diff --git a/Eawag/MSBNK-EAWAG-EC001501.txt b/Eawag/MSBNK-EAWAG-EC001501.txt
new file mode 100644
index 0000000000..e094e941eb
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC001501.txt
@@ -0,0 +1,68 @@
+ACCESSION: MSBNK-EAWAG-EC001501
+RECORD_TITLE: Nocuolin A; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1371/journal.pone.0172850 ;10.1002/ange.202015105; 10.1002/anie.202015105
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 15
+CH$NAME: Nocuolin A
+CH$NAME: 1-(4,6-dipentyl-5,6-dihydro-2H-1,2,3-oxadiazin-2-yl)-3-hydroxypropan-1-one
+CH$NAME: 1-(4,6-dipentyl-5,6-dihydrooxadiazin-2-yl)-3-hydroxypropan-1-one
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C16H30N2O3
+CH$EXACT_MASS: 298.2256428
+CH$SMILES: CCCCCC1CC(CCCCC)=NN(C(CCO)=O)O1
+CH$IUPAC: InChI=1S/C16H30N2O3/c1-3-5-7-9-14-13-15(10-8-6-4-2)21-18(17-14)16(20)11-12-19/h15,19H,3-13H2,1-2H3
+CH$LINK: PUBCHEM CID:129017397
+CH$LINK: INCHIKEY MPGIDXBHXRMMSY-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 111054822
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-326
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 11.908 min
+MS$FOCUSED_ION: BASE_PEAK 299.2319
+MS$FOCUSED_ION: PRECURSOR_M/Z 299.2329
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0002-6290000000-f8a090bd11f15d4b70e6
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  55.0543 C4H7+ 1 55.0542 0.6
+  57.0699 C4H9+ 1 57.0699 0.34
+  69.0698 C5H9+ 1 69.0699 -0.54
+  71.0855 C5H11+ 1 71.0855 -0.36
+  73.0284 C3H5O2+ 1 73.0284 -0.3
+  83.0855 C6H11+ 1 83.0855 -0.06
+  97.1012 C7H13+ 1 97.1012 0.25
+  99.0804 C6H11O+ 1 99.0804 -0.25
+  110.0962 C7H12N+ 1 110.0964 -1.79
+  127.1229 C7H15N2+ 1 127.123 -0.28
+  199.1436 C10H19N2O2+ 1 199.1441 -2.42
+  299.2321 C16H31N2O3+ 1 299.2329 -2.8
+PK$NUM_PEAK: 12
+PK$PEAK: m/z int. rel.int.
+  55.0543 21231348 59
+  57.0699 18474012 51
+  69.0698 64281156 180
+  71.0855 9687035 27
+  73.0284 55188012 154
+  83.0855 53303020 149
+  97.1012 30028326 84
+  99.0804 13784239 38
+  110.0962 15433012 43
+  127.1229 31704298 88
+  199.1436 51904204 145
+  299.2321 355959616 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC001502.txt b/Eawag/MSBNK-EAWAG-EC001502.txt
new file mode 100644
index 0000000000..4f723b8006
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC001502.txt
@@ -0,0 +1,76 @@
+ACCESSION: MSBNK-EAWAG-EC001502
+RECORD_TITLE: Nocuolin A; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1371/journal.pone.0172850 ;10.1002/ange.202015105; 10.1002/anie.202015105
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 15
+CH$NAME: Nocuolin A
+CH$NAME: 1-(4,6-dipentyl-5,6-dihydro-2H-1,2,3-oxadiazin-2-yl)-3-hydroxypropan-1-one
+CH$NAME: 1-(4,6-dipentyl-5,6-dihydrooxadiazin-2-yl)-3-hydroxypropan-1-one
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C16H30N2O3
+CH$EXACT_MASS: 298.2256428
+CH$SMILES: CCCCCC1CC(CCCCC)=NN(C(CCO)=O)O1
+CH$IUPAC: InChI=1S/C16H30N2O3/c1-3-5-7-9-14-13-15(10-8-6-4-2)21-18(17-14)16(20)11-12-19/h15,19H,3-13H2,1-2H3
+CH$LINK: PUBCHEM CID:129017397
+CH$LINK: INCHIKEY MPGIDXBHXRMMSY-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 111054822
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-326
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 11.908 min
+MS$FOCUSED_ION: BASE_PEAK 299.2319
+MS$FOCUSED_ION: PRECURSOR_M/Z 299.2329
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0002-9550000000-f9891c3ed9a96586484c
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  55.0542 C4H7+ 1 55.0542 0.39
+  57.0699 C4H9+ 1 57.0699 1.07
+  69.0699 C5H9+ 1 69.0699 0.67
+  71.0856 C5H11+ 1 71.0855 0.82
+  73.0285 C3H5O2+ 1 73.0284 0.85
+  83.0856 C6H11+ 1 83.0855 0.31
+  97.1012 C7H13+ 1 97.1012 0.64
+  99.0804 C6H11O+ 1 99.0804 -0.4
+  110.0964 C7H12N+ 1 110.0964 -0.61
+  115.0752 C6H11O2+ 1 115.0754 -1.58
+  127.123 C7H15N2+ 1 127.123 -0.16
+  129.0659 C5H9N2O2+ 1 129.0659 0.44
+  181.1334 C10H17N2O+ 1 181.1335 -0.76
+  199.144 C10H19N2O2+ 1 199.1441 -0.35
+  227.2114 C13H27N2O+ 1 227.2118 -1.59
+  299.2323 C16H31N2O3+ 1 299.2329 -2.18
+PK$NUM_PEAK: 16
+PK$PEAK: m/z int. rel.int.
+  55.0542 41884264 231
+  57.0699 22417766 123
+  69.0699 96451088 532
+  71.0856 10122489 55
+  73.0285 75889488 419
+  83.0856 61808964 341
+  97.1012 31650948 174
+  99.0804 16415046 90
+  110.0964 33387502 184
+  115.0752 7387156 40
+  127.123 72429944 400
+  129.0659 11699089 64
+  181.1334 13506045 74
+  199.144 72631328 401
+  227.2114 24186996 133
+  299.2323 180796832 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC001503.txt b/Eawag/MSBNK-EAWAG-EC001503.txt
new file mode 100644
index 0000000000..83133cb804
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC001503.txt
@@ -0,0 +1,72 @@
+ACCESSION: MSBNK-EAWAG-EC001503
+RECORD_TITLE: Nocuolin A; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1371/journal.pone.0172850 ;10.1002/ange.202015105; 10.1002/anie.202015105
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 15
+CH$NAME: Nocuolin A
+CH$NAME: 1-(4,6-dipentyl-5,6-dihydro-2H-1,2,3-oxadiazin-2-yl)-3-hydroxypropan-1-one
+CH$NAME: 1-(4,6-dipentyl-5,6-dihydrooxadiazin-2-yl)-3-hydroxypropan-1-one
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C16H30N2O3
+CH$EXACT_MASS: 298.2256428
+CH$SMILES: CCCCCC1CC(CCCCC)=NN(C(CCO)=O)O1
+CH$IUPAC: InChI=1S/C16H30N2O3/c1-3-5-7-9-14-13-15(10-8-6-4-2)21-18(17-14)16(20)11-12-19/h15,19H,3-13H2,1-2H3
+CH$LINK: PUBCHEM CID:129017397
+CH$LINK: INCHIKEY MPGIDXBHXRMMSY-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 111054822
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-326
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 11.908 min
+MS$FOCUSED_ION: BASE_PEAK 299.2319
+MS$FOCUSED_ION: PRECURSOR_M/Z 299.2329
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-05vk-9510000000-15899d3c04bc8fee0cb1
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  45.0336 C2H5O+ 1 45.0335 2.49
+  55.0542 C4H7+ 1 55.0542 0.12
+  57.0699 C4H9+ 1 57.0699 0.4
+  69.0699 C5H9+ 1 69.0699 0.45
+  71.0855 C5H11+ 1 71.0855 -1
+  73.0284 C3H5O2+ 1 73.0284 0.43
+  82.0651 C5H8N+ 1 82.0651 -0.65
+  83.0856 C6H11+ 1 83.0855 0.76
+  97.1011 C7H13+ 1 97.1012 -0.62
+  110.0965 C7H12N+ 1 110.0964 0.29
+  127.123 C7H15N2+ 1 127.123 0.32
+  129.0658 C5H9N2O2+ 1 129.0659 -0.27
+  199.1436 C10H19N2O2+ 1 199.1441 -2.34
+  299.2324 C16H31N2O3+ 1 299.2329 -1.57
+PK$NUM_PEAK: 14
+PK$PEAK: m/z int. rel.int.
+  45.0336 5889910.5 54
+  55.0542 60323048 554
+  57.0699 22040756 202
+  69.0699 103690984 953
+  71.0855 17004278 156
+  73.0284 81208432 746
+  82.0651 16488373 151
+  83.0856 57920168 532
+  97.1011 28927616 265
+  110.0965 53109388 488
+  127.123 108678120 999
+  129.0658 17926412 164
+  199.1436 71696728 659
+  299.2324 53616852 492
+//
diff --git a/Eawag/MSBNK-EAWAG-EC001504.txt b/Eawag/MSBNK-EAWAG-EC001504.txt
new file mode 100644
index 0000000000..913524fcd4
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC001504.txt
@@ -0,0 +1,74 @@
+ACCESSION: MSBNK-EAWAG-EC001504
+RECORD_TITLE: Nocuolin A; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1371/journal.pone.0172850 ;10.1002/ange.202015105; 10.1002/anie.202015105
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 15
+CH$NAME: Nocuolin A
+CH$NAME: 1-(4,6-dipentyl-5,6-dihydro-2H-1,2,3-oxadiazin-2-yl)-3-hydroxypropan-1-one
+CH$NAME: 1-(4,6-dipentyl-5,6-dihydrooxadiazin-2-yl)-3-hydroxypropan-1-one
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C16H30N2O3
+CH$EXACT_MASS: 298.2256428
+CH$SMILES: CCCCCC1CC(CCCCC)=NN(C(CCO)=O)O1
+CH$IUPAC: InChI=1S/C16H30N2O3/c1-3-5-7-9-14-13-15(10-8-6-4-2)21-18(17-14)16(20)11-12-19/h15,19H,3-13H2,1-2H3
+CH$LINK: PUBCHEM CID:129017397
+CH$LINK: INCHIKEY MPGIDXBHXRMMSY-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 111054822
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-326
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 11.908 min
+MS$FOCUSED_ION: BASE_PEAK 299.2319
+MS$FOCUSED_ION: PRECURSOR_M/Z 299.2329
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-07na-9500000000-dde811e9363db6de1fb9
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  45.0335 C2H5O+ 1 45.0335 0.97
+  55.0542 C4H7+ 1 55.0542 -0.16
+  57.0699 C4H9+ 1 57.0699 -0.13
+  69.0699 C5H9+ 1 69.0699 0.45
+  73.0284 C3H5O2+ 1 73.0284 0.53
+  82.0652 C5H8N+ 1 82.0651 0.37
+  83.0856 C6H11+ 1 83.0855 0.4
+  93.0702 C7H9+ 1 93.0699 3.91
+  97.1012 C7H13+ 1 97.1012 -0.07
+  99.0802 C6H11O+ 1 99.0804 -1.94
+  110.0964 C7H12N+ 1 110.0964 -0.33
+  127.123 C7H15N2+ 1 127.123 -0.04
+  129.066 C5H9N2O2+ 1 129.0659 1.15
+  181.1333 C10H17N2O+ 1 181.1335 -1.43
+  199.1439 C10H19N2O2+ 1 199.1441 -1.19
+PK$NUM_PEAK: 15
+PK$PEAK: m/z int. rel.int.
+  45.0335 9600773 83
+  55.0542 79675560 692
+  57.0699 22660476 196
+  69.0699 113210136 984
+  73.0284 85611872 744
+  82.0652 26033550 226
+  83.0856 52883784 459
+  93.0702 6864699 59
+  97.1012 20104316 174
+  99.0802 14675253 127
+  110.0964 66038400 574
+  127.123 114922664 999
+  129.066 16057752 139
+  181.1333 16254270 141
+  199.1439 53767516 467
+//
diff --git a/Eawag/MSBNK-EAWAG-EC001505.txt b/Eawag/MSBNK-EAWAG-EC001505.txt
new file mode 100644
index 0000000000..a316b956e5
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC001505.txt
@@ -0,0 +1,70 @@
+ACCESSION: MSBNK-EAWAG-EC001505
+RECORD_TITLE: Nocuolin A; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1371/journal.pone.0172850 ;10.1002/ange.202015105; 10.1002/anie.202015105
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 15
+CH$NAME: Nocuolin A
+CH$NAME: 1-(4,6-dipentyl-5,6-dihydro-2H-1,2,3-oxadiazin-2-yl)-3-hydroxypropan-1-one
+CH$NAME: 1-(4,6-dipentyl-5,6-dihydrooxadiazin-2-yl)-3-hydroxypropan-1-one
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C16H30N2O3
+CH$EXACT_MASS: 298.2256428
+CH$SMILES: CCCCCC1CC(CCCCC)=NN(C(CCO)=O)O1
+CH$IUPAC: InChI=1S/C16H30N2O3/c1-3-5-7-9-14-13-15(10-8-6-4-2)21-18(17-14)16(20)11-12-19/h15,19H,3-13H2,1-2H3
+CH$LINK: PUBCHEM CID:129017397
+CH$LINK: INCHIKEY MPGIDXBHXRMMSY-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 111054822
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-326
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 11.908 min
+MS$FOCUSED_ION: BASE_PEAK 299.2319
+MS$FOCUSED_ION: PRECURSOR_M/Z 299.2329
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0cn9-9400000000-5fa78561693667314dd0
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  55.0543 C4H7+ 1 55.0542 0.46
+  57.0699 C4H9+ 1 57.0699 0.94
+  69.0699 C5H9+ 1 69.0699 0.45
+  71.0856 C5H11+ 1 71.0855 0.5
+  72.0809 C4H10N+ 1 72.0808 1.34
+  73.0284 C3H5O2+ 1 73.0284 0.33
+  82.0651 C5H8N+ 1 82.0651 -0.19
+  83.0855 C6H11+ 1 83.0855 0.21
+  93.0703 C7H9+ 1 93.0699 4.07
+  110.0964 C7H12N+ 1 110.0964 -0.33
+  127.123 C7H15N2+ 1 127.123 0.08
+  129.066 C5H9N2O2+ 1 129.0659 1.39
+  199.1441 C10H19N2O2+ 1 199.1441 0.11
+PK$NUM_PEAK: 13
+PK$PEAK: m/z int. rel.int.
+  55.0543 91241392 907
+  57.0699 16332873 162
+  69.0699 100412040 999
+  71.0856 15017332 149
+  72.0809 5084782.5 50
+  73.0284 80306880 798
+  82.0651 37279824 370
+  83.0855 40515604 403
+  93.0703 12315182 122
+  110.0964 58941352 586
+  127.123 91243168 907
+  129.066 12388839 123
+  199.1441 19186808 190
+//
diff --git a/Eawag/MSBNK-EAWAG-EC001506.txt b/Eawag/MSBNK-EAWAG-EC001506.txt
new file mode 100644
index 0000000000..99f2886bf7
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC001506.txt
@@ -0,0 +1,72 @@
+ACCESSION: MSBNK-EAWAG-EC001506
+RECORD_TITLE: Nocuolin A; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1371/journal.pone.0172850 ;10.1002/ange.202015105; 10.1002/anie.202015105
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 15
+CH$NAME: Nocuolin A
+CH$NAME: 1-(4,6-dipentyl-5,6-dihydro-2H-1,2,3-oxadiazin-2-yl)-3-hydroxypropan-1-one
+CH$NAME: 1-(4,6-dipentyl-5,6-dihydrooxadiazin-2-yl)-3-hydroxypropan-1-one
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C16H30N2O3
+CH$EXACT_MASS: 298.2256428
+CH$SMILES: CCCCCC1CC(CCCCC)=NN(C(CCO)=O)O1
+CH$IUPAC: InChI=1S/C16H30N2O3/c1-3-5-7-9-14-13-15(10-8-6-4-2)21-18(17-14)16(20)11-12-19/h15,19H,3-13H2,1-2H3
+CH$LINK: PUBCHEM CID:129017397
+CH$LINK: INCHIKEY MPGIDXBHXRMMSY-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 111054822
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-326
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 11.908 min
+MS$FOCUSED_ION: BASE_PEAK 299.2319
+MS$FOCUSED_ION: PRECURSOR_M/Z 299.2329
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0cl0-9200000000-287399bc60ffa2f990c4
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  45.0334 C2H5O+ 1 45.0335 -1.06
+  55.018 C3H3O+ 1 55.0178 2.42
+  55.0542 C4H7+ 1 55.0542 0.25
+  68.0495 C4H6N+ 1 68.0495 0.74
+  69.0699 C5H9+ 1 69.0699 0.78
+  70.0651 C4H8N+ 1 70.0651 0.24
+  71.0604 C3H7N2+ 1 71.0604 0.9
+  73.0285 C3H5O2+ 1 73.0284 1.06
+  82.0652 C5H8N+ 1 82.0651 0.37
+  83.0855 C6H11+ 1 83.0855 -0.06
+  110.0965 C7H12N+ 1 110.0964 0.43
+  111.0552 C5H7N2O+ 1 111.0553 -1.11
+  127.123 C7H15N2+ 1 127.123 0.56
+  129.0662 C5H9N2O2+ 1 129.0659 2.69
+PK$NUM_PEAK: 14
+PK$PEAK: m/z int. rel.int.
+  45.0334 17225612 170
+  55.018 9315836 92
+  55.0542 101015216 999
+  68.0495 7550078 74
+  69.0699 78285368 774
+  70.0651 13575255 134
+  71.0604 7464072 73
+  73.0285 70447640 696
+  82.0652 39060820 386
+  83.0855 16490096 163
+  110.0965 41192496 407
+  111.0552 13384875 132
+  127.123 47707724 471
+  129.0662 8815438 87
+//
diff --git a/Eawag/MSBNK-EAWAG-EC001507.txt b/Eawag/MSBNK-EAWAG-EC001507.txt
new file mode 100644
index 0000000000..192648e5bf
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC001507.txt
@@ -0,0 +1,68 @@
+ACCESSION: MSBNK-EAWAG-EC001507
+RECORD_TITLE: Nocuolin A; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1371/journal.pone.0172850 ;10.1002/ange.202015105; 10.1002/anie.202015105
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 15
+CH$NAME: Nocuolin A
+CH$NAME: 1-(4,6-dipentyl-5,6-dihydro-2H-1,2,3-oxadiazin-2-yl)-3-hydroxypropan-1-one
+CH$NAME: 1-(4,6-dipentyl-5,6-dihydrooxadiazin-2-yl)-3-hydroxypropan-1-one
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C16H30N2O3
+CH$EXACT_MASS: 298.2256428
+CH$SMILES: CCCCCC1CC(CCCCC)=NN(C(CCO)=O)O1
+CH$IUPAC: InChI=1S/C16H30N2O3/c1-3-5-7-9-14-13-15(10-8-6-4-2)21-18(17-14)16(20)11-12-19/h15,19H,3-13H2,1-2H3
+CH$LINK: PUBCHEM CID:129017397
+CH$LINK: INCHIKEY MPGIDXBHXRMMSY-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 111054822
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-326
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 11.908 min
+MS$FOCUSED_ION: BASE_PEAK 299.2319
+MS$FOCUSED_ION: PRECURSOR_M/Z 299.2329
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0avi-9100000000-f38c506871fdd84dd846
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  42.0338 C2H4N+ 1 42.0338 -0.18
+  45.0335 C2H5O+ 1 45.0335 0.8
+  55.0179 C3H3O+ 1 55.0178 1.38
+  55.0543 C4H7+ 1 55.0542 0.46
+  68.0496 C4H6N+ 1 68.0495 1.75
+  69.0699 C5H9+ 1 69.0699 0.67
+  70.0653 C4H8N+ 1 70.0651 2.75
+  73.0284 C3H5O2+ 1 73.0284 0.01
+  82.0652 C5H8N+ 1 82.0651 1.39
+  93.0699 C7H9+ 1 93.0699 0.14
+  110.0963 C7H12N+ 1 110.0964 -1.24
+  127.1233 C7H15N2+ 1 127.123 2.66
+PK$NUM_PEAK: 12
+PK$PEAK: m/z int. rel.int.
+  42.0338 6567261 61
+  45.0335 24734952 232
+  55.0179 12087870 113
+  55.0543 106428984 999
+  68.0496 11428304 107
+  69.0699 64657768 606
+  70.0653 10000193 93
+  73.0284 60852016 571
+  82.0652 42206168 396
+  93.0699 7399816 69
+  110.0963 26772890 251
+  127.1233 20096816 188
+//
diff --git a/Eawag/MSBNK-EAWAG-EC001508.txt b/Eawag/MSBNK-EAWAG-EC001508.txt
new file mode 100644
index 0000000000..ad83abc422
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC001508.txt
@@ -0,0 +1,70 @@
+ACCESSION: MSBNK-EAWAG-EC001508
+RECORD_TITLE: Nocuolin A; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1371/journal.pone.0172850 ;10.1002/ange.202015105; 10.1002/anie.202015105
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 15
+CH$NAME: Nocuolin A
+CH$NAME: 1-(4,6-dipentyl-5,6-dihydro-2H-1,2,3-oxadiazin-2-yl)-3-hydroxypropan-1-one
+CH$NAME: 1-(4,6-dipentyl-5,6-dihydrooxadiazin-2-yl)-3-hydroxypropan-1-one
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C16H30N2O3
+CH$EXACT_MASS: 298.2256428
+CH$SMILES: CCCCCC1CC(CCCCC)=NN(C(CCO)=O)O1
+CH$IUPAC: InChI=1S/C16H30N2O3/c1-3-5-7-9-14-13-15(10-8-6-4-2)21-18(17-14)16(20)11-12-19/h15,19H,3-13H2,1-2H3
+CH$LINK: PUBCHEM CID:129017397
+CH$LINK: INCHIKEY MPGIDXBHXRMMSY-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 111054822
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-326
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 11.908 min
+MS$FOCUSED_ION: BASE_PEAK 299.2319
+MS$FOCUSED_ION: PRECURSOR_M/Z 299.2329
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0ab9-9000000000-95279bfff9462d5bd741
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  43.0179 C2H3O+ 1 43.0178 0.66
+  45.0335 C2H5O+ 1 45.0335 -0.3
+  55.0179 C3H3O+ 1 55.0178 1.59
+  55.0542 C4H7+ 1 55.0542 0.19
+  56.0497 C3H6N+ 1 56.0495 3.99
+  69.0699 C5H9+ 1 69.0699 -0.1
+  70.0653 C4H8N+ 1 70.0651 1.99
+  71.0605 C3H7N2+ 1 71.0604 1.65
+  72.081 C4H10N+ 1 72.0808 3.45
+  73.0285 C3H5O2+ 1 73.0284 0.74
+  82.0651 C5H8N+ 1 82.0651 -0.65
+  91.0542 C7H7+ 1 91.0542 -0.45
+  111.0554 C5H7N2O+ 1 111.0553 0.88
+PK$NUM_PEAK: 13
+PK$PEAK: m/z int. rel.int.
+  43.0179 9451355 97
+  45.0335 27611752 284
+  55.0179 8963953 92
+  55.0542 96828856 999
+  56.0497 7799598.5 80
+  69.0699 37122484 382
+  70.0653 9127235 94
+  71.0605 11341102 117
+  72.081 9944271 102
+  73.0285 39506092 407
+  82.0651 33724548 347
+  91.0542 4331572.5 44
+  111.0554 7939841.5 81
+//
diff --git a/Eawag/MSBNK-EAWAG-EC001509.txt b/Eawag/MSBNK-EAWAG-EC001509.txt
new file mode 100644
index 0000000000..e4ac5a1937
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC001509.txt
@@ -0,0 +1,64 @@
+ACCESSION: MSBNK-EAWAG-EC001509
+RECORD_TITLE: Nocuolin A; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1371/journal.pone.0172850 ;10.1002/ange.202015105; 10.1002/anie.202015105
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 15
+CH$NAME: Nocuolin A
+CH$NAME: 1-(4,6-dipentyl-5,6-dihydro-2H-1,2,3-oxadiazin-2-yl)-3-hydroxypropan-1-one
+CH$NAME: 1-(4,6-dipentyl-5,6-dihydrooxadiazin-2-yl)-3-hydroxypropan-1-one
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C16H30N2O3
+CH$EXACT_MASS: 298.2256428
+CH$SMILES: CCCCCC1CC(CCCCC)=NN(C(CCO)=O)O1
+CH$IUPAC: InChI=1S/C16H30N2O3/c1-3-5-7-9-14-13-15(10-8-6-4-2)21-18(17-14)16(20)11-12-19/h15,19H,3-13H2,1-2H3
+CH$LINK: PUBCHEM CID:129017397
+CH$LINK: INCHIKEY MPGIDXBHXRMMSY-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 111054822
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-326
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 11.908 min
+MS$FOCUSED_ION: BASE_PEAK 299.2319
+MS$FOCUSED_ION: PRECURSOR_M/Z 299.2329
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0a4i-9000000000-9a81d2a032a5182f6f88
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  45.0335 C2H5O+ 1 45.0335 0.38
+  55.018 C3H3O+ 1 55.0178 2.7
+  55.0543 C4H7+ 1 55.0542 0.88
+  56.0497 C3H6N+ 1 56.0495 3.17
+  58.0653 C3H8N+ 1 58.0651 3.28
+  68.0496 C4H6N+ 1 68.0495 2.2
+  69.045 C3H5N2+ 1 69.0447 3.29
+  69.0699 C5H9+ 1 69.0699 0.12
+  73.0285 C3H5O2+ 1 73.0284 1.79
+  82.0652 C5H8N+ 1 82.0651 0.93
+PK$NUM_PEAK: 10
+PK$PEAK: m/z int. rel.int.
+  45.0335 25702016 289
+  55.018 10187495 114
+  55.0543 88792872 999
+  56.0497 6646740 74
+  58.0653 8248698.5 92
+  68.0496 11186781 125
+  69.045 4347094.5 48
+  69.0699 23608180 265
+  73.0285 22017464 247
+  82.0652 27917694 314
+//
diff --git a/Eawag/MSBNK-EAWAG-EC001551.txt b/Eawag/MSBNK-EAWAG-EC001551.txt
new file mode 100644
index 0000000000..c17398a5fd
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC001551.txt
@@ -0,0 +1,54 @@
+ACCESSION: MSBNK-EAWAG-EC001551
+RECORD_TITLE: Nocuolin A; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1371/journal.pone.0172850 ;10.1002/ange.202015105; 10.1002/anie.202015105
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 15
+CH$NAME: Nocuolin A
+CH$NAME: 1-(4,6-dipentyl-5,6-dihydro-2H-1,2,3-oxadiazin-2-yl)-3-hydroxypropan-1-one
+CH$NAME: 1-(4,6-dipentyl-5,6-dihydrooxadiazin-2-yl)-3-hydroxypropan-1-one
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C16H30N2O3
+CH$EXACT_MASS: 298.2256428
+CH$SMILES: CCCCCC1CC(CCCCC)=NN(C(CCO)=O)O1
+CH$IUPAC: InChI=1S/C16H30N2O3/c1-3-5-7-9-14-13-15(10-8-6-4-2)21-18(17-14)16(20)11-12-19/h15,19H,3-13H2,1-2H3
+CH$LINK: PUBCHEM CID:129017397
+CH$LINK: INCHIKEY MPGIDXBHXRMMSY-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 111054822
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-324
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 11.741 min
+MS$FOCUSED_ION: BASE_PEAK 487.2657
+MS$FOCUSED_ION: PRECURSOR_M/Z 297.2184
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0002-5590000000-2c257a80720d1286c8b6
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  40.0192 C2H2N- 1 40.0193 -2.72
+  99.0815 C6H11O- 1 99.0815 -0.8
+  112.1131 C7H14N- 1 112.1132 -0.43
+  136.113 C9H14N- 1 136.1132 -1.24
+  297.2176 C16H29N2O3- 1 297.2184 -2.44
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  40.0192 46537.6 14
+  99.0815 1746585.1 549
+  112.1131 1412814.2 444
+  136.113 520804.4 163
+  297.2176 3176951.5 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC001552.txt b/Eawag/MSBNK-EAWAG-EC001552.txt
new file mode 100644
index 0000000000..335347ac5f
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC001552.txt
@@ -0,0 +1,54 @@
+ACCESSION: MSBNK-EAWAG-EC001552
+RECORD_TITLE: Nocuolin A; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1371/journal.pone.0172850 ;10.1002/ange.202015105; 10.1002/anie.202015105
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 15
+CH$NAME: Nocuolin A
+CH$NAME: 1-(4,6-dipentyl-5,6-dihydro-2H-1,2,3-oxadiazin-2-yl)-3-hydroxypropan-1-one
+CH$NAME: 1-(4,6-dipentyl-5,6-dihydrooxadiazin-2-yl)-3-hydroxypropan-1-one
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C16H30N2O3
+CH$EXACT_MASS: 298.2256428
+CH$SMILES: CCCCCC1CC(CCCCC)=NN(C(CCO)=O)O1
+CH$IUPAC: InChI=1S/C16H30N2O3/c1-3-5-7-9-14-13-15(10-8-6-4-2)21-18(17-14)16(20)11-12-19/h15,19H,3-13H2,1-2H3
+CH$LINK: PUBCHEM CID:129017397
+CH$LINK: INCHIKEY MPGIDXBHXRMMSY-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 111054822
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-324
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 11.741 min
+MS$FOCUSED_ION: BASE_PEAK 487.2657
+MS$FOCUSED_ION: PRECURSOR_M/Z 297.2184
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-01ot-6930000000-98033a9d9f4680552603
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  40.0192 C2H2N- 1 40.0193 -1.86
+  99.0815 C6H11O- 1 99.0815 -0.42
+  112.1132 C7H14N- 1 112.1132 -0.09
+  136.1131 C9H14N- 1 136.1132 -0.68
+  297.2177 C16H29N2O3- 1 297.2184 -2.13
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  40.0192 55212.9 26
+  99.0815 1857932 908
+  112.1132 2043407.4 999
+  136.1131 765702.8 374
+  297.2177 1162582.6 568
+//
diff --git a/Eawag/MSBNK-EAWAG-EC001553.txt b/Eawag/MSBNK-EAWAG-EC001553.txt
new file mode 100644
index 0000000000..fec37152ba
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC001553.txt
@@ -0,0 +1,54 @@
+ACCESSION: MSBNK-EAWAG-EC001553
+RECORD_TITLE: Nocuolin A; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1371/journal.pone.0172850 ;10.1002/ange.202015105; 10.1002/anie.202015105
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 15
+CH$NAME: Nocuolin A
+CH$NAME: 1-(4,6-dipentyl-5,6-dihydro-2H-1,2,3-oxadiazin-2-yl)-3-hydroxypropan-1-one
+CH$NAME: 1-(4,6-dipentyl-5,6-dihydrooxadiazin-2-yl)-3-hydroxypropan-1-one
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C16H30N2O3
+CH$EXACT_MASS: 298.2256428
+CH$SMILES: CCCCCC1CC(CCCCC)=NN(C(CCO)=O)O1
+CH$IUPAC: InChI=1S/C16H30N2O3/c1-3-5-7-9-14-13-15(10-8-6-4-2)21-18(17-14)16(20)11-12-19/h15,19H,3-13H2,1-2H3
+CH$LINK: PUBCHEM CID:129017397
+CH$LINK: INCHIKEY MPGIDXBHXRMMSY-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 111054822
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-324
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 11.741 min
+MS$FOCUSED_ION: BASE_PEAK 487.2657
+MS$FOCUSED_ION: PRECURSOR_M/Z 297.2184
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03dj-5900000000-7f94b2e3828e31cc3583
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  40.0192 C2H2N- 1 40.0193 -1.29
+  56.0504 C3H6N- 1 56.0506 -2.24
+  99.0815 C6H11O- 1 99.0815 -0.42
+  112.1132 C7H14N- 1 112.1132 -0.16
+  136.1131 C9H14N- 1 136.1132 -0.45
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  40.0192 81528.1 39
+  56.0504 24435.9 11
+  99.0815 1520711.4 731
+  112.1132 2078053.5 999
+  136.1131 800215.8 384
+//
diff --git a/Eawag/MSBNK-EAWAG-EC001554.txt b/Eawag/MSBNK-EAWAG-EC001554.txt
new file mode 100644
index 0000000000..3590c85227
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC001554.txt
@@ -0,0 +1,54 @@
+ACCESSION: MSBNK-EAWAG-EC001554
+RECORD_TITLE: Nocuolin A; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1371/journal.pone.0172850 ;10.1002/ange.202015105; 10.1002/anie.202015105
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 15
+CH$NAME: Nocuolin A
+CH$NAME: 1-(4,6-dipentyl-5,6-dihydro-2H-1,2,3-oxadiazin-2-yl)-3-hydroxypropan-1-one
+CH$NAME: 1-(4,6-dipentyl-5,6-dihydrooxadiazin-2-yl)-3-hydroxypropan-1-one
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C16H30N2O3
+CH$EXACT_MASS: 298.2256428
+CH$SMILES: CCCCCC1CC(CCCCC)=NN(C(CCO)=O)O1
+CH$IUPAC: InChI=1S/C16H30N2O3/c1-3-5-7-9-14-13-15(10-8-6-4-2)21-18(17-14)16(20)11-12-19/h15,19H,3-13H2,1-2H3
+CH$LINK: PUBCHEM CID:129017397
+CH$LINK: INCHIKEY MPGIDXBHXRMMSY-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 111054822
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-324
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 11.741 min
+MS$FOCUSED_ION: BASE_PEAK 487.2657
+MS$FOCUSED_ION: PRECURSOR_M/Z 297.2184
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03dj-4900000000-42a804228ded632c0eda
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  40.0192 C2H2N- 1 40.0193 -0.91
+  56.0505 C3H6N- 1 56.0506 -1.29
+  99.0815 C6H11O- 1 99.0815 -0.8
+  112.1132 C7H14N- 1 112.1132 -0.16
+  136.1131 C9H14N- 1 136.1132 -0.9
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  40.0192 96775.8 49
+  56.0505 37578.4 19
+  99.0815 1173199.4 603
+  112.1132 1941324.2 999
+  136.1131 734848.6 378
+//
diff --git a/Eawag/MSBNK-EAWAG-EC001555.txt b/Eawag/MSBNK-EAWAG-EC001555.txt
new file mode 100644
index 0000000000..d56f8076d4
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC001555.txt
@@ -0,0 +1,56 @@
+ACCESSION: MSBNK-EAWAG-EC001555
+RECORD_TITLE: Nocuolin A; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1371/journal.pone.0172850 ;10.1002/ange.202015105; 10.1002/anie.202015105
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 15
+CH$NAME: Nocuolin A
+CH$NAME: 1-(4,6-dipentyl-5,6-dihydro-2H-1,2,3-oxadiazin-2-yl)-3-hydroxypropan-1-one
+CH$NAME: 1-(4,6-dipentyl-5,6-dihydrooxadiazin-2-yl)-3-hydroxypropan-1-one
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C16H30N2O3
+CH$EXACT_MASS: 298.2256428
+CH$SMILES: CCCCCC1CC(CCCCC)=NN(C(CCO)=O)O1
+CH$IUPAC: InChI=1S/C16H30N2O3/c1-3-5-7-9-14-13-15(10-8-6-4-2)21-18(17-14)16(20)11-12-19/h15,19H,3-13H2,1-2H3
+CH$LINK: PUBCHEM CID:129017397
+CH$LINK: INCHIKEY MPGIDXBHXRMMSY-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 111054822
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-324
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 11.741 min
+MS$FOCUSED_ION: BASE_PEAK 487.2657
+MS$FOCUSED_ION: PRECURSOR_M/Z 297.2184
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03ds-4900000000-1be6dc2277d4ed6e3325
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  40.0193 C2H2N- 1 40.0193 -0.24
+  56.0505 C3H6N- 1 56.0506 -0.88
+  80.0504 C5H6N- 1 80.0506 -1.6
+  99.0815 C6H11O- 1 99.0815 -0.65
+  112.1131 C7H14N- 1 112.1132 -0.36
+  136.1131 C9H14N- 1 136.1132 -0.79
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  40.0193 108572.8 80
+  56.0505 84240.3 62
+  80.0504 83816.9 61
+  99.0815 804746.4 593
+  112.1131 1355247.9 999
+  136.1131 678446.5 500
+//
diff --git a/Eawag/MSBNK-EAWAG-EC001556.txt b/Eawag/MSBNK-EAWAG-EC001556.txt
new file mode 100644
index 0000000000..cf074c72e7
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC001556.txt
@@ -0,0 +1,56 @@
+ACCESSION: MSBNK-EAWAG-EC001556
+RECORD_TITLE: Nocuolin A; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1371/journal.pone.0172850 ;10.1002/ange.202015105; 10.1002/anie.202015105
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 15
+CH$NAME: Nocuolin A
+CH$NAME: 1-(4,6-dipentyl-5,6-dihydro-2H-1,2,3-oxadiazin-2-yl)-3-hydroxypropan-1-one
+CH$NAME: 1-(4,6-dipentyl-5,6-dihydrooxadiazin-2-yl)-3-hydroxypropan-1-one
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C16H30N2O3
+CH$EXACT_MASS: 298.2256428
+CH$SMILES: CCCCCC1CC(CCCCC)=NN(C(CCO)=O)O1
+CH$IUPAC: InChI=1S/C16H30N2O3/c1-3-5-7-9-14-13-15(10-8-6-4-2)21-18(17-14)16(20)11-12-19/h15,19H,3-13H2,1-2H3
+CH$LINK: PUBCHEM CID:129017397
+CH$LINK: INCHIKEY MPGIDXBHXRMMSY-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 111054822
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-324
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 11.741 min
+MS$FOCUSED_ION: BASE_PEAK 487.2657
+MS$FOCUSED_ION: PRECURSOR_M/Z 297.2184
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03ds-7900000000-8593d6ee36abfac37e79
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  40.0192 C2H2N- 1 40.0193 -0.81
+  56.0506 C3H6N- 1 56.0506 -0.13
+  80.0506 C5H6N- 1 80.0506 -0.17
+  99.0815 C6H11O- 1 99.0815 -0.5
+  112.1131 C7H14N- 1 112.1132 -0.56
+  136.113 C9H14N- 1 136.1132 -1.13
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  40.0192 110255.1 163
+  56.0506 119939.8 177
+  80.0506 189352.1 280
+  99.0815 481535.3 712
+  112.1131 675460.5 999
+  136.113 452563.5 669
+//
diff --git a/Eawag/MSBNK-EAWAG-EC001557.txt b/Eawag/MSBNK-EAWAG-EC001557.txt
new file mode 100644
index 0000000000..42417cf4aa
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC001557.txt
@@ -0,0 +1,56 @@
+ACCESSION: MSBNK-EAWAG-EC001557
+RECORD_TITLE: Nocuolin A; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1371/journal.pone.0172850 ;10.1002/ange.202015105; 10.1002/anie.202015105
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 15
+CH$NAME: Nocuolin A
+CH$NAME: 1-(4,6-dipentyl-5,6-dihydro-2H-1,2,3-oxadiazin-2-yl)-3-hydroxypropan-1-one
+CH$NAME: 1-(4,6-dipentyl-5,6-dihydrooxadiazin-2-yl)-3-hydroxypropan-1-one
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C16H30N2O3
+CH$EXACT_MASS: 298.2256428
+CH$SMILES: CCCCCC1CC(CCCCC)=NN(C(CCO)=O)O1
+CH$IUPAC: InChI=1S/C16H30N2O3/c1-3-5-7-9-14-13-15(10-8-6-4-2)21-18(17-14)16(20)11-12-19/h15,19H,3-13H2,1-2H3
+CH$LINK: PUBCHEM CID:129017397
+CH$LINK: INCHIKEY MPGIDXBHXRMMSY-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 111054822
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-324
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 11.741 min
+MS$FOCUSED_ION: BASE_PEAK 487.2657
+MS$FOCUSED_ION: PRECURSOR_M/Z 297.2184
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-01pt-9600000000-eb28c6b88f857114256b
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  40.0192 C2H2N- 1 40.0193 -1.67
+  56.0506 C3H6N- 1 56.0506 1.16
+  80.0505 C5H6N- 1 80.0506 -0.74
+  99.0815 C6H11O- 1 99.0815 -0.42
+  112.1131 C7H14N- 1 112.1132 -0.5
+  136.1131 C9H14N- 1 136.1132 -0.57
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  40.0192 130107.7 448
+  56.0506 93034.9 320
+  80.0505 254814.5 878
+  99.0815 289703.2 999
+  112.1131 283933.2 979
+  136.1131 278465.1 960
+//
diff --git a/Eawag/MSBNK-EAWAG-EC001558.txt b/Eawag/MSBNK-EAWAG-EC001558.txt
new file mode 100644
index 0000000000..e36f1fc528
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC001558.txt
@@ -0,0 +1,56 @@
+ACCESSION: MSBNK-EAWAG-EC001558
+RECORD_TITLE: Nocuolin A; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1371/journal.pone.0172850 ;10.1002/ange.202015105; 10.1002/anie.202015105
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 15
+CH$NAME: Nocuolin A
+CH$NAME: 1-(4,6-dipentyl-5,6-dihydro-2H-1,2,3-oxadiazin-2-yl)-3-hydroxypropan-1-one
+CH$NAME: 1-(4,6-dipentyl-5,6-dihydrooxadiazin-2-yl)-3-hydroxypropan-1-one
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C16H30N2O3
+CH$EXACT_MASS: 298.2256428
+CH$SMILES: CCCCCC1CC(CCCCC)=NN(C(CCO)=O)O1
+CH$IUPAC: InChI=1S/C16H30N2O3/c1-3-5-7-9-14-13-15(10-8-6-4-2)21-18(17-14)16(20)11-12-19/h15,19H,3-13H2,1-2H3
+CH$LINK: PUBCHEM CID:129017397
+CH$LINK: INCHIKEY MPGIDXBHXRMMSY-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 111054822
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-324
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 11.741 min
+MS$FOCUSED_ION: BASE_PEAK 487.2657
+MS$FOCUSED_ION: PRECURSOR_M/Z 297.2184
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-001m-9200000000-f6434ca81b4021a3da15
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  40.0192 C2H2N- 1 40.0193 -1.19
+  56.0505 C3H6N- 1 56.0506 -0.95
+  80.0505 C5H6N- 1 80.0506 -0.36
+  99.0816 C6H11O- 1 99.0815 0.2
+  112.1133 C7H14N- 1 112.1132 1.41
+  136.1132 C9H14N- 1 136.1132 0.33
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  40.0192 160535.4 520
+  56.0505 62022.3 201
+  80.0505 307853.5 999
+  99.0816 164114.6 532
+  112.1133 96997.3 314
+  136.1132 125731.9 408
+//
diff --git a/Eawag/MSBNK-EAWAG-EC001559.txt b/Eawag/MSBNK-EAWAG-EC001559.txt
new file mode 100644
index 0000000000..001553ed66
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC001559.txt
@@ -0,0 +1,52 @@
+ACCESSION: MSBNK-EAWAG-EC001559
+RECORD_TITLE: Nocuolin A; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1371/journal.pone.0172850 ;10.1002/ange.202015105; 10.1002/anie.202015105
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 15
+CH$NAME: Nocuolin A
+CH$NAME: 1-(4,6-dipentyl-5,6-dihydro-2H-1,2,3-oxadiazin-2-yl)-3-hydroxypropan-1-one
+CH$NAME: 1-(4,6-dipentyl-5,6-dihydrooxadiazin-2-yl)-3-hydroxypropan-1-one
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C16H30N2O3
+CH$EXACT_MASS: 298.2256428
+CH$SMILES: CCCCCC1CC(CCCCC)=NN(C(CCO)=O)O1
+CH$IUPAC: InChI=1S/C16H30N2O3/c1-3-5-7-9-14-13-15(10-8-6-4-2)21-18(17-14)16(20)11-12-19/h15,19H,3-13H2,1-2H3
+CH$LINK: PUBCHEM CID:129017397
+CH$LINK: INCHIKEY MPGIDXBHXRMMSY-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 111054822
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-324
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 11.741 min
+MS$FOCUSED_ION: BASE_PEAK 487.2657
+MS$FOCUSED_ION: PRECURSOR_M/Z 297.2184
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-001i-9000000000-ada7301a337051c171c6
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  56.0506 C3H6N- 1 56.0506 0.35
+  80.0505 C5H6N- 1 80.0506 -0.46
+  99.0815 C6H11O- 1 99.0815 -0.42
+  136.1132 C9H14N- 1 136.1132 -0.01
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  56.0506 57551 186
+  80.0505 308641.1 999
+  99.0815 79684.1 257
+  136.1132 44213.8 143
+//
diff --git a/Eawag/MSBNK-EAWAG-EC004101.txt b/Eawag/MSBNK-EAWAG-EC004101.txt
new file mode 100644
index 0000000000..628014094c
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC004101.txt
@@ -0,0 +1,44 @@
+ACCESSION: MSBNK-EAWAG-EC004101
+RECORD_TITLE: Portoamide A; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1073/pnas.0914343107
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 41
+CH$NAME: Portoamide A
+CH$NAME: 1-((6R,9S,15S,18R,20aS,25aS,34R,40aS,E)-34-(3-amino-3-oxopropyl)-18-((S)-sec-butyl)-12-ethylidene-37-hydroxy-9-((R)-1-hydroxyethyl)-15-(hydroxymethyl)-6-(4-methoxyphenethyl)-5,8,11,14,17,20,25,30,33,36,40-undecaoxooctatriacontahydro-1H,25H-tripyrrolo[1,2-b1:1`,2`-g:1``,2``-j][1,4,7,10,13,16,19,22,25,28,31]undecaazacyclotetratriacontin-38-yl)-4,5-dihydroxy-7-methyloctan-2-yl N-acetyl-N-methyl-L-tyrosinate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C74H109N13O22
+CH$EXACT_MASS: 1531.781012
+CH$SMILES: O=C(NCC(N1[C@H](C(N2[C@H](C(N[C@@H](C(N[C@H](C(N/C(C(N[C@H](C(N[C@@H](C(N3[C@H](C(NC(C4O)CC(CC(C(CC(C)C)O)O)OC([C@@H](N(C(C)=O)C)CC5=CC=C(C=C5)O)=O)=O)CCC3)=O)CCC6=CC=C(OC)C=C6)=O)[C@H](O)C)=O)=C/C)=O)CO)=O)[C@H](CC)C)=O)CCC2)=O)CCC1)=O)[C@H](NC4=O)CCC(N)=O
+CH$IUPAC: InChI=1S/C74H109N13O22/c1-10-40(5)61-69(102)81-52(38-88)66(99)77-48(11-2)65(98)83-62(41(6)89)70(103)79-50(27-22-43-20-25-46(108-9)26-21-43)72(105)86-31-12-15-53(86)67(100)80-51(35-47(36-58(93)57(92)33-39(3)4)109-74(107)56(84(8)42(7)90)34-44-18-23-45(91)24-19-44)63(96)71(104)78-49(28-29-59(75)94)64(97)76-37-60(95)85-30-14-17-55(85)73(106)87-32-13-16-54(87)68(101)82-61/h11,18-21,23-26,39-41,47,49-58,61-63,88-89,91-93,96H,10,12-17,22,27-38H2,1-9H3,(H2,75,94)(H,76,97)(H,77,99)(H,78,104)(H,79,103)(H,80,100)(H,81,102)(H,82,101)(H,83,98)/b48-11+/t40-,41+,47?,49+,50+,51?,52-,53-,54-,55-,56-,57?,58?,61+,62-,63?/m0/s1
+CH$LINK: PUBCHEM CID:146683713
+CH$LINK: INCHIKEY IURIYLBJXOYFRR-CFLUNQOMSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1584
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.055 min
+MS$FOCUSED_ION: BASE_PEAK 766.8971
+MS$FOCUSED_ION: PRECURSOR_M/Z 1532.7883
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-001i-0000090000-b40ef50403b6b5c1e491
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  1532.7908 C74H110N13O22+ 1 1532.7883 1.61
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  1532.7908 3094126.8 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC004102.txt b/Eawag/MSBNK-EAWAG-EC004102.txt
new file mode 100644
index 0000000000..62488423c2
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC004102.txt
@@ -0,0 +1,46 @@
+ACCESSION: MSBNK-EAWAG-EC004102
+RECORD_TITLE: Portoamide A; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1073/pnas.0914343107
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 41
+CH$NAME: Portoamide A
+CH$NAME: 1-((6R,9S,15S,18R,20aS,25aS,34R,40aS,E)-34-(3-amino-3-oxopropyl)-18-((S)-sec-butyl)-12-ethylidene-37-hydroxy-9-((R)-1-hydroxyethyl)-15-(hydroxymethyl)-6-(4-methoxyphenethyl)-5,8,11,14,17,20,25,30,33,36,40-undecaoxooctatriacontahydro-1H,25H-tripyrrolo[1,2-b1:1`,2`-g:1``,2``-j][1,4,7,10,13,16,19,22,25,28,31]undecaazacyclotetratriacontin-38-yl)-4,5-dihydroxy-7-methyloctan-2-yl N-acetyl-N-methyl-L-tyrosinate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C74H109N13O22
+CH$EXACT_MASS: 1531.781012
+CH$SMILES: O=C(NCC(N1[C@H](C(N2[C@H](C(N[C@@H](C(N[C@H](C(N/C(C(N[C@H](C(N[C@@H](C(N3[C@H](C(NC(C4O)CC(CC(C(CC(C)C)O)O)OC([C@@H](N(C(C)=O)C)CC5=CC=C(C=C5)O)=O)=O)CCC3)=O)CCC6=CC=C(OC)C=C6)=O)[C@H](O)C)=O)=C/C)=O)CO)=O)[C@H](CC)C)=O)CCC2)=O)CCC1)=O)[C@H](NC4=O)CCC(N)=O
+CH$IUPAC: InChI=1S/C74H109N13O22/c1-10-40(5)61-69(102)81-52(38-88)66(99)77-48(11-2)65(98)83-62(41(6)89)70(103)79-50(27-22-43-20-25-46(108-9)26-21-43)72(105)86-31-12-15-53(86)67(100)80-51(35-47(36-58(93)57(92)33-39(3)4)109-74(107)56(84(8)42(7)90)34-44-18-23-45(91)24-19-44)63(96)71(104)78-49(28-29-59(75)94)64(97)76-37-60(95)85-30-14-17-55(85)73(106)87-32-13-16-54(87)68(101)82-61/h11,18-21,23-26,39-41,47,49-58,61-63,88-89,91-93,96H,10,12-17,22,27-38H2,1-9H3,(H2,75,94)(H,76,97)(H,77,99)(H,78,104)(H,79,103)(H,80,100)(H,81,102)(H,82,101)(H,83,98)/b48-11+/t40-,41+,47?,49+,50+,51?,52-,53-,54-,55-,56-,57?,58?,61+,62-,63?/m0/s1
+CH$LINK: PUBCHEM CID:146683713
+CH$LINK: INCHIKEY IURIYLBJXOYFRR-CFLUNQOMSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1584
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.055 min
+MS$FOCUSED_ION: BASE_PEAK 766.8971
+MS$FOCUSED_ION: PRECURSOR_M/Z 1532.7883
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00di-0290000000-254c440fa7a7bba19213
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  192.1014 C9H12N4O+ 2 192.1006 4.49
+  220.0962 C12H14NO3+ 2 220.0968 -2.96
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  192.1014 631430.4 269
+  220.0962 2336593.5 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC004103.txt b/Eawag/MSBNK-EAWAG-EC004103.txt
new file mode 100644
index 0000000000..20dc17941b
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC004103.txt
@@ -0,0 +1,54 @@
+ACCESSION: MSBNK-EAWAG-EC004103
+RECORD_TITLE: Portoamide A; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1073/pnas.0914343107
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 41
+CH$NAME: Portoamide A
+CH$NAME: 1-((6R,9S,15S,18R,20aS,25aS,34R,40aS,E)-34-(3-amino-3-oxopropyl)-18-((S)-sec-butyl)-12-ethylidene-37-hydroxy-9-((R)-1-hydroxyethyl)-15-(hydroxymethyl)-6-(4-methoxyphenethyl)-5,8,11,14,17,20,25,30,33,36,40-undecaoxooctatriacontahydro-1H,25H-tripyrrolo[1,2-b1:1`,2`-g:1``,2``-j][1,4,7,10,13,16,19,22,25,28,31]undecaazacyclotetratriacontin-38-yl)-4,5-dihydroxy-7-methyloctan-2-yl N-acetyl-N-methyl-L-tyrosinate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C74H109N13O22
+CH$EXACT_MASS: 1531.781012
+CH$SMILES: O=C(NCC(N1[C@H](C(N2[C@H](C(N[C@@H](C(N[C@H](C(N/C(C(N[C@H](C(N[C@@H](C(N3[C@H](C(NC(C4O)CC(CC(C(CC(C)C)O)O)OC([C@@H](N(C(C)=O)C)CC5=CC=C(C=C5)O)=O)=O)CCC3)=O)CCC6=CC=C(OC)C=C6)=O)[C@H](O)C)=O)=C/C)=O)CO)=O)[C@H](CC)C)=O)CCC2)=O)CCC1)=O)[C@H](NC4=O)CCC(N)=O
+CH$IUPAC: InChI=1S/C74H109N13O22/c1-10-40(5)61-69(102)81-52(38-88)66(99)77-48(11-2)65(98)83-62(41(6)89)70(103)79-50(27-22-43-20-25-46(108-9)26-21-43)72(105)86-31-12-15-53(86)67(100)80-51(35-47(36-58(93)57(92)33-39(3)4)109-74(107)56(84(8)42(7)90)34-44-18-23-45(91)24-19-44)63(96)71(104)78-49(28-29-59(75)94)64(97)76-37-60(95)85-30-14-17-55(85)73(106)87-32-13-16-54(87)68(101)82-61/h11,18-21,23-26,39-41,47,49-58,61-63,88-89,91-93,96H,10,12-17,22,27-38H2,1-9H3,(H2,75,94)(H,76,97)(H,77,99)(H,78,104)(H,79,103)(H,80,100)(H,81,102)(H,82,101)(H,83,98)/b48-11+/t40-,41+,47?,49+,50+,51?,52-,53-,54-,55-,56-,57?,58?,61+,62-,63?/m0/s1
+CH$LINK: PUBCHEM CID:146683713
+CH$LINK: INCHIKEY IURIYLBJXOYFRR-CFLUNQOMSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1584
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.055 min
+MS$FOCUSED_ION: BASE_PEAK 766.8971
+MS$FOCUSED_ION: PRECURSOR_M/Z 1532.7883
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00dl-0793200000-c6cf911dac9c01fb5221
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  70.0651 C4H8N+ 1 70.0651 -0.63
+  150.091 C9H12NO+ 1 150.0913 -2.15
+  192.1015 C9H12N4O+ 2 192.1006 4.73
+  220.0962 C12H14NO3+ 2 220.0968 -2.82
+  395.2278 C18H25N11+ 12 395.2289 -2.72
+  469.2654 C9H35N13O9+ 15 469.2675 -4.55
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  70.0651 202280.8 46
+  150.091 537261.4 122
+  192.1015 2921186.2 668
+  220.0962 4366830.5 999
+  395.2278 1781630.2 407
+  469.2654 1265180.9 289
+//
diff --git a/Eawag/MSBNK-EAWAG-EC004104.txt b/Eawag/MSBNK-EAWAG-EC004104.txt
new file mode 100644
index 0000000000..3dde014a20
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC004104.txt
@@ -0,0 +1,54 @@
+ACCESSION: MSBNK-EAWAG-EC004104
+RECORD_TITLE: Portoamide A; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1073/pnas.0914343107
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 41
+CH$NAME: Portoamide A
+CH$NAME: 1-((6R,9S,15S,18R,20aS,25aS,34R,40aS,E)-34-(3-amino-3-oxopropyl)-18-((S)-sec-butyl)-12-ethylidene-37-hydroxy-9-((R)-1-hydroxyethyl)-15-(hydroxymethyl)-6-(4-methoxyphenethyl)-5,8,11,14,17,20,25,30,33,36,40-undecaoxooctatriacontahydro-1H,25H-tripyrrolo[1,2-b1:1`,2`-g:1``,2``-j][1,4,7,10,13,16,19,22,25,28,31]undecaazacyclotetratriacontin-38-yl)-4,5-dihydroxy-7-methyloctan-2-yl N-acetyl-N-methyl-L-tyrosinate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C74H109N13O22
+CH$EXACT_MASS: 1531.781012
+CH$SMILES: O=C(NCC(N1[C@H](C(N2[C@H](C(N[C@@H](C(N[C@H](C(N/C(C(N[C@H](C(N[C@@H](C(N3[C@H](C(NC(C4O)CC(CC(C(CC(C)C)O)O)OC([C@@H](N(C(C)=O)C)CC5=CC=C(C=C5)O)=O)=O)CCC3)=O)CCC6=CC=C(OC)C=C6)=O)[C@H](O)C)=O)=C/C)=O)CO)=O)[C@H](CC)C)=O)CCC2)=O)CCC1)=O)[C@H](NC4=O)CCC(N)=O
+CH$IUPAC: InChI=1S/C74H109N13O22/c1-10-40(5)61-69(102)81-52(38-88)66(99)77-48(11-2)65(98)83-62(41(6)89)70(103)79-50(27-22-43-20-25-46(108-9)26-21-43)72(105)86-31-12-15-53(86)67(100)80-51(35-47(36-58(93)57(92)33-39(3)4)109-74(107)56(84(8)42(7)90)34-44-18-23-45(91)24-19-44)63(96)71(104)78-49(28-29-59(75)94)64(97)76-37-60(95)85-30-14-17-55(85)73(106)87-32-13-16-54(87)68(101)82-61/h11,18-21,23-26,39-41,47,49-58,61-63,88-89,91-93,96H,10,12-17,22,27-38H2,1-9H3,(H2,75,94)(H,76,97)(H,77,99)(H,78,104)(H,79,103)(H,80,100)(H,81,102)(H,82,101)(H,83,98)/b48-11+/t40-,41+,47?,49+,50+,51?,52-,53-,54-,55-,56-,57?,58?,61+,62-,63?/m0/s1
+CH$LINK: PUBCHEM CID:146683713
+CH$LINK: INCHIKEY IURIYLBJXOYFRR-CFLUNQOMSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1584
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.055 min
+MS$FOCUSED_ION: BASE_PEAK 766.8971
+MS$FOCUSED_ION: PRECURSOR_M/Z 1532.7883
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-006x-0965200000-d5ea926303517f96e669
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  115.0864 C5H11N2O+ 1 115.0866 -1.81
+  192.1014 C9H12N4O+ 2 192.1006 4.41
+  220.0962 C12H14NO3+ 2 220.0968 -2.68
+  313.2113 H29N10O9+ 6 313.2113 -0.18
+  395.2282 C18H25N11+ 12 395.2289 -1.8
+  469.2654 C9H35N13O9+ 15 469.2675 -4.55
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  115.0864 552204.5 94
+  192.1014 5837426.5 999
+  220.0962 4688035.5 802
+  313.2113 1339869.2 229
+  395.2282 2328312.5 398
+  469.2654 1889925.9 323
+//
diff --git a/Eawag/MSBNK-EAWAG-EC004105.txt b/Eawag/MSBNK-EAWAG-EC004105.txt
new file mode 100644
index 0000000000..fa1c2fc94a
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC004105.txt
@@ -0,0 +1,98 @@
+ACCESSION: MSBNK-EAWAG-EC004105
+RECORD_TITLE: Portoamide A; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1073/pnas.0914343107
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 41
+CH$NAME: Portoamide A
+CH$NAME: 1-((6R,9S,15S,18R,20aS,25aS,34R,40aS,E)-34-(3-amino-3-oxopropyl)-18-((S)-sec-butyl)-12-ethylidene-37-hydroxy-9-((R)-1-hydroxyethyl)-15-(hydroxymethyl)-6-(4-methoxyphenethyl)-5,8,11,14,17,20,25,30,33,36,40-undecaoxooctatriacontahydro-1H,25H-tripyrrolo[1,2-b1:1`,2`-g:1``,2``-j][1,4,7,10,13,16,19,22,25,28,31]undecaazacyclotetratriacontin-38-yl)-4,5-dihydroxy-7-methyloctan-2-yl N-acetyl-N-methyl-L-tyrosinate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C74H109N13O22
+CH$EXACT_MASS: 1531.781012
+CH$SMILES: O=C(NCC(N1[C@H](C(N2[C@H](C(N[C@@H](C(N[C@H](C(N/C(C(N[C@H](C(N[C@@H](C(N3[C@H](C(NC(C4O)CC(CC(C(CC(C)C)O)O)OC([C@@H](N(C(C)=O)C)CC5=CC=C(C=C5)O)=O)=O)CCC3)=O)CCC6=CC=C(OC)C=C6)=O)[C@H](O)C)=O)=C/C)=O)CO)=O)[C@H](CC)C)=O)CCC2)=O)CCC1)=O)[C@H](NC4=O)CCC(N)=O
+CH$IUPAC: InChI=1S/C74H109N13O22/c1-10-40(5)61-69(102)81-52(38-88)66(99)77-48(11-2)65(98)83-62(41(6)89)70(103)79-50(27-22-43-20-25-46(108-9)26-21-43)72(105)86-31-12-15-53(86)67(100)80-51(35-47(36-58(93)57(92)33-39(3)4)109-74(107)56(84(8)42(7)90)34-44-18-23-45(91)24-19-44)63(96)71(104)78-49(28-29-59(75)94)64(97)76-37-60(95)85-30-14-17-55(85)73(106)87-32-13-16-54(87)68(101)82-61/h11,18-21,23-26,39-41,47,49-58,61-63,88-89,91-93,96H,10,12-17,22,27-38H2,1-9H3,(H2,75,94)(H,76,97)(H,77,99)(H,78,104)(H,79,103)(H,80,100)(H,81,102)(H,82,101)(H,83,98)/b48-11+/t40-,41+,47?,49+,50+,51?,52-,53-,54-,55-,56-,57?,58?,61+,62-,63?/m0/s1
+CH$LINK: PUBCHEM CID:146683713
+CH$LINK: INCHIKEY IURIYLBJXOYFRR-CFLUNQOMSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1584
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.055 min
+MS$FOCUSED_ION: BASE_PEAK 766.8971
+MS$FOCUSED_ION: PRECURSOR_M/Z 1532.7883
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00dl-4922000000-bd3ac6a15fd953c2eea2
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  70.0651 C4H8N+ 1 70.0651 -0.52
+  84.0443 C4H6NO+ 1 84.0444 -0.94
+  86.0963 C5H12N+ 1 86.0964 -0.96
+  115.0865 C5H11N2O+ 1 115.0866 -0.55
+  121.0647 C8H9O+ 1 121.0648 -1.15
+  125.096 C8H13O+ 1 125.0961 -0.58
+  126.0548 C6H8NO2+ 1 126.055 -1.38
+  127.0865 C6H11N2O+ 1 127.0866 -0.99
+  150.0911 C9H12NO+ 1 150.0913 -1.54
+  155.0813 C7H11N2O2+ 1 155.0815 -1.56
+  164.1067 C10H14NO+ 1 164.107 -1.77
+  183.1489 C10H19N2O+ 1 183.1492 -1.52
+  186.1486 C10H20NO2+ 1 186.1489 -1.26
+  192.1014 C9H12N4O+ 2 192.1006 4.57
+  195.1123 C10H15N2O2+ 2 195.1128 -2.65
+  201.1229 C9H17N2O3+ 2 201.1234 -2.53
+  211.1437 C11H19N2O2+ 2 211.1441 -1.97
+  216.1372 C12H16N4+ 1 216.1369 1.01
+  216.1593 C11H22NO3+ 1 216.1594 -0.59
+  220.0963 C12H14NO3+ 2 220.0968 -2.4
+  265.1552 H23N7O9+ 3 265.1552 -0.06
+  280.1641 C12H20N6O2+ 3 280.1642 -0.49
+  280.2009 H32N4O12+ 3 280.2011 -0.72
+  298.1753 C12H22N6O3+ 4 298.1748 1.68
+  308.1958 H26N11O8+ 5 308.196 -0.8
+  313.2111 H29N10O9+ 6 313.2113 -0.67
+  395.2282 C18H25N11+ 10 395.2289 -1.64
+  469.2654 C9H35N13O9+ 15 469.2675 -4.48
+PK$NUM_PEAK: 28
+PK$PEAK: m/z int. rel.int.
+  70.0651 9880830 999
+  84.0443 322750.7 32
+  86.0963 2131708 215
+  115.0865 1347581.4 136
+  121.0647 2387038.8 241
+  125.096 201617.6 20
+  126.0548 544958.7 55
+  127.0865 2051495.8 207
+  150.0911 5997170.5 606
+  155.0813 2132085 215
+  164.1067 986363.6 99
+  183.1489 2369114.8 239
+  186.1486 470716 47
+  192.1014 7664259.5 774
+  195.1123 680750 68
+  201.1229 228538.2 23
+  211.1437 1458831.4 147
+  216.1372 818815.4 82
+  216.1593 842509.9 85
+  220.0963 2196985 222
+  265.1552 1047377.5 105
+  280.1641 427381.4 43
+  280.2009 868756.2 87
+  298.1753 952918.4 96
+  308.1958 1046255.6 105
+  313.2111 4145726.5 419
+  395.2282 1237599.2 125
+  469.2654 683517.5 69
+//
diff --git a/Eawag/MSBNK-EAWAG-EC004106.txt b/Eawag/MSBNK-EAWAG-EC004106.txt
new file mode 100644
index 0000000000..280272fa7f
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC004106.txt
@@ -0,0 +1,102 @@
+ACCESSION: MSBNK-EAWAG-EC004106
+RECORD_TITLE: Portoamide A; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1073/pnas.0914343107
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 41
+CH$NAME: Portoamide A
+CH$NAME: 1-((6R,9S,15S,18R,20aS,25aS,34R,40aS,E)-34-(3-amino-3-oxopropyl)-18-((S)-sec-butyl)-12-ethylidene-37-hydroxy-9-((R)-1-hydroxyethyl)-15-(hydroxymethyl)-6-(4-methoxyphenethyl)-5,8,11,14,17,20,25,30,33,36,40-undecaoxooctatriacontahydro-1H,25H-tripyrrolo[1,2-b1:1`,2`-g:1``,2``-j][1,4,7,10,13,16,19,22,25,28,31]undecaazacyclotetratriacontin-38-yl)-4,5-dihydroxy-7-methyloctan-2-yl N-acetyl-N-methyl-L-tyrosinate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C74H109N13O22
+CH$EXACT_MASS: 1531.781012
+CH$SMILES: O=C(NCC(N1[C@H](C(N2[C@H](C(N[C@@H](C(N[C@H](C(N/C(C(N[C@H](C(N[C@@H](C(N3[C@H](C(NC(C4O)CC(CC(C(CC(C)C)O)O)OC([C@@H](N(C(C)=O)C)CC5=CC=C(C=C5)O)=O)=O)CCC3)=O)CCC6=CC=C(OC)C=C6)=O)[C@H](O)C)=O)=C/C)=O)CO)=O)[C@H](CC)C)=O)CCC2)=O)CCC1)=O)[C@H](NC4=O)CCC(N)=O
+CH$IUPAC: InChI=1S/C74H109N13O22/c1-10-40(5)61-69(102)81-52(38-88)66(99)77-48(11-2)65(98)83-62(41(6)89)70(103)79-50(27-22-43-20-25-46(108-9)26-21-43)72(105)86-31-12-15-53(86)67(100)80-51(35-47(36-58(93)57(92)33-39(3)4)109-74(107)56(84(8)42(7)90)34-44-18-23-45(91)24-19-44)63(96)71(104)78-49(28-29-59(75)94)64(97)76-37-60(95)85-30-14-17-55(85)73(106)87-32-13-16-54(87)68(101)82-61/h11,18-21,23-26,39-41,47,49-58,61-63,88-89,91-93,96H,10,12-17,22,27-38H2,1-9H3,(H2,75,94)(H,76,97)(H,77,99)(H,78,104)(H,79,103)(H,80,100)(H,81,102)(H,82,101)(H,83,98)/b48-11+/t40-,41+,47?,49+,50+,51?,52-,53-,54-,55-,56-,57?,58?,61+,62-,63?/m0/s1
+CH$LINK: PUBCHEM CID:146683713
+CH$LINK: INCHIKEY IURIYLBJXOYFRR-CFLUNQOMSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1584
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.055 min
+MS$FOCUSED_ION: BASE_PEAK 766.8971
+MS$FOCUSED_ION: PRECURSOR_M/Z 1532.7883
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00di-6910000000-688d48d56b94dcdadae5
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  67.0541 C5H7+ 1 67.0542 -1.33
+  70.0651 C4H8N+ 1 70.0651 -0.41
+  81.07 C6H9+ 1 81.0699 1.2
+  84.0443 C4H6NO+ 1 84.0444 -0.67
+  85.0646 C5H9O+ 1 85.0648 -1.87
+  86.0964 C5H12N+ 1 86.0964 -0.87
+  98.06 C5H8NO+ 1 98.06 -0.16
+  116.0707 C5H10NO2+ 1 116.0706 1.02
+  121.0647 C8H9O+ 1 121.0648 -1.09
+  126.0548 C6H8NO2+ 1 126.055 -1.38
+  126.0911 C7H12NO+ 1 126.0913 -2.05
+  127.0865 C6H11N2O+ 1 127.0866 -0.87
+  143.1064 C8H15O2+ 1 143.1067 -2.08
+  150.0911 C9H12NO+ 1 150.0913 -1.44
+  153.1024 C8H13N2O+ 1 153.1022 1.24
+  155.0813 C7H11N2O2+ 1 155.0815 -1.56
+  163.1114 C11H15O+ 1 163.1117 -1.8
+  164.1067 C10H14NO+ 1 164.107 -2.05
+  167.1175 C9H15N2O+ 1 167.1179 -2.08
+  183.1489 C10H19N2O+ 1 183.1492 -1.61
+  186.1486 C10H20NO2+ 1 186.1489 -1.26
+  192.1015 C9H12N4O+ 2 192.1006 4.88
+  195.113 C10H15N2O2+ 1 195.1128 1.03
+  198.1483 C11H20NO2+ 2 198.1489 -2.74
+  211.1436 C11H19N2O2+ 2 211.1441 -2.33
+  216.1368 C12H16N4+ 1 216.1369 -0.47
+  216.159 C11H22NO3+ 2 216.1594 -2.08
+  265.155 H23N7O9+ 3 265.1552 -0.75
+  266.112 C10H14N6O3+ 3 266.1122 -0.8
+  298.1759 C12H22N6O3+ 4 298.1748 3.83
+PK$NUM_PEAK: 30
+PK$PEAK: m/z int. rel.int.
+  67.0541 215574.7 10
+  70.0651 21368708 999
+  81.07 478325.9 22
+  84.0443 972780.4 45
+  85.0646 229353.4 10
+  86.0964 2853834.8 133
+  98.06 1394711.9 65
+  116.0707 384768.5 17
+  121.0647 5730174 267
+  126.0548 797407.2 37
+  126.0911 560919.8 26
+  127.0865 3303256.2 154
+  143.1064 977287 45
+  150.0911 10002817 467
+  153.1024 418515.1 19
+  155.0813 2395735 112
+  163.1114 379063.3 17
+  164.1067 705830.6 32
+  167.1175 781071 36
+  183.1489 4502292.5 210
+  186.1486 684204 31
+  192.1015 4209892.5 196
+  195.113 660094.8 30
+  198.1483 507973.3 23
+  211.1436 1373430.2 64
+  216.1368 1026287.9 47
+  216.159 1613220.6 75
+  265.155 520318.9 24
+  266.112 563477.4 26
+  298.1759 537942.2 25
+//
diff --git a/Eawag/MSBNK-EAWAG-EC004107.txt b/Eawag/MSBNK-EAWAG-EC004107.txt
new file mode 100644
index 0000000000..5743d72482
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC004107.txt
@@ -0,0 +1,98 @@
+ACCESSION: MSBNK-EAWAG-EC004107
+RECORD_TITLE: Portoamide A; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1073/pnas.0914343107
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 41
+CH$NAME: Portoamide A
+CH$NAME: 1-((6R,9S,15S,18R,20aS,25aS,34R,40aS,E)-34-(3-amino-3-oxopropyl)-18-((S)-sec-butyl)-12-ethylidene-37-hydroxy-9-((R)-1-hydroxyethyl)-15-(hydroxymethyl)-6-(4-methoxyphenethyl)-5,8,11,14,17,20,25,30,33,36,40-undecaoxooctatriacontahydro-1H,25H-tripyrrolo[1,2-b1:1`,2`-g:1``,2``-j][1,4,7,10,13,16,19,22,25,28,31]undecaazacyclotetratriacontin-38-yl)-4,5-dihydroxy-7-methyloctan-2-yl N-acetyl-N-methyl-L-tyrosinate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C74H109N13O22
+CH$EXACT_MASS: 1531.781012
+CH$SMILES: O=C(NCC(N1[C@H](C(N2[C@H](C(N[C@@H](C(N[C@H](C(N/C(C(N[C@H](C(N[C@@H](C(N3[C@H](C(NC(C4O)CC(CC(C(CC(C)C)O)O)OC([C@@H](N(C(C)=O)C)CC5=CC=C(C=C5)O)=O)=O)CCC3)=O)CCC6=CC=C(OC)C=C6)=O)[C@H](O)C)=O)=C/C)=O)CO)=O)[C@H](CC)C)=O)CCC2)=O)CCC1)=O)[C@H](NC4=O)CCC(N)=O
+CH$IUPAC: InChI=1S/C74H109N13O22/c1-10-40(5)61-69(102)81-52(38-88)66(99)77-48(11-2)65(98)83-62(41(6)89)70(103)79-50(27-22-43-20-25-46(108-9)26-21-43)72(105)86-31-12-15-53(86)67(100)80-51(35-47(36-58(93)57(92)33-39(3)4)109-74(107)56(84(8)42(7)90)34-44-18-23-45(91)24-19-44)63(96)71(104)78-49(28-29-59(75)94)64(97)76-37-60(95)85-30-14-17-55(85)73(106)87-32-13-16-54(87)68(101)82-61/h11,18-21,23-26,39-41,47,49-58,61-63,88-89,91-93,96H,10,12-17,22,27-38H2,1-9H3,(H2,75,94)(H,76,97)(H,77,99)(H,78,104)(H,79,103)(H,80,100)(H,81,102)(H,82,101)(H,83,98)/b48-11+/t40-,41+,47?,49+,50+,51?,52-,53-,54-,55-,56-,57?,58?,61+,62-,63?/m0/s1
+CH$LINK: PUBCHEM CID:146683713
+CH$LINK: INCHIKEY IURIYLBJXOYFRR-CFLUNQOMSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1584
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.055 min
+MS$FOCUSED_ION: BASE_PEAK 766.8971
+MS$FOCUSED_ION: PRECURSOR_M/Z 1532.7883
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00di-9700000000-762ba210e338d30fa344
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  70.0651 C4H8N+ 1 70.0651 -0.41
+  74.06 C3H8NO+ 1 74.06 -0.31
+  81.0698 C6H9+ 1 81.0699 -0.59
+  84.0444 C4H6NO+ 1 84.0444 -0.21
+  86.0964 C5H12N+ 1 86.0964 -0.7
+  87.0439 C4H7O2+ 1 87.0441 -1.69
+  91.0542 C7H7+ 1 91.0542 -0.7
+  98.0599 C5H8NO+ 1 98.06 -0.94
+  99.0803 C6H11O+ 1 99.0804 -1.48
+  107.0856 C8H11+ 1 107.0855 0.73
+  115.0864 C5H11N2O+ 1 115.0866 -1.54
+  121.0647 C8H9O+ 1 121.0648 -1.02
+  125.0963 C8H13O+ 1 125.0961 1.62
+  126.0547 C6H8NO2+ 1 126.055 -1.68
+  126.0911 C7H12NO+ 1 126.0913 -1.63
+  127.0864 C6H11N2O+ 1 127.0866 -1.11
+  139.0867 C7H11N2O+ 1 139.0866 0.45
+  143.1065 C8H15O2+ 1 143.1067 -1.22
+  150.0911 C9H12NO+ 1 150.0913 -1.44
+  155.0813 C7H11N2O2+ 1 155.0815 -1.36
+  167.1176 C9H15N2O+ 1 167.1179 -1.8
+  168.1384 C10H18NO+ 1 168.1383 0.73
+  183.149 C10H19N2O+ 1 183.1492 -1.27
+  192.1014 C9H12N4O+ 2 192.1006 4.41
+  198.1491 C11H20NO2+ 1 198.1489 1.04
+  208.1326 C12H18NO2+ 2 208.1332 -2.83
+  211.1436 C11H19N2O2+ 2 211.1441 -2.19
+  216.1371 C12H16N4+ 1 216.1369 0.66
+PK$NUM_PEAK: 28
+PK$PEAK: m/z int. rel.int.
+  70.0651 31305200 999
+  74.06 446611.9 14
+  81.0698 1142876.1 36
+  84.0444 1934665.9 61
+  86.0964 3172158.8 101
+  87.0439 411106.7 13
+  91.0542 350024.3 11
+  98.0599 2025112 64
+  99.0803 927237.1 29
+  107.0856 472062.2 15
+  115.0864 675286.9 21
+  121.0647 7629416.5 243
+  125.0963 674625.8 21
+  126.0547 791282.5 25
+  126.0911 502027.9 16
+  127.0864 3206063 102
+  139.0867 323674.6 10
+  143.1065 1073096 34
+  150.0911 11945082 381
+  155.0813 1545052 49
+  167.1176 434053.8 13
+  168.1384 420880 13
+  183.149 2901399.8 92
+  192.1014 1519199.1 48
+  198.1491 342738.8 10
+  208.1326 396593.6 12
+  211.1436 348896.7 11
+  216.1371 809279.6 25
+//
diff --git a/Eawag/MSBNK-EAWAG-EC004108.txt b/Eawag/MSBNK-EAWAG-EC004108.txt
new file mode 100644
index 0000000000..1e705969f8
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC004108.txt
@@ -0,0 +1,80 @@
+ACCESSION: MSBNK-EAWAG-EC004108
+RECORD_TITLE: Portoamide A; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1073/pnas.0914343107
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 41
+CH$NAME: Portoamide A
+CH$NAME: 1-((6R,9S,15S,18R,20aS,25aS,34R,40aS,E)-34-(3-amino-3-oxopropyl)-18-((S)-sec-butyl)-12-ethylidene-37-hydroxy-9-((R)-1-hydroxyethyl)-15-(hydroxymethyl)-6-(4-methoxyphenethyl)-5,8,11,14,17,20,25,30,33,36,40-undecaoxooctatriacontahydro-1H,25H-tripyrrolo[1,2-b1:1`,2`-g:1``,2``-j][1,4,7,10,13,16,19,22,25,28,31]undecaazacyclotetratriacontin-38-yl)-4,5-dihydroxy-7-methyloctan-2-yl N-acetyl-N-methyl-L-tyrosinate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C74H109N13O22
+CH$EXACT_MASS: 1531.781012
+CH$SMILES: O=C(NCC(N1[C@H](C(N2[C@H](C(N[C@@H](C(N[C@H](C(N/C(C(N[C@H](C(N[C@@H](C(N3[C@H](C(NC(C4O)CC(CC(C(CC(C)C)O)O)OC([C@@H](N(C(C)=O)C)CC5=CC=C(C=C5)O)=O)=O)CCC3)=O)CCC6=CC=C(OC)C=C6)=O)[C@H](O)C)=O)=C/C)=O)CO)=O)[C@H](CC)C)=O)CCC2)=O)CCC1)=O)[C@H](NC4=O)CCC(N)=O
+CH$IUPAC: InChI=1S/C74H109N13O22/c1-10-40(5)61-69(102)81-52(38-88)66(99)77-48(11-2)65(98)83-62(41(6)89)70(103)79-50(27-22-43-20-25-46(108-9)26-21-43)72(105)86-31-12-15-53(86)67(100)80-51(35-47(36-58(93)57(92)33-39(3)4)109-74(107)56(84(8)42(7)90)34-44-18-23-45(91)24-19-44)63(96)71(104)78-49(28-29-59(75)94)64(97)76-37-60(95)85-30-14-17-55(85)73(106)87-32-13-16-54(87)68(101)82-61/h11,18-21,23-26,39-41,47,49-58,61-63,88-89,91-93,96H,10,12-17,22,27-38H2,1-9H3,(H2,75,94)(H,76,97)(H,77,99)(H,78,104)(H,79,103)(H,80,100)(H,81,102)(H,82,101)(H,83,98)/b48-11+/t40-,41+,47?,49+,50+,51?,52-,53-,54-,55-,56-,57?,58?,61+,62-,63?/m0/s1
+CH$LINK: PUBCHEM CID:146683713
+CH$LINK: INCHIKEY IURIYLBJXOYFRR-CFLUNQOMSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1584
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.055 min
+MS$FOCUSED_ION: BASE_PEAK 766.8971
+MS$FOCUSED_ION: PRECURSOR_M/Z 1532.7883
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00di-9500000000-5ef48a76c6910a448f6d
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  67.0542 C5H7+ 1 67.0542 -0.19
+  70.0651 C4H8N+ 1 70.0651 -0.52
+  79.0543 C6H7+ 1 79.0542 0.79
+  81.0699 C6H9+ 1 81.0699 -0.21
+  84.0444 C4H6NO+ 1 84.0444 -0.3
+  84.0808 C5H10N+ 1 84.0808 0.05
+  86.0964 C5H12N+ 1 86.0964 -0.78
+  91.0542 C7H7+ 1 91.0542 -0.11
+  98.0599 C5H8NO+ 1 98.06 -0.94
+  99.0803 C6H11O+ 1 99.0804 -1.25
+  107.0854 C8H11+ 1 107.0855 -0.98
+  121.0646 C8H9O+ 1 121.0648 -1.28
+  126.055 C6H8NO2+ 1 126.055 0.19
+  126.0913 C7H12NO+ 1 126.0913 -0.42
+  127.0865 C6H11N2O+ 1 127.0866 -0.99
+  135.0676 C8H9NO+ 1 135.0679 -2.23
+  150.0911 C9H12NO+ 1 150.0913 -1.34
+  155.0812 C7H11N2O2+ 1 155.0815 -1.75
+  183.1488 C10H19N2O+ 1 183.1492 -1.86
+PK$NUM_PEAK: 19
+PK$PEAK: m/z int. rel.int.
+  67.0542 417975 12
+  70.0651 34729016 999
+  79.0543 614789.1 17
+  81.0699 1470853.4 42
+  84.0444 2375730.8 68
+  84.0808 445340 12
+  86.0964 2498256.2 71
+  91.0542 747928.1 21
+  98.0599 2062404.9 59
+  99.0803 890120.4 25
+  107.0854 540606.2 15
+  121.0646 8182564 235
+  126.055 616899.7 17
+  126.0913 396630.7 11
+  127.0865 2392746.2 68
+  135.0676 472822.5 13
+  150.0911 11759783 338
+  155.0812 727139.6 20
+  183.1488 1211682 34
+//
diff --git a/Eawag/MSBNK-EAWAG-EC004109.txt b/Eawag/MSBNK-EAWAG-EC004109.txt
new file mode 100644
index 0000000000..8afabe45b3
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC004109.txt
@@ -0,0 +1,80 @@
+ACCESSION: MSBNK-EAWAG-EC004109
+RECORD_TITLE: Portoamide A; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1073/pnas.0914343107
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 41
+CH$NAME: Portoamide A
+CH$NAME: 1-((6R,9S,15S,18R,20aS,25aS,34R,40aS,E)-34-(3-amino-3-oxopropyl)-18-((S)-sec-butyl)-12-ethylidene-37-hydroxy-9-((R)-1-hydroxyethyl)-15-(hydroxymethyl)-6-(4-methoxyphenethyl)-5,8,11,14,17,20,25,30,33,36,40-undecaoxooctatriacontahydro-1H,25H-tripyrrolo[1,2-b1:1`,2`-g:1``,2``-j][1,4,7,10,13,16,19,22,25,28,31]undecaazacyclotetratriacontin-38-yl)-4,5-dihydroxy-7-methyloctan-2-yl N-acetyl-N-methyl-L-tyrosinate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C74H109N13O22
+CH$EXACT_MASS: 1531.781012
+CH$SMILES: O=C(NCC(N1[C@H](C(N2[C@H](C(N[C@@H](C(N[C@H](C(N/C(C(N[C@H](C(N[C@@H](C(N3[C@H](C(NC(C4O)CC(CC(C(CC(C)C)O)O)OC([C@@H](N(C(C)=O)C)CC5=CC=C(C=C5)O)=O)=O)CCC3)=O)CCC6=CC=C(OC)C=C6)=O)[C@H](O)C)=O)=C/C)=O)CO)=O)[C@H](CC)C)=O)CCC2)=O)CCC1)=O)[C@H](NC4=O)CCC(N)=O
+CH$IUPAC: InChI=1S/C74H109N13O22/c1-10-40(5)61-69(102)81-52(38-88)66(99)77-48(11-2)65(98)83-62(41(6)89)70(103)79-50(27-22-43-20-25-46(108-9)26-21-43)72(105)86-31-12-15-53(86)67(100)80-51(35-47(36-58(93)57(92)33-39(3)4)109-74(107)56(84(8)42(7)90)34-44-18-23-45(91)24-19-44)63(96)71(104)78-49(28-29-59(75)94)64(97)76-37-60(95)85-30-14-17-55(85)73(106)87-32-13-16-54(87)68(101)82-61/h11,18-21,23-26,39-41,47,49-58,61-63,88-89,91-93,96H,10,12-17,22,27-38H2,1-9H3,(H2,75,94)(H,76,97)(H,77,99)(H,78,104)(H,79,103)(H,80,100)(H,81,102)(H,82,101)(H,83,98)/b48-11+/t40-,41+,47?,49+,50+,51?,52-,53-,54-,55-,56-,57?,58?,61+,62-,63?/m0/s1
+CH$LINK: PUBCHEM CID:146683713
+CH$LINK: INCHIKEY IURIYLBJXOYFRR-CFLUNQOMSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1584
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.055 min
+MS$FOCUSED_ION: BASE_PEAK 766.8971
+MS$FOCUSED_ION: PRECURSOR_M/Z 1532.7883
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00di-9500000000-c47ba26d0d3a132883b9
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  70.065 C4H8N+ 1 70.0651 -1.17
+  79.054 C6H7+ 1 79.0542 -2.49
+  81.0698 C6H9+ 1 81.0699 -0.77
+  84.0443 C4H6NO+ 1 84.0444 -0.94
+  86.0963 C5H12N+ 1 86.0964 -1.14
+  91.0541 C7H7+ 1 91.0542 -1.7
+  98.0599 C5H8NO+ 1 98.06 -1.64
+  99.0803 C6H11O+ 1 99.0804 -1.4
+  107.0854 C8H11+ 1 107.0855 -1.4
+  115.0865 C5H11N2O+ 1 115.0866 -0.48
+  121.0646 C8H9O+ 1 121.0648 -1.91
+  126.0546 C6H8NO2+ 1 126.055 -2.71
+  126.0913 C7H12NO+ 1 126.0913 -0.54
+  127.0863 C6H11N2O+ 1 127.0866 -1.89
+  135.0677 C8H9NO+ 1 135.0679 -0.99
+  143.1065 C8H15O2+ 1 143.1067 -0.9
+  150.091 C9H12NO+ 1 150.0913 -2.25
+  155.0811 C7H11N2O2+ 1 155.0815 -2.54
+  183.1489 C10H19N2O+ 1 183.1492 -1.69
+PK$NUM_PEAK: 19
+PK$PEAK: m/z int. rel.int.
+  70.065 40294612 999
+  79.054 676644.1 16
+  81.0698 1620088.8 40
+  84.0443 2757752.8 68
+  86.0963 3070911.5 76
+  91.0541 1006157.1 24
+  98.0599 2327529.5 57
+  99.0803 1146263.4 28
+  107.0854 546051.8 13
+  115.0865 439622.1 10
+  121.0646 9534014 236
+  126.0546 697901.3 17
+  126.0913 504460.2 12
+  127.0863 2581208.2 63
+  135.0677 538439.2 13
+  143.1065 820055.6 20
+  150.091 13529730 335
+  155.0811 788580.4 19
+  183.1489 1387574.2 34
+//
diff --git a/Eawag/MSBNK-EAWAG-EC004201.txt b/Eawag/MSBNK-EAWAG-EC004201.txt
new file mode 100644
index 0000000000..de52ecd933
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC004201.txt
@@ -0,0 +1,48 @@
+ACCESSION: MSBNK-EAWAG-EC004201
+RECORD_TITLE: Portoamide B; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1073/pnas.0914343107
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 42
+CH$NAME: Portoamide B
+CH$NAME: 1-((6R,9S,15S,18R,20aS,25aS,34R,40aS,E)-34-(3-amino-3-oxopropyl)-18-((S)-sec-butyl)-12-ethylidene-37-hydroxy-9-((R)-1-hydroxyethyl)-15-(hydroxymethyl)-5,8,11,14,17,20,25,30,33,36,40-undecaoxo-6-phenethyloctatriacontahydro-1H,25H-tripyrrolo[1,2-b1:1`,2`-g:1``,2``-j][1,4,7,10,13,16,19,22,25,28,31]undecaazacyclotetratriacontin-38-yl)-4,5-dihydroxy-7-methyloctan-2-yl N-acetyl-N-methyl-L-tyrosinate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C73H107N13O21
+CH$EXACT_MASS: 1501.770447
+CH$SMILES: O=C(NCC(N1[C@H](C(N2[C@H](C(N[C@@H](C(N[C@H](C(N/C(C(N[C@H](C(N[C@@H](C(N3[C@H](C(NC(C4O)CC(CC(C(CC(C)C)O)O)OC([C@@H](N(C(C)=O)C)CC5=CC=C(C=C5)O)=O)=O)CCC3)=O)CCC6=CC=CC=C6)=O)[C@H](O)C)=O)=C/C)=O)CO)=O)[C@H](CC)C)=O)CCC2)=O)CCC1)=O)[C@H](NC4=O)CCC(N)=O
+CH$IUPAC: InChI=1S/C73H107N13O21/c1-9-40(5)60-68(101)80-51(38-87)65(98)76-47(10-2)64(97)82-61(41(6)88)69(102)78-49(27-24-43-17-12-11-13-18-43)71(104)85-31-14-19-52(85)66(99)79-50(35-46(36-57(92)56(91)33-39(3)4)107-73(106)55(83(8)42(7)89)34-44-22-25-45(90)26-23-44)62(95)70(103)77-48(28-29-58(74)93)63(96)75-37-59(94)84-30-16-21-54(84)72(105)86-32-15-20-53(86)67(100)81-60/h10-13,17-18,22-23,25-26,39-41,46,48-57,60-62,87-88,90-92,95H,9,14-16,19-21,24,27-38H2,1-8H3,(H2,74,93)(H,75,96)(H,76,98)(H,77,103)(H,78,102)(H,79,99)(H,80,101)(H,81,100)(H,82,97)/b47-10+/t40-,41+,46?,48+,49+,50?,51-,52-,53-,54-,55-,56?,57?,60+,61-,62?/m0/s1
+CH$LINK: PUBCHEM CID:146683714
+CH$LINK: INCHIKEY XCGGFKXEWPNQFS-ABXPXLQLSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1554
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.471 min
+MS$FOCUSED_ION: BASE_PEAK 751.8923
+MS$FOCUSED_ION: PRECURSOR_M/Z 1502.7777
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0udi-0050090000-a9daeaec491dc2512287
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  220.0963 C10H12N4O2+ 2 220.0955 3.76
+  1265.6779 C61H93N12O17+ 17 1265.6776 0.2
+  1502.7787 C73H108N13O21+ 1 1502.7777 0.65
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  220.0963 246525.5 175
+  1265.6779 682353.9 486
+  1502.7787 1402170.2 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC004202.txt b/Eawag/MSBNK-EAWAG-EC004202.txt
new file mode 100644
index 0000000000..47ce97255d
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC004202.txt
@@ -0,0 +1,54 @@
+ACCESSION: MSBNK-EAWAG-EC004202
+RECORD_TITLE: Portoamide B; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1073/pnas.0914343107
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 42
+CH$NAME: Portoamide B
+CH$NAME: 1-((6R,9S,15S,18R,20aS,25aS,34R,40aS,E)-34-(3-amino-3-oxopropyl)-18-((S)-sec-butyl)-12-ethylidene-37-hydroxy-9-((R)-1-hydroxyethyl)-15-(hydroxymethyl)-5,8,11,14,17,20,25,30,33,36,40-undecaoxo-6-phenethyloctatriacontahydro-1H,25H-tripyrrolo[1,2-b1:1`,2`-g:1``,2``-j][1,4,7,10,13,16,19,22,25,28,31]undecaazacyclotetratriacontin-38-yl)-4,5-dihydroxy-7-methyloctan-2-yl N-acetyl-N-methyl-L-tyrosinate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C73H107N13O21
+CH$EXACT_MASS: 1501.770447
+CH$SMILES: O=C(NCC(N1[C@H](C(N2[C@H](C(N[C@@H](C(N[C@H](C(N/C(C(N[C@H](C(N[C@@H](C(N3[C@H](C(NC(C4O)CC(CC(C(CC(C)C)O)O)OC([C@@H](N(C(C)=O)C)CC5=CC=C(C=C5)O)=O)=O)CCC3)=O)CCC6=CC=CC=C6)=O)[C@H](O)C)=O)=C/C)=O)CO)=O)[C@H](CC)C)=O)CCC2)=O)CCC1)=O)[C@H](NC4=O)CCC(N)=O
+CH$IUPAC: InChI=1S/C73H107N13O21/c1-9-40(5)60-68(101)80-51(38-87)65(98)76-47(10-2)64(97)82-61(41(6)88)69(102)78-49(27-24-43-17-12-11-13-18-43)71(104)85-31-14-19-52(85)66(99)79-50(35-46(36-57(92)56(91)33-39(3)4)107-73(106)55(83(8)42(7)89)34-44-22-25-45(90)26-23-44)62(95)70(103)77-48(28-29-58(74)93)63(96)75-37-59(94)84-30-16-21-54(84)72(105)86-32-15-20-53(86)67(100)81-60/h10-13,17-18,22-23,25-26,39-41,46,48-57,60-62,87-88,90-92,95H,9,14-16,19-21,24,27-38H2,1-8H3,(H2,74,93)(H,75,96)(H,76,98)(H,77,103)(H,78,102)(H,79,99)(H,80,101)(H,81,100)(H,82,97)/b47-10+/t40-,41+,46?,48+,49+,50?,51-,52-,53-,54-,55-,56?,57?,60+,61-,62?/m0/s1
+CH$LINK: PUBCHEM CID:146683714
+CH$LINK: INCHIKEY XCGGFKXEWPNQFS-ABXPXLQLSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1554
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.471 min
+MS$FOCUSED_ION: BASE_PEAK 751.8923
+MS$FOCUSED_ION: PRECURSOR_M/Z 1502.7777
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00xr-0192000000-1f666211c13e98e65a0f
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  192.1018 C11H14NO2+ 1 192.1019 -0.68
+  220.0963 C10H12N4O2+ 2 220.0955 3.76
+  377.2185 C19H29N4O4+ 11 377.2183 0.57
+  395.2277 C3H31N12O10+ 12 395.2281 -1.01
+  412.256 C7H38N7O12+ 12 412.2573 -3.08
+  1265.678 C61H93N12O17+ 17 1265.6776 0.29
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  192.1018 359961 279
+  220.0963 1285706.8 999
+  377.2185 96945.5 75
+  395.2277 481544 374
+  412.256 83825 65
+  1265.678 663381.8 515
+//
diff --git a/Eawag/MSBNK-EAWAG-EC004203.txt b/Eawag/MSBNK-EAWAG-EC004203.txt
new file mode 100644
index 0000000000..36f76cb8df
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC004203.txt
@@ -0,0 +1,56 @@
+ACCESSION: MSBNK-EAWAG-EC004203
+RECORD_TITLE: Portoamide B; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1073/pnas.0914343107
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 42
+CH$NAME: Portoamide B
+CH$NAME: 1-((6R,9S,15S,18R,20aS,25aS,34R,40aS,E)-34-(3-amino-3-oxopropyl)-18-((S)-sec-butyl)-12-ethylidene-37-hydroxy-9-((R)-1-hydroxyethyl)-15-(hydroxymethyl)-5,8,11,14,17,20,25,30,33,36,40-undecaoxo-6-phenethyloctatriacontahydro-1H,25H-tripyrrolo[1,2-b1:1`,2`-g:1``,2``-j][1,4,7,10,13,16,19,22,25,28,31]undecaazacyclotetratriacontin-38-yl)-4,5-dihydroxy-7-methyloctan-2-yl N-acetyl-N-methyl-L-tyrosinate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C73H107N13O21
+CH$EXACT_MASS: 1501.770447
+CH$SMILES: O=C(NCC(N1[C@H](C(N2[C@H](C(N[C@@H](C(N[C@H](C(N/C(C(N[C@H](C(N[C@@H](C(N3[C@H](C(NC(C4O)CC(CC(C(CC(C)C)O)O)OC([C@@H](N(C(C)=O)C)CC5=CC=C(C=C5)O)=O)=O)CCC3)=O)CCC6=CC=CC=C6)=O)[C@H](O)C)=O)=C/C)=O)CO)=O)[C@H](CC)C)=O)CCC2)=O)CCC1)=O)[C@H](NC4=O)CCC(N)=O
+CH$IUPAC: InChI=1S/C73H107N13O21/c1-9-40(5)60-68(101)80-51(38-87)65(98)76-47(10-2)64(97)82-61(41(6)88)69(102)78-49(27-24-43-17-12-11-13-18-43)71(104)85-31-14-19-52(85)66(99)79-50(35-46(36-57(92)56(91)33-39(3)4)107-73(106)55(83(8)42(7)89)34-44-22-25-45(90)26-23-44)62(95)70(103)77-48(28-29-58(74)93)63(96)75-37-59(94)84-30-16-21-54(84)72(105)86-32-15-20-53(86)67(100)81-60/h10-13,17-18,22-23,25-26,39-41,46,48-57,60-62,87-88,90-92,95H,9,14-16,19-21,24,27-38H2,1-8H3,(H2,74,93)(H,75,96)(H,76,98)(H,77,103)(H,78,102)(H,79,99)(H,80,101)(H,81,100)(H,82,97)/b47-10+/t40-,41+,46?,48+,49+,50?,51-,52-,53-,54-,55-,56?,57?,60+,61-,62?/m0/s1
+CH$LINK: PUBCHEM CID:146683714
+CH$LINK: INCHIKEY XCGGFKXEWPNQFS-ABXPXLQLSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1554
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.471 min
+MS$FOCUSED_ION: BASE_PEAK 751.8923
+MS$FOCUSED_ION: PRECURSOR_M/Z 1502.7777
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00dl-0695200000-edbb7090166d1b9679ae
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  70.0651 C4H8N+ 1 70.0651 -0.3
+  150.091 C9H12NO+ 1 150.0913 -2.15
+  192.1016 C11H14NO2+ 1 192.1019 -1.47
+  220.0963 C10H12N4O2+ 2 220.0955 3.7
+  377.2181 C19H29N4O4+ 9 377.2183 -0.56
+  395.228 C3H31N12O10+ 12 395.2281 -0.24
+  469.2656 C21H31N11O2+ 15 469.2657 -0.15
+PK$NUM_PEAK: 7
+PK$PEAK: m/z int. rel.int.
+  70.0651 145639.3 67
+  150.091 206619.7 95
+  192.1016 1319520.6 610
+  220.0963 2160909.8 999
+  377.2181 276432.8 127
+  395.228 954922 441
+  469.2656 613809.8 283
+//
diff --git a/Eawag/MSBNK-EAWAG-EC004204.txt b/Eawag/MSBNK-EAWAG-EC004204.txt
new file mode 100644
index 0000000000..4edf0d90a6
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC004204.txt
@@ -0,0 +1,70 @@
+ACCESSION: MSBNK-EAWAG-EC004204
+RECORD_TITLE: Portoamide B; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1073/pnas.0914343107
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 42
+CH$NAME: Portoamide B
+CH$NAME: 1-((6R,9S,15S,18R,20aS,25aS,34R,40aS,E)-34-(3-amino-3-oxopropyl)-18-((S)-sec-butyl)-12-ethylidene-37-hydroxy-9-((R)-1-hydroxyethyl)-15-(hydroxymethyl)-5,8,11,14,17,20,25,30,33,36,40-undecaoxo-6-phenethyloctatriacontahydro-1H,25H-tripyrrolo[1,2-b1:1`,2`-g:1``,2``-j][1,4,7,10,13,16,19,22,25,28,31]undecaazacyclotetratriacontin-38-yl)-4,5-dihydroxy-7-methyloctan-2-yl N-acetyl-N-methyl-L-tyrosinate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C73H107N13O21
+CH$EXACT_MASS: 1501.770447
+CH$SMILES: O=C(NCC(N1[C@H](C(N2[C@H](C(N[C@@H](C(N[C@H](C(N/C(C(N[C@H](C(N[C@@H](C(N3[C@H](C(NC(C4O)CC(CC(C(CC(C)C)O)O)OC([C@@H](N(C(C)=O)C)CC5=CC=C(C=C5)O)=O)=O)CCC3)=O)CCC6=CC=CC=C6)=O)[C@H](O)C)=O)=C/C)=O)CO)=O)[C@H](CC)C)=O)CCC2)=O)CCC1)=O)[C@H](NC4=O)CCC(N)=O
+CH$IUPAC: InChI=1S/C73H107N13O21/c1-9-40(5)60-68(101)80-51(38-87)65(98)76-47(10-2)64(97)82-61(41(6)88)69(102)78-49(27-24-43-17-12-11-13-18-43)71(104)85-31-14-19-52(85)66(99)79-50(35-46(36-57(92)56(91)33-39(3)4)107-73(106)55(83(8)42(7)89)34-44-22-25-45(90)26-23-44)62(95)70(103)77-48(28-29-58(74)93)63(96)75-37-59(94)84-30-16-21-54(84)72(105)86-32-15-20-53(86)67(100)81-60/h10-13,17-18,22-23,25-26,39-41,46,48-57,60-62,87-88,90-92,95H,9,14-16,19-21,24,27-38H2,1-8H3,(H2,74,93)(H,75,96)(H,76,98)(H,77,103)(H,78,102)(H,79,99)(H,80,101)(H,81,100)(H,82,97)/b47-10+/t40-,41+,46?,48+,49+,50?,51-,52-,53-,54-,55-,56?,57?,60+,61-,62?/m0/s1
+CH$LINK: PUBCHEM CID:146683714
+CH$LINK: INCHIKEY XCGGFKXEWPNQFS-ABXPXLQLSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1554
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.471 min
+MS$FOCUSED_ION: BASE_PEAK 751.8923
+MS$FOCUSED_ION: PRECURSOR_M/Z 1502.7777
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00dl-1956200000-28be4bc731579b76e248
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  70.0651 C4H8N+ 1 70.0651 -0.95
+  86.0966 C5H12N+ 1 86.0964 2.41
+  115.0866 C5H11N2O+ 1 115.0866 0.25
+  150.0911 C9H12NO+ 1 150.0913 -1.64
+  155.0812 C7H11N2O2+ 1 155.0815 -2.15
+  192.1016 C11H14NO2+ 1 192.1019 -1.71
+  220.0962 C10H12N4O2+ 2 220.0955 3.49
+  235.1439 C13H19N2O2+ 3 235.1441 -0.85
+  308.1958 H26N11O8+ 5 308.196 -0.9
+  313.2115 CH35N3O14+ 6 313.2114 0.58
+  365.2182 C19H25N8+ 9 365.2197 -4.02
+  377.2182 C19H29N4O4+ 9 377.2183 -0.4
+  395.2282 C4H37N5O15+ 10 395.2281 0.37
+  478.2654 C22H30N12O+ 15 478.266 -1.29
+PK$NUM_PEAK: 14
+PK$PEAK: m/z int. rel.int.
+  70.0651 725950.5 267
+  86.0966 128789.4 47
+  115.0866 249811.4 92
+  150.0911 805593 297
+  155.0812 210317 77
+  192.1016 2709525 999
+  220.0962 2342276.2 863
+  235.1439 78761.2 29
+  308.1958 320356 118
+  313.2115 710847.2 262
+  365.2182 202712.2 74
+  377.2182 314776.3 116
+  395.2282 1229210.1 453
+  478.2654 886141.9 326
+//
diff --git a/Eawag/MSBNK-EAWAG-EC004205.txt b/Eawag/MSBNK-EAWAG-EC004205.txt
new file mode 100644
index 0000000000..cc2f3f7c38
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC004205.txt
@@ -0,0 +1,116 @@
+ACCESSION: MSBNK-EAWAG-EC004205
+RECORD_TITLE: Portoamide B; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1073/pnas.0914343107
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 42
+CH$NAME: Portoamide B
+CH$NAME: 1-((6R,9S,15S,18R,20aS,25aS,34R,40aS,E)-34-(3-amino-3-oxopropyl)-18-((S)-sec-butyl)-12-ethylidene-37-hydroxy-9-((R)-1-hydroxyethyl)-15-(hydroxymethyl)-5,8,11,14,17,20,25,30,33,36,40-undecaoxo-6-phenethyloctatriacontahydro-1H,25H-tripyrrolo[1,2-b1:1`,2`-g:1``,2``-j][1,4,7,10,13,16,19,22,25,28,31]undecaazacyclotetratriacontin-38-yl)-4,5-dihydroxy-7-methyloctan-2-yl N-acetyl-N-methyl-L-tyrosinate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C73H107N13O21
+CH$EXACT_MASS: 1501.770447
+CH$SMILES: O=C(NCC(N1[C@H](C(N2[C@H](C(N[C@@H](C(N[C@H](C(N/C(C(N[C@H](C(N[C@@H](C(N3[C@H](C(NC(C4O)CC(CC(C(CC(C)C)O)O)OC([C@@H](N(C(C)=O)C)CC5=CC=C(C=C5)O)=O)=O)CCC3)=O)CCC6=CC=CC=C6)=O)[C@H](O)C)=O)=C/C)=O)CO)=O)[C@H](CC)C)=O)CCC2)=O)CCC1)=O)[C@H](NC4=O)CCC(N)=O
+CH$IUPAC: InChI=1S/C73H107N13O21/c1-9-40(5)60-68(101)80-51(38-87)65(98)76-47(10-2)64(97)82-61(41(6)88)69(102)78-49(27-24-43-17-12-11-13-18-43)71(104)85-31-14-19-52(85)66(99)79-50(35-46(36-57(92)56(91)33-39(3)4)107-73(106)55(83(8)42(7)89)34-44-22-25-45(90)26-23-44)62(95)70(103)77-48(28-29-58(74)93)63(96)75-37-59(94)84-30-16-21-54(84)72(105)86-32-15-20-53(86)67(100)81-60/h10-13,17-18,22-23,25-26,39-41,46,48-57,60-62,87-88,90-92,95H,9,14-16,19-21,24,27-38H2,1-8H3,(H2,74,93)(H,75,96)(H,76,98)(H,77,103)(H,78,102)(H,79,99)(H,80,101)(H,81,100)(H,82,97)/b47-10+/t40-,41+,46?,48+,49+,50?,51-,52-,53-,54-,55-,56?,57?,60+,61-,62?/m0/s1
+CH$LINK: PUBCHEM CID:146683714
+CH$LINK: INCHIKEY XCGGFKXEWPNQFS-ABXPXLQLSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1554
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.471 min
+MS$FOCUSED_ION: BASE_PEAK 751.8923
+MS$FOCUSED_ION: PRECURSOR_M/Z 1502.7777
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00dl-4932000000-d44c8b81189d7ea1d0a9
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  70.0651 C4H8N+ 1 70.0651 -0.08
+  84.0809 C5H10N+ 1 84.0808 1.77
+  86.0964 C5H12N+ 1 86.0964 -0.7
+  98.0597 C5H8NO+ 1 98.06 -3.2
+  115.0865 C5H11N2O+ 1 115.0866 -1.08
+  116.0706 C5H10NO2+ 1 116.0706 -0.1
+  117.0699 C9H9+ 1 117.0699 0.04
+  127.0864 C6H11N2O+ 1 127.0866 -1.11
+  134.0963 C9H12N+ 1 134.0964 -0.94
+  138.1277 C9H16N+ 1 138.1277 -0.18
+  150.0912 C9H12NO+ 1 150.0913 -1.24
+  155.0814 C7H11N2O2+ 1 155.0815 -0.87
+  167.081 C8H11N2O2+ 2 167.0815 -3.12
+  167.1178 C9H15N2O+ 1 167.1179 -0.52
+  181.0975 C9H13N2O2+ 1 181.0972 1.99
+  183.1489 C10H19N2O+ 1 183.1492 -1.52
+  186.1276 C13H16N+ 1 186.1277 -0.87
+  187.0713 C7H11N2O4+ 1 187.0713 -0.26
+  192.1015 C11H14NO2+ 1 192.1019 -1.95
+  195.1127 C10H15N2O2+ 1 195.1128 -0.53
+  201.1234 C9H17N2O3+ 1 201.1234 0.05
+  211.1439 C11H19N2O2+ 1 211.1441 -0.96
+  216.1586 C11H22NO3+ 2 216.1594 -3.63
+  220.0962 C10H12N4O2+ 2 220.0955 3.42
+  226.143 C12H20NO3+ 2 226.1438 -3.6
+  235.1434 C13H19N2O2+ 3 235.1441 -2.79
+  252.1334 C12H18N3O3+ 2 252.1343 -3.56
+  261.1801 C10H23N5O3+ 2 261.1795 2.26
+  266.1132 C12H16N3O4+ 2 266.1135 -1.14
+  280.1646 C12H20N6O2+ 2 280.1642 1.36
+  280.202 C13H24N6O+ 6 280.2006 4.92
+  295.2011 CH33N3O13+ 6 295.2008 1.1
+  308.1959 H26N11O8+ 7 308.196 -0.41
+  313.2114 CH35N3O14+ 6 313.2114 -0.01
+  395.2294 C4H37N5O15+ 12 395.2281 3.38
+  451.2546 C7H41N5O16+ 14 451.2543 0.81
+  478.2659 C22H30N12O+ 15 478.266 -0.27
+PK$NUM_PEAK: 37
+PK$PEAK: m/z int. rel.int.
+  70.0651 4247613 999
+  84.0809 119317.3 28
+  86.0964 870041.9 204
+  98.0597 193458.6 45
+  115.0865 545086.3 128
+  116.0706 112776.2 26
+  117.0699 126746.9 29
+  127.0864 850647.3 200
+  134.0963 471062.5 110
+  138.1277 86348.2 20
+  150.0912 2484535.8 584
+  155.0814 894269.4 210
+  167.081 45899.3 10
+  167.1178 233290.6 54
+  181.0975 97423.6 22
+  183.1489 1039641.2 244
+  186.1276 370413.9 87
+  187.0713 80102.7 18
+  192.1015 3301109.5 776
+  195.1127 272450.8 64
+  201.1234 127297.1 29
+  211.1439 601499.8 141
+  216.1586 442398.6 104
+  220.0962 955479.4 224
+  226.143 200666.3 47
+  235.1434 361120.4 84
+  252.1334 419996.8 98
+  261.1801 215621.2 50
+  266.1132 315736.2 74
+  280.1646 190279.2 44
+  280.202 291681.1 68
+  295.2011 522034.8 122
+  308.1959 471090.1 110
+  313.2114 1664613.9 391
+  395.2294 632914.8 148
+  451.2546 192506.2 45
+  478.2659 431917 101
+//
diff --git a/Eawag/MSBNK-EAWAG-EC004206.txt b/Eawag/MSBNK-EAWAG-EC004206.txt
new file mode 100644
index 0000000000..e705c038ee
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC004206.txt
@@ -0,0 +1,136 @@
+ACCESSION: MSBNK-EAWAG-EC004206
+RECORD_TITLE: Portoamide B; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1073/pnas.0914343107
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 42
+CH$NAME: Portoamide B
+CH$NAME: 1-((6R,9S,15S,18R,20aS,25aS,34R,40aS,E)-34-(3-amino-3-oxopropyl)-18-((S)-sec-butyl)-12-ethylidene-37-hydroxy-9-((R)-1-hydroxyethyl)-15-(hydroxymethyl)-5,8,11,14,17,20,25,30,33,36,40-undecaoxo-6-phenethyloctatriacontahydro-1H,25H-tripyrrolo[1,2-b1:1`,2`-g:1``,2``-j][1,4,7,10,13,16,19,22,25,28,31]undecaazacyclotetratriacontin-38-yl)-4,5-dihydroxy-7-methyloctan-2-yl N-acetyl-N-methyl-L-tyrosinate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C73H107N13O21
+CH$EXACT_MASS: 1501.770447
+CH$SMILES: O=C(NCC(N1[C@H](C(N2[C@H](C(N[C@@H](C(N[C@H](C(N/C(C(N[C@H](C(N[C@@H](C(N3[C@H](C(NC(C4O)CC(CC(C(CC(C)C)O)O)OC([C@@H](N(C(C)=O)C)CC5=CC=C(C=C5)O)=O)=O)CCC3)=O)CCC6=CC=CC=C6)=O)[C@H](O)C)=O)=C/C)=O)CO)=O)[C@H](CC)C)=O)CCC2)=O)CCC1)=O)[C@H](NC4=O)CCC(N)=O
+CH$IUPAC: InChI=1S/C73H107N13O21/c1-9-40(5)60-68(101)80-51(38-87)65(98)76-47(10-2)64(97)82-61(41(6)88)69(102)78-49(27-24-43-17-12-11-13-18-43)71(104)85-31-14-19-52(85)66(99)79-50(35-46(36-57(92)56(91)33-39(3)4)107-73(106)55(83(8)42(7)89)34-44-22-25-45(90)26-23-44)62(95)70(103)77-48(28-29-58(74)93)63(96)75-37-59(94)84-30-16-21-54(84)72(105)86-32-15-20-53(86)67(100)81-60/h10-13,17-18,22-23,25-26,39-41,46,48-57,60-62,87-88,90-92,95H,9,14-16,19-21,24,27-38H2,1-8H3,(H2,74,93)(H,75,96)(H,76,98)(H,77,103)(H,78,102)(H,79,99)(H,80,101)(H,81,100)(H,82,97)/b47-10+/t40-,41+,46?,48+,49+,50?,51-,52-,53-,54-,55-,56?,57?,60+,61-,62?/m0/s1
+CH$LINK: PUBCHEM CID:146683714
+CH$LINK: INCHIKEY XCGGFKXEWPNQFS-ABXPXLQLSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1554
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.471 min
+MS$FOCUSED_ION: BASE_PEAK 751.8923
+MS$FOCUSED_ION: PRECURSOR_M/Z 1502.7777
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00di-7910000000-45fdacc25b6dd003b5ee
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  69.07 C5H9+ 1 69.0699 1.55
+  70.0651 C4H8N+ 1 70.0651 0.14
+  74.0599 C3H8NO+ 1 74.06 -1.65
+  81.07 C6H9+ 1 81.0699 1.39
+  84.0445 C4H6NO+ 1 84.0444 0.78
+  84.081 C5H10N+ 1 84.0808 2.32
+  86.0964 C5H12N+ 1 86.0964 -0.43
+  91.0541 C7H7+ 1 91.0542 -1.03
+  98.06 C5H8NO+ 1 98.06 -0.48
+  99.0804 C6H11O+ 1 99.0804 -0.79
+  101.0711 C4H9N2O+ 1 101.0709 1.8
+  107.0855 C8H11+ 1 107.0855 -0.48
+  115.0865 C5H11N2O+ 1 115.0866 -1.15
+  116.0707 C5H10NO2+ 1 116.0706 1.15
+  117.0698 C9H9+ 1 117.0699 -0.94
+  125.0963 C8H13O+ 1 125.0961 1.56
+  126.0548 C6H8NO2+ 1 126.055 -1.2
+  126.0912 C7H12NO+ 1 126.0913 -1.33
+  127.0865 C6H11N2O+ 1 127.0866 -0.57
+  129.0659 C5H9N2O2+ 1 129.0659 0.21
+  134.0963 C9H12N+ 1 134.0964 -0.82
+  143.1065 C8H15O2+ 1 143.1067 -0.9
+  150.0912 C9H12NO+ 1 150.0913 -1.03
+  155.0814 C7H11N2O2+ 1 155.0815 -0.77
+  163.1113 C11H15O+ 1 163.1117 -2.46
+  167.0815 C8H11N2O2+ 1 167.0815 -0.29
+  167.1179 C9H15N2O+ 1 167.1179 -0.07
+  168.1382 C10H18NO+ 1 168.1383 -0.81
+  171.0764 C7H11N2O3+ 1 171.0764 0.11
+  180.1379 C11H18NO+ 1 180.1383 -2.21
+  181.0968 C9H13N2O2+ 1 181.0972 -2.14
+  183.149 C10H19N2O+ 1 183.1492 -0.77
+  186.1272 C13H16N+ 1 186.1277 -2.76
+  186.1483 C10H20NO2+ 2 186.1489 -2.82
+  192.1016 C11H14NO2+ 1 192.1019 -1.71
+  195.1125 C10H15N2O2+ 1 195.1128 -1.63
+  198.1483 C11H20NO2+ 2 198.1489 -2.74
+  201.1234 C9H17N2O3+ 1 201.1234 0.28
+  208.1324 C12H18NO2+ 2 208.1332 -3.79
+  211.1438 C11H19N2O2+ 2 211.1441 -1.54
+  216.159 C11H22NO3+ 2 216.1594 -1.79
+  235.1437 C13H19N2O2+ 3 235.1441 -1.76
+  261.18 C10H23N5O3+ 2 261.1795 1.67
+  266.1125 C12H16N3O4+ 2 266.1135 -3.89
+  295.2004 C14H25N5O2+ 4 295.2003 0.57
+  298.1755 C14H24N3O4+ 4 298.1761 -2
+  313.2116 CH35N3O14+ 6 313.2114 0.68
+PK$NUM_PEAK: 47
+PK$PEAK: m/z int. rel.int.
+  69.07 111249.3 10
+  70.0651 10697765 999
+  74.0599 139059.2 12
+  81.07 257716.2 24
+  84.0445 417717.1 39
+  84.081 209641.2 19
+  86.0964 1358811 126
+  91.0541 234304.9 21
+  98.06 595450.4 55
+  99.0804 253778.9 23
+  101.0711 176895.7 16
+  107.0855 112440.6 10
+  115.0865 506960 47
+  116.0707 231573.3 21
+  117.0698 383267 35
+  125.0963 239252.1 22
+  126.0548 449102.9 41
+  126.0912 260418.2 24
+  127.0865 1620962.8 151
+  129.0659 111578.5 10
+  134.0963 785716 73
+  143.1065 443753 41
+  150.0912 4676974.5 436
+  155.0814 1175046.9 109
+  163.1113 161075.6 15
+  167.0815 155076.2 14
+  167.1179 303240.7 28
+  168.1382 261119.8 24
+  171.0764 177767.5 16
+  180.1379 164488.1 15
+  181.0968 120136.9 11
+  183.149 2127197.8 198
+  186.1272 658712.6 61
+  186.1483 335317.8 31
+  192.1016 2093112.5 195
+  195.1125 334669.6 31
+  198.1483 222139.5 20
+  201.1234 190564.4 17
+  208.1324 216735.9 20
+  211.1438 634158.9 59
+  216.159 943245.1 88
+  235.1437 381335 35
+  261.18 356076.5 33
+  266.1125 296912.2 27
+  295.2004 358293.6 33
+  298.1755 232414.4 21
+  313.2116 1013692.5 94
+//
diff --git a/Eawag/MSBNK-EAWAG-EC004207.txt b/Eawag/MSBNK-EAWAG-EC004207.txt
new file mode 100644
index 0000000000..632027169d
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC004207.txt
@@ -0,0 +1,102 @@
+ACCESSION: MSBNK-EAWAG-EC004207
+RECORD_TITLE: Portoamide B; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1073/pnas.0914343107
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 42
+CH$NAME: Portoamide B
+CH$NAME: 1-((6R,9S,15S,18R,20aS,25aS,34R,40aS,E)-34-(3-amino-3-oxopropyl)-18-((S)-sec-butyl)-12-ethylidene-37-hydroxy-9-((R)-1-hydroxyethyl)-15-(hydroxymethyl)-5,8,11,14,17,20,25,30,33,36,40-undecaoxo-6-phenethyloctatriacontahydro-1H,25H-tripyrrolo[1,2-b1:1`,2`-g:1``,2``-j][1,4,7,10,13,16,19,22,25,28,31]undecaazacyclotetratriacontin-38-yl)-4,5-dihydroxy-7-methyloctan-2-yl N-acetyl-N-methyl-L-tyrosinate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C73H107N13O21
+CH$EXACT_MASS: 1501.770447
+CH$SMILES: O=C(NCC(N1[C@H](C(N2[C@H](C(N[C@@H](C(N[C@H](C(N/C(C(N[C@H](C(N[C@@H](C(N3[C@H](C(NC(C4O)CC(CC(C(CC(C)C)O)O)OC([C@@H](N(C(C)=O)C)CC5=CC=C(C=C5)O)=O)=O)CCC3)=O)CCC6=CC=CC=C6)=O)[C@H](O)C)=O)=C/C)=O)CO)=O)[C@H](CC)C)=O)CCC2)=O)CCC1)=O)[C@H](NC4=O)CCC(N)=O
+CH$IUPAC: InChI=1S/C73H107N13O21/c1-9-40(5)60-68(101)80-51(38-87)65(98)76-47(10-2)64(97)82-61(41(6)88)69(102)78-49(27-24-43-17-12-11-13-18-43)71(104)85-31-14-19-52(85)66(99)79-50(35-46(36-57(92)56(91)33-39(3)4)107-73(106)55(83(8)42(7)89)34-44-22-25-45(90)26-23-44)62(95)70(103)77-48(28-29-58(74)93)63(96)75-37-59(94)84-30-16-21-54(84)72(105)86-32-15-20-53(86)67(100)81-60/h10-13,17-18,22-23,25-26,39-41,46,48-57,60-62,87-88,90-92,95H,9,14-16,19-21,24,27-38H2,1-8H3,(H2,74,93)(H,75,96)(H,76,98)(H,77,103)(H,78,102)(H,79,99)(H,80,101)(H,81,100)(H,82,97)/b47-10+/t40-,41+,46?,48+,49+,50?,51-,52-,53-,54-,55-,56?,57?,60+,61-,62?/m0/s1
+CH$LINK: PUBCHEM CID:146683714
+CH$LINK: INCHIKEY XCGGFKXEWPNQFS-ABXPXLQLSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1554
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.471 min
+MS$FOCUSED_ION: BASE_PEAK 751.8923
+MS$FOCUSED_ION: PRECURSOR_M/Z 1502.7777
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00di-9600000000-36abb0fd8ae8f0b6f305
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  69.0699 C5H9+ 1 69.0699 0.34
+  70.0651 C4H8N+ 1 70.0651 -0.52
+  74.06 C3H8NO+ 1 74.06 -0.62
+  79.0542 C6H7+ 1 79.0542 -0.27
+  81.0698 C6H9+ 1 81.0699 -0.87
+  84.0443 C4H6NO+ 1 84.0444 -0.85
+  84.0807 C5H10N+ 1 84.0808 -0.31
+  86.0964 C5H12N+ 1 86.0964 -0.87
+  87.044 C4H7O2+ 1 87.0441 -0.56
+  91.0541 C7H7+ 1 91.0542 -1.28
+  98.06 C5H8NO+ 1 98.06 -0.71
+  99.0805 C6H11O+ 1 99.0804 0.29
+  101.0708 C4H9N2O+ 1 101.0709 -1.37
+  115.0865 C5H11N2O+ 1 115.0866 -0.68
+  116.0704 C5H10NO2+ 1 116.0706 -2.14
+  117.0697 C9H9+ 1 117.0699 -1.27
+  125.0963 C8H13O+ 1 125.0961 2.05
+  126.0547 C6H8NO2+ 1 126.055 -1.8
+  126.0911 C7H12NO+ 1 126.0913 -1.99
+  127.0864 C6H11N2O+ 1 127.0866 -1.35
+  134.0963 C9H12N+ 1 134.0964 -1.28
+  139.0864 C7H11N2O+ 1 139.0866 -1.41
+  143.1065 C8H15O2+ 1 143.1067 -1.44
+  150.0911 C9H12NO+ 1 150.0913 -1.54
+  155.0814 C7H11N2O2+ 1 155.0815 -0.97
+  183.1489 C10H19N2O+ 1 183.1492 -1.61
+  186.1275 C13H16N+ 1 186.1277 -1.2
+  186.1489 C10H20NO2+ 1 186.1489 0.05
+  192.1011 C11H14NO2+ 2 192.1019 -4.17
+  216.159 C11H22NO3+ 2 216.1594 -1.93
+PK$NUM_PEAK: 30
+PK$PEAK: m/z int. rel.int.
+  69.0699 169456.2 11
+  70.0651 14514929 999
+  74.06 152387.7 10
+  79.0542 154312.4 10
+  81.0698 499545.8 34
+  84.0443 797971.4 54
+  84.0807 200766 13
+  86.0964 1432877.2 98
+  87.044 224451.9 15
+  91.0541 557562.9 38
+  98.06 885397.4 60
+  99.0805 432815.8 29
+  101.0708 169142.2 11
+  115.0865 292674.3 20
+  116.0704 172303 11
+  117.0697 517547.3 35
+  125.0963 228057.1 15
+  126.0547 425100.6 29
+  126.0911 194557.1 13
+  127.0864 1510654.9 103
+  134.0963 663660.2 45
+  139.0864 146132.2 10
+  143.1065 469455.4 32
+  150.0911 5642266 388
+  155.0814 741429.6 51
+  183.1489 1384365.2 95
+  186.1275 688901.9 47
+  186.1489 224200.6 15
+  192.1011 672187.2 46
+  216.159 455318.8 31
+//
diff --git a/Eawag/MSBNK-EAWAG-EC004208.txt b/Eawag/MSBNK-EAWAG-EC004208.txt
new file mode 100644
index 0000000000..7c7e2a3aed
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC004208.txt
@@ -0,0 +1,90 @@
+ACCESSION: MSBNK-EAWAG-EC004208
+RECORD_TITLE: Portoamide B; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1073/pnas.0914343107
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 42
+CH$NAME: Portoamide B
+CH$NAME: 1-((6R,9S,15S,18R,20aS,25aS,34R,40aS,E)-34-(3-amino-3-oxopropyl)-18-((S)-sec-butyl)-12-ethylidene-37-hydroxy-9-((R)-1-hydroxyethyl)-15-(hydroxymethyl)-5,8,11,14,17,20,25,30,33,36,40-undecaoxo-6-phenethyloctatriacontahydro-1H,25H-tripyrrolo[1,2-b1:1`,2`-g:1``,2``-j][1,4,7,10,13,16,19,22,25,28,31]undecaazacyclotetratriacontin-38-yl)-4,5-dihydroxy-7-methyloctan-2-yl N-acetyl-N-methyl-L-tyrosinate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C73H107N13O21
+CH$EXACT_MASS: 1501.770447
+CH$SMILES: O=C(NCC(N1[C@H](C(N2[C@H](C(N[C@@H](C(N[C@H](C(N/C(C(N[C@H](C(N[C@@H](C(N3[C@H](C(NC(C4O)CC(CC(C(CC(C)C)O)O)OC([C@@H](N(C(C)=O)C)CC5=CC=C(C=C5)O)=O)=O)CCC3)=O)CCC6=CC=CC=C6)=O)[C@H](O)C)=O)=C/C)=O)CO)=O)[C@H](CC)C)=O)CCC2)=O)CCC1)=O)[C@H](NC4=O)CCC(N)=O
+CH$IUPAC: InChI=1S/C73H107N13O21/c1-9-40(5)60-68(101)80-51(38-87)65(98)76-47(10-2)64(97)82-61(41(6)88)69(102)78-49(27-24-43-17-12-11-13-18-43)71(104)85-31-14-19-52(85)66(99)79-50(35-46(36-57(92)56(91)33-39(3)4)107-73(106)55(83(8)42(7)89)34-44-22-25-45(90)26-23-44)62(95)70(103)77-48(28-29-58(74)93)63(96)75-37-59(94)84-30-16-21-54(84)72(105)86-32-15-20-53(86)67(100)81-60/h10-13,17-18,22-23,25-26,39-41,46,48-57,60-62,87-88,90-92,95H,9,14-16,19-21,24,27-38H2,1-8H3,(H2,74,93)(H,75,96)(H,76,98)(H,77,103)(H,78,102)(H,79,99)(H,80,101)(H,81,100)(H,82,97)/b47-10+/t40-,41+,46?,48+,49+,50?,51-,52-,53-,54-,55-,56?,57?,60+,61-,62?/m0/s1
+CH$LINK: PUBCHEM CID:146683714
+CH$LINK: INCHIKEY XCGGFKXEWPNQFS-ABXPXLQLSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1554
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.471 min
+MS$FOCUSED_ION: BASE_PEAK 751.8923
+MS$FOCUSED_ION: PRECURSOR_M/Z 1502.7777
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00di-9300000000-0f1b1c09a32ca1fc4621
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  69.0699 C5H9+ 1 69.0699 0.01
+  70.0651 C4H8N+ 1 70.0651 -0.52
+  74.06 C3H8NO+ 1 74.06 -0.2
+  79.0542 C6H7+ 1 79.0542 -0.66
+  81.0699 C6H9+ 1 81.0699 -0.21
+  84.0443 C4H6NO+ 1 84.0444 -0.76
+  86.0963 C5H12N+ 1 86.0964 -0.96
+  87.0441 C4H7O2+ 1 87.0441 -0.03
+  91.0542 C7H7+ 1 91.0542 -0.78
+  98.0599 C5H8NO+ 1 98.06 -0.94
+  99.0804 C6H11O+ 1 99.0804 0.06
+  115.0865 C5H11N2O+ 1 115.0866 -0.88
+  117.0698 C9H9+ 1 117.0699 -0.61
+  125.0959 C8H13O+ 1 125.0961 -1.25
+  126.0548 C6H8NO2+ 1 126.055 -1.38
+  126.0911 C7H12NO+ 1 126.0913 -1.75
+  127.0864 C6H11N2O+ 1 127.0866 -1.41
+  134.0963 C9H12N+ 1 134.0964 -0.71
+  135.0673 C8H9NO+ 1 135.0679 -4.04
+  139.0865 C7H11N2O+ 1 139.0866 -0.76
+  143.1061 C8H15O2+ 1 143.1067 -3.78
+  150.0911 C9H12NO+ 1 150.0913 -1.54
+  155.0813 C7H11N2O2+ 1 155.0815 -1.07
+  183.1489 C10H19N2O+ 1 183.1492 -1.61
+PK$NUM_PEAK: 24
+PK$PEAK: m/z int. rel.int.
+  69.0699 217184 13
+  70.0651 16469996 999
+  74.06 211115.5 12
+  79.0542 273043.8 16
+  81.0699 677215.4 41
+  84.0443 1113444.8 67
+  86.0963 1213702.2 73
+  87.0441 233131.4 14
+  91.0542 1148360.4 69
+  98.0599 1066702.9 64
+  99.0804 414963.7 25
+  115.0865 188696.6 11
+  117.0698 612347.2 37
+  125.0959 265855.6 16
+  126.0548 255060.5 15
+  126.0911 182528.7 11
+  127.0864 1106571.8 67
+  134.0963 479575.5 29
+  135.0673 264563.5 16
+  139.0865 171639.5 10
+  143.1061 295577.1 17
+  150.0911 5540941 336
+  155.0813 296157.2 17
+  183.1489 469444.6 28
+//
diff --git a/Eawag/MSBNK-EAWAG-EC004209.txt b/Eawag/MSBNK-EAWAG-EC004209.txt
new file mode 100644
index 0000000000..4a43821ed3
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC004209.txt
@@ -0,0 +1,90 @@
+ACCESSION: MSBNK-EAWAG-EC004209
+RECORD_TITLE: Portoamide B; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1073/pnas.0914343107
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 42
+CH$NAME: Portoamide B
+CH$NAME: 1-((6R,9S,15S,18R,20aS,25aS,34R,40aS,E)-34-(3-amino-3-oxopropyl)-18-((S)-sec-butyl)-12-ethylidene-37-hydroxy-9-((R)-1-hydroxyethyl)-15-(hydroxymethyl)-5,8,11,14,17,20,25,30,33,36,40-undecaoxo-6-phenethyloctatriacontahydro-1H,25H-tripyrrolo[1,2-b1:1`,2`-g:1``,2``-j][1,4,7,10,13,16,19,22,25,28,31]undecaazacyclotetratriacontin-38-yl)-4,5-dihydroxy-7-methyloctan-2-yl N-acetyl-N-methyl-L-tyrosinate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C73H107N13O21
+CH$EXACT_MASS: 1501.770447
+CH$SMILES: O=C(NCC(N1[C@H](C(N2[C@H](C(N[C@@H](C(N[C@H](C(N/C(C(N[C@H](C(N[C@@H](C(N3[C@H](C(NC(C4O)CC(CC(C(CC(C)C)O)O)OC([C@@H](N(C(C)=O)C)CC5=CC=C(C=C5)O)=O)=O)CCC3)=O)CCC6=CC=CC=C6)=O)[C@H](O)C)=O)=C/C)=O)CO)=O)[C@H](CC)C)=O)CCC2)=O)CCC1)=O)[C@H](NC4=O)CCC(N)=O
+CH$IUPAC: InChI=1S/C73H107N13O21/c1-9-40(5)60-68(101)80-51(38-87)65(98)76-47(10-2)64(97)82-61(41(6)88)69(102)78-49(27-24-43-17-12-11-13-18-43)71(104)85-31-14-19-52(85)66(99)79-50(35-46(36-57(92)56(91)33-39(3)4)107-73(106)55(83(8)42(7)89)34-44-22-25-45(90)26-23-44)62(95)70(103)77-48(28-29-58(74)93)63(96)75-37-59(94)84-30-16-21-54(84)72(105)86-32-15-20-53(86)67(100)81-60/h10-13,17-18,22-23,25-26,39-41,46,48-57,60-62,87-88,90-92,95H,9,14-16,19-21,24,27-38H2,1-8H3,(H2,74,93)(H,75,96)(H,76,98)(H,77,103)(H,78,102)(H,79,99)(H,80,101)(H,81,100)(H,82,97)/b47-10+/t40-,41+,46?,48+,49+,50?,51-,52-,53-,54-,55-,56?,57?,60+,61-,62?/m0/s1
+CH$LINK: PUBCHEM CID:146683714
+CH$LINK: INCHIKEY XCGGFKXEWPNQFS-ABXPXLQLSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1554
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.471 min
+MS$FOCUSED_ION: BASE_PEAK 751.8923
+MS$FOCUSED_ION: PRECURSOR_M/Z 1502.7777
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00di-9400000000-e7111f2863136be675c7
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  67.0541 C5H7+ 1 67.0542 -1.45
+  69.0698 C5H9+ 1 69.0699 -1.54
+  70.0651 C4H8N+ 1 70.0651 -0.3
+  74.0601 C3H8NO+ 1 74.06 0.62
+  81.0699 C6H9+ 1 81.0699 0.17
+  84.0444 C4H6NO+ 1 84.0444 -0.4
+  86.0964 C5H12N+ 1 86.0964 -0.34
+  91.0542 C7H7+ 1 91.0542 -0.45
+  98.06 C5H8NO+ 1 98.06 -0.79
+  99.0804 C6H11O+ 1 99.0804 -0.4
+  107.0856 C8H11+ 1 107.0855 0.38
+  115.0864 C5H11N2O+ 1 115.0866 -1.68
+  117.0698 C9H9+ 1 117.0699 -1
+  119.0491 C8H7O+ 1 119.0491 -0.53
+  126.055 C6H8NO2+ 1 126.055 0.44
+  126.0912 C7H12NO+ 1 126.0913 -1.51
+  127.0864 C6H11N2O+ 1 127.0866 -1.23
+  134.0961 C9H12N+ 1 134.0964 -2.08
+  135.0674 C8H9NO+ 1 135.0679 -3.36
+  139.0866 C7H11N2O+ 1 139.0866 0.01
+  143.1068 C8H15O2+ 1 143.1067 0.8
+  150.0911 C9H12NO+ 1 150.0913 -1.34
+  155.081 C7H11N2O2+ 1 155.0815 -2.94
+  183.149 C10H19N2O+ 1 183.1492 -1.11
+PK$NUM_PEAK: 24
+PK$PEAK: m/z int. rel.int.
+  67.0541 195470.2 10
+  69.0698 273524.2 14
+  70.0651 18236552 999
+  74.0601 199333.9 10
+  81.0699 795625 43
+  84.0444 1289869 70
+  86.0964 1350172.4 73
+  91.0542 1294479 70
+  98.06 1092438.2 59
+  99.0804 506856.5 27
+  107.0856 344241.3 18
+  115.0864 209026.9 11
+  117.0698 665818.4 36
+  119.0491 298337.9 16
+  126.055 322339.3 17
+  126.0912 199725 10
+  127.0864 1113025.9 60
+  134.0961 477606.2 26
+  135.0674 294959.2 16
+  139.0866 200134.9 10
+  143.1068 319289.7 17
+  150.0911 5967486 326
+  155.081 328765.6 18
+  183.149 524369.8 28
+//
diff --git a/Eawag/MSBNK-EAWAG-EC013701.txt b/Eawag/MSBNK-EAWAG-EC013701.txt
new file mode 100644
index 0000000000..2d88ac5367
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC013701.txt
@@ -0,0 +1,64 @@
+ACCESSION: MSBNK-EAWAG-EC013701
+RECORD_TITLE: Namalide D; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], D. Fewer [dtc], J. Jokela [dtc], M. Wahlsten [dtc], T. Shishido [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://pubs.acs.org/doi/10.1021/acschembio.7b00570
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 137
+CH$NAME: Namalide D
+CH$NAME: 2?({[6?(butan?2?yl)?2,5,8?trioxo?3?(2?phenylethyl)?1,4,7?triazacyclotridecan?9?yl]carbamoyl}amino)?3?methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C29H45N5O6
+CH$EXACT_MASS: 559.3369842
+CH$SMILES: O=C(C(C(C)CC)NC(C(CCCCN1)NC(NC(C(O)=O)C(CC)C)=O)=O)NC(C1=O)CCC2=CC=CC=C2
+CH$IUPAC: InChI=1S/C29H45N5O6/c1-5-18(3)23-27(37)31-22(16-15-20-12-8-7-9-13-20)25(35)30-17-11-10-14-21(26(36)33-23)32-29(40)34-24(28(38)39)19(4)6-2/h7-9,12-13,18-19,21-24H,5-6,10-11,14-17H2,1-4H3,(H,30,35)(H,31,37)(H,33,36)(H,38,39)(H2,32,34,40)
+CH$LINK: PUBCHEM CID:146683660
+CH$LINK: INCHIKEY YLSOIPHOXMRWGW-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-593
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.723 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 560.3443
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-03di-0000290000-465a06966c3182eeb99a
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  84.0809 C5H10N+ 1 84.0808 0.96
+  245.1645 C15H21N2O+ 2 245.1648 -1.21
+  275.1745 C16H23N2O2+ 2 275.1754 -3.37
+  388.2603 C24H36O4+ 3 388.2608 -1.2
+  403.2708 C22H35N4O3+ 2 403.2704 0.96
+  419.2658 C22H35N4O4+ 2 419.2653 1.21
+  429.2498 C23H33N4O4+ 2 429.2496 0.48
+  447.2606 C23H35N4O5+ 2 447.2602 0.89
+  532.35 C28H46N5O5+ 1 532.3493 1.32
+  542.3341 C29H44N5O5+ 1 542.3337 0.68
+  560.3445 C29H46N5O6+ 1 560.3443 0.45
+PK$NUM_PEAK: 11
+PK$PEAK: m/z int. rel.int.
+  84.0809 123859 91
+  245.1645 29139.6 21
+  275.1745 18007.4 13
+  388.2603 13599.7 10
+  403.2708 161387 118
+  419.2658 47396.2 34
+  429.2498 137801.8 101
+  447.2606 183244.9 134
+  532.35 299686.6 220
+  542.3341 18885.1 13
+  560.3445 1356820.2 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC013702.txt b/Eawag/MSBNK-EAWAG-EC013702.txt
new file mode 100644
index 0000000000..d1e22eb178
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC013702.txt
@@ -0,0 +1,68 @@
+ACCESSION: MSBNK-EAWAG-EC013702
+RECORD_TITLE: Namalide D; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], D. Fewer [dtc], J. Jokela [dtc], M. Wahlsten [dtc], T. Shishido [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://pubs.acs.org/doi/10.1021/acschembio.7b00570
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 137
+CH$NAME: Namalide D
+CH$NAME: 2?({[6?(butan?2?yl)?2,5,8?trioxo?3?(2?phenylethyl)?1,4,7?triazacyclotridecan?9?yl]carbamoyl}amino)?3?methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C29H45N5O6
+CH$EXACT_MASS: 559.3369842
+CH$SMILES: O=C(C(C(C)CC)NC(C(CCCCN1)NC(NC(C(O)=O)C(CC)C)=O)=O)NC(C1=O)CCC2=CC=CC=C2
+CH$IUPAC: InChI=1S/C29H45N5O6/c1-5-18(3)23-27(37)31-22(16-15-20-12-8-7-9-13-20)25(35)30-17-11-10-14-21(26(36)33-23)32-29(40)34-24(28(38)39)19(4)6-2/h7-9,12-13,18-19,21-24H,5-6,10-11,14-17H2,1-4H3,(H,30,35)(H,31,37)(H,33,36)(H,38,39)(H2,32,34,40)
+CH$LINK: PUBCHEM CID:146683660
+CH$LINK: INCHIKEY YLSOIPHOXMRWGW-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-593
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.723 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 560.3443
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-01qa-2021960000-6afca6cc967a04017b41
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  84.0808 C5H10N+ 1 84.0808 0.87
+  129.1023 C6H13N2O+ 1 129.1022 0.67
+  227.1762 C12H23N2O2+ 1 227.1754 3.37
+  245.1647 C15H21N2O+ 2 245.1648 -0.58
+  275.1756 C16H23N2O2+ 1 275.1754 0.84
+  334.1762 C17H24N3O4+ 2 334.1761 0.15
+  401.2548 C22H33N4O3+ 2 401.2547 0.27
+  403.2705 C22H35N4O3+ 2 403.2704 0.43
+  419.2655 C22H35N4O4+ 2 419.2653 0.41
+  429.2499 C23H33N4O4+ 2 429.2496 0.62
+  447.2606 C23H35N4O5+ 2 447.2602 0.96
+  532.3494 C28H46N5O5+ 1 532.3493 0.18
+  560.3448 C29H46N5O6+ 1 560.3443 1
+PK$NUM_PEAK: 13
+PK$PEAK: m/z int. rel.int.
+  84.0808 251454.9 571
+  129.1023 14166 32
+  227.1762 17291.9 39
+  245.1647 147740.5 336
+  275.1756 86540.4 196
+  334.1762 124315.8 282
+  401.2548 123970.8 281
+  403.2705 148590.6 337
+  419.2655 133017.2 302
+  429.2499 155987.3 354
+  447.2606 439198.1 999
+  532.3494 353700.7 804
+  560.3448 392209 892
+//
diff --git a/Eawag/MSBNK-EAWAG-EC013703.txt b/Eawag/MSBNK-EAWAG-EC013703.txt
new file mode 100644
index 0000000000..2d2a68b211
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC013703.txt
@@ -0,0 +1,82 @@
+ACCESSION: MSBNK-EAWAG-EC013703
+RECORD_TITLE: Namalide D; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], D. Fewer [dtc], J. Jokela [dtc], M. Wahlsten [dtc], T. Shishido [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://pubs.acs.org/doi/10.1021/acschembio.7b00570
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 137
+CH$NAME: Namalide D
+CH$NAME: 2?({[6?(butan?2?yl)?2,5,8?trioxo?3?(2?phenylethyl)?1,4,7?triazacyclotridecan?9?yl]carbamoyl}amino)?3?methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C29H45N5O6
+CH$EXACT_MASS: 559.3369842
+CH$SMILES: O=C(C(C(C)CC)NC(C(CCCCN1)NC(NC(C(O)=O)C(CC)C)=O)=O)NC(C1=O)CCC2=CC=CC=C2
+CH$IUPAC: InChI=1S/C29H45N5O6/c1-5-18(3)23-27(37)31-22(16-15-20-12-8-7-9-13-20)25(35)30-17-11-10-14-21(26(36)33-23)32-29(40)34-24(28(38)39)19(4)6-2/h7-9,12-13,18-19,21-24H,5-6,10-11,14-17H2,1-4H3,(H,30,35)(H,31,37)(H,33,36)(H,38,39)(H2,32,34,40)
+CH$LINK: PUBCHEM CID:146683660
+CH$LINK: INCHIKEY YLSOIPHOXMRWGW-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-593
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.723 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 560.3443
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-000t-3162910000-d2bad29414c70abd4207
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  84.0808 C5H10N+ 1 84.0808 0.33
+  86.0966 C5H12N+ 1 86.0964 2.51
+  129.1023 C6H13N2O+ 1 129.1022 0.32
+  134.0964 C9H12N+ 1 134.0964 -0.03
+  173.0921 C7H13N2O3+ 1 173.0921 0.31
+  190.1194 C7H16N3O3+ 2 190.1186 3.94
+  227.1755 C12H23N2O2+ 1 227.1754 0.48
+  245.1648 C15H21N2O+ 1 245.1648 -0.27
+  247.1805 C15H23N2O+ 1 247.1805 0.24
+  258.1816 C12H24N3O3+ 2 258.1812 1.65
+  268.1661 C13H22N3O3+ 2 268.1656 2.08
+  275.1757 C16H23N2O2+ 1 275.1754 0.95
+  286.1756 C13H24N3O4+ 1 286.1761 -1.74
+  315.2432 C20H31N2O+ 2 315.2431 0.25
+  334.1763 C17H24N3O4+ 2 334.1761 0.61
+  401.2555 C22H33N4O3+ 3 401.2547 2.02
+  419.2654 C22H35N4O4+ 2 419.2653 0.19
+  429.2497 C23H33N4O4+ 2 429.2496 0.2
+  447.2602 C23H35N4O5+ 2 447.2602 0
+  532.3496 C28H46N5O5+ 1 532.3493 0.41
+PK$NUM_PEAK: 20
+PK$PEAK: m/z int. rel.int.
+  84.0808 404652.4 971
+  86.0966 23316.3 55
+  129.1023 58371.5 140
+  134.0964 56020.5 134
+  173.0921 24956 59
+  190.1194 21483.9 51
+  227.1755 38032.4 91
+  245.1648 287857.6 690
+  247.1805 87187.7 209
+  258.1816 26997.8 64
+  268.1661 23613 56
+  275.1757 157728 378
+  286.1756 32698.7 78
+  315.2432 23409.9 56
+  334.1763 240827.5 577
+  401.2555 228406.1 548
+  419.2654 226877.8 544
+  429.2497 104949.6 251
+  447.2602 416269.1 999
+  532.3496 137131.3 329
+//
diff --git a/Eawag/MSBNK-EAWAG-EC013704.txt b/Eawag/MSBNK-EAWAG-EC013704.txt
new file mode 100644
index 0000000000..14dd6b9f36
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC013704.txt
@@ -0,0 +1,78 @@
+ACCESSION: MSBNK-EAWAG-EC013704
+RECORD_TITLE: Namalide D; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], D. Fewer [dtc], J. Jokela [dtc], M. Wahlsten [dtc], T. Shishido [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://pubs.acs.org/doi/10.1021/acschembio.7b00570
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 137
+CH$NAME: Namalide D
+CH$NAME: 2?({[6?(butan?2?yl)?2,5,8?trioxo?3?(2?phenylethyl)?1,4,7?triazacyclotridecan?9?yl]carbamoyl}amino)?3?methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C29H45N5O6
+CH$EXACT_MASS: 559.3369842
+CH$SMILES: O=C(C(C(C)CC)NC(C(CCCCN1)NC(NC(C(O)=O)C(CC)C)=O)=O)NC(C1=O)CCC2=CC=CC=C2
+CH$IUPAC: InChI=1S/C29H45N5O6/c1-5-18(3)23-27(37)31-22(16-15-20-12-8-7-9-13-20)25(35)30-17-11-10-14-21(26(36)33-23)32-29(40)34-24(28(38)39)19(4)6-2/h7-9,12-13,18-19,21-24H,5-6,10-11,14-17H2,1-4H3,(H,30,35)(H,31,37)(H,33,36)(H,38,39)(H2,32,34,40)
+CH$LINK: PUBCHEM CID:146683660
+CH$LINK: INCHIKEY YLSOIPHOXMRWGW-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-593
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.723 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 560.3443
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-001j-7395600000-c0010690fe94f5e8a023
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  84.0808 C5H10N+ 1 84.0808 0.24
+  86.0966 C5H12N+ 1 86.0964 2.51
+  129.1022 C6H13N2O+ 1 129.1022 -0.39
+  134.0963 C9H12N+ 1 134.0964 -1.17
+  173.092 C7H13N2O3+ 1 173.0921 -0.3
+  190.1181 C7H16N3O3+ 1 190.1186 -2.8
+  202.1591 C14H20N+ 1 202.159 0.57
+  227.1754 C12H23N2O2+ 1 227.1754 0.01
+  240.1704 C12H22N3O2+ 1 240.1707 -1.09
+  245.1648 C15H21N2O+ 1 245.1648 -0.21
+  247.1804 C15H23N2O+ 2 247.1805 -0.44
+  258.1809 C12H24N3O3+ 1 258.1812 -1.3
+  275.1755 C16H23N2O2+ 1 275.1754 0.4
+  334.1762 C17H24N3O4+ 2 334.1761 0.15
+  375.2754 C21H35N4O2+ 3 375.2755 -0.01
+  401.2546 C22H33N4O3+ 2 401.2547 -0.27
+  419.2651 C22H35N4O4+ 2 419.2653 -0.46
+  447.2604 C23H35N4O5+ 2 447.2602 0.41
+PK$NUM_PEAK: 18
+PK$PEAK: m/z int. rel.int.
+  84.0808 498601.4 999
+  86.0966 60441.4 121
+  129.1022 114313.8 229
+  134.0963 113288.6 226
+  173.092 44164.7 88
+  190.1181 7924.5 15
+  202.1591 16246.6 32
+  227.1754 29046.6 58
+  240.1704 43881.1 87
+  245.1648 288087.9 577
+  247.1804 166379.9 333
+  258.1809 19282.9 38
+  275.1755 129076.1 258
+  334.1762 354667.2 710
+  375.2754 54344.1 108
+  401.2546 189247.8 379
+  419.2651 180768.3 362
+  447.2604 135295.5 271
+//
diff --git a/Eawag/MSBNK-EAWAG-EC013705.txt b/Eawag/MSBNK-EAWAG-EC013705.txt
new file mode 100644
index 0000000000..44af02f79f
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC013705.txt
@@ -0,0 +1,86 @@
+ACCESSION: MSBNK-EAWAG-EC013705
+RECORD_TITLE: Namalide D; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], D. Fewer [dtc], J. Jokela [dtc], M. Wahlsten [dtc], T. Shishido [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://pubs.acs.org/doi/10.1021/acschembio.7b00570
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 137
+CH$NAME: Namalide D
+CH$NAME: 2?({[6?(butan?2?yl)?2,5,8?trioxo?3?(2?phenylethyl)?1,4,7?triazacyclotridecan?9?yl]carbamoyl}amino)?3?methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C29H45N5O6
+CH$EXACT_MASS: 559.3369842
+CH$SMILES: O=C(C(C(C)CC)NC(C(CCCCN1)NC(NC(C(O)=O)C(CC)C)=O)=O)NC(C1=O)CCC2=CC=CC=C2
+CH$IUPAC: InChI=1S/C29H45N5O6/c1-5-18(3)23-27(37)31-22(16-15-20-12-8-7-9-13-20)25(35)30-17-11-10-14-21(26(36)33-23)32-29(40)34-24(28(38)39)19(4)6-2/h7-9,12-13,18-19,21-24H,5-6,10-11,14-17H2,1-4H3,(H,30,35)(H,31,37)(H,33,36)(H,38,39)(H2,32,34,40)
+CH$LINK: PUBCHEM CID:146683660
+CH$LINK: INCHIKEY YLSOIPHOXMRWGW-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-593
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.723 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 560.3443
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-001i-9733000000-218cc5f14bbdcac26f49
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  84.0808 C5H10N+ 1 84.0808 0.05
+  86.0964 C5H12N+ 1 86.0964 -0.24
+  117.0697 C9H9+ 1 117.0699 -1.55
+  129.1022 C6H13N2O+ 1 129.1022 -0.51
+  132.102 C6H14NO2+ 1 132.1019 0.51
+  134.0963 C9H12N+ 1 134.0964 -0.71
+  147.1125 C6H15N2O2+ 1 147.1128 -2.22
+  173.092 C7H13N2O3+ 1 173.0921 -0.21
+  197.1648 C11H21N2O+ 1 197.1648 -0.26
+  240.1708 C12H22N3O2+ 2 240.1707 0.69
+  245.1646 C15H21N2O+ 2 245.1648 -1.14
+  247.1803 C15H23N2O+ 2 247.1805 -0.87
+  250.154 C13H20N3O2+ 1 250.155 -3.9
+  268.1651 C13H22N3O3+ 1 268.1656 -1.79
+  286.1758 C13H24N3O4+ 1 286.1761 -1
+  288.1699 C16H22N3O2+ 1 288.1707 -2.5
+  315.243 C20H31N2O+ 2 315.2431 -0.13
+  334.1762 C17H24N3O4+ 2 334.1761 0.06
+  356.234 C21H30N3O2+ 2 356.2333 2.03
+  376.2597 C21H34N3O3+ 2 376.2595 0.7
+  401.2531 C22H33N4O3+ 2 401.2547 -3.99
+  419.2648 C22H35N4O4+ 2 419.2653 -1.19
+PK$NUM_PEAK: 22
+PK$PEAK: m/z int. rel.int.
+  84.0808 804618.6 999
+  86.0964 212866.2 264
+  117.0697 35433 43
+  129.1022 225280.8 279
+  132.102 23411.2 29
+  134.0963 422486 524
+  147.1125 14011.4 17
+  173.092 89132.1 110
+  197.1648 10030.7 12
+  240.1708 94327.4 117
+  245.1646 103886.5 128
+  247.1803 116235.5 144
+  250.154 54308 67
+  268.1651 23273 28
+  286.1758 35867 44
+  288.1699 14472.2 17
+  315.243 22049.9 27
+  334.1762 340889.7 423
+  356.234 30561 37
+  376.2597 46233.8 57
+  401.2531 47387.7 58
+  419.2648 26930.3 33
+//
diff --git a/Eawag/MSBNK-EAWAG-EC013706.txt b/Eawag/MSBNK-EAWAG-EC013706.txt
new file mode 100644
index 0000000000..23c1bf63fd
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC013706.txt
@@ -0,0 +1,68 @@
+ACCESSION: MSBNK-EAWAG-EC013706
+RECORD_TITLE: Namalide D; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], D. Fewer [dtc], J. Jokela [dtc], M. Wahlsten [dtc], T. Shishido [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://pubs.acs.org/doi/10.1021/acschembio.7b00570
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 137
+CH$NAME: Namalide D
+CH$NAME: 2?({[6?(butan?2?yl)?2,5,8?trioxo?3?(2?phenylethyl)?1,4,7?triazacyclotridecan?9?yl]carbamoyl}amino)?3?methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C29H45N5O6
+CH$EXACT_MASS: 559.3369842
+CH$SMILES: O=C(C(C(C)CC)NC(C(CCCCN1)NC(NC(C(O)=O)C(CC)C)=O)=O)NC(C1=O)CCC2=CC=CC=C2
+CH$IUPAC: InChI=1S/C29H45N5O6/c1-5-18(3)23-27(37)31-22(16-15-20-12-8-7-9-13-20)25(35)30-17-11-10-14-21(26(36)33-23)32-29(40)34-24(28(38)39)19(4)6-2/h7-9,12-13,18-19,21-24H,5-6,10-11,14-17H2,1-4H3,(H,30,35)(H,31,37)(H,33,36)(H,38,39)(H2,32,34,40)
+CH$LINK: PUBCHEM CID:146683660
+CH$LINK: INCHIKEY YLSOIPHOXMRWGW-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-593
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.723 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 560.3443
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-001i-9810000000-bdf45c4c016ed899fd89
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  84.0808 C5H10N+ 1 84.0808 0.05
+  86.0965 C5H12N+ 1 86.0964 0.38
+  91.0543 C7H7+ 1 91.0542 1.03
+  117.0698 C9H9+ 1 117.0699 -0.57
+  129.1022 C6H13N2O+ 1 129.1022 -0.63
+  134.0964 C9H12N+ 1 134.0964 -0.49
+  147.1129 C6H15N2O2+ 1 147.1128 0.89
+  154.1593 C10H20N+ 1 154.159 2.01
+  155.0813 C7H11N2O2+ 1 155.0815 -1.2
+  173.0917 C7H13N2O3+ 1 173.0921 -2.07
+  202.159 C14H20N+ 1 202.159 -0.26
+  240.1704 C12H22N3O2+ 1 240.1707 -1.02
+  334.1756 C17H24N3O4+ 1 334.1761 -1.49
+PK$NUM_PEAK: 13
+PK$PEAK: m/z int. rel.int.
+  84.0808 1029111.3 999
+  86.0965 330532.7 320
+  91.0543 78387 76
+  117.0698 131900.4 128
+  129.1022 250803.7 243
+  134.0964 674356.1 654
+  147.1129 12093 11
+  154.1593 55951.1 54
+  155.0813 67606 65
+  173.0917 86888.2 84
+  202.159 85781 83
+  240.1704 101772.3 98
+  334.1756 88961.4 86
+//
diff --git a/Eawag/MSBNK-EAWAG-EC013707.txt b/Eawag/MSBNK-EAWAG-EC013707.txt
new file mode 100644
index 0000000000..ddbd4f7af5
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC013707.txt
@@ -0,0 +1,62 @@
+ACCESSION: MSBNK-EAWAG-EC013707
+RECORD_TITLE: Namalide D; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], D. Fewer [dtc], J. Jokela [dtc], M. Wahlsten [dtc], T. Shishido [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://pubs.acs.org/doi/10.1021/acschembio.7b00570
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 137
+CH$NAME: Namalide D
+CH$NAME: 2?({[6?(butan?2?yl)?2,5,8?trioxo?3?(2?phenylethyl)?1,4,7?triazacyclotridecan?9?yl]carbamoyl}amino)?3?methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C29H45N5O6
+CH$EXACT_MASS: 559.3369842
+CH$SMILES: O=C(C(C(C)CC)NC(C(CCCCN1)NC(NC(C(O)=O)C(CC)C)=O)=O)NC(C1=O)CCC2=CC=CC=C2
+CH$IUPAC: InChI=1S/C29H45N5O6/c1-5-18(3)23-27(37)31-22(16-15-20-12-8-7-9-13-20)25(35)30-17-11-10-14-21(26(36)33-23)32-29(40)34-24(28(38)39)19(4)6-2/h7-9,12-13,18-19,21-24H,5-6,10-11,14-17H2,1-4H3,(H,30,35)(H,31,37)(H,33,36)(H,38,39)(H2,32,34,40)
+CH$LINK: PUBCHEM CID:146683660
+CH$LINK: INCHIKEY YLSOIPHOXMRWGW-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-593
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.723 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 560.3443
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-001i-9500000000-fed829382c76087992b6
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  69.0698 C5H9+ 1 69.0699 -0.53
+  84.0808 C5H10N+ 1 84.0808 0.05
+  86.0964 C5H12N+ 1 86.0964 0.12
+  91.0543 C7H7+ 1 91.0542 0.36
+  117.0698 C9H9+ 1 117.0699 -0.77
+  129.1021 C6H13N2O+ 1 129.1022 -0.74
+  134.0964 C9H12N+ 1 134.0964 -0.49
+  154.159 C10H20N+ 1 154.159 -0.47
+  155.0816 C7H11N2O2+ 1 155.0815 0.77
+  240.1707 C12H22N3O2+ 1 240.1707 0.25
+PK$NUM_PEAK: 10
+PK$PEAK: m/z int. rel.int.
+  69.0698 42508.9 38
+  84.0808 1094387.4 999
+  86.0964 353188.8 322
+  91.0543 216737.1 197
+  117.0698 213690.9 195
+  129.1021 196651.7 179
+  134.0964 531623.6 485
+  154.159 26872.7 24
+  155.0816 62569.9 57
+  240.1707 36083.8 32
+//
diff --git a/Eawag/MSBNK-EAWAG-EC013708.txt b/Eawag/MSBNK-EAWAG-EC013708.txt
new file mode 100644
index 0000000000..c1570b7847
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC013708.txt
@@ -0,0 +1,62 @@
+ACCESSION: MSBNK-EAWAG-EC013708
+RECORD_TITLE: Namalide D; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], D. Fewer [dtc], J. Jokela [dtc], M. Wahlsten [dtc], T. Shishido [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://pubs.acs.org/doi/10.1021/acschembio.7b00570
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 137
+CH$NAME: Namalide D
+CH$NAME: 2?({[6?(butan?2?yl)?2,5,8?trioxo?3?(2?phenylethyl)?1,4,7?triazacyclotridecan?9?yl]carbamoyl}amino)?3?methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C29H45N5O6
+CH$EXACT_MASS: 559.3369842
+CH$SMILES: O=C(C(C(C)CC)NC(C(CCCCN1)NC(NC(C(O)=O)C(CC)C)=O)=O)NC(C1=O)CCC2=CC=CC=C2
+CH$IUPAC: InChI=1S/C29H45N5O6/c1-5-18(3)23-27(37)31-22(16-15-20-12-8-7-9-13-20)25(35)30-17-11-10-14-21(26(36)33-23)32-29(40)34-24(28(38)39)19(4)6-2/h7-9,12-13,18-19,21-24H,5-6,10-11,14-17H2,1-4H3,(H,30,35)(H,31,37)(H,33,36)(H,38,39)(H2,32,34,40)
+CH$LINK: PUBCHEM CID:146683660
+CH$LINK: INCHIKEY YLSOIPHOXMRWGW-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-593
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.723 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 560.3443
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-001i-9300000000-ba84fde66f50db12e9cd
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  56.0495 C3H6N+ 1 56.0495 1.02
+  69.0699 C5H9+ 1 69.0699 -0.31
+  84.0808 C5H10N+ 1 84.0808 0.05
+  86.0964 C5H12N+ 1 86.0964 0.21
+  91.0543 C7H7+ 1 91.0542 0.36
+  111.0917 C6H11N2+ 1 111.0917 0.39
+  117.0698 C9H9+ 1 117.0699 -0.38
+  129.1023 C6H13N2O+ 1 129.1022 0.32
+  134.0964 C9H12N+ 1 134.0964 -0.15
+  155.0814 C7H11N2O2+ 1 155.0815 -0.81
+PK$NUM_PEAK: 10
+PK$PEAK: m/z int. rel.int.
+  56.0495 31228.8 25
+  69.0699 63020.5 51
+  84.0808 1233120.4 999
+  86.0964 308826.6 250
+  91.0543 456047.8 369
+  111.0917 19706.7 15
+  117.0698 261130.1 211
+  129.1023 121337.3 98
+  134.0964 277425.3 224
+  155.0814 40896.7 33
+//
diff --git a/Eawag/MSBNK-EAWAG-EC013709.txt b/Eawag/MSBNK-EAWAG-EC013709.txt
new file mode 100644
index 0000000000..78584705db
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC013709.txt
@@ -0,0 +1,60 @@
+ACCESSION: MSBNK-EAWAG-EC013709
+RECORD_TITLE: Namalide D; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], D. Fewer [dtc], J. Jokela [dtc], M. Wahlsten [dtc], T. Shishido [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://pubs.acs.org/doi/10.1021/acschembio.7b00570
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 137
+CH$NAME: Namalide D
+CH$NAME: 2?({[6?(butan?2?yl)?2,5,8?trioxo?3?(2?phenylethyl)?1,4,7?triazacyclotridecan?9?yl]carbamoyl}amino)?3?methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C29H45N5O6
+CH$EXACT_MASS: 559.3369842
+CH$SMILES: O=C(C(C(C)CC)NC(C(CCCCN1)NC(NC(C(O)=O)C(CC)C)=O)=O)NC(C1=O)CCC2=CC=CC=C2
+CH$IUPAC: InChI=1S/C29H45N5O6/c1-5-18(3)23-27(37)31-22(16-15-20-12-8-7-9-13-20)25(35)30-17-11-10-14-21(26(36)33-23)32-29(40)34-24(28(38)39)19(4)6-2/h7-9,12-13,18-19,21-24H,5-6,10-11,14-17H2,1-4H3,(H,30,35)(H,31,37)(H,33,36)(H,38,39)(H2,32,34,40)
+CH$LINK: PUBCHEM CID:146683660
+CH$LINK: INCHIKEY YLSOIPHOXMRWGW-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-593
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.723 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 560.3443
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-001l-9100000000-b77934199b2b1c1cd03f
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  56.0495 C3H6N+ 1 56.0495 0.41
+  69.0699 C5H9+ 1 69.0699 -0.2
+  84.0808 C5H10N+ 1 84.0808 -0.04
+  86.0965 C5H12N+ 1 86.0964 0.29
+  91.0542 C7H7+ 1 91.0542 0.19
+  111.092 C6H11N2+ 1 111.0917 2.52
+  117.0699 C9H9+ 1 117.0699 0.34
+  129.1021 C6H13N2O+ 1 129.1022 -1.1
+  134.0965 C9H12N+ 1 134.0964 0.2
+PK$NUM_PEAK: 9
+PK$PEAK: m/z int. rel.int.
+  56.0495 63308.4 51
+  69.0699 80927.2 65
+  84.0808 1232449.8 999
+  86.0965 232840.6 188
+  91.0542 657346.9 532
+  111.092 20118.2 16
+  117.0699 206056.7 167
+  129.1021 57096.4 46
+  134.0965 102398.9 83
+//
diff --git a/Eawag/MSBNK-EAWAG-EC013751.txt b/Eawag/MSBNK-EAWAG-EC013751.txt
new file mode 100644
index 0000000000..a2c8fc33a7
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC013751.txt
@@ -0,0 +1,46 @@
+ACCESSION: MSBNK-EAWAG-EC013751
+RECORD_TITLE: Namalide D; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M-H]-; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], D. Fewer [dtc], J. Jokela [dtc], M. Wahlsten [dtc], T. Shishido [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://pubs.acs.org/doi/10.1021/acschembio.7b00570
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 137
+CH$NAME: Namalide D
+CH$NAME: 2?({[6?(butan?2?yl)?2,5,8?trioxo?3?(2?phenylethyl)?1,4,7?triazacyclotridecan?9?yl]carbamoyl}amino)?3?methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C29H45N5O6
+CH$EXACT_MASS: 559.3369842
+CH$SMILES: O=C(C(C(C)CC)NC(C(CCCCN1)NC(NC(C(O)=O)C(CC)C)=O)=O)NC(C1=O)CCC2=CC=CC=C2
+CH$IUPAC: InChI=1S/C29H45N5O6/c1-5-18(3)23-27(37)31-22(16-15-20-12-8-7-9-13-20)25(35)30-17-11-10-14-21(26(36)33-23)32-29(40)34-24(28(38)39)19(4)6-2/h7-9,12-13,18-19,21-24H,5-6,10-11,14-17H2,1-4H3,(H,30,35)(H,31,37)(H,33,36)(H,38,39)(H2,32,34,40)
+CH$LINK: PUBCHEM CID:146683660
+CH$LINK: INCHIKEY YLSOIPHOXMRWGW-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-591
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.737 min
+MS$FOCUSED_ION: BASE_PEAK 558.3299
+MS$FOCUSED_ION: PRECURSOR_M/Z 558.3297
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-004i-0000900000-18c4921cbd5a7aa4e7b4
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  427.2348 C23H31N4O4- 2 427.2351 -0.63
+  540.3194 C29H42N5O5- 1 540.3191 0.46
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  427.2348 2353915.2 999
+  540.3194 113696.2 48
+//
diff --git a/Eawag/MSBNK-EAWAG-EC013752.txt b/Eawag/MSBNK-EAWAG-EC013752.txt
new file mode 100644
index 0000000000..91fcf6105b
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC013752.txt
@@ -0,0 +1,46 @@
+ACCESSION: MSBNK-EAWAG-EC013752
+RECORD_TITLE: Namalide D; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M-H]-; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], D. Fewer [dtc], J. Jokela [dtc], M. Wahlsten [dtc], T. Shishido [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://pubs.acs.org/doi/10.1021/acschembio.7b00570
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 137
+CH$NAME: Namalide D
+CH$NAME: 2?({[6?(butan?2?yl)?2,5,8?trioxo?3?(2?phenylethyl)?1,4,7?triazacyclotridecan?9?yl]carbamoyl}amino)?3?methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C29H45N5O6
+CH$EXACT_MASS: 559.3369842
+CH$SMILES: O=C(C(C(C)CC)NC(C(CCCCN1)NC(NC(C(O)=O)C(CC)C)=O)=O)NC(C1=O)CCC2=CC=CC=C2
+CH$IUPAC: InChI=1S/C29H45N5O6/c1-5-18(3)23-27(37)31-22(16-15-20-12-8-7-9-13-20)25(35)30-17-11-10-14-21(26(36)33-23)32-29(40)34-24(28(38)39)19(4)6-2/h7-9,12-13,18-19,21-24H,5-6,10-11,14-17H2,1-4H3,(H,30,35)(H,31,37)(H,33,36)(H,38,39)(H2,32,34,40)
+CH$LINK: PUBCHEM CID:146683660
+CH$LINK: INCHIKEY YLSOIPHOXMRWGW-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-591
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.737 min
+MS$FOCUSED_ION: BASE_PEAK 558.3299
+MS$FOCUSED_ION: PRECURSOR_M/Z 558.3297
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-004i-0000900000-0e7ccee41606d7e61b8a
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  427.2347 C23H31N4O4- 2 427.2351 -0.92
+  540.3191 C29H42N5O5- 1 540.3191 0.01
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  427.2347 2272207.2 999
+  540.3191 111310 48
+//
diff --git a/Eawag/MSBNK-EAWAG-EC013753.txt b/Eawag/MSBNK-EAWAG-EC013753.txt
new file mode 100644
index 0000000000..41e351a354
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC013753.txt
@@ -0,0 +1,48 @@
+ACCESSION: MSBNK-EAWAG-EC013753
+RECORD_TITLE: Namalide D; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M-H]-; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], D. Fewer [dtc], J. Jokela [dtc], M. Wahlsten [dtc], T. Shishido [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://pubs.acs.org/doi/10.1021/acschembio.7b00570
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 137
+CH$NAME: Namalide D
+CH$NAME: 2?({[6?(butan?2?yl)?2,5,8?trioxo?3?(2?phenylethyl)?1,4,7?triazacyclotridecan?9?yl]carbamoyl}amino)?3?methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C29H45N5O6
+CH$EXACT_MASS: 559.3369842
+CH$SMILES: O=C(C(C(C)CC)NC(C(CCCCN1)NC(NC(C(O)=O)C(CC)C)=O)=O)NC(C1=O)CCC2=CC=CC=C2
+CH$IUPAC: InChI=1S/C29H45N5O6/c1-5-18(3)23-27(37)31-22(16-15-20-12-8-7-9-13-20)25(35)30-17-11-10-14-21(26(36)33-23)32-29(40)34-24(28(38)39)19(4)6-2/h7-9,12-13,18-19,21-24H,5-6,10-11,14-17H2,1-4H3,(H,30,35)(H,31,37)(H,33,36)(H,38,39)(H2,32,34,40)
+CH$LINK: PUBCHEM CID:146683660
+CH$LINK: INCHIKEY YLSOIPHOXMRWGW-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-591
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.737 min
+MS$FOCUSED_ION: BASE_PEAK 558.3299
+MS$FOCUSED_ION: PRECURSOR_M/Z 558.3297
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-004i-0000900000-53d145959697af7911cd
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  130.0874 C6H12NO2- 1 130.0874 0.07
+  427.2348 C23H31N4O4- 2 427.2351 -0.56
+  540.3181 C29H42N5O5- 1 540.3191 -1.91
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  130.0874 66025.3 27
+  427.2348 2366324.8 999
+  540.3181 115062.2 48
+//
diff --git a/Eawag/MSBNK-EAWAG-EC013754.txt b/Eawag/MSBNK-EAWAG-EC013754.txt
new file mode 100644
index 0000000000..869abea4bc
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC013754.txt
@@ -0,0 +1,50 @@
+ACCESSION: MSBNK-EAWAG-EC013754
+RECORD_TITLE: Namalide D; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M-H]-; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], D. Fewer [dtc], J. Jokela [dtc], M. Wahlsten [dtc], T. Shishido [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://pubs.acs.org/doi/10.1021/acschembio.7b00570
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 137
+CH$NAME: Namalide D
+CH$NAME: 2?({[6?(butan?2?yl)?2,5,8?trioxo?3?(2?phenylethyl)?1,4,7?triazacyclotridecan?9?yl]carbamoyl}amino)?3?methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C29H45N5O6
+CH$EXACT_MASS: 559.3369842
+CH$SMILES: O=C(C(C(C)CC)NC(C(CCCCN1)NC(NC(C(O)=O)C(CC)C)=O)=O)NC(C1=O)CCC2=CC=CC=C2
+CH$IUPAC: InChI=1S/C29H45N5O6/c1-5-18(3)23-27(37)31-22(16-15-20-12-8-7-9-13-20)25(35)30-17-11-10-14-21(26(36)33-23)32-29(40)34-24(28(38)39)19(4)6-2/h7-9,12-13,18-19,21-24H,5-6,10-11,14-17H2,1-4H3,(H,30,35)(H,31,37)(H,33,36)(H,38,39)(H2,32,34,40)
+CH$LINK: PUBCHEM CID:146683660
+CH$LINK: INCHIKEY YLSOIPHOXMRWGW-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-591
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.737 min
+MS$FOCUSED_ION: BASE_PEAK 558.3299
+MS$FOCUSED_ION: PRECURSOR_M/Z 558.3297
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-004i-0000900000-36ae292423e164324095
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  130.0872 C6H12NO2- 1 130.0874 -0.98
+  279.1814 C13H27O6- 3 279.1813 0.15
+  427.2348 C23H31N4O4- 2 427.2351 -0.7
+  540.318 C29H42N5O5- 1 540.3191 -2.14
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  130.0872 105687.7 54
+  279.1814 26764.9 13
+  427.2348 1932351.8 999
+  540.318 71840.5 37
+//
diff --git a/Eawag/MSBNK-EAWAG-EC013755.txt b/Eawag/MSBNK-EAWAG-EC013755.txt
new file mode 100644
index 0000000000..64fa6a5b73
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC013755.txt
@@ -0,0 +1,56 @@
+ACCESSION: MSBNK-EAWAG-EC013755
+RECORD_TITLE: Namalide D; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M-H]-; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], D. Fewer [dtc], J. Jokela [dtc], M. Wahlsten [dtc], T. Shishido [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://pubs.acs.org/doi/10.1021/acschembio.7b00570
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 137
+CH$NAME: Namalide D
+CH$NAME: 2?({[6?(butan?2?yl)?2,5,8?trioxo?3?(2?phenylethyl)?1,4,7?triazacyclotridecan?9?yl]carbamoyl}amino)?3?methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C29H45N5O6
+CH$EXACT_MASS: 559.3369842
+CH$SMILES: O=C(C(C(C)CC)NC(C(CCCCN1)NC(NC(C(O)=O)C(CC)C)=O)=O)NC(C1=O)CCC2=CC=CC=C2
+CH$IUPAC: InChI=1S/C29H45N5O6/c1-5-18(3)23-27(37)31-22(16-15-20-12-8-7-9-13-20)25(35)30-17-11-10-14-21(26(36)33-23)32-29(40)34-24(28(38)39)19(4)6-2/h7-9,12-13,18-19,21-24H,5-6,10-11,14-17H2,1-4H3,(H,30,35)(H,31,37)(H,33,36)(H,38,39)(H2,32,34,40)
+CH$LINK: PUBCHEM CID:146683660
+CH$LINK: INCHIKEY YLSOIPHOXMRWGW-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-591
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.737 min
+MS$FOCUSED_ION: BASE_PEAK 558.3299
+MS$FOCUSED_ION: PRECURSOR_M/Z 558.3297
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-004i-0231900000-076a135428e1f1c6fb6d
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  130.0871 C6H12NO2- 1 130.0874 -1.69
+  273.1593 C14H19N5O- 2 273.1595 -0.91
+  279.1816 C13H27O6- 2 279.1813 1.03
+  290.1861 C16H24N3O2- 2 290.1874 -4.56
+  291.1818 C14H27O6- 2 291.1813 1.51
+  383.2445 C21H35O6- 2 383.2439 1.51
+  427.2347 C23H31N4O4- 2 427.2351 -0.85
+PK$NUM_PEAK: 7
+PK$PEAK: m/z int. rel.int.
+  130.0871 160281.6 250
+  273.1593 38220.2 59
+  279.1816 146240.5 228
+  290.1861 35167.9 55
+  291.1818 29322.6 45
+  383.2445 129413.4 202
+  427.2347 638369.4 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC013756.txt b/Eawag/MSBNK-EAWAG-EC013756.txt
new file mode 100644
index 0000000000..38159a7d80
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC013756.txt
@@ -0,0 +1,60 @@
+ACCESSION: MSBNK-EAWAG-EC013756
+RECORD_TITLE: Namalide D; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M-H]-; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], D. Fewer [dtc], J. Jokela [dtc], M. Wahlsten [dtc], T. Shishido [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://pubs.acs.org/doi/10.1021/acschembio.7b00570
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 137
+CH$NAME: Namalide D
+CH$NAME: 2?({[6?(butan?2?yl)?2,5,8?trioxo?3?(2?phenylethyl)?1,4,7?triazacyclotridecan?9?yl]carbamoyl}amino)?3?methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C29H45N5O6
+CH$EXACT_MASS: 559.3369842
+CH$SMILES: O=C(C(C(C)CC)NC(C(CCCCN1)NC(NC(C(O)=O)C(CC)C)=O)=O)NC(C1=O)CCC2=CC=CC=C2
+CH$IUPAC: InChI=1S/C29H45N5O6/c1-5-18(3)23-27(37)31-22(16-15-20-12-8-7-9-13-20)25(35)30-17-11-10-14-21(26(36)33-23)32-29(40)34-24(28(38)39)19(4)6-2/h7-9,12-13,18-19,21-24H,5-6,10-11,14-17H2,1-4H3,(H,30,35)(H,31,37)(H,33,36)(H,38,39)(H2,32,34,40)
+CH$LINK: PUBCHEM CID:146683660
+CH$LINK: INCHIKEY YLSOIPHOXMRWGW-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-591
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.737 min
+MS$FOCUSED_ION: BASE_PEAK 558.3299
+MS$FOCUSED_ION: PRECURSOR_M/Z 558.3297
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-001i-2920200000-33b47ea6cea15123abc1
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  41.9985 CNO- 1 41.9985 -0.38
+  99.0198 C3H3N2O2- 1 99.02 -2.18
+  130.0872 C6H12NO2- 1 130.0874 -1.45
+  153.0668 C7H9N2O2- 1 153.067 -1.29
+  155.0819 C7H11N2O2- 2 155.0826 -4.42
+  203.0821 C11H11N2O2- 2 203.0826 -2.43
+  258.1604 C15H20N3O- 1 258.1612 -2.92
+  290.1866 C16H24N3O2- 1 290.1874 -2.77
+  427.2352 C23H31N4O4- 2 427.2351 0.3
+PK$NUM_PEAK: 9
+PK$PEAK: m/z int. rel.int.
+  41.9985 26099.4 136
+  99.0198 56208.1 294
+  130.0872 190451 999
+  153.0668 9927.7 52
+  155.0819 49371 258
+  203.0821 18577 97
+  258.1604 21617.9 113
+  290.1866 35925.4 188
+  427.2352 66299.7 347
+//
diff --git a/Eawag/MSBNK-EAWAG-EC013757.txt b/Eawag/MSBNK-EAWAG-EC013757.txt
new file mode 100644
index 0000000000..b83cc748a2
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC013757.txt
@@ -0,0 +1,62 @@
+ACCESSION: MSBNK-EAWAG-EC013757
+RECORD_TITLE: Namalide D; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M-H]-; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], D. Fewer [dtc], J. Jokela [dtc], M. Wahlsten [dtc], T. Shishido [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://pubs.acs.org/doi/10.1021/acschembio.7b00570
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 137
+CH$NAME: Namalide D
+CH$NAME: 2?({[6?(butan?2?yl)?2,5,8?trioxo?3?(2?phenylethyl)?1,4,7?triazacyclotridecan?9?yl]carbamoyl}amino)?3?methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C29H45N5O6
+CH$EXACT_MASS: 559.3369842
+CH$SMILES: O=C(C(C(C)CC)NC(C(CCCCN1)NC(NC(C(O)=O)C(CC)C)=O)=O)NC(C1=O)CCC2=CC=CC=C2
+CH$IUPAC: InChI=1S/C29H45N5O6/c1-5-18(3)23-27(37)31-22(16-15-20-12-8-7-9-13-20)25(35)30-17-11-10-14-21(26(36)33-23)32-29(40)34-24(28(38)39)19(4)6-2/h7-9,12-13,18-19,21-24H,5-6,10-11,14-17H2,1-4H3,(H,30,35)(H,31,37)(H,33,36)(H,38,39)(H2,32,34,40)
+CH$LINK: PUBCHEM CID:146683660
+CH$LINK: INCHIKEY YLSOIPHOXMRWGW-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-591
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.737 min
+MS$FOCUSED_ION: BASE_PEAK 558.3299
+MS$FOCUSED_ION: PRECURSOR_M/Z 558.3297
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-001i-4920000000-01ba24c5237e1c28bfa3
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  41.9985 CNO- 1 41.9985 -2.01
+  91.0554 C7H7- 1 91.0553 0.29
+  99.02 C3H3N2O2- 1 99.02 -0.1
+  130.0872 C6H12NO2- 1 130.0874 -1.33
+  154.0983 C7H12N3O- 1 154.0986 -1.86
+  155.0824 C7H11N2O2- 1 155.0826 -1.47
+  180.0774 C8H10N3O2- 1 180.0779 -2.48
+  203.0825 C11H11N2O2- 1 203.0826 -0.55
+  279.1818 C13H27O6- 2 279.1813 1.79
+  291.1825 C14H27O6- 2 291.1813 4.03
+PK$NUM_PEAK: 10
+PK$PEAK: m/z int. rel.int.
+  41.9985 39612.3 206
+  91.0554 18259.8 94
+  99.02 69320 360
+  130.0872 192023.4 999
+  154.0983 25986.4 135
+  155.0824 35439.8 184
+  180.0774 19477.2 101
+  203.0825 14009.4 72
+  279.1818 32197.9 167
+  291.1825 15687.8 81
+//
diff --git a/Eawag/MSBNK-EAWAG-EC013758.txt b/Eawag/MSBNK-EAWAG-EC013758.txt
new file mode 100644
index 0000000000..64ce3c84e5
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC013758.txt
@@ -0,0 +1,56 @@
+ACCESSION: MSBNK-EAWAG-EC013758
+RECORD_TITLE: Namalide D; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M-H]-; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], D. Fewer [dtc], J. Jokela [dtc], M. Wahlsten [dtc], T. Shishido [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://pubs.acs.org/doi/10.1021/acschembio.7b00570
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 137
+CH$NAME: Namalide D
+CH$NAME: 2?({[6?(butan?2?yl)?2,5,8?trioxo?3?(2?phenylethyl)?1,4,7?triazacyclotridecan?9?yl]carbamoyl}amino)?3?methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C29H45N5O6
+CH$EXACT_MASS: 559.3369842
+CH$SMILES: O=C(C(C(C)CC)NC(C(CCCCN1)NC(NC(C(O)=O)C(CC)C)=O)=O)NC(C1=O)CCC2=CC=CC=C2
+CH$IUPAC: InChI=1S/C29H45N5O6/c1-5-18(3)23-27(37)31-22(16-15-20-12-8-7-9-13-20)25(35)30-17-11-10-14-21(26(36)33-23)32-29(40)34-24(28(38)39)19(4)6-2/h7-9,12-13,18-19,21-24H,5-6,10-11,14-17H2,1-4H3,(H,30,35)(H,31,37)(H,33,36)(H,38,39)(H2,32,34,40)
+CH$LINK: PUBCHEM CID:146683660
+CH$LINK: INCHIKEY YLSOIPHOXMRWGW-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-591
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.737 min
+MS$FOCUSED_ION: BASE_PEAK 558.3299
+MS$FOCUSED_ION: PRECURSOR_M/Z 558.3297
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-001i-4900000000-7be9d3fd0e21eb4b644b
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  41.9985 CNO- 1 41.9985 -0.83
+  91.0555 C7H7- 1 91.0553 2.14
+  99.02 C3H3N2O2- 1 99.02 -0.03
+  111.0201 C4H3N2O2- 1 111.02 0.69
+  130.0871 C6H12NO2- 1 130.0874 -1.8
+  154.0984 C7H12N3O- 1 154.0986 -1.17
+  155.0827 C7H11N2O2- 1 155.0826 0.7
+PK$NUM_PEAK: 7
+PK$PEAK: m/z int. rel.int.
+  41.9985 51559.7 314
+  91.0555 19053.9 116
+  99.02 45715 278
+  111.0201 15264.8 93
+  130.0871 163953.6 999
+  154.0984 20419.5 124
+  155.0827 26651.7 162
+//
diff --git a/Eawag/MSBNK-EAWAG-EC014001.txt b/Eawag/MSBNK-EAWAG-EC014001.txt
new file mode 100644
index 0000000000..539eb1eab5
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC014001.txt
@@ -0,0 +1,48 @@
+ACCESSION: MSBNK-EAWAG-EC014001
+RECORD_TITLE: Pseudospumigin A; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1093/femsec/fiaa243
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 140
+CH$NAME: Pseudospumigin A
+CH$NAME: (2S,3S)-N-(5-guanidino-1-oxopentan-2-yl)-2-((2R)-2-(2-hydroxy-3-(4-hydroxyphenyl)propanamido)-4-(4-hydroxyphenyl)butanamido)-3-methylpentanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H44N6O7
+CH$EXACT_MASS: 612.3271477
+CH$SMILES: O=C(N[C@@H](C(N[C@H](C(NC(CCCNC(N)=N)C=O)=O)[C@@H](C)CC)=O)CCC1=CC=C(C=C1)O)C(CC2=CC=C(C=C2)O)O
+CH$IUPAC: InChI=1S/C31H44N6O7/c1-3-19(2)27(30(44)35-22(18-38)5-4-16-34-31(32)33)37-28(42)25(15-10-20-6-11-23(39)12-7-20)36-29(43)26(41)17-21-8-13-24(40)14-9-21/h6-9,11-14,18-19,22,25-27,39-41H,3-5,10,15-17H2,1-2H3,(H,35,44)(H,36,43)(H,37,42)(H4,32,33,34)/t19-,22?,25+,26?,27-/m0/s1
+CH$LINK: PUBCHEM CID:155802276
+CH$LINK: INCHIKEY QACTZPSCGSGUNG-GYWLOTNVSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-647
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.057 min
+MS$FOCUSED_ION: BASE_PEAK 132.958
+MS$FOCUSED_ION: PRECURSOR_M/Z 613.3344
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03dj-0000059000-23e763491d5dc8f252a9
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  553.3021 C30H41N4O6+ 1 553.3021 -0.01
+  595.3238 C31H43N6O6+ 1 595.3239 -0.02
+  613.3348 C31H45N6O7+ 1 613.3344 0.62
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  553.3021 44584.4 61
+  595.3238 421645.1 584
+  613.3348 720305.8 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC014002.txt b/Eawag/MSBNK-EAWAG-EC014002.txt
new file mode 100644
index 0000000000..85f3abc241
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC014002.txt
@@ -0,0 +1,44 @@
+ACCESSION: MSBNK-EAWAG-EC014002
+RECORD_TITLE: Pseudospumigin A; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1093/femsec/fiaa243
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 140
+CH$NAME: Pseudospumigin A
+CH$NAME: (2S,3S)-N-(5-guanidino-1-oxopentan-2-yl)-2-((2R)-2-(2-hydroxy-3-(4-hydroxyphenyl)propanamido)-4-(4-hydroxyphenyl)butanamido)-3-methylpentanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H44N6O7
+CH$EXACT_MASS: 612.3271477
+CH$SMILES: O=C(N[C@@H](C(N[C@H](C(NC(CCCNC(N)=N)C=O)=O)[C@@H](C)CC)=O)CCC1=CC=C(C=C1)O)C(CC2=CC=C(C=C2)O)O
+CH$IUPAC: InChI=1S/C31H44N6O7/c1-3-19(2)27(30(44)35-22(18-38)5-4-16-34-31(32)33)37-28(42)25(15-10-20-6-11-23(39)12-7-20)36-29(43)26(41)17-21-8-13-24(40)14-9-21/h6-9,11-14,18-19,22,25-27,39-41H,3-5,10,15-17H2,1-2H3,(H,35,44)(H,36,43)(H,37,42)(H4,32,33,34)/t19-,22?,25+,26?,27-/m0/s1
+CH$LINK: PUBCHEM CID:155802276
+CH$LINK: INCHIKEY QACTZPSCGSGUNG-GYWLOTNVSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-647
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.057 min
+MS$FOCUSED_ION: BASE_PEAK 132.958
+MS$FOCUSED_ION: PRECURSOR_M/Z 613.3344
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0002-0000090000-68b5de4c513f4b6e5afb
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  595.3239 C31H43N6O6+ 1 595.3239 0.08
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  595.3239 546774.6 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC014003.txt b/Eawag/MSBNK-EAWAG-EC014003.txt
new file mode 100644
index 0000000000..6c2425f191
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC014003.txt
@@ -0,0 +1,48 @@
+ACCESSION: MSBNK-EAWAG-EC014003
+RECORD_TITLE: Pseudospumigin A; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1093/femsec/fiaa243
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 140
+CH$NAME: Pseudospumigin A
+CH$NAME: (2S,3S)-N-(5-guanidino-1-oxopentan-2-yl)-2-((2R)-2-(2-hydroxy-3-(4-hydroxyphenyl)propanamido)-4-(4-hydroxyphenyl)butanamido)-3-methylpentanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H44N6O7
+CH$EXACT_MASS: 612.3271477
+CH$SMILES: O=C(N[C@@H](C(N[C@H](C(NC(CCCNC(N)=N)C=O)=O)[C@@H](C)CC)=O)CCC1=CC=C(C=C1)O)C(CC2=CC=C(C=C2)O)O
+CH$IUPAC: InChI=1S/C31H44N6O7/c1-3-19(2)27(30(44)35-22(18-38)5-4-16-34-31(32)33)37-28(42)25(15-10-20-6-11-23(39)12-7-20)36-29(43)26(41)17-21-8-13-24(40)14-9-21/h6-9,11-14,18-19,22,25-27,39-41H,3-5,10,15-17H2,1-2H3,(H,35,44)(H,36,43)(H,37,42)(H4,32,33,34)/t19-,22?,25+,26?,27-/m0/s1
+CH$LINK: PUBCHEM CID:155802276
+CH$LINK: INCHIKEY QACTZPSCGSGUNG-GYWLOTNVSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-647
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.057 min
+MS$FOCUSED_ION: BASE_PEAK 132.958
+MS$FOCUSED_ION: PRECURSOR_M/Z 613.3344
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0002-1000090000-e5e85a3e40fc8dc43069
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  99.0916 C5H11N2+ 1 99.0917 -0.41
+  553.3025 C30H41N4O6+ 1 553.3021 0.76
+  595.3235 C31H43N6O6+ 1 595.3239 -0.54
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  99.0916 68214.2 137
+  553.3025 98645.7 198
+  595.3235 496269.2 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC014004.txt b/Eawag/MSBNK-EAWAG-EC014004.txt
new file mode 100644
index 0000000000..3919528aa1
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC014004.txt
@@ -0,0 +1,48 @@
+ACCESSION: MSBNK-EAWAG-EC014004
+RECORD_TITLE: Pseudospumigin A; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1093/femsec/fiaa243
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 140
+CH$NAME: Pseudospumigin A
+CH$NAME: (2S,3S)-N-(5-guanidino-1-oxopentan-2-yl)-2-((2R)-2-(2-hydroxy-3-(4-hydroxyphenyl)propanamido)-4-(4-hydroxyphenyl)butanamido)-3-methylpentanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H44N6O7
+CH$EXACT_MASS: 612.3271477
+CH$SMILES: O=C(N[C@@H](C(N[C@H](C(NC(CCCNC(N)=N)C=O)=O)[C@@H](C)CC)=O)CCC1=CC=C(C=C1)O)C(CC2=CC=C(C=C2)O)O
+CH$IUPAC: InChI=1S/C31H44N6O7/c1-3-19(2)27(30(44)35-22(18-38)5-4-16-34-31(32)33)37-28(42)25(15-10-20-6-11-23(39)12-7-20)36-29(43)26(41)17-21-8-13-24(40)14-9-21/h6-9,11-14,18-19,22,25-27,39-41H,3-5,10,15-17H2,1-2H3,(H,35,44)(H,36,43)(H,37,42)(H4,32,33,34)/t19-,22?,25+,26?,27-/m0/s1
+CH$LINK: PUBCHEM CID:155802276
+CH$LINK: INCHIKEY QACTZPSCGSGUNG-GYWLOTNVSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-647
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.057 min
+MS$FOCUSED_ION: BASE_PEAK 132.958
+MS$FOCUSED_ION: PRECURSOR_M/Z 613.3344
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0002-5004090000-f3aa7b03d8bcd209d797
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  99.0915 C5H11N2+ 1 99.0917 -1.49
+  342.1331 C19H20NO5+ 2 342.1336 -1.34
+  595.324 C31H43N6O6+ 1 595.3239 0.18
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  99.0915 169041.1 589
+  342.1331 149987.7 522
+  595.324 286595.8 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC014005.txt b/Eawag/MSBNK-EAWAG-EC014005.txt
new file mode 100644
index 0000000000..d24ae4275a
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC014005.txt
@@ -0,0 +1,52 @@
+ACCESSION: MSBNK-EAWAG-EC014005
+RECORD_TITLE: Pseudospumigin A; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1093/femsec/fiaa243
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 140
+CH$NAME: Pseudospumigin A
+CH$NAME: (2S,3S)-N-(5-guanidino-1-oxopentan-2-yl)-2-((2R)-2-(2-hydroxy-3-(4-hydroxyphenyl)propanamido)-4-(4-hydroxyphenyl)butanamido)-3-methylpentanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H44N6O7
+CH$EXACT_MASS: 612.3271477
+CH$SMILES: O=C(N[C@@H](C(N[C@H](C(NC(CCCNC(N)=N)C=O)=O)[C@@H](C)CC)=O)CCC1=CC=C(C=C1)O)C(CC2=CC=C(C=C2)O)O
+CH$IUPAC: InChI=1S/C31H44N6O7/c1-3-19(2)27(30(44)35-22(18-38)5-4-16-34-31(32)33)37-28(42)25(15-10-20-6-11-23(39)12-7-20)36-29(43)26(41)17-21-8-13-24(40)14-9-21/h6-9,11-14,18-19,22,25-27,39-41H,3-5,10,15-17H2,1-2H3,(H,35,44)(H,36,43)(H,37,42)(H4,32,33,34)/t19-,22?,25+,26?,27-/m0/s1
+CH$LINK: PUBCHEM CID:155802276
+CH$LINK: INCHIKEY QACTZPSCGSGUNG-GYWLOTNVSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-647
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.057 min
+MS$FOCUSED_ION: BASE_PEAK 132.958
+MS$FOCUSED_ION: PRECURSOR_M/Z 613.3344
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-000j-9210000000-ee9e5e627a6062eb665d
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  86.0963 C5H12N+ 1 86.0964 -0.98
+  99.0916 C5H11N2+ 1 99.0917 -0.95
+  141.113 C6H13N4+ 1 141.1135 -3.23
+  182.0805 C9H12NO3+ 2 182.0812 -3.47
+  208.096 C9H12N4O2+ 2 208.0955 2.71
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  86.0963 326990.5 999
+  99.0916 259216.9 791
+  141.113 65479.3 200
+  182.0805 108762.3 332
+  208.096 102612.3 313
+//
diff --git a/Eawag/MSBNK-EAWAG-EC014006.txt b/Eawag/MSBNK-EAWAG-EC014006.txt
new file mode 100644
index 0000000000..77427300bf
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC014006.txt
@@ -0,0 +1,56 @@
+ACCESSION: MSBNK-EAWAG-EC014006
+RECORD_TITLE: Pseudospumigin A; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1093/femsec/fiaa243
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 140
+CH$NAME: Pseudospumigin A
+CH$NAME: (2S,3S)-N-(5-guanidino-1-oxopentan-2-yl)-2-((2R)-2-(2-hydroxy-3-(4-hydroxyphenyl)propanamido)-4-(4-hydroxyphenyl)butanamido)-3-methylpentanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H44N6O7
+CH$EXACT_MASS: 612.3271477
+CH$SMILES: O=C(N[C@@H](C(N[C@H](C(NC(CCCNC(N)=N)C=O)=O)[C@@H](C)CC)=O)CCC1=CC=C(C=C1)O)C(CC2=CC=C(C=C2)O)O
+CH$IUPAC: InChI=1S/C31H44N6O7/c1-3-19(2)27(30(44)35-22(18-38)5-4-16-34-31(32)33)37-28(42)25(15-10-20-6-11-23(39)12-7-20)36-29(43)26(41)17-21-8-13-24(40)14-9-21/h6-9,11-14,18-19,22,25-27,39-41H,3-5,10,15-17H2,1-2H3,(H,35,44)(H,36,43)(H,37,42)(H4,32,33,34)/t19-,22?,25+,26?,27-/m0/s1
+CH$LINK: PUBCHEM CID:155802276
+CH$LINK: INCHIKEY QACTZPSCGSGUNG-GYWLOTNVSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-647
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.057 min
+MS$FOCUSED_ION: BASE_PEAK 132.958
+MS$FOCUSED_ION: PRECURSOR_M/Z 613.3344
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-052r-9320000000-1c1b4b577db4ed2d18d1
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  82.0651 C5H8N+ 1 82.0651 -0.68
+  86.0964 C5H12N+ 1 86.0964 -0.63
+  99.0916 C5H11N2+ 1 99.0917 -1.26
+  107.0491 C7H7O+ 1 107.0491 -0.71
+  141.1133 C6H13N4+ 1 141.1135 -1.28
+  182.0804 C9H12NO3+ 2 182.0812 -4.39
+  208.0961 C9H12N4O2+ 2 208.0955 2.78
+PK$NUM_PEAK: 7
+PK$PEAK: m/z int. rel.int.
+  82.0651 48661.4 127
+  86.0964 380595 999
+  99.0916 182688 479
+  107.0491 151023 396
+  141.1133 42272.1 110
+  182.0804 67256.4 176
+  208.0961 138027.7 362
+//
diff --git a/Eawag/MSBNK-EAWAG-EC014007.txt b/Eawag/MSBNK-EAWAG-EC014007.txt
new file mode 100644
index 0000000000..4668049b57
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC014007.txt
@@ -0,0 +1,54 @@
+ACCESSION: MSBNK-EAWAG-EC014007
+RECORD_TITLE: Pseudospumigin A; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1093/femsec/fiaa243
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 140
+CH$NAME: Pseudospumigin A
+CH$NAME: (2S,3S)-N-(5-guanidino-1-oxopentan-2-yl)-2-((2R)-2-(2-hydroxy-3-(4-hydroxyphenyl)propanamido)-4-(4-hydroxyphenyl)butanamido)-3-methylpentanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H44N6O7
+CH$EXACT_MASS: 612.3271477
+CH$SMILES: O=C(N[C@@H](C(N[C@H](C(NC(CCCNC(N)=N)C=O)=O)[C@@H](C)CC)=O)CCC1=CC=C(C=C1)O)C(CC2=CC=C(C=C2)O)O
+CH$IUPAC: InChI=1S/C31H44N6O7/c1-3-19(2)27(30(44)35-22(18-38)5-4-16-34-31(32)33)37-28(42)25(15-10-20-6-11-23(39)12-7-20)36-29(43)26(41)17-21-8-13-24(40)14-9-21/h6-9,11-14,18-19,22,25-27,39-41H,3-5,10,15-17H2,1-2H3,(H,35,44)(H,36,43)(H,37,42)(H4,32,33,34)/t19-,22?,25+,26?,27-/m0/s1
+CH$LINK: PUBCHEM CID:155802276
+CH$LINK: INCHIKEY QACTZPSCGSGUNG-GYWLOTNVSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-647
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.057 min
+MS$FOCUSED_ION: BASE_PEAK 132.958
+MS$FOCUSED_ION: PRECURSOR_M/Z 613.3344
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-052r-9500000000-bc514b0cf6984b9e2e23
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  44.0494 C2H6N+ 1 44.0495 -1.58
+  82.065 C5H8N+ 1 82.0651 -1.23
+  86.0963 C5H12N+ 1 86.0964 -0.89
+  99.0915 C5H11N2+ 1 99.0917 -1.87
+  107.049 C7H7O+ 1 107.0491 -1.56
+  133.0644 C9H9O+ 1 133.0648 -2.97
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  44.0494 47508.3 147
+  82.065 72711.1 226
+  86.0963 320796.9 999
+  99.0915 128380.3 399
+  107.049 272135 847
+  133.0644 83655.9 260
+//
diff --git a/Eawag/MSBNK-EAWAG-EC014008.txt b/Eawag/MSBNK-EAWAG-EC014008.txt
new file mode 100644
index 0000000000..6a96b0efea
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC014008.txt
@@ -0,0 +1,52 @@
+ACCESSION: MSBNK-EAWAG-EC014008
+RECORD_TITLE: Pseudospumigin A; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1093/femsec/fiaa243
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 140
+CH$NAME: Pseudospumigin A
+CH$NAME: (2S,3S)-N-(5-guanidino-1-oxopentan-2-yl)-2-((2R)-2-(2-hydroxy-3-(4-hydroxyphenyl)propanamido)-4-(4-hydroxyphenyl)butanamido)-3-methylpentanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H44N6O7
+CH$EXACT_MASS: 612.3271477
+CH$SMILES: O=C(N[C@@H](C(N[C@H](C(NC(CCCNC(N)=N)C=O)=O)[C@@H](C)CC)=O)CCC1=CC=C(C=C1)O)C(CC2=CC=C(C=C2)O)O
+CH$IUPAC: InChI=1S/C31H44N6O7/c1-3-19(2)27(30(44)35-22(18-38)5-4-16-34-31(32)33)37-28(42)25(15-10-20-6-11-23(39)12-7-20)36-29(43)26(41)17-21-8-13-24(40)14-9-21/h6-9,11-14,18-19,22,25-27,39-41H,3-5,10,15-17H2,1-2H3,(H,35,44)(H,36,43)(H,37,42)(H4,32,33,34)/t19-,22?,25+,26?,27-/m0/s1
+CH$LINK: PUBCHEM CID:155802276
+CH$LINK: INCHIKEY QACTZPSCGSGUNG-GYWLOTNVSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-647
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.057 min
+MS$FOCUSED_ION: BASE_PEAK 132.958
+MS$FOCUSED_ION: PRECURSOR_M/Z 613.3344
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0a4r-9800000000-99373944ab1cab7aa9ea
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  82.065 C5H8N+ 1 82.0651 -1.05
+  86.0964 C5H12N+ 1 86.0964 -0.1
+  98.0837 C5H10N2+ 1 98.0838 -1.07
+  99.0916 C5H11N2+ 1 99.0917 -1.03
+  107.049 C7H7O+ 1 107.0491 -0.99
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  82.065 80439.2 219
+  86.0964 225557.4 616
+  98.0837 18248 49
+  99.0916 84054.3 229
+  107.049 365466.9 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC014009.txt b/Eawag/MSBNK-EAWAG-EC014009.txt
new file mode 100644
index 0000000000..eeab7507ae
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC014009.txt
@@ -0,0 +1,50 @@
+ACCESSION: MSBNK-EAWAG-EC014009
+RECORD_TITLE: Pseudospumigin A; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1093/femsec/fiaa243
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 140
+CH$NAME: Pseudospumigin A
+CH$NAME: (2S,3S)-N-(5-guanidino-1-oxopentan-2-yl)-2-((2R)-2-(2-hydroxy-3-(4-hydroxyphenyl)propanamido)-4-(4-hydroxyphenyl)butanamido)-3-methylpentanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H44N6O7
+CH$EXACT_MASS: 612.3271477
+CH$SMILES: O=C(N[C@@H](C(N[C@H](C(NC(CCCNC(N)=N)C=O)=O)[C@@H](C)CC)=O)CCC1=CC=C(C=C1)O)C(CC2=CC=C(C=C2)O)O
+CH$IUPAC: InChI=1S/C31H44N6O7/c1-3-19(2)27(30(44)35-22(18-38)5-4-16-34-31(32)33)37-28(42)25(15-10-20-6-11-23(39)12-7-20)36-29(43)26(41)17-21-8-13-24(40)14-9-21/h6-9,11-14,18-19,22,25-27,39-41H,3-5,10,15-17H2,1-2H3,(H,35,44)(H,36,43)(H,37,42)(H4,32,33,34)/t19-,22?,25+,26?,27-/m0/s1
+CH$LINK: PUBCHEM CID:155802276
+CH$LINK: INCHIKEY QACTZPSCGSGUNG-GYWLOTNVSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-647
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.057 min
+MS$FOCUSED_ION: BASE_PEAK 132.958
+MS$FOCUSED_ION: PRECURSOR_M/Z 613.3344
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0a4i-4900000000-9d5c909d4ec3eed267dd
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  82.065 C5H8N+ 1 82.0651 -1.05
+  86.0963 C5H12N+ 1 86.0964 -1.6
+  107.049 C7H7O+ 1 107.0491 -1.28
+  133.0644 C9H9O+ 1 133.0648 -2.86
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  82.065 85181.8 203
+  86.0963 158320.1 378
+  107.049 417877 999
+  133.0644 54599.5 130
+//
diff --git a/Eawag/MSBNK-EAWAG-EC014901.txt b/Eawag/MSBNK-EAWAG-EC014901.txt
new file mode 100644
index 0000000000..57082fa1e6
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC014901.txt
@@ -0,0 +1,54 @@
+ACCESSION: MSBNK-EAWAG-EC014901
+RECORD_TITLE: Sphaerocyclamide; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1038/s41598-018-32618-5
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 149
+CH$NAME: Sphaerocyclamide
+CH$NAME: 3-((3S,6S,12S,15S,18S,21S,26aS)-21-benzyl-15-(hydroxymethyl)-12-isopropyl-3-methyl-18-(4-((3-methylbut-2-en-1-yl)oxy)benzyl)-1,4,7,10,13,16,19,22-octaoxohexacosahydropyrrolo[1,2-a][1,4,7,10,13,16,19,22]octaazacyclotetracosin-6-yl)propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C46H63N9O11
+CH$EXACT_MASS: 917.4647038
+CH$SMILES: C[C@@H](C(N[C@@H](CCC(N)=O)C(NCC(N[C@@H](C(C)C)C(N[C@@H](CO)C(N[C@@H](CC(C=C1)=CC=C1OC/C=C(C)/C)C(N[C@H](C(N2CCC[C@H]2C3=O)=O)CC4=CC=CC=C4)=O)=O)=O)=O)=O)=O)N3[H]
+CH$IUPAC: InChI=1S/C46H63N9O11/c1-26(2)19-21-66-31-15-13-30(14-16-31)22-33-42(61)52-34(23-29-10-7-6-8-11-29)46(65)55-20-9-12-36(55)44(63)49-28(5)40(59)50-32(17-18-37(47)57)41(60)48-24-38(58)54-39(27(3)4)45(64)53-35(25-56)43(62)51-33/h6-8,10-11,13-16,19,27-28,32-36,39,56H,9,12,17-18,20-25H2,1-5H3,(H2,47,57)(H,48,60)(H,49,63)(H,50,59)(H,51,62)(H,52,61)(H,53,64)(H,54,58)/t28-,32-,33-,34-,35-,36-,39-/m0/s1
+CH$LINK: PUBCHEM CID:146683708
+CH$LINK: INCHIKEY JKBXTXMXBDJJQA-SJHSMXDOSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-958
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.279 min
+MS$FOCUSED_ION: BASE_PEAK 291.1942
+MS$FOCUSED_ION: PRECURSOR_M/Z 918.472
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-014i-0000000019-25ccb760f74f210d79a9
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  102.0535 C2H6N4O+ 1 102.0536 -1.52
+  453.2453 C34H31N+ 5 453.2451 0.33
+  850.4078 C41H56N9O11+ 1 850.4094 -1.82
+  890.4766 C45H64N9O10+ 1 890.4771 -0.55
+  900.4603 C46H62N9O10+ 1 900.4614 -1.24
+  918.471 C46H64N9O11+ 1 918.472 -1.12
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  102.0535 770689.6 47
+  453.2453 1103207.9 68
+  850.4078 2751796 171
+  890.4766 543747.4 33
+  900.4603 1551925.2 96
+  918.471 16041767 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC014902.txt b/Eawag/MSBNK-EAWAG-EC014902.txt
new file mode 100644
index 0000000000..5ce9394e37
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC014902.txt
@@ -0,0 +1,62 @@
+ACCESSION: MSBNK-EAWAG-EC014902
+RECORD_TITLE: Sphaerocyclamide; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1038/s41598-018-32618-5
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 149
+CH$NAME: Sphaerocyclamide
+CH$NAME: 3-((3S,6S,12S,15S,18S,21S,26aS)-21-benzyl-15-(hydroxymethyl)-12-isopropyl-3-methyl-18-(4-((3-methylbut-2-en-1-yl)oxy)benzyl)-1,4,7,10,13,16,19,22-octaoxohexacosahydropyrrolo[1,2-a][1,4,7,10,13,16,19,22]octaazacyclotetracosin-6-yl)propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C46H63N9O11
+CH$EXACT_MASS: 917.4647038
+CH$SMILES: C[C@@H](C(N[C@@H](CCC(N)=O)C(NCC(N[C@@H](C(C)C)C(N[C@@H](CO)C(N[C@@H](CC(C=C1)=CC=C1OC/C=C(C)/C)C(N[C@H](C(N2CCC[C@H]2C3=O)=O)CC4=CC=CC=C4)=O)=O)=O)=O)=O)=O)N3[H]
+CH$IUPAC: InChI=1S/C46H63N9O11/c1-26(2)19-21-66-31-15-13-30(14-16-31)22-33-42(61)52-34(23-29-10-7-6-8-11-29)46(65)55-20-9-12-36(55)44(63)49-28(5)40(59)50-32(17-18-37(47)57)41(60)48-24-38(58)54-39(27(3)4)45(64)53-35(25-56)43(62)51-33/h6-8,10-11,13-16,19,27-28,32-36,39,56H,9,12,17-18,20-25H2,1-5H3,(H2,47,57)(H,48,60)(H,49,63)(H,50,59)(H,51,62)(H,52,61)(H,53,64)(H,54,58)/t28-,32-,33-,34-,35-,36-,39-/m0/s1
+CH$LINK: PUBCHEM CID:146683708
+CH$LINK: INCHIKEY JKBXTXMXBDJJQA-SJHSMXDOSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-958
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.279 min
+MS$FOCUSED_ION: BASE_PEAK 291.1942
+MS$FOCUSED_ION: PRECURSOR_M/Z 918.472
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0udi-0042910048-97bbbc72cefb9cac1b89
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  102.0534 C2H6N4O+ 1 102.0536 -2.04
+  297.1546 C12H25O8+ 3 297.1544 0.7
+  354.1761 C15H24N5O5+ 4 354.1772 -3.03
+  371.2035 C15H27N6O5+ 4 371.2037 -0.79
+  444.2231 C21H34NO9+ 4 444.2228 0.65
+  453.2449 C34H31N+ 6 453.2451 -0.54
+  540.2778 C37H36N2O2+ 6 540.2771 1.24
+  850.4085 C41H56N9O11+ 1 850.4094 -1.03
+  900.4613 C46H62N9O10+ 1 900.4614 -0.16
+  918.4715 C46H64N9O11+ 1 918.472 -0.52
+PK$NUM_PEAK: 10
+PK$PEAK: m/z int. rel.int.
+  102.0534 177494.6 41
+  297.1546 2425961.5 566
+  354.1761 988555.6 230
+  371.2035 551282.3 128
+  444.2231 552598.2 129
+  453.2449 4276189 999
+  540.2778 1019071.1 238
+  850.4085 2388677 558
+  900.4613 1213774 283
+  918.4715 3499983.5 817
+//
diff --git a/Eawag/MSBNK-EAWAG-EC014903.txt b/Eawag/MSBNK-EAWAG-EC014903.txt
new file mode 100644
index 0000000000..fc0708f3cd
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC014903.txt
@@ -0,0 +1,72 @@
+ACCESSION: MSBNK-EAWAG-EC014903
+RECORD_TITLE: Sphaerocyclamide; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1038/s41598-018-32618-5
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 149
+CH$NAME: Sphaerocyclamide
+CH$NAME: 3-((3S,6S,12S,15S,18S,21S,26aS)-21-benzyl-15-(hydroxymethyl)-12-isopropyl-3-methyl-18-(4-((3-methylbut-2-en-1-yl)oxy)benzyl)-1,4,7,10,13,16,19,22-octaoxohexacosahydropyrrolo[1,2-a][1,4,7,10,13,16,19,22]octaazacyclotetracosin-6-yl)propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C46H63N9O11
+CH$EXACT_MASS: 917.4647038
+CH$SMILES: C[C@@H](C(N[C@@H](CCC(N)=O)C(NCC(N[C@@H](C(C)C)C(N[C@@H](CO)C(N[C@@H](CC(C=C1)=CC=C1OC/C=C(C)/C)C(N[C@H](C(N2CCC[C@H]2C3=O)=O)CC4=CC=CC=C4)=O)=O)=O)=O)=O)=O)N3[H]
+CH$IUPAC: InChI=1S/C46H63N9O11/c1-26(2)19-21-66-31-15-13-30(14-16-31)22-33-42(61)52-34(23-29-10-7-6-8-11-29)46(65)55-20-9-12-36(55)44(63)49-28(5)40(59)50-32(17-18-37(47)57)41(60)48-24-38(58)54-39(27(3)4)45(64)53-35(25-56)43(62)51-33/h6-8,10-11,13-16,19,27-28,32-36,39,56H,9,12,17-18,20-25H2,1-5H3,(H2,47,57)(H,48,60)(H,49,63)(H,50,59)(H,51,62)(H,52,61)(H,53,64)(H,54,58)/t28-,32-,33-,34-,35-,36-,39-/m0/s1
+CH$LINK: PUBCHEM CID:146683708
+CH$LINK: INCHIKEY JKBXTXMXBDJJQA-SJHSMXDOSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-958
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.279 min
+MS$FOCUSED_ION: BASE_PEAK 291.1942
+MS$FOCUSED_ION: PRECURSOR_M/Z 918.472
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0udj-0165930000-6ce4fb392afb030ef1e6
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  70.0651 C4H8N+ 1 70.0651 -0.41
+  169.097 C8H13N2O2+ 1 169.0972 -1.1
+  186.1231 C6H14N6O+ 2 186.1224 4.02
+  204.1375 C11H16N4+ 2 204.1369 2.67
+  297.1546 C12H25O8+ 3 297.1544 0.6
+  319.1639 C15H21N5O3+ 4 319.1639 -0.01
+  354.1763 C15H24N5O5+ 4 354.1772 -2.6
+  371.2025 C15H27N6O5+ 4 371.2037 -3.34
+  425.2503 C19H33N6O5+ 4 425.2507 -0.87
+  444.2237 C21H34NO9+ 5 444.2228 2.03
+  453.2451 C34H31N+ 6 453.2451 0.06
+  523.2519 C25H37N3O9+ 6 523.2524 -1.06
+  540.277 C37H36N2O2+ 7 540.2771 -0.23
+  586.2623 C27H36N7O8+ 6 586.262 0.58
+  600.314 C29H42N7O7+ 8 600.314 -0.08
+PK$NUM_PEAK: 15
+PK$PEAK: m/z int. rel.int.
+  70.0651 686028.3 139
+  169.097 397375.2 80
+  186.1231 731263.7 148
+  204.1375 382079.4 77
+  297.1546 4925475 999
+  319.1639 608432.1 123
+  354.1763 2905518.2 589
+  371.2025 652959.9 132
+  425.2503 2526487 512
+  444.2237 792990.8 160
+  453.2451 4153326.2 842
+  523.2519 617790.4 125
+  540.277 1451942.6 294
+  586.2623 603907.2 122
+  600.314 630682 127
+//
diff --git a/Eawag/MSBNK-EAWAG-EC014904.txt b/Eawag/MSBNK-EAWAG-EC014904.txt
new file mode 100644
index 0000000000..63524fdef7
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC014904.txt
@@ -0,0 +1,108 @@
+ACCESSION: MSBNK-EAWAG-EC014904
+RECORD_TITLE: Sphaerocyclamide; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1038/s41598-018-32618-5
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 149
+CH$NAME: Sphaerocyclamide
+CH$NAME: 3-((3S,6S,12S,15S,18S,21S,26aS)-21-benzyl-15-(hydroxymethyl)-12-isopropyl-3-methyl-18-(4-((3-methylbut-2-en-1-yl)oxy)benzyl)-1,4,7,10,13,16,19,22-octaoxohexacosahydropyrrolo[1,2-a][1,4,7,10,13,16,19,22]octaazacyclotetracosin-6-yl)propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C46H63N9O11
+CH$EXACT_MASS: 917.4647038
+CH$SMILES: C[C@@H](C(N[C@@H](CCC(N)=O)C(NCC(N[C@@H](C(C)C)C(N[C@@H](CO)C(N[C@@H](CC(C=C1)=CC=C1OC/C=C(C)/C)C(N[C@H](C(N2CCC[C@H]2C3=O)=O)CC4=CC=CC=C4)=O)=O)=O)=O)=O)=O)N3[H]
+CH$IUPAC: InChI=1S/C46H63N9O11/c1-26(2)19-21-66-31-15-13-30(14-16-31)22-33-42(61)52-34(23-29-10-7-6-8-11-29)46(65)55-20-9-12-36(55)44(63)49-28(5)40(59)50-32(17-18-37(47)57)41(60)48-24-38(58)54-39(27(3)4)45(64)53-35(25-56)43(62)51-33/h6-8,10-11,13-16,19,27-28,32-36,39,56H,9,12,17-18,20-25H2,1-5H3,(H2,47,57)(H,48,60)(H,49,63)(H,50,59)(H,51,62)(H,52,61)(H,53,64)(H,54,58)/t28-,32-,33-,34-,35-,36-,39-/m0/s1
+CH$LINK: PUBCHEM CID:146683708
+CH$LINK: INCHIKEY JKBXTXMXBDJJQA-SJHSMXDOSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-958
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.279 min
+MS$FOCUSED_ION: BASE_PEAK 291.1942
+MS$FOCUSED_ION: PRECURSOR_M/Z 918.472
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0udj-2595220000-12ca889d9e6649d22547
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  70.0651 C4H8N+ 1 70.0651 -0.84
+  72.0807 C4H10N+ 1 72.0808 -0.46
+  84.0444 C4H6NO+ 1 84.0444 0.15
+  101.0709 C4H9N2O+ 1 101.0709 -0.32
+  120.0806 C8H10N+ 1 120.0808 -1.84
+  129.102 C6H13N2O+ 1 129.1022 -1.87
+  136.0754 C8H10NO+ 1 136.0757 -2.12
+  141.1023 C7H13N2O+ 1 141.1022 0.45
+  157.097 C7H13N2O2+ 1 157.0972 -1.04
+  169.0969 C8H13N2O2+ 1 169.0972 -1.46
+  186.0881 C9H14O4+ 2 186.0887 -3.15
+  186.123 C6H14N6O+ 2 186.1224 3.53
+  204.1377 C11H16N4+ 2 204.1369 3.64
+  223.1074 C11H15N2O3+ 2 223.1077 -1.46
+  240.134 C11H18N3O3+ 2 240.1343 -0.97
+  251.1018 C10H13N5O3+ 2 251.1013 1.92
+  257.1608 C11H21N4O3+ 1 257.1608 0.02
+  269.1603 C12H21N4O3+ 3 269.1608 -2.1
+  285.1187 C10H21O9+ 3 285.118 2.32
+  285.1555 C12H21N4O4+ 3 285.1557 -0.68
+  291.1691 C14H21N5O2+ 2 291.169 0.45
+  297.1547 C12H25O8+ 3 297.1544 1.01
+  325.1871 C15H25N4O4+ 6 325.187 0.21
+  337.1497 C14H25O9+ 4 337.1493 1.15
+  354.1764 C15H24N5O5+ 3 354.1772 -2.25
+  355.1595 C13H21N7O5+ 4 355.1599 -0.96
+  371.2034 C15H27N6O5+ 4 371.2037 -0.87
+  406.1694 C15H26N4O9+ 5 406.1694 0.01
+  425.2505 C19H33N6O5+ 4 425.2507 -0.36
+  500.2121 C36H26N3+ 7 500.2121 0
+  540.2772 C37H36N2O2+ 5 540.2771 0.22
+  572.3197 C27H46N3O10+ 7 572.3178 3.36
+  586.2625 C27H36N7O8+ 6 586.262 0.89
+PK$NUM_PEAK: 33
+PK$PEAK: m/z int. rel.int.
+  70.0651 1819773.1 386
+  72.0807 327839.7 69
+  84.0444 198859.2 42
+  101.0709 931624.1 197
+  120.0806 616413.5 130
+  129.102 60492.7 12
+  136.0754 449662.8 95
+  141.1023 550929 117
+  157.097 247220.7 52
+  169.0969 1217035.8 258
+  186.0881 477683.1 101
+  186.123 1095887.9 232
+  204.1377 800280 170
+  223.1074 135120 28
+  240.134 209478.3 44
+  251.1018 237066 50
+  257.1608 341767.6 72
+  269.1603 350504.2 74
+  285.1187 261670.5 55
+  285.1555 852912.3 181
+  291.1691 999645.6 212
+  297.1547 4702232.5 999
+  325.1871 203520.7 43
+  337.1497 682552.1 145
+  354.1764 4271855.5 907
+  355.1595 383049.4 81
+  371.2034 360187.9 76
+  406.1694 399373 84
+  425.2505 2537985 539
+  500.2121 349453.2 74
+  540.2772 840045.2 178
+  572.3197 403572.6 85
+  586.2625 518186.2 110
+//
diff --git a/Eawag/MSBNK-EAWAG-EC014905.txt b/Eawag/MSBNK-EAWAG-EC014905.txt
new file mode 100644
index 0000000000..c96299e6ca
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC014905.txt
@@ -0,0 +1,134 @@
+ACCESSION: MSBNK-EAWAG-EC014905
+RECORD_TITLE: Sphaerocyclamide; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1038/s41598-018-32618-5
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 149
+CH$NAME: Sphaerocyclamide
+CH$NAME: 3-((3S,6S,12S,15S,18S,21S,26aS)-21-benzyl-15-(hydroxymethyl)-12-isopropyl-3-methyl-18-(4-((3-methylbut-2-en-1-yl)oxy)benzyl)-1,4,7,10,13,16,19,22-octaoxohexacosahydropyrrolo[1,2-a][1,4,7,10,13,16,19,22]octaazacyclotetracosin-6-yl)propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C46H63N9O11
+CH$EXACT_MASS: 917.4647038
+CH$SMILES: C[C@@H](C(N[C@@H](CCC(N)=O)C(NCC(N[C@@H](C(C)C)C(N[C@@H](CO)C(N[C@@H](CC(C=C1)=CC=C1OC/C=C(C)/C)C(N[C@H](C(N2CCC[C@H]2C3=O)=O)CC4=CC=CC=C4)=O)=O)=O)=O)=O)=O)N3[H]
+CH$IUPAC: InChI=1S/C46H63N9O11/c1-26(2)19-21-66-31-15-13-30(14-16-31)22-33-42(61)52-34(23-29-10-7-6-8-11-29)46(65)55-20-9-12-36(55)44(63)49-28(5)40(59)50-32(17-18-37(47)57)41(60)48-24-38(58)54-39(27(3)4)45(64)53-35(25-56)43(62)51-33/h6-8,10-11,13-16,19,27-28,32-36,39,56H,9,12,17-18,20-25H2,1-5H3,(H2,47,57)(H,48,60)(H,49,63)(H,50,59)(H,51,62)(H,52,61)(H,53,64)(H,54,58)/t28-,32-,33-,34-,35-,36-,39-/m0/s1
+CH$LINK: PUBCHEM CID:146683708
+CH$LINK: INCHIKEY JKBXTXMXBDJJQA-SJHSMXDOSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-958
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.279 min
+MS$FOCUSED_ION: BASE_PEAK 291.1942
+MS$FOCUSED_ION: PRECURSOR_M/Z 918.472
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0fk9-5972000000-ccbdaa4071df04a497f3
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  70.0651 C4H8N+ 1 70.0651 -0.84
+  72.0807 C4H10N+ 1 72.0808 -1.1
+  84.0443 C4H6NO+ 1 84.0444 -0.49
+  101.0708 C4H9N2O+ 1 101.0709 -1.45
+  115.0866 C5H11N2O+ 1 115.0866 -0.15
+  120.0806 C8H10N+ 1 120.0808 -1.21
+  124.1121 C8H14N+ 1 124.1121 0.46
+  127.0867 C6H11N2O+ 1 127.0866 0.75
+  129.1018 C6H13N2O+ 1 129.1022 -3.29
+  136.0755 C8H10NO+ 1 136.0757 -1.44
+  141.102 C7H13N2O+ 1 141.1022 -1.71
+  157.0968 C7H13N2O2+ 1 157.0972 -2.2
+  158.092 C6H12N3O2+ 1 158.0924 -2.36
+  168.0763 C7H10N3O2+ 1 168.0768 -2.81
+  169.0968 C8H13N2O2+ 1 169.0972 -2
+  172.1116 C12H14N+ 1 172.1121 -2.82
+  183.0761 C8H11N2O3+ 1 183.0764 -1.84
+  186.0873 C7H12N3O3+ 1 186.0873 -0.36
+  186.123 C6H14N6O+ 2 186.1224 3.28
+  187.1075 C8H15N2O3+ 1 187.1077 -1.29
+  200.1026 C8H14N3O3+ 2 200.103 -1.83
+  204.1377 C11H16N4+ 2 204.1369 3.79
+  205.0967 C11H13N2O2+ 2 205.0972 -2.44
+  217.133 C13H17N2O+ 2 217.1335 -2.51
+  221.0915 C11H13N2O3+ 2 221.0921 -2.61
+  223.1071 C11H15N2O3+ 2 223.1077 -2.63
+  226.1183 C10H16N3O3+ 2 226.1186 -1.22
+  240.0973 C10H14N3O4+ 2 240.0979 -2.58
+  244.1282 C8H16N6O3+ 2 244.1278 1.36
+  245.1276 C12H15N5O+ 2 245.1271 2
+  257.124 C10H17N4O4+ 3 257.1244 -1.61
+  257.1604 C11H21N4O3+ 3 257.1608 -1.64
+  266.1136 C12H16N3O4+ 3 266.1135 0.24
+  267.1446 C12H19N4O3+ 3 267.1452 -2.24
+  268.128 C12H18N3O4+ 2 268.1292 -4.53
+  285.1554 C12H21N4O4+ 3 285.1557 -1.22
+  291.1695 C14H21N5O2+ 3 291.169 1.92
+  297.1546 C12H25O8+ 3 297.1544 0.8
+  330.144 C15H18N6O3+ 3 330.1435 1.55
+  336.1651 C13H20N8O3+ 4 336.1653 -0.48
+  337.1493 C14H25O9+ 4 337.1493 0.07
+  351.2053 C20H25N5O+ 5 351.2054 -0.24
+  354.1764 C15H24N5O5+ 3 354.1772 -2.25
+  406.1696 C15H26N4O9+ 5 406.1694 0.46
+  425.2512 C19H33N6O5+ 4 425.2507 1.14
+  453.2451 C34H31N+ 6 453.2451 0.06
+PK$NUM_PEAK: 46
+PK$PEAK: m/z int. rel.int.
+  70.0651 8561269 999
+  72.0807 1837218.6 214
+  84.0443 1084149.1 126
+  101.0708 3579347.8 417
+  115.0866 325520.9 37
+  120.0806 1879387.8 219
+  124.1121 159400.9 18
+  127.0867 114456.8 13
+  129.1018 528191.7 61
+  136.0755 1996878.5 233
+  141.102 2823487.8 329
+  157.0968 495591.6 57
+  158.092 237242.1 27
+  168.0763 494421.2 57
+  169.0968 3261020.8 380
+  172.1116 453529.3 52
+  183.0761 235617.4 27
+  186.0873 1397025 163
+  186.123 1528424.2 178
+  187.1075 235879.4 27
+  200.1026 932856 108
+  204.1377 1674864.1 195
+  205.0967 397414.6 46
+  217.133 669725.3 78
+  221.0915 338270.7 39
+  223.1071 951517.8 111
+  226.1183 885130.7 103
+  240.0973 488813.8 57
+  244.1282 558385.8 65
+  245.1276 769838.2 89
+  257.124 908104.3 105
+  257.1604 322160.4 37
+  266.1136 377846.3 44
+  267.1446 233757.1 27
+  268.128 625000.6 72
+  285.1554 826117.2 96
+  291.1695 2501159.5 291
+  297.1546 3128241.8 365
+  330.144 128782.9 15
+  336.1651 715187.2 83
+  337.1493 1147171.9 133
+  351.2053 478475.7 55
+  354.1764 2671170.8 311
+  406.1696 379389.8 44
+  425.2512 749834.7 87
+  453.2451 163893 19
+//
diff --git a/Eawag/MSBNK-EAWAG-EC014906.txt b/Eawag/MSBNK-EAWAG-EC014906.txt
new file mode 100644
index 0000000000..8d2609198f
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC014906.txt
@@ -0,0 +1,132 @@
+ACCESSION: MSBNK-EAWAG-EC014906
+RECORD_TITLE: Sphaerocyclamide; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1038/s41598-018-32618-5
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 149
+CH$NAME: Sphaerocyclamide
+CH$NAME: 3-((3S,6S,12S,15S,18S,21S,26aS)-21-benzyl-15-(hydroxymethyl)-12-isopropyl-3-methyl-18-(4-((3-methylbut-2-en-1-yl)oxy)benzyl)-1,4,7,10,13,16,19,22-octaoxohexacosahydropyrrolo[1,2-a][1,4,7,10,13,16,19,22]octaazacyclotetracosin-6-yl)propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C46H63N9O11
+CH$EXACT_MASS: 917.4647038
+CH$SMILES: C[C@@H](C(N[C@@H](CCC(N)=O)C(NCC(N[C@@H](C(C)C)C(N[C@@H](CO)C(N[C@@H](CC(C=C1)=CC=C1OC/C=C(C)/C)C(N[C@H](C(N2CCC[C@H]2C3=O)=O)CC4=CC=CC=C4)=O)=O)=O)=O)=O)=O)N3[H]
+CH$IUPAC: InChI=1S/C46H63N9O11/c1-26(2)19-21-66-31-15-13-30(14-16-31)22-33-42(61)52-34(23-29-10-7-6-8-11-29)46(65)55-20-9-12-36(55)44(63)49-28(5)40(59)50-32(17-18-37(47)57)41(60)48-24-38(58)54-39(27(3)4)45(64)53-35(25-56)43(62)51-33/h6-8,10-11,13-16,19,27-28,32-36,39,56H,9,12,17-18,20-25H2,1-5H3,(H2,47,57)(H,48,60)(H,49,63)(H,50,59)(H,51,62)(H,52,61)(H,53,64)(H,54,58)/t28-,32-,33-,34-,35-,36-,39-/m0/s1
+CH$LINK: PUBCHEM CID:146683708
+CH$LINK: INCHIKEY JKBXTXMXBDJJQA-SJHSMXDOSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-958
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.279 min
+MS$FOCUSED_ION: BASE_PEAK 291.1942
+MS$FOCUSED_ION: PRECURSOR_M/Z 918.472
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00di-6920000000-ff5e2a2a1407e4ecddef
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  60.0443 C2H6NO+ 1 60.0444 -1.48
+  69.0699 C5H9+ 1 69.0699 0.34
+  70.0651 C4H8N+ 1 70.0651 -0.63
+  72.0807 C4H10N+ 1 72.0808 -0.68
+  84.0443 C4H6NO+ 1 84.0444 -0.85
+  87.0552 C3H7N2O+ 1 87.0553 -1.29
+  89.0708 C3H9N2O+ 1 89.0709 -1.22
+  101.0708 C4H9N2O+ 1 101.0709 -1
+  107.0491 C7H7O+ 1 107.0491 -0.47
+  112.0756 C6H10NO+ 1 112.0757 -0.76
+  115.0863 C5H11N2O+ 1 115.0866 -2.27
+  120.0806 C8H10N+ 1 120.0808 -1.27
+  124.1117 C8H14N+ 1 124.1121 -2.8
+  129.1021 C6H13N2O+ 1 129.1022 -0.81
+  136.0755 C8H10NO+ 1 136.0757 -1.55
+  140.0818 C6H10N3O+ 1 140.0818 -0.4
+  141.1021 C7H13N2O+ 1 141.1022 -1.28
+  155.0816 C7H11N2O2+ 1 155.0815 0.31
+  157.0969 C7H13N2O2+ 1 157.0972 -1.91
+  158.0919 C6H12N3O2+ 1 158.0924 -3.42
+  160.0753 C10H10NO+ 1 160.0757 -2.51
+  168.0765 C7H10N3O2+ 1 168.0768 -1.45
+  169.0602 C5H7N5O2+ 2 169.0594 4.73
+  169.0969 C8H13N2O2+ 1 169.0972 -1.55
+  172.1116 C12H14N+ 1 172.1121 -2.82
+  174.1272 C12H16N+ 1 174.1277 -2.89
+  183.076 C8H11N2O3+ 2 183.0764 -2.35
+  186.0874 C7H12N3O3+ 1 186.0873 0.29
+  186.1228 C6H14N6O+ 2 186.1224 2.3
+  187.107 C8H15N2O3+ 2 187.1077 -3.9
+  188.1064 C10H12N4+ 2 188.1056 4.1
+  200.1028 C8H14N3O3+ 1 200.103 -0.84
+  204.1377 C11H16N4+ 2 204.1369 3.64
+  205.097 C11H13N2O2+ 1 205.0972 -0.58
+  217.1335 C13H17N2O+ 1 217.1335 -0.26
+  223.1074 C11H15N2O3+ 2 223.1077 -1.4
+  226.1183 C10H16N3O3+ 2 226.1186 -1.55
+  231.1484 C12H17N5+ 2 231.1478 2.2
+  240.0972 C10H14N3O4+ 2 240.0979 -2.77
+  240.1337 C11H18N3O3+ 2 240.1343 -2.36
+  245.1277 C12H15N5O+ 2 245.1271 2.25
+  257.1237 C10H17N4O4+ 3 257.1244 -2.68
+  268.1278 C12H18N3O4+ 2 268.1292 -4.99
+  285.1549 C12H21N4O4+ 3 285.1557 -2.82
+  291.1694 C14H21N5O2+ 3 291.169 1.4
+PK$NUM_PEAK: 45
+PK$PEAK: m/z int. rel.int.
+  60.0443 273821.1 20
+  69.0699 236454.6 17
+  70.0651 13238403 999
+  72.0807 3269568.8 246
+  84.0443 2429073 183
+  87.0552 279851.4 21
+  89.0708 599560.9 45
+  101.0708 3505599 264
+  107.0491 429796.8 32
+  112.0756 229341.3 17
+  115.0863 326235.2 24
+  120.0806 2433898.5 183
+  124.1117 256373.1 19
+  129.1021 1098215.6 82
+  136.0755 3475297.8 262
+  140.0818 280597.7 21
+  141.1021 4200460.5 316
+  155.0816 358958.4 27
+  157.0969 647278.9 48
+  158.0919 425171.8 32
+  160.0753 223553.7 16
+  168.0765 969159.3 73
+  169.0602 556512.2 41
+  169.0969 2853636.8 215
+  172.1116 562448.2 42
+  174.1272 280041.9 21
+  183.076 515263.1 38
+  186.0874 1234109.8 93
+  186.1228 824951.7 62
+  187.107 205720.1 15
+  188.1064 564951.6 42
+  200.1028 896205.8 67
+  204.1377 993444.2 74
+  205.097 154765.9 11
+  217.1335 489965.4 36
+  223.1074 1121966.8 84
+  226.1183 580169.2 43
+  231.1484 174516.3 13
+  240.0972 536202.5 40
+  240.1337 635789.6 47
+  245.1277 417946.2 31
+  257.1237 698533.6 52
+  268.1278 445139 33
+  285.1549 291467.7 21
+  291.1694 1348632.9 101
+//
diff --git a/Eawag/MSBNK-EAWAG-EC014907.txt b/Eawag/MSBNK-EAWAG-EC014907.txt
new file mode 100644
index 0000000000..419ac101d1
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC014907.txt
@@ -0,0 +1,122 @@
+ACCESSION: MSBNK-EAWAG-EC014907
+RECORD_TITLE: Sphaerocyclamide; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1038/s41598-018-32618-5
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 149
+CH$NAME: Sphaerocyclamide
+CH$NAME: 3-((3S,6S,12S,15S,18S,21S,26aS)-21-benzyl-15-(hydroxymethyl)-12-isopropyl-3-methyl-18-(4-((3-methylbut-2-en-1-yl)oxy)benzyl)-1,4,7,10,13,16,19,22-octaoxohexacosahydropyrrolo[1,2-a][1,4,7,10,13,16,19,22]octaazacyclotetracosin-6-yl)propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C46H63N9O11
+CH$EXACT_MASS: 917.4647038
+CH$SMILES: C[C@@H](C(N[C@@H](CCC(N)=O)C(NCC(N[C@@H](C(C)C)C(N[C@@H](CO)C(N[C@@H](CC(C=C1)=CC=C1OC/C=C(C)/C)C(N[C@H](C(N2CCC[C@H]2C3=O)=O)CC4=CC=CC=C4)=O)=O)=O)=O)=O)=O)N3[H]
+CH$IUPAC: InChI=1S/C46H63N9O11/c1-26(2)19-21-66-31-15-13-30(14-16-31)22-33-42(61)52-34(23-29-10-7-6-8-11-29)46(65)55-20-9-12-36(55)44(63)49-28(5)40(59)50-32(17-18-37(47)57)41(60)48-24-38(58)54-39(27(3)4)45(64)53-35(25-56)43(62)51-33/h6-8,10-11,13-16,19,27-28,32-36,39,56H,9,12,17-18,20-25H2,1-5H3,(H2,47,57)(H,48,60)(H,49,63)(H,50,59)(H,51,62)(H,52,61)(H,53,64)(H,54,58)/t28-,32-,33-,34-,35-,36-,39-/m0/s1
+CH$LINK: PUBCHEM CID:146683708
+CH$LINK: INCHIKEY JKBXTXMXBDJJQA-SJHSMXDOSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-958
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.279 min
+MS$FOCUSED_ION: BASE_PEAK 291.1942
+MS$FOCUSED_ION: PRECURSOR_M/Z 918.472
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00di-9800000000-fd2b056c5a80ee5a61a0
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  55.0541 C4H7+ 1 55.0542 -2.45
+  60.0444 C2H6NO+ 1 60.0444 0.36
+  69.0698 C5H9+ 1 69.0699 -1.21
+  70.0651 C4H8N+ 1 70.0651 -0.63
+  72.0807 C4H10N+ 1 72.0808 -0.68
+  83.0603 C4H7N2+ 1 83.0604 -1.19
+  84.0443 C4H6NO+ 1 84.0444 -0.67
+  87.0553 C3H7N2O+ 1 87.0553 0.03
+  89.0708 C3H9N2O+ 1 89.0709 -1.48
+  101.0709 C4H9N2O+ 1 101.0709 -0.77
+  107.0491 C7H7O+ 1 107.0491 -0.4
+  112.0755 C6H10NO+ 1 112.0757 -1.99
+  113.0706 C5H9N2O+ 1 113.0709 -3.21
+  119.049 C8H7O+ 1 119.0491 -1.55
+  120.0806 C8H10N+ 1 120.0808 -1.21
+  124.1119 C8H14N+ 1 124.1121 -1.2
+  125.1073 C7H13N2+ 1 125.1073 0.19
+  129.0657 C5H9N2O2+ 1 129.0659 -1.1
+  129.102 C6H13N2O+ 1 129.1022 -1.75
+  132.0809 C9H10N+ 1 132.0808 0.81
+  136.0755 C8H10NO+ 1 136.0757 -1.44
+  140.0817 C6H10N3O+ 1 140.0818 -0.94
+  141.0657 C6H9N2O2+ 1 141.0659 -0.79
+  141.102 C7H13N2O+ 1 141.1022 -1.5
+  155.0817 C7H11N2O2+ 1 155.0815 1
+  157.097 C7H13N2O2+ 1 157.0972 -0.84
+  158.0925 C6H12N3O2+ 1 158.0924 0.54
+  160.0753 C10H10NO+ 1 160.0757 -2.51
+  166.0493 C8H8NO3+ 2 166.0499 -3.29
+  168.0765 C7H10N3O2+ 1 168.0768 -1.63
+  169.0602 C5H7N5O2+ 2 169.0594 4.82
+  169.0968 C8H13N2O2+ 1 169.0972 -2.09
+  172.1116 C12H14N+ 1 172.1121 -2.82
+  178.0862 C10H12NO2+ 1 178.0863 -0.53
+  183.0762 C8H11N2O3+ 1 183.0764 -1.26
+  186.0882 C9H14O4+ 2 186.0887 -2.58
+  186.1227 C6H14N6O+ 1 186.1224 1.72
+  188.1062 C10H12N4+ 2 188.1056 2.73
+  200.1025 C8H14N3O3+ 2 200.103 -2.51
+  223.1074 C11H15N2O3+ 2 223.1077 -1.33
+PK$NUM_PEAK: 40
+PK$PEAK: m/z int. rel.int.
+  55.0541 325276.4 17
+  60.0444 508161.1 26
+  69.0698 408764.3 21
+  70.0651 19113142 999
+  72.0807 4710629 246
+  83.0603 435176.9 22
+  84.0443 4732454.5 247
+  87.0553 403732.5 21
+  89.0708 962824.5 50
+  101.0709 3414105 178
+  107.0491 614644.4 32
+  112.0755 316030.7 16
+  113.0706 329004.1 17
+  119.049 415271.1 21
+  120.0806 3232710.8 168
+  124.1119 440057.6 23
+  125.1073 194496.9 10
+  129.0657 289678.9 15
+  129.102 1601721.4 83
+  132.0809 239512.1 12
+  136.0755 4842132 253
+  140.0817 606828.3 31
+  141.0657 841147.8 43
+  141.102 4624489.5 241
+  155.0817 352888.6 18
+  157.097 408004 21
+  158.0925 526485.4 27
+  160.0753 597394.8 31
+  166.0493 384582.5 20
+  168.0765 1105531.2 57
+  169.0602 762586 39
+  169.0968 1681212.9 87
+  172.1116 646760.8 33
+  178.0862 552608.9 28
+  183.0762 573329.5 29
+  186.0882 718617 37
+  186.1227 414358.8 21
+  188.1062 634453.1 33
+  200.1025 662471.2 34
+  223.1074 684073.6 35
+//
diff --git a/Eawag/MSBNK-EAWAG-EC014908.txt b/Eawag/MSBNK-EAWAG-EC014908.txt
new file mode 100644
index 0000000000..98832bf490
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC014908.txt
@@ -0,0 +1,116 @@
+ACCESSION: MSBNK-EAWAG-EC014908
+RECORD_TITLE: Sphaerocyclamide; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1038/s41598-018-32618-5
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 149
+CH$NAME: Sphaerocyclamide
+CH$NAME: 3-((3S,6S,12S,15S,18S,21S,26aS)-21-benzyl-15-(hydroxymethyl)-12-isopropyl-3-methyl-18-(4-((3-methylbut-2-en-1-yl)oxy)benzyl)-1,4,7,10,13,16,19,22-octaoxohexacosahydropyrrolo[1,2-a][1,4,7,10,13,16,19,22]octaazacyclotetracosin-6-yl)propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C46H63N9O11
+CH$EXACT_MASS: 917.4647038
+CH$SMILES: C[C@@H](C(N[C@@H](CCC(N)=O)C(NCC(N[C@@H](C(C)C)C(N[C@@H](CO)C(N[C@@H](CC(C=C1)=CC=C1OC/C=C(C)/C)C(N[C@H](C(N2CCC[C@H]2C3=O)=O)CC4=CC=CC=C4)=O)=O)=O)=O)=O)=O)N3[H]
+CH$IUPAC: InChI=1S/C46H63N9O11/c1-26(2)19-21-66-31-15-13-30(14-16-31)22-33-42(61)52-34(23-29-10-7-6-8-11-29)46(65)55-20-9-12-36(55)44(63)49-28(5)40(59)50-32(17-18-37(47)57)41(60)48-24-38(58)54-39(27(3)4)45(64)53-35(25-56)43(62)51-33/h6-8,10-11,13-16,19,27-28,32-36,39,56H,9,12,17-18,20-25H2,1-5H3,(H2,47,57)(H,48,60)(H,49,63)(H,50,59)(H,51,62)(H,52,61)(H,53,64)(H,54,58)/t28-,32-,33-,34-,35-,36-,39-/m0/s1
+CH$LINK: PUBCHEM CID:146683708
+CH$LINK: INCHIKEY JKBXTXMXBDJJQA-SJHSMXDOSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-958
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.279 min
+MS$FOCUSED_ION: BASE_PEAK 291.1942
+MS$FOCUSED_ION: PRECURSOR_M/Z 918.472
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00di-9500000000-7c155a8ec489b1704812
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  55.0541 C4H7+ 1 55.0542 -2.66
+  56.0494 C3H6N+ 1 56.0495 -1.53
+  60.0444 C2H6NO+ 1 60.0444 -0.59
+  69.0698 C5H9+ 1 69.0699 -1.54
+  70.065 C4H8N+ 1 70.0651 -1.17
+  72.0807 C4H10N+ 1 72.0808 -1.31
+  83.0603 C4H7N2+ 1 83.0604 -0.91
+  84.0443 C4H6NO+ 1 84.0444 -1.3
+  87.0552 C3H7N2O+ 1 87.0553 -1.11
+  89.0707 C3H9N2O+ 1 89.0709 -2.42
+  91.0541 C7H7+ 1 91.0542 -1.12
+  96.0444 C5H6NO+ 1 96.0444 0.18
+  101.0708 C4H9N2O+ 1 101.0709 -1.6
+  107.0489 C7H7O+ 1 107.0491 -2.54
+  112.0757 C6H10NO+ 1 112.0757 -0.35
+  113.0706 C5H9N2O+ 1 113.0709 -3.35
+  119.0489 C8H7O+ 1 119.0491 -2
+  120.0806 C8H10N+ 1 120.0808 -1.59
+  124.1121 C8H14N+ 1 124.1121 0.03
+  127.0861 C6H11N2O+ 1 127.0866 -3.57
+  129.102 C6H13N2O+ 1 129.1022 -2.11
+  132.0805 C9H10N+ 1 132.0808 -2.31
+  136.0754 C8H10NO+ 1 136.0757 -2
+  140.0817 C6H10N3O+ 1 140.0818 -1.05
+  141.0655 C6H9N2O2+ 1 141.0659 -2.73
+  141.102 C7H13N2O+ 1 141.1022 -1.93
+  158.0925 C6H12N3O2+ 1 158.0924 0.35
+  160.0753 C10H10NO+ 1 160.0757 -2.32
+  162.0912 C10H12NO+ 1 162.0913 -0.67
+  166.0494 C8H8NO3+ 2 166.0499 -3.11
+  168.0766 C7H10N3O2+ 1 168.0768 -0.72
+  169.0968 C8H13N2O2+ 1 169.0972 -2.36
+  172.1116 C12H14N+ 1 172.1121 -2.91
+  178.0862 C10H12NO2+ 1 178.0863 -0.1
+  183.0763 C8H11N2O3+ 1 183.0764 -0.76
+  188.1065 C10H12N4+ 2 188.1056 4.59
+  222.1234 C11H16N3O2+ 2 222.1237 -1.4
+PK$NUM_PEAK: 37
+PK$PEAK: m/z int. rel.int.
+  55.0541 406593.1 16
+  56.0494 472470.6 19
+  60.0444 735257.2 30
+  69.0698 779351.9 32
+  70.065 23956474 999
+  72.0807 5974865 249
+  83.0603 520004.6 21
+  84.0443 7085816.5 295
+  87.0552 308629.1 12
+  89.0707 1051207 43
+  91.0541 1095920.9 45
+  96.0444 330117.6 13
+  101.0708 2128932 88
+  107.0489 577823.7 24
+  112.0757 244698.8 10
+  113.0706 367918.7 15
+  119.0489 728248.1 30
+  120.0806 3769484.5 157
+  124.1121 426734.4 17
+  127.0861 315654.9 13
+  129.102 1519727.5 63
+  132.0805 354807.2 14
+  136.0754 4223245.5 176
+  140.0817 864616.2 36
+  141.0655 936359.5 39
+  141.102 3206222.8 133
+  158.0925 366667.4 15
+  160.0753 831275.6 34
+  162.0912 306870 12
+  166.0494 516825.6 21
+  168.0766 825396.7 34
+  169.0968 878440.1 36
+  172.1116 425859.3 17
+  178.0862 396701.6 16
+  183.0763 457636.9 19
+  188.1065 455591.2 18
+  222.1234 262145.2 10
+//
diff --git a/Eawag/MSBNK-EAWAG-EC014909.txt b/Eawag/MSBNK-EAWAG-EC014909.txt
new file mode 100644
index 0000000000..67bf279ed3
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC014909.txt
@@ -0,0 +1,102 @@
+ACCESSION: MSBNK-EAWAG-EC014909
+RECORD_TITLE: Sphaerocyclamide; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1038/s41598-018-32618-5
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 149
+CH$NAME: Sphaerocyclamide
+CH$NAME: 3-((3S,6S,12S,15S,18S,21S,26aS)-21-benzyl-15-(hydroxymethyl)-12-isopropyl-3-methyl-18-(4-((3-methylbut-2-en-1-yl)oxy)benzyl)-1,4,7,10,13,16,19,22-octaoxohexacosahydropyrrolo[1,2-a][1,4,7,10,13,16,19,22]octaazacyclotetracosin-6-yl)propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C46H63N9O11
+CH$EXACT_MASS: 917.4647038
+CH$SMILES: C[C@@H](C(N[C@@H](CCC(N)=O)C(NCC(N[C@@H](C(C)C)C(N[C@@H](CO)C(N[C@@H](CC(C=C1)=CC=C1OC/C=C(C)/C)C(N[C@H](C(N2CCC[C@H]2C3=O)=O)CC4=CC=CC=C4)=O)=O)=O)=O)=O)=O)N3[H]
+CH$IUPAC: InChI=1S/C46H63N9O11/c1-26(2)19-21-66-31-15-13-30(14-16-31)22-33-42(61)52-34(23-29-10-7-6-8-11-29)46(65)55-20-9-12-36(55)44(63)49-28(5)40(59)50-32(17-18-37(47)57)41(60)48-24-38(58)54-39(27(3)4)45(64)53-35(25-56)43(62)51-33/h6-8,10-11,13-16,19,27-28,32-36,39,56H,9,12,17-18,20-25H2,1-5H3,(H2,47,57)(H,48,60)(H,49,63)(H,50,59)(H,51,62)(H,52,61)(H,53,64)(H,54,58)/t28-,32-,33-,34-,35-,36-,39-/m0/s1
+CH$LINK: PUBCHEM CID:146683708
+CH$LINK: INCHIKEY JKBXTXMXBDJJQA-SJHSMXDOSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-958
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.279 min
+MS$FOCUSED_ION: BASE_PEAK 291.1942
+MS$FOCUSED_ION: PRECURSOR_M/Z 918.472
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00di-9300000000-e1136038ab996b935baa
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  55.0542 C4H7+ 1 55.0542 -0.37
+  56.0494 C3H6N+ 1 56.0495 -1.59
+  60.0444 C2H6NO+ 1 60.0444 -0.15
+  69.0699 C5H9+ 1 69.0699 -0.1
+  70.0651 C4H8N+ 1 70.0651 -0.95
+  72.0807 C4H10N+ 1 72.0808 -1.1
+  83.0603 C4H7N2+ 1 83.0604 -1.28
+  84.0443 C4H6NO+ 1 84.0444 -1.12
+  89.0708 C3H9N2O+ 1 89.0709 -1.82
+  91.0542 C7H7+ 1 91.0542 -0.78
+  96.0444 C5H6NO+ 1 96.0444 0.1
+  101.0708 C4H9N2O+ 1 101.0709 -1.22
+  107.0491 C7H7O+ 1 107.0491 -0.18
+  112.0755 C6H10NO+ 1 112.0757 -1.31
+  113.0707 C5H9N2O+ 1 113.0709 -2.34
+  119.0491 C8H7O+ 1 119.0491 -0.66
+  120.0806 C8H10N+ 1 120.0808 -1.72
+  124.1119 C8H14N+ 1 124.1121 -1.75
+  127.0863 C6H11N2O+ 1 127.0866 -2.55
+  129.1021 C6H13N2O+ 1 129.1022 -1.4
+  132.0805 C9H10N+ 1 132.0808 -2.08
+  135.0675 C8H9NO+ 1 135.0679 -2.35
+  136.0754 C8H10NO+ 1 136.0757 -1.78
+  140.0816 C6H10N3O+ 1 140.0818 -2.03
+  141.0654 C6H9N2O2+ 1 141.0659 -3.06
+  141.1021 C7H13N2O+ 1 141.1022 -1.28
+  146.0597 C9H8NO+ 1 146.06 -2.38
+  160.0753 C10H10NO+ 1 160.0757 -2.7
+  166.0497 C8H8NO3+ 1 166.0499 -0.9
+  168.0765 C7H10N3O2+ 1 168.0768 -1.72
+PK$NUM_PEAK: 30
+PK$PEAK: m/z int. rel.int.
+  55.0542 556778.8 19
+  56.0494 664232.6 23
+  60.0444 721951.7 25
+  69.0699 904904.4 32
+  70.0651 28143998 999
+  72.0807 5854780 207
+  83.0603 837460.6 29
+  84.0443 8756223 310
+  89.0708 867706.4 30
+  91.0542 2153701.5 76
+  96.0444 384707.8 13
+  101.0708 1567153.4 55
+  107.0491 689470.8 24
+  112.0755 306224 10
+  113.0707 428786 15
+  119.0491 1440071.9 51
+  120.0806 3356395.5 119
+  124.1119 408288 14
+  127.0863 284391.3 10
+  129.1021 1179268 41
+  132.0805 297923.7 10
+  135.0675 345657.6 12
+  136.0754 3331663.5 118
+  140.0816 713112.2 25
+  141.0654 686316.4 24
+  141.1021 1847827.6 65
+  146.0597 299679.5 10
+  160.0753 940499.7 33
+  166.0497 548448.6 19
+  168.0765 348959.1 12
+//
diff --git a/Eawag/MSBNK-EAWAG-EC014951.txt b/Eawag/MSBNK-EAWAG-EC014951.txt
new file mode 100644
index 0000000000..bc9965a63c
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC014951.txt
@@ -0,0 +1,48 @@
+ACCESSION: MSBNK-EAWAG-EC014951
+RECORD_TITLE: Sphaerocyclamide; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1038/s41598-018-32618-5
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 149
+CH$NAME: Sphaerocyclamide
+CH$NAME: 3-((3S,6S,12S,15S,18S,21S,26aS)-21-benzyl-15-(hydroxymethyl)-12-isopropyl-3-methyl-18-(4-((3-methylbut-2-en-1-yl)oxy)benzyl)-1,4,7,10,13,16,19,22-octaoxohexacosahydropyrrolo[1,2-a][1,4,7,10,13,16,19,22]octaazacyclotetracosin-6-yl)propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C46H63N9O11
+CH$EXACT_MASS: 917.4647038
+CH$SMILES: C[C@@H](C(N[C@@H](CCC(N)=O)C(NCC(N[C@@H](C(C)C)C(N[C@@H](CO)C(N[C@@H](CC(C=C1)=CC=C1OC/C=C(C)/C)C(N[C@H](C(N2CCC[C@H]2C3=O)=O)CC4=CC=CC=C4)=O)=O)=O)=O)=O)=O)N3[H]
+CH$IUPAC: InChI=1S/C46H63N9O11/c1-26(2)19-21-66-31-15-13-30(14-16-31)22-33-42(61)52-34(23-29-10-7-6-8-11-29)46(65)55-20-9-12-36(55)44(63)49-28(5)40(59)50-32(17-18-37(47)57)41(60)48-24-38(58)54-39(27(3)4)45(64)53-35(25-56)43(62)51-33/h6-8,10-11,13-16,19,27-28,32-36,39,56H,9,12,17-18,20-25H2,1-5H3,(H2,47,57)(H,48,60)(H,49,63)(H,50,59)(H,51,62)(H,52,61)(H,53,64)(H,54,58)/t28-,32-,33-,34-,35-,36-,39-/m0/s1
+CH$LINK: PUBCHEM CID:146683708
+CH$LINK: INCHIKEY JKBXTXMXBDJJQA-SJHSMXDOSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-956
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.292 min
+MS$FOCUSED_ION: BASE_PEAK 307.1911
+MS$FOCUSED_ION: PRECURSOR_M/Z 916.4574
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-014r-0000000059-25976963c37e9bb5a8fa
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  886.4472 C45H60N9O10- 1 886.4469 0.41
+  898.4476 C46H60N9O10- 1 898.4469 0.77
+  916.4581 C46H62N9O11- 1 916.4574 0.72
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  886.4472 1786392.4 577
+  898.4476 173381.3 56
+  916.4581 3088635.8 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC014952.txt b/Eawag/MSBNK-EAWAG-EC014952.txt
new file mode 100644
index 0000000000..4bb92fea7d
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC014952.txt
@@ -0,0 +1,50 @@
+ACCESSION: MSBNK-EAWAG-EC014952
+RECORD_TITLE: Sphaerocyclamide; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1038/s41598-018-32618-5
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 149
+CH$NAME: Sphaerocyclamide
+CH$NAME: 3-((3S,6S,12S,15S,18S,21S,26aS)-21-benzyl-15-(hydroxymethyl)-12-isopropyl-3-methyl-18-(4-((3-methylbut-2-en-1-yl)oxy)benzyl)-1,4,7,10,13,16,19,22-octaoxohexacosahydropyrrolo[1,2-a][1,4,7,10,13,16,19,22]octaazacyclotetracosin-6-yl)propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C46H63N9O11
+CH$EXACT_MASS: 917.4647038
+CH$SMILES: C[C@@H](C(N[C@@H](CCC(N)=O)C(NCC(N[C@@H](C(C)C)C(N[C@@H](CO)C(N[C@@H](CC(C=C1)=CC=C1OC/C=C(C)/C)C(N[C@H](C(N2CCC[C@H]2C3=O)=O)CC4=CC=CC=C4)=O)=O)=O)=O)=O)=O)N3[H]
+CH$IUPAC: InChI=1S/C46H63N9O11/c1-26(2)19-21-66-31-15-13-30(14-16-31)22-33-42(61)52-34(23-29-10-7-6-8-11-29)46(65)55-20-9-12-36(55)44(63)49-28(5)40(59)50-32(17-18-37(47)57)41(60)48-24-38(58)54-39(27(3)4)45(64)53-35(25-56)43(62)51-33/h6-8,10-11,13-16,19,27-28,32-36,39,56H,9,12,17-18,20-25H2,1-5H3,(H2,47,57)(H,48,60)(H,49,63)(H,50,59)(H,51,62)(H,52,61)(H,53,64)(H,54,58)/t28-,32-,33-,34-,35-,36-,39-/m0/s1
+CH$LINK: PUBCHEM CID:146683708
+CH$LINK: INCHIKEY JKBXTXMXBDJJQA-SJHSMXDOSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-956
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.292 min
+MS$FOCUSED_ION: BASE_PEAK 307.1911
+MS$FOCUSED_ION: PRECURSOR_M/Z 916.4574
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-000i-0000000091-4859939248fb58d6d201
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  525.2787 C36H35N3O- 7 525.2786 0.26
+  886.4474 C45H60N9O10- 1 886.4469 0.55
+  898.448 C46H60N9O10- 1 898.4469 1.32
+  916.4583 C46H62N9O11- 1 916.4574 0.99
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  525.2787 294365 46
+  886.4474 6297507 999
+  898.448 538356.4 85
+  916.4583 1183552.9 187
+//
diff --git a/Eawag/MSBNK-EAWAG-EC014953.txt b/Eawag/MSBNK-EAWAG-EC014953.txt
new file mode 100644
index 0000000000..c304165839
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC014953.txt
@@ -0,0 +1,48 @@
+ACCESSION: MSBNK-EAWAG-EC014953
+RECORD_TITLE: Sphaerocyclamide; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1038/s41598-018-32618-5
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 149
+CH$NAME: Sphaerocyclamide
+CH$NAME: 3-((3S,6S,12S,15S,18S,21S,26aS)-21-benzyl-15-(hydroxymethyl)-12-isopropyl-3-methyl-18-(4-((3-methylbut-2-en-1-yl)oxy)benzyl)-1,4,7,10,13,16,19,22-octaoxohexacosahydropyrrolo[1,2-a][1,4,7,10,13,16,19,22]octaazacyclotetracosin-6-yl)propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C46H63N9O11
+CH$EXACT_MASS: 917.4647038
+CH$SMILES: C[C@@H](C(N[C@@H](CCC(N)=O)C(NCC(N[C@@H](C(C)C)C(N[C@@H](CO)C(N[C@@H](CC(C=C1)=CC=C1OC/C=C(C)/C)C(N[C@H](C(N2CCC[C@H]2C3=O)=O)CC4=CC=CC=C4)=O)=O)=O)=O)=O)=O)N3[H]
+CH$IUPAC: InChI=1S/C46H63N9O11/c1-26(2)19-21-66-31-15-13-30(14-16-31)22-33-42(61)52-34(23-29-10-7-6-8-11-29)46(65)55-20-9-12-36(55)44(63)49-28(5)40(59)50-32(17-18-37(47)57)41(60)48-24-38(58)54-39(27(3)4)45(64)53-35(25-56)43(62)51-33/h6-8,10-11,13-16,19,27-28,32-36,39,56H,9,12,17-18,20-25H2,1-5H3,(H2,47,57)(H,48,60)(H,49,63)(H,50,59)(H,51,62)(H,52,61)(H,53,64)(H,54,58)/t28-,32-,33-,34-,35-,36-,39-/m0/s1
+CH$LINK: PUBCHEM CID:146683708
+CH$LINK: INCHIKEY JKBXTXMXBDJJQA-SJHSMXDOSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-956
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.292 min
+MS$FOCUSED_ION: BASE_PEAK 307.1911
+MS$FOCUSED_ION: PRECURSOR_M/Z 916.4574
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-000i-0000030090-962f68acac0576a5412f
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  525.2788 C36H35N3O- 7 525.2786 0.38
+  711.3342 C46H47O7- 6 711.3327 2.02
+  886.4474 C45H60N9O10- 1 886.4469 0.55
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  525.2788 1512073 380
+  711.3342 393020.6 98
+  886.4474 3966339 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC014954.txt b/Eawag/MSBNK-EAWAG-EC014954.txt
new file mode 100644
index 0000000000..5a625fdb28
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC014954.txt
@@ -0,0 +1,50 @@
+ACCESSION: MSBNK-EAWAG-EC014954
+RECORD_TITLE: Sphaerocyclamide; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1038/s41598-018-32618-5
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 149
+CH$NAME: Sphaerocyclamide
+CH$NAME: 3-((3S,6S,12S,15S,18S,21S,26aS)-21-benzyl-15-(hydroxymethyl)-12-isopropyl-3-methyl-18-(4-((3-methylbut-2-en-1-yl)oxy)benzyl)-1,4,7,10,13,16,19,22-octaoxohexacosahydropyrrolo[1,2-a][1,4,7,10,13,16,19,22]octaazacyclotetracosin-6-yl)propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C46H63N9O11
+CH$EXACT_MASS: 917.4647038
+CH$SMILES: C[C@@H](C(N[C@@H](CCC(N)=O)C(NCC(N[C@@H](C(C)C)C(N[C@@H](CO)C(N[C@@H](CC(C=C1)=CC=C1OC/C=C(C)/C)C(N[C@H](C(N2CCC[C@H]2C3=O)=O)CC4=CC=CC=C4)=O)=O)=O)=O)=O)=O)N3[H]
+CH$IUPAC: InChI=1S/C46H63N9O11/c1-26(2)19-21-66-31-15-13-30(14-16-31)22-33-42(61)52-34(23-29-10-7-6-8-11-29)46(65)55-20-9-12-36(55)44(63)49-28(5)40(59)50-32(17-18-37(47)57)41(60)48-24-38(58)54-39(27(3)4)45(64)53-35(25-56)43(62)51-33/h6-8,10-11,13-16,19,27-28,32-36,39,56H,9,12,17-18,20-25H2,1-5H3,(H2,47,57)(H,48,60)(H,49,63)(H,50,59)(H,51,62)(H,52,61)(H,53,64)(H,54,58)/t28-,32-,33-,34-,35-,36-,39-/m0/s1
+CH$LINK: PUBCHEM CID:146683708
+CH$LINK: INCHIKEY JKBXTXMXBDJJQA-SJHSMXDOSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-956
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.292 min
+MS$FOCUSED_ION: BASE_PEAK 307.1911
+MS$FOCUSED_ION: PRECURSOR_M/Z 916.4574
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-004i-0000090130-45a81bc50e341150b142
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  312.1672 C13H22N5O4- 3 312.1677 -1.54
+  525.2791 C22H37N8O7- 7 525.2791 0.11
+  711.335 C46H47O7- 5 711.3327 3.14
+  886.4475 C45H60N9O10- 1 886.4469 0.69
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  312.1672 211474.1 104
+  525.2791 2029138.5 999
+  711.335 439909.4 216
+  886.4475 783080.5 385
+//
diff --git a/Eawag/MSBNK-EAWAG-EC014955.txt b/Eawag/MSBNK-EAWAG-EC014955.txt
new file mode 100644
index 0000000000..43bb8cb820
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC014955.txt
@@ -0,0 +1,84 @@
+ACCESSION: MSBNK-EAWAG-EC014955
+RECORD_TITLE: Sphaerocyclamide; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1038/s41598-018-32618-5
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 149
+CH$NAME: Sphaerocyclamide
+CH$NAME: 3-((3S,6S,12S,15S,18S,21S,26aS)-21-benzyl-15-(hydroxymethyl)-12-isopropyl-3-methyl-18-(4-((3-methylbut-2-en-1-yl)oxy)benzyl)-1,4,7,10,13,16,19,22-octaoxohexacosahydropyrrolo[1,2-a][1,4,7,10,13,16,19,22]octaazacyclotetracosin-6-yl)propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C46H63N9O11
+CH$EXACT_MASS: 917.4647038
+CH$SMILES: C[C@@H](C(N[C@@H](CCC(N)=O)C(NCC(N[C@@H](C(C)C)C(N[C@@H](CO)C(N[C@@H](CC(C=C1)=CC=C1OC/C=C(C)/C)C(N[C@H](C(N2CCC[C@H]2C3=O)=O)CC4=CC=CC=C4)=O)=O)=O)=O)=O)=O)N3[H]
+CH$IUPAC: InChI=1S/C46H63N9O11/c1-26(2)19-21-66-31-15-13-30(14-16-31)22-33-42(61)52-34(23-29-10-7-6-8-11-29)46(65)55-20-9-12-36(55)44(63)49-28(5)40(59)50-32(17-18-37(47)57)41(60)48-24-38(58)54-39(27(3)4)45(64)53-35(25-56)43(62)51-33/h6-8,10-11,13-16,19,27-28,32-36,39,56H,9,12,17-18,20-25H2,1-5H3,(H2,47,57)(H,48,60)(H,49,63)(H,50,59)(H,51,62)(H,52,61)(H,53,64)(H,54,58)/t28-,32-,33-,34-,35-,36-,39-/m0/s1
+CH$LINK: PUBCHEM CID:146683708
+CH$LINK: INCHIKEY JKBXTXMXBDJJQA-SJHSMXDOSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-956
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.292 min
+MS$FOCUSED_ION: BASE_PEAK 307.1911
+MS$FOCUSED_ION: PRECURSOR_M/Z 916.4574
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-004i-0967020000-640226a7ecf71db9f8bf
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  99.0201 C3H3N2O2- 1 99.02 0.65
+  127.0513 C5H7N2O2- 1 127.0513 -0.13
+  144.0779 C5H10N3O2- 1 144.0779 0.48
+  155.082 C7H11N2O2- 2 155.0826 -4.18
+  166.0621 C7H8N3O2- 1 166.0622 -0.65
+  172.1087 C7H14N3O2- 1 172.1092 -2.35
+  174.056 C10H8NO2- 1 174.0561 -0.58
+  180.0774 C8H10N3O2- 1 180.0779 -2.27
+  194.0934 C9H12N3O2- 1 194.0935 -0.51
+  198.0878 C8H12N3O3- 2 198.0884 -2.99
+  201.0991 C7H13N4O3- 1 201.0993 -1.18
+  211.1193 C9H15N4O2- 3 211.12 -3.41
+  229.1302 C9H17N4O3- 3 229.1306 -1.85
+  255.1096 C10H15N4O4- 3 255.1099 -0.97
+  312.1677 C13H22N5O4- 5 312.1677 -0.07
+  314.1506 C15H18N6O2- 3 314.1497 2.79
+  340.1603 C11H24N4O8- 4 340.16 0.93
+  350.183 C17H20N9- 5 350.1847 -4.79
+  357.1898 C14H25N6O5- 2 357.1892 1.65
+  369.1897 C15H25N6O5- 4 369.1892 1.25
+  525.2791 C22H37N8O7- 7 525.2791 0.11
+PK$NUM_PEAK: 21
+PK$PEAK: m/z int. rel.int.
+  99.0201 66715.2 100
+  127.0513 368046.4 555
+  144.0779 82933 125
+  155.082 98526.8 148
+  166.0621 53259.2 80
+  172.1087 242336.4 365
+  174.056 63453 95
+  180.0774 311921.8 470
+  194.0934 98172.2 148
+  198.0878 189668.6 286
+  201.0991 59259.4 89
+  211.1193 154597.4 233
+  229.1302 661799.1 999
+  255.1096 156802.1 236
+  312.1677 313740.9 473
+  314.1506 112710.8 170
+  340.1603 166807.5 251
+  350.183 211802.2 319
+  357.1898 213354.8 322
+  369.1897 245716.8 370
+  525.2791 348557.1 526
+//
diff --git a/Eawag/MSBNK-EAWAG-EC014956.txt b/Eawag/MSBNK-EAWAG-EC014956.txt
new file mode 100644
index 0000000000..78ead66914
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC014956.txt
@@ -0,0 +1,88 @@
+ACCESSION: MSBNK-EAWAG-EC014956
+RECORD_TITLE: Sphaerocyclamide; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1038/s41598-018-32618-5
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 149
+CH$NAME: Sphaerocyclamide
+CH$NAME: 3-((3S,6S,12S,15S,18S,21S,26aS)-21-benzyl-15-(hydroxymethyl)-12-isopropyl-3-methyl-18-(4-((3-methylbut-2-en-1-yl)oxy)benzyl)-1,4,7,10,13,16,19,22-octaoxohexacosahydropyrrolo[1,2-a][1,4,7,10,13,16,19,22]octaazacyclotetracosin-6-yl)propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C46H63N9O11
+CH$EXACT_MASS: 917.4647038
+CH$SMILES: C[C@@H](C(N[C@@H](CCC(N)=O)C(NCC(N[C@@H](C(C)C)C(N[C@@H](CO)C(N[C@@H](CC(C=C1)=CC=C1OC/C=C(C)/C)C(N[C@H](C(N2CCC[C@H]2C3=O)=O)CC4=CC=CC=C4)=O)=O)=O)=O)=O)=O)N3[H]
+CH$IUPAC: InChI=1S/C46H63N9O11/c1-26(2)19-21-66-31-15-13-30(14-16-31)22-33-42(61)52-34(23-29-10-7-6-8-11-29)46(65)55-20-9-12-36(55)44(63)49-28(5)40(59)50-32(17-18-37(47)57)41(60)48-24-38(58)54-39(27(3)4)45(64)53-35(25-56)43(62)51-33/h6-8,10-11,13-16,19,27-28,32-36,39,56H,9,12,17-18,20-25H2,1-5H3,(H2,47,57)(H,48,60)(H,49,63)(H,50,59)(H,51,62)(H,52,61)(H,53,64)(H,54,58)/t28-,32-,33-,34-,35-,36-,39-/m0/s1
+CH$LINK: PUBCHEM CID:146683708
+CH$LINK: INCHIKEY JKBXTXMXBDJJQA-SJHSMXDOSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-956
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.292 min
+MS$FOCUSED_ION: BASE_PEAK 307.1911
+MS$FOCUSED_ION: PRECURSOR_M/Z 916.4574
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0059-0930000000-4a93c7ad0430b580ab62
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  99.02 C3H3N2O2- 1 99.02 -0.2
+  111.0566 C5H7N2O- 1 111.0564 2.27
+  113.0357 C4H5N2O2- 1 113.0357 0.7
+  113.072 C5H9N2O- 1 113.072 0.09
+  125.072 C6H9N2O- 1 125.072 -0.63
+  127.0513 C5H7N2O2- 1 127.0513 -0.37
+  137.0719 C7H9N2O- 1 137.072 -0.75
+  139.0514 C6H7N2O2- 1 139.0513 0.96
+  144.0777 C5H10N3O2- 1 144.0779 -1.11
+  155.0824 C7H11N2O2- 1 155.0826 -1.03
+  167.0824 C8H11N2O2- 1 167.0826 -1.43
+  172.1088 C7H14N3O2- 1 172.1092 -2.17
+  180.0774 C8H10N3O2- 1 180.0779 -2.27
+  184.0744 C9H12O4- 1 184.0741 1.58
+  184.1087 C8H14N3O2- 2 184.1092 -2.45
+  194.0931 C9H12N3O2- 2 194.0935 -2.08
+  198.0881 C8H12N3O3- 2 198.0884 -1.84
+  211.1198 C9H15N4O2- 1 211.12 -1.32
+  229.1302 C9H17N4O3- 3 229.1306 -1.92
+  241.1307 C10H17N4O3- 1 241.1306 0.45
+  255.1099 C10H15N4O4- 1 255.1099 0.23
+  283.1404 C11H23O8- 3 283.1398 2.08
+  312.1683 C13H22N5O4- 4 312.1677 1.88
+PK$NUM_PEAK: 23
+PK$PEAK: m/z int. rel.int.
+  99.02 191206.5 323
+  111.0566 42689.9 72
+  113.0357 198019.9 334
+  113.072 127819.5 215
+  125.072 24698.1 41
+  127.0513 525458.2 887
+  137.0719 255432 431
+  139.0514 76299.9 128
+  144.0777 103665.8 175
+  155.0824 215849.8 364
+  167.0824 113617.4 191
+  172.1088 480706.7 812
+  180.0774 409719 692
+  184.0744 103069 174
+  184.1087 409481.7 691
+  194.0931 130737.6 220
+  198.0881 325415.1 549
+  211.1198 287985 486
+  229.1302 591335.1 999
+  241.1307 119747.1 202
+  255.1099 163117 275
+  283.1404 61828.1 104
+  312.1683 124346.2 210
+//
diff --git a/Eawag/MSBNK-EAWAG-EC014957.txt b/Eawag/MSBNK-EAWAG-EC014957.txt
new file mode 100644
index 0000000000..8b7ce5f4bb
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC014957.txt
@@ -0,0 +1,96 @@
+ACCESSION: MSBNK-EAWAG-EC014957
+RECORD_TITLE: Sphaerocyclamide; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1038/s41598-018-32618-5
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 149
+CH$NAME: Sphaerocyclamide
+CH$NAME: 3-((3S,6S,12S,15S,18S,21S,26aS)-21-benzyl-15-(hydroxymethyl)-12-isopropyl-3-methyl-18-(4-((3-methylbut-2-en-1-yl)oxy)benzyl)-1,4,7,10,13,16,19,22-octaoxohexacosahydropyrrolo[1,2-a][1,4,7,10,13,16,19,22]octaazacyclotetracosin-6-yl)propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C46H63N9O11
+CH$EXACT_MASS: 917.4647038
+CH$SMILES: C[C@@H](C(N[C@@H](CCC(N)=O)C(NCC(N[C@@H](C(C)C)C(N[C@@H](CO)C(N[C@@H](CC(C=C1)=CC=C1OC/C=C(C)/C)C(N[C@H](C(N2CCC[C@H]2C3=O)=O)CC4=CC=CC=C4)=O)=O)=O)=O)=O)=O)N3[H]
+CH$IUPAC: InChI=1S/C46H63N9O11/c1-26(2)19-21-66-31-15-13-30(14-16-31)22-33-42(61)52-34(23-29-10-7-6-8-11-29)46(65)55-20-9-12-36(55)44(63)49-28(5)40(59)50-32(17-18-37(47)57)41(60)48-24-38(58)54-39(27(3)4)45(64)53-35(25-56)43(62)51-33/h6-8,10-11,13-16,19,27-28,32-36,39,56H,9,12,17-18,20-25H2,1-5H3,(H2,47,57)(H,48,60)(H,49,63)(H,50,59)(H,51,62)(H,52,61)(H,53,64)(H,54,58)/t28-,32-,33-,34-,35-,36-,39-/m0/s1
+CH$LINK: PUBCHEM CID:146683708
+CH$LINK: INCHIKEY JKBXTXMXBDJJQA-SJHSMXDOSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-956
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.292 min
+MS$FOCUSED_ION: BASE_PEAK 307.1911
+MS$FOCUSED_ION: PRECURSOR_M/Z 916.4574
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0201-1910000000-6962c7e2712eccec9263
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  82.0299 C4H4NO- 1 82.0298 0.63
+  87.0565 C3H7N2O- 1 87.0564 1.67
+  97.0046 C3HN2O2- 1 97.0044 2.11
+  97.0408 C4H5N2O- 1 97.0407 0.37
+  99.02 C3H3N2O2- 1 99.02 -0.12
+  111.0199 C4H3N2O2- 1 111.02 -0.54
+  112.0519 C4H6N3O- 1 112.0516 2.01
+  113.0356 C4H5N2O2- 1 113.0357 -0.11
+  113.072 C5H9N2O- 1 113.072 -0.18
+  115.0876 C5H11N2O- 1 115.0877 -0.64
+  119.0503 C8H7O- 1 119.0502 0.5
+  125.0354 C5H5N2O2- 1 125.0357 -2.21
+  127.0513 C5H7N2O2- 1 127.0513 0.05
+  130.0621 C4H8N3O2- 1 130.0622 -0.91
+  133.0534 C8H7NO- 1 133.0533 0.4
+  137.0719 C7H9N2O- 1 137.072 -0.64
+  144.0777 C5H10N3O2- 1 144.0779 -1.11
+  153.0667 C7H9N2O2- 1 153.067 -1.41
+  155.0824 C7H11N2O2- 1 155.0826 -1.62
+  167.0823 C8H11N2O2- 1 167.0826 -1.79
+  172.1087 C7H14N3O2- 1 172.1092 -2.53
+  180.0775 C8H10N3O2- 1 180.0779 -2.02
+  198.088 C8H12N3O3- 2 198.0884 -2.3
+  211.1195 C9H15N4O2- 3 211.12 -2.47
+  223.1197 C10H15N4O2- 3 223.12 -1.57
+  229.1302 C9H17N4O3- 3 229.1306 -1.92
+  255.1101 C10H15N4O4- 3 255.1099 0.71
+PK$NUM_PEAK: 27
+PK$PEAK: m/z int. rel.int.
+  82.0299 91913.9 150
+  87.0565 59120.3 97
+  97.0046 49162.9 80
+  97.0408 49328.4 80
+  99.02 267516.4 439
+  111.0199 194632.5 319
+  112.0519 48830.4 80
+  113.0356 263158.2 431
+  113.072 209752.1 344
+  115.0876 69455.8 114
+  119.0503 124093.2 203
+  125.0354 134438 220
+  127.0513 522953.6 858
+  130.0621 152235.3 249
+  133.0534 28041.7 46
+  137.0719 347409 570
+  144.0777 97997.3 160
+  153.0667 70309 115
+  155.0824 264123.4 433
+  167.0823 111207.9 182
+  172.1087 608642.6 999
+  180.0775 311296.2 510
+  198.088 257615.6 422
+  211.1195 309828.2 508
+  223.1197 92895.5 152
+  229.1302 297368.1 488
+  255.1101 71774.5 117
+//
diff --git a/Eawag/MSBNK-EAWAG-EC017301.txt b/Eawag/MSBNK-EAWAG-EC017301.txt
new file mode 100644
index 0000000000..44d955951f
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC017301.txt
@@ -0,0 +1,46 @@
+ACCESSION: MSBNK-EAWAG-EC017301
+RECORD_TITLE: Portoamide C; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1073/pnas.0914343107
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 173
+CH$NAME: Portoamide C
+CH$NAME: 3-((6R,9S,15S,18R,20aS,25aS,34R,40aS,E)-18-((S)-sec-butyl)-12-ethylidene-37-hydroxy-9-((R)-1-hydroxyethyl)-15-(hydroxymethyl)-6-(4-methoxyphenethyl)-5,8,11,14,17,20,25,30,33,36,40-undecaoxo-38-(2,4,5-trihydroxy-7-methyloctyl)octatriacontahydro-1H,25H-tripyrrolo[1,2-b1:1`,2`-g:1``,2``-j][1,4,7,10,13,16,19,22,25,28,31]undecaazacyclotetratriacontin-34-yl)propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C62H96N12O19
+CH$EXACT_MASS: 1312.691469
+CH$SMILES: O=C([C@@H](CCC(N)=O)NC1=O)NCC(N2[C@@H](CCC2)C(N3[C@@H](CCC3)C(N[C@H]([C@@H](C)CC)C(N[C@@H](CO)C(N/C(C(N[C@@H]([C@@H](C)O)C(N[C@H](CCC4=CC=C(OC)C=C4)C(N5[C@@H](CCC5)C(NC(CC(O)CC(O)C(O)CC(C)C)C1O)=O)=O)=O)=O)=C/C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C62H96N12O19/c1-8-33(5)50-58(88)69-42(31-75)55(85)65-38(9-2)54(84)71-51(34(6)76)59(89)67-40(21-18-35-16-19-37(93-7)20-17-35)61(91)73-25-10-13-43(73)56(86)68-41(28-36(77)29-47(79)46(78)27-32(3)4)52(82)60(90)66-39(22-23-48(63)80)53(83)64-30-49(81)72-24-12-15-45(72)62(92)74-26-11-14-44(74)57(87)70-50/h9,16-17,19-20,32-34,36,39-47,50-52,75-79,82H,8,10-15,18,21-31H2,1-7H3,(H2,63,80)(H,64,83)(H,65,85)(H,66,90)(H,67,89)(H,68,86)(H,69,88)(H,70,87)(H,71,84)/b38-9+/t33-,34+,36?,39+,40+,41?,42-,43-,44-,45-,46?,47?,50+,51-,52?/m0/s1
+CH$LINK: PUBCHEM CID:146683715
+CH$LINK: INCHIKEY ACFCYNJDAMJVRV-SFBMPHMPSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1361
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.086 min
+MS$FOCUSED_ION: BASE_PEAK 657.3521
+MS$FOCUSED_ION: PRECURSOR_M/Z 1313.6987
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03di-0019000000-2d6955d6390df26863b4
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  1295.6872 C62H95N12O18+ 1 1295.6882 -0.75
+  1313.6981 C62H97N12O19+ 1 1313.6987 -0.47
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  1295.6872 1741982.8 217
+  1313.6981 7989842.5 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC017302.txt b/Eawag/MSBNK-EAWAG-EC017302.txt
new file mode 100644
index 0000000000..1c304b0f9d
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC017302.txt
@@ -0,0 +1,46 @@
+ACCESSION: MSBNK-EAWAG-EC017302
+RECORD_TITLE: Portoamide C; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1073/pnas.0914343107
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 173
+CH$NAME: Portoamide C
+CH$NAME: 3-((6R,9S,15S,18R,20aS,25aS,34R,40aS,E)-18-((S)-sec-butyl)-12-ethylidene-37-hydroxy-9-((R)-1-hydroxyethyl)-15-(hydroxymethyl)-6-(4-methoxyphenethyl)-5,8,11,14,17,20,25,30,33,36,40-undecaoxo-38-(2,4,5-trihydroxy-7-methyloctyl)octatriacontahydro-1H,25H-tripyrrolo[1,2-b1:1`,2`-g:1``,2``-j][1,4,7,10,13,16,19,22,25,28,31]undecaazacyclotetratriacontin-34-yl)propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C62H96N12O19
+CH$EXACT_MASS: 1312.691469
+CH$SMILES: O=C([C@@H](CCC(N)=O)NC1=O)NCC(N2[C@@H](CCC2)C(N3[C@@H](CCC3)C(N[C@H]([C@@H](C)CC)C(N[C@@H](CO)C(N/C(C(N[C@@H]([C@@H](C)O)C(N[C@H](CCC4=CC=C(OC)C=C4)C(N5[C@@H](CCC5)C(NC(CC(O)CC(O)C(O)CC(C)C)C1O)=O)=O)=O)=O)=C/C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C62H96N12O19/c1-8-33(5)50-58(88)69-42(31-75)55(85)65-38(9-2)54(84)71-51(34(6)76)59(89)67-40(21-18-35-16-19-37(93-7)20-17-35)61(91)73-25-10-13-43(73)56(86)68-41(28-36(77)29-47(79)46(78)27-32(3)4)52(82)60(90)66-39(22-23-48(63)80)53(83)64-30-49(81)72-24-12-15-45(72)62(92)74-26-11-14-44(74)57(87)70-50/h9,16-17,19-20,32-34,36,39-47,50-52,75-79,82H,8,10-15,18,21-31H2,1-7H3,(H2,63,80)(H,64,83)(H,65,85)(H,66,90)(H,67,89)(H,68,86)(H,69,88)(H,70,87)(H,71,84)/b38-9+/t33-,34+,36?,39+,40+,41?,42-,43-,44-,45-,46?,47?,50+,51-,52?/m0/s1
+CH$LINK: PUBCHEM CID:146683715
+CH$LINK: INCHIKEY ACFCYNJDAMJVRV-SFBMPHMPSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1361
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.086 min
+MS$FOCUSED_ION: BASE_PEAK 657.3521
+MS$FOCUSED_ION: PRECURSOR_M/Z 1313.6987
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03dj-0009000000-4babdcb22ebccaa36a9e
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  395.2282 C4H37N5O15+ 10 395.2281 0.44
+  1313.6982 C62H97N12O19+ 1 1313.6987 -0.38
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  395.2282 2074694.5 796
+  1313.6982 2601307.8 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC017303.txt b/Eawag/MSBNK-EAWAG-EC017303.txt
new file mode 100644
index 0000000000..be329f4a90
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC017303.txt
@@ -0,0 +1,58 @@
+ACCESSION: MSBNK-EAWAG-EC017303
+RECORD_TITLE: Portoamide C; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1073/pnas.0914343107
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 173
+CH$NAME: Portoamide C
+CH$NAME: 3-((6R,9S,15S,18R,20aS,25aS,34R,40aS,E)-18-((S)-sec-butyl)-12-ethylidene-37-hydroxy-9-((R)-1-hydroxyethyl)-15-(hydroxymethyl)-6-(4-methoxyphenethyl)-5,8,11,14,17,20,25,30,33,36,40-undecaoxo-38-(2,4,5-trihydroxy-7-methyloctyl)octatriacontahydro-1H,25H-tripyrrolo[1,2-b1:1`,2`-g:1``,2``-j][1,4,7,10,13,16,19,22,25,28,31]undecaazacyclotetratriacontin-34-yl)propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C62H96N12O19
+CH$EXACT_MASS: 1312.691469
+CH$SMILES: O=C([C@@H](CCC(N)=O)NC1=O)NCC(N2[C@@H](CCC2)C(N3[C@@H](CCC3)C(N[C@H]([C@@H](C)CC)C(N[C@@H](CO)C(N/C(C(N[C@@H]([C@@H](C)O)C(N[C@H](CCC4=CC=C(OC)C=C4)C(N5[C@@H](CCC5)C(NC(CC(O)CC(O)C(O)CC(C)C)C1O)=O)=O)=O)=O)=C/C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C62H96N12O19/c1-8-33(5)50-58(88)69-42(31-75)55(85)65-38(9-2)54(84)71-51(34(6)76)59(89)67-40(21-18-35-16-19-37(93-7)20-17-35)61(91)73-25-10-13-43(73)56(86)68-41(28-36(77)29-47(79)46(78)27-32(3)4)52(82)60(90)66-39(22-23-48(63)80)53(83)64-30-49(81)72-24-12-15-45(72)62(92)74-26-11-14-44(74)57(87)70-50/h9,16-17,19-20,32-34,36,39-47,50-52,75-79,82H,8,10-15,18,21-31H2,1-7H3,(H2,63,80)(H,64,83)(H,65,85)(H,66,90)(H,67,89)(H,68,86)(H,69,88)(H,70,87)(H,71,84)/b38-9+/t33-,34+,36?,39+,40+,41?,42-,43-,44-,45-,46?,47?,50+,51-,52?/m0/s1
+CH$LINK: PUBCHEM CID:146683715
+CH$LINK: INCHIKEY ACFCYNJDAMJVRV-SFBMPHMPSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1361
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.086 min
+MS$FOCUSED_ION: BASE_PEAK 657.3521
+MS$FOCUSED_ION: PRECURSOR_M/Z 1313.6987
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00ks-0008910000-6cdde8b69843c6a3eb04
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  70.0651 C4H8N+ 1 70.0651 -0.52
+  313.2109 C14H27N5O3+ 6 313.2108 0.07
+  365.2179 C19H25N8+ 11 365.2197 -4.86
+  377.2176 C4H35N5O14+ 9 377.2175 0.18
+  395.2284 C4H37N5O15+ 12 395.2281 0.91
+  469.2659 C22H37N4O7+ 12 469.2657 0.49
+  487.2757 C7H45N5O18+ 15 487.2754 0.67
+  544.2976 C23H36N12O4+ 15 544.2977 -0.22
+PK$NUM_PEAK: 8
+PK$PEAK: m/z int. rel.int.
+  70.0651 397795.9 123
+  313.2109 614086.4 191
+  365.2179 276228.1 86
+  377.2176 924899.3 288
+  395.2284 3028427 944
+  469.2659 1769115.6 551
+  487.2757 3204838.2 999
+  544.2976 562639.5 175
+//
diff --git a/Eawag/MSBNK-EAWAG-EC017304.txt b/Eawag/MSBNK-EAWAG-EC017304.txt
new file mode 100644
index 0000000000..f900b23e45
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC017304.txt
@@ -0,0 +1,76 @@
+ACCESSION: MSBNK-EAWAG-EC017304
+RECORD_TITLE: Portoamide C; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1073/pnas.0914343107
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 173
+CH$NAME: Portoamide C
+CH$NAME: 3-((6R,9S,15S,18R,20aS,25aS,34R,40aS,E)-18-((S)-sec-butyl)-12-ethylidene-37-hydroxy-9-((R)-1-hydroxyethyl)-15-(hydroxymethyl)-6-(4-methoxyphenethyl)-5,8,11,14,17,20,25,30,33,36,40-undecaoxo-38-(2,4,5-trihydroxy-7-methyloctyl)octatriacontahydro-1H,25H-tripyrrolo[1,2-b1:1`,2`-g:1``,2``-j][1,4,7,10,13,16,19,22,25,28,31]undecaazacyclotetratriacontin-34-yl)propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C62H96N12O19
+CH$EXACT_MASS: 1312.691469
+CH$SMILES: O=C([C@@H](CCC(N)=O)NC1=O)NCC(N2[C@@H](CCC2)C(N3[C@@H](CCC3)C(N[C@H]([C@@H](C)CC)C(N[C@@H](CO)C(N/C(C(N[C@@H]([C@@H](C)O)C(N[C@H](CCC4=CC=C(OC)C=C4)C(N5[C@@H](CCC5)C(NC(CC(O)CC(O)C(O)CC(C)C)C1O)=O)=O)=O)=O)=C/C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C62H96N12O19/c1-8-33(5)50-58(88)69-42(31-75)55(85)65-38(9-2)54(84)71-51(34(6)76)59(89)67-40(21-18-35-16-19-37(93-7)20-17-35)61(91)73-25-10-13-43(73)56(86)68-41(28-36(77)29-47(79)46(78)27-32(3)4)52(82)60(90)66-39(22-23-48(63)80)53(83)64-30-49(81)72-24-12-15-45(72)62(92)74-26-11-14-44(74)57(87)70-50/h9,16-17,19-20,32-34,36,39-47,50-52,75-79,82H,8,10-15,18,21-31H2,1-7H3,(H2,63,80)(H,64,83)(H,65,85)(H,66,90)(H,67,89)(H,68,86)(H,69,88)(H,70,87)(H,71,84)/b38-9+/t33-,34+,36?,39+,40+,41?,42-,43-,44-,45-,46?,47?,50+,51-,52?/m0/s1
+CH$LINK: PUBCHEM CID:146683715
+CH$LINK: INCHIKEY ACFCYNJDAMJVRV-SFBMPHMPSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1361
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.086 min
+MS$FOCUSED_ION: BASE_PEAK 657.3521
+MS$FOCUSED_ION: PRECURSOR_M/Z 1313.6987
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00ts-2203900000-2dc64daa41071e1a6b16
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  70.0651 C4H8N+ 1 70.0651 -0.41
+  86.0966 C5H12N+ 1 86.0964 1.87
+  115.0864 C5H11N2O+ 1 115.0866 -1.61
+  121.065 C8H9O+ 1 121.0648 1.94
+  127.0866 C6H11N2O+ 1 127.0866 -0.03
+  155.0812 C7H11N2O2+ 1 155.0815 -2.25
+  164.1069 C10H14NO+ 1 164.107 -0.47
+  183.149 C10H19N2O+ 1 183.1492 -0.94
+  265.154 C14H21N2O3+ 4 265.1547 -2.63
+  308.1959 H26N11O8+ 7 308.196 -0.31
+  395.2286 C18H25N11+ 12 395.2289 -0.64
+  452.2496 C6H40N6O16+ 13 452.2495 0.12
+  460.2551 C22H28N12+ 13 460.2554 -0.67
+  469.2657 C22H37N4O7+ 13 469.2657 0.03
+  478.2657 C37H34+ 15 478.2655 0.34
+  487.2757 C7H45N5O18+ 15 487.2754 0.54
+  544.2975 C23H36N12O4+ 15 544.2977 -0.33
+PK$NUM_PEAK: 17
+PK$PEAK: m/z int. rel.int.
+  70.0651 2379434.8 536
+  86.0966 371627.1 83
+  115.0864 673422.3 151
+  121.065 408193 92
+  127.0866 381893.6 86
+  155.0812 752938.2 169
+  164.1069 534690.6 120
+  183.149 345394.6 77
+  265.154 317894.8 71
+  308.1959 1221633.5 275
+  395.2286 3205435.5 723
+  452.2496 828301.1 186
+  460.2551 1413499.9 318
+  469.2657 2465010.2 556
+  478.2657 3183293 718
+  487.2757 4427986 999
+  544.2975 937836.8 211
+//
diff --git a/Eawag/MSBNK-EAWAG-EC017305.txt b/Eawag/MSBNK-EAWAG-EC017305.txt
new file mode 100644
index 0000000000..8ae676b9b6
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC017305.txt
@@ -0,0 +1,112 @@
+ACCESSION: MSBNK-EAWAG-EC017305
+RECORD_TITLE: Portoamide C; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1073/pnas.0914343107
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 173
+CH$NAME: Portoamide C
+CH$NAME: 3-((6R,9S,15S,18R,20aS,25aS,34R,40aS,E)-18-((S)-sec-butyl)-12-ethylidene-37-hydroxy-9-((R)-1-hydroxyethyl)-15-(hydroxymethyl)-6-(4-methoxyphenethyl)-5,8,11,14,17,20,25,30,33,36,40-undecaoxo-38-(2,4,5-trihydroxy-7-methyloctyl)octatriacontahydro-1H,25H-tripyrrolo[1,2-b1:1`,2`-g:1``,2``-j][1,4,7,10,13,16,19,22,25,28,31]undecaazacyclotetratriacontin-34-yl)propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C62H96N12O19
+CH$EXACT_MASS: 1312.691469
+CH$SMILES: O=C([C@@H](CCC(N)=O)NC1=O)NCC(N2[C@@H](CCC2)C(N3[C@@H](CCC3)C(N[C@H]([C@@H](C)CC)C(N[C@@H](CO)C(N/C(C(N[C@@H]([C@@H](C)O)C(N[C@H](CCC4=CC=C(OC)C=C4)C(N5[C@@H](CCC5)C(NC(CC(O)CC(O)C(O)CC(C)C)C1O)=O)=O)=O)=O)=C/C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C62H96N12O19/c1-8-33(5)50-58(88)69-42(31-75)55(85)65-38(9-2)54(84)71-51(34(6)76)59(89)67-40(21-18-35-16-19-37(93-7)20-17-35)61(91)73-25-10-13-43(73)56(86)68-41(28-36(77)29-47(79)46(78)27-32(3)4)52(82)60(90)66-39(22-23-48(63)80)53(83)64-30-49(81)72-24-12-15-45(72)62(92)74-26-11-14-44(74)57(87)70-50/h9,16-17,19-20,32-34,36,39-47,50-52,75-79,82H,8,10-15,18,21-31H2,1-7H3,(H2,63,80)(H,64,83)(H,65,85)(H,66,90)(H,67,89)(H,68,86)(H,69,88)(H,70,87)(H,71,84)/b38-9+/t33-,34+,36?,39+,40+,41?,42-,43-,44-,45-,46?,47?,50+,51-,52?/m0/s1
+CH$LINK: PUBCHEM CID:146683715
+CH$LINK: INCHIKEY ACFCYNJDAMJVRV-SFBMPHMPSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1361
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.086 min
+MS$FOCUSED_ION: BASE_PEAK 657.3521
+MS$FOCUSED_ION: PRECURSOR_M/Z 1313.6987
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00di-7951000000-30e852dc380d0334b1d6
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  70.0651 C4H8N+ 1 70.0651 -0.41
+  74.0599 C3H8NO+ 1 74.06 -2.47
+  84.0444 C4H6NO+ 1 84.0444 -0.3
+  86.0964 C5H12N+ 1 86.0964 -0.52
+  98.0601 C5H8NO+ 1 98.06 0.46
+  101.0709 C4H9N2O+ 1 101.0709 -0.54
+  112.0753 C6H10NO+ 1 112.0757 -3.28
+  115.0864 C5H11N2O+ 1 115.0866 -1.61
+  121.0647 C8H9O+ 1 121.0648 -1.09
+  126.0547 C6H8NO2+ 1 126.055 -1.68
+  126.0911 C7H12NO+ 1 126.0913 -1.99
+  127.0865 C6H11N2O+ 1 127.0866 -0.99
+  153.1022 C8H13N2O+ 1 153.1022 -0.56
+  155.0813 C7H11N2O2+ 1 155.0815 -1.56
+  164.1067 C10H14NO+ 1 164.107 -1.58
+  167.1175 C9H15N2O+ 1 167.1179 -2.08
+  183.1489 C10H19N2O+ 1 183.1492 -1.77
+  186.1488 C10H20NO2+ 1 186.1489 -0.36
+  195.1127 C10H15N2O2+ 1 195.1128 -0.3
+  211.1436 C11H19N2O2+ 2 211.1441 -2.26
+  216.1373 C12H16N4+ 2 216.1369 1.65
+  216.1594 C11H22NO3+ 1 216.1594 -0.03
+  252.1335 C10H16N6O2+ 2 252.1329 2.43
+  265.1545 C14H21N2O3+ 4 265.1547 -0.67
+  270.1811 C11H22N6O2+ 3 270.1799 4.4
+  280.165 C12H20N6O2+ 4 280.1642 2.77
+  280.2019 C15H26N3O2+ 6 280.202 -0.2
+  295.2013 C2H29N7O9+ 6 295.2021 -2.7
+  298.1752 C12H22N6O3+ 4 298.1748 1.27
+  337.2225 CH29N12O8+ 9 337.2226 -0.12
+  340.2226 C2H36N4O14+ 8 340.2223 1.04
+  341.2067 C2H35N3O15+ 7 341.2063 1.32
+  372.2122 C2H36N4O16+ 8 372.2121 0.19
+  395.2287 C18H25N11+ 10 395.2289 -0.41
+  478.2657 C37H34+ 15 478.2655 0.34
+PK$NUM_PEAK: 35
+PK$PEAK: m/z int. rel.int.
+  70.0651 14103214 999
+  74.0599 245162.6 17
+  84.0444 251890.8 17
+  86.0964 2941276 208
+  98.0601 644007.8 45
+  101.0709 328328.1 23
+  112.0753 165470.5 11
+  115.0864 1798228.4 127
+  121.0647 3606359.8 255
+  126.0547 785706.9 55
+  126.0911 427810.2 30
+  127.0865 2915160.2 206
+  153.1022 316898 22
+  155.0813 2941621.2 208
+  164.1067 1625999.9 115
+  167.1175 803939.9 56
+  183.1489 3134406.2 222
+  186.1488 854338.8 60
+  195.1127 858023.2 60
+  211.1436 2233460 158
+  216.1373 714071.1 50
+  216.1594 1533533.4 108
+  252.1335 1440958.1 102
+  265.1545 1237639.4 87
+  270.1811 355732.7 25
+  280.165 783297.6 55
+  280.2019 1113517.4 78
+  295.2013 1037161.8 73
+  298.1752 1639107.8 116
+  337.2225 734844.8 52
+  340.2226 410630.4 29
+  341.2067 419342.6 29
+  372.2122 821920.7 58
+  395.2287 2104363.5 149
+  478.2657 1327587.9 94
+//
diff --git a/Eawag/MSBNK-EAWAG-EC017306.txt b/Eawag/MSBNK-EAWAG-EC017306.txt
new file mode 100644
index 0000000000..24a7cf89bc
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC017306.txt
@@ -0,0 +1,116 @@
+ACCESSION: MSBNK-EAWAG-EC017306
+RECORD_TITLE: Portoamide C; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1073/pnas.0914343107
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 173
+CH$NAME: Portoamide C
+CH$NAME: 3-((6R,9S,15S,18R,20aS,25aS,34R,40aS,E)-18-((S)-sec-butyl)-12-ethylidene-37-hydroxy-9-((R)-1-hydroxyethyl)-15-(hydroxymethyl)-6-(4-methoxyphenethyl)-5,8,11,14,17,20,25,30,33,36,40-undecaoxo-38-(2,4,5-trihydroxy-7-methyloctyl)octatriacontahydro-1H,25H-tripyrrolo[1,2-b1:1`,2`-g:1``,2``-j][1,4,7,10,13,16,19,22,25,28,31]undecaazacyclotetratriacontin-34-yl)propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C62H96N12O19
+CH$EXACT_MASS: 1312.691469
+CH$SMILES: O=C([C@@H](CCC(N)=O)NC1=O)NCC(N2[C@@H](CCC2)C(N3[C@@H](CCC3)C(N[C@H]([C@@H](C)CC)C(N[C@@H](CO)C(N/C(C(N[C@@H]([C@@H](C)O)C(N[C@H](CCC4=CC=C(OC)C=C4)C(N5[C@@H](CCC5)C(NC(CC(O)CC(O)C(O)CC(C)C)C1O)=O)=O)=O)=O)=C/C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C62H96N12O19/c1-8-33(5)50-58(88)69-42(31-75)55(85)65-38(9-2)54(84)71-51(34(6)76)59(89)67-40(21-18-35-16-19-37(93-7)20-17-35)61(91)73-25-10-13-43(73)56(86)68-41(28-36(77)29-47(79)46(78)27-32(3)4)52(82)60(90)66-39(22-23-48(63)80)53(83)64-30-49(81)72-24-12-15-45(72)62(92)74-26-11-14-44(74)57(87)70-50/h9,16-17,19-20,32-34,36,39-47,50-52,75-79,82H,8,10-15,18,21-31H2,1-7H3,(H2,63,80)(H,64,83)(H,65,85)(H,66,90)(H,67,89)(H,68,86)(H,69,88)(H,70,87)(H,71,84)/b38-9+/t33-,34+,36?,39+,40+,41?,42-,43-,44-,45-,46?,47?,50+,51-,52?/m0/s1
+CH$LINK: PUBCHEM CID:146683715
+CH$LINK: INCHIKEY ACFCYNJDAMJVRV-SFBMPHMPSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1361
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.086 min
+MS$FOCUSED_ION: BASE_PEAK 657.3521
+MS$FOCUSED_ION: PRECURSOR_M/Z 1313.6987
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00di-9810000000-65d234304461173b5c73
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  70.0651 C4H8N+ 1 70.0651 -0.84
+  81.0698 C6H9+ 1 81.0699 -0.49
+  84.0442 C4H6NO+ 1 84.0444 -1.94
+  84.0805 C5H10N+ 1 84.0808 -2.76
+  86.0963 C5H12N+ 1 86.0964 -1.14
+  98.0599 C5H8NO+ 1 98.06 -1.49
+  99.0803 C6H11O+ 1 99.0804 -1.87
+  101.0709 C4H9N2O+ 1 101.0709 -0.77
+  112.0757 C6H10NO+ 1 112.0757 0.05
+  115.0865 C5H11N2O+ 1 115.0866 -0.48
+  116.0706 C5H10NO2+ 1 116.0706 -0.36
+  121.0646 C8H9O+ 1 121.0648 -1.46
+  125.0961 C8H13O+ 1 125.0961 0.34
+  126.0547 C6H8NO2+ 1 126.055 -1.86
+  126.091 C7H12NO+ 1 126.0913 -2.96
+  127.0864 C6H11N2O+ 1 127.0866 -1.35
+  138.1275 C9H16N+ 1 138.1277 -1.84
+  139.0864 C7H11N2O+ 1 139.0866 -1.3
+  143.1065 C8H15O2+ 1 143.1067 -1.12
+  155.0812 C7H11N2O2+ 1 155.0815 -1.66
+  164.1066 C10H14NO+ 1 164.107 -2.42
+  167.1177 C9H15N2O+ 1 167.1179 -0.89
+  168.0762 C7H10N3O2+ 2 168.0768 -2.99
+  171.0765 C7H11N2O3+ 1 171.0764 0.47
+  183.1488 C10H19N2O+ 1 183.1492 -1.86
+  186.1482 C10H20NO2+ 2 186.1489 -3.64
+  187.071 C7H11N2O4+ 1 187.0713 -1.65
+  195.1123 C10H15N2O2+ 2 195.1128 -2.33
+  211.1436 C11H19N2O2+ 2 211.1441 -2.26
+  216.1372 C12H16N4+ 1 216.1369 1.15
+  216.1594 C11H22NO3+ 1 216.1594 -0.03
+  252.1336 C10H16N6O2+ 2 252.1329 2.55
+  266.1128 C10H14N6O3+ 2 266.1122 2.41
+  280.1647 C12H20N6O2+ 4 280.1642 1.69
+  280.2017 C15H26N3O2+ 5 280.202 -0.85
+  295.2009 C2H29N7O9+ 6 295.2021 -4.15
+  313.211 C14H27N5O3+ 6 313.2108 0.66
+PK$NUM_PEAK: 37
+PK$PEAK: m/z int. rel.int.
+  70.0651 34314416 999
+  81.0698 767581.6 22
+  84.0442 1237749 36
+  84.0805 583652.9 16
+  86.0963 4587196 133
+  98.0599 1924951.2 56
+  99.0803 1106748.4 32
+  101.0709 598520.4 17
+  112.0757 431205.7 12
+  115.0865 1814394.9 52
+  116.0706 665602.6 19
+  121.0646 9718334 282
+  125.0961 668125.8 19
+  126.0547 1382675.6 40
+  126.091 811963.9 23
+  127.0864 5265481.5 153
+  138.1275 372486.3 10
+  139.0864 384629.2 11
+  143.1065 1726131.5 50
+  155.0812 4067846.8 118
+  164.1066 1058503 30
+  167.1177 1260596.2 36
+  168.0762 386367 11
+  171.0765 636804.4 18
+  183.1488 6830094.5 198
+  186.1482 1199380.1 34
+  187.071 432161.8 12
+  195.1123 1055489.9 30
+  211.1436 2045328.9 59
+  216.1372 1349087.9 39
+  216.1594 2293175.5 66
+  252.1336 731817.4 21
+  266.1128 1114984.5 32
+  280.1647 598387.2 17
+  280.2017 428099.8 12
+  295.2009 748825.5 21
+  313.211 3500939.8 101
+//
diff --git a/Eawag/MSBNK-EAWAG-EC017307.txt b/Eawag/MSBNK-EAWAG-EC017307.txt
new file mode 100644
index 0000000000..a10a0e57db
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC017307.txt
@@ -0,0 +1,92 @@
+ACCESSION: MSBNK-EAWAG-EC017307
+RECORD_TITLE: Portoamide C; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1073/pnas.0914343107
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 173
+CH$NAME: Portoamide C
+CH$NAME: 3-((6R,9S,15S,18R,20aS,25aS,34R,40aS,E)-18-((S)-sec-butyl)-12-ethylidene-37-hydroxy-9-((R)-1-hydroxyethyl)-15-(hydroxymethyl)-6-(4-methoxyphenethyl)-5,8,11,14,17,20,25,30,33,36,40-undecaoxo-38-(2,4,5-trihydroxy-7-methyloctyl)octatriacontahydro-1H,25H-tripyrrolo[1,2-b1:1`,2`-g:1``,2``-j][1,4,7,10,13,16,19,22,25,28,31]undecaazacyclotetratriacontin-34-yl)propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C62H96N12O19
+CH$EXACT_MASS: 1312.691469
+CH$SMILES: O=C([C@@H](CCC(N)=O)NC1=O)NCC(N2[C@@H](CCC2)C(N3[C@@H](CCC3)C(N[C@H]([C@@H](C)CC)C(N[C@@H](CO)C(N/C(C(N[C@@H]([C@@H](C)O)C(N[C@H](CCC4=CC=C(OC)C=C4)C(N5[C@@H](CCC5)C(NC(CC(O)CC(O)C(O)CC(C)C)C1O)=O)=O)=O)=O)=C/C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C62H96N12O19/c1-8-33(5)50-58(88)69-42(31-75)55(85)65-38(9-2)54(84)71-51(34(6)76)59(89)67-40(21-18-35-16-19-37(93-7)20-17-35)61(91)73-25-10-13-43(73)56(86)68-41(28-36(77)29-47(79)46(78)27-32(3)4)52(82)60(90)66-39(22-23-48(63)80)53(83)64-30-49(81)72-24-12-15-45(72)62(92)74-26-11-14-44(74)57(87)70-50/h9,16-17,19-20,32-34,36,39-47,50-52,75-79,82H,8,10-15,18,21-31H2,1-7H3,(H2,63,80)(H,64,83)(H,65,85)(H,66,90)(H,67,89)(H,68,86)(H,69,88)(H,70,87)(H,71,84)/b38-9+/t33-,34+,36?,39+,40+,41?,42-,43-,44-,45-,46?,47?,50+,51-,52?/m0/s1
+CH$LINK: PUBCHEM CID:146683715
+CH$LINK: INCHIKEY ACFCYNJDAMJVRV-SFBMPHMPSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1361
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.086 min
+MS$FOCUSED_ION: BASE_PEAK 657.3521
+MS$FOCUSED_ION: PRECURSOR_M/Z 1313.6987
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00di-9400000000-ff0a23760213df8cd39c
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  69.0698 C5H9+ 1 69.0699 -1.21
+  70.0651 C4H8N+ 1 70.0651 -0.41
+  74.06 C3H8NO+ 1 74.06 -0.31
+  81.0698 C6H9+ 1 81.0699 -0.59
+  84.0444 C4H6NO+ 1 84.0444 -0.21
+  84.0808 C5H10N+ 1 84.0808 0.32
+  86.0964 C5H12N+ 1 86.0964 -0.34
+  87.0439 C4H7O2+ 1 87.0441 -1.87
+  98.06 C5H8NO+ 1 98.06 -0.86
+  99.0805 C6H11O+ 1 99.0804 0.21
+  107.0855 C8H11+ 1 107.0855 -0.69
+  115.0865 C5H11N2O+ 1 115.0866 -1.15
+  121.0646 C8H9O+ 1 121.0648 -1.21
+  125.096 C8H13O+ 1 125.0961 -1
+  126.0548 C6H8NO2+ 1 126.055 -1.5
+  126.0911 C7H12NO+ 1 126.0913 -1.87
+  127.0864 C6H11N2O+ 1 127.0866 -1.23
+  143.1065 C8H15O2+ 1 143.1067 -1.22
+  150.1274 C10H16N+ 1 150.1277 -2.41
+  155.0812 C7H11N2O2+ 1 155.0815 -1.95
+  167.1177 C9H15N2O+ 1 167.1179 -1.34
+  183.1489 C10H19N2O+ 1 183.1492 -1.52
+  186.1483 C10H20NO2+ 2 186.1489 -2.74
+  216.1374 C12H16N4+ 2 216.1369 2.28
+  216.1598 C11H22NO3+ 1 216.1594 1.67
+PK$NUM_PEAK: 25
+PK$PEAK: m/z int. rel.int.
+  69.0698 519495 11
+  70.0651 45870596 999
+  74.06 656047.3 14
+  81.0698 1594594 34
+  84.0444 2517044 54
+  84.0808 533950.4 11
+  86.0964 4822513 105
+  87.0439 789387.6 17
+  98.06 2987508 65
+  99.0805 1376816.1 29
+  107.0855 687203.1 14
+  115.0865 1048676.5 22
+  121.0646 10844700 236
+  125.096 825595.9 17
+  126.0548 1208047.5 26
+  126.0911 727992.6 15
+  127.0864 4961942 108
+  143.1065 1903144 41
+  150.1274 564492.4 12
+  155.0812 2260570.5 49
+  167.1177 685188.6 14
+  183.1489 4022785 87
+  186.1483 731404.5 15
+  216.1374 917530.9 19
+  216.1598 1319196.4 28
+//
diff --git a/Eawag/MSBNK-EAWAG-EC017308.txt b/Eawag/MSBNK-EAWAG-EC017308.txt
new file mode 100644
index 0000000000..531829ac05
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC017308.txt
@@ -0,0 +1,80 @@
+ACCESSION: MSBNK-EAWAG-EC017308
+RECORD_TITLE: Portoamide C; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1073/pnas.0914343107
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 173
+CH$NAME: Portoamide C
+CH$NAME: 3-((6R,9S,15S,18R,20aS,25aS,34R,40aS,E)-18-((S)-sec-butyl)-12-ethylidene-37-hydroxy-9-((R)-1-hydroxyethyl)-15-(hydroxymethyl)-6-(4-methoxyphenethyl)-5,8,11,14,17,20,25,30,33,36,40-undecaoxo-38-(2,4,5-trihydroxy-7-methyloctyl)octatriacontahydro-1H,25H-tripyrrolo[1,2-b1:1`,2`-g:1``,2``-j][1,4,7,10,13,16,19,22,25,28,31]undecaazacyclotetratriacontin-34-yl)propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C62H96N12O19
+CH$EXACT_MASS: 1312.691469
+CH$SMILES: O=C([C@@H](CCC(N)=O)NC1=O)NCC(N2[C@@H](CCC2)C(N3[C@@H](CCC3)C(N[C@H]([C@@H](C)CC)C(N[C@@H](CO)C(N/C(C(N[C@@H]([C@@H](C)O)C(N[C@H](CCC4=CC=C(OC)C=C4)C(N5[C@@H](CCC5)C(NC(CC(O)CC(O)C(O)CC(C)C)C1O)=O)=O)=O)=O)=C/C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C62H96N12O19/c1-8-33(5)50-58(88)69-42(31-75)55(85)65-38(9-2)54(84)71-51(34(6)76)59(89)67-40(21-18-35-16-19-37(93-7)20-17-35)61(91)73-25-10-13-43(73)56(86)68-41(28-36(77)29-47(79)46(78)27-32(3)4)52(82)60(90)66-39(22-23-48(63)80)53(83)64-30-49(81)72-24-12-15-45(72)62(92)74-26-11-14-44(74)57(87)70-50/h9,16-17,19-20,32-34,36,39-47,50-52,75-79,82H,8,10-15,18,21-31H2,1-7H3,(H2,63,80)(H,64,83)(H,65,85)(H,66,90)(H,67,89)(H,68,86)(H,69,88)(H,70,87)(H,71,84)/b38-9+/t33-,34+,36?,39+,40+,41?,42-,43-,44-,45-,46?,47?,50+,51-,52?/m0/s1
+CH$LINK: PUBCHEM CID:146683715
+CH$LINK: INCHIKEY ACFCYNJDAMJVRV-SFBMPHMPSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1361
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.086 min
+MS$FOCUSED_ION: BASE_PEAK 657.3521
+MS$FOCUSED_ION: PRECURSOR_M/Z 1313.6987
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00di-9200000000-434182fc0f740f813dd3
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  60.0443 C2H6NO+ 1 60.0444 -2.18
+  69.0698 C5H9+ 1 69.0699 -0.76
+  70.0651 C4H8N+ 1 70.0651 -0.74
+  79.0542 C6H7+ 1 79.0542 -0.18
+  81.0698 C6H9+ 1 81.0699 -1.43
+  84.0443 C4H6NO+ 1 84.0444 -1.3
+  86.0963 C5H12N+ 1 86.0964 -0.96
+  87.0439 C4H7O2+ 1 87.0441 -1.96
+  98.0599 C5H8NO+ 1 98.06 -0.94
+  99.0804 C6H11O+ 1 99.0804 -0.17
+  107.0852 C8H11+ 1 107.0855 -2.62
+  121.0646 C8H9O+ 1 121.0648 -1.34
+  125.0961 C8H13O+ 1 125.0961 0.34
+  126.0546 C6H8NO2+ 1 126.055 -2.83
+  126.091 C7H12NO+ 1 126.0913 -3.02
+  127.0864 C6H11N2O+ 1 127.0866 -1.11
+  143.1061 C8H15O2+ 1 143.1067 -3.89
+  155.0814 C7H11N2O2+ 1 155.0815 -0.67
+  183.149 C10H19N2O+ 1 183.1492 -0.77
+PK$NUM_PEAK: 19
+PK$PEAK: m/z int. rel.int.
+  60.0443 767929.9 14
+  69.0698 977888.1 17
+  70.0651 54423924 999
+  79.0542 770274.6 14
+  81.0698 2345747.8 43
+  84.0443 3682592.8 67
+  86.0963 4253075 78
+  87.0439 813187.8 14
+  98.0599 3012905 55
+  99.0804 1535213.4 28
+  107.0852 833367 15
+  121.0646 12351632 226
+  125.0961 668593 12
+  126.0546 837220.8 15
+  126.091 601432.8 11
+  127.0864 3630231.2 66
+  143.1061 1028076.5 18
+  155.0814 1014564.4 18
+  183.149 1910967.9 35
+//
diff --git a/Eawag/MSBNK-EAWAG-EC017309.txt b/Eawag/MSBNK-EAWAG-EC017309.txt
new file mode 100644
index 0000000000..41946df48a
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC017309.txt
@@ -0,0 +1,72 @@
+ACCESSION: MSBNK-EAWAG-EC017309
+RECORD_TITLE: Portoamide C; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1073/pnas.0914343107
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 173
+CH$NAME: Portoamide C
+CH$NAME: 3-((6R,9S,15S,18R,20aS,25aS,34R,40aS,E)-18-((S)-sec-butyl)-12-ethylidene-37-hydroxy-9-((R)-1-hydroxyethyl)-15-(hydroxymethyl)-6-(4-methoxyphenethyl)-5,8,11,14,17,20,25,30,33,36,40-undecaoxo-38-(2,4,5-trihydroxy-7-methyloctyl)octatriacontahydro-1H,25H-tripyrrolo[1,2-b1:1`,2`-g:1``,2``-j][1,4,7,10,13,16,19,22,25,28,31]undecaazacyclotetratriacontin-34-yl)propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C62H96N12O19
+CH$EXACT_MASS: 1312.691469
+CH$SMILES: O=C([C@@H](CCC(N)=O)NC1=O)NCC(N2[C@@H](CCC2)C(N3[C@@H](CCC3)C(N[C@H]([C@@H](C)CC)C(N[C@@H](CO)C(N/C(C(N[C@@H]([C@@H](C)O)C(N[C@H](CCC4=CC=C(OC)C=C4)C(N5[C@@H](CCC5)C(NC(CC(O)CC(O)C(O)CC(C)C)C1O)=O)=O)=O)=O)=C/C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C62H96N12O19/c1-8-33(5)50-58(88)69-42(31-75)55(85)65-38(9-2)54(84)71-51(34(6)76)59(89)67-40(21-18-35-16-19-37(93-7)20-17-35)61(91)73-25-10-13-43(73)56(86)68-41(28-36(77)29-47(79)46(78)27-32(3)4)52(82)60(90)66-39(22-23-48(63)80)53(83)64-30-49(81)72-24-12-15-45(72)62(92)74-26-11-14-44(74)57(87)70-50/h9,16-17,19-20,32-34,36,39-47,50-52,75-79,82H,8,10-15,18,21-31H2,1-7H3,(H2,63,80)(H,64,83)(H,65,85)(H,66,90)(H,67,89)(H,68,86)(H,69,88)(H,70,87)(H,71,84)/b38-9+/t33-,34+,36?,39+,40+,41?,42-,43-,44-,45-,46?,47?,50+,51-,52?/m0/s1
+CH$LINK: PUBCHEM CID:146683715
+CH$LINK: INCHIKEY ACFCYNJDAMJVRV-SFBMPHMPSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1361
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.086 min
+MS$FOCUSED_ION: BASE_PEAK 657.3521
+MS$FOCUSED_ION: PRECURSOR_M/Z 1313.6987
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00di-9100000000-c1ffccdd4f121981887b
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  60.0443 C2H6NO+ 1 60.0444 -1.74
+  69.0698 C5H9+ 1 69.0699 -1.1
+  70.0651 C4H8N+ 1 70.0651 -0.84
+  79.0541 C6H7+ 1 79.0542 -1.53
+  81.0698 C6H9+ 1 81.0699 -0.59
+  84.0443 C4H6NO+ 1 84.0444 -1.03
+  84.0806 C5H10N+ 1 84.0808 -2.13
+  86.0964 C5H12N+ 1 86.0964 -0.78
+  87.0441 C4H7O2+ 1 87.0441 0.06
+  98.06 C5H8NO+ 1 98.06 -0.09
+  99.0804 C6H11O+ 1 99.0804 -0.56
+  107.0853 C8H11+ 1 107.0855 -2.54
+  121.0646 C8H9O+ 1 121.0648 -1.53
+  126.055 C6H8NO2+ 1 126.055 0.44
+  127.0864 C6H11N2O+ 1 127.0866 -1.47
+PK$NUM_PEAK: 15
+PK$PEAK: m/z int. rel.int.
+  60.0443 715374.8 11
+  69.0698 951663.1 15
+  70.0651 60829844 999
+  79.0541 915475.8 15
+  81.0698 2788055.2 45
+  84.0443 4818401 79
+  84.0806 615437.9 10
+  86.0964 3631438.2 59
+  87.0441 631842.4 10
+  98.06 3207521.2 52
+  99.0804 1323591.6 21
+  107.0853 897646.4 14
+  121.0646 13101079 215
+  126.055 720250.6 11
+  127.0864 2271108.2 37
+//
diff --git a/Eawag/MSBNK-EAWAG-EC017351.txt b/Eawag/MSBNK-EAWAG-EC017351.txt
new file mode 100644
index 0000000000..32857a0b17
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC017351.txt
@@ -0,0 +1,52 @@
+ACCESSION: MSBNK-EAWAG-EC017351
+RECORD_TITLE: Portoamide C; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1073/pnas.0914343107
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 173
+CH$NAME: Portoamide C
+CH$NAME: 3-((6R,9S,15S,18R,20aS,25aS,34R,40aS,E)-18-((S)-sec-butyl)-12-ethylidene-37-hydroxy-9-((R)-1-hydroxyethyl)-15-(hydroxymethyl)-6-(4-methoxyphenethyl)-5,8,11,14,17,20,25,30,33,36,40-undecaoxo-38-(2,4,5-trihydroxy-7-methyloctyl)octatriacontahydro-1H,25H-tripyrrolo[1,2-b1:1`,2`-g:1``,2``-j][1,4,7,10,13,16,19,22,25,28,31]undecaazacyclotetratriacontin-34-yl)propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C62H96N12O19
+CH$EXACT_MASS: 1312.691469
+CH$SMILES: O=C([C@@H](CCC(N)=O)NC1=O)NCC(N2[C@@H](CCC2)C(N3[C@@H](CCC3)C(N[C@H]([C@@H](C)CC)C(N[C@@H](CO)C(N/C(C(N[C@@H]([C@@H](C)O)C(N[C@H](CCC4=CC=C(OC)C=C4)C(N5[C@@H](CCC5)C(NC(CC(O)CC(O)C(O)CC(C)C)C1O)=O)=O)=O)=O)=C/C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C62H96N12O19/c1-8-33(5)50-58(88)69-42(31-75)55(85)65-38(9-2)54(84)71-51(34(6)76)59(89)67-40(21-18-35-16-19-37(93-7)20-17-35)61(91)73-25-10-13-43(73)56(86)68-41(28-36(77)29-47(79)46(78)27-32(3)4)52(82)60(90)66-39(22-23-48(63)80)53(83)64-30-49(81)72-24-12-15-45(72)62(92)74-26-11-14-44(74)57(87)70-50/h9,16-17,19-20,32-34,36,39-47,50-52,75-79,82H,8,10-15,18,21-31H2,1-7H3,(H2,63,80)(H,64,83)(H,65,85)(H,66,90)(H,67,89)(H,68,86)(H,69,88)(H,70,87)(H,71,84)/b38-9+/t33-,34+,36?,39+,40+,41?,42-,43-,44-,45-,46?,47?,50+,51-,52?/m0/s1
+CH$LINK: PUBCHEM CID:146683715
+CH$LINK: INCHIKEY ACFCYNJDAMJVRV-SFBMPHMPSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1359
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.125 min
+MS$FOCUSED_ION: BASE_PEAK 1357.6912
+MS$FOCUSED_ION: PRECURSOR_M/Z 1311.6842
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-014i-0092000000-269712c94441f8d12dca
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  1237.6488 C61H91N9O18- 2 1237.6488 0.04
+  1249.6493 C62H91N9O18- 2 1249.6488 0.45
+  1267.6592 C62H93N9O19- 2 1267.6593 -0.06
+  1268.6545 C61H92N10O19- 1 1268.6546 -0.07
+  1311.6857 C62H95N12O19- 1 1311.6842 1.15
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  1237.6488 661344.9 214
+  1249.6493 289505.7 93
+  1267.6592 3079443.8 999
+  1268.6545 273657.3 88
+  1311.6857 1065781 345
+//
diff --git a/Eawag/MSBNK-EAWAG-EC017352.txt b/Eawag/MSBNK-EAWAG-EC017352.txt
new file mode 100644
index 0000000000..d80f8cfa46
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC017352.txt
@@ -0,0 +1,50 @@
+ACCESSION: MSBNK-EAWAG-EC017352
+RECORD_TITLE: Portoamide C; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1073/pnas.0914343107
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 173
+CH$NAME: Portoamide C
+CH$NAME: 3-((6R,9S,15S,18R,20aS,25aS,34R,40aS,E)-18-((S)-sec-butyl)-12-ethylidene-37-hydroxy-9-((R)-1-hydroxyethyl)-15-(hydroxymethyl)-6-(4-methoxyphenethyl)-5,8,11,14,17,20,25,30,33,36,40-undecaoxo-38-(2,4,5-trihydroxy-7-methyloctyl)octatriacontahydro-1H,25H-tripyrrolo[1,2-b1:1`,2`-g:1``,2``-j][1,4,7,10,13,16,19,22,25,28,31]undecaazacyclotetratriacontin-34-yl)propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C62H96N12O19
+CH$EXACT_MASS: 1312.691469
+CH$SMILES: O=C([C@@H](CCC(N)=O)NC1=O)NCC(N2[C@@H](CCC2)C(N3[C@@H](CCC3)C(N[C@H]([C@@H](C)CC)C(N[C@@H](CO)C(N/C(C(N[C@@H]([C@@H](C)O)C(N[C@H](CCC4=CC=C(OC)C=C4)C(N5[C@@H](CCC5)C(NC(CC(O)CC(O)C(O)CC(C)C)C1O)=O)=O)=O)=O)=C/C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C62H96N12O19/c1-8-33(5)50-58(88)69-42(31-75)55(85)65-38(9-2)54(84)71-51(34(6)76)59(89)67-40(21-18-35-16-19-37(93-7)20-17-35)61(91)73-25-10-13-43(73)56(86)68-41(28-36(77)29-47(79)46(78)27-32(3)4)52(82)60(90)66-39(22-23-48(63)80)53(83)64-30-49(81)72-24-12-15-45(72)62(92)74-26-11-14-44(74)57(87)70-50/h9,16-17,19-20,32-34,36,39-47,50-52,75-79,82H,8,10-15,18,21-31H2,1-7H3,(H2,63,80)(H,64,83)(H,65,85)(H,66,90)(H,67,89)(H,68,86)(H,69,88)(H,70,87)(H,71,84)/b38-9+/t33-,34+,36?,39+,40+,41?,42-,43-,44-,45-,46?,47?,50+,51-,52?/m0/s1
+CH$LINK: PUBCHEM CID:146683715
+CH$LINK: INCHIKEY ACFCYNJDAMJVRV-SFBMPHMPSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1359
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.125 min
+MS$FOCUSED_ION: BASE_PEAK 1357.6912
+MS$FOCUSED_ION: PRECURSOR_M/Z 1311.6842
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-014r-0090000000-c7e7c6754e1d39640e04
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  1219.6383 C61H89N9O17- 3 1219.6382 0.06
+  1237.6483 C61H91N9O18- 2 1237.6488 -0.36
+  1249.6488 C62H91N9O18- 2 1249.6488 0.06
+  1267.6592 C62H93N9O19- 2 1267.6593 -0.06
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  1219.6383 975918.5 398
+  1237.6483 2446740 999
+  1249.6488 932095.5 380
+  1267.6592 1618162.4 660
+//
diff --git a/Eawag/MSBNK-EAWAG-EC017353.txt b/Eawag/MSBNK-EAWAG-EC017353.txt
new file mode 100644
index 0000000000..2d8aed72b4
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC017353.txt
@@ -0,0 +1,52 @@
+ACCESSION: MSBNK-EAWAG-EC017353
+RECORD_TITLE: Portoamide C; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1073/pnas.0914343107
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 173
+CH$NAME: Portoamide C
+CH$NAME: 3-((6R,9S,15S,18R,20aS,25aS,34R,40aS,E)-18-((S)-sec-butyl)-12-ethylidene-37-hydroxy-9-((R)-1-hydroxyethyl)-15-(hydroxymethyl)-6-(4-methoxyphenethyl)-5,8,11,14,17,20,25,30,33,36,40-undecaoxo-38-(2,4,5-trihydroxy-7-methyloctyl)octatriacontahydro-1H,25H-tripyrrolo[1,2-b1:1`,2`-g:1``,2``-j][1,4,7,10,13,16,19,22,25,28,31]undecaazacyclotetratriacontin-34-yl)propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C62H96N12O19
+CH$EXACT_MASS: 1312.691469
+CH$SMILES: O=C([C@@H](CCC(N)=O)NC1=O)NCC(N2[C@@H](CCC2)C(N3[C@@H](CCC3)C(N[C@H]([C@@H](C)CC)C(N[C@@H](CO)C(N/C(C(N[C@@H]([C@@H](C)O)C(N[C@H](CCC4=CC=C(OC)C=C4)C(N5[C@@H](CCC5)C(NC(CC(O)CC(O)C(O)CC(C)C)C1O)=O)=O)=O)=O)=C/C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C62H96N12O19/c1-8-33(5)50-58(88)69-42(31-75)55(85)65-38(9-2)54(84)71-51(34(6)76)59(89)67-40(21-18-35-16-19-37(93-7)20-17-35)61(91)73-25-10-13-43(73)56(86)68-41(28-36(77)29-47(79)46(78)27-32(3)4)52(82)60(90)66-39(22-23-48(63)80)53(83)64-30-49(81)72-24-12-15-45(72)62(92)74-26-11-14-44(74)57(87)70-50/h9,16-17,19-20,32-34,36,39-47,50-52,75-79,82H,8,10-15,18,21-31H2,1-7H3,(H2,63,80)(H,64,83)(H,65,85)(H,66,90)(H,67,89)(H,68,86)(H,69,88)(H,70,87)(H,71,84)/b38-9+/t33-,34+,36?,39+,40+,41?,42-,43-,44-,45-,46?,47?,50+,51-,52?/m0/s1
+CH$LINK: PUBCHEM CID:146683715
+CH$LINK: INCHIKEY ACFCYNJDAMJVRV-SFBMPHMPSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1359
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.125 min
+MS$FOCUSED_ION: BASE_PEAK 1357.6912
+MS$FOCUSED_ION: PRECURSOR_M/Z 1311.6842
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0f79-0090020601-88be3794d73b14397587
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  128.0353 C5H6NO3- 1 128.0353 0.24
+  525.2565 C23H31N11O4- 15 525.2566 -0.22
+  752.4202 C36H54N11O7- 21 752.4213 -1.43
+  949.5015 C42H73N6O18- 23 949.4987 3.01
+  1237.6494 C61H91N9O18- 2 1237.6488 0.53
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  128.0353 48162 52
+  525.2565 242102.4 261
+  752.4202 641645.1 693
+  949.5015 149792.4 161
+  1237.6494 924186.6 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC017354.txt b/Eawag/MSBNK-EAWAG-EC017354.txt
new file mode 100644
index 0000000000..5f3e78ff34
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC017354.txt
@@ -0,0 +1,62 @@
+ACCESSION: MSBNK-EAWAG-EC017354
+RECORD_TITLE: Portoamide C; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1073/pnas.0914343107
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 173
+CH$NAME: Portoamide C
+CH$NAME: 3-((6R,9S,15S,18R,20aS,25aS,34R,40aS,E)-18-((S)-sec-butyl)-12-ethylidene-37-hydroxy-9-((R)-1-hydroxyethyl)-15-(hydroxymethyl)-6-(4-methoxyphenethyl)-5,8,11,14,17,20,25,30,33,36,40-undecaoxo-38-(2,4,5-trihydroxy-7-methyloctyl)octatriacontahydro-1H,25H-tripyrrolo[1,2-b1:1`,2`-g:1``,2``-j][1,4,7,10,13,16,19,22,25,28,31]undecaazacyclotetratriacontin-34-yl)propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C62H96N12O19
+CH$EXACT_MASS: 1312.691469
+CH$SMILES: O=C([C@@H](CCC(N)=O)NC1=O)NCC(N2[C@@H](CCC2)C(N3[C@@H](CCC3)C(N[C@H]([C@@H](C)CC)C(N[C@@H](CO)C(N/C(C(N[C@@H]([C@@H](C)O)C(N[C@H](CCC4=CC=C(OC)C=C4)C(N5[C@@H](CCC5)C(NC(CC(O)CC(O)C(O)CC(C)C)C1O)=O)=O)=O)=O)=C/C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C62H96N12O19/c1-8-33(5)50-58(88)69-42(31-75)55(85)65-38(9-2)54(84)71-51(34(6)76)59(89)67-40(21-18-35-16-19-37(93-7)20-17-35)61(91)73-25-10-13-43(73)56(86)68-41(28-36(77)29-47(79)46(78)27-32(3)4)52(82)60(90)66-39(22-23-48(63)80)53(83)64-30-49(81)72-24-12-15-45(72)62(92)74-26-11-14-44(74)57(87)70-50/h9,16-17,19-20,32-34,36,39-47,50-52,75-79,82H,8,10-15,18,21-31H2,1-7H3,(H2,63,80)(H,64,83)(H,65,85)(H,66,90)(H,67,89)(H,68,86)(H,69,88)(H,70,87)(H,71,84)/b38-9+/t33-,34+,36?,39+,40+,41?,42-,43-,44-,45-,46?,47?,50+,51-,52?/m0/s1
+CH$LINK: PUBCHEM CID:146683715
+CH$LINK: INCHIKEY ACFCYNJDAMJVRV-SFBMPHMPSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1359
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.125 min
+MS$FOCUSED_ION: BASE_PEAK 1357.6912
+MS$FOCUSED_ION: PRECURSOR_M/Z 1311.6842
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0fb9-0340283900-443dd62c0f99d394c47e
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  127.0513 C5H7N2O2- 1 127.0513 -0.37
+  128.0351 C5H6NO3- 1 128.0353 -1.43
+  155.0458 C6H7N2O3- 1 155.0462 -2.54
+  226.1557 C11H20N3O2- 2 226.1561 -1.68
+  281.1246 C12H17N4O4- 3 281.1255 -3.21
+  409.172 C2H25N12O12- 12 409.172 -0.01
+  525.2564 C23H31N11O4- 15 525.2566 -0.34
+  636.3361 C30H42N11O5- 18 636.3376 -2.27
+  717.3831 C31H49N12O8- 20 717.3802 4.02
+  752.4205 C36H54N11O7- 22 752.4213 -1.03
+PK$NUM_PEAK: 10
+PK$PEAK: m/z int. rel.int.
+  127.0513 156971.1 157
+  128.0351 175927 176
+  155.0458 115978.7 116
+  226.1557 333354.1 334
+  281.1246 207118.2 207
+  409.172 247821.8 248
+  525.2564 995113.2 999
+  636.3361 367115.7 368
+  717.3831 96896.2 97
+  752.4205 975495.6 979
+//
diff --git a/Eawag/MSBNK-EAWAG-EC017355.txt b/Eawag/MSBNK-EAWAG-EC017355.txt
new file mode 100644
index 0000000000..e0c0544fdf
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC017355.txt
@@ -0,0 +1,164 @@
+ACCESSION: MSBNK-EAWAG-EC017355
+RECORD_TITLE: Portoamide C; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1073/pnas.0914343107
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 173
+CH$NAME: Portoamide C
+CH$NAME: 3-((6R,9S,15S,18R,20aS,25aS,34R,40aS,E)-18-((S)-sec-butyl)-12-ethylidene-37-hydroxy-9-((R)-1-hydroxyethyl)-15-(hydroxymethyl)-6-(4-methoxyphenethyl)-5,8,11,14,17,20,25,30,33,36,40-undecaoxo-38-(2,4,5-trihydroxy-7-methyloctyl)octatriacontahydro-1H,25H-tripyrrolo[1,2-b1:1`,2`-g:1``,2``-j][1,4,7,10,13,16,19,22,25,28,31]undecaazacyclotetratriacontin-34-yl)propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C62H96N12O19
+CH$EXACT_MASS: 1312.691469
+CH$SMILES: O=C([C@@H](CCC(N)=O)NC1=O)NCC(N2[C@@H](CCC2)C(N3[C@@H](CCC3)C(N[C@H]([C@@H](C)CC)C(N[C@@H](CO)C(N/C(C(N[C@@H]([C@@H](C)O)C(N[C@H](CCC4=CC=C(OC)C=C4)C(N5[C@@H](CCC5)C(NC(CC(O)CC(O)C(O)CC(C)C)C1O)=O)=O)=O)=O)=C/C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C62H96N12O19/c1-8-33(5)50-58(88)69-42(31-75)55(85)65-38(9-2)54(84)71-51(34(6)76)59(89)67-40(21-18-35-16-19-37(93-7)20-17-35)61(91)73-25-10-13-43(73)56(86)68-41(28-36(77)29-47(79)46(78)27-32(3)4)52(82)60(90)66-39(22-23-48(63)80)53(83)64-30-49(81)72-24-12-15-45(72)62(92)74-26-11-14-44(74)57(87)70-50/h9,16-17,19-20,32-34,36,39-47,50-52,75-79,82H,8,10-15,18,21-31H2,1-7H3,(H2,63,80)(H,64,83)(H,65,85)(H,66,90)(H,67,89)(H,68,86)(H,69,88)(H,70,87)(H,71,84)/b38-9+/t33-,34+,36?,39+,40+,41?,42-,43-,44-,45-,46?,47?,50+,51-,52?/m0/s1
+CH$LINK: PUBCHEM CID:146683715
+CH$LINK: INCHIKEY ACFCYNJDAMJVRV-SFBMPHMPSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1359
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.125 min
+MS$FOCUSED_ION: BASE_PEAK 1357.6912
+MS$FOCUSED_ION: PRECURSOR_M/Z 1311.6842
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-004i-0941010000-8a1e6769dd64f42f69fd
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  82.0299 C4H4NO- 1 82.0298 0.26
+  84.0091 C3H2NO2- 1 84.0091 0
+  98.0248 C4H4NO2- 1 98.0248 0.37
+  99.0199 C3H3N2O2- 1 99.02 -0.89
+  99.0451 C5H7O2- 1 99.0452 -0.72
+  99.0564 C4H7N2O- 1 99.0564 -0.21
+  100.0404 C4H6NO2- 1 100.0404 -0.12
+  109.0408 C5H5N2O- 1 109.0407 0.25
+  111.0563 C5H7N2O- 1 111.0564 -0.82
+  113.0357 C4H5N2O2- 1 113.0357 0.16
+  113.072 C5H9N2O- 1 113.072 -0.05
+  114.0562 C5H8NO2- 1 114.0561 0.94
+  115.0765 C6H11O2- 1 115.0765 0.05
+  121.0407 C6H5N2O- 1 121.0407 -0.68
+  123.0562 C6H7N2O- 1 123.0564 -1.3
+  124.0402 C6H6NO2- 1 124.0404 -1.25
+  125.0357 C5H5N2O2- 1 125.0357 0.11
+  125.0719 C6H9N2O- 1 125.072 -1.48
+  126.0195 C5H4NO3- 1 126.0197 -1.02
+  127.0512 C5H7N2O2- 1 127.0513 -0.43
+  128.0352 C5H6NO3- 1 128.0353 -0.83
+  139.0512 C6H7N2O2- 1 139.0513 -1.01
+  140.083 C6H10N3O- 1 140.0829 0.53
+  141.0669 C6H9N2O2- 1 141.067 -0.03
+  144.0663 C6H10NO3- 1 144.0666 -2.36
+  145.0617 C5H9N2O3- 1 145.0619 -1.33
+  151.0512 C7H7N2O2- 1 151.0513 -0.9
+  153.0667 C7H9N2O2- 1 153.067 -1.71
+  155.046 C6H7N2O3- 1 155.0462 -1.66
+  156.0775 C6H10N3O2- 1 156.0779 -2.14
+  163.051 C8H7N2O2- 1 163.0513 -1.86
+  165.0664 C8H9N2O2- 2 165.067 -3.49
+  167.0458 C7H7N2O3- 1 167.0462 -2.38
+  167.0824 C8H11N2O2- 1 167.0826 -1.25
+  169.098 C8H13N2O2- 1 169.0983 -1.67
+  170.0929 C7H12N3O2- 2 170.0935 -3.66
+  178.0617 C8H8N3O2- 2 178.0622 -2.77
+  179.0461 C8H7N2O3- 1 179.0462 -0.7
+  184.0726 C7H10N3O3- 1 184.0728 -0.83
+  185.0564 C7H9N2O4- 2 185.0568 -2.29
+  211.072 C7H9N5O3- 2 211.0711 4.3
+  226.1556 C11H20N3O2- 2 226.1561 -2.08
+  230.0815 C11H10N4O2- 2 230.0809 2.56
+  243.1235 C11H13N7- 3 243.1238 -1.32
+  250.119 C10H14N6O2- 2 250.1184 2.36
+  264.0988 C12H14N3O4- 2 264.099 -0.86
+  281.1251 C12H17N4O4- 3 281.1255 -1.69
+  283.1763 C12H27O7- 3 283.1762 0.33
+  291.109 C12H19O8- 4 291.1085 1.73
+  304.1671 C2H24N8O9- 8 304.1672 -0.08
+  309.1197 C12H21O9- 5 309.1191 2.05
+  319.2147 C17H27N4O2- 5 319.2139 2.5
+  323.2083 CH33N5O13- 7 323.208 0.92
+  326.1488 CH24N7O12- 8 326.1488 -0.17
+  330.1448 C17H20N3O4- 8 330.1459 -3.47
+  361.1882 C18H25N4O4- 10 361.1881 0.18
+  398.2285 C3H32N11O11- 10 398.2288 -0.76
+  409.172 C2H25N12O12- 12 409.172 -0.09
+  481.2663 C22H41O11- 15 481.2654 1.85
+  524.2725 C9H44N6O18- 15 524.2718 1.36
+  525.2565 C23H31N11O4- 15 525.2566 -0.1
+PK$NUM_PEAK: 61
+PK$PEAK: m/z int. rel.int.
+  82.0299 82569.9 37
+  84.0091 89318.6 40
+  98.0248 93600.3 42
+  99.0199 108105.9 48
+  99.0451 63634 28
+  99.0564 123853.1 55
+  100.0404 102095.2 46
+  109.0408 89157.6 40
+  111.0563 350728.8 158
+  113.0357 74181.1 33
+  113.072 487849.2 220
+  114.0562 105062 47
+  115.0765 140538.2 63
+  121.0407 230532 104
+  123.0562 164471.3 74
+  124.0402 76194.3 34
+  125.0357 152239.5 68
+  125.0719 33584.4 15
+  126.0195 107820.6 48
+  127.0512 1388253.6 626
+  128.0352 362923.6 163
+  139.0512 468331.7 211
+  140.083 83975.2 37
+  141.0669 79780.4 35
+  144.0663 141325.2 63
+  145.0617 119505.2 53
+  151.0512 100419.9 45
+  153.0667 1116552 503
+  155.046 427102.9 192
+  156.0775 207738.4 93
+  163.051 121053.1 54
+  165.0664 71254.3 32
+  167.0458 314683.2 141
+  167.0824 47006.2 21
+  169.098 314202.6 141
+  170.0929 128851.2 58
+  178.0617 196828 88
+  179.0461 120428 54
+  184.0726 139048.4 62
+  185.0564 75700 34
+  211.072 133045.1 60
+  226.1556 2213968.5 999
+  230.0815 121216.5 54
+  243.1235 96886.2 43
+  250.119 88736.6 40
+  264.0988 316442.3 142
+  281.1251 823631.2 371
+  283.1763 285127.5 128
+  291.109 300173.6 135
+  304.1671 167246.7 75
+  309.1197 747583.2 337
+  319.2147 122281.7 55
+  323.2083 223378.8 100
+  326.1488 158063.4 71
+  330.1448 114515.1 51
+  361.1882 91078.9 41
+  398.2285 119035.3 53
+  409.172 353464.8 159
+  481.2663 120483.2 54
+  524.2725 187666.7 84
+  525.2565 874430.9 394
+//
diff --git a/Eawag/MSBNK-EAWAG-EC017356.txt b/Eawag/MSBNK-EAWAG-EC017356.txt
new file mode 100644
index 0000000000..e0a190724c
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC017356.txt
@@ -0,0 +1,212 @@
+ACCESSION: MSBNK-EAWAG-EC017356
+RECORD_TITLE: Portoamide C; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1073/pnas.0914343107
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 173
+CH$NAME: Portoamide C
+CH$NAME: 3-((6R,9S,15S,18R,20aS,25aS,34R,40aS,E)-18-((S)-sec-butyl)-12-ethylidene-37-hydroxy-9-((R)-1-hydroxyethyl)-15-(hydroxymethyl)-6-(4-methoxyphenethyl)-5,8,11,14,17,20,25,30,33,36,40-undecaoxo-38-(2,4,5-trihydroxy-7-methyloctyl)octatriacontahydro-1H,25H-tripyrrolo[1,2-b1:1`,2`-g:1``,2``-j][1,4,7,10,13,16,19,22,25,28,31]undecaazacyclotetratriacontin-34-yl)propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C62H96N12O19
+CH$EXACT_MASS: 1312.691469
+CH$SMILES: O=C([C@@H](CCC(N)=O)NC1=O)NCC(N2[C@@H](CCC2)C(N3[C@@H](CCC3)C(N[C@H]([C@@H](C)CC)C(N[C@@H](CO)C(N/C(C(N[C@@H]([C@@H](C)O)C(N[C@H](CCC4=CC=C(OC)C=C4)C(N5[C@@H](CCC5)C(NC(CC(O)CC(O)C(O)CC(C)C)C1O)=O)=O)=O)=O)=C/C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C62H96N12O19/c1-8-33(5)50-58(88)69-42(31-75)55(85)65-38(9-2)54(84)71-51(34(6)76)59(89)67-40(21-18-35-16-19-37(93-7)20-17-35)61(91)73-25-10-13-43(73)56(86)68-41(28-36(77)29-47(79)46(78)27-32(3)4)52(82)60(90)66-39(22-23-48(63)80)53(83)64-30-49(81)72-24-12-15-45(72)62(92)74-26-11-14-44(74)57(87)70-50/h9,16-17,19-20,32-34,36,39-47,50-52,75-79,82H,8,10-15,18,21-31H2,1-7H3,(H2,63,80)(H,64,83)(H,65,85)(H,66,90)(H,67,89)(H,68,86)(H,69,88)(H,70,87)(H,71,84)/b38-9+/t33-,34+,36?,39+,40+,41?,42-,43-,44-,45-,46?,47?,50+,51-,52?/m0/s1
+CH$LINK: PUBCHEM CID:146683715
+CH$LINK: INCHIKEY ACFCYNJDAMJVRV-SFBMPHMPSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1359
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.125 min
+MS$FOCUSED_ION: BASE_PEAK 1357.6912
+MS$FOCUSED_ION: PRECURSOR_M/Z 1311.6842
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0fb9-1930000000-6aedd2698c087985d9ec
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  72.0091 C2H2NO2- 1 72.0091 -0.19
+  73.0408 C2H5N2O- 1 73.0407 0.26
+  74.0248 C2H4NO2- 1 74.0248 0.56
+  82.0299 C4H4NO- 1 82.0298 0.16
+  83.0251 C3H3N2O- 1 83.0251 -0.17
+  84.0091 C3H2NO2- 1 84.0091 -0.45
+  85.0407 C3H5N2O- 1 85.0407 -0.25
+  96.0457 C5H6NO- 1 96.0455 2.02
+  97.0406 C4H5N2O- 1 97.0407 -1.04
+  98.0248 C4H4NO2- 1 98.0248 0.06
+  99.0199 C3H3N2O2- 1 99.02 -0.97
+  99.0452 C5H7O2- 1 99.0452 0.21
+  99.0564 C4H7N2O- 1 99.0564 -0.21
+  100.0404 C4H6NO2- 1 100.0404 -0.19
+  101.0356 C3H5N2O2- 1 101.0357 -0.52
+  109.0406 C5H5N2O- 1 109.0407 -0.8
+  110.0613 C6H8NO- 1 110.0611 1.42
+  111.0563 C5H7N2O- 1 111.0564 -0.68
+  112.0403 C5H6NO2- 1 112.0404 -1.09
+  113.0359 C4H5N2O2- 1 113.0357 2.39
+  113.072 C5H9N2O- 1 113.072 -0.32
+  114.056 C5H8NO2- 1 114.0561 -0.19
+  115.0765 C6H11O2- 1 115.0765 0.58
+  121.0407 C6H5N2O- 1 121.0407 -0.18
+  123.0563 C6H7N2O- 1 123.0564 -0.43
+  124.0402 C6H6NO2- 1 124.0404 -1.25
+  124.0769 C7H10NO- 1 124.0768 1.2
+  125.0356 C5H5N2O2- 1 125.0357 -0.38
+  125.0719 C6H9N2O- 1 125.072 -1.24
+  126.0196 C5H4NO3- 1 126.0197 -0.9
+  127.0513 C5H7N2O2- 1 127.0513 -0.37
+  128.0352 C5H6NO3- 1 128.0353 -0.6
+  129.0919 C7H13O2- 1 129.0921 -1.66
+  129.1033 C6H13N2O- 1 129.1033 -0.03
+  130.0624 C4H8N3O2- 1 130.0622 1.9
+  138.0673 C6H8N3O- 1 138.0673 0.44
+  139.0512 C6H7N2O2- 1 139.0513 -0.79
+  140.035 C6H6NO3- 1 140.0353 -2.33
+  140.0829 C6H10N3O- 1 140.0829 -0.02
+  141.0668 C6H9N2O2- 1 141.067 -0.89
+  143.1191 C7H15N2O- 1 143.119 0.77
+  144.0663 C6H10NO3- 1 144.0666 -2.25
+  145.0618 C5H9N2O3- 1 145.0619 -0.27
+  149.0719 C8H9N2O- 1 149.072 -1.16
+  151.051 C7H7N2O2- 1 151.0513 -1.91
+  151.0876 C8H11N2O- 1 151.0877 -0.46
+  153.0667 C7H9N2O2- 1 153.067 -1.61
+  155.046 C6H7N2O3- 1 155.0462 -1.17
+  155.0822 C7H11N2O2- 1 155.0826 -2.9
+  156.0777 C6H10N3O2- 1 156.0779 -1.16
+  163.0509 C8H7N2O2- 1 163.0513 -2.32
+  165.0668 C8H9N2O2- 1 165.067 -1.09
+  167.0457 C7H7N2O3- 2 167.0462 -3.2
+  167.0821 C8H11N2O2- 1 167.0826 -2.89
+  168.0782 C7H10N3O2- 1 168.0779 1.83
+  169.098 C8H13N2O2- 1 169.0983 -1.31
+  170.093 C7H12N3O2- 1 170.0935 -2.76
+  178.0619 C8H8N3O2- 1 178.0622 -1.91
+  179.0461 C8H7N2O3- 1 179.0462 -0.87
+  181.1349 C10H17N2O- 1 181.1346 1.37
+  183.1499 C10H19N2O- 2 183.1503 -2.34
+  184.073 C7H10N3O3- 1 184.0728 1.25
+  204.0773 C10H10N3O2- 2 204.0779 -2.55
+  207.1134 C9H13N5O- 2 207.1126 4.28
+  208.1449 C11H18N3O- 2 208.1455 -3.1
+  209.1041 C9H13N4O2- 3 209.1044 -1.56
+  209.1293 C11H17N2O2- 1 209.1296 -1.3
+  210.0876 C9H12N3O3- 2 210.0884 -3.7
+  226.1556 C11H20N3O2- 2 226.1561 -2.08
+  238.0827 C10H12N3O4- 2 238.0833 -2.49
+  240.171 C10H20N6O- 2 240.1704 2.62
+  245.0924 C11H11N5O2- 2 245.0918 2.18
+  247.1081 C13H15N2O3- 3 247.1088 -2.71
+  250.1191 C10H14N6O2- 2 250.1184 3.03
+  252.1352 C12H18N3O3- 2 252.1354 -0.55
+  263.1142 C11H19O7- 3 263.1136 2.16
+  264.0989 C12H14N3O4- 2 264.099 -0.4
+  281.125 C12H17N4O4- 3 281.1255 -1.8
+  283.1768 C12H27O7- 4 283.1762 2.16
+  287.1397 CH25N3O13- 6 287.1393 1.41
+  291.1099 C12H19O8- 6 291.1085 4.66
+  309.1197 C12H21O9- 5 309.1191 2.05
+  323.2082 CH33N5O13- 8 323.208 0.54
+  326.1488 CH24N7O12- 8 326.1488 -0.17
+  348.2036 C2H32N6O13- 8 348.2033 0.85
+PK$NUM_PEAK: 85
+PK$PEAK: m/z int. rel.int.
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+  309.1197 330767.4 134
+  323.2082 196266.2 80
+  326.1488 71737.3 29
+  348.2036 82049.3 33
+//
diff --git a/Eawag/MSBNK-EAWAG-EC017357.txt b/Eawag/MSBNK-EAWAG-EC017357.txt
new file mode 100644
index 0000000000..12fafe9a77
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC017357.txt
@@ -0,0 +1,192 @@
+ACCESSION: MSBNK-EAWAG-EC017357
+RECORD_TITLE: Portoamide C; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1073/pnas.0914343107
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 173
+CH$NAME: Portoamide C
+CH$NAME: 3-((6R,9S,15S,18R,20aS,25aS,34R,40aS,E)-18-((S)-sec-butyl)-12-ethylidene-37-hydroxy-9-((R)-1-hydroxyethyl)-15-(hydroxymethyl)-6-(4-methoxyphenethyl)-5,8,11,14,17,20,25,30,33,36,40-undecaoxo-38-(2,4,5-trihydroxy-7-methyloctyl)octatriacontahydro-1H,25H-tripyrrolo[1,2-b1:1`,2`-g:1``,2``-j][1,4,7,10,13,16,19,22,25,28,31]undecaazacyclotetratriacontin-34-yl)propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C62H96N12O19
+CH$EXACT_MASS: 1312.691469
+CH$SMILES: O=C([C@@H](CCC(N)=O)NC1=O)NCC(N2[C@@H](CCC2)C(N3[C@@H](CCC3)C(N[C@H]([C@@H](C)CC)C(N[C@@H](CO)C(N/C(C(N[C@@H]([C@@H](C)O)C(N[C@H](CCC4=CC=C(OC)C=C4)C(N5[C@@H](CCC5)C(NC(CC(O)CC(O)C(O)CC(C)C)C1O)=O)=O)=O)=O)=C/C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C62H96N12O19/c1-8-33(5)50-58(88)69-42(31-75)55(85)65-38(9-2)54(84)71-51(34(6)76)59(89)67-40(21-18-35-16-19-37(93-7)20-17-35)61(91)73-25-10-13-43(73)56(86)68-41(28-36(77)29-47(79)46(78)27-32(3)4)52(82)60(90)66-39(22-23-48(63)80)53(83)64-30-49(81)72-24-12-15-45(72)62(92)74-26-11-14-44(74)57(87)70-50/h9,16-17,19-20,32-34,36,39-47,50-52,75-79,82H,8,10-15,18,21-31H2,1-7H3,(H2,63,80)(H,64,83)(H,65,85)(H,66,90)(H,67,89)(H,68,86)(H,69,88)(H,70,87)(H,71,84)/b38-9+/t33-,34+,36?,39+,40+,41?,42-,43-,44-,45-,46?,47?,50+,51-,52?/m0/s1
+CH$LINK: PUBCHEM CID:146683715
+CH$LINK: INCHIKEY ACFCYNJDAMJVRV-SFBMPHMPSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1359
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.125 min
+MS$FOCUSED_ION: BASE_PEAK 1357.6912
+MS$FOCUSED_ION: PRECURSOR_M/Z 1311.6842
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0h00-1910000000-1288bea71c518652b6e6
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  66.0348 C4H4N- 1 66.0349 -1.63
+  70.0297 C3H4NO- 1 70.0298 -1.55
+  73.0407 C2H5N2O- 1 73.0407 -0.68
+  74.0247 C2H4NO2- 1 74.0248 -0.58
+  81.0344 C5H5O- 1 81.0346 -2.34
+  82.0298 C4H4NO- 1 82.0298 -0.21
+  82.0661 C5H8N- 1 82.0662 -0.97
+  83.0251 C3H3N2O- 1 83.0251 0.2
+  84.009 C3H2NO2- 1 84.0091 -0.73
+  84.0455 C4H6NO- 1 84.0455 -0.29
+  85.0659 C5H9O- 1 85.0659 0.22
+  96.0452 C5H6NO- 1 96.0455 -3.14
+  97.0406 C4H5N2O- 1 97.0407 -1.28
+  98.0246 C4H4NO2- 1 98.0248 -1.11
+  99.0199 C3H3N2O2- 1 99.02 -1.2
+  99.0563 C4H7N2O- 1 99.0564 -1.06
+  100.0404 C4H6NO2- 1 100.0404 -0.35
+  106.0424 C7H6O- 1 106.0424 -0.23
+  109.0406 C5H5N2O- 1 109.0407 -1.01
+  110.0248 C5H4NO2- 1 110.0248 0.52
+  111.0562 C5H7N2O- 1 111.0564 -1.44
+  112.0403 C5H6NO2- 1 112.0404 -1.23
+  113.0357 C4H5N2O2- 1 113.0357 0.5
+  113.0719 C5H9N2O- 1 113.072 -0.93
+  114.0559 C5H8NO2- 1 114.0561 -0.93
+  115.0764 C6H11O2- 1 115.0765 -0.88
+  121.0407 C6H5N2O- 1 121.0407 -0.68
+  123.0563 C6H7N2O- 1 123.0564 -0.99
+  124.0279 C5H4N2O2- 1 124.0278 0.74
+  124.0402 C6H6NO2- 1 124.0404 -1.99
+  125.0356 C5H5N2O2- 1 125.0357 -0.68
+  125.0717 C6H9N2O- 1 125.072 -2.89
+  126.0561 C6H8NO2- 1 126.0561 0.61
+  127.0512 C5H7N2O2- 1 127.0513 -1.09
+  128.035 C5H6NO3- 1 128.0353 -2.14
+  129.0919 C7H13O2- 1 129.0921 -1.9
+  129.1033 C6H13N2O- 1 129.1033 -0.5
+  130.0622 C4H8N3O2- 1 130.0622 -0.33
+  135.0561 C7H7N2O- 1 135.0564 -1.8
+  136.113 C9H14N- 1 136.1132 -1.35
+  137.0719 C7H9N2O- 1 137.072 -0.75
+  138.0556 C7H8NO2- 1 138.0561 -3.3
+  138.0672 C6H8N3O- 1 138.0673 -0.45
+  139.0511 C6H7N2O2- 1 139.0513 -1.45
+  139.0871 C7H11N2O- 1 139.0877 -3.93
+  140.0829 C6H10N3O- 1 140.0829 -0.56
+  141.0666 C6H9N2O2- 1 141.067 -2.62
+  143.1187 C7H15N2O- 1 143.119 -2.11
+  149.0715 C8H9N2O- 1 149.072 -3.82
+  151.0511 C7H7N2O2- 1 151.0513 -1.41
+  151.0876 C8H11N2O- 1 151.0877 -0.56
+  152.0831 C7H10N3O- 1 152.0829 1.41
+  153.0666 C7H9N2O2- 1 153.067 -2.21
+  155.0823 C7H11N2O2- 1 155.0826 -1.81
+  163.0511 C8H7N2O2- 1 163.0513 -1.01
+  165.0665 C8H9N2O2- 1 165.067 -2.66
+  167.0455 C7H7N2O3- 2 167.0462 -4.12
+  169.0982 C8H13N2O2- 1 169.0983 -0.59
+  170.0929 C7H12N3O2- 2 170.0935 -3.48
+  178.0616 C8H8N3O2- 2 178.0622 -3.11
+  179.0456 C8H7N2O3- 2 179.0462 -3.59
+  181.134 C10H17N2O- 2 181.1346 -3.69
+  184.0728 C7H10N3O3- 1 184.0728 -0.08
+  186.0917 C10H10N4- 2 186.0911 3.05
+  191.1184 C11H15N2O- 2 191.119 -2.88
+  208.1446 C11H18N3O- 2 208.1455 -4.49
+  209.1034 C9H13N4O2- 3 209.1044 -4.63
+  209.1291 C11H17N2O2- 2 209.1296 -2.39
+  210.0879 C9H12N3O3- 2 210.0884 -2.25
+  224.1395 C11H18N3O2- 2 224.1405 -4.23
+  226.1555 C11H20N3O2- 2 226.1561 -2.76
+  229.0981 C13H13N2O2- 2 229.0983 -0.66
+  240.171 C10H20N6O- 2 240.1704 2.43
+  281.1245 C12H17N4O4- 3 281.1255 -3.75
+  287.1394 CH25N3O13- 6 287.1393 0.35
+PK$NUM_PEAK: 75
+PK$PEAK: m/z int. rel.int.
+  66.0348 57931.9 20
+  70.0297 55850.5 19
+  73.0407 396579.4 140
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+  169.0982 467442.1 166
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+  181.134 268871 95
+  184.0728 76561.3 27
+  186.0917 44914.1 15
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+  209.1034 102931.6 36
+  209.1291 271634.3 96
+  210.0879 171608.5 61
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+  229.0981 44722.3 15
+  240.171 94139.2 33
+  281.1245 271108.9 96
+  287.1394 86003.9 30
+//
diff --git a/Eawag/MSBNK-EAWAG-EC017358.txt b/Eawag/MSBNK-EAWAG-EC017358.txt
new file mode 100644
index 0000000000..e9bb3821b3
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC017358.txt
@@ -0,0 +1,174 @@
+ACCESSION: MSBNK-EAWAG-EC017358
+RECORD_TITLE: Portoamide C; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1073/pnas.0914343107
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 173
+CH$NAME: Portoamide C
+CH$NAME: 3-((6R,9S,15S,18R,20aS,25aS,34R,40aS,E)-18-((S)-sec-butyl)-12-ethylidene-37-hydroxy-9-((R)-1-hydroxyethyl)-15-(hydroxymethyl)-6-(4-methoxyphenethyl)-5,8,11,14,17,20,25,30,33,36,40-undecaoxo-38-(2,4,5-trihydroxy-7-methyloctyl)octatriacontahydro-1H,25H-tripyrrolo[1,2-b1:1`,2`-g:1``,2``-j][1,4,7,10,13,16,19,22,25,28,31]undecaazacyclotetratriacontin-34-yl)propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C62H96N12O19
+CH$EXACT_MASS: 1312.691469
+CH$SMILES: O=C([C@@H](CCC(N)=O)NC1=O)NCC(N2[C@@H](CCC2)C(N3[C@@H](CCC3)C(N[C@H]([C@@H](C)CC)C(N[C@@H](CO)C(N/C(C(N[C@@H]([C@@H](C)O)C(N[C@H](CCC4=CC=C(OC)C=C4)C(N5[C@@H](CCC5)C(NC(CC(O)CC(O)C(O)CC(C)C)C1O)=O)=O)=O)=O)=C/C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C62H96N12O19/c1-8-33(5)50-58(88)69-42(31-75)55(85)65-38(9-2)54(84)71-51(34(6)76)59(89)67-40(21-18-35-16-19-37(93-7)20-17-35)61(91)73-25-10-13-43(73)56(86)68-41(28-36(77)29-47(79)46(78)27-32(3)4)52(82)60(90)66-39(22-23-48(63)80)53(83)64-30-49(81)72-24-12-15-45(72)62(92)74-26-11-14-44(74)57(87)70-50/h9,16-17,19-20,32-34,36,39-47,50-52,75-79,82H,8,10-15,18,21-31H2,1-7H3,(H2,63,80)(H,64,83)(H,65,85)(H,66,90)(H,67,89)(H,68,86)(H,69,88)(H,70,87)(H,71,84)/b38-9+/t33-,34+,36?,39+,40+,41?,42-,43-,44-,45-,46?,47?,50+,51-,52?/m0/s1
+CH$LINK: PUBCHEM CID:146683715
+CH$LINK: INCHIKEY ACFCYNJDAMJVRV-SFBMPHMPSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1359
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.125 min
+MS$FOCUSED_ION: BASE_PEAK 1357.6912
+MS$FOCUSED_ION: PRECURSOR_M/Z 1311.6842
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0w4i-2900000000-e100cfd90eba684a67d2
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  66.0349 C4H4N- 1 66.0349 -0.25
+  70.03 C3H4NO- 1 70.0298 2.16
+  73.0407 C2H5N2O- 1 73.0407 0.05
+  74.0248 C2H4NO2- 1 74.0248 0.25
+  82.0299 C4H4NO- 1 82.0298 0.16
+  82.0662 C5H8N- 1 82.0662 -0.5
+  83.025 C3H3N2O- 1 83.0251 -0.44
+  84.0091 C3H2NO2- 1 84.0091 0.27
+  84.0456 C4H6NO- 1 84.0455 1.53
+  85.0408 C3H5N2O- 1 85.0407 0.29
+  85.0658 C5H9O- 1 85.0659 -0.86
+  95.0249 C4H3N2O- 1 95.0251 -1.87
+  96.0455 C5H6NO- 1 96.0455 -0.04
+  97.0042 C3HN2O2- 1 97.0044 -1.82
+  97.0407 C4H5N2O- 1 97.0407 -0.41
+  98.0247 C4H4NO2- 1 98.0248 -1.03
+  98.061 C5H8NO- 1 98.0611 -1.67
+  99.02 C3H3N2O2- 1 99.02 -0.2
+  99.0563 C4H7N2O- 1 99.0564 -0.67
+  100.0403 C4H6NO2- 1 100.0404 -0.88
+  106.0423 C7H6O- 1 106.0424 -0.8
+  109.0407 C5H5N2O- 1 109.0407 -0.1
+  110.0248 C5H4NO2- 1 110.0248 0.52
+  111.0202 C4H3N2O2- 1 111.02 1.46
+  111.0563 C5H7N2O- 1 111.0564 -0.48
+  112.0403 C5H6NO2- 1 112.0404 -1.3
+  113.0358 C4H5N2O2- 1 113.0357 1.11
+  113.072 C5H9N2O- 1 113.072 -0.18
+  114.0562 C5H8NO2- 1 114.0561 0.88
+  119.0501 C8H7O- 1 119.0502 -0.98
+  121.0407 C6H5N2O- 1 121.0407 -0.05
+  123.0564 C6H7N2O- 1 123.0564 0
+  124.0278 C5H4N2O2- 1 124.0278 -0.12
+  124.0403 C6H6NO2- 1 124.0404 -0.51
+  125.0356 C5H5N2O2- 1 125.0357 -0.32
+  125.0719 C6H9N2O- 1 125.072 -0.81
+  126.0559 C6H8NO2- 1 126.0561 -1.15
+  127.0512 C5H7N2O2- 1 127.0513 -0.73
+  128.0353 C5H6NO3- 1 128.0353 0.12
+  129.1032 C6H13N2O- 1 129.1033 -0.98
+  130.0621 C4H8N3O2- 1 130.0622 -1.03
+  135.0199 C6H3N2O2- 1 135.02 -0.94
+  135.0563 C7H7N2O- 1 135.0564 -0.44
+  138.0557 C7H8NO2- 1 138.0561 -2.75
+  138.0673 C6H8N3O- 1 138.0673 -0.23
+  139.0512 C6H7N2O2- 1 139.0513 -0.9
+  139.0875 C7H11N2O- 1 139.0877 -1.19
+  140.0828 C6H10N3O- 1 140.0829 -1.32
+  141.0669 C6H9N2O2- 1 141.067 -0.46
+  151.051 C7H7N2O2- 1 151.0513 -2.01
+  152.0831 C7H10N3O- 1 152.0829 1.31
+  153.0667 C7H9N2O2- 1 153.067 -1.51
+  155.0823 C7H11N2O2- 1 155.0826 -2.21
+  160.0761 C10H10NO- 2 160.0768 -4.2
+  163.0516 C8H7N2O2- 1 163.0513 2.07
+  165.0667 C8H9N2O2- 1 165.067 -1.64
+  169.0987 C8H13N2O2- 1 169.0983 2.75
+  170.0928 C7H12N3O2- 2 170.0935 -4.38
+  176.0459 C6H4N6O- 2 176.0452 4.09
+  178.0616 C8H8N3O2- 2 178.0622 -3.2
+  179.0458 C8H7N2O3- 1 179.0462 -2.49
+  181.1342 C10H17N2O- 1 181.1346 -2.26
+  209.1293 C11H17N2O2- 1 209.1296 -1.08
+  210.0877 C9H12N3O3- 2 210.0884 -3.41
+  226.1555 C11H20N3O2- 2 226.1561 -2.62
+  264.0986 C12H14N3O4- 2 264.099 -1.33
+PK$NUM_PEAK: 66
+PK$PEAK: m/z int. rel.int.
+  66.0349 72193.6 32
+  70.03 75744.8 33
+  73.0407 400695.7 179
+  74.0248 94302.8 42
+  82.0299 258701.1 115
+  82.0662 52593.2 23
+  83.025 149241.3 66
+  84.0091 241821.2 108
+  84.0456 57663.4 25
+  85.0408 91810.4 41
+  85.0658 71317.4 31
+  95.0249 89071.9 39
+  96.0455 66311.3 29
+  97.0042 42804.4 19
+  97.0407 138394.2 61
+  98.0247 122610.6 54
+  98.061 37732.6 16
+  99.02 246366.8 110
+  99.0563 155543.5 69
+  100.0403 95732.5 42
+  106.0423 210066 93
+  109.0407 288429.6 128
+  110.0248 49233.6 22
+  111.0202 115116.7 51
+  111.0563 507063.2 226
+  112.0403 80877.4 36
+  113.0358 208794.3 93
+  113.072 1467029.5 655
+  114.0562 207363.6 92
+  119.0501 48148.2 21
+  121.0407 318517.5 142
+  123.0564 247586.1 110
+  124.0278 62361.3 27
+  124.0403 240102.2 107
+  125.0356 581058.2 259
+  125.0719 86035.2 38
+  126.0559 62044.5 27
+  127.0512 804482.2 359
+  128.0353 144683.1 64
+  129.1032 231433.7 103
+  130.0621 68975.6 30
+  135.0199 26208.1 11
+  135.0563 118344.4 52
+  138.0557 57712.8 25
+  138.0673 216474.2 96
+  139.0512 444378.2 198
+  139.0875 90616.5 40
+  140.0828 81633.6 36
+  141.0669 103581.3 46
+  151.051 121194.8 54
+  152.0831 111027.4 49
+  153.0667 2234259.8 999
+  155.0823 120036 53
+  160.0761 35109.3 15
+  163.0516 127924.9 57
+  165.0667 115510.9 51
+  169.0987 215625.6 96
+  170.0928 103657.5 46
+  176.0459 32978.2 14
+  178.0616 117896.2 52
+  179.0458 135160.7 60
+  181.1342 206696.7 92
+  209.1293 119900 53
+  210.0877 137370.7 61
+  226.1555 397340.7 177
+  264.0986 49143.1 21
+//
diff --git a/Eawag/MSBNK-EAWAG-EC017359.txt b/Eawag/MSBNK-EAWAG-EC017359.txt
new file mode 100644
index 0000000000..83da35098a
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC017359.txt
@@ -0,0 +1,146 @@
+ACCESSION: MSBNK-EAWAG-EC017359
+RECORD_TITLE: Portoamide C; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1073/pnas.0914343107
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 173
+CH$NAME: Portoamide C
+CH$NAME: 3-((6R,9S,15S,18R,20aS,25aS,34R,40aS,E)-18-((S)-sec-butyl)-12-ethylidene-37-hydroxy-9-((R)-1-hydroxyethyl)-15-(hydroxymethyl)-6-(4-methoxyphenethyl)-5,8,11,14,17,20,25,30,33,36,40-undecaoxo-38-(2,4,5-trihydroxy-7-methyloctyl)octatriacontahydro-1H,25H-tripyrrolo[1,2-b1:1`,2`-g:1``,2``-j][1,4,7,10,13,16,19,22,25,28,31]undecaazacyclotetratriacontin-34-yl)propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C62H96N12O19
+CH$EXACT_MASS: 1312.691469
+CH$SMILES: O=C([C@@H](CCC(N)=O)NC1=O)NCC(N2[C@@H](CCC2)C(N3[C@@H](CCC3)C(N[C@H]([C@@H](C)CC)C(N[C@@H](CO)C(N/C(C(N[C@@H]([C@@H](C)O)C(N[C@H](CCC4=CC=C(OC)C=C4)C(N5[C@@H](CCC5)C(NC(CC(O)CC(O)C(O)CC(C)C)C1O)=O)=O)=O)=O)=C/C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C62H96N12O19/c1-8-33(5)50-58(88)69-42(31-75)55(85)65-38(9-2)54(84)71-51(34(6)76)59(89)67-40(21-18-35-16-19-37(93-7)20-17-35)61(91)73-25-10-13-43(73)56(86)68-41(28-36(77)29-47(79)46(78)27-32(3)4)52(82)60(90)66-39(22-23-48(63)80)53(83)64-30-49(81)72-24-12-15-45(72)62(92)74-26-11-14-44(74)57(87)70-50/h9,16-17,19-20,32-34,36,39-47,50-52,75-79,82H,8,10-15,18,21-31H2,1-7H3,(H2,63,80)(H,64,83)(H,65,85)(H,66,90)(H,67,89)(H,68,86)(H,69,88)(H,70,87)(H,71,84)/b38-9+/t33-,34+,36?,39+,40+,41?,42-,43-,44-,45-,46?,47?,50+,51-,52?/m0/s1
+CH$LINK: PUBCHEM CID:146683715
+CH$LINK: INCHIKEY ACFCYNJDAMJVRV-SFBMPHMPSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1359
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.125 min
+MS$FOCUSED_ION: BASE_PEAK 1357.6912
+MS$FOCUSED_ION: PRECURSOR_M/Z 1311.6842
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0w4i-3900000000-a4a5ecf36616a4c586ba
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  65.9985 C3NO- 1 65.9985 -0.81
+  66.0349 C4H4N- 1 66.0349 -0.25
+  70.0299 C3H4NO- 1 70.0298 0.41
+  73.0407 C2H5N2O- 1 73.0407 -0.78
+  80.0506 C5H6N- 1 80.0506 -0.27
+  81.0346 C5H5O- 1 81.0346 -0.36
+  82.0298 C4H4NO- 1 82.0298 -0.58
+  82.0661 C5H8N- 1 82.0662 -1.43
+  83.0251 C3H3N2O- 1 83.0251 -0.08
+  84.009 C3H2NO2- 1 84.0091 -0.64
+  85.0405 C3H5N2O- 1 85.0407 -2.49
+  95.025 C4H3N2O- 1 95.0251 -0.66
+  96.0456 C5H6NO- 1 96.0455 1.15
+  97.0408 C4H5N2O- 1 97.0407 0.53
+  98.0122 C3H2N2O2- 1 98.0122 -0.23
+  98.0248 C4H4NO2- 1 98.0248 0.13
+  99.02 C3H3N2O2- 1 99.02 -0.51
+  99.0561 C4H7N2O- 1 99.0564 -2.98
+  106.0424 C7H6O- 1 106.0424 -0.37
+  109.0407 C5H5N2O- 1 109.0407 -0.45
+  110.0248 C5H4NO2- 1 110.0248 0.25
+  110.0612 C6H8NO- 1 110.0611 0.31
+  111.02 C4H3N2O2- 1 111.02 -0.19
+  111.0563 C5H7N2O- 1 111.0564 -0.54
+  112.0403 C5H6NO2- 1 112.0404 -0.95
+  113.0356 C4H5N2O2- 1 113.0357 -0.51
+  113.0719 C5H9N2O- 1 113.072 -0.79
+  114.056 C5H8NO2- 1 114.0561 -0.33
+  121.0407 C6H5N2O- 1 121.0407 -0.24
+  123.02 C5H3N2O2- 1 123.02 -0.3
+  123.0562 C6H7N2O- 1 123.0564 -1.11
+  124.0279 C5H4N2O2- 1 124.0278 0.37
+  124.0403 C6H6NO2- 1 124.0404 -0.45
+  125.0356 C5H5N2O2- 1 125.0357 -0.44
+  125.0718 C6H9N2O- 1 125.072 -2.03
+  127.0512 C5H7N2O2- 1 127.0513 -1.15
+  128.0353 C5H6NO3- 1 128.0353 -0.36
+  129.103 C6H13N2O- 1 129.1033 -2.39
+  135.0201 C6H3N2O2- 1 135.02 0.64
+  138.0557 C7H8NO2- 1 138.0561 -2.52
+  138.0673 C6H8N3O- 1 138.0673 0.22
+  139.0511 C6H7N2O2- 1 139.0513 -1.67
+  139.0871 C7H11N2O- 1 139.0877 -4.48
+  149.0721 C8H9N2O- 1 149.072 0.48
+  153.0666 C7H9N2O2- 1 153.067 -2.01
+  155.0823 C7H11N2O2- 1 155.0826 -2.11
+  163.0517 C8H7N2O2- 1 163.0513 2.26
+  169.0985 C8H13N2O2- 1 169.0983 1.66
+  181.1342 C10H17N2O- 1 181.1346 -2.17
+  208.1455 C11H18N3O- 1 208.1455 -0.16
+  209.1291 C11H17N2O2- 2 209.1296 -1.95
+  210.0875 C9H12N3O3- 2 210.0884 -4.21
+PK$NUM_PEAK: 52
+PK$PEAK: m/z int. rel.int.
+  65.9985 60981 39
+  66.0349 78392.2 50
+  70.0299 78392.6 50
+  73.0407 458242.2 294
+  80.0506 42674.1 27
+  81.0346 77986.7 50
+  82.0298 256741.3 164
+  82.0661 54293.6 34
+  83.0251 173829.4 111
+  84.009 243904 156
+  85.0405 116801.6 74
+  95.025 73577.5 47
+  96.0456 82132.1 52
+  97.0408 159074.5 102
+  98.0122 39983.8 25
+  98.0248 98646.9 63
+  99.02 179943.9 115
+  99.0561 96624.4 62
+  106.0424 222650.6 142
+  109.0407 230168.7 147
+  110.0248 57069.5 36
+  110.0612 45232.5 29
+  111.02 137436.3 88
+  111.0563 354273 227
+  112.0403 63129.6 40
+  113.0356 160867.2 103
+  113.0719 1127879.2 724
+  114.056 191968.7 123
+  121.0407 276951.8 177
+  123.02 30602.4 19
+  123.0562 203305 130
+  124.0279 45048.9 28
+  124.0403 211473.1 135
+  125.0356 513648.5 329
+  125.0718 104485.9 67
+  127.0512 428841.1 275
+  128.0353 94841.7 60
+  129.103 132642.7 85
+  135.0201 33488.5 21
+  138.0557 65645.6 42
+  138.0673 111875.5 71
+  139.0511 298116.2 191
+  139.0871 58905.4 37
+  149.0721 22695.8 14
+  153.0666 1556191.2 999
+  155.0823 63239.3 40
+  163.0517 103219.9 66
+  169.0985 73543.8 47
+  181.1342 86348.4 55
+  208.1455 54121.5 34
+  209.1291 44066.8 28
+  210.0875 68786.4 44
+//
diff --git a/Eawag/MSBNK-EAWAG-EC017401.txt b/Eawag/MSBNK-EAWAG-EC017401.txt
new file mode 100644
index 0000000000..d2c75ed312
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC017401.txt
@@ -0,0 +1,46 @@
+ACCESSION: MSBNK-EAWAG-EC017401
+RECORD_TITLE: Portoamide D; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1073/pnas.0914343107
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 174
+CH$NAME: Portoamide D
+CH$NAME: 3-((6R,9S,15S,18R,20aS,25aS,34R,40aS,E)-18-((S)-sec-butyl)-12-ethylidene-37-hydroxy-9-((R)-1-hydroxyethyl)-15-(hydroxymethyl)-5,8,11,14,17,20,25,30,33,36,40-undecaoxo-6-phenethyl-38-(2,4,5-trihydroxy-7-methyloctyl)octatriacontahydro-1H,25H-tripyrrolo[1,2-b1:1`,2`-g:1``,2``-j][1,4,7,10,13,16,19,22,25,28,31]undecaazacyclotetratriacontin-34-yl)propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C61H94N12O18
+CH$EXACT_MASS: 1282.680904
+CH$SMILES: O=C([C@@H](CCC(N)=O)NC1=O)NCC(N2[C@@H](CCC2)C(N3[C@@H](CCC3)C(N[C@H]([C@@H](C)CC)C(N[C@@H](CO)C(N/C(C(N[C@@H]([C@@H](C)O)C(N[C@H](CCC4=CC=CC=C4)C(N5[C@@H](CCC5)C(NC(CC(O)CC(O)C(O)CC(C)C)C1O)=O)=O)=O)=O)=C/C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C61H94N12O18/c1-7-33(5)49-57(87)68-41(31-74)54(84)64-37(8-2)53(83)70-50(34(6)75)58(88)66-39(21-20-35-15-10-9-11-16-35)60(90)72-25-12-17-42(72)55(85)67-40(28-36(76)29-46(78)45(77)27-32(3)4)51(81)59(89)65-38(22-23-47(62)79)52(82)63-30-48(80)71-24-14-19-44(71)61(91)73-26-13-18-43(73)56(86)69-49/h8-11,15-16,32-34,36,38-46,49-51,74-78,81H,7,12-14,17-31H2,1-6H3,(H2,62,79)(H,63,82)(H,64,84)(H,65,89)(H,66,88)(H,67,85)(H,68,87)(H,69,86)(H,70,83)/b37-8+/t33-,34+,36?,38+,39+,40?,41-,42-,43-,44-,45?,46?,49+,50-,51?/m0/s1
+CH$LINK: PUBCHEM CID:146683716
+CH$LINK: INCHIKEY OCPKVHKLLYWOOG-FIAGRJNLSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1330
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.774 min
+MS$FOCUSED_ION: BASE_PEAK 642.3468
+MS$FOCUSED_ION: PRECURSOR_M/Z 1283.6882
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-001i-0090000000-db9ffad92873472816a9
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  1265.6799 C61H93N12O17+ 1 1265.6776 1.84
+  1283.6872 C61H95N12O18+ 1 1283.6882 -0.78
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  1265.6799 593599.6 207
+  1283.6872 2852327 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC017402.txt b/Eawag/MSBNK-EAWAG-EC017402.txt
new file mode 100644
index 0000000000..9c221da8ee
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC017402.txt
@@ -0,0 +1,48 @@
+ACCESSION: MSBNK-EAWAG-EC017402
+RECORD_TITLE: Portoamide D; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1073/pnas.0914343107
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 174
+CH$NAME: Portoamide D
+CH$NAME: 3-((6R,9S,15S,18R,20aS,25aS,34R,40aS,E)-18-((S)-sec-butyl)-12-ethylidene-37-hydroxy-9-((R)-1-hydroxyethyl)-15-(hydroxymethyl)-5,8,11,14,17,20,25,30,33,36,40-undecaoxo-6-phenethyl-38-(2,4,5-trihydroxy-7-methyloctyl)octatriacontahydro-1H,25H-tripyrrolo[1,2-b1:1`,2`-g:1``,2``-j][1,4,7,10,13,16,19,22,25,28,31]undecaazacyclotetratriacontin-34-yl)propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C61H94N12O18
+CH$EXACT_MASS: 1282.680904
+CH$SMILES: O=C([C@@H](CCC(N)=O)NC1=O)NCC(N2[C@@H](CCC2)C(N3[C@@H](CCC3)C(N[C@H]([C@@H](C)CC)C(N[C@@H](CO)C(N/C(C(N[C@@H]([C@@H](C)O)C(N[C@H](CCC4=CC=CC=C4)C(N5[C@@H](CCC5)C(NC(CC(O)CC(O)C(O)CC(C)C)C1O)=O)=O)=O)=O)=C/C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C61H94N12O18/c1-7-33(5)49-57(87)68-41(31-74)54(84)64-37(8-2)53(83)70-50(34(6)75)58(88)66-39(21-20-35-15-10-9-11-16-35)60(90)72-25-12-17-42(72)55(85)67-40(28-36(76)29-46(78)45(77)27-32(3)4)51(81)59(89)65-38(22-23-47(62)79)52(82)63-30-48(80)71-24-14-19-44(71)61(91)73-26-13-18-43(73)56(86)69-49/h8-11,15-16,32-34,36,38-46,49-51,74-78,81H,7,12-14,17-31H2,1-6H3,(H2,62,79)(H,63,82)(H,64,84)(H,65,89)(H,66,88)(H,67,85)(H,68,87)(H,69,86)(H,70,83)/b37-8+/t33-,34+,36?,38+,39+,40?,41-,42-,43-,44-,45?,46?,49+,50-,51?/m0/s1
+CH$LINK: PUBCHEM CID:146683716
+CH$LINK: INCHIKEY OCPKVHKLLYWOOG-FIAGRJNLSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1330
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.774 min
+MS$FOCUSED_ION: BASE_PEAK 642.3468
+MS$FOCUSED_ION: PRECURSOR_M/Z 1283.6882
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-001i-0090100000-7bd8e65da07c36f6dc54
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  487.2752 C21H43O12+ 14 487.2749 0.65
+  1265.6771 C61H93N12O17+ 1 1265.6776 -0.38
+  1283.689 C61H95N12O18+ 1 1283.6882 0.65
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  487.2752 165917.5 182
+  1265.6771 439481.6 482
+  1283.689 909604.4 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC017403.txt b/Eawag/MSBNK-EAWAG-EC017403.txt
new file mode 100644
index 0000000000..74692e14ea
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC017403.txt
@@ -0,0 +1,60 @@
+ACCESSION: MSBNK-EAWAG-EC017403
+RECORD_TITLE: Portoamide D; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1073/pnas.0914343107
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 174
+CH$NAME: Portoamide D
+CH$NAME: 3-((6R,9S,15S,18R,20aS,25aS,34R,40aS,E)-18-((S)-sec-butyl)-12-ethylidene-37-hydroxy-9-((R)-1-hydroxyethyl)-15-(hydroxymethyl)-5,8,11,14,17,20,25,30,33,36,40-undecaoxo-6-phenethyl-38-(2,4,5-trihydroxy-7-methyloctyl)octatriacontahydro-1H,25H-tripyrrolo[1,2-b1:1`,2`-g:1``,2``-j][1,4,7,10,13,16,19,22,25,28,31]undecaazacyclotetratriacontin-34-yl)propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C61H94N12O18
+CH$EXACT_MASS: 1282.680904
+CH$SMILES: O=C([C@@H](CCC(N)=O)NC1=O)NCC(N2[C@@H](CCC2)C(N3[C@@H](CCC3)C(N[C@H]([C@@H](C)CC)C(N[C@@H](CO)C(N/C(C(N[C@@H]([C@@H](C)O)C(N[C@H](CCC4=CC=CC=C4)C(N5[C@@H](CCC5)C(NC(CC(O)CC(O)C(O)CC(C)C)C1O)=O)=O)=O)=O)=C/C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C61H94N12O18/c1-7-33(5)49-57(87)68-41(31-74)54(84)64-37(8-2)53(83)70-50(34(6)75)58(88)66-39(21-20-35-15-10-9-11-16-35)60(90)72-25-12-17-42(72)55(85)67-40(28-36(76)29-46(78)45(77)27-32(3)4)51(81)59(89)65-38(22-23-47(62)79)52(82)63-30-48(80)71-24-14-19-44(71)61(91)73-26-13-18-43(73)56(86)69-49/h8-11,15-16,32-34,36,38-46,49-51,74-78,81H,7,12-14,17-31H2,1-6H3,(H2,62,79)(H,63,82)(H,64,84)(H,65,89)(H,66,88)(H,67,85)(H,68,87)(H,69,86)(H,70,83)/b37-8+/t33-,34+,36?,38+,39+,40?,41-,42-,43-,44-,45?,46?,49+,50-,51?/m0/s1
+CH$LINK: PUBCHEM CID:146683716
+CH$LINK: INCHIKEY OCPKVHKLLYWOOG-FIAGRJNLSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1330
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.774 min
+MS$FOCUSED_ION: BASE_PEAK 642.3468
+MS$FOCUSED_ION: PRECURSOR_M/Z 1283.6882
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-007a-0007900002-c9173144923e9790e525
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  70.0651 C4H8N+ 1 70.0651 -1.06
+  115.0867 C5H11N2O+ 1 115.0866 0.91
+  313.2118 CH35N3O14+ 6 313.2114 1.46
+  395.2288 C18H25N11+ 10 395.2289 -0.33
+  448.255 C7H40N6O15+ 12 448.2546 0.79
+  452.2492 C18H36N4O9+ 11 452.2477 3.47
+  476.25 C22H28N12O+ 15 476.2504 -0.74
+  487.2758 C21H43O12+ 14 487.2749 1.77
+  920.5064 C43H70N9O13+ 20 920.5088 -2.61
+PK$NUM_PEAK: 9
+PK$PEAK: m/z int. rel.int.
+  70.0651 93885.9 122
+  115.0867 27979.3 36
+  313.2118 146350.8 190
+  395.2288 748100.6 975
+  448.255 74246.8 96
+  452.2492 200302.1 261
+  476.25 79215.8 103
+  487.2758 766183 999
+  920.5064 295881.1 385
+//
diff --git a/Eawag/MSBNK-EAWAG-EC017404.txt b/Eawag/MSBNK-EAWAG-EC017404.txt
new file mode 100644
index 0000000000..672d09733c
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC017404.txt
@@ -0,0 +1,84 @@
+ACCESSION: MSBNK-EAWAG-EC017404
+RECORD_TITLE: Portoamide D; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1073/pnas.0914343107
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 174
+CH$NAME: Portoamide D
+CH$NAME: 3-((6R,9S,15S,18R,20aS,25aS,34R,40aS,E)-18-((S)-sec-butyl)-12-ethylidene-37-hydroxy-9-((R)-1-hydroxyethyl)-15-(hydroxymethyl)-5,8,11,14,17,20,25,30,33,36,40-undecaoxo-6-phenethyl-38-(2,4,5-trihydroxy-7-methyloctyl)octatriacontahydro-1H,25H-tripyrrolo[1,2-b1:1`,2`-g:1``,2``-j][1,4,7,10,13,16,19,22,25,28,31]undecaazacyclotetratriacontin-34-yl)propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C61H94N12O18
+CH$EXACT_MASS: 1282.680904
+CH$SMILES: O=C([C@@H](CCC(N)=O)NC1=O)NCC(N2[C@@H](CCC2)C(N3[C@@H](CCC3)C(N[C@H]([C@@H](C)CC)C(N[C@@H](CO)C(N/C(C(N[C@@H]([C@@H](C)O)C(N[C@H](CCC4=CC=CC=C4)C(N5[C@@H](CCC5)C(NC(CC(O)CC(O)C(O)CC(C)C)C1O)=O)=O)=O)=O)=C/C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C61H94N12O18/c1-7-33(5)49-57(87)68-41(31-74)54(84)64-37(8-2)53(83)70-50(34(6)75)58(88)66-39(21-20-35-15-10-9-11-16-35)60(90)72-25-12-17-42(72)55(85)67-40(28-36(76)29-46(78)45(77)27-32(3)4)51(81)59(89)65-38(22-23-47(62)79)52(82)63-30-48(80)71-24-14-19-44(71)61(91)73-26-13-18-43(73)56(86)69-49/h8-11,15-16,32-34,36,38-46,49-51,74-78,81H,7,12-14,17-31H2,1-6H3,(H2,62,79)(H,63,82)(H,64,84)(H,65,89)(H,66,88)(H,67,85)(H,68,87)(H,69,86)(H,70,83)/b37-8+/t33-,34+,36?,38+,39+,40?,41-,42-,43-,44-,45?,46?,49+,50-,51?/m0/s1
+CH$LINK: PUBCHEM CID:146683716
+CH$LINK: INCHIKEY OCPKVHKLLYWOOG-FIAGRJNLSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1330
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.774 min
+MS$FOCUSED_ION: BASE_PEAK 642.3468
+MS$FOCUSED_ION: PRECURSOR_M/Z 1283.6882
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-06ya-2219400000-8d0d1cd3628c38dd4ba6
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  70.0651 C4H8N+ 1 70.0651 -0.74
+  86.0964 C5H12N+ 1 86.0964 -0.52
+  115.0864 C5H11N2O+ 1 115.0866 -1.21
+  127.0864 C6H11N2O+ 1 127.0866 -1.11
+  134.0963 C9H12N+ 1 134.0964 -0.82
+  155.0811 C7H11N2O2+ 1 155.0815 -2.35
+  211.1442 C11H19N2O2+ 1 211.1441 0.34
+  263.1387 C12H17N5O2+ 4 263.1377 4.06
+  280.1659 C14H22N3O3+ 4 280.1656 1.36
+  280.2017 C15H26N3O2+ 5 280.202 -0.74
+  298.1754 C12H22N6O3+ 4 298.1748 1.89
+  308.1961 CH32N4O13+ 7 308.196 0.27
+  313.2115 CH35N3O14+ 6 313.2114 0.48
+  337.2232 C17H29N4O3+ 8 337.2234 -0.69
+  358.2335 C16H26N10+ 9 358.2336 -0.43
+  377.2184 C4H35N5O14+ 10 377.2175 2.28
+  395.2282 C4H37N5O15+ 11 395.2281 0.29
+  452.2489 C18H36N4O9+ 12 452.2477 2.66
+  487.2753 C21H43O12+ 14 487.2749 0.83
+  509.2601 C9H43N5O18+ 14 509.2598 0.67
+  535.2861 C37H35N4+ 14 535.2856 0.87
+PK$NUM_PEAK: 21
+PK$PEAK: m/z int. rel.int.
+  70.0651 523289.2 523
+  86.0964 76725.3 76
+  115.0864 167896.6 167
+  127.0864 109306.1 109
+  134.0963 88912.4 88
+  155.0811 168864.6 168
+  211.1442 66675.2 66
+  263.1387 86564.6 86
+  280.1659 40394 40
+  280.2017 166467.2 166
+  298.1754 102084 102
+  308.1961 245733.1 245
+  313.2115 644913 645
+  337.2232 153191.5 153
+  358.2335 207101.7 207
+  377.2184 276200.1 276
+  395.2282 824921.5 825
+  452.2489 205407.9 205
+  487.2753 998431 999
+  509.2601 51040.9 51
+  535.2861 121308.6 121
+//
diff --git a/Eawag/MSBNK-EAWAG-EC017405.txt b/Eawag/MSBNK-EAWAG-EC017405.txt
new file mode 100644
index 0000000000..6ce8826178
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC017405.txt
@@ -0,0 +1,140 @@
+ACCESSION: MSBNK-EAWAG-EC017405
+RECORD_TITLE: Portoamide D; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1073/pnas.0914343107
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 174
+CH$NAME: Portoamide D
+CH$NAME: 3-((6R,9S,15S,18R,20aS,25aS,34R,40aS,E)-18-((S)-sec-butyl)-12-ethylidene-37-hydroxy-9-((R)-1-hydroxyethyl)-15-(hydroxymethyl)-5,8,11,14,17,20,25,30,33,36,40-undecaoxo-6-phenethyl-38-(2,4,5-trihydroxy-7-methyloctyl)octatriacontahydro-1H,25H-tripyrrolo[1,2-b1:1`,2`-g:1``,2``-j][1,4,7,10,13,16,19,22,25,28,31]undecaazacyclotetratriacontin-34-yl)propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C61H94N12O18
+CH$EXACT_MASS: 1282.680904
+CH$SMILES: O=C([C@@H](CCC(N)=O)NC1=O)NCC(N2[C@@H](CCC2)C(N3[C@@H](CCC3)C(N[C@H]([C@@H](C)CC)C(N[C@@H](CO)C(N/C(C(N[C@@H]([C@@H](C)O)C(N[C@H](CCC4=CC=CC=C4)C(N5[C@@H](CCC5)C(NC(CC(O)CC(O)C(O)CC(C)C)C1O)=O)=O)=O)=O)=C/C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C61H94N12O18/c1-7-33(5)49-57(87)68-41(31-74)54(84)64-37(8-2)53(83)70-50(34(6)75)58(88)66-39(21-20-35-15-10-9-11-16-35)60(90)72-25-12-17-42(72)55(85)67-40(28-36(76)29-46(78)45(77)27-32(3)4)51(81)59(89)65-38(22-23-47(62)79)52(82)63-30-48(80)71-24-14-19-44(71)61(91)73-26-13-18-43(73)56(86)69-49/h8-11,15-16,32-34,36,38-46,49-51,74-78,81H,7,12-14,17-31H2,1-6H3,(H2,62,79)(H,63,82)(H,64,84)(H,65,89)(H,66,88)(H,67,85)(H,68,87)(H,69,86)(H,70,83)/b37-8+/t33-,34+,36?,38+,39+,40?,41-,42-,43-,44-,45?,46?,49+,50-,51?/m0/s1
+CH$LINK: PUBCHEM CID:146683716
+CH$LINK: INCHIKEY OCPKVHKLLYWOOG-FIAGRJNLSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1330
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.774 min
+MS$FOCUSED_ION: BASE_PEAK 642.3468
+MS$FOCUSED_ION: PRECURSOR_M/Z 1283.6882
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00di-7942000000-fd0f618e72a13a1cd7fd
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  70.0651 C4H8N+ 1 70.0651 -0.63
+  81.07 C6H9+ 1 81.0699 1.3
+  84.0443 C4H6NO+ 1 84.0444 -1.12
+  84.0806 C5H10N+ 1 84.0808 -1.58
+  86.0963 C5H12N+ 1 86.0964 -1.32
+  98.0597 C5H8NO+ 1 98.06 -3.98
+  101.0712 C4H9N2O+ 1 101.0709 2.17
+  112.0759 C6H10NO+ 1 112.0757 2.03
+  115.0865 C5H11N2O+ 1 115.0866 -0.68
+  116.0707 C5H10NO2+ 1 116.0706 0.95
+  117.0698 C9H9+ 1 117.0699 -0.87
+  126.0548 C6H8NO2+ 1 126.055 -1.2
+  126.0914 C7H12NO+ 1 126.0913 0.55
+  127.0864 C6H11N2O+ 1 127.0866 -1.59
+  134.0963 C9H12N+ 1 134.0964 -0.94
+  138.1281 C9H16N+ 1 138.1277 2.92
+  143.1063 C8H15O2+ 1 143.1067 -2.72
+  150.1275 C10H16N+ 1 150.1277 -1.8
+  153.1025 C8H13N2O+ 1 153.1022 1.74
+  155.0812 C7H11N2O2+ 1 155.0815 -2.05
+  163.1118 C11H15O+ 1 163.1117 0.54
+  167.1176 C9H15N2O+ 1 167.1179 -1.62
+  168.1381 C10H18NO+ 1 168.1383 -1.17
+  171.0763 C7H11N2O3+ 1 171.0764 -0.42
+  183.1489 C10H19N2O+ 1 183.1492 -1.77
+  185.0917 C8H13N2O3+ 1 185.0921 -1.93
+  186.1273 C13H16N+ 1 186.1277 -2.1
+  186.1485 C10H20NO2+ 1 186.1489 -1.67
+  195.112 C10H15N2O2+ 2 195.1128 -3.98
+  198.1484 C11H20NO2+ 2 198.1489 -2.43
+  201.1228 C7H15N5O2+ 2 201.122 3.92
+  211.1436 C11H19N2O2+ 2 211.1441 -2.26
+  235.1432 C13H19N2O2+ 2 235.1441 -3.96
+  238.1184 C11H16N3O3+ 2 238.1186 -0.76
+  244.1536 C10H20N4O3+ 2 244.153 2.34
+  252.1333 C10H16N6O2+ 2 252.1329 1.59
+  254.1126 C11H16N3O4+ 2 254.1135 -3.74
+  266.113 C12H16N3O4+ 2 266.1135 -2.17
+  266.1491 C11H18N6O2+ 3 266.1486 2.04
+  272.1222 C9H16N6O4+ 3 272.1228 -2.17
+  280.1646 C14H22N3O3+ 2 280.1656 -3.32
+  280.2018 C15H26N3O2+ 5 280.202 -0.41
+  298.1756 C14H24N3O4+ 4 298.1761 -1.69
+  308.1949 H26N11O8+ 6 308.196 -3.67
+  335.17 C16H23N4O4+ 8 335.1714 -4.03
+  337.223 C17H29N4O3+ 7 337.2234 -1.14
+  372.2115 C16H24N10O+ 8 372.2129 -3.75
+  395.2285 C18H25N11+ 11 395.2289 -0.87
+  469.267 C23H33N8O3+ 12 469.267 -0.08
+PK$NUM_PEAK: 49
+PK$PEAK: m/z int. rel.int.
+  70.0651 3614446 999
+  81.07 48872.2 13
+  84.0443 60694.2 16
+  84.0806 88489 24
+  86.0963 651534.4 180
+  98.0597 176742 48
+  101.0712 70447.4 19
+  112.0759 50542.6 13
+  115.0865 489487.9 135
+  116.0707 106317.8 29
+  117.0698 138267.5 38
+  126.0548 209393.1 57
+  126.0914 127637.4 35
+  127.0864 763901.7 211
+  134.0963 521225.6 144
+  138.1281 74966.2 20
+  143.1063 125423.5 34
+  150.1275 67247.9 18
+  153.1025 83860.5 23
+  155.0812 859022.3 237
+  163.1118 66548 18
+  167.1176 210468.3 58
+  168.1381 66164.5 18
+  171.0763 97492.4 26
+  183.1489 761756.7 210
+  185.0917 112855.7 31
+  186.1273 239476.5 66
+  186.1485 209604.5 57
+  195.112 249945.5 69
+  198.1484 48023.7 13
+  201.1228 83698.1 23
+  211.1436 542495 149
+  235.1432 289369.3 79
+  238.1184 75775.7 20
+  244.1536 139271.9 38
+  252.1333 405406.7 112
+  254.1126 136308 37
+  266.113 370934.7 102
+  266.1491 80881.7 22
+  272.1222 55014.4 15
+  280.1646 147721 40
+  280.2018 281330.9 77
+  298.1756 415466.4 114
+  308.1949 446989.7 123
+  335.17 72234.2 19
+  337.223 167700 46
+  372.2115 238903.8 66
+  395.2285 459530.7 127
+  469.267 241693.3 66
+//
diff --git a/Eawag/MSBNK-EAWAG-EC017406.txt b/Eawag/MSBNK-EAWAG-EC017406.txt
new file mode 100644
index 0000000000..454c3748cb
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC017406.txt
@@ -0,0 +1,134 @@
+ACCESSION: MSBNK-EAWAG-EC017406
+RECORD_TITLE: Portoamide D; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1073/pnas.0914343107
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 174
+CH$NAME: Portoamide D
+CH$NAME: 3-((6R,9S,15S,18R,20aS,25aS,34R,40aS,E)-18-((S)-sec-butyl)-12-ethylidene-37-hydroxy-9-((R)-1-hydroxyethyl)-15-(hydroxymethyl)-5,8,11,14,17,20,25,30,33,36,40-undecaoxo-6-phenethyl-38-(2,4,5-trihydroxy-7-methyloctyl)octatriacontahydro-1H,25H-tripyrrolo[1,2-b1:1`,2`-g:1``,2``-j][1,4,7,10,13,16,19,22,25,28,31]undecaazacyclotetratriacontin-34-yl)propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C61H94N12O18
+CH$EXACT_MASS: 1282.680904
+CH$SMILES: O=C([C@@H](CCC(N)=O)NC1=O)NCC(N2[C@@H](CCC2)C(N3[C@@H](CCC3)C(N[C@H]([C@@H](C)CC)C(N[C@@H](CO)C(N/C(C(N[C@@H]([C@@H](C)O)C(N[C@H](CCC4=CC=CC=C4)C(N5[C@@H](CCC5)C(NC(CC(O)CC(O)C(O)CC(C)C)C1O)=O)=O)=O)=O)=C/C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C61H94N12O18/c1-7-33(5)49-57(87)68-41(31-74)54(84)64-37(8-2)53(83)70-50(34(6)75)58(88)66-39(21-20-35-15-10-9-11-16-35)60(90)72-25-12-17-42(72)55(85)67-40(28-36(76)29-46(78)45(77)27-32(3)4)51(81)59(89)65-38(22-23-47(62)79)52(82)63-30-48(80)71-24-14-19-44(71)61(91)73-26-13-18-43(73)56(86)69-49/h8-11,15-16,32-34,36,38-46,49-51,74-78,81H,7,12-14,17-31H2,1-6H3,(H2,62,79)(H,63,82)(H,64,84)(H,65,89)(H,66,88)(H,67,85)(H,68,87)(H,69,86)(H,70,83)/b37-8+/t33-,34+,36?,38+,39+,40?,41-,42-,43-,44-,45?,46?,49+,50-,51?/m0/s1
+CH$LINK: PUBCHEM CID:146683716
+CH$LINK: INCHIKEY OCPKVHKLLYWOOG-FIAGRJNLSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1330
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.774 min
+MS$FOCUSED_ION: BASE_PEAK 642.3468
+MS$FOCUSED_ION: PRECURSOR_M/Z 1283.6882
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00di-9620000000-92045d937c38e2968260
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  67.0542 C5H7+ 1 67.0542 -0.42
+  69.0698 C5H9+ 1 69.0699 -0.76
+  70.0651 C4H8N+ 1 70.0651 -0.63
+  74.0598 C3H8NO+ 1 74.06 -3.19
+  81.0698 C6H9+ 1 81.0699 -1.15
+  84.0444 C4H6NO+ 1 84.0444 0.24
+  84.0809 C5H10N+ 1 84.0808 1.05
+  86.0963 C5H12N+ 1 86.0964 -1.23
+  87.0441 C4H7O2+ 1 87.0441 0.58
+  91.0543 C7H7+ 1 91.0542 1.06
+  98.0599 C5H8NO+ 1 98.06 -1.1
+  99.0804 C6H11O+ 1 99.0804 -0.4
+  112.0758 C6H10NO+ 1 112.0757 0.73
+  115.0866 C5H11N2O+ 1 115.0866 0.11
+  116.0704 C5H10NO2+ 1 116.0706 -1.74
+  117.0698 C9H9+ 1 117.0699 -0.87
+  125.0958 C8H13O+ 1 125.0961 -2.34
+  126.0548 C6H8NO2+ 1 126.055 -1.62
+  126.0912 C7H12NO+ 1 126.0913 -0.78
+  127.0864 C6H11N2O+ 1 127.0866 -1.29
+  134.0962 C9H12N+ 1 134.0964 -1.62
+  143.1064 C8H15O2+ 1 143.1067 -1.54
+  155.0813 C7H11N2O2+ 1 155.0815 -1.26
+  163.1113 C11H15O+ 1 163.1117 -2.83
+  167.1178 C9H15N2O+ 1 167.1179 -0.25
+  168.1384 C10H18NO+ 1 168.1383 0.46
+  183.1488 C10H19N2O+ 1 183.1492 -2.19
+  185.0916 C8H13N2O3+ 2 185.0921 -2.26
+  186.1275 C13H16N+ 1 186.1277 -1.36
+  186.1487 C10H20NO2+ 1 186.1489 -1.1
+  195.1123 C10H15N2O2+ 2 195.1128 -2.49
+  208.1326 C12H18NO2+ 2 208.1332 -3.13
+  211.1436 C11H19N2O2+ 2 211.1441 -2.19
+  216.159 C11H22NO3+ 2 216.1594 -2.15
+  235.143 C13H19N2O2+ 2 235.1441 -4.55
+  244.1537 C10H20N4O3+ 2 244.153 2.71
+  252.1325 C10H16N6O2+ 3 252.1329 -1.5
+  254.1132 C11H16N3O4+ 2 254.1135 -1.22
+  261.1805 C12H25N2O4+ 2 261.1809 -1.6
+  266.1131 C12H16N3O4+ 2 266.1135 -1.48
+  266.1492 C11H18N6O2+ 3 266.1486 2.38
+  280.1648 C14H22N3O3+ 4 280.1656 -2.89
+  280.2017 C15H26N3O2+ 5 280.202 -0.85
+  298.1747 C12H22N6O3+ 4 298.1748 -0.26
+  308.196 H26N11O8+ 7 308.196 -0.21
+  313.2114 CH35N3O14+ 6 313.2114 -0.01
+PK$NUM_PEAK: 46
+PK$PEAK: m/z int. rel.int.
+  67.0542 86922.8 10
+  69.0698 88474.5 10
+  70.0651 8268238 999
+  74.0598 146918.8 17
+  81.0698 192442.9 23
+  84.0444 377900.5 45
+  84.0809 131296.3 15
+  86.0963 1028537.8 124
+  87.0441 105949.5 12
+  91.0543 133407.8 16
+  98.0599 445880.3 53
+  99.0804 226080.7 27
+  112.0758 88781.1 10
+  115.0866 482245.8 58
+  116.0704 184028.8 22
+  117.0698 287396.4 34
+  125.0958 153564.9 18
+  126.0548 386156.8 46
+  126.0912 177506.8 21
+  127.0864 1219311.6 147
+  134.0962 641252.5 77
+  143.1064 381222.8 46
+  155.0813 976964.8 118
+  163.1113 93176.1 11
+  167.1178 264706.8 31
+  168.1384 99121.2 11
+  183.1488 1690784.2 204
+  185.0916 101696.9 12
+  186.1275 442942.9 53
+  186.1487 309643.6 37
+  195.1123 240479.9 29
+  208.1326 171481.8 20
+  211.1436 474169.3 57
+  216.159 611367.9 73
+  235.143 292456.3 35
+  244.1537 98740.7 11
+  252.1325 164310.2 19
+  254.1132 92803.2 11
+  261.1805 254211.7 30
+  266.1131 245939.9 29
+  266.1492 100414.7 12
+  280.1648 109462.7 13
+  280.2017 95141 11
+  298.1747 205784.2 24
+  308.196 102822.9 12
+  313.2114 847268.6 102
+//
diff --git a/Eawag/MSBNK-EAWAG-EC017407.txt b/Eawag/MSBNK-EAWAG-EC017407.txt
new file mode 100644
index 0000000000..146d165699
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC017407.txt
@@ -0,0 +1,114 @@
+ACCESSION: MSBNK-EAWAG-EC017407
+RECORD_TITLE: Portoamide D; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1073/pnas.0914343107
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 174
+CH$NAME: Portoamide D
+CH$NAME: 3-((6R,9S,15S,18R,20aS,25aS,34R,40aS,E)-18-((S)-sec-butyl)-12-ethylidene-37-hydroxy-9-((R)-1-hydroxyethyl)-15-(hydroxymethyl)-5,8,11,14,17,20,25,30,33,36,40-undecaoxo-6-phenethyl-38-(2,4,5-trihydroxy-7-methyloctyl)octatriacontahydro-1H,25H-tripyrrolo[1,2-b1:1`,2`-g:1``,2``-j][1,4,7,10,13,16,19,22,25,28,31]undecaazacyclotetratriacontin-34-yl)propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C61H94N12O18
+CH$EXACT_MASS: 1282.680904
+CH$SMILES: O=C([C@@H](CCC(N)=O)NC1=O)NCC(N2[C@@H](CCC2)C(N3[C@@H](CCC3)C(N[C@H]([C@@H](C)CC)C(N[C@@H](CO)C(N/C(C(N[C@@H]([C@@H](C)O)C(N[C@H](CCC4=CC=CC=C4)C(N5[C@@H](CCC5)C(NC(CC(O)CC(O)C(O)CC(C)C)C1O)=O)=O)=O)=O)=C/C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C61H94N12O18/c1-7-33(5)49-57(87)68-41(31-74)54(84)64-37(8-2)53(83)70-50(34(6)75)58(88)66-39(21-20-35-15-10-9-11-16-35)60(90)72-25-12-17-42(72)55(85)67-40(28-36(76)29-46(78)45(77)27-32(3)4)51(81)59(89)65-38(22-23-47(62)79)52(82)63-30-48(80)71-24-14-19-44(71)61(91)73-26-13-18-43(73)56(86)69-49/h8-11,15-16,32-34,36,38-46,49-51,74-78,81H,7,12-14,17-31H2,1-6H3,(H2,62,79)(H,63,82)(H,64,84)(H,65,89)(H,66,88)(H,67,85)(H,68,87)(H,69,86)(H,70,83)/b37-8+/t33-,34+,36?,38+,39+,40?,41-,42-,43-,44-,45?,46?,49+,50-,51?/m0/s1
+CH$LINK: PUBCHEM CID:146683716
+CH$LINK: INCHIKEY OCPKVHKLLYWOOG-FIAGRJNLSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1330
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.774 min
+MS$FOCUSED_ION: BASE_PEAK 642.3468
+MS$FOCUSED_ION: PRECURSOR_M/Z 1283.6882
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00di-9400000000-886814650f2cc00e5af4
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  60.0443 C2H6NO+ 1 60.0444 -1.74
+  69.0698 C5H9+ 1 69.0699 -0.99
+  70.0651 C4H8N+ 1 70.0651 -0.41
+  74.06 C3H8NO+ 1 74.06 -0.1
+  81.0699 C6H9+ 1 81.0699 0.17
+  84.0444 C4H6NO+ 1 84.0444 -0.03
+  84.0806 C5H10N+ 1 84.0808 -1.86
+  86.0964 C5H12N+ 1 86.0964 -0.43
+  87.0441 C4H7O2+ 1 87.0441 0.15
+  91.0541 C7H7+ 1 91.0542 -0.87
+  98.06 C5H8NO+ 1 98.06 -0.63
+  99.0804 C6H11O+ 1 99.0804 -0.25
+  101.0708 C4H9N2O+ 1 101.0709 -1.45
+  107.0854 C8H11+ 1 107.0855 -1.12
+  115.0863 C5H11N2O+ 1 115.0866 -2.14
+  116.0706 C5H10NO2+ 1 116.0706 -0.36
+  117.0698 C9H9+ 1 117.0699 -0.35
+  125.0961 C8H13O+ 1 125.0961 0.16
+  126.0549 C6H8NO2+ 1 126.055 -0.47
+  126.0912 C7H12NO+ 1 126.0913 -1.39
+  127.0865 C6H11N2O+ 1 127.0866 -1.05
+  134.0962 C9H12N+ 1 134.0964 -1.62
+  143.1064 C8H15O2+ 1 143.1067 -1.65
+  150.1274 C10H16N+ 1 150.1277 -1.9
+  153.1023 C8H13N2O+ 1 153.1022 0.54
+  155.0812 C7H11N2O2+ 1 155.0815 -1.66
+  167.0812 C8H11N2O2+ 1 167.0815 -2.02
+  167.1177 C9H15N2O+ 1 167.1179 -1.25
+  183.1489 C10H19N2O+ 1 183.1492 -1.44
+  186.1275 C13H16N+ 1 186.1277 -1.2
+  186.1486 C10H20NO2+ 1 186.1489 -1.42
+  198.1489 C11H20NO2+ 1 198.1489 0.34
+  211.1435 C11H19N2O2+ 2 211.1441 -2.77
+  216.159 C11H22NO3+ 2 216.1594 -1.79
+  235.1441 C13H19N2O2+ 2 235.1441 0
+  261.1812 C12H25N2O4+ 2 261.1809 1.21
+PK$NUM_PEAK: 36
+PK$PEAK: m/z int. rel.int.
+  60.0443 139243 11
+  69.0698 127261 10
+  70.0651 11841387 999
+  74.06 196167.9 16
+  81.0699 392495.6 33
+  84.0444 676694.8 57
+  84.0806 148311 12
+  86.0964 1170912.1 98
+  87.0441 211471.2 17
+  91.0541 374731.6 31
+  98.06 710833.9 59
+  99.0804 363429.8 30
+  101.0708 160696.9 13
+  107.0854 155226.6 13
+  115.0863 281004.9 23
+  116.0706 186480.7 15
+  117.0698 460514.9 38
+  125.0961 236948.4 19
+  126.0549 281913 23
+  126.0912 231089.5 19
+  127.0865 1235257 104
+  134.0962 572949 48
+  143.1064 453340.7 38
+  150.1274 134837.1 11
+  153.1023 137929.5 11
+  155.0812 595640.8 50
+  167.0812 171698.3 14
+  167.1177 180953.5 15
+  183.1489 1260616.9 106
+  186.1275 481815.7 40
+  186.1486 194454.4 16
+  198.1489 120434.9 10
+  211.1435 166272.2 14
+  216.159 371181.9 31
+  235.1441 129288.5 10
+  261.1812 141815.6 11
+//
diff --git a/Eawag/MSBNK-EAWAG-EC017408.txt b/Eawag/MSBNK-EAWAG-EC017408.txt
new file mode 100644
index 0000000000..60a86d09ae
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC017408.txt
@@ -0,0 +1,96 @@
+ACCESSION: MSBNK-EAWAG-EC017408
+RECORD_TITLE: Portoamide D; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1073/pnas.0914343107
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 174
+CH$NAME: Portoamide D
+CH$NAME: 3-((6R,9S,15S,18R,20aS,25aS,34R,40aS,E)-18-((S)-sec-butyl)-12-ethylidene-37-hydroxy-9-((R)-1-hydroxyethyl)-15-(hydroxymethyl)-5,8,11,14,17,20,25,30,33,36,40-undecaoxo-6-phenethyl-38-(2,4,5-trihydroxy-7-methyloctyl)octatriacontahydro-1H,25H-tripyrrolo[1,2-b1:1`,2`-g:1``,2``-j][1,4,7,10,13,16,19,22,25,28,31]undecaazacyclotetratriacontin-34-yl)propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C61H94N12O18
+CH$EXACT_MASS: 1282.680904
+CH$SMILES: O=C([C@@H](CCC(N)=O)NC1=O)NCC(N2[C@@H](CCC2)C(N3[C@@H](CCC3)C(N[C@H]([C@@H](C)CC)C(N[C@@H](CO)C(N/C(C(N[C@@H]([C@@H](C)O)C(N[C@H](CCC4=CC=CC=C4)C(N5[C@@H](CCC5)C(NC(CC(O)CC(O)C(O)CC(C)C)C1O)=O)=O)=O)=O)=C/C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C61H94N12O18/c1-7-33(5)49-57(87)68-41(31-74)54(84)64-37(8-2)53(83)70-50(34(6)75)58(88)66-39(21-20-35-15-10-9-11-16-35)60(90)72-25-12-17-42(72)55(85)67-40(28-36(76)29-46(78)45(77)27-32(3)4)51(81)59(89)65-38(22-23-47(62)79)52(82)63-30-48(80)71-24-14-19-44(71)61(91)73-26-13-18-43(73)56(86)69-49/h8-11,15-16,32-34,36,38-46,49-51,74-78,81H,7,12-14,17-31H2,1-6H3,(H2,62,79)(H,63,82)(H,64,84)(H,65,89)(H,66,88)(H,67,85)(H,68,87)(H,69,86)(H,70,83)/b37-8+/t33-,34+,36?,38+,39+,40?,41-,42-,43-,44-,45?,46?,49+,50-,51?/m0/s1
+CH$LINK: PUBCHEM CID:146683716
+CH$LINK: INCHIKEY OCPKVHKLLYWOOG-FIAGRJNLSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1330
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.774 min
+MS$FOCUSED_ION: BASE_PEAK 642.3468
+MS$FOCUSED_ION: PRECURSOR_M/Z 1283.6882
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00di-9100000000-f8eeb498596be36bc377
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  60.0444 C2H6NO+ 1 60.0444 -0.15
+  67.0542 C5H7+ 1 67.0542 -0.54
+  69.0699 C5H9+ 1 69.0699 0.67
+  70.0651 C4H8N+ 1 70.0651 -0.19
+  74.06 C3H8NO+ 1 74.06 -0.93
+  79.0542 C6H7+ 1 79.0542 -0.66
+  81.0699 C6H9+ 1 81.0699 -0.3
+  84.0444 C4H6NO+ 1 84.0444 -0.21
+  86.0964 C5H12N+ 1 86.0964 -0.43
+  87.0439 C4H7O2+ 1 87.0441 -1.43
+  91.0542 C7H7+ 1 91.0542 -0.36
+  98.06 C5H8NO+ 1 98.06 -0.79
+  99.0804 C6H11O+ 1 99.0804 -0.33
+  101.071 C4H9N2O+ 1 101.0709 0.66
+  107.0854 C8H11+ 1 107.0855 -1.19
+  115.0861 C5H11N2O+ 1 115.0866 -4
+  117.0698 C9H9+ 1 117.0699 -1
+  125.0961 C8H13O+ 1 125.0961 0.46
+  126.0548 C6H8NO2+ 1 126.055 -1.5
+  126.0908 C7H12NO+ 1 126.0913 -4.17
+  127.0865 C6H11N2O+ 1 127.0866 -0.81
+  134.0962 C9H12N+ 1 134.0964 -1.85
+  143.1068 C8H15O2+ 1 143.1067 1.23
+  155.0812 C7H11N2O2+ 1 155.0815 -1.85
+  183.1487 C10H19N2O+ 2 183.1492 -2.69
+  186.1279 C13H16N+ 1 186.1277 0.93
+  216.159 C11H22NO3+ 2 216.1594 -1.93
+PK$NUM_PEAK: 27
+PK$PEAK: m/z int. rel.int.
+  60.0444 215055.4 14
+  67.0542 184946.3 12
+  69.0699 163449.1 11
+  70.0651 14339894 999
+  74.06 170544.8 11
+  79.0542 177754.9 12
+  81.0699 517438.4 36
+  84.0444 1030798.3 71
+  86.0964 1093287.4 76
+  87.0439 229653.5 15
+  91.0542 826907.5 57
+  98.06 880195.8 61
+  99.0804 406593.7 28
+  101.071 171908.6 11
+  107.0854 219420.9 15
+  115.0861 194652.9 13
+  117.0698 504484.8 35
+  125.0961 216280 15
+  126.0548 207588.7 14
+  126.0908 146841.1 10
+  127.0865 1023378.5 71
+  134.0962 436483.2 30
+  143.1068 246604.7 17
+  155.0812 311676 21
+  183.1487 405783.3 28
+  186.1279 346521.2 24
+  216.159 151829 10
+//
diff --git a/Eawag/MSBNK-EAWAG-EC017409.txt b/Eawag/MSBNK-EAWAG-EC017409.txt
new file mode 100644
index 0000000000..9ed330703a
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC017409.txt
@@ -0,0 +1,78 @@
+ACCESSION: MSBNK-EAWAG-EC017409
+RECORD_TITLE: Portoamide D; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1073/pnas.0914343107
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 174
+CH$NAME: Portoamide D
+CH$NAME: 3-((6R,9S,15S,18R,20aS,25aS,34R,40aS,E)-18-((S)-sec-butyl)-12-ethylidene-37-hydroxy-9-((R)-1-hydroxyethyl)-15-(hydroxymethyl)-5,8,11,14,17,20,25,30,33,36,40-undecaoxo-6-phenethyl-38-(2,4,5-trihydroxy-7-methyloctyl)octatriacontahydro-1H,25H-tripyrrolo[1,2-b1:1`,2`-g:1``,2``-j][1,4,7,10,13,16,19,22,25,28,31]undecaazacyclotetratriacontin-34-yl)propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C61H94N12O18
+CH$EXACT_MASS: 1282.680904
+CH$SMILES: O=C([C@@H](CCC(N)=O)NC1=O)NCC(N2[C@@H](CCC2)C(N3[C@@H](CCC3)C(N[C@H]([C@@H](C)CC)C(N[C@@H](CO)C(N/C(C(N[C@@H]([C@@H](C)O)C(N[C@H](CCC4=CC=CC=C4)C(N5[C@@H](CCC5)C(NC(CC(O)CC(O)C(O)CC(C)C)C1O)=O)=O)=O)=O)=C/C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C61H94N12O18/c1-7-33(5)49-57(87)68-41(31-74)54(84)64-37(8-2)53(83)70-50(34(6)75)58(88)66-39(21-20-35-15-10-9-11-16-35)60(90)72-25-12-17-42(72)55(85)67-40(28-36(76)29-46(78)45(77)27-32(3)4)51(81)59(89)65-38(22-23-47(62)79)52(82)63-30-48(80)71-24-14-19-44(71)61(91)73-26-13-18-43(73)56(86)69-49/h8-11,15-16,32-34,36,38-46,49-51,74-78,81H,7,12-14,17-31H2,1-6H3,(H2,62,79)(H,63,82)(H,64,84)(H,65,89)(H,66,88)(H,67,85)(H,68,87)(H,69,86)(H,70,83)/b37-8+/t33-,34+,36?,38+,39+,40?,41-,42-,43-,44-,45?,46?,49+,50-,51?/m0/s1
+CH$LINK: PUBCHEM CID:146683716
+CH$LINK: INCHIKEY OCPKVHKLLYWOOG-FIAGRJNLSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1330
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.774 min
+MS$FOCUSED_ION: BASE_PEAK 642.3468
+MS$FOCUSED_ION: PRECURSOR_M/Z 1283.6882
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00di-9000000000-98a2d191d63f9de6348b
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  60.0444 C2H6NO+ 1 60.0444 -0.66
+  69.0698 C5H9+ 1 69.0699 -0.43
+  70.0651 C4H8N+ 1 70.0651 -0.52
+  74.0601 C3H8NO+ 1 74.06 0.83
+  79.0542 C6H7+ 1 79.0542 -0.18
+  81.0698 C6H9+ 1 81.0699 -0.59
+  84.0443 C4H6NO+ 1 84.0444 -0.49
+  86.0963 C5H12N+ 1 86.0964 -1.32
+  87.044 C4H7O2+ 1 87.0441 -0.47
+  91.0542 C7H7+ 1 91.0542 -0.7
+  98.06 C5H8NO+ 1 98.06 -0.48
+  99.0805 C6H11O+ 1 99.0804 0.14
+  107.0853 C8H11+ 1 107.0855 -1.69
+  117.0698 C9H9+ 1 117.0699 -0.87
+  126.0547 C6H8NO2+ 1 126.055 -2.29
+  127.0864 C6H11N2O+ 1 127.0866 -1.35
+  134.0962 C9H12N+ 1 134.0964 -1.85
+  186.1275 C13H16N+ 1 186.1277 -1.2
+PK$NUM_PEAK: 18
+PK$PEAK: m/z int. rel.int.
+  60.0444 177004.2 12
+  69.0698 208577.1 14
+  70.0651 14163101 999
+  74.0601 154602.1 10
+  79.0542 235260.6 16
+  81.0698 629426.6 44
+  84.0443 1085893.5 76
+  86.0963 838938.3 59
+  87.044 160479.4 11
+  91.0542 1158648.1 81
+  98.06 787209 55
+  99.0805 316230.5 22
+  107.0853 170402.1 12
+  117.0698 501243.2 35
+  126.0547 160301.9 11
+  127.0864 509988.5 35
+  134.0962 242592.9 17
+  186.1275 167197.9 11
+//
diff --git a/Eawag/MSBNK-EAWAG-EC017451.txt b/Eawag/MSBNK-EAWAG-EC017451.txt
new file mode 100644
index 0000000000..ad8664f48e
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC017451.txt
@@ -0,0 +1,48 @@
+ACCESSION: MSBNK-EAWAG-EC017451
+RECORD_TITLE: Portoamide D; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1073/pnas.0914343107
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 174
+CH$NAME: Portoamide D
+CH$NAME: 3-((6R,9S,15S,18R,20aS,25aS,34R,40aS,E)-18-((S)-sec-butyl)-12-ethylidene-37-hydroxy-9-((R)-1-hydroxyethyl)-15-(hydroxymethyl)-5,8,11,14,17,20,25,30,33,36,40-undecaoxo-6-phenethyl-38-(2,4,5-trihydroxy-7-methyloctyl)octatriacontahydro-1H,25H-tripyrrolo[1,2-b1:1`,2`-g:1``,2``-j][1,4,7,10,13,16,19,22,25,28,31]undecaazacyclotetratriacontin-34-yl)propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C61H94N12O18
+CH$EXACT_MASS: 1282.680904
+CH$SMILES: O=C([C@@H](CCC(N)=O)NC1=O)NCC(N2[C@@H](CCC2)C(N3[C@@H](CCC3)C(N[C@H]([C@@H](C)CC)C(N[C@@H](CO)C(N/C(C(N[C@@H]([C@@H](C)O)C(N[C@H](CCC4=CC=CC=C4)C(N5[C@@H](CCC5)C(NC(CC(O)CC(O)C(O)CC(C)C)C1O)=O)=O)=O)=O)=C/C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C61H94N12O18/c1-7-33(5)49-57(87)68-41(31-74)54(84)64-37(8-2)53(83)70-50(34(6)75)58(88)66-39(21-20-35-15-10-9-11-16-35)60(90)72-25-12-17-42(72)55(85)67-40(28-36(76)29-46(78)45(77)27-32(3)4)51(81)59(89)65-38(22-23-47(62)79)52(82)63-30-48(80)71-24-14-19-44(71)61(91)73-26-13-18-43(73)56(86)69-49/h8-11,15-16,32-34,36,38-46,49-51,74-78,81H,7,12-14,17-31H2,1-6H3,(H2,62,79)(H,63,82)(H,64,84)(H,65,89)(H,66,88)(H,67,85)(H,68,87)(H,69,86)(H,70,83)/b37-8+/t33-,34+,36?,38+,39+,40?,41-,42-,43-,44-,45?,46?,49+,50-,51?/m0/s1
+CH$LINK: PUBCHEM CID:146683716
+CH$LINK: INCHIKEY OCPKVHKLLYWOOG-FIAGRJNLSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1328
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.762 min
+MS$FOCUSED_ION: BASE_PEAK 1327.6794
+MS$FOCUSED_ION: PRECURSOR_M/Z 1281.6736
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-000i-0090000000-d9bfa52a6057ee8fb68c
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  1207.6381 C58H87N12O16- 2 1207.6368 1.05
+  1219.638 C61H89N9O17- 2 1219.6382 -0.14
+  1237.6487 C61H91N9O18- 2 1237.6488 -0.06
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  1207.6381 156064.2 221
+  1219.638 64228.5 91
+  1237.6487 704420.9 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC017452.txt b/Eawag/MSBNK-EAWAG-EC017452.txt
new file mode 100644
index 0000000000..da37b136e4
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC017452.txt
@@ -0,0 +1,48 @@
+ACCESSION: MSBNK-EAWAG-EC017452
+RECORD_TITLE: Portoamide D; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1073/pnas.0914343107
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 174
+CH$NAME: Portoamide D
+CH$NAME: 3-((6R,9S,15S,18R,20aS,25aS,34R,40aS,E)-18-((S)-sec-butyl)-12-ethylidene-37-hydroxy-9-((R)-1-hydroxyethyl)-15-(hydroxymethyl)-5,8,11,14,17,20,25,30,33,36,40-undecaoxo-6-phenethyl-38-(2,4,5-trihydroxy-7-methyloctyl)octatriacontahydro-1H,25H-tripyrrolo[1,2-b1:1`,2`-g:1``,2``-j][1,4,7,10,13,16,19,22,25,28,31]undecaazacyclotetratriacontin-34-yl)propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C61H94N12O18
+CH$EXACT_MASS: 1282.680904
+CH$SMILES: O=C([C@@H](CCC(N)=O)NC1=O)NCC(N2[C@@H](CCC2)C(N3[C@@H](CCC3)C(N[C@H]([C@@H](C)CC)C(N[C@@H](CO)C(N/C(C(N[C@@H]([C@@H](C)O)C(N[C@H](CCC4=CC=CC=C4)C(N5[C@@H](CCC5)C(NC(CC(O)CC(O)C(O)CC(C)C)C1O)=O)=O)=O)=O)=C/C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C61H94N12O18/c1-7-33(5)49-57(87)68-41(31-74)54(84)64-37(8-2)53(83)70-50(34(6)75)58(88)66-39(21-20-35-15-10-9-11-16-35)60(90)72-25-12-17-42(72)55(85)67-40(28-36(76)29-46(78)45(77)27-32(3)4)51(81)59(89)65-38(22-23-47(62)79)52(82)63-30-48(80)71-24-14-19-44(71)61(91)73-26-13-18-43(73)56(86)69-49/h8-11,15-16,32-34,36,38-46,49-51,74-78,81H,7,12-14,17-31H2,1-6H3,(H2,62,79)(H,63,82)(H,64,84)(H,65,89)(H,66,88)(H,67,85)(H,68,87)(H,69,86)(H,70,83)/b37-8+/t33-,34+,36?,38+,39+,40?,41-,42-,43-,44-,45?,46?,49+,50-,51?/m0/s1
+CH$LINK: PUBCHEM CID:146683716
+CH$LINK: INCHIKEY OCPKVHKLLYWOOG-FIAGRJNLSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1328
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.762 min
+MS$FOCUSED_ION: BASE_PEAK 1327.6794
+MS$FOCUSED_ION: PRECURSOR_M/Z 1281.6736
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-052r-0290000000-723c5d0ba072aa0ea7b0
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  1189.6255 C58H85N12O15- 3 1189.6263 -0.65
+  1207.6384 C58H87N12O16- 2 1207.6368 1.26
+  1237.6492 C61H91N9O18- 2 1237.6488 0.33
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  1189.6255 351055.1 367
+  1207.6384 953375.9 999
+  1237.6492 607884.4 636
+//
diff --git a/Eawag/MSBNK-EAWAG-EC017453.txt b/Eawag/MSBNK-EAWAG-EC017453.txt
new file mode 100644
index 0000000000..b273ce9792
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC017453.txt
@@ -0,0 +1,46 @@
+ACCESSION: MSBNK-EAWAG-EC017453
+RECORD_TITLE: Portoamide D; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1073/pnas.0914343107
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 174
+CH$NAME: Portoamide D
+CH$NAME: 3-((6R,9S,15S,18R,20aS,25aS,34R,40aS,E)-18-((S)-sec-butyl)-12-ethylidene-37-hydroxy-9-((R)-1-hydroxyethyl)-15-(hydroxymethyl)-5,8,11,14,17,20,25,30,33,36,40-undecaoxo-6-phenethyl-38-(2,4,5-trihydroxy-7-methyloctyl)octatriacontahydro-1H,25H-tripyrrolo[1,2-b1:1`,2`-g:1``,2``-j][1,4,7,10,13,16,19,22,25,28,31]undecaazacyclotetratriacontin-34-yl)propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C61H94N12O18
+CH$EXACT_MASS: 1282.680904
+CH$SMILES: O=C([C@@H](CCC(N)=O)NC1=O)NCC(N2[C@@H](CCC2)C(N3[C@@H](CCC3)C(N[C@H]([C@@H](C)CC)C(N[C@@H](CO)C(N/C(C(N[C@@H]([C@@H](C)O)C(N[C@H](CCC4=CC=CC=C4)C(N5[C@@H](CCC5)C(NC(CC(O)CC(O)C(O)CC(C)C)C1O)=O)=O)=O)=O)=C/C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C61H94N12O18/c1-7-33(5)49-57(87)68-41(31-74)54(84)64-37(8-2)53(83)70-50(34(6)75)58(88)66-39(21-20-35-15-10-9-11-16-35)60(90)72-25-12-17-42(72)55(85)67-40(28-36(76)29-46(78)45(77)27-32(3)4)51(81)59(89)65-38(22-23-47(62)79)52(82)63-30-48(80)71-24-14-19-44(71)61(91)73-26-13-18-43(73)56(86)69-49/h8-11,15-16,32-34,36,38-46,49-51,74-78,81H,7,12-14,17-31H2,1-6H3,(H2,62,79)(H,63,82)(H,64,84)(H,65,89)(H,66,88)(H,67,85)(H,68,87)(H,69,86)(H,70,83)/b37-8+/t33-,34+,36?,38+,39+,40?,41-,42-,43-,44-,45?,46?,49+,50-,51?/m0/s1
+CH$LINK: PUBCHEM CID:146683716
+CH$LINK: INCHIKEY OCPKVHKLLYWOOG-FIAGRJNLSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1328
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.762 min
+MS$FOCUSED_ION: BASE_PEAK 1327.6794
+MS$FOCUSED_ION: PRECURSOR_M/Z 1281.6736
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0a4r-0890000000-50df4c311919ec8aa611
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  1189.6259 C58H85N12O15- 3 1189.6263 -0.34
+  1207.6378 C58H87N12O16- 2 1207.6368 0.75
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  1189.6259 380534.2 889
+  1207.6378 427250.1 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC017454.txt b/Eawag/MSBNK-EAWAG-EC017454.txt
new file mode 100644
index 0000000000..8afec614f0
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC017454.txt
@@ -0,0 +1,52 @@
+ACCESSION: MSBNK-EAWAG-EC017454
+RECORD_TITLE: Portoamide D; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1073/pnas.0914343107
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 174
+CH$NAME: Portoamide D
+CH$NAME: 3-((6R,9S,15S,18R,20aS,25aS,34R,40aS,E)-18-((S)-sec-butyl)-12-ethylidene-37-hydroxy-9-((R)-1-hydroxyethyl)-15-(hydroxymethyl)-5,8,11,14,17,20,25,30,33,36,40-undecaoxo-6-phenethyl-38-(2,4,5-trihydroxy-7-methyloctyl)octatriacontahydro-1H,25H-tripyrrolo[1,2-b1:1`,2`-g:1``,2``-j][1,4,7,10,13,16,19,22,25,28,31]undecaazacyclotetratriacontin-34-yl)propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C61H94N12O18
+CH$EXACT_MASS: 1282.680904
+CH$SMILES: O=C([C@@H](CCC(N)=O)NC1=O)NCC(N2[C@@H](CCC2)C(N3[C@@H](CCC3)C(N[C@H]([C@@H](C)CC)C(N[C@@H](CO)C(N/C(C(N[C@@H]([C@@H](C)O)C(N[C@H](CCC4=CC=CC=C4)C(N5[C@@H](CCC5)C(NC(CC(O)CC(O)C(O)CC(C)C)C1O)=O)=O)=O)=O)=C/C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C61H94N12O18/c1-7-33(5)49-57(87)68-41(31-74)54(84)64-37(8-2)53(83)70-50(34(6)75)58(88)66-39(21-20-35-15-10-9-11-16-35)60(90)72-25-12-17-42(72)55(85)67-40(28-36(76)29-46(78)45(77)27-32(3)4)51(81)59(89)65-38(22-23-47(62)79)52(82)63-30-48(80)71-24-14-19-44(71)61(91)73-26-13-18-43(73)56(86)69-49/h8-11,15-16,32-34,36,38-46,49-51,74-78,81H,7,12-14,17-31H2,1-6H3,(H2,62,79)(H,63,82)(H,64,84)(H,65,89)(H,66,88)(H,67,85)(H,68,87)(H,69,86)(H,70,83)/b37-8+/t33-,34+,36?,38+,39+,40?,41-,42-,43-,44-,45?,46?,49+,50-,51?/m0/s1
+CH$LINK: PUBCHEM CID:146683716
+CH$LINK: INCHIKEY OCPKVHKLLYWOOG-FIAGRJNLSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1328
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.762 min
+MS$FOCUSED_ION: BASE_PEAK 1327.6794
+MS$FOCUSED_ION: PRECURSOR_M/Z 1281.6736
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-004i-0033293000-cc282596d9ae8d7e8839
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  226.1555 C11H20N3O2- 2 226.1561 -2.76
+  309.1198 C12H21O9- 5 309.1191 2.25
+  426.2126 C19H30N4O7- 12 426.212 1.39
+  525.256 C8H37N12O14- 14 525.2558 0.43
+  636.3367 C17H50N9O16- 17 636.3381 -2.21
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  226.1555 122978.2 358
+  309.1198 129458.1 377
+  426.2126 79214.4 231
+  525.256 342240.6 999
+  636.3367 119956.7 350
+//
diff --git a/Eawag/MSBNK-EAWAG-EC017455.txt b/Eawag/MSBNK-EAWAG-EC017455.txt
new file mode 100644
index 0000000000..fa80d962d6
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC017455.txt
@@ -0,0 +1,82 @@
+ACCESSION: MSBNK-EAWAG-EC017455
+RECORD_TITLE: Portoamide D; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1073/pnas.0914343107
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 174
+CH$NAME: Portoamide D
+CH$NAME: 3-((6R,9S,15S,18R,20aS,25aS,34R,40aS,E)-18-((S)-sec-butyl)-12-ethylidene-37-hydroxy-9-((R)-1-hydroxyethyl)-15-(hydroxymethyl)-5,8,11,14,17,20,25,30,33,36,40-undecaoxo-6-phenethyl-38-(2,4,5-trihydroxy-7-methyloctyl)octatriacontahydro-1H,25H-tripyrrolo[1,2-b1:1`,2`-g:1``,2``-j][1,4,7,10,13,16,19,22,25,28,31]undecaazacyclotetratriacontin-34-yl)propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C61H94N12O18
+CH$EXACT_MASS: 1282.680904
+CH$SMILES: O=C([C@@H](CCC(N)=O)NC1=O)NCC(N2[C@@H](CCC2)C(N3[C@@H](CCC3)C(N[C@H]([C@@H](C)CC)C(N[C@@H](CO)C(N/C(C(N[C@@H]([C@@H](C)O)C(N[C@H](CCC4=CC=CC=C4)C(N5[C@@H](CCC5)C(NC(CC(O)CC(O)C(O)CC(C)C)C1O)=O)=O)=O)=O)=C/C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C61H94N12O18/c1-7-33(5)49-57(87)68-41(31-74)54(84)64-37(8-2)53(83)70-50(34(6)75)58(88)66-39(21-20-35-15-10-9-11-16-35)60(90)72-25-12-17-42(72)55(85)67-40(28-36(76)29-46(78)45(77)27-32(3)4)51(81)59(89)65-38(22-23-47(62)79)52(82)63-30-48(80)71-24-14-19-44(71)61(91)73-26-13-18-43(73)56(86)69-49/h8-11,15-16,32-34,36,38-46,49-51,74-78,81H,7,12-14,17-31H2,1-6H3,(H2,62,79)(H,63,82)(H,64,84)(H,65,89)(H,66,88)(H,67,85)(H,68,87)(H,69,86)(H,70,83)/b37-8+/t33-,34+,36?,38+,39+,40?,41-,42-,43-,44-,45?,46?,49+,50-,51?/m0/s1
+CH$LINK: PUBCHEM CID:146683716
+CH$LINK: INCHIKEY OCPKVHKLLYWOOG-FIAGRJNLSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1328
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.762 min
+MS$FOCUSED_ION: BASE_PEAK 1327.6794
+MS$FOCUSED_ION: PRECURSOR_M/Z 1281.6736
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-004i-0961010000-caf44e81c847644efde7
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  98.0247 C4H4NO2- 1 98.0248 -0.88
+  111.0562 C5H7N2O- 1 111.0564 -1.71
+  113.0719 C5H9N2O- 1 113.072 -1.13
+  115.0768 C6H11O2- 1 115.0765 2.97
+  121.0407 C6H5N2O- 1 121.0407 -0.49
+  127.0512 C5H7N2O2- 1 127.0513 -0.97
+  128.0351 C5H6NO3- 1 128.0353 -1.31
+  139.0509 C6H7N2O2- 1 139.0513 -2.77
+  141.067 C6H9N2O2- 1 141.067 0.08
+  145.0621 C5H9N2O3- 1 145.0619 1.51
+  153.0666 C7H9N2O2- 1 153.067 -2.31
+  155.046 C6H7N2O3- 1 155.0462 -1.66
+  156.0778 C6H10N3O2- 1 156.0779 -0.38
+  169.0974 C8H13N2O2- 2 169.0983 -4.92
+  226.1554 C11H20N3O2- 2 226.1561 -2.89
+  264.0982 C12H14N3O4- 2 264.099 -2.83
+  281.1251 C12H17N4O4- 3 281.1255 -1.58
+  291.1097 C13H15N4O4- 4 291.1099 -0.56
+  309.1198 C12H21O9- 5 309.1191 2.25
+  525.2566 C8H37N12O14- 12 525.2558 1.59
+PK$NUM_PEAK: 20
+PK$PEAK: m/z int. rel.int.
+  98.0247 33275 37
+  111.0562 117154.6 130
+  113.0719 170725.2 190
+  115.0768 57438.7 64
+  121.0407 76416.1 85
+  127.0512 521514.8 583
+  128.0351 129332.2 144
+  139.0509 176725.2 197
+  141.067 30220.8 33
+  145.0621 41460.6 46
+  153.0666 398031 445
+  155.046 152807.8 170
+  156.0778 78095 87
+  169.0974 103542 115
+  226.1554 893488.5 999
+  264.0982 131536.4 147
+  281.1251 291702.5 326
+  291.1097 113187.9 126
+  309.1198 283323.3 316
+  525.2566 348655.9 389
+//
diff --git a/Eawag/MSBNK-EAWAG-EC017456.txt b/Eawag/MSBNK-EAWAG-EC017456.txt
new file mode 100644
index 0000000000..836639216d
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC017456.txt
@@ -0,0 +1,106 @@
+ACCESSION: MSBNK-EAWAG-EC017456
+RECORD_TITLE: Portoamide D; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1073/pnas.0914343107
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 174
+CH$NAME: Portoamide D
+CH$NAME: 3-((6R,9S,15S,18R,20aS,25aS,34R,40aS,E)-18-((S)-sec-butyl)-12-ethylidene-37-hydroxy-9-((R)-1-hydroxyethyl)-15-(hydroxymethyl)-5,8,11,14,17,20,25,30,33,36,40-undecaoxo-6-phenethyl-38-(2,4,5-trihydroxy-7-methyloctyl)octatriacontahydro-1H,25H-tripyrrolo[1,2-b1:1`,2`-g:1``,2``-j][1,4,7,10,13,16,19,22,25,28,31]undecaazacyclotetratriacontin-34-yl)propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C61H94N12O18
+CH$EXACT_MASS: 1282.680904
+CH$SMILES: O=C([C@@H](CCC(N)=O)NC1=O)NCC(N2[C@@H](CCC2)C(N3[C@@H](CCC3)C(N[C@H]([C@@H](C)CC)C(N[C@@H](CO)C(N/C(C(N[C@@H]([C@@H](C)O)C(N[C@H](CCC4=CC=CC=C4)C(N5[C@@H](CCC5)C(NC(CC(O)CC(O)C(O)CC(C)C)C1O)=O)=O)=O)=O)=C/C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C61H94N12O18/c1-7-33(5)49-57(87)68-41(31-74)54(84)64-37(8-2)53(83)70-50(34(6)75)58(88)66-39(21-20-35-15-10-9-11-16-35)60(90)72-25-12-17-42(72)55(85)67-40(28-36(76)29-46(78)45(77)27-32(3)4)51(81)59(89)65-38(22-23-47(62)79)52(82)63-30-48(80)71-24-14-19-44(71)61(91)73-26-13-18-43(73)56(86)69-49/h8-11,15-16,32-34,36,38-46,49-51,74-78,81H,7,12-14,17-31H2,1-6H3,(H2,62,79)(H,63,82)(H,64,84)(H,65,89)(H,66,88)(H,67,85)(H,68,87)(H,69,86)(H,70,83)/b37-8+/t33-,34+,36?,38+,39+,40?,41-,42-,43-,44-,45?,46?,49+,50-,51?/m0/s1
+CH$LINK: PUBCHEM CID:146683716
+CH$LINK: INCHIKEY OCPKVHKLLYWOOG-FIAGRJNLSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1328
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.762 min
+MS$FOCUSED_ION: BASE_PEAK 1327.6794
+MS$FOCUSED_ION: PRECURSOR_M/Z 1281.6736
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0fb9-0920000000-d63a76d9d1013902ed74
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  84.0091 C3H2NO2- 1 84.0091 -0.27
+  98.0246 C4H4NO2- 1 98.0248 -1.66
+  99.0199 C3H3N2O2- 1 99.02 -1.28
+  99.0565 C4H7N2O- 1 99.0564 1.64
+  109.0406 C5H5N2O- 1 109.0407 -0.87
+  111.0563 C5H7N2O- 1 111.0564 -0.68
+  113.0355 C4H5N2O2- 1 113.0357 -1.19
+  113.0721 C5H9N2O- 1 113.072 0.29
+  114.0561 C5H8NO2- 1 114.0561 0.67
+  115.0762 C6H11O2- 1 115.0765 -2.01
+  121.0408 C6H5N2O- 1 121.0407 0.39
+  123.0563 C6H7N2O- 1 123.0564 -0.99
+  124.0403 C6H6NO2- 1 124.0404 -1.01
+  125.0357 C5H5N2O2- 1 125.0357 0.48
+  126.0563 C6H8NO2- 1 126.0561 2.18
+  127.0513 C5H7N2O2- 1 127.0513 -0.19
+  128.0353 C5H6NO3- 1 128.0353 -0.12
+  139.0512 C6H7N2O2- 1 139.0513 -0.57
+  140.0832 C6H10N3O- 1 140.0829 2.05
+  151.0514 C7H7N2O2- 1 151.0513 0.81
+  153.0668 C7H9N2O2- 1 153.067 -1.22
+  155.0461 C6H7N2O3- 1 155.0462 -0.77
+  156.0778 C6H10N3O2- 1 156.0779 -0.28
+  163.0513 C8H7N2O2- 1 163.0513 -0.08
+  169.0979 C8H13N2O2- 1 169.0983 -2.13
+  178.0623 C8H8N3O2- 1 178.0622 0.49
+  200.0712 C12H10NO2- 2 200.0717 -2.51
+  217.0979 C12H13N2O2- 2 217.0983 -1.44
+  226.1557 C11H20N3O2- 2 226.1561 -1.88
+  257.1285 H23N3O12- 3 257.1287 -0.79
+  264.098 C12H14N3O4- 2 264.099 -3.64
+  281.1253 C12H17N4O4- 3 281.1255 -0.82
+PK$NUM_PEAK: 32
+PK$PEAK: m/z int. rel.int.
+  84.0091 79583.7 84
+  98.0246 69726.1 73
+  99.0199 83454.6 88
+  99.0565 113318.9 119
+  109.0406 104949.2 111
+  111.0563 265172.8 280
+  113.0355 86335.3 91
+  113.0721 498357.8 527
+  114.0561 68905.6 72
+  115.0762 86688.8 91
+  121.0408 152197.3 161
+  123.0563 126882.3 134
+  124.0403 68799 72
+  125.0357 163921.4 173
+  126.0563 44063.3 46
+  127.0513 752393.5 796
+  128.0353 144693.8 153
+  139.0512 283652.7 300
+  140.0832 56357.1 59
+  151.0514 71286.4 75
+  153.0668 943780.8 999
+  155.0461 97854.1 103
+  156.0778 94886.5 100
+  163.0513 71422 75
+  169.0979 248624.1 263
+  178.0623 96349.6 101
+  200.0712 57272.5 60
+  217.0979 80128.9 84
+  226.1557 889072.6 941
+  257.1285 74578.9 78
+  264.098 114613.7 121
+  281.1253 251046.6 265
+//
diff --git a/Eawag/MSBNK-EAWAG-EC017457.txt b/Eawag/MSBNK-EAWAG-EC017457.txt
new file mode 100644
index 0000000000..508e1368af
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC017457.txt
@@ -0,0 +1,94 @@
+ACCESSION: MSBNK-EAWAG-EC017457
+RECORD_TITLE: Portoamide D; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1073/pnas.0914343107
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 174
+CH$NAME: Portoamide D
+CH$NAME: 3-((6R,9S,15S,18R,20aS,25aS,34R,40aS,E)-18-((S)-sec-butyl)-12-ethylidene-37-hydroxy-9-((R)-1-hydroxyethyl)-15-(hydroxymethyl)-5,8,11,14,17,20,25,30,33,36,40-undecaoxo-6-phenethyl-38-(2,4,5-trihydroxy-7-methyloctyl)octatriacontahydro-1H,25H-tripyrrolo[1,2-b1:1`,2`-g:1``,2``-j][1,4,7,10,13,16,19,22,25,28,31]undecaazacyclotetratriacontin-34-yl)propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C61H94N12O18
+CH$EXACT_MASS: 1282.680904
+CH$SMILES: O=C([C@@H](CCC(N)=O)NC1=O)NCC(N2[C@@H](CCC2)C(N3[C@@H](CCC3)C(N[C@H]([C@@H](C)CC)C(N[C@@H](CO)C(N/C(C(N[C@@H]([C@@H](C)O)C(N[C@H](CCC4=CC=CC=C4)C(N5[C@@H](CCC5)C(NC(CC(O)CC(O)C(O)CC(C)C)C1O)=O)=O)=O)=O)=C/C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C61H94N12O18/c1-7-33(5)49-57(87)68-41(31-74)54(84)64-37(8-2)53(83)70-50(34(6)75)58(88)66-39(21-20-35-15-10-9-11-16-35)60(90)72-25-12-17-42(72)55(85)67-40(28-36(76)29-46(78)45(77)27-32(3)4)51(81)59(89)65-38(22-23-47(62)79)52(82)63-30-48(80)71-24-14-19-44(71)61(91)73-26-13-18-43(73)56(86)69-49/h8-11,15-16,32-34,36,38-46,49-51,74-78,81H,7,12-14,17-31H2,1-6H3,(H2,62,79)(H,63,82)(H,64,84)(H,65,89)(H,66,88)(H,67,85)(H,68,87)(H,69,86)(H,70,83)/b37-8+/t33-,34+,36?,38+,39+,40?,41-,42-,43-,44-,45?,46?,49+,50-,51?/m0/s1
+CH$LINK: PUBCHEM CID:146683716
+CH$LINK: INCHIKEY OCPKVHKLLYWOOG-FIAGRJNLSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1328
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.762 min
+MS$FOCUSED_ION: BASE_PEAK 1327.6794
+MS$FOCUSED_ION: PRECURSOR_M/Z 1281.6736
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0h00-1910000000-3a6b4a284bc865afceed
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  73.0408 C2H5N2O- 1 73.0407 1.52
+  82.0298 C4H4NO- 1 82.0298 -0.21
+  84.0093 C3H2NO2- 1 84.0091 2.09
+  91.0554 C7H7- 1 91.0553 0.42
+  99.02 C3H3N2O2- 1 99.02 0.26
+  99.0565 C4H7N2O- 1 99.0564 1.49
+  100.0403 C4H6NO2- 1 100.0404 -1.19
+  109.0406 C5H5N2O- 1 109.0407 -0.87
+  111.0564 C5H7N2O- 1 111.0564 0.21
+  113.0355 C4H5N2O2- 1 113.0357 -1.05
+  113.072 C5H9N2O- 1 113.072 0.02
+  114.0562 C5H8NO2- 1 114.0561 1.34
+  121.0407 C6H5N2O- 1 121.0407 -0.37
+  125.0356 C5H5N2O2- 1 125.0357 -0.62
+  126.056 C6H8NO2- 1 126.0561 -0.54
+  127.0513 C5H7N2O2- 1 127.0513 -0.01
+  128.0353 C5H6NO3- 1 128.0353 -0.36
+  129.1031 C6H13N2O- 1 129.1033 -1.69
+  138.0676 C6H8N3O- 1 138.0673 2.21
+  139.0511 C6H7N2O2- 1 139.0513 -1.23
+  153.0667 C7H9N2O2- 1 153.067 -1.51
+  169.0984 C8H13N2O2- 1 169.0983 0.94
+  178.0621 C8H8N3O2- 1 178.0622 -0.37
+  181.1343 C10H17N2O- 1 181.1346 -1.67
+  226.1557 C11H20N3O2- 2 226.1561 -1.75
+  281.1252 C12H17N4O4- 3 281.1255 -1.04
+PK$NUM_PEAK: 26
+PK$PEAK: m/z int. rel.int.
+  73.0408 145307.2 138
+  82.0298 94582.2 90
+  84.0093 104850.2 99
+  91.0554 91072.6 86
+  99.02 117407.2 111
+  99.0565 105906.2 100
+  100.0403 58263.2 55
+  109.0406 131708 125
+  111.0564 281878.9 268
+  113.0355 110723.9 105
+  113.072 659043.1 627
+  114.0562 91831.3 87
+  121.0407 174105.9 165
+  125.0356 183265 174
+  126.056 31723.4 30
+  127.0513 528016.7 502
+  128.0353 100781.6 95
+  129.1031 113711.3 108
+  138.0676 94691.9 90
+  139.0511 265265.1 252
+  153.0667 1049269.6 999
+  169.0984 196120.7 186
+  178.0621 74371 70
+  181.1343 101368 96
+  226.1557 455261.7 433
+  281.1252 101011 96
+//
diff --git a/Eawag/MSBNK-EAWAG-EC017458.txt b/Eawag/MSBNK-EAWAG-EC017458.txt
new file mode 100644
index 0000000000..47bb4f6727
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC017458.txt
@@ -0,0 +1,78 @@
+ACCESSION: MSBNK-EAWAG-EC017458
+RECORD_TITLE: Portoamide D; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1073/pnas.0914343107
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 174
+CH$NAME: Portoamide D
+CH$NAME: 3-((6R,9S,15S,18R,20aS,25aS,34R,40aS,E)-18-((S)-sec-butyl)-12-ethylidene-37-hydroxy-9-((R)-1-hydroxyethyl)-15-(hydroxymethyl)-5,8,11,14,17,20,25,30,33,36,40-undecaoxo-6-phenethyl-38-(2,4,5-trihydroxy-7-methyloctyl)octatriacontahydro-1H,25H-tripyrrolo[1,2-b1:1`,2`-g:1``,2``-j][1,4,7,10,13,16,19,22,25,28,31]undecaazacyclotetratriacontin-34-yl)propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C61H94N12O18
+CH$EXACT_MASS: 1282.680904
+CH$SMILES: O=C([C@@H](CCC(N)=O)NC1=O)NCC(N2[C@@H](CCC2)C(N3[C@@H](CCC3)C(N[C@H]([C@@H](C)CC)C(N[C@@H](CO)C(N/C(C(N[C@@H]([C@@H](C)O)C(N[C@H](CCC4=CC=CC=C4)C(N5[C@@H](CCC5)C(NC(CC(O)CC(O)C(O)CC(C)C)C1O)=O)=O)=O)=O)=C/C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C61H94N12O18/c1-7-33(5)49-57(87)68-41(31-74)54(84)64-37(8-2)53(83)70-50(34(6)75)58(88)66-39(21-20-35-15-10-9-11-16-35)60(90)72-25-12-17-42(72)55(85)67-40(28-36(76)29-46(78)45(77)27-32(3)4)51(81)59(89)65-38(22-23-47(62)79)52(82)63-30-48(80)71-24-14-19-44(71)61(91)73-26-13-18-43(73)56(86)69-49/h8-11,15-16,32-34,36,38-46,49-51,74-78,81H,7,12-14,17-31H2,1-6H3,(H2,62,79)(H,63,82)(H,64,84)(H,65,89)(H,66,88)(H,67,85)(H,68,87)(H,69,86)(H,70,83)/b37-8+/t33-,34+,36?,38+,39+,40?,41-,42-,43-,44-,45?,46?,49+,50-,51?/m0/s1
+CH$LINK: PUBCHEM CID:146683716
+CH$LINK: INCHIKEY OCPKVHKLLYWOOG-FIAGRJNLSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1328
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.762 min
+MS$FOCUSED_ION: BASE_PEAK 1327.6794
+MS$FOCUSED_ION: PRECURSOR_M/Z 1281.6736
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0w4i-1900000000-bd978ff9456b6abd54ef
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  73.0407 C2H5N2O- 1 73.0407 -0.89
+  82.0299 C4H4NO- 1 82.0298 0.26
+  99.0199 C3H3N2O2- 1 99.02 -1.36
+  99.0564 C4H7N2O- 1 99.0564 -0.13
+  109.0406 C5H5N2O- 1 109.0407 -0.87
+  111.0563 C5H7N2O- 1 111.0564 -0.75
+  113.072 C5H9N2O- 1 113.072 -0.52
+  114.0562 C5H8NO2- 1 114.0561 1.68
+  121.0405 C6H5N2O- 1 121.0407 -2.19
+  123.0562 C6H7N2O- 1 123.0564 -1.92
+  125.0355 C5H5N2O2- 1 125.0357 -1.17
+  127.0511 C5H7N2O2- 1 127.0513 -1.27
+  129.1034 C6H13N2O- 1 129.1033 0.8
+  135.0566 C7H7N2O- 1 135.0564 1.25
+  138.0674 C6H8N3O- 1 138.0673 0.77
+  139.0509 C6H7N2O2- 1 139.0513 -2.88
+  153.0666 C7H9N2O2- 1 153.067 -2.01
+  169.0983 C8H13N2O2- 1 169.0983 0.4
+PK$NUM_PEAK: 18
+PK$PEAK: m/z int. rel.int.
+  73.0407 176178.2 204
+  82.0299 98544.2 114
+  99.0199 111326.6 129
+  99.0564 73555.8 85
+  109.0406 110374.8 128
+  111.0563 202131.9 235
+  113.072 551847.1 642
+  114.0562 71960.2 83
+  121.0405 121816.9 141
+  123.0562 82918.3 96
+  125.0355 214137.9 249
+  127.0511 320076 372
+  129.1034 83660.7 97
+  135.0566 55030.8 64
+  138.0674 88185.7 102
+  139.0509 171344.6 199
+  153.0666 858578.2 999
+  169.0983 86892.2 101
+//
diff --git a/Eawag/MSBNK-EAWAG-EC017459.txt b/Eawag/MSBNK-EAWAG-EC017459.txt
new file mode 100644
index 0000000000..5babc48b79
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC017459.txt
@@ -0,0 +1,90 @@
+ACCESSION: MSBNK-EAWAG-EC017459
+RECORD_TITLE: Portoamide D; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1073/pnas.0914343107
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 174
+CH$NAME: Portoamide D
+CH$NAME: 3-((6R,9S,15S,18R,20aS,25aS,34R,40aS,E)-18-((S)-sec-butyl)-12-ethylidene-37-hydroxy-9-((R)-1-hydroxyethyl)-15-(hydroxymethyl)-5,8,11,14,17,20,25,30,33,36,40-undecaoxo-6-phenethyl-38-(2,4,5-trihydroxy-7-methyloctyl)octatriacontahydro-1H,25H-tripyrrolo[1,2-b1:1`,2`-g:1``,2``-j][1,4,7,10,13,16,19,22,25,28,31]undecaazacyclotetratriacontin-34-yl)propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C61H94N12O18
+CH$EXACT_MASS: 1282.680904
+CH$SMILES: O=C([C@@H](CCC(N)=O)NC1=O)NCC(N2[C@@H](CCC2)C(N3[C@@H](CCC3)C(N[C@H]([C@@H](C)CC)C(N[C@@H](CO)C(N/C(C(N[C@@H]([C@@H](C)O)C(N[C@H](CCC4=CC=CC=C4)C(N5[C@@H](CCC5)C(NC(CC(O)CC(O)C(O)CC(C)C)C1O)=O)=O)=O)=O)=C/C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C61H94N12O18/c1-7-33(5)49-57(87)68-41(31-74)54(84)64-37(8-2)53(83)70-50(34(6)75)58(88)66-39(21-20-35-15-10-9-11-16-35)60(90)72-25-12-17-42(72)55(85)67-40(28-36(76)29-46(78)45(77)27-32(3)4)51(81)59(89)65-38(22-23-47(62)79)52(82)63-30-48(80)71-24-14-19-44(71)61(91)73-26-13-18-43(73)56(86)69-49/h8-11,15-16,32-34,36,38-46,49-51,74-78,81H,7,12-14,17-31H2,1-6H3,(H2,62,79)(H,63,82)(H,64,84)(H,65,89)(H,66,88)(H,67,85)(H,68,87)(H,69,86)(H,70,83)/b37-8+/t33-,34+,36?,38+,39+,40?,41-,42-,43-,44-,45?,46?,49+,50-,51?/m0/s1
+CH$LINK: PUBCHEM CID:146683716
+CH$LINK: INCHIKEY OCPKVHKLLYWOOG-FIAGRJNLSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1328
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.762 min
+MS$FOCUSED_ION: BASE_PEAK 1327.6794
+MS$FOCUSED_ION: PRECURSOR_M/Z 1281.6736
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0w4i-2900000000-535f1f4f3c4ef18a1964
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  66.035 C4H4N- 1 66.0349 0.68
+  73.0407 C2H5N2O- 1 73.0407 -0.99
+  81.0346 C5H5O- 1 81.0346 0.21
+  82.0299 C4H4NO- 1 82.0298 0.44
+  83.0251 C3H3N2O- 1 83.0251 0.29
+  84.0091 C3H2NO2- 1 84.0091 -0.55
+  85.0409 C3H5N2O- 1 85.0407 1.45
+  91.0553 C7H7- 1 91.0553 -0.17
+  99.02 C3H3N2O2- 1 99.02 0.03
+  109.0405 C5H5N2O- 1 109.0407 -1.78
+  111.0199 C4H3N2O2- 1 111.02 -1.22
+  111.0563 C5H7N2O- 1 111.0564 -0.96
+  113.0358 C4H5N2O2- 1 113.0357 0.97
+  113.072 C5H9N2O- 1 113.072 -0.45
+  114.0558 C5H8NO2- 1 114.0561 -2.13
+  121.0406 C6H5N2O- 1 121.0407 -1.38
+  123.0564 C6H7N2O- 1 123.0564 0.06
+  124.0406 C6H6NO2- 1 124.0404 1.58
+  125.0355 C5H5N2O2- 1 125.0357 -0.87
+  125.0721 C6H9N2O- 1 125.072 0.65
+  127.0512 C5H7N2O2- 1 127.0513 -0.61
+  129.1033 C6H13N2O- 1 129.1033 0.09
+  139.0513 C6H7N2O2- 1 139.0513 0.08
+  153.0666 C7H9N2O2- 1 153.067 -2.11
+PK$NUM_PEAK: 24
+PK$PEAK: m/z int. rel.int.
+  66.035 40640.2 66
+  73.0407 168901.8 277
+  81.0346 30563.5 50
+  82.0299 88712.6 145
+  83.0251 67856.6 111
+  84.0091 92436.8 151
+  85.0409 31462.4 51
+  91.0553 69530.2 114
+  99.02 75699.1 124
+  109.0405 88776 145
+  111.0199 51184 84
+  111.0563 133866.8 219
+  113.0358 58832.2 96
+  113.072 448051 735
+  114.0558 66403.3 109
+  121.0406 107332.5 176
+  123.0564 88049.3 144
+  124.0406 62473.7 102
+  125.0355 202386.2 332
+  125.0721 42008.6 68
+  127.0512 176204.6 289
+  129.1033 54652.5 89
+  139.0513 112182.1 184
+  153.0666 608355.8 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC026001.txt b/Eawag/MSBNK-EAWAG-EC026001.txt
new file mode 100644
index 0000000000..19160a407f
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC026001.txt
@@ -0,0 +1,49 @@
+ACCESSION: MSBNK-EAWAG-EC026001
+RECORD_TITLE: Muscoride B; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], D. Fewer [dtc], J. Jokela [dtc], M. Wahlsten [dtc], T. Shishido [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 260
+CH$NAME: Muscoride B
+CH$NAME: 3-methylbut-2-enyl 2-[5-methyl-2-[2-[(2S)-1-[(2S,3S)-3-methyl-2-(3-methylbut-2-enylamino)pentanoyl]pyrrolidin-2-yl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H41N5O6
+CH$EXACT_MASS: 579.305684
+CH$SMILES: O=C([C@@H](NC/C=C(C)\C)[C@H](CC)C)N1CCC[C@H]1C2=NC(C3=NC(C4=NC(C(OC/C=C(C)/C)=O)=CO4)=C(O3)C)=CO2
+CH$IUPAC: InChI=1S/C31H41N5O6/c1-8-20(6)25(32-13-11-18(2)3)30(37)36-14-9-10-24(36)28-33-22(16-40-28)27-35-26(21(7)42-27)29-34-23(17-41-29)31(38)39-15-12-19(4)5/h11-12,16-17,20,24-25,32H,8-10,13-15H2,1-7H3/t20-,24-,25-/m0/s1
+CH$LINK: PUBCHEM CID:146682347
+CH$LINK: INCHIKEY RYLVRVUEEVJKJO-OPXMRZJTSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-613
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.819 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 580.313
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-03e9-0000090000-d1568fab7dc06a207859
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  154.1594 C10H20N+ 1 154.159 2.11
+  444.1879 C21H26N5O6+ 1 444.1878 0.38
+  512.2504 C26H34N5O6+ 1 512.2504 0.12
+  580.313 C31H42N5O6+ 1 580.313 0.12
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  154.1594 16506.7 10
+  444.1879 45161.3 28
+  512.2504 1571033.2 999
+  580.313 1441237.2 916
+//
diff --git a/Eawag/MSBNK-EAWAG-EC026002.txt b/Eawag/MSBNK-EAWAG-EC026002.txt
new file mode 100644
index 0000000000..9661d9379e
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC026002.txt
@@ -0,0 +1,57 @@
+ACCESSION: MSBNK-EAWAG-EC026002
+RECORD_TITLE: Muscoride B; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], D. Fewer [dtc], J. Jokela [dtc], M. Wahlsten [dtc], T. Shishido [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 260
+CH$NAME: Muscoride B
+CH$NAME: 3-methylbut-2-enyl 2-[5-methyl-2-[2-[(2S)-1-[(2S,3S)-3-methyl-2-(3-methylbut-2-enylamino)pentanoyl]pyrrolidin-2-yl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H41N5O6
+CH$EXACT_MASS: 579.305684
+CH$SMILES: O=C([C@@H](NC/C=C(C)\C)[C@H](CC)C)N1CCC[C@H]1C2=NC(C3=NC(C4=NC(C(OC/C=C(C)/C)=O)=CO4)=C(O3)C)=CO2
+CH$IUPAC: InChI=1S/C31H41N5O6/c1-8-20(6)25(32-13-11-18(2)3)30(37)36-14-9-10-24(36)28-33-22(16-40-28)27-35-26(21(7)42-27)29-34-23(17-41-29)31(38)39-15-12-19(4)5/h11-12,16-17,20,24-25,32H,8-10,13-15H2,1-7H3/t20-,24-,25-/m0/s1
+CH$LINK: PUBCHEM CID:146682347
+CH$LINK: INCHIKEY RYLVRVUEEVJKJO-OPXMRZJTSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-613
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.819 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 580.313
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-03di-0001190000-d2fecd6cbdca03861d87
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  69.0698 C5H9+ 1 69.0699 -0.64
+  70.0652 C4H8N+ 1 70.0651 0.9
+  154.1588 C10H20N+ 1 154.159 -1.46
+  331.1036 C15H15N4O5+ 2 331.1037 -0.16
+  399.1665 C20H23N4O5+ 2 399.1663 0.45
+  444.1877 C21H26N5O6+ 1 444.1878 -0.17
+  512.2504 C26H34N5O6+ 1 512.2504 0.12
+  580.3131 C31H42N5O6+ 1 580.313 0.22
+PK$NUM_PEAK: 8
+PK$PEAK: m/z int. rel.int.
+  69.0698 28873.1 13
+  70.0652 33211.7 15
+  154.1588 51135.9 24
+  331.1036 228938.5 110
+  399.1665 64906.2 31
+  444.1877 418366.7 201
+  512.2504 2077234.9 999
+  580.3131 239589.7 115
+//
diff --git a/Eawag/MSBNK-EAWAG-EC026003.txt b/Eawag/MSBNK-EAWAG-EC026003.txt
new file mode 100644
index 0000000000..d4e3c32bb8
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC026003.txt
@@ -0,0 +1,59 @@
+ACCESSION: MSBNK-EAWAG-EC026003
+RECORD_TITLE: Muscoride B; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], D. Fewer [dtc], J. Jokela [dtc], M. Wahlsten [dtc], T. Shishido [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 260
+CH$NAME: Muscoride B
+CH$NAME: 3-methylbut-2-enyl 2-[5-methyl-2-[2-[(2S)-1-[(2S,3S)-3-methyl-2-(3-methylbut-2-enylamino)pentanoyl]pyrrolidin-2-yl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H41N5O6
+CH$EXACT_MASS: 579.305684
+CH$SMILES: O=C([C@@H](NC/C=C(C)\C)[C@H](CC)C)N1CCC[C@H]1C2=NC(C3=NC(C4=NC(C(OC/C=C(C)/C)=O)=CO4)=C(O3)C)=CO2
+CH$IUPAC: InChI=1S/C31H41N5O6/c1-8-20(6)25(32-13-11-18(2)3)30(37)36-14-9-10-24(36)28-33-22(16-40-28)27-35-26(21(7)42-27)29-34-23(17-41-29)31(38)39-15-12-19(4)5/h11-12,16-17,20,24-25,32H,8-10,13-15H2,1-7H3/t20-,24-,25-/m0/s1
+CH$LINK: PUBCHEM CID:146682347
+CH$LINK: INCHIKEY RYLVRVUEEVJKJO-OPXMRZJTSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-613
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.819 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 580.313
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-03ec-5009680000-3590fd3e6e0fb6aa52a8
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  69.0699 C5H9+ 1 69.0699 0.13
+  70.0651 C4H8N+ 1 70.0651 -0.3
+  86.0964 C5H12N+ 1 86.0964 -0.59
+  154.1589 C10H20N+ 1 154.159 -0.86
+  262.0459 C11H8N3O5+ 2 262.0458 0.34
+  331.1038 C15H15N4O5+ 2 331.1037 0.21
+  399.1667 C20H23N4O5+ 2 399.1663 1.14
+  444.1877 C21H26N5O6+ 1 444.1878 -0.17
+  512.2504 C26H34N5O6+ 1 512.2504 0.01
+PK$NUM_PEAK: 9
+PK$PEAK: m/z int. rel.int.
+  69.0699 132465.5 142
+  70.0651 306906.7 330
+  86.0964 114219 123
+  154.1589 95931.8 103
+  262.0459 62999.7 67
+  331.1038 902377.9 972
+  399.1667 89508 96
+  444.1877 722819.7 779
+  512.2504 926689.8 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC026004.txt b/Eawag/MSBNK-EAWAG-EC026004.txt
new file mode 100644
index 0000000000..171acc4ead
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC026004.txt
@@ -0,0 +1,57 @@
+ACCESSION: MSBNK-EAWAG-EC026004
+RECORD_TITLE: Muscoride B; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], D. Fewer [dtc], J. Jokela [dtc], M. Wahlsten [dtc], T. Shishido [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 260
+CH$NAME: Muscoride B
+CH$NAME: 3-methylbut-2-enyl 2-[5-methyl-2-[2-[(2S)-1-[(2S,3S)-3-methyl-2-(3-methylbut-2-enylamino)pentanoyl]pyrrolidin-2-yl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H41N5O6
+CH$EXACT_MASS: 579.305684
+CH$SMILES: O=C([C@@H](NC/C=C(C)\C)[C@H](CC)C)N1CCC[C@H]1C2=NC(C3=NC(C4=NC(C(OC/C=C(C)/C)=O)=CO4)=C(O3)C)=CO2
+CH$IUPAC: InChI=1S/C31H41N5O6/c1-8-20(6)25(32-13-11-18(2)3)30(37)36-14-9-10-24(36)28-33-22(16-40-28)27-35-26(21(7)42-27)29-34-23(17-41-29)31(38)39-15-12-19(4)5/h11-12,16-17,20,24-25,32H,8-10,13-15H2,1-7H3/t20-,24-,25-/m0/s1
+CH$LINK: PUBCHEM CID:146682347
+CH$LINK: INCHIKEY RYLVRVUEEVJKJO-OPXMRZJTSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-613
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.819 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 580.313
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0089-9015210000-8e18b7fd2ce55cb7c48b
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  69.0699 C5H9+ 1 69.0699 -0.31
+  70.0651 C4H8N+ 1 70.0651 -0.08
+  86.0964 C5H12N+ 1 86.0964 -0.06
+  154.1588 C10H20N+ 1 154.159 -1.36
+  262.0457 C11H8N3O5+ 1 262.0458 -0.59
+  331.1037 C15H15N4O5+ 2 331.1037 0.03
+  444.188 C21H26N5O6+ 1 444.1878 0.45
+  512.2498 C26H34N5O6+ 1 512.2504 -1.07
+PK$NUM_PEAK: 8
+PK$PEAK: m/z int. rel.int.
+  69.0699 247277.6 261
+  70.0651 916973.8 969
+  86.0964 267886.4 283
+  154.1588 106449.7 112
+  262.0457 212861.3 225
+  331.1037 945030.2 999
+  444.188 350044.9 370
+  512.2498 164217.8 173
+//
diff --git a/Eawag/MSBNK-EAWAG-EC026005.txt b/Eawag/MSBNK-EAWAG-EC026005.txt
new file mode 100644
index 0000000000..8884d88a02
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC026005.txt
@@ -0,0 +1,53 @@
+ACCESSION: MSBNK-EAWAG-EC026005
+RECORD_TITLE: Muscoride B; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], D. Fewer [dtc], J. Jokela [dtc], M. Wahlsten [dtc], T. Shishido [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 260
+CH$NAME: Muscoride B
+CH$NAME: 3-methylbut-2-enyl 2-[5-methyl-2-[2-[(2S)-1-[(2S,3S)-3-methyl-2-(3-methylbut-2-enylamino)pentanoyl]pyrrolidin-2-yl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H41N5O6
+CH$EXACT_MASS: 579.305684
+CH$SMILES: O=C([C@@H](NC/C=C(C)\C)[C@H](CC)C)N1CCC[C@H]1C2=NC(C3=NC(C4=NC(C(OC/C=C(C)/C)=O)=CO4)=C(O3)C)=CO2
+CH$IUPAC: InChI=1S/C31H41N5O6/c1-8-20(6)25(32-13-11-18(2)3)30(37)36-14-9-10-24(36)28-33-22(16-40-28)27-35-26(21(7)42-27)29-34-23(17-41-29)31(38)39-15-12-19(4)5/h11-12,16-17,20,24-25,32H,8-10,13-15H2,1-7H3/t20-,24-,25-/m0/s1
+CH$LINK: PUBCHEM CID:146682347
+CH$LINK: INCHIKEY RYLVRVUEEVJKJO-OPXMRZJTSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-613
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.819 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 580.313
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-00di-9010000000-c4734d5ac13728fe41fd
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  69.0698 C5H9+ 1 69.0699 -0.75
+  70.0651 C4H8N+ 1 70.0651 -0.74
+  86.0964 C5H12N+ 1 86.0964 -0.86
+  154.1586 C10H20N+ 1 154.159 -2.84
+  262.0456 C11H8N3O5+ 1 262.0458 -1.05
+  331.1035 C15H15N4O5+ 2 331.1037 -0.71
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  69.0698 483910.8 269
+  70.0651 1794707.2 999
+  86.0964 561143.8 312
+  154.1586 84089.2 46
+  262.0456 475944.9 264
+  331.1035 147638.7 82
+//
diff --git a/Eawag/MSBNK-EAWAG-EC026006.txt b/Eawag/MSBNK-EAWAG-EC026006.txt
new file mode 100644
index 0000000000..f6522ad132
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC026006.txt
@@ -0,0 +1,51 @@
+ACCESSION: MSBNK-EAWAG-EC026006
+RECORD_TITLE: Muscoride B; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], D. Fewer [dtc], J. Jokela [dtc], M. Wahlsten [dtc], T. Shishido [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 260
+CH$NAME: Muscoride B
+CH$NAME: 3-methylbut-2-enyl 2-[5-methyl-2-[2-[(2S)-1-[(2S,3S)-3-methyl-2-(3-methylbut-2-enylamino)pentanoyl]pyrrolidin-2-yl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H41N5O6
+CH$EXACT_MASS: 579.305684
+CH$SMILES: O=C([C@@H](NC/C=C(C)\C)[C@H](CC)C)N1CCC[C@H]1C2=NC(C3=NC(C4=NC(C(OC/C=C(C)/C)=O)=CO4)=C(O3)C)=CO2
+CH$IUPAC: InChI=1S/C31H41N5O6/c1-8-20(6)25(32-13-11-18(2)3)30(37)36-14-9-10-24(36)28-33-22(16-40-28)27-35-26(21(7)42-27)29-34-23(17-41-29)31(38)39-15-12-19(4)5/h11-12,16-17,20,24-25,32H,8-10,13-15H2,1-7H3/t20-,24-,25-/m0/s1
+CH$LINK: PUBCHEM CID:146682347
+CH$LINK: INCHIKEY RYLVRVUEEVJKJO-OPXMRZJTSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-613
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.819 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 580.313
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-00di-9010000000-36385bc8253088ad2ffd
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  69.0698 C5H9+ 1 69.0699 -0.53
+  70.0651 C4H8N+ 1 70.0651 -0.52
+  86.0964 C5H12N+ 1 86.0964 -0.77
+  154.1589 C10H20N+ 1 154.159 -0.57
+  262.0456 C11H8N3O5+ 1 262.0458 -0.82
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  69.0698 481508 305
+  70.0651 1576799.5 999
+  86.0964 593132.8 375
+  154.1589 18275.1 11
+  262.0456 498417 315
+//
diff --git a/Eawag/MSBNK-EAWAG-EC026007.txt b/Eawag/MSBNK-EAWAG-EC026007.txt
new file mode 100644
index 0000000000..2e38f697fb
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC026007.txt
@@ -0,0 +1,51 @@
+ACCESSION: MSBNK-EAWAG-EC026007
+RECORD_TITLE: Muscoride B; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], D. Fewer [dtc], J. Jokela [dtc], M. Wahlsten [dtc], T. Shishido [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 260
+CH$NAME: Muscoride B
+CH$NAME: 3-methylbut-2-enyl 2-[5-methyl-2-[2-[(2S)-1-[(2S,3S)-3-methyl-2-(3-methylbut-2-enylamino)pentanoyl]pyrrolidin-2-yl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H41N5O6
+CH$EXACT_MASS: 579.305684
+CH$SMILES: O=C([C@@H](NC/C=C(C)\C)[C@H](CC)C)N1CCC[C@H]1C2=NC(C3=NC(C4=NC(C(OC/C=C(C)/C)=O)=CO4)=C(O3)C)=CO2
+CH$IUPAC: InChI=1S/C31H41N5O6/c1-8-20(6)25(32-13-11-18(2)3)30(37)36-14-9-10-24(36)28-33-22(16-40-28)27-35-26(21(7)42-27)29-34-23(17-41-29)31(38)39-15-12-19(4)5/h11-12,16-17,20,24-25,32H,8-10,13-15H2,1-7H3/t20-,24-,25-/m0/s1
+CH$LINK: PUBCHEM CID:146682347
+CH$LINK: INCHIKEY RYLVRVUEEVJKJO-OPXMRZJTSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-613
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.819 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 580.313
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-00di-9010000000-7e746b491515935f9183
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  69.0698 C5H9+ 1 69.0699 -0.64
+  70.0651 C4H8N+ 1 70.0651 -0.84
+  86.0964 C5H12N+ 1 86.0964 -0.68
+  188.0452 C9H6N3O2+ 1 188.0455 -1.29
+  262.0455 C11H8N3O5+ 1 262.0458 -1.17
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  69.0698 480846.5 341
+  70.0651 1407820.2 999
+  86.0964 454849 322
+  188.0452 29737.8 21
+  262.0455 420906.2 298
+//
diff --git a/Eawag/MSBNK-EAWAG-EC026008.txt b/Eawag/MSBNK-EAWAG-EC026008.txt
new file mode 100644
index 0000000000..ae1331bd86
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC026008.txt
@@ -0,0 +1,53 @@
+ACCESSION: MSBNK-EAWAG-EC026008
+RECORD_TITLE: Muscoride B; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], D. Fewer [dtc], J. Jokela [dtc], M. Wahlsten [dtc], T. Shishido [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 260
+CH$NAME: Muscoride B
+CH$NAME: 3-methylbut-2-enyl 2-[5-methyl-2-[2-[(2S)-1-[(2S,3S)-3-methyl-2-(3-methylbut-2-enylamino)pentanoyl]pyrrolidin-2-yl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H41N5O6
+CH$EXACT_MASS: 579.305684
+CH$SMILES: O=C([C@@H](NC/C=C(C)\C)[C@H](CC)C)N1CCC[C@H]1C2=NC(C3=NC(C4=NC(C(OC/C=C(C)/C)=O)=CO4)=C(O3)C)=CO2
+CH$IUPAC: InChI=1S/C31H41N5O6/c1-8-20(6)25(32-13-11-18(2)3)30(37)36-14-9-10-24(36)28-33-22(16-40-28)27-35-26(21(7)42-27)29-34-23(17-41-29)31(38)39-15-12-19(4)5/h11-12,16-17,20,24-25,32H,8-10,13-15H2,1-7H3/t20-,24-,25-/m0/s1
+CH$LINK: PUBCHEM CID:146682347
+CH$LINK: INCHIKEY RYLVRVUEEVJKJO-OPXMRZJTSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-613
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.819 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 580.313
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-00di-9010000000-a20892422d31d69d4dd4
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  69.0698 C5H9+ 1 69.0699 -0.75
+  70.0651 C4H8N+ 1 70.0651 -0.84
+  86.0964 C5H12N+ 1 86.0964 -0.86
+  188.0453 C9H6N3O2+ 1 188.0455 -0.8
+  216.0398 C10H6N3O3+ 1 216.0404 -2.48
+  262.0457 C11H8N3O5+ 1 262.0458 -0.71
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  69.0698 451584.7 371
+  70.0651 1214182.9 999
+  86.0964 345838 284
+  188.0453 75596.8 62
+  216.0398 33307.6 27
+  262.0457 229771.2 189
+//
diff --git a/Eawag/MSBNK-EAWAG-EC026009.txt b/Eawag/MSBNK-EAWAG-EC026009.txt
new file mode 100644
index 0000000000..704870066d
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC026009.txt
@@ -0,0 +1,55 @@
+ACCESSION: MSBNK-EAWAG-EC026009
+RECORD_TITLE: Muscoride B; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], D. Fewer [dtc], J. Jokela [dtc], M. Wahlsten [dtc], T. Shishido [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 260
+CH$NAME: Muscoride B
+CH$NAME: 3-methylbut-2-enyl 2-[5-methyl-2-[2-[(2S)-1-[(2S,3S)-3-methyl-2-(3-methylbut-2-enylamino)pentanoyl]pyrrolidin-2-yl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H41N5O6
+CH$EXACT_MASS: 579.305684
+CH$SMILES: O=C([C@@H](NC/C=C(C)\C)[C@H](CC)C)N1CCC[C@H]1C2=NC(C3=NC(C4=NC(C(OC/C=C(C)/C)=O)=CO4)=C(O3)C)=CO2
+CH$IUPAC: InChI=1S/C31H41N5O6/c1-8-20(6)25(32-13-11-18(2)3)30(37)36-14-9-10-24(36)28-33-22(16-40-28)27-35-26(21(7)42-27)29-34-23(17-41-29)31(38)39-15-12-19(4)5/h11-12,16-17,20,24-25,32H,8-10,13-15H2,1-7H3/t20-,24-,25-/m0/s1
+CH$LINK: PUBCHEM CID:146682347
+CH$LINK: INCHIKEY RYLVRVUEEVJKJO-OPXMRZJTSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-613
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.819 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 580.313
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-00di-9000000000-3d628afc11eea2f7133c
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  69.0698 C5H9+ 1 69.0699 -0.75
+  70.0651 C4H8N+ 1 70.0651 -0.95
+  86.0963 C5H12N+ 1 86.0964 -1.12
+  95.0241 C4H3N2O+ 1 95.024 1.48
+  188.045 C9H6N3O2+ 1 188.0455 -2.34
+  216.0406 C10H6N3O3+ 1 216.0404 1.12
+  262.0448 C11H8N3O5+ 1 262.0458 -4.08
+PK$NUM_PEAK: 7
+PK$PEAK: m/z int. rel.int.
+  69.0698 415671.5 383
+  70.0651 1083446.9 999
+  86.0963 245643 226
+  95.0241 29679.9 27
+  188.045 136609.6 125
+  216.0406 19738 18
+  262.0448 75464.6 69
+//
diff --git a/Eawag/MSBNK-EAWAG-EC026601.txt b/Eawag/MSBNK-EAWAG-EC026601.txt
new file mode 100644
index 0000000000..8dd9bac610
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC026601.txt
@@ -0,0 +1,86 @@
+ACCESSION: MSBNK-EAWAG-EC026601
+RECORD_TITLE: Anabaenolysin A; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], D. Fewer [dtc], J. Jokela [dtc], M. Wahlsten [dtc], T. Shishido [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://dx.plos.org/10.1371/journal.pone.0041222
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 266
+CH$NAME: Anabaenolysin A
+CH$NAME: 6,16-dihydroxy-7-((2E,4E,6E,10E,12E)-pentadeca-2,4,6,10,12-pentaen-1-yl)decahydro-2H-furo[3,2-l][1,4,7,11]tetraazacyclopentadecine-2,5,9,12,15(3H,6H)-pentaone
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C28H38N4O8
+CH$EXACT_MASS: 558.2689642
+CH$SMILES: OC(C(NC(CNC(CNC1=O)=O)=O)C/C=C/C=C/C=C/CC/C=C/C=C/CC)C(NC2CC(OC2C1O)=O)=O
+CH$IUPAC: InChI=1S/C28H38N4O8/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-24(36)28(39)32-20-16-23(35)40-26(20)25(37)27(38)30-17-21(33)29-18-22(34)31-19/h3-6,9-14,19-20,24-26,36-37H,2,7-8,15-18H2,1H3,(H,29,33)(H,30,38)(H,31,34)(H,32,39)/b4-3+,6-5+,10-9+,12-11+,14-13+
+CH$LINK: PUBCHEM CID:146683737
+CH$LINK: INCHIKEY XQWGCUIJOHQMPI-FLYMKIDMSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-591
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 12.848 min
+MS$FOCUSED_ION: BASE_PEAK 559.276
+MS$FOCUSED_ION: PRECURSOR_M/Z 559.2762
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0a4i-0022190000-7a2404d1c07a34f82341
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  75.0552 C2H7N2O+ 1 75.0553 -1.5
+  95.0856 C7H11+ 1 95.0855 0.76
+  225.1639 C17H21+ 1 225.1638 0.48
+  230.1907 C16H24N+ 1 230.1903 1.73
+  242.1906 C17H24N+ 1 242.1903 1.04
+  253.1588 C18H21O+ 1 253.1587 0.38
+  260.201 C17H26NO+ 1 260.2009 0.4
+  270.185 C16H22N4+ 2 270.1839 4.16
+  271.1692 C18H23O2+ 2 271.1693 -0.04
+  272.0882 C10H14N3O6+ 2 272.0877 1.89
+  288.1959 C18H26NO2+ 2 288.1958 0.23
+  289.1143 C10H17N4O6+ 2 289.1143 0.24
+  317.2226 C19H29N2O2+ 1 317.2224 0.78
+  357.1049 C13H17N4O8+ 1 357.1041 2.4
+  397.1353 C16H21N4O8+ 2 397.1354 -0.11
+  411.1518 C17H23N4O8+ 1 411.151 1.78
+  465.1976 C21H29N4O8+ 1 465.198 -0.8
+  485.228 C26H33N2O7+ 1 485.2282 -0.47
+  513.2726 C27H37N4O6+ 1 513.2708 3.66
+  531.2819 C27H39N4O7+ 1 531.2813 1.03
+  541.2659 C28H37N4O7+ 1 541.2657 0.39
+  559.2765 C28H39N4O8+ 1 559.2762 0.39
+PK$NUM_PEAK: 22
+PK$PEAK: m/z int. rel.int.
+  75.0552 8035.6 10
+  95.0856 13508.8 17
+  225.1639 28412.6 36
+  230.1907 10545.2 13
+  242.1906 23549.9 30
+  253.1588 153960.1 196
+  260.201 44392.9 56
+  270.185 11376.7 14
+  271.1692 13097.1 16
+  272.0882 29372.1 37
+  288.1959 8537.6 10
+  289.1143 24519.9 31
+  317.2226 9242.9 11
+  357.1049 10133.4 12
+  397.1353 215478.6 274
+  411.1518 9565.3 12
+  465.1976 89818.9 114
+  485.228 19202 24
+  513.2726 31910 40
+  531.2819 101923.3 129
+  541.2659 138015.3 175
+  559.2765 783825.9 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC026602.txt b/Eawag/MSBNK-EAWAG-EC026602.txt
new file mode 100644
index 0000000000..cda8e4d57e
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC026602.txt
@@ -0,0 +1,66 @@
+ACCESSION: MSBNK-EAWAG-EC026602
+RECORD_TITLE: Anabaenolysin A; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], D. Fewer [dtc], J. Jokela [dtc], M. Wahlsten [dtc], T. Shishido [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://dx.plos.org/10.1371/journal.pone.0041222
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 266
+CH$NAME: Anabaenolysin A
+CH$NAME: 6,16-dihydroxy-7-((2E,4E,6E,10E,12E)-pentadeca-2,4,6,10,12-pentaen-1-yl)decahydro-2H-furo[3,2-l][1,4,7,11]tetraazacyclopentadecine-2,5,9,12,15(3H,6H)-pentaone
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C28H38N4O8
+CH$EXACT_MASS: 558.2689642
+CH$SMILES: OC(C(NC(CNC(CNC1=O)=O)=O)C/C=C/C=C/C=C/CC/C=C/C=C/CC)C(NC2CC(OC2C1O)=O)=O
+CH$IUPAC: InChI=1S/C28H38N4O8/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-24(36)28(39)32-20-16-23(35)40-26(20)25(37)27(38)30-17-21(33)29-18-22(34)31-19/h3-6,9-14,19-20,24-26,36-37H,2,7-8,15-18H2,1H3,(H,29,33)(H,30,38)(H,31,34)(H,32,39)/b4-3+,6-5+,10-9+,12-11+,14-13+
+CH$LINK: PUBCHEM CID:146683737
+CH$LINK: INCHIKEY XQWGCUIJOHQMPI-FLYMKIDMSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-591
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 12.848 min
+MS$FOCUSED_ION: BASE_PEAK 559.276
+MS$FOCUSED_ION: PRECURSOR_M/Z 559.2762
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0pba-1073190000-e02adca14ae244cf5bc9
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  95.0856 C7H11+ 1 95.0855 0.6
+  225.1641 C17H21+ 1 225.1638 1.3
+  242.1898 C17H24N+ 1 242.1903 -2.3
+  244.0924 C9H14N3O5+ 1 244.0928 -1.5
+  253.1586 C18H21O+ 2 253.1587 -0.4
+  260.2014 C17H26NO+ 1 260.2009 1.81
+  397.1353 C16H21N4O8+ 2 397.1354 -0.19
+  447.1873 C21H27N4O7+ 2 447.1874 -0.23
+  465.1987 C21H29N4O8+ 1 465.198 1.43
+  531.2822 C27H39N4O7+ 1 531.2813 1.6
+  541.2656 C28H37N4O7+ 1 541.2657 -0.17
+  559.2769 C28H39N4O8+ 1 559.2762 1.15
+PK$NUM_PEAK: 12
+PK$PEAK: m/z int. rel.int.
+  95.0856 58346 185
+  225.1641 60553.1 192
+  242.1898 52362.1 166
+  244.0924 44404.5 141
+  253.1586 184391.4 587
+  260.2014 76836 244
+  397.1353 203530.4 648
+  447.1873 13970 44
+  465.1987 66315.7 211
+  531.2822 83244.2 265
+  541.2656 90850.6 289
+  559.2769 313660.9 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC026651.txt b/Eawag/MSBNK-EAWAG-EC026651.txt
new file mode 100644
index 0000000000..5768bcc8d4
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC026651.txt
@@ -0,0 +1,52 @@
+ACCESSION: MSBNK-EAWAG-EC026651
+RECORD_TITLE: Anabaenolysin A; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M-H]-; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], D. Fewer [dtc], J. Jokela [dtc], M. Wahlsten [dtc], T. Shishido [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://dx.plos.org/10.1371/journal.pone.0041222
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 266
+CH$NAME: Anabaenolysin A
+CH$NAME: 6,16-dihydroxy-7-((2E,4E,6E,10E,12E)-pentadeca-2,4,6,10,12-pentaen-1-yl)decahydro-2H-furo[3,2-l][1,4,7,11]tetraazacyclopentadecine-2,5,9,12,15(3H,6H)-pentaone
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C28H38N4O8
+CH$EXACT_MASS: 558.2689642
+CH$SMILES: OC(C(NC(CNC(CNC1=O)=O)=O)C/C=C/C=C/C=C/CC/C=C/C=C/CC)C(NC2CC(OC2C1O)=O)=O
+CH$IUPAC: InChI=1S/C28H38N4O8/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-24(36)28(39)32-20-16-23(35)40-26(20)25(37)27(38)30-17-21(33)29-18-22(34)31-19/h3-6,9-14,19-20,24-26,36-37H,2,7-8,15-18H2,1H3,(H,29,33)(H,30,38)(H,31,34)(H,32,39)/b4-3+,6-5+,10-9+,12-11+,14-13+
+CH$LINK: PUBCHEM CID:146683737
+CH$LINK: INCHIKEY XQWGCUIJOHQMPI-FLYMKIDMSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-589
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 12.835 min
+MS$FOCUSED_ION: BASE_PEAK 603.2676
+MS$FOCUSED_ION: PRECURSOR_M/Z 557.2617
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0a4i-0000390000-69cb5143fc49d60eb768
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  443.2306 C23H31N4O5- 2 443.23 1.4
+  473.2401 C24H33N4O6- 2 473.2406 -0.87
+  513.2718 C27H37N4O6- 1 513.2719 -0.09
+  539.2508 C28H35N4O7- 1 539.2511 -0.63
+  557.2615 C28H37N4O8- 1 557.2617 -0.3
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  443.2306 18413 14
+  473.2401 499326.7 398
+  513.2718 102692.2 81
+  539.2508 135099.1 107
+  557.2615 1252130 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC026652.txt b/Eawag/MSBNK-EAWAG-EC026652.txt
new file mode 100644
index 0000000000..262bb34e13
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC026652.txt
@@ -0,0 +1,54 @@
+ACCESSION: MSBNK-EAWAG-EC026652
+RECORD_TITLE: Anabaenolysin A; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M-H]-; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], D. Fewer [dtc], J. Jokela [dtc], M. Wahlsten [dtc], T. Shishido [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://dx.plos.org/10.1371/journal.pone.0041222
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 266
+CH$NAME: Anabaenolysin A
+CH$NAME: 6,16-dihydroxy-7-((2E,4E,6E,10E,12E)-pentadeca-2,4,6,10,12-pentaen-1-yl)decahydro-2H-furo[3,2-l][1,4,7,11]tetraazacyclopentadecine-2,5,9,12,15(3H,6H)-pentaone
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C28H38N4O8
+CH$EXACT_MASS: 558.2689642
+CH$SMILES: OC(C(NC(CNC(CNC1=O)=O)=O)C/C=C/C=C/C=C/CC/C=C/C=C/CC)C(NC2CC(OC2C1O)=O)=O
+CH$IUPAC: InChI=1S/C28H38N4O8/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-24(36)28(39)32-20-16-23(35)40-26(20)25(37)27(38)30-17-21(33)29-18-22(34)31-19/h3-6,9-14,19-20,24-26,36-37H,2,7-8,15-18H2,1H3,(H,29,33)(H,30,38)(H,31,34)(H,32,39)/b4-3+,6-5+,10-9+,12-11+,14-13+
+CH$LINK: PUBCHEM CID:146683737
+CH$LINK: INCHIKEY XQWGCUIJOHQMPI-FLYMKIDMSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-589
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 12.835 min
+MS$FOCUSED_ION: BASE_PEAK 603.2676
+MS$FOCUSED_ION: PRECURSOR_M/Z 557.2617
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-00di-0000960000-37b8d1fb38176edd0ee9
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  142.0621 C5H8N3O2- 1 142.0622 -0.83
+  429.249 C22H37O8- 3 429.2494 -0.83
+  473.2402 C24H33N4O6- 2 473.2406 -0.81
+  513.2714 C27H37N4O6- 1 513.2719 -0.92
+  539.2501 C28H35N4O7- 1 539.2511 -1.88
+  557.2616 C28H37N4O8- 1 557.2617 -0.08
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  142.0621 32987.3 39
+  429.249 43813.7 52
+  473.2402 832421.2 999
+  513.2714 177435.2 212
+  539.2501 130409.2 156
+  557.2616 311380 373
+//
diff --git a/Eawag/MSBNK-EAWAG-EC026653.txt b/Eawag/MSBNK-EAWAG-EC026653.txt
new file mode 100644
index 0000000000..1c79028508
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC026653.txt
@@ -0,0 +1,60 @@
+ACCESSION: MSBNK-EAWAG-EC026653
+RECORD_TITLE: Anabaenolysin A; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M-H]-; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], D. Fewer [dtc], J. Jokela [dtc], M. Wahlsten [dtc], T. Shishido [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://dx.plos.org/10.1371/journal.pone.0041222
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 266
+CH$NAME: Anabaenolysin A
+CH$NAME: 6,16-dihydroxy-7-((2E,4E,6E,10E,12E)-pentadeca-2,4,6,10,12-pentaen-1-yl)decahydro-2H-furo[3,2-l][1,4,7,11]tetraazacyclopentadecine-2,5,9,12,15(3H,6H)-pentaone
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C28H38N4O8
+CH$EXACT_MASS: 558.2689642
+CH$SMILES: OC(C(NC(CNC(CNC1=O)=O)=O)C/C=C/C=C/C=C/CC/C=C/C=C/CC)C(NC2CC(OC2C1O)=O)=O
+CH$IUPAC: InChI=1S/C28H38N4O8/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-24(36)28(39)32-20-16-23(35)40-26(20)25(37)27(38)30-17-21(33)29-18-22(34)31-19/h3-6,9-14,19-20,24-26,36-37H,2,7-8,15-18H2,1H3,(H,29,33)(H,30,38)(H,31,34)(H,32,39)/b4-3+,6-5+,10-9+,12-11+,14-13+
+CH$LINK: PUBCHEM CID:146683737
+CH$LINK: INCHIKEY XQWGCUIJOHQMPI-FLYMKIDMSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-589
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 12.835 min
+MS$FOCUSED_ION: BASE_PEAK 603.2676
+MS$FOCUSED_ION: PRECURSOR_M/Z 557.2617
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-00di-0400900000-0892e90cc8a6ac944f22
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  99.0202 C3H3N2O2- 1 99.02 2.28
+  142.0619 C5H8N3O2- 1 142.0622 -2.33
+  156.0408 C5H6N3O3- 1 156.0415 -4.17
+  186.0514 C6H8N3O4- 1 186.052 -3.36
+  243.1748 C17H23O- 2 243.1754 -2.46
+  429.2495 C22H37O8- 3 429.2494 0.31
+  443.2292 C23H31N4O5- 3 443.23 -1.9
+  473.2403 C24H33N4O6- 2 473.2406 -0.62
+  539.2515 C28H35N4O7- 1 539.2511 0.61
+PK$NUM_PEAK: 9
+PK$PEAK: m/z int. rel.int.
+  99.0202 28175.1 45
+  142.0619 144517.4 233
+  156.0408 73641.5 119
+  186.0514 163187.4 263
+  243.1748 25660.8 41
+  429.2495 57067.4 92
+  443.2292 54134 87
+  473.2403 618083.6 999
+  539.2515 49565.9 80
+//
diff --git a/Eawag/MSBNK-EAWAG-EC026654.txt b/Eawag/MSBNK-EAWAG-EC026654.txt
new file mode 100644
index 0000000000..c5dd5157b9
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC026654.txt
@@ -0,0 +1,68 @@
+ACCESSION: MSBNK-EAWAG-EC026654
+RECORD_TITLE: Anabaenolysin A; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M-H]-; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], D. Fewer [dtc], J. Jokela [dtc], M. Wahlsten [dtc], T. Shishido [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://dx.plos.org/10.1371/journal.pone.0041222
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 266
+CH$NAME: Anabaenolysin A
+CH$NAME: 6,16-dihydroxy-7-((2E,4E,6E,10E,12E)-pentadeca-2,4,6,10,12-pentaen-1-yl)decahydro-2H-furo[3,2-l][1,4,7,11]tetraazacyclopentadecine-2,5,9,12,15(3H,6H)-pentaone
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C28H38N4O8
+CH$EXACT_MASS: 558.2689642
+CH$SMILES: OC(C(NC(CNC(CNC1=O)=O)=O)C/C=C/C=C/C=C/CC/C=C/C=C/CC)C(NC2CC(OC2C1O)=O)=O
+CH$IUPAC: InChI=1S/C28H38N4O8/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-24(36)28(39)32-20-16-23(35)40-26(20)25(37)27(38)30-17-21(33)29-18-22(34)31-19/h3-6,9-14,19-20,24-26,36-37H,2,7-8,15-18H2,1H3,(H,29,33)(H,30,38)(H,31,34)(H,32,39)/b4-3+,6-5+,10-9+,12-11+,14-13+
+CH$LINK: PUBCHEM CID:146683737
+CH$LINK: INCHIKEY XQWGCUIJOHQMPI-FLYMKIDMSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-589
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 12.835 min
+MS$FOCUSED_ION: BASE_PEAK 603.2676
+MS$FOCUSED_ION: PRECURSOR_M/Z 557.2617
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-05bu-1920200000-8fcd68cf695a76f1fbd2
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  95.0139 C5H3O2- 1 95.0139 0.43
+  99.0197 C3H3N2O2- 1 99.02 -2.65
+  142.0618 C5H8N3O2- 1 142.0622 -2.76
+  156.0412 C5H6N3O3- 1 156.0415 -1.43
+  158.0564 C5H8N3O3- 1 158.0571 -4.59
+  169.0249 C6H5N2O4- 1 169.0255 -3.67
+  182.0929 C8H12N3O2- 1 182.0935 -3.21
+  186.0511 C6H8N3O4- 1 186.052 -4.84
+  213.062 C6H13O8- 2 213.0616 1.74
+  226.0823 C9H12N3O4- 1 226.0833 -4.64
+  243.1746 C15H21N3- 2 243.1741 1.93
+  429.25 C22H37O8- 4 429.2494 1.52
+  473.2407 C24H33N4O6- 2 473.2406 0.35
+PK$NUM_PEAK: 13
+PK$PEAK: m/z int. rel.int.
+  95.0139 45392.1 167
+  99.0197 69048.3 254
+  142.0618 258642.2 953
+  156.0412 90453.4 333
+  158.0564 46129.8 170
+  169.0249 33939.9 125
+  182.0929 34653.8 127
+  186.0511 270976 999
+  213.062 14954.2 55
+  226.0823 139195.7 513
+  243.1746 33467.8 123
+  429.25 19415 71
+  473.2407 188275.8 694
+//
diff --git a/Eawag/MSBNK-EAWAG-EC026655.txt b/Eawag/MSBNK-EAWAG-EC026655.txt
new file mode 100644
index 0000000000..75f21bc474
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC026655.txt
@@ -0,0 +1,60 @@
+ACCESSION: MSBNK-EAWAG-EC026655
+RECORD_TITLE: Anabaenolysin A; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M-H]-; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], D. Fewer [dtc], J. Jokela [dtc], M. Wahlsten [dtc], T. Shishido [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://dx.plos.org/10.1371/journal.pone.0041222
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 266
+CH$NAME: Anabaenolysin A
+CH$NAME: 6,16-dihydroxy-7-((2E,4E,6E,10E,12E)-pentadeca-2,4,6,10,12-pentaen-1-yl)decahydro-2H-furo[3,2-l][1,4,7,11]tetraazacyclopentadecine-2,5,9,12,15(3H,6H)-pentaone
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C28H38N4O8
+CH$EXACT_MASS: 558.2689642
+CH$SMILES: OC(C(NC(CNC(CNC1=O)=O)=O)C/C=C/C=C/C=C/CC/C=C/C=C/CC)C(NC2CC(OC2C1O)=O)=O
+CH$IUPAC: InChI=1S/C28H38N4O8/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-24(36)28(39)32-20-16-23(35)40-26(20)25(37)27(38)30-17-21(33)29-18-22(34)31-19/h3-6,9-14,19-20,24-26,36-37H,2,7-8,15-18H2,1H3,(H,29,33)(H,30,38)(H,31,34)(H,32,39)/b4-3+,6-5+,10-9+,12-11+,14-13+
+CH$LINK: PUBCHEM CID:146683737
+CH$LINK: INCHIKEY XQWGCUIJOHQMPI-FLYMKIDMSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-589
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 12.835 min
+MS$FOCUSED_ION: BASE_PEAK 603.2676
+MS$FOCUSED_ION: PRECURSOR_M/Z 557.2617
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0007-2900000000-3a1d05914c2df3549023
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  95.0139 C5H3O2- 1 95.0139 0.43
+  99.0199 C3H3N2O2- 1 99.02 -0.88
+  140.0461 C5H6N3O2- 1 140.0466 -3.55
+  142.0618 C5H8N3O2- 1 142.0622 -2.87
+  156.0411 C5H6N3O3- 1 156.0415 -2.41
+  158.0566 C5H8N3O3- 1 158.0571 -3.05
+  169.0247 C6H5N2O4- 1 169.0255 -4.48
+  186.0511 C6H8N3O4- 1 186.052 -4.76
+  208.0721 C9H10N3O3- 1 208.0728 -2.96
+PK$NUM_PEAK: 9
+PK$PEAK: m/z int. rel.int.
+  95.0139 67337.2 219
+  99.0199 137837 449
+  140.0461 47967.1 156
+  142.0618 306221.8 999
+  156.0411 82202.1 268
+  158.0566 62539.7 204
+  169.0247 26120.3 85
+  186.0511 159011.9 518
+  208.0721 29332.3 95
+//
diff --git a/Eawag/MSBNK-EAWAG-EC026656.txt b/Eawag/MSBNK-EAWAG-EC026656.txt
new file mode 100644
index 0000000000..d5adbb0284
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC026656.txt
@@ -0,0 +1,66 @@
+ACCESSION: MSBNK-EAWAG-EC026656
+RECORD_TITLE: Anabaenolysin A; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M-H]-; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], D. Fewer [dtc], J. Jokela [dtc], M. Wahlsten [dtc], T. Shishido [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://dx.plos.org/10.1371/journal.pone.0041222
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 266
+CH$NAME: Anabaenolysin A
+CH$NAME: 6,16-dihydroxy-7-((2E,4E,6E,10E,12E)-pentadeca-2,4,6,10,12-pentaen-1-yl)decahydro-2H-furo[3,2-l][1,4,7,11]tetraazacyclopentadecine-2,5,9,12,15(3H,6H)-pentaone
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C28H38N4O8
+CH$EXACT_MASS: 558.2689642
+CH$SMILES: OC(C(NC(CNC(CNC1=O)=O)=O)C/C=C/C=C/C=C/CC/C=C/C=C/CC)C(NC2CC(OC2C1O)=O)=O
+CH$IUPAC: InChI=1S/C28H38N4O8/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-24(36)28(39)32-20-16-23(35)40-26(20)25(37)27(38)30-17-21(33)29-18-22(34)31-19/h3-6,9-14,19-20,24-26,36-37H,2,7-8,15-18H2,1H3,(H,29,33)(H,30,38)(H,31,34)(H,32,39)/b4-3+,6-5+,10-9+,12-11+,14-13+
+CH$LINK: PUBCHEM CID:146683737
+CH$LINK: INCHIKEY XQWGCUIJOHQMPI-FLYMKIDMSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-589
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 12.835 min
+MS$FOCUSED_ION: BASE_PEAK 603.2676
+MS$FOCUSED_ION: PRECURSOR_M/Z 557.2617
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0005-5900000000-5be185c089abe22331f3
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  71.025 C2H3N2O- 1 71.0251 -0.98
+  86.0249 C3H4NO2- 1 86.0248 1.52
+  95.0137 C5H3O2- 1 95.0139 -1.18
+  99.0199 C3H3N2O2- 1 99.02 -1.34
+  111.0204 C4H3N2O2- 1 111.02 3.16
+  112.0517 C4H6N3O- 1 112.0516 0.64
+  113.0356 C4H5N2O2- 1 113.0357 -0.66
+  130.062 C4H8N3O2- 1 130.0622 -1.41
+  140.0462 C5H6N3O2- 1 140.0466 -2.79
+  142.062 C5H8N3O2- 1 142.0622 -1.69
+  156.0408 C5H6N3O3- 1 156.0415 -4.17
+  168.0409 C6H6N3O3- 1 168.0415 -3.23
+PK$NUM_PEAK: 12
+PK$PEAK: m/z int. rel.int.
+  71.025 15559.7 75
+  86.0249 26405.1 128
+  95.0137 75598.4 367
+  99.0199 205770.6 999
+  111.0204 18774.5 91
+  112.0517 28988.3 140
+  113.0356 46774.9 227
+  130.062 98915.4 480
+  140.0462 95122.6 461
+  142.062 154408.5 749
+  156.0408 59692.2 289
+  168.0409 44807.3 217
+//
diff --git a/Eawag/MSBNK-EAWAG-EC026657.txt b/Eawag/MSBNK-EAWAG-EC026657.txt
new file mode 100644
index 0000000000..7881ef8f37
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC026657.txt
@@ -0,0 +1,64 @@
+ACCESSION: MSBNK-EAWAG-EC026657
+RECORD_TITLE: Anabaenolysin A; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M-H]-; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], D. Fewer [dtc], J. Jokela [dtc], M. Wahlsten [dtc], T. Shishido [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://dx.plos.org/10.1371/journal.pone.0041222
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 266
+CH$NAME: Anabaenolysin A
+CH$NAME: 6,16-dihydroxy-7-((2E,4E,6E,10E,12E)-pentadeca-2,4,6,10,12-pentaen-1-yl)decahydro-2H-furo[3,2-l][1,4,7,11]tetraazacyclopentadecine-2,5,9,12,15(3H,6H)-pentaone
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C28H38N4O8
+CH$EXACT_MASS: 558.2689642
+CH$SMILES: OC(C(NC(CNC(CNC1=O)=O)=O)C/C=C/C=C/C=C/CC/C=C/C=C/CC)C(NC2CC(OC2C1O)=O)=O
+CH$IUPAC: InChI=1S/C28H38N4O8/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-24(36)28(39)32-20-16-23(35)40-26(20)25(37)27(38)30-17-21(33)29-18-22(34)31-19/h3-6,9-14,19-20,24-26,36-37H,2,7-8,15-18H2,1H3,(H,29,33)(H,30,38)(H,31,34)(H,32,39)/b4-3+,6-5+,10-9+,12-11+,14-13+
+CH$LINK: PUBCHEM CID:146683737
+CH$LINK: INCHIKEY XQWGCUIJOHQMPI-FLYMKIDMSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-589
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 12.835 min
+MS$FOCUSED_ION: BASE_PEAK 603.2676
+MS$FOCUSED_ION: PRECURSOR_M/Z 557.2617
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0005-9500000000-9a1ba045530807282a4b
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  41.9985 CNO- 1 41.9985 -0.2
+  71.0249 C2H3N2O- 1 71.0251 -2.48
+  73.0407 C2H5N2O- 1 73.0407 0.17
+  86.0246 C3H4NO2- 1 86.0248 -1.58
+  95.0137 C5H3O2- 1 95.0139 -1.42
+  99.0199 C3H3N2O2- 1 99.02 -1.34
+  112.0041 C4H2NO3- 1 112.004 0.88
+  113.0357 C4H5N2O2- 1 113.0357 0.22
+  130.062 C4H8N3O2- 1 130.0622 -1.41
+  140.0463 C5H6N3O2- 1 140.0466 -2.13
+  142.0621 C5H8N3O2- 1 142.0622 -1.05
+PK$NUM_PEAK: 11
+PK$PEAK: m/z int. rel.int.
+  41.9985 26937.3 151
+  71.0249 17263.3 97
+  73.0407 32750.3 184
+  86.0246 33645 189
+  95.0137 82986.6 467
+  99.0199 177507.3 999
+  112.0041 20011.4 112
+  113.0357 49184.7 276
+  130.062 60703.1 341
+  140.0463 70021 394
+  142.0621 43944.8 247
+//
diff --git a/Eawag/MSBNK-EAWAG-EC026658.txt b/Eawag/MSBNK-EAWAG-EC026658.txt
new file mode 100644
index 0000000000..fe05fb7d6c
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC026658.txt
@@ -0,0 +1,64 @@
+ACCESSION: MSBNK-EAWAG-EC026658
+RECORD_TITLE: Anabaenolysin A; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M-H]-; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], D. Fewer [dtc], J. Jokela [dtc], M. Wahlsten [dtc], T. Shishido [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://dx.plos.org/10.1371/journal.pone.0041222
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 266
+CH$NAME: Anabaenolysin A
+CH$NAME: 6,16-dihydroxy-7-((2E,4E,6E,10E,12E)-pentadeca-2,4,6,10,12-pentaen-1-yl)decahydro-2H-furo[3,2-l][1,4,7,11]tetraazacyclopentadecine-2,5,9,12,15(3H,6H)-pentaone
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C28H38N4O8
+CH$EXACT_MASS: 558.2689642
+CH$SMILES: OC(C(NC(CNC(CNC1=O)=O)=O)C/C=C/C=C/C=C/CC/C=C/C=C/CC)C(NC2CC(OC2C1O)=O)=O
+CH$IUPAC: InChI=1S/C28H38N4O8/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-24(36)28(39)32-20-16-23(35)40-26(20)25(37)27(38)30-17-21(33)29-18-22(34)31-19/h3-6,9-14,19-20,24-26,36-37H,2,7-8,15-18H2,1H3,(H,29,33)(H,30,38)(H,31,34)(H,32,39)/b4-3+,6-5+,10-9+,12-11+,14-13+
+CH$LINK: PUBCHEM CID:146683737
+CH$LINK: INCHIKEY XQWGCUIJOHQMPI-FLYMKIDMSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-589
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 12.835 min
+MS$FOCUSED_ION: BASE_PEAK 603.2676
+MS$FOCUSED_ION: PRECURSOR_M/Z 557.2617
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0002-9300000000-abce07a124299eca29dc
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  41.9984 CNO- 1 41.9985 -2.74
+  58.0299 C2H4NO- 1 58.0298 0.84
+  72.0092 C2H2NO2- 1 72.0091 0.85
+  73.0408 C2H5N2O- 1 73.0407 0.38
+  86.0246 C3H4NO2- 1 86.0248 -2.29
+  95.0136 C5H3O2- 1 95.0139 -2.54
+  99.0198 C3H3N2O2- 1 99.02 -1.88
+  113.0356 C4H5N2O2- 1 113.0357 -0.86
+  128.0465 C4H6N3O2- 1 128.0466 -0.16
+  130.0623 C4H8N3O2- 1 130.0622 0.7
+  140.0461 C5H6N3O2- 1 140.0466 -3.12
+PK$NUM_PEAK: 11
+PK$PEAK: m/z int. rel.int.
+  41.9984 31294.7 242
+  58.0299 22164 171
+  72.0092 30948.5 239
+  73.0408 54931.3 425
+  86.0246 32365.7 250
+  95.0136 70745.6 548
+  99.0198 128826.9 999
+  113.0356 45965.5 356
+  128.0465 25100 194
+  130.0623 45717 354
+  140.0461 45163.7 350
+//
diff --git a/Eawag/MSBNK-EAWAG-EC046701.txt b/Eawag/MSBNK-EAWAG-EC046701.txt
new file mode 100644
index 0000000000..c4da9c1654
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC046701.txt
@@ -0,0 +1,44 @@
+ACCESSION: MSBNK-EAWAG-EC046701
+RECORD_TITLE: Cyanopeptolin CP1048; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md16070220
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 467
+CH$NAME: Cyanopeptolin CP1048
+CH$NAME: 4-((2-benzyl-15-(3-guanidinopropyl)-21-hydroxy-5-(4-hydroxyphenethyl)-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-octanamido-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H76N10O13
+CH$EXACT_MASS: 1048.559332
+CH$SMILES: O=C(NC(C(NC(C(NC(CCCNC(N)=N)C(NC1C(N(C(C(N(C(C(NC2C(C)C)=O)CCC3=CC=C(O)C=C3)C)=O)CC4=CC=CC=C4)C(O)CC1)=O)=O)=O)C(OC2=O)C)=O)CC(O)=O)CCCCCCC
+CH$IUPAC: InChI=1S/C52H76N10O13/c1-6-7-8-9-13-18-40(64)56-37(29-42(66)67)46(69)60-44-31(4)75-51(74)43(30(2)3)59-47(70)38(25-21-32-19-22-34(63)23-20-32)61(5)50(73)39(28-33-15-11-10-12-16-33)62-41(65)26-24-36(49(62)72)58-45(68)35(57-48(44)71)17-14-27-55-52(53)54/h10-12,15-16,19-20,22-23,30-31,35-39,41,43-44,63,65H,6-9,13-14,17-18,21,24-29H2,1-5H3,(H,56,64)(H,57,71)(H,58,68)(H,59,70)(H,60,69)(H,66,67)(H4,53,54,55)
+CH$LINK: PUBCHEM CID:146684844
+CH$LINK: INCHIKEY VYXPXPDSGOMRCH-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1092
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.933 min
+MS$FOCUSED_ION: BASE_PEAK 1049.5657
+MS$FOCUSED_ION: PRECURSOR_M/Z 1049.5666
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0002-9000000000-720cb870a50b4449ba88
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  1049.5668 C52H77N10O13+ 1 1049.5666 0.19
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  1049.5668 65069196 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC046702.txt b/Eawag/MSBNK-EAWAG-EC046702.txt
new file mode 100644
index 0000000000..937297170e
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC046702.txt
@@ -0,0 +1,46 @@
+ACCESSION: MSBNK-EAWAG-EC046702
+RECORD_TITLE: Cyanopeptolin CP1048; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md16070220
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 467
+CH$NAME: Cyanopeptolin CP1048
+CH$NAME: 4-((2-benzyl-15-(3-guanidinopropyl)-21-hydroxy-5-(4-hydroxyphenethyl)-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-octanamido-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H76N10O13
+CH$EXACT_MASS: 1048.559332
+CH$SMILES: O=C(NC(C(NC(C(NC(CCCNC(N)=N)C(NC1C(N(C(C(N(C(C(NC2C(C)C)=O)CCC3=CC=C(O)C=C3)C)=O)CC4=CC=CC=C4)C(O)CC1)=O)=O)=O)C(OC2=O)C)=O)CC(O)=O)CCCCCCC
+CH$IUPAC: InChI=1S/C52H76N10O13/c1-6-7-8-9-13-18-40(64)56-37(29-42(66)67)46(69)60-44-31(4)75-51(74)43(30(2)3)59-47(70)38(25-21-32-19-22-34(63)23-20-32)61(5)50(73)39(28-33-15-11-10-12-16-33)62-41(65)26-24-36(49(62)72)58-45(68)35(57-48(44)71)17-14-27-55-52(53)54/h10-12,15-16,19-20,22-23,30-31,35-39,41,43-44,63,65H,6-9,13-14,17-18,21,24-29H2,1-5H3,(H,56,64)(H,57,71)(H,58,68)(H,59,70)(H,60,69)(H,66,67)(H4,53,54,55)
+CH$LINK: PUBCHEM CID:146684844
+CH$LINK: INCHIKEY VYXPXPDSGOMRCH-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1092
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.933 min
+MS$FOCUSED_ION: BASE_PEAK 1049.5657
+MS$FOCUSED_ION: PRECURSOR_M/Z 1049.5666
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0002-9000000000-86be67f1b334d1905a88
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  1031.5545 C52H75N10O12+ 1 1031.556 -1.52
+  1049.5669 C52H77N10O13+ 1 1049.5666 0.3
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  1031.5545 5199376.5 149
+  1049.5669 34657212 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC046703.txt b/Eawag/MSBNK-EAWAG-EC046703.txt
new file mode 100644
index 0000000000..ab41d8a38b
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC046703.txt
@@ -0,0 +1,54 @@
+ACCESSION: MSBNK-EAWAG-EC046703
+RECORD_TITLE: Cyanopeptolin CP1048; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md16070220
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 467
+CH$NAME: Cyanopeptolin CP1048
+CH$NAME: 4-((2-benzyl-15-(3-guanidinopropyl)-21-hydroxy-5-(4-hydroxyphenethyl)-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-octanamido-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H76N10O13
+CH$EXACT_MASS: 1048.559332
+CH$SMILES: O=C(NC(C(NC(C(NC(CCCNC(N)=N)C(NC1C(N(C(C(N(C(C(NC2C(C)C)=O)CCC3=CC=C(O)C=C3)C)=O)CC4=CC=CC=C4)C(O)CC1)=O)=O)=O)C(OC2=O)C)=O)CC(O)=O)CCCCCCC
+CH$IUPAC: InChI=1S/C52H76N10O13/c1-6-7-8-9-13-18-40(64)56-37(29-42(66)67)46(69)60-44-31(4)75-51(74)43(30(2)3)59-47(70)38(25-21-32-19-22-34(63)23-20-32)61(5)50(73)39(28-33-15-11-10-12-16-33)62-41(65)26-24-36(49(62)72)58-45(68)35(57-48(44)71)17-14-27-55-52(53)54/h10-12,15-16,19-20,22-23,30-31,35-39,41,43-44,63,65H,6-9,13-14,17-18,21,24-29H2,1-5H3,(H,56,64)(H,57,71)(H,58,68)(H,59,70)(H,60,69)(H,66,67)(H4,53,54,55)
+CH$LINK: PUBCHEM CID:146684844
+CH$LINK: INCHIKEY VYXPXPDSGOMRCH-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1092
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.933 min
+MS$FOCUSED_ION: BASE_PEAK 1049.5657
+MS$FOCUSED_ION: PRECURSOR_M/Z 1049.5666
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0532-9000100050-654992857e7dfef33253
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  164.1069 C10H14NO+ 1 164.107 -0.68
+  243.1128 C14H15N2O2+ 3 243.1128 0.18
+  434.2068 C23H26N6O3+ 8 434.2061 1.52
+  808.4361 C42H60N6O10+ 9 808.4365 -0.51
+  1031.5548 C52H75N10O12+ 1 1031.556 -1.17
+  1049.5664 C52H77N10O13+ 1 1049.5666 -0.16
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  164.1069 2127970.8 144
+  243.1128 972113.8 66
+  434.2068 5081940.5 346
+  808.4361 13924065 948
+  1031.5548 9315676 634
+  1049.5664 14669737 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC046704.txt b/Eawag/MSBNK-EAWAG-EC046704.txt
new file mode 100644
index 0000000000..9734ad8030
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC046704.txt
@@ -0,0 +1,66 @@
+ACCESSION: MSBNK-EAWAG-EC046704
+RECORD_TITLE: Cyanopeptolin CP1048; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md16070220
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 467
+CH$NAME: Cyanopeptolin CP1048
+CH$NAME: 4-((2-benzyl-15-(3-guanidinopropyl)-21-hydroxy-5-(4-hydroxyphenethyl)-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-octanamido-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H76N10O13
+CH$EXACT_MASS: 1048.559332
+CH$SMILES: O=C(NC(C(NC(C(NC(CCCNC(N)=N)C(NC1C(N(C(C(N(C(C(NC2C(C)C)=O)CCC3=CC=C(O)C=C3)C)=O)CC4=CC=CC=C4)C(O)CC1)=O)=O)=O)C(OC2=O)C)=O)CC(O)=O)CCCCCCC
+CH$IUPAC: InChI=1S/C52H76N10O13/c1-6-7-8-9-13-18-40(64)56-37(29-42(66)67)46(69)60-44-31(4)75-51(74)43(30(2)3)59-47(70)38(25-21-32-19-22-34(63)23-20-32)61(5)50(73)39(28-33-15-11-10-12-16-33)62-41(65)26-24-36(49(62)72)58-45(68)35(57-48(44)71)17-14-27-55-52(53)54/h10-12,15-16,19-20,22-23,30-31,35-39,41,43-44,63,65H,6-9,13-14,17-18,21,24-29H2,1-5H3,(H,56,64)(H,57,71)(H,58,68)(H,59,70)(H,60,69)(H,66,67)(H4,53,54,55)
+CH$LINK: PUBCHEM CID:146684844
+CH$LINK: INCHIKEY VYXPXPDSGOMRCH-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1092
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.933 min
+MS$FOCUSED_ION: BASE_PEAK 1049.5657
+MS$FOCUSED_ION: PRECURSOR_M/Z 1049.5666
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-06si-3961800070-d6cf8d4e681f802eb811
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  70.0652 C4H8N+ 1 70.0651 1.22
+  138.0662 C6H8N3O+ 1 138.0662 0.31
+  164.1069 C10H14NO+ 1 164.107 -0.4
+  223.1191 C10H15N4O2+ 1 223.119 0.88
+  241.1293 C10H17N4O3+ 3 241.1295 -0.84
+  242.1393 C12H20NO4+ 2 242.1387 2.45
+  243.1128 C14H15N2O2+ 3 243.1128 0.12
+  322.1448 C6H22N6O9+ 4 322.1443 1.57
+  339.1694 C4H23N10O8+ 6 339.1695 -0.13
+  434.2076 C25H28N3O4+ 6 434.2074 0.47
+  808.437 C42H60N6O10+ 9 808.4365 0.62
+  1049.5657 C52H77N10O13+ 1 1049.5666 -0.86
+PK$NUM_PEAK: 12
+PK$PEAK: m/z int. rel.int.
+  70.0652 1420924.4 117
+  138.0662 441560.8 36
+  164.1069 11916277 983
+  223.1191 2032713.1 167
+  241.1293 1013711.9 83
+  242.1393 436459.2 36
+  243.1128 5460920.5 450
+  322.1448 976888.6 80
+  339.1694 1134119.6 93
+  434.2076 12109712 999
+  808.437 9927742 818
+  1049.5657 3110498 256
+//
diff --git a/Eawag/MSBNK-EAWAG-EC046705.txt b/Eawag/MSBNK-EAWAG-EC046705.txt
new file mode 100644
index 0000000000..75e97f24c9
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC046705.txt
@@ -0,0 +1,120 @@
+ACCESSION: MSBNK-EAWAG-EC046705
+RECORD_TITLE: Cyanopeptolin CP1048; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md16070220
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 467
+CH$NAME: Cyanopeptolin CP1048
+CH$NAME: 4-((2-benzyl-15-(3-guanidinopropyl)-21-hydroxy-5-(4-hydroxyphenethyl)-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-octanamido-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H76N10O13
+CH$EXACT_MASS: 1048.559332
+CH$SMILES: O=C(NC(C(NC(C(NC(CCCNC(N)=N)C(NC1C(N(C(C(N(C(C(NC2C(C)C)=O)CCC3=CC=C(O)C=C3)C)=O)CC4=CC=CC=C4)C(O)CC1)=O)=O)=O)C(OC2=O)C)=O)CC(O)=O)CCCCCCC
+CH$IUPAC: InChI=1S/C52H76N10O13/c1-6-7-8-9-13-18-40(64)56-37(29-42(66)67)46(69)60-44-31(4)75-51(74)43(30(2)3)59-47(70)38(25-21-32-19-22-34(63)23-20-32)61(5)50(73)39(28-33-15-11-10-12-16-33)62-41(65)26-24-36(49(62)72)58-45(68)35(57-48(44)71)17-14-27-55-52(53)54/h10-12,15-16,19-20,22-23,30-31,35-39,41,43-44,63,65H,6-9,13-14,17-18,21,24-29H2,1-5H3,(H,56,64)(H,57,71)(H,58,68)(H,59,70)(H,60,69)(H,66,67)(H4,53,54,55)
+CH$LINK: PUBCHEM CID:146684844
+CH$LINK: INCHIKEY VYXPXPDSGOMRCH-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1092
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.933 min
+MS$FOCUSED_ION: BASE_PEAK 1049.5657
+MS$FOCUSED_ION: PRECURSOR_M/Z 1049.5666
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-03k9-2941000000-fab77590ac2da579f7ee
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  68.0495 C4H6N+ 1 68.0495 0.32
+  70.0651 C4H8N+ 1 70.0651 0.14
+  72.0808 C4H10N+ 1 72.0808 -0.14
+  74.0601 C3H8NO+ 1 74.06 0.53
+  84.0445 C4H6NO+ 1 84.0444 1.15
+  88.0395 C3H6NO2+ 1 88.0393 1.65
+  112.0869 C5H10N3+ 1 112.0869 -0.19
+  113.0709 C5H9N2O+ 1 113.0709 -0.53
+  114.0548 C5H8NO2+ 1 114.055 -1.67
+  115.0867 C5H11N2O+ 1 115.0866 0.62
+  120.0807 C8H10N+ 1 120.0808 -0.43
+  121.0651 C8H9O+ 1 121.0648 2.51
+  138.0661 C6H8N3O+ 1 138.0662 -0.35
+  140.0816 C6H10N3O+ 1 140.0818 -1.9
+  146.0961 C10H12N+ 1 146.0964 -2.32
+  157.1081 C6H13N4O+ 1 157.1084 -1.84
+  158.0963 C11H12N+ 1 158.0964 -0.48
+  164.1069 C10H14NO+ 1 164.107 -0.77
+  179.1289 C9H15N4+ 1 179.1291 -1.01
+  187.1228 C12H15N2+ 1 187.123 -0.92
+  192.1016 C11H14NO2+ 1 192.1019 -1.49
+  197.1034 C8H13N4O2+ 1 197.1033 0.66
+  199.0712 C8H11N2O4+ 1 199.0713 -0.57
+  215.1179 C13H15N2O+ 2 215.1179 -0.18
+  216.0972 C8H14N3O4+ 2 216.0979 -3.35
+  223.1189 C10H15N4O2+ 1 223.119 -0.35
+  226.0864 H14N6O8+ 2 226.0868 -1.6
+  240.1462 C12H20N2O3+ 2 240.1468 -2.71
+  241.1294 C10H17N4O3+ 1 241.1295 -0.52
+  242.1382 C12H20NO4+ 2 242.1387 -2.02
+  243.1126 C14H15N2O2+ 4 243.1128 -0.76
+  257.1716 C10H21N6O2+ 3 257.1721 -1.73
+  309.1804 H25N10O9+ 4 309.18 1.02
+  322.1443 C6H22N6O9+ 6 322.1443 -0.04
+  338.1461 C14H20N5O5+ 7 338.1459 0.58
+  339.1694 C4H23N10O8+ 6 339.1695 -0.22
+  361.1917 C10H33O13+ 6 361.1916 0.39
+  434.2075 C25H28N3O4+ 6 434.2074 0.12
+  464.2515 C23H30N9O2+ 7 464.2517 -0.4
+PK$NUM_PEAK: 39
+PK$PEAK: m/z int. rel.int.
+  68.0495 1294715.5 25
+  70.0651 18654374 370
+  72.0808 2083473.8 41
+  74.0601 1265586.8 25
+  84.0445 963831.6 19
+  88.0395 3612657.2 71
+  112.0869 8608184 170
+  113.0709 5800661.5 115
+  114.0548 866180.5 17
+  115.0867 2123227.8 42
+  120.0807 10700810 212
+  121.0651 2234332.8 44
+  138.0661 3287275.2 65
+  140.0816 725703.9 14
+  146.0961 1411336.4 28
+  157.1081 1137067.4 22
+  158.0963 2213851.8 43
+  164.1069 50339960 999
+  179.1289 997365.9 19
+  187.1228 5921848.5 117
+  192.1016 3787355 75
+  197.1034 3465983.8 68
+  199.0712 3197330.2 63
+  215.1179 15480882 307
+  216.0972 683606.5 13
+  223.1189 11340267 225
+  226.0864 1332951.2 26
+  240.1462 2533749.2 50
+  241.1294 4722991.5 93
+  242.1382 2913485.5 57
+  243.1126 11162752 221
+  257.1716 1352789.9 26
+  309.1804 4045282 80
+  322.1443 6297790 124
+  338.1461 4204586.5 83
+  339.1694 995383.6 19
+  361.1917 3564164.8 70
+  434.2075 4144299.5 82
+  464.2515 4721323 93
+//
diff --git a/Eawag/MSBNK-EAWAG-EC046706.txt b/Eawag/MSBNK-EAWAG-EC046706.txt
new file mode 100644
index 0000000000..85157ca0b7
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC046706.txt
@@ -0,0 +1,148 @@
+ACCESSION: MSBNK-EAWAG-EC046706
+RECORD_TITLE: Cyanopeptolin CP1048; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md16070220
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 467
+CH$NAME: Cyanopeptolin CP1048
+CH$NAME: 4-((2-benzyl-15-(3-guanidinopropyl)-21-hydroxy-5-(4-hydroxyphenethyl)-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-octanamido-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H76N10O13
+CH$EXACT_MASS: 1048.559332
+CH$SMILES: O=C(NC(C(NC(C(NC(CCCNC(N)=N)C(NC1C(N(C(C(N(C(C(NC2C(C)C)=O)CCC3=CC=C(O)C=C3)C)=O)CC4=CC=CC=C4)C(O)CC1)=O)=O)=O)C(OC2=O)C)=O)CC(O)=O)CCCCCCC
+CH$IUPAC: InChI=1S/C52H76N10O13/c1-6-7-8-9-13-18-40(64)56-37(29-42(66)67)46(69)60-44-31(4)75-51(74)43(30(2)3)59-47(70)38(25-21-32-19-22-34(63)23-20-32)61(5)50(73)39(28-33-15-11-10-12-16-33)62-41(65)26-24-36(49(62)72)58-45(68)35(57-48(44)71)17-14-27-55-52(53)54/h10-12,15-16,19-20,22-23,30-31,35-39,41,43-44,63,65H,6-9,13-14,17-18,21,24-29H2,1-5H3,(H,56,64)(H,57,71)(H,58,68)(H,59,70)(H,60,69)(H,66,67)(H4,53,54,55)
+CH$LINK: PUBCHEM CID:146684844
+CH$LINK: INCHIKEY VYXPXPDSGOMRCH-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1092
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.933 min
+MS$FOCUSED_ION: BASE_PEAK 1049.5657
+MS$FOCUSED_ION: PRECURSOR_M/Z 1049.5666
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0229-4910000000-2d6d87331e9cc856b90a
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  56.0494 C3H6N+ 1 56.0495 -1.29
+  57.0698 C4H9+ 1 57.0699 -1.06
+  68.0495 C4H6N+ 1 68.0495 0.43
+  70.0651 C4H8N+ 1 70.0651 -0.19
+  72.0807 C4H10N+ 1 72.0808 -0.88
+  74.06 C3H8NO+ 1 74.06 -1.01
+  84.0444 C4H6NO+ 1 84.0444 0.52
+  85.076 C4H9N2+ 1 85.076 0.16
+  86.0599 C4H8NO+ 1 86.06 -1.38
+  88.0393 C3H6NO2+ 1 88.0393 -0.6
+  91.0542 C7H7+ 1 91.0542 0.11
+  95.0603 C5H7N2+ 1 95.0604 -1.1
+  97.0758 C5H9N2+ 1 97.076 -1.86
+  101.0707 C4H9N2O+ 1 101.0709 -2.45
+  111.0553 C5H7N2O+ 1 111.0553 -0.01
+  112.0868 C5H10N3+ 1 112.0869 -0.67
+  113.0709 C5H9N2O+ 1 113.0709 -0.13
+  114.0551 C5H8NO2+ 1 114.055 1.4
+  114.1024 C5H12N3+ 1 114.1026 -1.51
+  115.0864 C5H11N2O+ 1 115.0866 -1.37
+  120.0807 C8H10N+ 1 120.0808 -0.62
+  121.0648 C8H9O+ 1 121.0648 0.24
+  125.0707 C6H9N2O+ 1 125.0709 -1.86
+  129.0662 C5H9N2O2+ 1 129.0659 2.63
+  135.0802 C9H11O+ 1 135.0804 -1.82
+  138.0662 C6H8N3O+ 1 138.0662 -0.13
+  139.0978 C6H11N4+ 1 139.0978 -0.4
+  140.082 C6H10N3O+ 1 140.0818 1.37
+  141.0655 C6H9N2O2+ 1 141.0659 -2.71
+  141.1018 C7H13N2O+ 1 141.1022 -2.88
+  146.0963 C10H12N+ 1 146.0964 -1.17
+  150.1025 C8H12N3+ 1 150.1026 -0.25
+  153.0659 C7H9N2O2+ 1 153.0659 0.53
+  153.1018 C8H13N2O+ 1 153.1022 -3.01
+  157.1084 C6H13N4O+ 1 157.1084 -0.09
+  158.0962 C11H12N+ 1 158.0964 -1.54
+  162.1025 C9H12N3+ 1 162.1026 -0.36
+  164.1068 C10H14NO+ 1 164.107 -1.05
+  166.0973 C8H12N3O+ 1 166.0975 -1.15
+  170.096 C12H12N+ 1 170.0964 -2.69
+  187.1229 C12H15N2+ 1 187.123 -0.43
+  192.1006 C9H12N4O+ 1 192.1006 0.34
+  197.104 C8H13N4O2+ 2 197.1033 3.37
+  199.0712 C8H11N2O4+ 1 199.0713 -0.57
+  208.1075 C10H14N3O2+ 2 208.1081 -2.78
+  215.1179 C13H15N2O+ 2 215.1179 -0.11
+  216.0981 C8H14N3O4+ 1 216.0979 1.1
+  223.1189 C10H15N4O2+ 1 223.119 -0.35
+  241.1293 C10H17N4O3+ 3 241.1295 -0.96
+  251.1136 C11H15N4O3+ 3 251.1139 -0.91
+  257.172 C10H21N6O2+ 3 257.1721 -0.3
+  263.1758 CH25N7O8+ 4 263.1759 -0.58
+  322.144 C20H20NO3+ 7 322.1438 0.77
+PK$NUM_PEAK: 53
+PK$PEAK: m/z int. rel.int.
+  56.0494 1650502.6 25
+  57.0698 1151356.8 17
+  68.0495 6199944 94
+  70.0651 44443236 674
+  72.0807 4830710.5 73
+  74.06 4073113.8 61
+  84.0444 3290167.5 49
+  85.076 1225325.5 18
+  86.0599 895043.4 13
+  88.0393 12693950 192
+  91.0542 1935460.1 29
+  95.0603 2378297.8 36
+  97.0758 985414.9 14
+  101.0707 1032348.1 15
+  111.0553 924380.6 14
+  112.0868 13104694 198
+  113.0709 9221603 139
+  114.0551 1237423.2 18
+  114.1024 1020764.9 15
+  115.0864 5468963 82
+  120.0807 25326632 384
+  121.0648 6788650 102
+  125.0707 844433.7 12
+  129.0662 970724.5 14
+  135.0802 2159239 32
+  138.0662 5319551.5 80
+  139.0978 678655.8 10
+  140.082 1663823.9 25
+  141.0655 1050104.1 15
+  141.1018 1084805.8 16
+  146.0963 3877799.5 58
+  150.1025 1149047.6 17
+  153.0659 4037389.8 61
+  153.1018 1721561.5 26
+  157.1084 2442217 37
+  158.0962 5713696 86
+  162.1025 1242475.9 18
+  164.1068 65871588 999
+  166.0973 1116209.2 16
+  170.096 7314402 110
+  187.1229 5332366 80
+  192.1006 4028502.5 61
+  197.104 2956101.8 44
+  199.0712 6024720 91
+  208.1075 1098865 16
+  215.1179 12421008 188
+  216.0981 2375782 36
+  223.1189 7826589 118
+  241.1293 3125177.5 47
+  251.1136 2104095.2 31
+  257.172 710151.4 10
+  263.1758 825913.2 12
+  322.144 6062657 91
+//
diff --git a/Eawag/MSBNK-EAWAG-EC046707.txt b/Eawag/MSBNK-EAWAG-EC046707.txt
new file mode 100644
index 0000000000..88b6851ba6
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC046707.txt
@@ -0,0 +1,174 @@
+ACCESSION: MSBNK-EAWAG-EC046707
+RECORD_TITLE: Cyanopeptolin CP1048; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md16070220
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 467
+CH$NAME: Cyanopeptolin CP1048
+CH$NAME: 4-((2-benzyl-15-(3-guanidinopropyl)-21-hydroxy-5-(4-hydroxyphenethyl)-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-octanamido-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H76N10O13
+CH$EXACT_MASS: 1048.559332
+CH$SMILES: O=C(NC(C(NC(C(NC(CCCNC(N)=N)C(NC1C(N(C(C(N(C(C(NC2C(C)C)=O)CCC3=CC=C(O)C=C3)C)=O)CC4=CC=CC=C4)C(O)CC1)=O)=O)=O)C(OC2=O)C)=O)CC(O)=O)CCCCCCC
+CH$IUPAC: InChI=1S/C52H76N10O13/c1-6-7-8-9-13-18-40(64)56-37(29-42(66)67)46(69)60-44-31(4)75-51(74)43(30(2)3)59-47(70)38(25-21-32-19-22-34(63)23-20-32)61(5)50(73)39(28-33-15-11-10-12-16-33)62-41(65)26-24-36(49(62)72)58-45(68)35(57-48(44)71)17-14-27-55-52(53)54/h10-12,15-16,19-20,22-23,30-31,35-39,41,43-44,63,65H,6-9,13-14,17-18,21,24-29H2,1-5H3,(H,56,64)(H,57,71)(H,58,68)(H,59,70)(H,60,69)(H,66,67)(H4,53,54,55)
+CH$LINK: PUBCHEM CID:146684844
+CH$LINK: INCHIKEY VYXPXPDSGOMRCH-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1092
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.933 min
+MS$FOCUSED_ION: BASE_PEAK 1049.5657
+MS$FOCUSED_ION: PRECURSOR_M/Z 1049.5666
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0229-5900000000-4efc4f4a9a2e7c0625bb
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  55.0542 C4H7+ 1 55.0542 0.17
+  56.0495 C3H6N+ 1 56.0495 0.68
+  57.0699 C4H9+ 1 57.0699 -0.46
+  68.0495 C4H6N+ 1 68.0495 0.1
+  69.0333 C4H5O+ 1 69.0335 -2.29
+  70.0651 C4H8N+ 1 70.0651 -0.19
+  71.0492 C4H7O+ 1 71.0491 0.61
+  72.0808 C4H10N+ 1 72.0808 0.39
+  74.06 C3H8NO+ 1 74.06 -0.39
+  80.0495 C5H6N+ 1 80.0495 0.19
+  84.0444 C4H6NO+ 1 84.0444 0.61
+  85.0759 C4H9N2+ 1 85.076 -1.81
+  86.06 C4H8NO+ 1 86.06 -0.49
+  88.0393 C3H6NO2+ 1 88.0393 0.18
+  91.0543 C7H7+ 1 91.0542 0.61
+  95.0604 C5H7N2+ 1 95.0604 0.34
+  96.0445 C5H6NO+ 1 96.0444 0.64
+  97.076 C5H9N2+ 1 97.076 -0.13
+  98.0601 C5H8NO+ 1 98.06 0.64
+  101.0711 C4H9N2O+ 1 101.0709 1.17
+  105.07 C8H9+ 1 105.0699 0.93
+  111.0554 C5H7N2O+ 1 111.0553 0.61
+  112.0393 C5H6NO2+ 1 112.0393 -0.02
+  112.0868 C5H10N3+ 1 112.0869 -0.8
+  113.0709 C5H9N2O+ 1 113.0709 -0.67
+  114.0549 C5H8NO2+ 1 114.055 -0.8
+  114.1024 C5H12N3+ 1 114.1026 -1.11
+  115.0866 C5H11N2O+ 1 115.0866 -0.24
+  120.0807 C8H10N+ 1 120.0808 -0.3
+  121.0648 C8H9O+ 1 121.0648 0.18
+  125.0712 C6H9N2O+ 1 125.0709 1.8
+  129.0661 C5H9N2O2+ 1 129.0659 1.81
+  132.0808 C9H10N+ 1 132.0808 0.02
+  135.0442 C8H7O2+ 1 135.0441 1.18
+  135.0802 C9H11O+ 1 135.0804 -1.93
+  136.0393 C7H6NO2+ 1 136.0393 -0.17
+  138.0662 C6H8N3O+ 1 138.0662 -0.13
+  138.091 C8H12NO+ 1 138.0913 -2.49
+  141.0658 C6H9N2O2+ 1 141.0659 -0.22
+  141.1017 C7H13N2O+ 1 141.1022 -3.63
+  146.0961 C10H12N+ 1 146.0964 -2.21
+  150.1022 C8H12N3+ 1 150.1026 -2.69
+  153.0659 C7H9N2O2+ 1 153.0659 0.03
+  153.1018 C8H13N2O+ 1 153.1022 -2.62
+  157.1084 C6H13N4O+ 1 157.1084 -0.19
+  158.0962 C11H12N+ 1 158.0964 -1.35
+  162.1026 C9H12N3+ 1 162.1026 0.39
+  164.1068 C10H14NO+ 1 164.107 -0.96
+  166.0971 C8H12N3O+ 1 166.0975 -2.34
+  168.0804 C12H10N+ 1 168.0808 -2.48
+  170.0961 C12H12N+ 1 170.0964 -1.79
+  171.0766 C7H11N2O3+ 1 171.0764 0.82
+  178.0975 C9H12N3O+ 1 178.0975 0.03
+  182.0924 C8H12N3O2+ 1 182.0924 0.05
+  195.1236 C9H15N4O+ 3 195.124 -2.22
+  197.1034 C8H13N4O2+ 1 197.1033 0.5
+  198.0907 C13H12NO+ 2 198.0913 -3.28
+  199.0714 C8H11N2O4+ 1 199.0713 0.12
+  208.108 C10H14N3O2+ 1 208.1081 -0.44
+  215.1178 C13H15N2O+ 2 215.1179 -0.54
+  216.0978 C8H14N3O4+ 1 216.0979 -0.24
+  223.1194 C10H15N4O2+ 2 223.119 2.18
+  239.1186 C2H23O12+ 4 239.1184 0.98
+  241.1293 C10H17N4O3+ 3 241.1295 -0.77
+  251.1139 C11H15N4O3+ 1 251.1139 0.18
+  278.1535 C4H26N2O11+ 5 278.1531 1.36
+PK$NUM_PEAK: 66
+PK$PEAK: m/z int. rel.int.
+  55.0542 820658.9 15
+  56.0495 2868938.8 54
+  57.0699 2497597.5 47
+  68.0495 10015555 188
+  69.0333 1116291.6 21
+  70.0651 52975100 999
+  71.0492 1100245.9 20
+  72.0808 4790939.5 90
+  74.06 4139858.5 78
+  80.0495 862988.4 16
+  84.0444 3850250.5 72
+  85.0759 1853007 34
+  86.06 986425.9 18
+  88.0393 15117501 285
+  91.0543 5020065 94
+  95.0604 4661873 87
+  96.0445 592283.6 11
+  97.076 1309849.5 24
+  98.0601 776122.6 14
+  101.0711 1260631.4 23
+  105.07 1150122.5 21
+  111.0554 2055222.1 38
+  112.0393 904628.8 17
+  112.0868 11102671 209
+  113.0709 7155041 134
+  114.0549 1235272.1 23
+  114.1024 1288600.2 24
+  115.0866 5789655.5 109
+  120.0807 24588890 463
+  121.0648 8984267 169
+  125.0712 2224221.8 41
+  129.0661 1705577.4 32
+  132.0808 1589062.8 29
+  135.0442 622308.2 11
+  135.0802 3747798.5 70
+  136.0393 1102777.8 20
+  138.0662 4044394.8 76
+  138.091 1287415.8 24
+  141.0658 1300084.1 24
+  141.1017 1561618.1 29
+  146.0961 3452307 65
+  150.1022 1599254.1 30
+  153.0659 3664526 69
+  153.1018 1866057.4 35
+  157.1084 1281150.6 24
+  158.0962 5454555.5 102
+  162.1026 1105211 20
+  164.1068 52103592 982
+  166.0971 1148095.5 21
+  168.0804 873286.8 16
+  170.0961 9401281 177
+  171.0766 913864.8 17
+  178.0975 1217785.8 22
+  182.0924 1050520.1 19
+  195.1236 1486684.6 28
+  197.1034 2119921 39
+  198.0907 2672934.8 50
+  199.0714 2908342.2 54
+  208.108 1119744.1 21
+  215.1178 3144964.8 59
+  216.0978 1447253.4 27
+  223.1194 3075918.2 58
+  239.1186 693449 13
+  241.1293 850632.8 16
+  251.1139 1227383.4 23
+  278.1535 726965.6 13
+//
diff --git a/Eawag/MSBNK-EAWAG-EC046708.txt b/Eawag/MSBNK-EAWAG-EC046708.txt
new file mode 100644
index 0000000000..b5ad944722
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC046708.txt
@@ -0,0 +1,162 @@
+ACCESSION: MSBNK-EAWAG-EC046708
+RECORD_TITLE: Cyanopeptolin CP1048; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md16070220
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 467
+CH$NAME: Cyanopeptolin CP1048
+CH$NAME: 4-((2-benzyl-15-(3-guanidinopropyl)-21-hydroxy-5-(4-hydroxyphenethyl)-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-octanamido-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H76N10O13
+CH$EXACT_MASS: 1048.559332
+CH$SMILES: O=C(NC(C(NC(C(NC(CCCNC(N)=N)C(NC1C(N(C(C(N(C(C(NC2C(C)C)=O)CCC3=CC=C(O)C=C3)C)=O)CC4=CC=CC=C4)C(O)CC1)=O)=O)=O)C(OC2=O)C)=O)CC(O)=O)CCCCCCC
+CH$IUPAC: InChI=1S/C52H76N10O13/c1-6-7-8-9-13-18-40(64)56-37(29-42(66)67)46(69)60-44-31(4)75-51(74)43(30(2)3)59-47(70)38(25-21-32-19-22-34(63)23-20-32)61(5)50(73)39(28-33-15-11-10-12-16-33)62-41(65)26-24-36(49(62)72)58-45(68)35(57-48(44)71)17-14-27-55-52(53)54/h10-12,15-16,19-20,22-23,30-31,35-39,41,43-44,63,65H,6-9,13-14,17-18,21,24-29H2,1-5H3,(H,56,64)(H,57,71)(H,58,68)(H,59,70)(H,60,69)(H,66,67)(H4,53,54,55)
+CH$LINK: PUBCHEM CID:146684844
+CH$LINK: INCHIKEY VYXPXPDSGOMRCH-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1092
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.933 min
+MS$FOCUSED_ION: BASE_PEAK 1049.5657
+MS$FOCUSED_ION: PRECURSOR_M/Z 1049.5666
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-00di-8900000000-42fcfa046a0ea267bd44
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  55.0543 C4H7+ 1 55.0542 0.52
+  56.0494 C3H6N+ 1 56.0495 -0.88
+  57.0699 C4H9+ 1 57.0699 -0.46
+  58.0651 C3H8N+ 1 58.0651 -0.22
+  60.0554 CH6N3+ 1 60.0556 -3.3
+  68.0495 C4H6N+ 1 68.0495 -0.24
+  69.0334 C4H5O+ 1 69.0335 -1.18
+  70.0288 C3H4NO+ 1 70.0287 0.15
+  70.0651 C4H8N+ 1 70.0651 -0.41
+  71.0492 C4H7O+ 1 71.0491 1.47
+  72.0808 C4H10N+ 1 72.0808 -0.35
+  74.06 C3H8NO+ 1 74.06 -0.7
+  82.0652 C5H8N+ 1 82.0651 1.1
+  83.0604 C4H7N2+ 1 83.0604 0.56
+  84.0444 C4H6NO+ 1 84.0444 0.43
+  85.076 C4H9N2+ 1 85.076 0.25
+  86.06 C4H8NO+ 1 86.06 -0.67
+  88.0393 C3H6NO2+ 1 88.0393 -0.26
+  91.0542 C7H7+ 1 91.0542 -0.31
+  95.0604 C5H7N2+ 1 95.0604 -0.06
+  96.0446 C5H6NO+ 1 96.0444 1.91
+  97.0761 C5H9N2+ 1 97.076 0.89
+  98.06 C5H8NO+ 1 98.06 -0.38
+  101.0707 C4H9N2O+ 1 101.0709 -2
+  103.0541 C8H7+ 1 103.0542 -1.18
+  105.07 C8H9+ 1 105.0699 1
+  110.06 C6H8NO+ 1 110.06 -0.39
+  111.0552 C5H7N2O+ 1 111.0553 -1.25
+  112.0394 C5H6NO2+ 1 112.0393 0.53
+  112.0868 C5H10N3+ 1 112.0869 -1.14
+  113.0709 C5H9N2O+ 1 113.0709 -0.4
+  114.0548 C5H8NO2+ 1 114.055 -1.54
+  115.0867 C5H11N2O+ 1 115.0866 0.82
+  117.0573 C8H7N+ 1 117.0573 0.17
+  120.0807 C8H10N+ 1 120.0808 -0.68
+  121.0647 C8H9O+ 1 121.0648 -0.51
+  123.0807 C8H11O+ 1 123.0804 2.38
+  125.0708 C6H9N2O+ 1 125.0709 -1.01
+  129.0659 C5H9N2O2+ 1 129.0659 0.27
+  132.0805 C9H10N+ 1 132.0808 -2.29
+  135.0442 C8H7O2+ 1 135.0441 1.18
+  135.0803 C9H11O+ 1 135.0804 -1.14
+  136.0394 C7H6NO2+ 1 136.0393 0.84
+  138.0663 C6H8N3O+ 1 138.0662 0.53
+  138.091 C8H12NO+ 1 138.0913 -2.16
+  140.082 C6H10N3O+ 1 140.0818 1.15
+  141.1022 C7H13N2O+ 1 141.1022 -0.39
+  146.0961 C10H12N+ 1 146.0964 -2.01
+  149.0705 C8H9N2O+ 1 149.0709 -2.81
+  149.0837 C9H11NO+ 1 149.0835 0.96
+  150.1023 C8H12N3+ 1 150.1026 -1.58
+  153.0664 C7H9N2O2+ 1 153.0659 3.42
+  158.0962 C11H12N+ 1 158.0964 -1.45
+  164.1068 C10H14NO+ 1 164.107 -1.33
+  168.0805 C12H10N+ 1 168.0808 -1.48
+  170.0961 C12H12N+ 1 170.0964 -2.06
+  178.0977 C9H12N3O+ 1 178.0975 1.15
+  195.1247 C9H15N4O+ 2 195.124 3.57
+  197.104 C8H13N4O2+ 2 197.1033 3.45
+  198.0911 C13H12NO+ 1 198.0913 -1.28
+PK$NUM_PEAK: 60
+PK$PEAK: m/z int. rel.int.
+  55.0543 1077170.1 17
+  56.0494 5045252 79
+  57.0699 4052285.2 64
+  58.0651 695302.3 11
+  60.0554 865123.6 13
+  68.0495 13469272 213
+  69.0334 1581942 25
+  70.0288 3172817.8 50
+  70.0651 63113840 999
+  71.0492 1376007.5 21
+  72.0808 5515017 87
+  74.06 4384074.5 69
+  82.0652 828806.2 13
+  83.0604 1098905 17
+  84.0444 5147569 81
+  85.076 2406648.5 38
+  86.06 1294918.2 20
+  88.0393 16749504 265
+  91.0542 9007273 142
+  95.0604 6100963.5 96
+  96.0446 1464479 23
+  97.0761 2485404.8 39
+  98.06 2157365.2 34
+  101.0707 1765924.9 27
+  103.0541 1521751.2 24
+  105.07 1677139.6 26
+  110.06 1352405.1 21
+  111.0552 3225314.2 51
+  112.0394 786802.6 12
+  112.0868 9202987 145
+  113.0709 4610285.5 72
+  114.0548 2069799.8 32
+  115.0867 4397055 69
+  117.0573 1353491.1 21
+  120.0807 21624072 342
+  121.0647 11403238 180
+  123.0807 862400.9 13
+  125.0708 3157137.8 49
+  129.0659 1922325.2 30
+  132.0805 3013090.2 47
+  135.0442 787466.4 12
+  135.0803 5250075.5 83
+  136.0394 1006140.9 15
+  138.0663 3359046.5 53
+  138.091 969634.9 15
+  140.082 1313655.1 20
+  141.1022 1069890.8 16
+  146.0961 2801490.8 44
+  149.0705 2562488.8 40
+  149.0837 5634413 89
+  150.1023 1685484.6 26
+  153.0664 3020406.8 47
+  158.0962 3779648.2 59
+  164.1068 37151656 588
+  168.0805 1627473 25
+  170.0961 9512453 150
+  178.0977 1336504.1 21
+  195.1247 763304.6 12
+  197.104 812993.6 12
+  198.0911 1795328.5 28
+//
diff --git a/Eawag/MSBNK-EAWAG-EC046709.txt b/Eawag/MSBNK-EAWAG-EC046709.txt
new file mode 100644
index 0000000000..728c8008cd
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC046709.txt
@@ -0,0 +1,144 @@
+ACCESSION: MSBNK-EAWAG-EC046709
+RECORD_TITLE: Cyanopeptolin CP1048; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md16070220
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 467
+CH$NAME: Cyanopeptolin CP1048
+CH$NAME: 4-((2-benzyl-15-(3-guanidinopropyl)-21-hydroxy-5-(4-hydroxyphenethyl)-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-octanamido-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H76N10O13
+CH$EXACT_MASS: 1048.559332
+CH$SMILES: O=C(NC(C(NC(C(NC(CCCNC(N)=N)C(NC1C(N(C(C(N(C(C(NC2C(C)C)=O)CCC3=CC=C(O)C=C3)C)=O)CC4=CC=CC=C4)C(O)CC1)=O)=O)=O)C(OC2=O)C)=O)CC(O)=O)CCCCCCC
+CH$IUPAC: InChI=1S/C52H76N10O13/c1-6-7-8-9-13-18-40(64)56-37(29-42(66)67)46(69)60-44-31(4)75-51(74)43(30(2)3)59-47(70)38(25-21-32-19-22-34(63)23-20-32)61(5)50(73)39(28-33-15-11-10-12-16-33)62-41(65)26-24-36(49(62)72)58-45(68)35(57-48(44)71)17-14-27-55-52(53)54/h10-12,15-16,19-20,22-23,30-31,35-39,41,43-44,63,65H,6-9,13-14,17-18,21,24-29H2,1-5H3,(H,56,64)(H,57,71)(H,58,68)(H,59,70)(H,60,69)(H,66,67)(H4,53,54,55)
+CH$LINK: PUBCHEM CID:146684844
+CH$LINK: INCHIKEY VYXPXPDSGOMRCH-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1092
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.933 min
+MS$FOCUSED_ION: BASE_PEAK 1049.5657
+MS$FOCUSED_ION: PRECURSOR_M/Z 1049.5666
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-00di-9600000000-2ce054e8fe4050969075
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  55.0542 C4H7+ 1 55.0542 -1.01
+  56.0494 C3H6N+ 1 56.0495 -0.48
+  57.0698 C4H9+ 1 57.0699 -1.19
+  60.0556 CH6N3+ 1 60.0556 -0.83
+  68.0494 C4H6N+ 1 68.0495 -0.58
+  69.0335 C4H5O+ 1 69.0335 -0.19
+  70.0288 C3H4NO+ 1 70.0287 0.15
+  70.0651 C4H8N+ 1 70.0651 -0.63
+  71.0491 C4H7O+ 1 71.0491 -0.46
+  72.0807 C4H10N+ 1 72.0808 -0.99
+  74.06 C3H8NO+ 1 74.06 -0.39
+  80.0493 C5H6N+ 1 80.0495 -1.71
+  82.0652 C5H8N+ 1 82.0651 1.28
+  83.0603 C4H7N2+ 1 83.0604 -1
+  84.0444 C4H6NO+ 1 84.0444 -0.21
+  85.0761 C4H9N2+ 1 85.076 1.42
+  86.06 C4H8NO+ 1 86.06 -0.85
+  88.0393 C3H6NO2+ 1 88.0393 -0.52
+  91.0541 C7H7+ 1 91.0542 -1.15
+  95.0603 C5H7N2+ 1 95.0604 -0.86
+  96.044 C5H6NO+ 1 96.0444 -3.57
+  97.076 C5H9N2+ 1 97.076 -0.6
+  98.0599 C5H8NO+ 1 98.06 -1.54
+  101.071 C4H9N2O+ 1 101.0709 0.49
+  103.0542 C8H7+ 1 103.0542 -0.37
+  105.0698 C8H9+ 1 105.0699 -0.89
+  110.0599 C6H8NO+ 1 110.06 -1.22
+  111.0553 C5H7N2O+ 1 111.0553 0.06
+  112.0869 C5H10N3+ 1 112.0869 -0.53
+  115.0865 C5H11N2O+ 1 115.0866 -0.58
+  117.057 C8H7N+ 1 117.0573 -2.31
+  120.0806 C8H10N+ 1 120.0808 -1.25
+  121.0647 C8H9O+ 1 121.0648 -0.51
+  123.0805 C8H11O+ 1 123.0804 0.76
+  125.0708 C6H9N2O+ 1 125.0709 -1.37
+  132.0806 C9H10N+ 1 132.0808 -1.14
+  133.088 C9H11N+ 1 133.0886 -4.48
+  135.0442 C8H7O2+ 1 135.0441 1.3
+  135.0804 C9H11O+ 1 135.0804 -0.58
+  136.0395 C7H6NO2+ 1 136.0393 1.29
+  137.0707 C7H9N2O+ 1 137.0709 -2.02
+  138.066 C6H8N3O+ 1 138.0662 -1.24
+  141.0665 C6H9N2O2+ 1 141.0659 4.76
+  146.0963 C10H12N+ 1 146.0964 -0.96
+  149.0704 C8H9N2O+ 1 149.0709 -3.93
+  149.0836 C9H11NO+ 1 149.0835 0.55
+  150.1027 C8H12N3+ 1 150.1026 1.07
+  158.0963 C11H12N+ 1 158.0964 -0.96
+  164.1067 C10H14NO+ 1 164.107 -1.79
+  168.0809 C12H10N+ 1 168.0808 0.61
+  170.0962 C12H12N+ 1 170.0964 -1.34
+PK$NUM_PEAK: 51
+PK$PEAK: m/z int. rel.int.
+  55.0542 1180337.1 21
+  56.0494 4961721.5 91
+  57.0698 2816822.2 51
+  60.0556 662858 12
+  68.0494 13301431 244
+  69.0335 1437180.4 26
+  70.0288 2840422.2 52
+  70.0651 54298508 999
+  71.0491 1061537.9 19
+  72.0807 4044753.2 74
+  74.06 4017922.5 73
+  80.0493 1654953.4 30
+  82.0652 1598242.1 29
+  83.0603 1311810.5 24
+  84.0444 4249666 78
+  85.0761 1832353.9 33
+  86.06 733742.6 13
+  88.0393 11264813 207
+  91.0541 11741610 216
+  95.0603 5578931.5 102
+  96.044 1582467.2 29
+  97.076 2389348.2 43
+  98.0599 1896534.1 34
+  101.071 922817.4 16
+  103.0542 2503655.2 46
+  105.0698 2570752 47
+  110.0599 1308899.5 24
+  111.0553 2712557.5 49
+  112.0869 5451983 100
+  115.0865 3095354.8 56
+  117.057 2038489.6 37
+  120.0806 14736648 271
+  121.0647 10368841 190
+  123.0805 1563638.1 28
+  125.0708 2743627.5 50
+  132.0806 3031538.8 55
+  133.088 1848593.4 34
+  135.0442 684316.3 12
+  135.0804 3770645.2 69
+  136.0395 872315.9 16
+  137.0707 708248.6 13
+  138.066 1834118 33
+  141.0665 911203.9 16
+  146.0963 1320759 24
+  149.0704 2195266.8 40
+  149.0836 6894780.5 126
+  150.1027 1491698.6 27
+  158.0963 1354342.6 24
+  164.1067 18248712 335
+  168.0809 1872081.1 34
+  170.0962 5554009.5 102
+//
diff --git a/Eawag/MSBNK-EAWAG-EC046751.txt b/Eawag/MSBNK-EAWAG-EC046751.txt
new file mode 100644
index 0000000000..1e4151b9c3
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC046751.txt
@@ -0,0 +1,54 @@
+ACCESSION: MSBNK-EAWAG-EC046751
+RECORD_TITLE: Cyanopeptolin CP1048; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M-H]-; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md16070220
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 467
+CH$NAME: Cyanopeptolin CP1048
+CH$NAME: 4-((2-benzyl-15-(3-guanidinopropyl)-21-hydroxy-5-(4-hydroxyphenethyl)-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-octanamido-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H76N10O13
+CH$EXACT_MASS: 1048.559332
+CH$SMILES: O=C(NC(C(NC(C(NC(CCCNC(N)=N)C(NC1C(N(C(C(N(C(C(NC2C(C)C)=O)CCC3=CC=C(O)C=C3)C)=O)CC4=CC=CC=C4)C(O)CC1)=O)=O)=O)C(OC2=O)C)=O)CC(O)=O)CCCCCCC
+CH$IUPAC: InChI=1S/C52H76N10O13/c1-6-7-8-9-13-18-40(64)56-37(29-42(66)67)46(69)60-44-31(4)75-51(74)43(30(2)3)59-47(70)38(25-21-32-19-22-34(63)23-20-32)61(5)50(73)39(28-33-15-11-10-12-16-33)62-41(65)26-24-36(49(62)72)58-45(68)35(57-48(44)71)17-14-27-55-52(53)54/h10-12,15-16,19-20,22-23,30-31,35-39,41,43-44,63,65H,6-9,13-14,17-18,21,24-29H2,1-5H3,(H,56,64)(H,57,71)(H,58,68)(H,59,70)(H,60,69)(H,66,67)(H4,53,54,55)
+CH$LINK: PUBCHEM CID:146684844
+CH$LINK: INCHIKEY VYXPXPDSGOMRCH-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1090
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.894 min
+MS$FOCUSED_ION: BASE_PEAK 1047.5547
+MS$FOCUSED_ION: PRECURSOR_M/Z 1047.5521
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0002-9000000000-bfce4947d97419664578
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  583.2638 C28H41NO12- 9 583.2634 0.64
+  726.3946 C36H58N2O13- 13 726.3944 0.19
+  770.422 C39H58N6O10- 10 770.422 -0.04
+  886.4109 C46H58N6O12- 5 886.4118 -0.99
+  1029.5428 C52H73N10O12- 1 1029.5415 1.26
+  1047.5531 C52H75N10O13- 1 1047.5521 0.99
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  583.2638 249916.9 16
+  726.3946 426429.7 28
+  770.422 509835 34
+  886.4109 490955.8 33
+  1029.5428 890500.7 59
+  1047.5531 14847957 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC046752.txt b/Eawag/MSBNK-EAWAG-EC046752.txt
new file mode 100644
index 0000000000..85436f739f
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC046752.txt
@@ -0,0 +1,58 @@
+ACCESSION: MSBNK-EAWAG-EC046752
+RECORD_TITLE: Cyanopeptolin CP1048; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M-H]-; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md16070220
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 467
+CH$NAME: Cyanopeptolin CP1048
+CH$NAME: 4-((2-benzyl-15-(3-guanidinopropyl)-21-hydroxy-5-(4-hydroxyphenethyl)-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-octanamido-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H76N10O13
+CH$EXACT_MASS: 1048.559332
+CH$SMILES: O=C(NC(C(NC(C(NC(CCCNC(N)=N)C(NC1C(N(C(C(N(C(C(NC2C(C)C)=O)CCC3=CC=C(O)C=C3)C)=O)CC4=CC=CC=C4)C(O)CC1)=O)=O)=O)C(OC2=O)C)=O)CC(O)=O)CCCCCCC
+CH$IUPAC: InChI=1S/C52H76N10O13/c1-6-7-8-9-13-18-40(64)56-37(29-42(66)67)46(69)60-44-31(4)75-51(74)43(30(2)3)59-47(70)38(25-21-32-19-22-34(63)23-20-32)61(5)50(73)39(28-33-15-11-10-12-16-33)62-41(65)26-24-36(49(62)72)58-45(68)35(57-48(44)71)17-14-27-55-52(53)54/h10-12,15-16,19-20,22-23,30-31,35-39,41,43-44,63,65H,6-9,13-14,17-18,21,24-29H2,1-5H3,(H,56,64)(H,57,71)(H,58,68)(H,59,70)(H,60,69)(H,66,67)(H4,53,54,55)
+CH$LINK: PUBCHEM CID:146684844
+CH$LINK: INCHIKEY VYXPXPDSGOMRCH-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1090
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.894 min
+MS$FOCUSED_ION: BASE_PEAK 1047.5547
+MS$FOCUSED_ION: PRECURSOR_M/Z 1047.5521
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-002b-9000010110-a2daf6f109647dc583c0
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  114.3953 H52NO3- 1 114.3953 -0.08
+  565.2526 C29H35N5O7- 8 565.2542 -2.77
+  627.2895 C29H39N8O8- 12 627.2896 -0.23
+  726.3946 C36H58N2O13- 13 726.3944 0.19
+  770.4217 C39H58N6O10- 11 770.422 -0.44
+  886.4104 C46H58N6O12- 5 886.4118 -1.61
+  1029.5419 C52H73N10O12- 1 1029.5415 0.43
+  1047.5527 C52H75N10O13- 1 1047.5521 0.64
+PK$NUM_PEAK: 8
+PK$PEAK: m/z int. rel.int.
+  114.3953 108566.4 21
+  565.2526 886324.6 174
+  627.2895 407359.6 80
+  726.3946 1121671.1 220
+  770.4217 337558.8 66
+  886.4104 1439368 283
+  1029.5419 2556090.5 502
+  1047.5527 5079271.5 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC046753.txt b/Eawag/MSBNK-EAWAG-EC046753.txt
new file mode 100644
index 0000000000..be74ec8dd7
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC046753.txt
@@ -0,0 +1,64 @@
+ACCESSION: MSBNK-EAWAG-EC046753
+RECORD_TITLE: Cyanopeptolin CP1048; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M-H]-; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md16070220
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 467
+CH$NAME: Cyanopeptolin CP1048
+CH$NAME: 4-((2-benzyl-15-(3-guanidinopropyl)-21-hydroxy-5-(4-hydroxyphenethyl)-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-octanamido-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H76N10O13
+CH$EXACT_MASS: 1048.559332
+CH$SMILES: O=C(NC(C(NC(C(NC(CCCNC(N)=N)C(NC1C(N(C(C(N(C(C(NC2C(C)C)=O)CCC3=CC=C(O)C=C3)C)=O)CC4=CC=CC=C4)C(O)CC1)=O)=O)=O)C(OC2=O)C)=O)CC(O)=O)CCCCCCC
+CH$IUPAC: InChI=1S/C52H76N10O13/c1-6-7-8-9-13-18-40(64)56-37(29-42(66)67)46(69)60-44-31(4)75-51(74)43(30(2)3)59-47(70)38(25-21-32-19-22-34(63)23-20-32)61(5)50(73)39(28-33-15-11-10-12-16-33)62-41(65)26-24-36(49(62)72)58-45(68)35(57-48(44)71)17-14-27-55-52(53)54/h10-12,15-16,19-20,22-23,30-31,35-39,41,43-44,63,65H,6-9,13-14,17-18,21,24-29H2,1-5H3,(H,56,64)(H,57,71)(H,58,68)(H,59,70)(H,60,69)(H,66,67)(H4,53,54,55)
+CH$LINK: PUBCHEM CID:146684844
+CH$LINK: INCHIKEY VYXPXPDSGOMRCH-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1090
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.894 min
+MS$FOCUSED_ION: BASE_PEAK 1047.5547
+MS$FOCUSED_ION: PRECURSOR_M/Z 1047.5521
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-001r-3000090040-cb95e72826520d97e7db
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  114.3954 H52NO3- 1 114.3953 1.19
+  251.1133 C9H13N7O2- 4 251.1136 -1.13
+  322.1768 C2H26N8O10- 3 322.1777 -2.99
+  379.1724 C15H27N2O9- 4 379.1722 0.44
+  549.2697 C28H35N7O5- 8 549.2705 -1.42
+  565.2525 C29H35N5O7- 8 565.2542 -2.98
+  583.2634 C28H41NO12- 10 583.2634 0.01
+  886.4106 C46H58N6O12- 5 886.4118 -1.33
+  887.4128 C52H59N2O11- 5 887.4124 0.38
+  1029.5417 C52H73N10O12- 1 1029.5415 0.19
+  1047.5524 C52H75N10O13- 1 1047.5521 0.29
+PK$NUM_PEAK: 11
+PK$PEAK: m/z int. rel.int.
+  114.3954 95776.9 16
+  251.1133 131194.7 22
+  322.1768 155810.5 26
+  379.1724 385132.5 65
+  549.2697 237774.5 40
+  565.2525 1717754.4 290
+  583.2634 5906908 999
+  886.4106 4110394.8 695
+  887.4128 239728 40
+  1029.5417 2186975.8 369
+  1047.5524 717850.5 121
+//
diff --git a/Eawag/MSBNK-EAWAG-EC046754.txt b/Eawag/MSBNK-EAWAG-EC046754.txt
new file mode 100644
index 0000000000..548d49b6c5
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC046754.txt
@@ -0,0 +1,98 @@
+ACCESSION: MSBNK-EAWAG-EC046754
+RECORD_TITLE: Cyanopeptolin CP1048; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M-H]-; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md16070220
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 467
+CH$NAME: Cyanopeptolin CP1048
+CH$NAME: 4-((2-benzyl-15-(3-guanidinopropyl)-21-hydroxy-5-(4-hydroxyphenethyl)-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-octanamido-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H76N10O13
+CH$EXACT_MASS: 1048.559332
+CH$SMILES: O=C(NC(C(NC(C(NC(CCCNC(N)=N)C(NC1C(N(C(C(N(C(C(NC2C(C)C)=O)CCC3=CC=C(O)C=C3)C)=O)CC4=CC=CC=C4)C(O)CC1)=O)=O)=O)C(OC2=O)C)=O)CC(O)=O)CCCCCCC
+CH$IUPAC: InChI=1S/C52H76N10O13/c1-6-7-8-9-13-18-40(64)56-37(29-42(66)67)46(69)60-44-31(4)75-51(74)43(30(2)3)59-47(70)38(25-21-32-19-22-34(63)23-20-32)61(5)50(73)39(28-33-15-11-10-12-16-33)62-41(65)26-24-36(49(62)72)58-45(68)35(57-48(44)71)17-14-27-55-52(53)54/h10-12,15-16,19-20,22-23,30-31,35-39,41,43-44,63,65H,6-9,13-14,17-18,21,24-29H2,1-5H3,(H,56,64)(H,57,71)(H,58,68)(H,59,70)(H,60,69)(H,66,67)(H4,53,54,55)
+CH$LINK: PUBCHEM CID:146684844
+CH$LINK: INCHIKEY VYXPXPDSGOMRCH-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1090
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.894 min
+MS$FOCUSED_ION: BASE_PEAK 1047.5547
+MS$FOCUSED_ION: PRECURSOR_M/Z 1047.5521
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0019-0110190160-c365142b1bf0a18b5b27
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  96.0092 C4H2NO2- 1 96.0091 1.11
+  116.0719 C5H10NO2- 1 116.0717 1.39
+  135.056 C7H7N2O- 1 135.0564 -2.67
+  140.0349 C6H6NO3- 1 140.0353 -2.66
+  155.0572 C5H7N4O2- 1 155.0574 -1.72
+  160.0762 C10H10NO- 2 160.0768 -3.73
+  165.103 C9H13N2O- 1 165.1033 -1.89
+  179.0455 C8H7N2O3- 2 179.0462 -4.04
+  194.1045 C8H12N5O- 1 194.1047 -1.04
+  195.0879 C7H15O6- 3 195.0874 2.68
+  209.0923 C8H11N5O2- 2 209.0918 2.19
+  221.0672 C8H13O7- 3 221.0667 2.36
+  238.0935 C8H16NO7- 3 238.0932 1.08
+  251.1136 C9H13N7O2- 2 251.1136 -0.22
+  260.1037 C11H12N6O2- 2 260.1027 3.73
+  274.1285 C10H18N4O5- 3 274.1283 0.76
+  307.1638 C14H21N5O3- 3 307.165 -3.72
+  337.153 C3H25N6O12- 6 337.1536 -1.64
+  454.2337 C23H30N6O4- 6 454.2334 0.72
+  484.2207 C24H30N5O6- 9 484.2202 1.15
+  486.2429 C18H32N9O7- 8 486.243 -0.29
+  503.2723 C34H35N2O2- 7 503.2704 3.7
+  541.2412 C40H31NO- 8 541.2411 0.17
+  565.2529 C29H35N5O7- 10 565.2542 -2.23
+  583.2636 C28H41NO12- 10 583.2634 0.22
+  723.3833 C50H49N3O2- 12 723.383 0.35
+  886.4107 C46H58N6O12- 5 886.4118 -1.27
+  1029.5427 C52H73N10O12- 1 1029.5415 1.14
+PK$NUM_PEAK: 28
+PK$PEAK: m/z int. rel.int.
+  96.0092 49506.5 13
+  116.0719 76931.3 21
+  135.056 154136.2 42
+  140.0349 96791 26
+  155.0572 60869.7 16
+  160.0762 51007.1 14
+  165.103 70786.5 19
+  179.0455 504905.4 139
+  194.1045 40380.1 11
+  195.0879 79112.4 21
+  209.0923 81067.2 22
+  221.0672 168902 46
+  238.0935 183699.1 50
+  251.1136 428770.9 118
+  260.1037 54430.5 15
+  274.1285 50895.3 14
+  307.1638 230969.3 63
+  337.153 309904.6 85
+  454.2337 214852.2 59
+  484.2207 200893.9 55
+  486.2429 255438.5 70
+  503.2723 40877.3 11
+  541.2412 704037.4 194
+  565.2529 1188971.1 328
+  583.2636 3312155.8 916
+  723.3833 824139.7 227
+  886.4107 3611378.5 999
+  1029.5427 243409.9 67
+//
diff --git a/Eawag/MSBNK-EAWAG-EC046755.txt b/Eawag/MSBNK-EAWAG-EC046755.txt
new file mode 100644
index 0000000000..6747a33764
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC046755.txt
@@ -0,0 +1,190 @@
+ACCESSION: MSBNK-EAWAG-EC046755
+RECORD_TITLE: Cyanopeptolin CP1048; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M-H]-; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md16070220
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 467
+CH$NAME: Cyanopeptolin CP1048
+CH$NAME: 4-((2-benzyl-15-(3-guanidinopropyl)-21-hydroxy-5-(4-hydroxyphenethyl)-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-octanamido-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H76N10O13
+CH$EXACT_MASS: 1048.559332
+CH$SMILES: O=C(NC(C(NC(C(NC(CCCNC(N)=N)C(NC1C(N(C(C(N(C(C(NC2C(C)C)=O)CCC3=CC=C(O)C=C3)C)=O)CC4=CC=CC=C4)C(O)CC1)=O)=O)=O)C(OC2=O)C)=O)CC(O)=O)CCCCCCC
+CH$IUPAC: InChI=1S/C52H76N10O13/c1-6-7-8-9-13-18-40(64)56-37(29-42(66)67)46(69)60-44-31(4)75-51(74)43(30(2)3)59-47(70)38(25-21-32-19-22-34(63)23-20-32)61(5)50(73)39(28-33-15-11-10-12-16-33)62-41(65)26-24-36(49(62)72)58-45(68)35(57-48(44)71)17-14-27-55-52(53)54/h10-12,15-16,19-20,22-23,30-31,35-39,41,43-44,63,65H,6-9,13-14,17-18,21,24-29H2,1-5H3,(H,56,64)(H,57,71)(H,58,68)(H,59,70)(H,60,69)(H,66,67)(H4,53,54,55)
+CH$LINK: PUBCHEM CID:146684844
+CH$LINK: INCHIKEY VYXPXPDSGOMRCH-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1090
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.894 min
+MS$FOCUSED_ION: BASE_PEAK 1047.5547
+MS$FOCUSED_ION: PRECURSOR_M/Z 1047.5521
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-05n0-1922000000-1181d95e05303b7d7a96
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  73.0408 C2H5N2O- 1 73.0407 0.49
+  84.0092 C3H2NO2- 1 84.0091 0.89
+  85.0406 C3H5N2O- 1 85.0407 -2.05
+  96.009 C4H2NO2- 1 96.0091 -0.56
+  96.0205 C3H2N3O- 1 96.0203 1.71
+  98.0249 C4H4NO2- 1 98.0248 1.38
+  98.0361 C3H4N3O- 1 98.036 1.35
+  99.0199 C3H3N2O2- 1 99.02 -1.18
+  99.0563 C4H7N2O- 1 99.0564 -1.11
+  109.0408 C5H5N2O- 1 109.0407 0.5
+  110.0249 C5H4NO2- 1 110.0248 1.2
+  110.0615 C6H8NO- 1 110.0611 3.34
+  112.0405 C5H6NO2- 1 112.0404 0.6
+  113.0356 C4H5N2O2- 1 113.0357 -0.53
+  116.0716 C5H10NO2- 1 116.0717 -1.18
+  123.0451 C7H7O2- 1 123.0452 -0.04
+  123.0565 C6H7N2O- 1 123.0564 0.99
+  124.0404 C6H6NO2- 1 124.0404 -0.28
+  124.0518 C5H6N3O- 1 124.0516 1.11
+  125.0355 C5H5N2O2- 1 125.0357 -1.32
+  127.0511 C5H7N2O2- 1 127.0513 -1.42
+  135.0561 C7H7N2O- 1 135.0564 -1.77
+  136.04 C7H6NO2- 1 136.0404 -2.67
+  136.0516 C6H6N3O- 1 136.0516 -0.56
+  136.0761 C8H10NO- 2 136.0768 -4.98
+  137.0359 C6H5N2O2- 1 137.0357 1.88
+  138.0309 C5H4N3O2- 1 138.0309 0.17
+  139.0514 C6H7N2O2- 1 139.0513 0.52
+  140.0351 C6H6NO3- 1 140.0353 -1.57
+  140.0827 C6H10N3O- 1 140.0829 -1.87
+  141.103 C7H13N2O- 1 141.1033 -2.26
+  142.0509 C6H8NO3- 1 142.051 -0.7
+  142.1233 C8H16NO- 1 142.1237 -3.4
+  148.0398 C8H6NO2- 2 148.0404 -4.19
+  153.0301 C6H5N2O3- 1 153.0306 -2.83
+  153.0667 C7H9N2O2- 1 153.067 -1.59
+  154.0622 C6H8N3O2- 1 154.0622 -0.22
+  155.094 C6H11N4O- 1 155.0938 0.87
+  156.0773 C6H10N3O2- 1 156.0779 -3.44
+  160.0763 C10H10NO- 1 160.0768 -3.25
+  161.0354 C8H5N2O2- 1 161.0357 -1.69
+  165.0664 C6H7N5O- 2 165.0656 4.55
+  165.1028 C9H13N2O- 2 165.1033 -3.18
+  166.05 C6H6N4O2- 1 166.0496 2.3
+  166.0986 C8H12N3O- 1 166.0986 0.3
+  168.0779 C7H10N3O2- 1 168.0779 0.26
+  172.1204 C6H14N5O- 1 172.1204 -0.03
+  176.0709 C10H10NO2- 2 176.0717 -4.82
+  178.0617 C6H6N6O- 2 178.0609 4.78
+  179.0454 C8H7N2O3- 2 179.0462 -4.38
+  194.1045 C8H12N5O- 1 194.1047 -1.2
+  195.0882 C7H15O6- 3 195.0874 3.86
+  196.109 C9H14N3O2- 1 196.1092 -0.55
+  203.0816 C9H9N5O- 1 203.0813 1.55
+  209.0919 C8H11N5O2- 1 209.0918 0.44
+  212.1145 C7H18NO6- 3 212.114 2.35
+  213.1354 C9H17N4O2- 3 213.1357 -1.47
+  221.0672 C8H13O7- 3 221.0667 2.22
+  229.1406 C7H21N2O6- 2 229.1405 0.34
+  232.1077 C10H12N6O- 1 232.1078 -0.36
+  232.1338 C12H16N4O- 3 232.133 3.69
+  251.1137 C10H19O7- 2 251.1136 0.18
+  260.1027 C11H12N6O2- 1 260.1027 0.09
+  271.1074 C13H13N5O2- 4 271.1075 -0.15
+  272.104 C12H12N6O2- 3 272.1027 4.54
+  288.1349 H24N4O13- 4 288.1345 1.31
+  293.1251 C13H17N4O4- 3 293.1255 -1.57
+  307.1654 C14H21N5O3- 4 307.165 1.35
+  337.1544 C3H25N6O12- 7 337.1536 2.44
+  379.1726 C15H27N2O9- 4 379.1722 1
+  430.2169 C31H28NO- 7 430.2176 -1.71
+  541.2413 C40H31NO- 8 541.2411 0.29
+  583.2636 C28H41NO12- 10 583.2634 0.33
+  723.3832 C50H49N3O2- 12 723.383 0.26
+PK$NUM_PEAK: 74
+PK$PEAK: m/z int. rel.int.
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+//
diff --git a/Eawag/MSBNK-EAWAG-EC046756.txt b/Eawag/MSBNK-EAWAG-EC046756.txt
new file mode 100644
index 0000000000..b5d9299e2a
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC046756.txt
@@ -0,0 +1,230 @@
+ACCESSION: MSBNK-EAWAG-EC046756
+RECORD_TITLE: Cyanopeptolin CP1048; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M-H]-; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md16070220
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 467
+CH$NAME: Cyanopeptolin CP1048
+CH$NAME: 4-((2-benzyl-15-(3-guanidinopropyl)-21-hydroxy-5-(4-hydroxyphenethyl)-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-octanamido-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H76N10O13
+CH$EXACT_MASS: 1048.559332
+CH$SMILES: O=C(NC(C(NC(C(NC(CCCNC(N)=N)C(NC1C(N(C(C(N(C(C(NC2C(C)C)=O)CCC3=CC=C(O)C=C3)C)=O)CC4=CC=CC=C4)C(O)CC1)=O)=O)=O)C(OC2=O)C)=O)CC(O)=O)CCCCCCC
+CH$IUPAC: InChI=1S/C52H76N10O13/c1-6-7-8-9-13-18-40(64)56-37(29-42(66)67)46(69)60-44-31(4)75-51(74)43(30(2)3)59-47(70)38(25-21-32-19-22-34(63)23-20-32)61(5)50(73)39(28-33-15-11-10-12-16-33)62-41(65)26-24-36(49(62)72)58-45(68)35(57-48(44)71)17-14-27-55-52(53)54/h10-12,15-16,19-20,22-23,30-31,35-39,41,43-44,63,65H,6-9,13-14,17-18,21,24-29H2,1-5H3,(H,56,64)(H,57,71)(H,58,68)(H,59,70)(H,60,69)(H,66,67)(H4,53,54,55)
+CH$LINK: PUBCHEM CID:146684844
+CH$LINK: INCHIKEY VYXPXPDSGOMRCH-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1090
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.894 min
+MS$FOCUSED_ION: BASE_PEAK 1047.5547
+MS$FOCUSED_ION: PRECURSOR_M/Z 1047.5521
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-040a-2910000000-8257c038085474c4a771
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  58.041 CH4N3- 1 58.0411 -0.39
+  66.035 C4H4N- 1 66.0349 0.51
+  67.0301 C3H3N2- 1 67.0302 -1.57
+  69.0345 C4H5O- 1 69.0346 -0.73
+  70.0297 C3H4NO- 1 70.0298 -1.73
+  71.025 C2H3N2O- 1 71.0251 -1.09
+  73.0406 C2H5N2O- 1 73.0407 -1.81
+  82.0298 C4H4NO- 1 82.0298 -0.99
+  84.009 C3H2NO2- 1 84.0091 -1.02
+  85.0407 C3H5N2O- 1 85.0407 -0.97
+  91.0553 C7H7- 1 91.0553 0.13
+  94.0297 C5H4NO- 1 94.0298 -1.67
+  96.009 C4H2NO2- 1 96.0091 -0.8
+  96.0206 C3H2N3O- 1 96.0203 2.83
+  96.0453 C5H6NO- 1 96.0455 -2.24
+  96.9931 C4HO3- 1 96.9931 -0.46
+  98.0247 C4H4NO2- 1 98.0248 -0.48
+  98.0359 C3H4N3O- 1 98.036 -0.59
+  99.02 C3H3N2O2- 1 99.02 -0.49
+  99.0563 C4H7N2O- 1 99.0564 -0.81
+  101.0356 C3H5N2O2- 1 101.0357 -0.73
+  106.0423 C7H6O- 1 106.0424 -0.65
+  108.0454 C6H6NO- 1 108.0455 -0.81
+  109.0408 C5H5N2O- 1 109.0407 0.43
+  110.0248 C5H4NO2- 1 110.0248 0.02
+  110.0611 C6H8NO- 1 110.0611 -0.34
+  111.02 C4H3N2O2- 1 111.02 0.41
+  111.0562 C5H7N2O- 1 111.0564 -1.87
+  112.0278 C4H4N2O2- 1 112.0278 -0.33
+  112.0402 C5H6NO2- 1 112.0404 -2.13
+  113.0353 C4H5N2O2- 1 113.0357 -3.02
+  113.0719 C5H9N2O- 1 113.072 -1.14
+  116.0716 C5H10NO2- 1 116.0717 -0.91
+  118.0661 C8H8N- 1 118.0662 -1.09
+  122.0609 C7H8NO- 1 122.0611 -1.99
+  123.0451 C7H7O2- 1 123.0452 -0.35
+  123.0562 C6H7N2O- 1 123.0564 -1.31
+  124.0402 C6H6NO2- 1 124.0404 -1.51
+  124.0515 C5H6N3O- 1 124.0516 -0.74
+  125.0355 C5H5N2O2- 1 125.0357 -1.57
+  127.0512 C5H7N2O2- 1 127.0513 -0.88
+  130.0981 C5H12N3O- 1 130.0986 -3.35
+  135.0561 C7H7N2O- 1 135.0564 -1.77
+  136.0402 C7H6NO2- 1 136.0404 -1.77
+  136.0518 C6H6N3O- 1 136.0516 1.01
+  137.0355 C6H5N2O2- 1 137.0357 -1.35
+  137.072 C7H9N2O- 1 137.072 -0.52
+  137.1083 C8H13N2- 1 137.1084 -1.25
+  138.0556 C7H8NO2- 1 138.0561 -2.97
+  138.1037 C7H12N3- 1 138.1037 0.26
+  139.051 C6H7N2O2- 1 139.0513 -1.89
+  139.0874 C7H11N2O- 1 139.0877 -1.73
+  140.0348 C6H6NO3- 1 140.0353 -3.53
+  141.1029 C7H13N2O- 1 141.1033 -2.81
+  142.0506 C6H8NO3- 1 142.051 -2.53
+  142.1234 C8H16NO- 1 142.1237 -2.12
+  146.0368 C9H6O2- 1 146.0373 -3.63
+  150.0671 C7H8N3O- 1 150.0673 -1.41
+  151.0511 C7H7N2O2- 1 151.0513 -1.41
+  152.0344 C5H4N4O2- 1 152.034 2.71
+  153.0305 C6H5N2O3- 1 153.0306 -0.63
+  153.0666 C7H9N2O2- 1 153.067 -2.39
+  155.0939 C6H11N4O- 1 155.0938 0.38
+  156.0775 C6H10N3O2- 1 156.0779 -2.37
+  160.0763 C10H10NO- 1 160.0768 -3.06
+  161.0352 C8H5N2O2- 1 161.0357 -2.54
+  165.1027 C9H13N2O- 2 165.1033 -3.83
+  166.0499 C6H6N4O2- 1 166.0496 1.38
+  168.0772 C7H10N3O2- 2 168.0779 -3.73
+  169.1091 C7H13N4O- 1 169.1095 -1.99
+  170.0928 C5H10N6O- 2 170.0922 3.67
+  172.1208 C6H14N5O- 1 172.1204 2.28
+  175.0872 C10H11N2O- 2 175.0877 -2.92
+  176.0708 C10H10NO2- 2 176.0717 -4.99
+  179.0456 C8H7N2O3- 2 179.0462 -3.44
+  186.0557 C11H8NO2- 1 186.0561 -1.77
+  187.1193 C6H19O6- 3 187.1187 3.03
+  195.0878 C7H15O6- 3 195.0874 2.06
+  203.0817 C9H9N5O- 2 203.0813 2.38
+  204.1135 C11H14N3O- 2 204.1142 -3.45
+  206.1292 C9H14N6- 2 206.1285 2.97
+  212.1143 C7H18NO6- 3 212.114 1.56
+  213.0988 C8H13N4O3- 3 213.0993 -2.5
+  213.1352 C9H17N4O2- 3 213.1357 -2.47
+  217.0977 C10H11N5O- 2 217.0969 3.49
+  227.0816 C13H11N2O2- 2 227.0826 -4.26
+  229.1408 C7H21N2O6- 3 229.1405 1.2
+  232.1077 C10H12N6O- 1 232.1078 -0.62
+  232.1336 C12H16N4O- 2 232.133 2.7
+  234.1234 C10H14N6O- 1 234.1235 -0.04
+  251.1138 C10H19O7- 3 251.1136 0.55
+  272.139 C13H16N6O- 4 272.1391 -0.43
+  307.1656 C14H21N5O3- 4 307.165 1.95
+  337.1552 C3H25N6O12- 6 337.1536 4.79
+PK$NUM_PEAK: 94
+PK$PEAK: m/z int. rel.int.
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+  307.1656 752915.2 320
+  337.1552 445376.4 189
+//
diff --git a/Eawag/MSBNK-EAWAG-EC046757.txt b/Eawag/MSBNK-EAWAG-EC046757.txt
new file mode 100644
index 0000000000..4d6cb49cea
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC046757.txt
@@ -0,0 +1,214 @@
+ACCESSION: MSBNK-EAWAG-EC046757
+RECORD_TITLE: Cyanopeptolin CP1048; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M-H]-; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md16070220
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 467
+CH$NAME: Cyanopeptolin CP1048
+CH$NAME: 4-((2-benzyl-15-(3-guanidinopropyl)-21-hydroxy-5-(4-hydroxyphenethyl)-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-octanamido-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H76N10O13
+CH$EXACT_MASS: 1048.559332
+CH$SMILES: O=C(NC(C(NC(C(NC(CCCNC(N)=N)C(NC1C(N(C(C(N(C(C(NC2C(C)C)=O)CCC3=CC=C(O)C=C3)C)=O)CC4=CC=CC=C4)C(O)CC1)=O)=O)=O)C(OC2=O)C)=O)CC(O)=O)CCCCCCC
+CH$IUPAC: InChI=1S/C52H76N10O13/c1-6-7-8-9-13-18-40(64)56-37(29-42(66)67)46(69)60-44-31(4)75-51(74)43(30(2)3)59-47(70)38(25-21-32-19-22-34(63)23-20-32)61(5)50(73)39(28-33-15-11-10-12-16-33)62-41(65)26-24-36(49(62)72)58-45(68)35(57-48(44)71)17-14-27-55-52(53)54/h10-12,15-16,19-20,22-23,30-31,35-39,41,43-44,63,65H,6-9,13-14,17-18,21,24-29H2,1-5H3,(H,56,64)(H,57,71)(H,58,68)(H,59,70)(H,60,69)(H,66,67)(H4,53,54,55)
+CH$LINK: PUBCHEM CID:146684844
+CH$LINK: INCHIKEY VYXPXPDSGOMRCH-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1090
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.894 min
+MS$FOCUSED_ION: BASE_PEAK 1047.5547
+MS$FOCUSED_ION: PRECURSOR_M/Z 1047.5521
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-02bs-2900000000-4c2251e45a1a8bc379df
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  58.0298 C2H4NO- 1 58.0298 -0.74
+  58.0409 CH4N3- 1 58.0411 -2.17
+  66.0349 C4H4N- 1 66.0349 -0.18
+  69.0345 C4H5O- 1 69.0346 -1.84
+  70.0298 C3H4NO- 1 70.0298 -0.97
+  71.0249 C2H3N2O- 1 71.0251 -2.16
+  73.0407 C2H5N2O- 1 73.0407 -0.87
+  81.0346 C5H5O- 1 81.0346 0.26
+  82.0298 C4H4NO- 1 82.0298 -0.15
+  83.0249 C3H3N2O- 1 83.0251 -2.13
+  84.0091 C3H2NO2- 1 84.0091 -0.29
+  85.0406 C3H5N2O- 1 85.0407 -1.06
+  86.0247 C3H4NO2- 1 86.0248 -1.14
+  87.0563 C3H7N2O- 1 87.0564 -0.56
+  91.0552 C7H7- 1 91.0553 -1.05
+  96.009 C4H2NO2- 1 96.0091 -1.27
+  96.0455 C5H6NO- 1 96.0455 -0.33
+  96.993 C4HO3- 1 96.9931 -0.7
+  97.0407 C4H5N2O- 1 97.0407 -0.34
+  98.0246 C4H4NO2- 1 98.0248 -1.18
+  98.0359 C3H4N3O- 1 98.036 -0.9
+  98.0612 C5H8NO- 1 98.0611 0.99
+  99.0199 C3H3N2O2- 1 99.02 -1.34
+  99.0562 C4H7N2O- 1 99.0564 -1.5
+  101.0357 C3H5N2O2- 1 101.0357 0.4
+  101.072 C4H9N2O- 1 101.072 -0.67
+  103.0552 C8H7- 1 103.0553 -1.67
+  106.0422 C7H6O- 1 106.0424 -1.87
+  107.0376 C6H5NO- 1 107.0377 -0.27
+  108.0455 C6H6NO- 1 108.0455 -0.25
+  109.0407 C5H5N2O- 1 109.0407 -0.76
+  110.0248 C5H4NO2- 1 110.0248 0.02
+  111.0198 C4H3N2O2- 1 111.02 -2.06
+  111.0564 C5H7N2O- 1 111.0564 0.54
+  112.0277 C4H4N2O2- 1 112.0278 -1.01
+  112.0403 C5H6NO2- 1 112.0404 -1.24
+  113.0356 C4H5N2O2- 1 113.0357 -0.86
+  113.0717 C5H9N2O- 1 113.072 -3.03
+  116.0716 C5H10NO2- 1 116.0717 -1.11
+  118.066 C8H8N- 1 118.0662 -2.19
+  119.0503 C8H7O- 1 119.0502 0.54
+  123.0449 C7H7O2- 1 123.0452 -1.96
+  123.0562 C6H7N2O- 1 123.0564 -1.74
+  124.0402 C6H6NO2- 1 124.0404 -1.82
+  124.0514 C5H6N3O- 1 124.0516 -1.66
+  125.0355 C5H5N2O2- 1 125.0357 -1.51
+  127.0511 C5H7N2O2- 1 127.0513 -1.78
+  130.0983 C5H12N3O- 1 130.0986 -1.83
+  135.0561 C7H7N2O- 1 135.0564 -1.88
+  136.0401 C7H6NO2- 1 136.0404 -2.22
+  136.0767 C8H10NO- 1 136.0768 -0.49
+  137.0352 C6H5N2O2- 1 137.0357 -3.13
+  137.0718 C7H9N2O- 1 137.072 -1.41
+  137.1083 C8H13N2- 1 137.1084 -1.25
+  138.0556 C7H8NO2- 1 138.0561 -2.97
+  138.0674 C6H8N3O- 1 138.0673 0.66
+  138.1034 C7H12N3- 1 138.1037 -1.73
+  139.0509 C6H7N2O2- 1 139.0513 -2.66
+  141.1031 C7H13N2O- 1 141.1033 -1.62
+  142.1234 C8H16NO- 1 142.1237 -2.33
+  147.0441 C7H5N3O- 1 147.0438 2.25
+  151.0511 C7H7N2O2- 1 151.0513 -1.21
+  152.083 C7H10N3O- 1 152.0829 0.52
+  153.0299 C6H5N2O3- 2 153.0306 -4.02
+  153.0664 C7H9N2O2- 1 153.067 -3.28
+  154.0987 C7H12N3O- 1 154.0986 0.51
+  156.0774 C6H10N3O2- 1 156.0779 -3.05
+  160.0763 C10H10NO- 1 160.0768 -3.25
+  168.0774 C7H10N3O2- 1 168.0779 -2.65
+  169.109 C7H13N4O- 1 169.1095 -2.71
+  176.071 C10H10NO2- 2 176.0717 -4.04
+  179.0458 C8H7N2O3- 1 179.0462 -2.16
+  180.1138 C7H12N6- 2 180.1129 4.93
+  182.092 C6H10N6O- 1 182.0922 -0.78
+  187.1193 C6H19O6- 3 187.1187 2.95
+  195.0879 C7H15O6- 3 195.0874 2.45
+  196.1082 C9H14N3O2- 2 196.1092 -4.98
+  201.1348 C7H21O6- 3 201.1344 2.4
+  203.0813 C9H9N5O- 1 203.0813 0.43
+  206.1289 C9H14N6- 1 206.1285 1.49
+  212.1141 C7H18NO6- 2 212.114 0.69
+  213.0985 C7H17O7- 3 213.098 2.34
+  229.1408 C7H21N2O6- 3 229.1405 1.27
+  232.1334 C12H16N4O- 2 232.133 1.98
+  234.1235 C10H14N6O- 1 234.1235 0.03
+  307.1655 C14H21N5O3- 4 307.165 1.75
+PK$NUM_PEAK: 86
+PK$PEAK: m/z int. rel.int.
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+  234.1235 96727.6 44
+  307.1655 84110.9 38
+//
diff --git a/Eawag/MSBNK-EAWAG-EC046758.txt b/Eawag/MSBNK-EAWAG-EC046758.txt
new file mode 100644
index 0000000000..f62dc54016
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC046758.txt
@@ -0,0 +1,216 @@
+ACCESSION: MSBNK-EAWAG-EC046758
+RECORD_TITLE: Cyanopeptolin CP1048; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M-H]-; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md16070220
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 467
+CH$NAME: Cyanopeptolin CP1048
+CH$NAME: 4-((2-benzyl-15-(3-guanidinopropyl)-21-hydroxy-5-(4-hydroxyphenethyl)-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-octanamido-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H76N10O13
+CH$EXACT_MASS: 1048.559332
+CH$SMILES: O=C(NC(C(NC(C(NC(CCCNC(N)=N)C(NC1C(N(C(C(N(C(C(NC2C(C)C)=O)CCC3=CC=C(O)C=C3)C)=O)CC4=CC=CC=C4)C(O)CC1)=O)=O)=O)C(OC2=O)C)=O)CC(O)=O)CCCCCCC
+CH$IUPAC: InChI=1S/C52H76N10O13/c1-6-7-8-9-13-18-40(64)56-37(29-42(66)67)46(69)60-44-31(4)75-51(74)43(30(2)3)59-47(70)38(25-21-32-19-22-34(63)23-20-32)61(5)50(73)39(28-33-15-11-10-12-16-33)62-41(65)26-24-36(49(62)72)58-45(68)35(57-48(44)71)17-14-27-55-52(53)54/h10-12,15-16,19-20,22-23,30-31,35-39,41,43-44,63,65H,6-9,13-14,17-18,21,24-29H2,1-5H3,(H,56,64)(H,57,71)(H,58,68)(H,59,70)(H,60,69)(H,66,67)(H4,53,54,55)
+CH$LINK: PUBCHEM CID:146684844
+CH$LINK: INCHIKEY VYXPXPDSGOMRCH-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1090
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.894 min
+MS$FOCUSED_ION: BASE_PEAK 1047.5547
+MS$FOCUSED_ION: PRECURSOR_M/Z 1047.5521
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-032j-4900000000-76bd8aa0f0688fb021bc
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  58.0298 C2H4NO- 1 58.0298 -0.74
+  58.041 CH4N3- 1 58.0411 -1.57
+  66.0349 C4H4N- 1 66.0349 -0.41
+  67.03 C3H3N2- 1 67.0302 -2.26
+  69.0346 C4H5O- 1 69.0346 -0.29
+  70.0297 C3H4NO- 1 70.0298 -1.62
+  71.025 C2H3N2O- 1 71.0251 -0.87
+  73.0407 C2H5N2O- 1 73.0407 -0.87
+  81.0221 C4H3NO- 1 81.022 1.05
+  81.0348 C5H5O- 1 81.0346 3.18
+  82.0298 C4H4NO- 1 82.0298 -0.15
+  83.025 C3H3N2O- 1 83.0251 -0.56
+  83.0618 C4H7N2- 1 83.0615 3.65
+  84.009 C3H2NO2- 1 84.0091 -0.75
+  84.0454 C4H6NO- 1 84.0455 -0.94
+  85.0407 C3H5N2O- 1 85.0407 -0.88
+  87.0565 C3H7N2O- 1 87.0564 0.84
+  91.0553 C7H7- 1 91.0553 0.21
+  92.0508 C6H6N- 1 92.0506 2.9
+  94.0296 C5H4NO- 1 94.0298 -2.32
+  95.0254 C4H3N2O- 1 95.0251 3.69
+  96.009 C4H2NO2- 1 96.0091 -0.72
+  96.0459 C5H6NO- 1 96.0455 4.2
+  97.0046 C3HN2O2- 1 97.0044 2.73
+  97.0407 C4H5N2O- 1 97.0407 -0.03
+  98.0247 C4H4NO2- 1 98.0248 -0.48
+  98.036 C3H4N3O- 1 98.036 -0.28
+  99.0199 C3H3N2O2- 1 99.02 -1.26
+  99.0564 C4H7N2O- 1 99.0564 -0.19
+  101.0357 C3H5N2O2- 1 101.0357 0.25
+  101.0723 C4H9N2O- 1 101.072 2.2
+  103.0554 C8H7- 1 103.0553 0.7
+  106.0424 C7H6O- 1 106.0424 0.14
+  107.0375 C6H5NO- 1 107.0377 -1.98
+  108.0456 C6H6NO- 1 108.0455 0.88
+  109.0408 C5H5N2O- 1 109.0407 0.85
+  110.0249 C5H4NO2- 1 110.0248 0.92
+  110.0613 C6H8NO- 1 110.0611 1.33
+  110.0725 C5H8N3- 1 110.0724 1.44
+  111.0197 C4H3N2O2- 1 111.02 -2.68
+  111.0562 C5H7N2O- 1 111.0564 -1.32
+  112.0279 C4H4N2O2- 1 112.0278 0.28
+  113.0355 C4H5N2O2- 1 113.0357 -1.34
+  116.0506 C8H6N- 1 116.0506 0.3
+  116.0716 C5H10NO2- 1 116.0717 -0.72
+  118.0424 C8H6O- 1 118.0424 -0.07
+  118.066 C8H8N- 1 118.0662 -1.48
+  119.0499 C8H7O- 1 119.0502 -2.6
+  120.0458 C7H6NO- 1 120.0455 2.3
+  122.0611 C7H8NO- 1 122.0611 -0.49
+  123.0451 C7H7O2- 1 123.0452 -0.17
+  124.0404 C6H6NO2- 1 124.0404 0.15
+  124.0517 C5H6N3O- 1 124.0516 0.8
+  125.0355 C5H5N2O2- 1 125.0357 -1.2
+  127.0877 C6H11N2O- 1 127.0877 0.49
+  130.0984 C5H12N3O- 1 130.0986 -1.24
+  133.0407 C7H5N2O- 1 133.0407 0.02
+  135.0562 C7H7N2O- 1 135.0564 -1.55
+  136.0401 C7H6NO2- 1 136.0404 -2.56
+  136.0513 C6H6N3O- 1 136.0516 -2.13
+  136.0766 C8H10NO- 1 136.0768 -1.61
+  137.0355 C6H5N2O2- 1 137.0357 -1.23
+  137.0715 C7H9N2O- 1 137.072 -3.75
+  138.0433 C6H6N2O2- 1 138.0435 -1.51
+  138.0559 C7H8NO2- 1 138.0561 -1.2
+  139.0876 C7H11N2O- 1 139.0877 -0.53
+  140.0826 C6H10N3O- 1 140.0829 -2.74
+  141.1031 C7H13N2O- 1 141.1033 -1.83
+  142.1234 C8H16NO- 1 142.1237 -2.44
+  144.1144 C6H14N3O- 1 144.1142 1.11
+  145.0291 C9H5O2- 1 145.0295 -2.96
+  147.0692 C9H9NO- 1 147.069 1.28
+  149.0719 C8H9N2O- 1 149.072 -1.08
+  151.0515 C7H7N2O2- 1 151.0513 1.42
+  152.0829 C7H10N3O- 1 152.0829 0.02
+  153.0664 C7H9N2O2- 1 153.067 -3.68
+  154.0985 C7H12N3O- 1 154.0986 -0.48
+  156.0775 C6H10N3O2- 1 156.0779 -2.37
+  160.0763 C10H10NO- 1 160.0768 -3.16
+  165.1027 C9H13N2O- 2 165.1033 -3.73
+  166.0986 C8H12N3O- 1 166.0986 -0.16
+  168.0778 C7H10N3O2- 1 168.0779 -0.19
+  169.1088 C7H13N4O- 3 169.1095 -4.15
+  170.0928 C5H10N6O- 2 170.0922 3.84
+  187.1193 C6H19O6- 3 187.1187 2.95
+  196.1082 C9H14N3O2- 2 196.1092 -4.75
+  201.1351 C7H21O6- 3 201.1344 3.46
+PK$NUM_PEAK: 87
+PK$PEAK: m/z int. rel.int.
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+  107.0375 37683 23
+  108.0456 81194.4 50
+  109.0408 149104.4 92
+  110.0249 458073.5 284
+  110.0613 74430.2 46
+  110.0725 54888.4 34
+  111.0197 177555.4 110
+  111.0562 133506.6 83
+  112.0279 354091 220
+  113.0355 209650.6 130
+  116.0506 120588.6 75
+  116.0716 1605960.1 999
+  118.0424 63416.4 39
+  118.066 102946 64
+  119.0499 129585.2 80
+  120.0458 62514.5 38
+  122.0611 59994.3 37
+  123.0451 40770.5 25
+  124.0404 175945.1 109
+  124.0517 66724.7 41
+  125.0355 1420546.6 883
+  127.0877 65112.6 40
+  130.0984 248068.8 154
+  133.0407 43232.8 26
+  135.0562 584267.9 363
+  136.0401 192313.9 119
+  136.0513 30339.3 18
+  136.0766 30134.7 18
+  137.0355 115897.4 72
+  137.0715 72662.6 45
+  138.0433 46261.8 28
+  138.0559 66837.4 41
+  139.0876 52822.9 32
+  140.0826 103964.8 64
+  141.1031 147065.4 91
+  142.1234 277557.5 172
+  144.1144 47194.4 29
+  145.0291 29070.5 18
+  147.0692 50891.6 31
+  149.0719 68223.8 42
+  151.0515 55800.8 34
+  152.0829 165913.8 103
+  153.0664 101016.1 62
+  154.0985 106773.8 66
+  156.0775 307682.6 191
+  160.0763 692233.4 430
+  165.1027 40505.6 25
+  166.0986 63314 39
+  168.0778 69822.2 43
+  169.1088 185117.2 115
+  170.0928 418230.4 260
+  187.1193 867073 539
+  196.1082 102094.8 63
+  201.1351 48874.9 30
+//
diff --git a/Eawag/MSBNK-EAWAG-EC046759.txt b/Eawag/MSBNK-EAWAG-EC046759.txt
new file mode 100644
index 0000000000..7b9b5ae2e4
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC046759.txt
@@ -0,0 +1,184 @@
+ACCESSION: MSBNK-EAWAG-EC046759
+RECORD_TITLE: Cyanopeptolin CP1048; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M-H]-; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md16070220
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 467
+CH$NAME: Cyanopeptolin CP1048
+CH$NAME: 4-((2-benzyl-15-(3-guanidinopropyl)-21-hydroxy-5-(4-hydroxyphenethyl)-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-octanamido-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H76N10O13
+CH$EXACT_MASS: 1048.559332
+CH$SMILES: O=C(NC(C(NC(C(NC(CCCNC(N)=N)C(NC1C(N(C(C(N(C(C(NC2C(C)C)=O)CCC3=CC=C(O)C=C3)C)=O)CC4=CC=CC=C4)C(O)CC1)=O)=O)=O)C(OC2=O)C)=O)CC(O)=O)CCCCCCC
+CH$IUPAC: InChI=1S/C52H76N10O13/c1-6-7-8-9-13-18-40(64)56-37(29-42(66)67)46(69)60-44-31(4)75-51(74)43(30(2)3)59-47(70)38(25-21-32-19-22-34(63)23-20-32)61(5)50(73)39(28-33-15-11-10-12-16-33)62-41(65)26-24-36(49(62)72)58-45(68)35(57-48(44)71)17-14-27-55-52(53)54/h10-12,15-16,19-20,22-23,30-31,35-39,41,43-44,63,65H,6-9,13-14,17-18,21,24-29H2,1-5H3,(H,56,64)(H,57,71)(H,58,68)(H,59,70)(H,60,69)(H,66,67)(H4,53,54,55)
+CH$LINK: PUBCHEM CID:146684844
+CH$LINK: INCHIKEY VYXPXPDSGOMRCH-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1090
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.894 min
+MS$FOCUSED_ION: BASE_PEAK 1047.5547
+MS$FOCUSED_ION: PRECURSOR_M/Z 1047.5521
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-02i2-5900000000-923f7bc0608f72bd61e2
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  58.03 C2H4NO- 1 58.0298 2.16
+  58.0409 CH4N3- 1 58.0411 -2.96
+  66.0347 C4H4N- 1 66.0349 -3.07
+  67.0301 C3H3N2- 1 67.0302 -0.66
+  69.0347 C4H5O- 1 69.0346 1.59
+  70.0298 C3H4NO- 1 70.0298 -0.75
+  71.0249 C2H3N2O- 1 71.0251 -1.94
+  73.0407 C2H5N2O- 1 73.0407 -0.87
+  80.0505 C5H6N- 1 80.0506 -1.08
+  81.0222 C4H3NO- 1 81.022 1.8
+  81.0347 C5H5O- 1 81.0346 1.77
+  81.0457 C4H5N2- 1 81.0458 -1.09
+  82.0298 C4H4NO- 1 82.0298 -0.62
+  83.0251 C3H3N2O- 1 83.0251 0.17
+  83.0617 C4H7N2- 1 83.0615 2.18
+  84.0455 C4H6NO- 1 84.0455 0.42
+  85.0407 C3H5N2O- 1 85.0407 -0.7
+  87.0562 C3H7N2O- 1 87.0564 -1.79
+  91.0553 C7H7- 1 91.0553 -0.8
+  92.0505 C6H6N- 1 92.0506 -0.41
+  95.0253 C4H3N2O- 1 95.0251 2.49
+  96.009 C4H2NO2- 1 96.0091 -0.64
+  96.0207 C3H2N3O- 1 96.0203 3.94
+  96.0457 C5H6NO- 1 96.0455 1.74
+  97.0044 C3HN2O2- 1 97.0044 0.77
+  97.0408 C4H5N2O- 1 97.0407 0.52
+  98.0246 C4H4NO2- 1 98.0248 -1.88
+  98.036 C3H4N3O- 1 98.036 -0.12
+  99.0198 C3H3N2O2- 1 99.02 -1.8
+  106.0425 C7H6O- 1 106.0424 0.43
+  108.0456 C6H6NO- 1 108.0455 0.67
+  109.0409 C5H5N2O- 1 109.0407 1.61
+  110.0248 C5H4NO2- 1 110.0248 0.71
+  110.0613 C6H8NO- 1 110.0611 1.47
+  111.0199 C4H3N2O2- 1 111.02 -0.9
+  112.0277 C4H4N2O2- 1 112.0278 -0.95
+  113.0357 C4H5N2O2- 1 113.0357 0.82
+  116.0504 C8H6N- 1 116.0506 -1.67
+  116.0716 C5H10NO2- 1 116.0717 -1.05
+  117.0347 C8H5O- 1 117.0346 0.56
+  118.0423 C8H6O- 1 118.0424 -0.78
+  118.0662 C8H8N- 1 118.0662 -0.31
+  119.0503 C8H7O- 1 119.0502 0.34
+  120.0454 C7H6NO- 1 120.0455 -0.43
+  121.0405 C6H5N2O- 1 121.0407 -2.33
+  122.061 C7H8NO- 1 122.0611 -0.74
+  123.0559 C6H7N2O- 1 123.0564 -3.6
+  124.0402 C6H6NO2- 1 124.0404 -1.27
+  125.0355 C5H5N2O2- 1 125.0357 -1.26
+  127.0514 C5H7N2O2- 1 127.0513 0.44
+  127.0878 C6H11N2O- 1 127.0877 1.15
+  130.0982 C5H12N3O- 1 130.0986 -2.88
+  133.0409 C7H5N2O- 1 133.0407 1.05
+  135.056 C7H7N2O- 1 135.0564 -2.67
+  136.0401 C7H6NO2- 1 136.0404 -2.11
+  137.0353 C6H5N2O2- 1 137.0357 -2.46
+  137.072 C7H9N2O- 1 137.072 -0.19
+  138.0433 C6H6N2O2- 1 138.0435 -1.29
+  139.0513 C6H7N2O2- 1 139.0513 0.2
+  141.1032 C7H13N2O- 1 141.1033 -1.29
+  142.1232 C8H16NO- 1 142.1237 -3.62
+  145.0292 C9H5O2- 1 145.0295 -1.8
+  146.037 C9H6O2- 1 146.0373 -1.96
+  152.0828 C7H10N3O- 1 152.0829 -1.09
+  153.0303 C6H5N2O3- 1 153.0306 -1.43
+  153.0668 C7H9N2O2- 1 153.067 -0.99
+  156.0777 C6H10N3O2- 1 156.0779 -0.8
+  160.0764 C10H10NO- 1 160.0768 -2.68
+  169.1087 C7H13N4O- 3 169.1095 -4.51
+  170.0927 C5H10N6O- 2 170.0922 3.04
+  196.1083 C9H14N3O2- 2 196.1092 -4.2
+PK$NUM_PEAK: 71
+PK$PEAK: m/z int. rel.int.
+  58.03 40783.6 38
+  58.0409 69041.1 65
+  66.0347 92091.8 86
+  67.0301 67165.1 63
+  69.0347 50825.7 47
+  70.0298 117935.2 111
+  71.0249 155260.6 146
+  73.0407 761145.6 716
+  80.0505 35836.3 33
+  81.0222 54126.3 50
+  81.0347 57645 54
+  81.0457 33466.6 31
+  82.0298 151480.9 142
+  83.0251 143238.4 134
+  83.0617 60795.9 57
+  84.0455 27796.5 26
+  85.0407 266851.8 251
+  87.0562 125791 118
+  91.0553 93084.2 87
+  92.0505 42822.8 40
+  95.0253 48734.2 45
+  96.009 629256.6 592
+  96.0207 32649.3 30
+  96.0457 40628.4 38
+  97.0044 49520.4 46
+  97.0408 70360.9 66
+  98.0246 302490.4 284
+  98.036 92163.8 86
+  99.0198 362143 340
+  106.0425 226743 213
+  108.0456 79919.3 75
+  109.0409 140649.2 132
+  110.0248 348907.9 328
+  110.0613 37099.6 34
+  111.0199 156483.8 147
+  112.0277 319571.7 300
+  113.0357 127488.2 120
+  116.0504 97484 91
+  116.0716 933076.8 878
+  117.0347 48705.9 45
+  118.0423 49331.4 46
+  118.0662 116981.4 110
+  119.0503 89840.4 84
+  120.0454 35887.1 33
+  121.0405 38081.1 35
+  122.061 27219.9 25
+  123.0559 104703.4 98
+  124.0402 93207.9 87
+  125.0355 1061066.4 999
+  127.0514 28324.3 26
+  127.0878 45010.5 42
+  130.0982 158564.3 149
+  133.0409 54023.6 50
+  135.056 338039.2 318
+  136.0401 105743.4 99
+  137.0353 117923.6 111
+  137.072 52154.8 49
+  138.0433 44534.8 41
+  139.0513 61701.6 58
+  141.1032 63825.1 60
+  142.1232 138213 130
+  145.0292 27793.3 26
+  146.037 58287.7 54
+  152.0828 107272.3 100
+  153.0303 44146.7 41
+  153.0668 70431.2 66
+  156.0777 167302.9 157
+  160.0764 268851 253
+  169.1087 146996.7 138
+  170.0927 184456.2 173
+  196.1083 38395.2 36
+//
diff --git a/Eawag/MSBNK-EAWAG-EC051201.txt b/Eawag/MSBNK-EAWAG-EC051201.txt
new file mode 100644
index 0000000000..450654bc16
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC051201.txt
@@ -0,0 +1,44 @@
+ACCESSION: MSBNK-EAWAG-EC051201
+RECORD_TITLE: Cyanopeptolin 1020; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 512
+CH$NAME: Cyanopeptolin 1020
+CH$NAME: (4S)-5-(((2S,5S,8S,11R,12S,15S,18S,21R)-2-benzyl-15-(3-((diaminomethylene)amino)propyl)-21-hydroxy-5-(4-hydroxybenzyl)-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-4-hexanamido-5-oxopentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C50H72N10O13
+CH$EXACT_MASS: 1020.528032
+CH$SMILES: C[C@H]1OC([C@@H](NC([C@@H](N(C([C@@H](N2C([C@H](CC[C@H]2O)NC([C@@H](NC([C@H]1NC([C@@H](NC(CCCCC)=O)CCC(O)=O)=O)=O)CCC/N=C(N)/N)=O)=O)CC3=CC=CC=C3)=O)C)CC(C=C4)=CC=C4O)=O)C(C)C)=O
+CH$IUPAC: InChI=1S/C50H72N10O13/c1-6-7-9-16-38(62)54-34(22-24-40(64)65)44(67)58-42-29(4)73-49(72)41(28(2)3)57-45(68)36(26-31-17-19-32(61)20-18-31)59(5)48(71)37(27-30-13-10-8-11-14-30)60-39(63)23-21-35(47(60)70)56-43(66)33(55-46(42)69)15-12-25-53-50(51)52/h8,10-11,13-14,17-20,28-29,33-37,39,41-42,61,63H,6-7,9,12,15-16,21-27H2,1-5H3,(H,54,62)(H,55,69)(H,56,66)(H,57,68)(H,58,67)(H,64,65)(H4,51,52,53)/t29-,33+,34+,35+,36+,37+,39-,41+,42+/m1/s1
+CH$LINK: PUBCHEM CID:46830813
+CH$LINK: INCHIKEY NYXUAFLMUQAJPS-AYGLBTBXSA-N
+CH$LINK: CHEMSPIDER 25060986
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1063
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.633 min
+MS$FOCUSED_ION: BASE_PEAK 1021.5354
+MS$FOCUSED_ION: PRECURSOR_M/Z 1021.5353
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00di-9000000000-0ffbb63f89e6098f2dcf
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  1021.536 C50H73N10O13+ 1 1021.5353 0.71
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  1021.536 17845348 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC051202.txt b/Eawag/MSBNK-EAWAG-EC051202.txt
new file mode 100644
index 0000000000..512b161f65
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC051202.txt
@@ -0,0 +1,48 @@
+ACCESSION: MSBNK-EAWAG-EC051202
+RECORD_TITLE: Cyanopeptolin 1020; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 512
+CH$NAME: Cyanopeptolin 1020
+CH$NAME: (4S)-5-(((2S,5S,8S,11R,12S,15S,18S,21R)-2-benzyl-15-(3-((diaminomethylene)amino)propyl)-21-hydroxy-5-(4-hydroxybenzyl)-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-4-hexanamido-5-oxopentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C50H72N10O13
+CH$EXACT_MASS: 1020.528032
+CH$SMILES: C[C@H]1OC([C@@H](NC([C@@H](N(C([C@@H](N2C([C@H](CC[C@H]2O)NC([C@@H](NC([C@H]1NC([C@@H](NC(CCCCC)=O)CCC(O)=O)=O)=O)CCC/N=C(N)/N)=O)=O)CC3=CC=CC=C3)=O)C)CC(C=C4)=CC=C4O)=O)C(C)C)=O
+CH$IUPAC: InChI=1S/C50H72N10O13/c1-6-7-9-16-38(62)54-34(22-24-40(64)65)44(67)58-42-29(4)73-49(72)41(28(2)3)57-45(68)36(26-31-17-19-32(61)20-18-31)59(5)48(71)37(27-30-13-10-8-11-14-30)60-39(63)23-21-35(47(60)70)56-43(66)33(55-46(42)69)15-12-25-53-50(51)52/h8,10-11,13-14,17-20,28-29,33-37,39,41-42,61,63H,6-7,9,12,15-16,21-27H2,1-5H3,(H,54,62)(H,55,69)(H,56,66)(H,57,68)(H,58,67)(H,64,65)(H4,51,52,53)/t29-,33+,34+,35+,36+,37+,39-,41+,42+/m1/s1
+CH$LINK: PUBCHEM CID:46830813
+CH$LINK: INCHIKEY NYXUAFLMUQAJPS-AYGLBTBXSA-N
+CH$LINK: CHEMSPIDER 25060986
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1063
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.633 min
+MS$FOCUSED_ION: BASE_PEAK 1021.5354
+MS$FOCUSED_ION: PRECURSOR_M/Z 1021.5353
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00di-9000000000-265317a260fe3cef9e35
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  794.4173 C36H58N8O12+ 9 794.4169 0.56
+  1003.5239 C50H71N10O12+ 1 1003.5247 -0.89
+  1021.536 C50H73N10O13+ 1 1021.5353 0.71
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  794.4173 623876.8 52
+  1003.5239 1175094.8 98
+  1021.536 11933471 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC051203.txt b/Eawag/MSBNK-EAWAG-EC051203.txt
new file mode 100644
index 0000000000..21510b3f99
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC051203.txt
@@ -0,0 +1,50 @@
+ACCESSION: MSBNK-EAWAG-EC051203
+RECORD_TITLE: Cyanopeptolin 1020; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 512
+CH$NAME: Cyanopeptolin 1020
+CH$NAME: (4S)-5-(((2S,5S,8S,11R,12S,15S,18S,21R)-2-benzyl-15-(3-((diaminomethylene)amino)propyl)-21-hydroxy-5-(4-hydroxybenzyl)-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-4-hexanamido-5-oxopentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C50H72N10O13
+CH$EXACT_MASS: 1020.528032
+CH$SMILES: C[C@H]1OC([C@@H](NC([C@@H](N(C([C@@H](N2C([C@H](CC[C@H]2O)NC([C@@H](NC([C@H]1NC([C@@H](NC(CCCCC)=O)CCC(O)=O)=O)=O)CCC/N=C(N)/N)=O)=O)CC3=CC=CC=C3)=O)C)CC(C=C4)=CC=C4O)=O)C(C)C)=O
+CH$IUPAC: InChI=1S/C50H72N10O13/c1-6-7-9-16-38(62)54-34(22-24-40(64)65)44(67)58-42-29(4)73-49(72)41(28(2)3)57-45(68)36(26-31-17-19-32(61)20-18-31)59(5)48(71)37(27-30-13-10-8-11-14-30)60-39(63)23-21-35(47(60)70)56-43(66)33(55-46(42)69)15-12-25-53-50(51)52/h8,10-11,13-14,17-20,28-29,33-37,39,41-42,61,63H,6-7,9,12,15-16,21-27H2,1-5H3,(H,54,62)(H,55,69)(H,56,66)(H,57,68)(H,58,67)(H,64,65)(H4,51,52,53)/t29-,33+,34+,35+,36+,37+,39-,41+,42+/m1/s1
+CH$LINK: PUBCHEM CID:46830813
+CH$LINK: INCHIKEY NYXUAFLMUQAJPS-AYGLBTBXSA-N
+CH$LINK: CHEMSPIDER 25060986
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1063
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.633 min
+MS$FOCUSED_ION: BASE_PEAK 1021.5354
+MS$FOCUSED_ION: PRECURSOR_M/Z 1021.5353
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00di-9000000000-987a4355ddf596f101af
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  150.0913 C9H12NO+ 1 150.0913 -0.02
+  243.1119 C14H15N2O2+ 2 243.1128 -3.67
+  1003.5253 C50H71N10O12+ 1 1003.5247 0.51
+  1021.5355 C50H73N10O13+ 1 1021.5353 0.24
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  150.0913 240690.8 47
+  243.1119 125950.6 24
+  1003.5253 2081079 411
+  1021.5355 5053487 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC051204.txt b/Eawag/MSBNK-EAWAG-EC051204.txt
new file mode 100644
index 0000000000..609cd53f27
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC051204.txt
@@ -0,0 +1,62 @@
+ACCESSION: MSBNK-EAWAG-EC051204
+RECORD_TITLE: Cyanopeptolin 1020; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 512
+CH$NAME: Cyanopeptolin 1020
+CH$NAME: (4S)-5-(((2S,5S,8S,11R,12S,15S,18S,21R)-2-benzyl-15-(3-((diaminomethylene)amino)propyl)-21-hydroxy-5-(4-hydroxybenzyl)-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-4-hexanamido-5-oxopentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C50H72N10O13
+CH$EXACT_MASS: 1020.528032
+CH$SMILES: C[C@H]1OC([C@@H](NC([C@@H](N(C([C@@H](N2C([C@H](CC[C@H]2O)NC([C@@H](NC([C@H]1NC([C@@H](NC(CCCCC)=O)CCC(O)=O)=O)=O)CCC/N=C(N)/N)=O)=O)CC3=CC=CC=C3)=O)C)CC(C=C4)=CC=C4O)=O)C(C)C)=O
+CH$IUPAC: InChI=1S/C50H72N10O13/c1-6-7-9-16-38(62)54-34(22-24-40(64)65)44(67)58-42-29(4)73-49(72)41(28(2)3)57-45(68)36(26-31-17-19-32(61)20-18-31)59(5)48(71)37(27-30-13-10-8-11-14-30)60-39(63)23-21-35(47(60)70)56-43(66)33(55-46(42)69)15-12-25-53-50(51)52/h8,10-11,13-14,17-20,28-29,33-37,39,41-42,61,63H,6-7,9,12,15-16,21-27H2,1-5H3,(H,54,62)(H,55,69)(H,56,66)(H,57,68)(H,58,67)(H,64,65)(H4,51,52,53)/t29-,33+,34+,35+,36+,37+,39-,41+,42+/m1/s1
+CH$LINK: PUBCHEM CID:46830813
+CH$LINK: INCHIKEY NYXUAFLMUQAJPS-AYGLBTBXSA-N
+CH$LINK: CHEMSPIDER 25060986
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1063
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.633 min
+MS$FOCUSED_ION: BASE_PEAK 1021.5354
+MS$FOCUSED_ION: PRECURSOR_M/Z 1021.5353
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0uk9-9650200000-c5655500ad977127d915
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  70.0651 C4H8N+ 1 70.0651 -0.84
+  112.087 C5H10N3+ 1 112.0869 0.71
+  150.0913 C9H12NO+ 1 150.0913 -0.52
+  223.1185 C10H15N4O2+ 3 223.119 -2.09
+  241.1297 C10H17N4O3+ 2 241.1295 0.68
+  243.1126 C14H15N2O2+ 4 243.1128 -0.97
+  295.165 C15H23N2O4+ 3 295.1652 -0.95
+  467.2623 C21H35N6O6+ 7 467.2613 2.22
+  1003.5262 C50H71N10O12+ 1 1003.5247 1.43
+  1021.5365 C50H73N10O13+ 1 1021.5353 1.13
+PK$NUM_PEAK: 10
+PK$PEAK: m/z int. rel.int.
+  70.0651 337844.3 142
+  112.087 351135.2 148
+  150.0913 2369728 999
+  223.1185 442821.1 186
+  241.1297 128676.1 54
+  243.1126 1192166 502
+  295.165 381625.2 160
+  467.2623 930031.6 392
+  1003.5262 1777770 749
+  1021.5365 1633546.8 688
+//
diff --git a/Eawag/MSBNK-EAWAG-EC051205.txt b/Eawag/MSBNK-EAWAG-EC051205.txt
new file mode 100644
index 0000000000..a0d7ccb3ec
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC051205.txt
@@ -0,0 +1,108 @@
+ACCESSION: MSBNK-EAWAG-EC051205
+RECORD_TITLE: Cyanopeptolin 1020; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 512
+CH$NAME: Cyanopeptolin 1020
+CH$NAME: (4S)-5-(((2S,5S,8S,11R,12S,15S,18S,21R)-2-benzyl-15-(3-((diaminomethylene)amino)propyl)-21-hydroxy-5-(4-hydroxybenzyl)-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-4-hexanamido-5-oxopentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C50H72N10O13
+CH$EXACT_MASS: 1020.528032
+CH$SMILES: C[C@H]1OC([C@@H](NC([C@@H](N(C([C@@H](N2C([C@H](CC[C@H]2O)NC([C@@H](NC([C@H]1NC([C@@H](NC(CCCCC)=O)CCC(O)=O)=O)=O)CCC/N=C(N)/N)=O)=O)CC3=CC=CC=C3)=O)C)CC(C=C4)=CC=C4O)=O)C(C)C)=O
+CH$IUPAC: InChI=1S/C50H72N10O13/c1-6-7-9-16-38(62)54-34(22-24-40(64)65)44(67)58-42-29(4)73-49(72)41(28(2)3)57-45(68)36(26-31-17-19-32(61)20-18-31)59(5)48(71)37(27-30-13-10-8-11-14-30)60-39(63)23-21-35(47(60)70)56-43(66)33(55-46(42)69)15-12-25-53-50(51)52/h8,10-11,13-14,17-20,28-29,33-37,39,41-42,61,63H,6-7,9,12,15-16,21-27H2,1-5H3,(H,54,62)(H,55,69)(H,56,66)(H,57,68)(H,58,67)(H,64,65)(H4,51,52,53)/t29-,33+,34+,35+,36+,37+,39-,41+,42+/m1/s1
+CH$LINK: PUBCHEM CID:46830813
+CH$LINK: INCHIKEY NYXUAFLMUQAJPS-AYGLBTBXSA-N
+CH$LINK: CHEMSPIDER 25060986
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1063
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.633 min
+MS$FOCUSED_ION: BASE_PEAK 1021.5354
+MS$FOCUSED_ION: PRECURSOR_M/Z 1021.5353
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0uk9-2951000000-2600e293521cd4ac6b30
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  70.0652 C4H8N+ 1 70.0651 0.57
+  72.0808 C4H10N+ 1 72.0808 1.02
+  84.0444 C4H6NO+ 1 84.0444 0.6
+  102.055 C4H8NO2+ 1 102.055 0.13
+  112.0869 C5H10N3+ 1 112.0869 -0.11
+  113.071 C5H9N2O+ 1 113.0709 0.57
+  120.0808 C8H10N+ 1 120.0808 0.32
+  138.0664 C6H8N3O+ 1 138.0662 1.81
+  140.0815 C6H10N3O+ 1 140.0818 -2.25
+  146.0963 C10H12N+ 1 146.0964 -1.18
+  150.0913 C9H12NO+ 1 150.0913 -0.52
+  153.1022 C8H13N2O+ 1 153.1022 0.04
+  157.108 C6H13N4O+ 1 157.1084 -2.71
+  158.096 C11H12N+ 1 158.0964 -2.61
+  170.0966 C12H12N+ 1 170.0964 1.28
+  179.1291 C9H15N4+ 1 179.1291 0.01
+  187.1227 C12H15N2+ 1 187.123 -1.52
+  195.1237 C9H15N4O+ 1 195.124 -1.64
+  200.1273 C10H18NO3+ 2 200.1281 -4.14
+  213.0867 C9H13N2O4+ 2 213.087 -1.48
+  215.1175 C13H15N2O+ 3 215.1179 -1.85
+  223.1185 C10H15N4O2+ 3 223.119 -2.16
+  228.1229 C11H18NO4+ 1 228.123 -0.49
+  240.1458 C10H18N5O2+ 2 240.1455 1.24
+  241.129 C10H17N4O3+ 3 241.1295 -2.23
+  243.1122 C14H15N2O2+ 4 243.1128 -2.29
+  295.1653 C15H23N2O4+ 4 295.1652 0.08
+  308.1281 C19H18NO3+ 5 308.1281 0.03
+  311.16 C13H21N5O4+ 5 311.1588 3.9
+  325.1555 C5H23N7O9+ 5 325.1552 0.85
+  334.15 C15H20N5O4+ 5 334.151 -3.03
+  347.1742 C20H21N5O+ 9 347.1741 0.52
+  450.2356 C7H34N10O12+ 9 450.2352 0.85
+PK$NUM_PEAK: 33
+PK$PEAK: m/z int. rel.int.
+  70.0652 3793776.5 446
+  72.0808 291075.8 34
+  84.0444 922461.7 108
+  102.055 1109309.1 130
+  112.0869 1895630.9 222
+  113.071 1392300.4 163
+  120.0808 1747591.6 205
+  138.0664 670857.2 78
+  140.0815 89969.9 10
+  146.0963 203920.3 23
+  150.0913 8492310 999
+  153.1022 166824.4 19
+  157.108 390995.4 45
+  158.096 397918.4 46
+  170.0966 414033.8 48
+  179.1291 303503.4 35
+  187.1227 942621.7 110
+  195.1237 263361.4 30
+  200.1273 452338.2 53
+  213.0867 237071.4 27
+  215.1175 3300728.2 388
+  223.1185 1728122.2 203
+  228.1229 1577799.4 185
+  240.1458 466846.2 54
+  241.129 1049259.5 123
+  243.1122 1987451.5 233
+  295.1653 858060 100
+  308.1281 1277676.2 150
+  311.16 668077 78
+  325.1555 185666.5 21
+  334.15 911061.9 107
+  347.1742 645249.2 75
+  450.2356 1408333.1 165
+//
diff --git a/Eawag/MSBNK-EAWAG-EC051206.txt b/Eawag/MSBNK-EAWAG-EC051206.txt
new file mode 100644
index 0000000000..ae0c49c022
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC051206.txt
@@ -0,0 +1,140 @@
+ACCESSION: MSBNK-EAWAG-EC051206
+RECORD_TITLE: Cyanopeptolin 1020; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 512
+CH$NAME: Cyanopeptolin 1020
+CH$NAME: (4S)-5-(((2S,5S,8S,11R,12S,15S,18S,21R)-2-benzyl-15-(3-((diaminomethylene)amino)propyl)-21-hydroxy-5-(4-hydroxybenzyl)-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-4-hexanamido-5-oxopentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C50H72N10O13
+CH$EXACT_MASS: 1020.528032
+CH$SMILES: C[C@H]1OC([C@@H](NC([C@@H](N(C([C@@H](N2C([C@H](CC[C@H]2O)NC([C@@H](NC([C@H]1NC([C@@H](NC(CCCCC)=O)CCC(O)=O)=O)=O)CCC/N=C(N)/N)=O)=O)CC3=CC=CC=C3)=O)C)CC(C=C4)=CC=C4O)=O)C(C)C)=O
+CH$IUPAC: InChI=1S/C50H72N10O13/c1-6-7-9-16-38(62)54-34(22-24-40(64)65)44(67)58-42-29(4)73-49(72)41(28(2)3)57-45(68)36(26-31-17-19-32(61)20-18-31)59(5)48(71)37(27-30-13-10-8-11-14-30)60-39(63)23-21-35(47(60)70)56-43(66)33(55-46(42)69)15-12-25-53-50(51)52/h8,10-11,13-14,17-20,28-29,33-37,39,41-42,61,63H,6-7,9,12,15-16,21-27H2,1-5H3,(H,54,62)(H,55,69)(H,56,66)(H,57,68)(H,58,67)(H,64,65)(H4,51,52,53)/t29-,33+,34+,35+,36+,37+,39-,41+,42+/m1/s1
+CH$LINK: PUBCHEM CID:46830813
+CH$LINK: INCHIKEY NYXUAFLMUQAJPS-AYGLBTBXSA-N
+CH$LINK: CHEMSPIDER 25060986
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1063
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.633 min
+MS$FOCUSED_ION: BASE_PEAK 1021.5354
+MS$FOCUSED_ION: PRECURSOR_M/Z 1021.5353
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0fk9-4910000000-ec9d03220fb285329afd
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  56.0496 C3H6N+ 1 56.0495 1.33
+  60.0557 CH6N3+ 1 60.0556 1.27
+  68.0495 C4H6N+ 1 68.0495 0.97
+  69.0337 C4H5O+ 1 69.0335 2.89
+  70.0652 C4H8N+ 1 70.0651 0.79
+  72.0808 C4H10N+ 1 72.0808 0.28
+  74.0603 C3H8NO+ 1 74.06 3.3
+  84.0445 C4H6NO+ 1 84.0444 0.78
+  85.0761 C4H9N2+ 1 85.076 0.52
+  86.0599 C4H8NO+ 1 86.06 -2.1
+  91.0545 C7H7+ 1 91.0542 3.07
+  95.0605 C5H7N2+ 1 95.0604 0.98
+  99.0807 C6H11O+ 1 99.0804 2.37
+  102.055 C4H8NO2+ 1 102.055 0.57
+  107.0492 C7H7O+ 1 107.0491 0.39
+  112.087 C5H10N3+ 1 112.0869 0.3
+  113.071 C5H9N2O+ 1 113.0709 0.5
+  114.055 C5H8NO2+ 1 114.055 0.83
+  114.1027 C5H12N3+ 1 114.1026 0.86
+  115.0867 C5H11N2O+ 1 115.0866 0.84
+  120.0808 C8H10N+ 1 120.0808 0.19
+  121.065 C8H9O+ 1 121.0648 2.06
+  138.0661 C6H8N3O+ 1 138.0662 -0.85
+  141.1027 C7H13N2O+ 1 141.1022 3.26
+  146.0964 C10H12N+ 1 146.0964 -0.35
+  149.0711 C8H9N2O+ 1 149.0709 0.91
+  150.0913 C9H12NO+ 1 150.0913 -0.42
+  153.1023 C8H13N2O+ 1 153.1022 0.54
+  158.0964 C11H12N+ 1 158.0964 -0.2
+  162.1024 C9H12N3+ 1 162.1026 -1.26
+  166.0972 C8H12N3O+ 1 166.0975 -1.7
+  167.0813 C8H11N2O2+ 1 167.0815 -1.29
+  170.0962 C12H12N+ 1 170.0964 -1.5
+  180.1128 C9H14N3O+ 1 180.1131 -1.84
+  182.0925 C8H12N3O2+ 1 182.0924 0.47
+  187.1228 C12H15N2+ 1 187.123 -1.11
+  195.0763 C9H11N2O3+ 1 195.0764 -0.72
+  195.1239 C9H15N4O+ 1 195.124 -0.78
+  212.1021 C9H14N3O3+ 2 212.103 -4.16
+  215.1176 C13H15N2O+ 2 215.1179 -1.15
+  223.1189 C10H15N4O2+ 1 223.119 -0.04
+  226.086 C14H12NO2+ 3 226.0863 -1.22
+  228.1227 C11H18NO4+ 2 228.123 -1.56
+  241.1298 C10H17N4O3+ 2 241.1295 1.32
+  243.1132 C14H15N2O2+ 3 243.1128 1.72
+  251.1137 C11H15N4O3+ 3 251.1139 -0.58
+  308.1276 C19H18NO3+ 5 308.1281 -1.75
+  334.1505 C15H20N5O4+ 4 334.151 -1.56
+  347.1743 C20H21N5O+ 9 347.1741 0.61
+PK$NUM_PEAK: 49
+PK$PEAK: m/z int. rel.int.
+  56.0496 396533.5 37
+  60.0557 134468.1 12
+  68.0495 1109386.5 105
+  69.0337 170335.1 16
+  70.0652 9319617 887
+  72.0808 818988.5 77
+  74.0603 557665.9 53
+  84.0445 3226278.8 307
+  85.0761 263528.2 25
+  86.0599 145095.5 13
+  91.0545 338873.3 32
+  95.0605 376514.9 35
+  99.0807 128181.1 12
+  102.055 3665400.5 348
+  107.0492 241384.3 22
+  112.087 2608988.5 248
+  113.071 1993474.5 189
+  114.055 229146.7 21
+  114.1027 206636.7 19
+  115.0867 1152096.2 109
+  120.0808 4217237.5 401
+  121.065 413701.4 39
+  138.0661 928873.1 88
+  141.1027 211463.4 20
+  146.0964 643651.2 61
+  149.0711 514094.4 48
+  150.0913 10493335 999
+  153.1023 285198.8 27
+  158.0964 1086190 103
+  162.1024 236682.9 22
+  166.0972 163077.1 15
+  167.0813 948575.1 90
+  170.0962 1345270.1 128
+  180.1128 220918.2 21
+  182.0925 221806.8 21
+  187.1228 1039402.9 98
+  195.0763 1175912.1 111
+  195.1239 432445.2 41
+  212.1021 590210.6 56
+  215.1176 2505396.5 238
+  223.1189 1068393.8 101
+  226.086 171965.7 16
+  228.1227 991052.2 94
+  241.1298 908142.6 86
+  243.1132 433142 41
+  251.1137 304961.9 29
+  308.1276 1121543.1 106
+  334.1505 739644.4 70
+  347.1743 208797.2 19
+//
diff --git a/Eawag/MSBNK-EAWAG-EC051207.txt b/Eawag/MSBNK-EAWAG-EC051207.txt
new file mode 100644
index 0000000000..de85e913b9
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC051207.txt
@@ -0,0 +1,154 @@
+ACCESSION: MSBNK-EAWAG-EC051207
+RECORD_TITLE: Cyanopeptolin 1020; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 512
+CH$NAME: Cyanopeptolin 1020
+CH$NAME: (4S)-5-(((2S,5S,8S,11R,12S,15S,18S,21R)-2-benzyl-15-(3-((diaminomethylene)amino)propyl)-21-hydroxy-5-(4-hydroxybenzyl)-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-4-hexanamido-5-oxopentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C50H72N10O13
+CH$EXACT_MASS: 1020.528032
+CH$SMILES: C[C@H]1OC([C@@H](NC([C@@H](N(C([C@@H](N2C([C@H](CC[C@H]2O)NC([C@@H](NC([C@H]1NC([C@@H](NC(CCCCC)=O)CCC(O)=O)=O)=O)CCC/N=C(N)/N)=O)=O)CC3=CC=CC=C3)=O)C)CC(C=C4)=CC=C4O)=O)C(C)C)=O
+CH$IUPAC: InChI=1S/C50H72N10O13/c1-6-7-9-16-38(62)54-34(22-24-40(64)65)44(67)58-42-29(4)73-49(72)41(28(2)3)57-45(68)36(26-31-17-19-32(61)20-18-31)59(5)48(71)37(27-30-13-10-8-11-14-30)60-39(63)23-21-35(47(60)70)56-43(66)33(55-46(42)69)15-12-25-53-50(51)52/h8,10-11,13-14,17-20,28-29,33-37,39,41-42,61,63H,6-7,9,12,15-16,21-27H2,1-5H3,(H,54,62)(H,55,69)(H,56,66)(H,57,68)(H,58,67)(H,64,65)(H4,51,52,53)/t29-,33+,34+,35+,36+,37+,39-,41+,42+/m1/s1
+CH$LINK: PUBCHEM CID:46830813
+CH$LINK: INCHIKEY NYXUAFLMUQAJPS-AYGLBTBXSA-N
+CH$LINK: CHEMSPIDER 25060986
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1063
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.633 min
+MS$FOCUSED_ION: BASE_PEAK 1021.5354
+MS$FOCUSED_ION: PRECURSOR_M/Z 1021.5353
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0fk9-6900000000-1bf70d09dc784c0a9e9a
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  56.0494 C3H6N+ 1 56.0495 -1.05
+  58.0652 C3H8N+ 1 58.0651 1.97
+  60.0556 CH6N3+ 1 60.0556 -1.09
+  68.0495 C4H6N+ 1 68.0495 0.52
+  69.0336 C4H5O+ 1 69.0335 1.57
+  70.0652 C4H8N+ 1 70.0651 0.46
+  71.0493 C4H7O+ 1 71.0491 2.01
+  71.0856 C5H11+ 1 71.0855 1.36
+  72.0809 C4H10N+ 1 72.0808 1.55
+  74.0601 C3H8NO+ 1 74.06 0.62
+  80.0495 C5H6N+ 1 80.0495 0.69
+  84.0444 C4H6NO+ 1 84.0444 0.69
+  85.0761 C4H9N2+ 1 85.076 0.79
+  86.0602 C4H8NO+ 1 86.06 1.89
+  91.0543 C7H7+ 1 91.0542 0.89
+  95.0605 C5H7N2+ 1 95.0604 0.82
+  96.0445 C5H6NO+ 1 96.0444 1.45
+  97.076 C5H9N2+ 1 97.076 -0.25
+  99.0805 C6H11O+ 1 99.0804 0.67
+  101.071 C4H9N2O+ 1 101.0709 0.14
+  102.055 C4H8NO2+ 1 102.055 0.05
+  107.0491 C7H7O+ 1 107.0491 -0.33
+  112.087 C5H10N3+ 1 112.0869 0.3
+  113.071 C5H9N2O+ 1 113.0709 0.3
+  114.0551 C5H8NO2+ 1 114.055 1.23
+  114.1028 C5H12N3+ 1 114.1026 1.93
+  115.0865 C5H11N2O+ 1 115.0866 -0.42
+  119.0493 C8H7O+ 1 119.0491 1.14
+  120.0808 C8H10N+ 1 120.0808 0
+  121.0286 C7H5O2+ 1 121.0284 1.44
+  121.0647 C8H9O+ 1 121.0648 -0.83
+  125.0711 C6H9N2O+ 1 125.0709 1.12
+  138.0658 C6H8N3O+ 1 138.0662 -2.62
+  138.0916 C8H12NO+ 1 138.0913 1.54
+  139.0863 C7H11N2O+ 1 139.0866 -2.29
+  140.0821 C6H10N3O+ 1 140.0818 1.67
+  141.102 C7H13N2O+ 1 141.1022 -1.5
+  146.0966 C10H12N+ 1 146.0964 1.43
+  149.0708 C8H9N2O+ 1 149.0709 -0.94
+  150.0912 C9H12NO+ 1 150.0913 -0.93
+  157.1083 C6H13N4O+ 1 157.1084 -0.76
+  158.0962 C11H12N+ 1 158.0964 -1.65
+  167.0814 C8H11N2O2+ 1 167.0815 -0.38
+  170.0965 C12H12N+ 1 170.0964 0.39
+  180.1134 C9H14N3O+ 1 180.1131 1.3
+  182.0926 C8H12N3O2+ 1 182.0924 0.89
+  184.1082 C8H14N3O2+ 1 184.1081 1.02
+  195.0759 C9H11N2O3+ 2 195.0764 -2.84
+  195.1242 C9H15N4O+ 1 195.124 0.78
+  197.1041 C10H15NO3+ 2 197.1046 -2.62
+  198.0913 C13H12NO+ 1 198.0913 -0.1
+  200.1282 C10H18NO3+ 1 200.1281 0.51
+  212.1033 C9H14N3O3+ 2 212.103 1.74
+  215.1173 C13H15N2O+ 2 215.1179 -2.71
+  223.119 C10H15N4O2+ 1 223.119 0.16
+  264.1368 C16H16N4+ 5 264.1369 -0.59
+PK$NUM_PEAK: 56
+PK$PEAK: m/z int. rel.int.
+  56.0494 920949.4 77
+  58.0652 124473.7 10
+  60.0556 190600.9 16
+  68.0495 2070082 173
+  69.0336 218357.2 18
+  70.0652 11894705 999
+  71.0493 209424.1 17
+  71.0856 334165.1 28
+  72.0809 1073283.6 90
+  74.0601 958586.9 80
+  80.0495 149043.1 12
+  84.0444 5251027 441
+  85.0761 305957.1 25
+  86.0602 319809 26
+  91.0543 1146224.4 96
+  95.0605 807229.6 67
+  96.0445 181235.8 15
+  97.076 230691.4 19
+  99.0805 186488.8 15
+  101.071 339019.2 28
+  102.055 5063756 425
+  107.0491 532686.2 44
+  112.087 2251714 189
+  113.071 1636931 137
+  114.0551 332177.8 27
+  114.1028 225713.3 18
+  115.0865 1314816.8 110
+  119.0493 256892.6 21
+  120.0808 5016372 421
+  121.0286 252827.6 21
+  121.0647 758503.6 63
+  125.0711 169979 14
+  138.0658 727255.7 61
+  138.0916 142120.2 11
+  139.0863 184484.8 15
+  140.0821 290119.1 24
+  141.102 211878.7 17
+  146.0966 742494.7 62
+  149.0708 819742.4 68
+  150.0912 9732562 817
+  157.1083 296441.6 24
+  158.0962 1014642.7 85
+  167.0814 1237337 103
+  170.0965 1811226.9 152
+  180.1134 217004.5 18
+  182.0926 242218.6 20
+  184.1082 234959.7 19
+  195.0759 839125.3 70
+  195.1242 277115.5 23
+  197.1041 268024.7 22
+  198.0913 430673.2 36
+  200.1282 184448.8 15
+  212.1033 502695.3 42
+  215.1173 642370.2 53
+  223.119 466072.7 39
+  264.1368 131078.6 11
+//
diff --git a/Eawag/MSBNK-EAWAG-EC051208.txt b/Eawag/MSBNK-EAWAG-EC051208.txt
new file mode 100644
index 0000000000..b642d93182
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC051208.txt
@@ -0,0 +1,156 @@
+ACCESSION: MSBNK-EAWAG-EC051208
+RECORD_TITLE: Cyanopeptolin 1020; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 512
+CH$NAME: Cyanopeptolin 1020
+CH$NAME: (4S)-5-(((2S,5S,8S,11R,12S,15S,18S,21R)-2-benzyl-15-(3-((diaminomethylene)amino)propyl)-21-hydroxy-5-(4-hydroxybenzyl)-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-4-hexanamido-5-oxopentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C50H72N10O13
+CH$EXACT_MASS: 1020.528032
+CH$SMILES: C[C@H]1OC([C@@H](NC([C@@H](N(C([C@@H](N2C([C@H](CC[C@H]2O)NC([C@@H](NC([C@H]1NC([C@@H](NC(CCCCC)=O)CCC(O)=O)=O)=O)CCC/N=C(N)/N)=O)=O)CC3=CC=CC=C3)=O)C)CC(C=C4)=CC=C4O)=O)C(C)C)=O
+CH$IUPAC: InChI=1S/C50H72N10O13/c1-6-7-9-16-38(62)54-34(22-24-40(64)65)44(67)58-42-29(4)73-49(72)41(28(2)3)57-45(68)36(26-31-17-19-32(61)20-18-31)59(5)48(71)37(27-30-13-10-8-11-14-30)60-39(63)23-21-35(47(60)70)56-43(66)33(55-46(42)69)15-12-25-53-50(51)52/h8,10-11,13-14,17-20,28-29,33-37,39,41-42,61,63H,6-7,9,12,15-16,21-27H2,1-5H3,(H,54,62)(H,55,69)(H,56,66)(H,57,68)(H,58,67)(H,64,65)(H4,51,52,53)/t29-,33+,34+,35+,36+,37+,39-,41+,42+/m1/s1
+CH$LINK: PUBCHEM CID:46830813
+CH$LINK: INCHIKEY NYXUAFLMUQAJPS-AYGLBTBXSA-N
+CH$LINK: CHEMSPIDER 25060986
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1063
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.633 min
+MS$FOCUSED_ION: BASE_PEAK 1021.5354
+MS$FOCUSED_ION: PRECURSOR_M/Z 1021.5353
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0fk9-9800000000-dd6e8e239d3e5869397b
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  55.0543 C4H7+ 1 55.0542 1.43
+  56.0494 C3H6N+ 1 56.0495 -0.78
+  58.0653 C3H8N+ 1 58.0651 3.41
+  60.0557 CH6N3+ 1 60.0556 2.03
+  68.0495 C4H6N+ 1 68.0495 -0.16
+  69.0335 C4H5O+ 1 69.0335 0.13
+  70.0651 C4H8N+ 1 70.0651 -0.08
+  71.049 C4H7O+ 1 71.0491 -1.96
+  71.0855 C5H11+ 1 71.0855 -1
+  72.0807 C4H10N+ 1 72.0808 -0.46
+  74.06 C3H8NO+ 1 74.06 -0.51
+  80.0495 C5H6N+ 1 80.0495 0.22
+  84.0444 C4H6NO+ 1 84.0444 -0.3
+  85.0282 C4H5O2+ 1 85.0284 -2.49
+  85.0761 C4H9N2+ 1 85.076 1.32
+  86.0601 C4H8NO+ 1 86.06 0.29
+  91.0542 C7H7+ 1 91.0542 -0.2
+  94.0651 C6H8N+ 1 94.0651 -0.29
+  95.0604 C5H7N2+ 1 95.0604 -0.14
+  96.0444 C5H6NO+ 1 96.0444 -0.37
+  97.0761 C5H9N2+ 1 97.076 0.93
+  98.0602 C5H8NO+ 1 98.06 1.24
+  101.0709 C4H9N2O+ 1 101.0709 -0.77
+  102.0549 C4H8NO2+ 1 102.055 -0.17
+  103.0542 C8H7+ 1 103.0542 -0.01
+  105.07 C8H9+ 1 105.0699 0.95
+  107.0487 C7H7O+ 1 107.0491 -3.82
+  111.0554 C5H7N2O+ 1 111.0553 1.02
+  112.0394 C5H6NO2+ 1 112.0393 1.29
+  112.0868 C5H10N3+ 1 112.0869 -1.54
+  113.071 C5H9N2O+ 1 113.0709 0.5
+  114.0548 C5H8NO2+ 1 114.055 -1.78
+  115.0866 C5H11N2O+ 1 115.0866 -0.02
+  119.0493 C8H7O+ 1 119.0491 1.59
+  120.0807 C8H10N+ 1 120.0808 -0.64
+  121.0286 C7H5O2+ 1 121.0284 1.38
+  121.0647 C8H9O+ 1 121.0648 -0.46
+  123.0554 C6H7N2O+ 1 123.0553 1.05
+  125.0711 C6H9N2O+ 1 125.0709 0.93
+  135.0678 C8H9NO+ 1 135.0679 -0.54
+  138.0663 C6H8N3O+ 1 138.0662 0.48
+  139.0864 C7H11N2O+ 1 139.0866 -1.41
+  140.0819 C6H10N3O+ 1 140.0818 0.58
+  141.0657 C6H9N2O2+ 1 141.0659 -1.11
+  141.1022 C7H13N2O+ 1 141.1022 -0.41
+  146.0962 C10H12N+ 1 146.0964 -1.39
+  149.0708 C8H9N2O+ 1 149.0709 -1.14
+  150.0556 C8H8NO2+ 1 150.055 4.01
+  150.091 C9H12NO+ 1 150.0913 -1.95
+  153.0693 C12H9+ 1 153.0699 -3.95
+  153.1019 C8H13N2O+ 1 153.1022 -2.05
+  158.096 C11H12N+ 1 158.0964 -2.61
+  162.1024 C9H12N3+ 1 162.1026 -0.88
+  167.0816 C8H11N2O2+ 1 167.0815 0.53
+  168.0813 C12H10N+ 1 168.0808 2.94
+  170.0962 C12H12N+ 1 170.0964 -1.05
+  212.1028 C9H14N3O3+ 1 212.103 -0.78
+PK$NUM_PEAK: 57
+PK$PEAK: m/z int. rel.int.
+  55.0543 163618 12
+  56.0494 1209737.8 92
+  58.0653 152796.2 11
+  60.0557 181060.8 13
+  68.0495 2842930.5 217
+  69.0335 333679.4 25
+  70.0651 13034819 999
+  71.049 294603 22
+  71.0855 419055.9 32
+  72.0807 994873.3 76
+  74.06 859150.5 65
+  80.0495 211215.7 16
+  84.0444 7420029 568
+  85.0282 246078.7 18
+  85.0761 430515.2 32
+  86.0601 214880.1 16
+  91.0542 2413768 184
+  94.0651 169658.1 13
+  95.0604 1290629.8 98
+  96.0444 244346 18
+  97.0761 481833.7 36
+  98.0602 391731 30
+  101.0709 336542.8 25
+  102.0549 4513678.5 345
+  103.0542 227744.7 17
+  105.07 197451.8 15
+  107.0487 697711.9 53
+  111.0554 224895.5 17
+  112.0394 169794.6 13
+  112.0868 1885243.5 144
+  113.071 795342.9 60
+  114.0548 316592.5 24
+  115.0866 996795.3 76
+  119.0493 637207.2 48
+  120.0807 4205110 322
+  121.0286 165921.2 12
+  121.0647 1054643.8 80
+  123.0554 169201.5 12
+  125.0711 304021.8 23
+  135.0678 598437.7 45
+  138.0663 557254.8 42
+  139.0864 187170 14
+  140.0819 289690.9 22
+  141.0657 232338.9 17
+  141.1022 244102.9 18
+  146.0962 642048.1 49
+  149.0708 1046440.6 80
+  150.0556 666052.2 51
+  150.091 7095539.5 543
+  153.0693 186556.3 14
+  153.1019 284807 21
+  158.096 774234.3 59
+  162.1024 222065.9 17
+  167.0816 836483.3 64
+  168.0813 246360.1 18
+  170.0962 1778341.6 136
+  212.1028 206406.8 15
+//
diff --git a/Eawag/MSBNK-EAWAG-EC051209.txt b/Eawag/MSBNK-EAWAG-EC051209.txt
new file mode 100644
index 0000000000..0e0300d7ec
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC051209.txt
@@ -0,0 +1,134 @@
+ACCESSION: MSBNK-EAWAG-EC051209
+RECORD_TITLE: Cyanopeptolin 1020; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 512
+CH$NAME: Cyanopeptolin 1020
+CH$NAME: (4S)-5-(((2S,5S,8S,11R,12S,15S,18S,21R)-2-benzyl-15-(3-((diaminomethylene)amino)propyl)-21-hydroxy-5-(4-hydroxybenzyl)-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-4-hexanamido-5-oxopentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C50H72N10O13
+CH$EXACT_MASS: 1020.528032
+CH$SMILES: C[C@H]1OC([C@@H](NC([C@@H](N(C([C@@H](N2C([C@H](CC[C@H]2O)NC([C@@H](NC([C@H]1NC([C@@H](NC(CCCCC)=O)CCC(O)=O)=O)=O)CCC/N=C(N)/N)=O)=O)CC3=CC=CC=C3)=O)C)CC(C=C4)=CC=C4O)=O)C(C)C)=O
+CH$IUPAC: InChI=1S/C50H72N10O13/c1-6-7-9-16-38(62)54-34(22-24-40(64)65)44(67)58-42-29(4)73-49(72)41(28(2)3)57-45(68)36(26-31-17-19-32(61)20-18-31)59(5)48(71)37(27-30-13-10-8-11-14-30)60-39(63)23-21-35(47(60)70)56-43(66)33(55-46(42)69)15-12-25-53-50(51)52/h8,10-11,13-14,17-20,28-29,33-37,39,41-42,61,63H,6-7,9,12,15-16,21-27H2,1-5H3,(H,54,62)(H,55,69)(H,56,66)(H,57,68)(H,58,67)(H,64,65)(H4,51,52,53)/t29-,33+,34+,35+,36+,37+,39-,41+,42+/m1/s1
+CH$LINK: PUBCHEM CID:46830813
+CH$LINK: INCHIKEY NYXUAFLMUQAJPS-AYGLBTBXSA-N
+CH$LINK: CHEMSPIDER 25060986
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1063
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.633 min
+MS$FOCUSED_ION: BASE_PEAK 1021.5354
+MS$FOCUSED_ION: PRECURSOR_M/Z 1021.5353
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00di-9500000000-501b4ba10a06347e2be3
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  56.0495 C3H6N+ 1 56.0495 -0.44
+  58.0653 C3H8N+ 1 58.0651 2.43
+  68.0495 C4H6N+ 1 68.0495 0.4
+  69.0334 C4H5O+ 1 69.0335 -1.2
+  70.0651 C4H8N+ 1 70.0651 0.24
+  71.0492 C4H7O+ 1 71.0491 0.4
+  71.0856 C5H11+ 1 71.0855 1.03
+  72.0808 C4H10N+ 1 72.0808 -0.25
+  74.0602 C3H8NO+ 1 74.06 1.65
+  80.0494 C5H6N+ 1 80.0495 -0.74
+  84.0444 C4H6NO+ 1 84.0444 0.24
+  85.0285 C4H5O2+ 1 85.0284 0.92
+  85.0763 C4H9N2+ 1 85.076 2.76
+  91.0543 C7H7+ 1 91.0542 0.56
+  94.0651 C6H8N+ 1 94.0651 -0.29
+  95.0604 C5H7N2+ 1 95.0604 0.1
+  96.0443 C5H6NO+ 1 96.0444 -0.61
+  97.0759 C5H9N2+ 1 97.076 -1.19
+  98.0601 C5H8NO+ 1 98.06 0.61
+  102.055 C4H8NO2+ 1 102.055 0.27
+  103.0541 C8H7+ 1 103.0542 -1.71
+  105.0699 C8H9+ 1 105.0699 0.15
+  107.0491 C7H7O+ 1 107.0491 -0.18
+  111.0555 C5H7N2O+ 1 111.0553 1.78
+  112.0395 C5H6NO2+ 1 112.0393 1.56
+  112.0869 C5H10N3+ 1 112.0869 -0.31
+  113.0709 C5H9N2O+ 1 113.0709 -0.58
+  114.055 C5H8NO2+ 1 114.055 0.63
+  115.0869 C5H11N2O+ 1 115.0866 2.5
+  119.0492 C8H7O+ 1 119.0491 0.43
+  120.0807 C8H10N+ 1 120.0808 -0.51
+  121.0649 C8H9O+ 1 121.0648 0.68
+  122.0601 C7H8NO+ 1 122.06 0.45
+  123.0553 C6H7N2O+ 1 123.0553 -0.01
+  135.0679 C8H9NO+ 1 135.0679 0.03
+  138.0664 C6H8N3O+ 1 138.0662 1.47
+  138.091 C8H12NO+ 1 138.0913 -2.33
+  139.0863 C7H11N2O+ 1 139.0866 -1.74
+  141.0661 C6H9N2O2+ 1 141.0659 1.92
+  149.0707 C8H9N2O+ 1 149.0709 -1.86
+  150.091 C9H12NO+ 1 150.0913 -2.35
+  153.1018 C8H13N2O+ 1 153.1022 -2.85
+  158.0964 C11H12N+ 1 158.0964 -0.2
+  167.0816 C8H11N2O2+ 1 167.0815 0.53
+  170.0962 C12H12N+ 1 170.0964 -1.05
+  198.091 C13H12NO+ 2 198.0913 -1.94
+PK$NUM_PEAK: 46
+PK$PEAK: m/z int. rel.int.
+  56.0495 1554931.6 119
+  58.0653 223331.5 17
+  68.0495 2884122 220
+  69.0334 420213.3 32
+  70.0651 13043383 999
+  71.0492 165422.3 12
+  71.0856 378596.9 28
+  72.0808 877859.9 67
+  74.0602 652573.5 49
+  80.0494 360816 27
+  84.0444 7722200 591
+  85.0285 268621.4 20
+  85.0763 354979.3 27
+  91.0543 3029682 232
+  94.0651 319785.1 24
+  95.0604 1371714.1 105
+  96.0443 443821.1 33
+  97.0759 491044.9 37
+  98.0601 313227.5 23
+  102.055 2960195.8 226
+  103.0541 849591 65
+  105.0699 291905.1 22
+  107.0491 1010984.8 77
+  111.0555 164075.2 12
+  112.0395 260685 19
+  112.0869 1158872.8 88
+  113.0709 512411.6 39
+  114.055 336652.6 25
+  115.0869 617282.1 47
+  119.0492 577049.2 44
+  120.0807 3454333.5 264
+  121.0649 996033.4 76
+  122.0601 529518 40
+  123.0553 232521.7 17
+  135.0679 1103149.2 84
+  138.0664 351529.3 26
+  138.091 133996 10
+  139.0863 131852.8 10
+  141.0661 153606.3 11
+  149.0707 832661 63
+  150.091 4411232 337
+  153.1018 163530 12
+  158.0964 284502.2 21
+  167.0816 307935.9 23
+  170.0962 1180178.5 90
+  198.091 171862.5 13
+//
diff --git a/Eawag/MSBNK-EAWAG-EC051251.txt b/Eawag/MSBNK-EAWAG-EC051251.txt
new file mode 100644
index 0000000000..9074e5c78a
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC051251.txt
@@ -0,0 +1,46 @@
+ACCESSION: MSBNK-EAWAG-EC051251
+RECORD_TITLE: Cyanopeptolin 1020; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 512
+CH$NAME: Cyanopeptolin 1020
+CH$NAME: (4S)-5-(((2S,5S,8S,11R,12S,15S,18S,21R)-2-benzyl-15-(3-((diaminomethylene)amino)propyl)-21-hydroxy-5-(4-hydroxybenzyl)-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-4-hexanamido-5-oxopentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C50H72N10O13
+CH$EXACT_MASS: 1020.528032
+CH$SMILES: C[C@H]1OC([C@@H](NC([C@@H](N(C([C@@H](N2C([C@H](CC[C@H]2O)NC([C@@H](NC([C@H]1NC([C@@H](NC(CCCCC)=O)CCC(O)=O)=O)=O)CCC/N=C(N)/N)=O)=O)CC3=CC=CC=C3)=O)C)CC(C=C4)=CC=C4O)=O)C(C)C)=O
+CH$IUPAC: InChI=1S/C50H72N10O13/c1-6-7-9-16-38(62)54-34(22-24-40(64)65)44(67)58-42-29(4)73-49(72)41(28(2)3)57-45(68)36(26-31-17-19-32(61)20-18-31)59(5)48(71)37(27-30-13-10-8-11-14-30)60-39(63)23-21-35(47(60)70)56-43(66)33(55-46(42)69)15-12-25-53-50(51)52/h8,10-11,13-14,17-20,28-29,33-37,39,41-42,61,63H,6-7,9,12,15-16,21-27H2,1-5H3,(H,54,62)(H,55,69)(H,56,66)(H,57,68)(H,58,67)(H,64,65)(H4,51,52,53)/t29-,33+,34+,35+,36+,37+,39-,41+,42+/m1/s1
+CH$LINK: PUBCHEM CID:46830813
+CH$LINK: INCHIKEY NYXUAFLMUQAJPS-AYGLBTBXSA-N
+CH$LINK: CHEMSPIDER 25060986
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1061
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.620 min
+MS$FOCUSED_ION: BASE_PEAK 1019.5222
+MS$FOCUSED_ION: PRECURSOR_M/Z 1019.5208
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-014i-9000000000-4ddb36fba8976127b887
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  1001.5068 C50H69N10O12- 1 1001.5102 -3.37
+  1019.5206 C50H71N10O13- 1 1019.5208 -0.17
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  1001.5068 85908 10
+  1019.5206 8271200 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC051252.txt b/Eawag/MSBNK-EAWAG-EC051252.txt
new file mode 100644
index 0000000000..9b6419fdbc
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC051252.txt
@@ -0,0 +1,52 @@
+ACCESSION: MSBNK-EAWAG-EC051252
+RECORD_TITLE: Cyanopeptolin 1020; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 512
+CH$NAME: Cyanopeptolin 1020
+CH$NAME: (4S)-5-(((2S,5S,8S,11R,12S,15S,18S,21R)-2-benzyl-15-(3-((diaminomethylene)amino)propyl)-21-hydroxy-5-(4-hydroxybenzyl)-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-4-hexanamido-5-oxopentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C50H72N10O13
+CH$EXACT_MASS: 1020.528032
+CH$SMILES: C[C@H]1OC([C@@H](NC([C@@H](N(C([C@@H](N2C([C@H](CC[C@H]2O)NC([C@@H](NC([C@H]1NC([C@@H](NC(CCCCC)=O)CCC(O)=O)=O)=O)CCC/N=C(N)/N)=O)=O)CC3=CC=CC=C3)=O)C)CC(C=C4)=CC=C4O)=O)C(C)C)=O
+CH$IUPAC: InChI=1S/C50H72N10O13/c1-6-7-9-16-38(62)54-34(22-24-40(64)65)44(67)58-42-29(4)73-49(72)41(28(2)3)57-45(68)36(26-31-17-19-32(61)20-18-31)59(5)48(71)37(27-30-13-10-8-11-14-30)60-39(63)23-21-35(47(60)70)56-43(66)33(55-46(42)69)15-12-25-53-50(51)52/h8,10-11,13-14,17-20,28-29,33-37,39,41-42,61,63H,6-7,9,12,15-16,21-27H2,1-5H3,(H,54,62)(H,55,69)(H,56,66)(H,57,68)(H,58,67)(H,64,65)(H4,51,52,53)/t29-,33+,34+,35+,36+,37+,39-,41+,42+/m1/s1
+CH$LINK: PUBCHEM CID:46830813
+CH$LINK: INCHIKEY NYXUAFLMUQAJPS-AYGLBTBXSA-N
+CH$LINK: CHEMSPIDER 25060986
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1061
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.620 min
+MS$FOCUSED_ION: BASE_PEAK 1019.5222
+MS$FOCUSED_ION: PRECURSOR_M/Z 1019.5208
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-014i-9000000100-4ca6feee10e406d4344e
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  401.1817 C19H29O9- 6 401.1817 0.01
+  730.3886 C48H50N4O3- 12 730.3888 -0.35
+  774.4152 C50H54N4O4- 10 774.4151 0.2
+  1001.5101 C50H69N10O12- 1 1001.5102 -0.14
+  1019.5207 C50H71N10O13- 1 1019.5208 -0.05
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  401.1817 97531.5 16
+  730.3886 192246.1 33
+  774.4152 881260.7 153
+  1001.5101 258962.1 45
+  1019.5207 5733591.5 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC051253.txt b/Eawag/MSBNK-EAWAG-EC051253.txt
new file mode 100644
index 0000000000..ec313cd595
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC051253.txt
@@ -0,0 +1,58 @@
+ACCESSION: MSBNK-EAWAG-EC051253
+RECORD_TITLE: Cyanopeptolin 1020; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 512
+CH$NAME: Cyanopeptolin 1020
+CH$NAME: (4S)-5-(((2S,5S,8S,11R,12S,15S,18S,21R)-2-benzyl-15-(3-((diaminomethylene)amino)propyl)-21-hydroxy-5-(4-hydroxybenzyl)-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-4-hexanamido-5-oxopentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C50H72N10O13
+CH$EXACT_MASS: 1020.528032
+CH$SMILES: C[C@H]1OC([C@@H](NC([C@@H](N(C([C@@H](N2C([C@H](CC[C@H]2O)NC([C@@H](NC([C@H]1NC([C@@H](NC(CCCCC)=O)CCC(O)=O)=O)=O)CCC/N=C(N)/N)=O)=O)CC3=CC=CC=C3)=O)C)CC(C=C4)=CC=C4O)=O)C(C)C)=O
+CH$IUPAC: InChI=1S/C50H72N10O13/c1-6-7-9-16-38(62)54-34(22-24-40(64)65)44(67)58-42-29(4)73-49(72)41(28(2)3)57-45(68)36(26-31-17-19-32(61)20-18-31)59(5)48(71)37(27-30-13-10-8-11-14-30)60-39(63)23-21-35(47(60)70)56-43(66)33(55-46(42)69)15-12-25-53-50(51)52/h8,10-11,13-14,17-20,28-29,33-37,39,41-42,61,63H,6-7,9,12,15-16,21-27H2,1-5H3,(H,54,62)(H,55,69)(H,56,66)(H,57,68)(H,58,67)(H,64,65)(H4,51,52,53)/t29-,33+,34+,35+,36+,37+,39-,41+,42+/m1/s1
+CH$LINK: PUBCHEM CID:46830813
+CH$LINK: INCHIKEY NYXUAFLMUQAJPS-AYGLBTBXSA-N
+CH$LINK: CHEMSPIDER 25060986
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1061
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.620 min
+MS$FOCUSED_ION: BASE_PEAK 1019.5222
+MS$FOCUSED_ION: PRECURSOR_M/Z 1019.5208
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-014i-9000100700-8f6cc16c9eeac75c5eda
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  445.2456 C23H33N4O5- 7 445.2456 0
+  458.2038 C36H26- 8 458.204 -0.48
+  501.2566 C22H37N4O9- 7 501.2566 -0.05
+  730.3889 C48H50N4O3- 12 730.3888 0.06
+  774.4146 C50H54N4O4- 11 774.4151 -0.58
+  792.4046 C39H54N9O9- 8 792.405 -0.55
+  1001.5104 C50H69N10O12- 1 1001.5102 0.23
+  1019.5206 C50H71N10O13- 1 1019.5208 -0.11
+PK$NUM_PEAK: 8
+PK$PEAK: m/z int. rel.int.
+  445.2456 120572.3 51
+  458.2038 378342.4 162
+  501.2566 36851.5 15
+  730.3889 942490.9 405
+  774.4146 968028.4 416
+  792.4046 449097.1 193
+  1001.5104 451059 194
+  1019.5206 2322536.8 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC051254.txt b/Eawag/MSBNK-EAWAG-EC051254.txt
new file mode 100644
index 0000000000..9b6119af69
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC051254.txt
@@ -0,0 +1,78 @@
+ACCESSION: MSBNK-EAWAG-EC051254
+RECORD_TITLE: Cyanopeptolin 1020; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 512
+CH$NAME: Cyanopeptolin 1020
+CH$NAME: (4S)-5-(((2S,5S,8S,11R,12S,15S,18S,21R)-2-benzyl-15-(3-((diaminomethylene)amino)propyl)-21-hydroxy-5-(4-hydroxybenzyl)-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-4-hexanamido-5-oxopentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C50H72N10O13
+CH$EXACT_MASS: 1020.528032
+CH$SMILES: C[C@H]1OC([C@@H](NC([C@@H](N(C([C@@H](N2C([C@H](CC[C@H]2O)NC([C@@H](NC([C@H]1NC([C@@H](NC(CCCCC)=O)CCC(O)=O)=O)=O)CCC/N=C(N)/N)=O)=O)CC3=CC=CC=C3)=O)C)CC(C=C4)=CC=C4O)=O)C(C)C)=O
+CH$IUPAC: InChI=1S/C50H72N10O13/c1-6-7-9-16-38(62)54-34(22-24-40(64)65)44(67)58-42-29(4)73-49(72)41(28(2)3)57-45(68)36(26-31-17-19-32(61)20-18-31)59(5)48(71)37(27-30-13-10-8-11-14-30)60-39(63)23-21-35(47(60)70)56-43(66)33(55-46(42)69)15-12-25-53-50(51)52/h8,10-11,13-14,17-20,28-29,33-37,39,41-42,61,63H,6-7,9,12,15-16,21-27H2,1-5H3,(H,54,62)(H,55,69)(H,56,66)(H,57,68)(H,58,67)(H,64,65)(H4,51,52,53)/t29-,33+,34+,35+,36+,37+,39-,41+,42+/m1/s1
+CH$LINK: PUBCHEM CID:46830813
+CH$LINK: INCHIKEY NYXUAFLMUQAJPS-AYGLBTBXSA-N
+CH$LINK: CHEMSPIDER 25060986
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1061
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.620 min
+MS$FOCUSED_ION: BASE_PEAK 1019.5222
+MS$FOCUSED_ION: PRECURSOR_M/Z 1019.5208
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0a4i-2100633900-a56e9f0d3ab03915ed6a
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  127.0512 C5H7N2O2- 1 127.0513 -0.73
+  128.0351 C5H6NO3- 1 128.0353 -1.31
+  167.0456 C7H7N2O3- 2 167.0462 -3.93
+  185.0559 C5H7N5O3- 2 185.0554 2.58
+  243.1337 C9H17N5O3- 1 243.1337 0.03
+  251.1139 C10H19O7- 3 251.1136 1.25
+  323.1396 C4H25N3O13- 5 323.1393 0.99
+  401.1821 C19H29O9- 6 401.1817 0.92
+  445.245 C23H33N4O5- 8 445.2456 -1.37
+  458.2036 C36H26- 8 458.204 -0.88
+  535.2553 C28H39O10- 8 535.2549 0.86
+  557.2837 C40H35N3- 9 557.2836 0.02
+  614.3048 C42H38N4O- 10 614.3051 -0.49
+  709.3679 C36H55NO13- 11 709.3679 0.04
+  730.3887 C48H50N4O3- 12 730.3888 -0.19
+  792.4053 C39H54N9O9- 10 792.405 0.38
+  1001.5087 C50H69N10O12- 1 1001.5102 -1.48
+  1019.5218 C50H71N10O13- 1 1019.5208 1.03
+PK$NUM_PEAK: 18
+PK$PEAK: m/z int. rel.int.
+  127.0512 152377.4 177
+  128.0351 140106.5 163
+  167.0456 59369.1 69
+  185.0559 26627 30
+  243.1337 46133.4 53
+  251.1139 156412.3 181
+  323.1396 75713.5 88
+  401.1821 668997.8 778
+  445.245 192932 224
+  458.2036 544467.8 633
+  535.2553 184643 214
+  557.2837 631884.6 735
+  614.3048 844830 982
+  709.3679 858625.3 999
+  730.3887 550520 640
+  792.4053 623449.2 725
+  1001.5087 175876.7 204
+  1019.5218 374203.8 435
+//
diff --git a/Eawag/MSBNK-EAWAG-EC051255.txt b/Eawag/MSBNK-EAWAG-EC051255.txt
new file mode 100644
index 0000000000..a1e3e76ba8
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC051255.txt
@@ -0,0 +1,170 @@
+ACCESSION: MSBNK-EAWAG-EC051255
+RECORD_TITLE: Cyanopeptolin 1020; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 512
+CH$NAME: Cyanopeptolin 1020
+CH$NAME: (4S)-5-(((2S,5S,8S,11R,12S,15S,18S,21R)-2-benzyl-15-(3-((diaminomethylene)amino)propyl)-21-hydroxy-5-(4-hydroxybenzyl)-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-4-hexanamido-5-oxopentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C50H72N10O13
+CH$EXACT_MASS: 1020.528032
+CH$SMILES: C[C@H]1OC([C@@H](NC([C@@H](N(C([C@@H](N2C([C@H](CC[C@H]2O)NC([C@@H](NC([C@H]1NC([C@@H](NC(CCCCC)=O)CCC(O)=O)=O)=O)CCC/N=C(N)/N)=O)=O)CC3=CC=CC=C3)=O)C)CC(C=C4)=CC=C4O)=O)C(C)C)=O
+CH$IUPAC: InChI=1S/C50H72N10O13/c1-6-7-9-16-38(62)54-34(22-24-40(64)65)44(67)58-42-29(4)73-49(72)41(28(2)3)57-45(68)36(26-31-17-19-32(61)20-18-31)59(5)48(71)37(27-30-13-10-8-11-14-30)60-39(63)23-21-35(47(60)70)56-43(66)33(55-46(42)69)15-12-25-53-50(51)52/h8,10-11,13-14,17-20,28-29,33-37,39,41-42,61,63H,6-7,9,12,15-16,21-27H2,1-5H3,(H,54,62)(H,55,69)(H,56,66)(H,57,68)(H,58,67)(H,64,65)(H4,51,52,53)/t29-,33+,34+,35+,36+,37+,39-,41+,42+/m1/s1
+CH$LINK: PUBCHEM CID:46830813
+CH$LINK: INCHIKEY NYXUAFLMUQAJPS-AYGLBTBXSA-N
+CH$LINK: CHEMSPIDER 25060986
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1061
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.620 min
+MS$FOCUSED_ION: BASE_PEAK 1019.5222
+MS$FOCUSED_ION: PRECURSOR_M/Z 1019.5208
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-004l-0942100000-43ac87714b2018b9de37
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  84.0092 C3H2NO2- 1 84.0091 1.45
+  99.02 C3H3N2O2- 1 99.02 0.42
+  99.0564 C4H7N2O- 1 99.0564 -0.29
+  109.0405 C5H5N2O- 1 109.0407 -2.55
+  110.0248 C5H4NO2- 1 110.0248 0.25
+  111.0566 C5H7N2O- 1 111.0564 2
+  114.0926 C6H12NO- 1 114.0924 1.6
+  116.0716 C5H10NO2- 1 116.0717 -0.92
+  119.0499 C8H7O- 1 119.0502 -2.96
+  124.0403 C6H6NO2- 1 124.0404 -0.51
+  125.0352 C5H5N2O2- 1 125.0357 -3.43
+  127.0512 C5H7N2O2- 1 127.0513 -0.97
+  128.0352 C5H6NO3- 1 128.0353 -1.19
+  136.0518 C6H6N3O- 1 136.0516 0.89
+  140.0352 C6H6NO3- 1 140.0353 -0.91
+  141.0667 C6H9N2O2- 1 141.067 -1.54
+  142.0509 C6H8NO3- 1 142.051 -0.46
+  149.0719 C8H9N2O- 1 149.072 -1.05
+  150.0557 C8H8NO2- 1 150.0561 -2.39
+  153.0662 C7H9N2O2- 2 153.067 -4.8
+  154.1234 C9H16NO- 1 154.1237 -2.24
+  160.0758 C8H8N4- 1 160.0754 2.38
+  162.0558 C9H8NO2- 1 162.0561 -1.74
+  167.0458 C7H7N2O3- 1 167.0462 -2.75
+  167.0818 C8H11N2O2- 2 167.0826 -4.63
+  170.0933 C7H12N3O2- 1 170.0935 -1.33
+  171.1132 C8H15N2O2- 2 171.1139 -3.96
+  172.1201 C6H14N5O- 1 172.1204 -1.66
+  184.0721 C7H10N3O3- 2 184.0728 -3.48
+  192.0771 C9H10N3O2- 2 192.0779 -3.84
+  193.0612 C7H7N5O2- 2 193.0605 3.47
+  194.0819 C10H12NO3- 2 194.0823 -1.99
+  195.089 C8H11N4O2- 1 195.0887 1.46
+  203.082 C11H11N2O2- 2 203.0826 -2.89
+  207.0882 C9H11N4O2- 3 207.0887 -2.69
+  210.0878 C7H10N6O2- 2 210.0871 3.42
+  212.1163 C8H14N5O2- 2 212.1153 4.89
+  217.0968 C10H11N5O- 1 217.0969 -0.32
+  223.1202 C10H15N4O2- 1 223.12 0.89
+  226.1071 C9H14N4O3- 1 226.1071 -0.35
+  229.1406 C7H21N2O6- 2 229.1405 0.51
+  232.0853 C12H12N2O3- 1 232.0853 0
+  234.0882 C9H10N6O2- 2 234.0871 4.97
+  234.1252 C12H16N3O2- 2 234.1248 1.74
+  236.1399 C12H18N3O2- 2 236.1405 -2.46
+  238.1301 C9H20NO6- 3 238.1296 2.06
+  241.1302 C10H17N4O3- 3 241.1306 -1.64
+  246.1238 C13H16N3O2- 2 246.1248 -4.23
+  251.1142 C10H19O7- 3 251.1136 2.35
+  260.1031 C13H14N3O3- 2 260.1041 -3.86
+  270.1932 C11H28NO6- 3 270.1922 3.63
+  293.1501 C15H21N2O4- 3 293.1507 -1.93
+  323.1395 C4H25N3O13- 6 323.1393 0.8
+  345.1562 C17H21N4O4- 5 345.1568 -1.69
+  373.196 CH29N10O12- 5 373.1972 -3.1
+  390.2246 C3H34N8O13- 7 390.2251 -1.11
+  402.1732 C13H28N3O11- 7 402.1729 0.73
+  440.2191 C23H24N10- 7 440.2191 0.01
+  446.2524 C22H38O9- 6 446.2521 0.58
+  458.2032 C21H32NO10- 6 458.2032 0.06
+  557.2835 C40H35N3- 9 557.2836 -0.31
+  614.3052 C42H38N4O- 12 614.3051 0.21
+  692.341 C49H44N2O2- 12 692.3408 0.21
+  709.3685 C36H55NO13- 10 709.3679 0.81
+PK$NUM_PEAK: 64
+PK$PEAK: m/z int. rel.int.
+  84.0092 38477 57
+  99.02 39233.7 58
+  99.0564 100383.6 150
+  109.0405 47216.2 70
+  110.0248 34516.9 51
+  111.0566 37574.3 56
+  114.0926 39923.6 59
+  116.0716 283048.6 423
+  119.0499 111400.4 166
+  124.0403 105345.4 157
+  125.0352 51666.9 77
+  127.0512 667070.8 999
+  128.0352 609102.4 912
+  136.0518 70162.5 105
+  140.0352 69293.1 103
+  141.0667 62374.8 93
+  142.0509 87881.8 131
+  149.0719 84153.3 126
+  150.0557 75608.5 113
+  153.0662 16582.8 24
+  154.1234 16311 24
+  160.0758 121281.6 181
+  162.0558 102518.5 153
+  167.0458 147044.6 220
+  167.0818 112905.1 169
+  170.0933 43191.9 64
+  171.1132 62157.5 93
+  172.1201 54004.9 80
+  184.0721 264418.5 395
+  192.0771 278319.1 416
+  193.0612 63666.9 95
+  194.0819 51708.2 77
+  195.089 167463.1 250
+  203.082 120023.1 179
+  207.0882 40004.4 59
+  210.0878 318046.4 476
+  212.1163 108685 162
+  217.0968 127150.7 190
+  223.1202 31254.2 46
+  226.1071 106677.7 159
+  229.1406 128632.3 192
+  232.0853 46295.9 69
+  234.0882 36451.9 54
+  234.1252 73695.8 110
+  236.1399 52968.3 79
+  238.1301 90978.5 136
+  241.1302 50529.6 75
+  246.1238 107410.6 160
+  251.1142 164338.8 246
+  260.1031 78785.5 117
+  270.1932 37294.6 55
+  293.1501 435438.5 652
+  323.1395 408078.7 611
+  345.1562 299948.3 449
+  373.196 29455.8 44
+  390.2246 156905.4 234
+  402.1732 129088.9 193
+  440.2191 129731.3 194
+  446.2524 120714.4 180
+  458.2032 154168.7 230
+  557.2835 193518.9 289
+  614.3052 308238.8 461
+  692.341 90533 135
+  709.3685 246094.5 368
+//
diff --git a/Eawag/MSBNK-EAWAG-EC051256.txt b/Eawag/MSBNK-EAWAG-EC051256.txt
new file mode 100644
index 0000000000..60a3075b61
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC051256.txt
@@ -0,0 +1,198 @@
+ACCESSION: MSBNK-EAWAG-EC051256
+RECORD_TITLE: Cyanopeptolin 1020; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 512
+CH$NAME: Cyanopeptolin 1020
+CH$NAME: (4S)-5-(((2S,5S,8S,11R,12S,15S,18S,21R)-2-benzyl-15-(3-((diaminomethylene)amino)propyl)-21-hydroxy-5-(4-hydroxybenzyl)-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-4-hexanamido-5-oxopentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C50H72N10O13
+CH$EXACT_MASS: 1020.528032
+CH$SMILES: C[C@H]1OC([C@@H](NC([C@@H](N(C([C@@H](N2C([C@H](CC[C@H]2O)NC([C@@H](NC([C@H]1NC([C@@H](NC(CCCCC)=O)CCC(O)=O)=O)=O)CCC/N=C(N)/N)=O)=O)CC3=CC=CC=C3)=O)C)CC(C=C4)=CC=C4O)=O)C(C)C)=O
+CH$IUPAC: InChI=1S/C50H72N10O13/c1-6-7-9-16-38(62)54-34(22-24-40(64)65)44(67)58-42-29(4)73-49(72)41(28(2)3)57-45(68)36(26-31-17-19-32(61)20-18-31)59(5)48(71)37(27-30-13-10-8-11-14-30)60-39(63)23-21-35(47(60)70)56-43(66)33(55-46(42)69)15-12-25-53-50(51)52/h8,10-11,13-14,17-20,28-29,33-37,39,41-42,61,63H,6-7,9,12,15-16,21-27H2,1-5H3,(H,54,62)(H,55,69)(H,56,66)(H,57,68)(H,58,67)(H,64,65)(H4,51,52,53)/t29-,33+,34+,35+,36+,37+,39-,41+,42+/m1/s1
+CH$LINK: PUBCHEM CID:46830813
+CH$LINK: INCHIKEY NYXUAFLMUQAJPS-AYGLBTBXSA-N
+CH$LINK: CHEMSPIDER 25060986
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1061
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.620 min
+MS$FOCUSED_ION: BASE_PEAK 1019.5222
+MS$FOCUSED_ION: PRECURSOR_M/Z 1019.5208
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-004i-0920000000-2c1b62ce59842c7d320f
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  58.0411 CH4N3- 1 58.0411 1.19
+  73.0406 C2H5N2O- 1 73.0407 -1.62
+  82.0297 C4H4NO- 1 82.0298 -2.16
+  84.0091 C3H2NO2- 1 84.0091 -0.55
+  85.0406 C3H5N2O- 1 85.0407 -1.33
+  93.0346 C6H5O- 1 93.0346 -0.16
+  99.0199 C3H3N2O2- 1 99.02 -1.36
+  99.0563 C4H7N2O- 1 99.0564 -1.36
+  101.0721 C4H9N2O- 1 101.072 0.46
+  106.0425 C7H6O- 1 106.0424 1
+  107.0502 C7H7O- 1 107.0502 -0.77
+  109.0405 C5H5N2O- 1 109.0407 -1.71
+  110.0247 C5H4NO2- 1 110.0248 -0.58
+  111.0198 C4H3N2O2- 1 111.02 -1.98
+  111.0563 C5H7N2O- 1 111.0564 -0.68
+  113.0355 C4H5N2O2- 1 113.0357 -1.39
+  114.0924 C6H12NO- 1 114.0924 -0.4
+  116.0716 C5H10NO2- 1 116.0717 -0.59
+  119.0501 C8H7O- 1 119.0502 -0.91
+  123.0564 C6H7N2O- 1 123.0564 -0.18
+  124.0404 C6H6NO2- 1 124.0404 -0.21
+  125.0356 C5H5N2O2- 1 125.0357 -0.26
+  126.0437 C5H6N2O2- 1 126.0435 2.14
+  127.0512 C5H7N2O2- 1 127.0513 -1.09
+  128.0351 C5H6NO3- 1 128.0353 -1.31
+  130.0985 C5H12N3O- 1 130.0986 -0.75
+  131.0824 C5H11N2O2- 1 131.0826 -1.77
+  135.0562 C7H7N2O- 1 135.0564 -1.12
+  136.0399 C7H6NO2- 1 136.0404 -3.8
+  136.0518 C6H6N3O- 1 136.0516 1.34
+  136.0764 C8H10NO- 1 136.0768 -2.52
+  138.067 C6H8N3O- 1 138.0673 -2.1
+  138.1036 C7H12N3- 1 138.1037 -0.51
+  139.0514 C6H7N2O2- 1 139.0513 0.74
+  140.0354 C6H6NO3- 1 140.0353 0.83
+  140.083 C6H10N3O- 1 140.0829 0.42
+  141.0665 C6H9N2O2- 1 141.067 -3.16
+  141.1029 C7H13N2O- 1 141.1033 -3.01
+  142.0505 C6H8NO3- 1 142.051 -3.26
+  147.0449 C9H7O2- 1 147.0452 -1.54
+  149.0716 C8H9N2O- 1 149.072 -3
+  152.0831 C7H10N3O- 1 152.0829 1.01
+  153.0667 C7H9N2O2- 1 153.067 -1.91
+  154.0621 C6H8N3O2- 1 154.0622 -0.85
+  156.0776 C6H10N3O2- 1 156.0779 -1.45
+  160.0763 C10H10NO- 1 160.0768 -3.06
+  162.0555 C9H8NO2- 1 162.0561 -3.25
+  166.0618 C7H8N3O2- 1 166.0622 -2.48
+  166.0985 C8H12N3O- 1 166.0986 -0.61
+  167.0458 C7H7N2O3- 1 167.0462 -2.38
+  167.082 C8H11N2O2- 2 167.0826 -3.71
+  168.0771 C7H10N3O2- 2 168.0779 -4.26
+  170.0928 C7H12N3O2- 2 170.0935 -4.2
+  171.1135 C8H15N2O2- 1 171.1139 -2.35
+  172.1204 C6H14N5O- 1 172.1204 0.03
+  184.0721 C7H10N3O3- 2 184.0728 -3.4
+  187.1205 C7H15N4O2- 1 187.12 2.14
+  192.0772 C9H10N3O2- 2 192.0779 -3.37
+  203.0818 C9H9N5O- 2 203.0813 2.67
+  210.0877 C7H10N6O2- 2 210.0871 2.76
+  213.0665 C12H9N2O2- 2 213.067 -2.12
+  217.0977 C10H11N5O- 2 217.0969 3.48
+  218.118 C13H16NO2- 2 218.1187 -2.77
+  223.1197 C10H15N4O2- 3 223.12 -1.37
+  229.1411 C7H21N2O6- 3 229.1405 2.51
+  232.0848 C12H12N2O3- 2 232.0853 -2.5
+  234.1242 C12H16N3O2- 2 234.1248 -2.69
+  241.0948 C9H13N4O4- 3 241.0942 2.57
+  241.131 C10H17N4O3- 2 241.1306 1.46
+  244.1416 C9H18N5O3- 1 244.1415 0.35
+  246.1236 C13H16N3O2- 2 246.1248 -4.92
+  251.1149 C10H19O7- 3 251.1136 4.9
+  270.1572 C11H20N5O3- 2 270.1572 0.29
+  272.1403 C15H18N3O2- 5 272.1405 -0.44
+  280.1411 C11H22NO7- 3 280.1402 3.33
+  293.1504 C15H21N2O4- 3 293.1507 -0.99
+  323.1395 C4H25N3O13- 6 323.1393 0.61
+  390.2257 C3H34N8O13- 6 390.2251 1.71
+PK$NUM_PEAK: 78
+PK$PEAK: m/z int. rel.int.
+  58.0411 27129.2 30
+  73.0406 137573.9 153
+  82.0297 72389.4 80
+  84.0091 62873.4 70
+  85.0406 140799.6 156
+  93.0346 45252.6 50
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+  99.0563 127105.8 141
+  101.0721 46848.4 52
+  106.0425 54510.8 60
+  107.0502 83960.4 93
+  109.0405 105981.1 118
+  110.0247 55613.2 61
+  111.0198 53012.1 59
+  111.0563 113911.5 126
+  113.0355 92961.7 103
+  114.0924 117430.4 130
+  116.0716 678713.1 756
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+  124.0404 188577.9 210
+  125.0356 279188.3 311
+  126.0437 66026.8 73
+  127.0512 896774.4 999
+  128.0351 870183.6 969
+  130.0985 99418.6 110
+  131.0824 23837.2 26
+  135.0562 30275.2 33
+  136.0399 32381.6 36
+  136.0518 80589.8 89
+  136.0764 20322.9 22
+  138.067 51126.3 56
+  138.1036 23537.8 26
+  139.0514 41112.2 45
+  140.0354 31723 35
+  140.083 31356 34
+  141.0665 118198.6 131
+  141.1029 139899.8 155
+  142.0505 93934.9 104
+  147.0449 37882.6 42
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+  152.0831 67842.8 75
+  153.0667 56125.5 62
+  154.0621 32840.8 36
+  156.0776 79377 88
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+  166.0985 87141.8 97
+  167.0458 159219.4 177
+  167.082 190630 212
+  168.0771 58456.1 65
+  170.0928 136901.7 152
+  171.1135 99992.1 111
+  172.1204 74616.9 83
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+  192.0772 363356.9 404
+  203.0818 157792.1 175
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+  217.0977 184671.4 205
+  218.118 206135.3 229
+  223.1197 80660.1 89
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+  232.0848 80058.7 89
+  234.1242 118933.5 132
+  241.0948 39477.5 43
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+  251.1149 35383.3 39
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+  280.1411 55268.6 61
+  293.1504 289895.6 322
+  323.1395 177282.6 197
+  390.2257 99168.4 110
+//
diff --git a/Eawag/MSBNK-EAWAG-EC051257.txt b/Eawag/MSBNK-EAWAG-EC051257.txt
new file mode 100644
index 0000000000..d71376464f
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC051257.txt
@@ -0,0 +1,218 @@
+ACCESSION: MSBNK-EAWAG-EC051257
+RECORD_TITLE: Cyanopeptolin 1020; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 512
+CH$NAME: Cyanopeptolin 1020
+CH$NAME: (4S)-5-(((2S,5S,8S,11R,12S,15S,18S,21R)-2-benzyl-15-(3-((diaminomethylene)amino)propyl)-21-hydroxy-5-(4-hydroxybenzyl)-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-4-hexanamido-5-oxopentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C50H72N10O13
+CH$EXACT_MASS: 1020.528032
+CH$SMILES: C[C@H]1OC([C@@H](NC([C@@H](N(C([C@@H](N2C([C@H](CC[C@H]2O)NC([C@@H](NC([C@H]1NC([C@@H](NC(CCCCC)=O)CCC(O)=O)=O)=O)CCC/N=C(N)/N)=O)=O)CC3=CC=CC=C3)=O)C)CC(C=C4)=CC=C4O)=O)C(C)C)=O
+CH$IUPAC: InChI=1S/C50H72N10O13/c1-6-7-9-16-38(62)54-34(22-24-40(64)65)44(67)58-42-29(4)73-49(72)41(28(2)3)57-45(68)36(26-31-17-19-32(61)20-18-31)59(5)48(71)37(27-30-13-10-8-11-14-30)60-39(63)23-21-35(47(60)70)56-43(66)33(55-46(42)69)15-12-25-53-50(51)52/h8,10-11,13-14,17-20,28-29,33-37,39,41-42,61,63H,6-7,9,12,15-16,21-27H2,1-5H3,(H,54,62)(H,55,69)(H,56,66)(H,57,68)(H,58,67)(H,64,65)(H4,51,52,53)/t29-,33+,34+,35+,36+,37+,39-,41+,42+/m1/s1
+CH$LINK: PUBCHEM CID:46830813
+CH$LINK: INCHIKEY NYXUAFLMUQAJPS-AYGLBTBXSA-N
+CH$LINK: CHEMSPIDER 25060986
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1061
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.620 min
+MS$FOCUSED_ION: BASE_PEAK 1019.5222
+MS$FOCUSED_ION: PRECURSOR_M/Z 1019.5208
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00or-1900000000-df24266167e5dcde9c63
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  58.041 CH4N3- 1 58.0411 -0.65
+  66.035 C4H4N- 1 66.0349 0.56
+  67.0302 C3H3N2- 1 67.0302 -0.18
+  68.0506 C4H6N- 1 68.0506 -0.19
+  71.0252 C2H3N2O- 1 71.0251 1.96
+  73.0407 C2H5N2O- 1 73.0407 -0.36
+  74.0249 C2H4NO2- 1 74.0248 2.52
+  82.0298 C4H4NO- 1 82.0298 -0.21
+  83.0251 C3H3N2O- 1 83.0251 -0.17
+  84.0089 C3H2NO2- 1 84.0091 -1.91
+  84.0457 C4H6NO- 1 84.0455 2.17
+  85.0406 C3H5N2O- 1 85.0407 -1.6
+  91.0555 C7H7- 1 91.0553 1.42
+  93.0347 C6H5O- 1 93.0346 1.07
+  94.0298 C5H4NO- 1 94.0298 -0.13
+  97.0408 C4H5N2O- 1 97.0407 0.37
+  99.0199 C3H3N2O2- 1 99.02 -0.97
+  99.0562 C4H7N2O- 1 99.0564 -2.13
+  100.0404 C4H6NO2- 1 100.0404 -0.12
+  101.0719 C4H9N2O- 1 101.072 -1.51
+  106.0425 C7H6O- 1 106.0424 1.14
+  107.0503 C7H7O- 1 107.0502 0.37
+  109.0407 C5H5N2O- 1 109.0407 -0.66
+  110.0249 C5H4NO2- 1 110.0248 1.43
+  111.0201 C4H3N2O2- 1 111.02 0.49
+  111.0562 C5H7N2O- 1 111.0564 -1.44
+  112.0281 C4H4N2O2- 1 112.0278 2.07
+  113.0354 C4H5N2O2- 1 113.0357 -1.86
+  113.072 C5H9N2O- 1 113.072 -0.25
+  114.0923 C6H12NO- 1 114.0924 -1.61
+  115.0764 C6H11O2- 1 115.0765 -0.62
+  116.0505 C8H6N- 1 116.0506 -0.89
+  116.0716 C5H10NO2- 1 116.0717 -0.72
+  118.0664 C8H8N- 1 118.0662 1.57
+  119.0502 C8H7O- 1 119.0502 -0.4
+  123.0565 C6H7N2O- 1 123.0564 1.18
+  124.0404 C6H6NO2- 1 124.0404 -0.33
+  125.0355 C5H5N2O2- 1 125.0357 -1.42
+  125.072 C6H9N2O- 1 125.072 0.04
+  126.0436 C5H6N2O2- 1 126.0435 1.3
+  127.0512 C5H7N2O2- 1 127.0513 -1.03
+  128.0352 C5H6NO3- 1 128.0353 -1.19
+  130.0984 C5H12N3O- 1 130.0986 -1.33
+  131.0826 C5H11N2O2- 1 131.0826 0.33
+  135.0563 C7H7N2O- 1 135.0564 -0.33
+  136.0402 C7H6NO2- 1 136.0404 -1.45
+  136.0516 C6H6N3O- 1 136.0516 -0.01
+  137.1086 C8H13N2- 1 137.1084 1.3
+  138.067 C6H8N3O- 1 138.0673 -2.33
+  139.0513 C6H7N2O2- 1 139.0513 -0.25
+  140.0829 C6H10N3O- 1 140.0829 -0.45
+  141.0668 C6H9N2O2- 1 141.067 -1
+  141.1031 C7H13N2O- 1 141.1033 -1.93
+  142.0508 C6H8NO3- 1 142.051 -1
+  143.1192 C7H15N2O- 1 143.119 1.2
+  147.0449 C9H7O2- 1 147.0452 -1.75
+  148.0768 C9H10NO- 1 148.0768 0.01
+  149.0716 C8H9N2O- 1 149.072 -3
+  151.0515 C7H7N2O2- 1 151.0513 1.12
+  152.0828 C7H10N3O- 1 152.0829 -0.9
+  156.0777 C6H10N3O2- 1 156.0779 -1.06
+  160.0763 C10H10NO- 1 160.0768 -2.96
+  162.0555 C9H8NO2- 1 162.0561 -3.15
+  166.0617 C7H8N3O2- 1 166.0622 -2.76
+  166.0978 C8H12N3O- 2 166.0986 -4.65
+  167.0457 C7H7N2O3- 2 167.0462 -3.29
+  167.0819 C8H11N2O2- 2 167.0826 -4.35
+  168.077 C7H10N3O2- 2 168.0779 -4.8
+  168.114 C8H14N3O- 1 168.1142 -1.59
+  169.1102 C7H13N4O- 2 169.1095 4.35
+  170.0928 C7H12N3O2- 2 170.0935 -4.38
+  184.0723 C7H10N3O3- 2 184.0728 -2.4
+  187.1197 C7H15N4O2- 1 187.12 -1.93
+  192.0773 C9H10N3O2- 2 192.0779 -2.73
+  195.0884 C8H11N4O2- 3 195.0887 -1.98
+  196.1076 C7H12N6O- 1 196.1078 -0.9
+  197.1048 C8H13N4O2- 2 197.1044 1.98
+  201.1352 C8H17N4O2- 3 201.1357 -2.44
+  203.0819 C9H9N5O- 2 203.0813 2.97
+  212.1149 C8H14N5O2- 3 212.1153 -1.8
+  213.099 C8H13N4O3- 3 213.0993 -1.4
+  218.1181 C13H16NO2- 2 218.1187 -2.56
+  223.1195 C10H15N4O2- 3 223.12 -2.53
+  229.1407 C7H21N2O6- 3 229.1405 1.04
+  234.1241 C12H16N3O2- 2 234.1248 -2.82
+  241.1299 C10H17N4O3- 3 241.1306 -2.9
+  244.1415 C9H18N5O3- 1 244.1415 -0.03
+  280.1409 C11H22NO7- 3 280.1402 2.46
+PK$NUM_PEAK: 88
+PK$PEAK: m/z int. rel.int.
+  58.041 54922.4 60
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+  67.0302 44300.8 49
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+  84.0457 28984.7 32
+  85.0406 225834.2 250
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+  94.0298 24449.6 27
+  97.0408 37393.6 41
+  99.0199 243493.7 269
+  99.0562 104357.3 115
+  100.0404 18980.2 21
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+  107.0503 93556.6 103
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+  110.0249 39435.5 43
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+  112.0281 102644 113
+  113.0354 137728.2 152
+  113.072 78108.3 86
+  114.0923 158078.9 175
+  115.0764 72289 80
+  116.0505 43406.7 48
+  116.0716 731415.2 809
+  118.0664 31669.6 35
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+  123.0565 112886 125
+  124.0404 242724.1 268
+  125.0355 434205.3 480
+  125.072 22511 24
+  126.0436 117523 130
+  127.0512 794510.5 879
+  128.0352 781234.4 865
+  130.0984 210411.7 233
+  131.0826 35083.8 38
+  135.0563 58629.4 64
+  136.0402 26715.7 29
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+  139.0513 76995.7 85
+  140.0829 59952.3 66
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+  152.0828 125775.6 139
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+  168.077 74680 82
+  168.114 34112.8 37
+  169.1102 132838.3 147
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+  184.0723 216798.2 240
+  187.1197 902122.9 999
+  192.0773 272456.9 301
+  195.0884 33612 37
+  196.1076 121499.3 134
+  197.1048 49499.3 54
+  201.1352 53746 59
+  203.0819 83385.5 92
+  212.1149 40354.3 44
+  213.099 41915 46
+  218.1181 144550.3 160
+  223.1195 71492.9 79
+  229.1407 139235.8 154
+  234.1241 63463.3 70
+  241.1299 34738.8 38
+  244.1415 44685.9 49
+  280.1409 68823.4 76
+//
diff --git a/Eawag/MSBNK-EAWAG-EC051258.txt b/Eawag/MSBNK-EAWAG-EC051258.txt
new file mode 100644
index 0000000000..86c52d7f9e
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC051258.txt
@@ -0,0 +1,182 @@
+ACCESSION: MSBNK-EAWAG-EC051258
+RECORD_TITLE: Cyanopeptolin 1020; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 512
+CH$NAME: Cyanopeptolin 1020
+CH$NAME: (4S)-5-(((2S,5S,8S,11R,12S,15S,18S,21R)-2-benzyl-15-(3-((diaminomethylene)amino)propyl)-21-hydroxy-5-(4-hydroxybenzyl)-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-4-hexanamido-5-oxopentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C50H72N10O13
+CH$EXACT_MASS: 1020.528032
+CH$SMILES: C[C@H]1OC([C@@H](NC([C@@H](N(C([C@@H](N2C([C@H](CC[C@H]2O)NC([C@@H](NC([C@H]1NC([C@@H](NC(CCCCC)=O)CCC(O)=O)=O)=O)CCC/N=C(N)/N)=O)=O)CC3=CC=CC=C3)=O)C)CC(C=C4)=CC=C4O)=O)C(C)C)=O
+CH$IUPAC: InChI=1S/C50H72N10O13/c1-6-7-9-16-38(62)54-34(22-24-40(64)65)44(67)58-42-29(4)73-49(72)41(28(2)3)57-45(68)36(26-31-17-19-32(61)20-18-31)59(5)48(71)37(27-30-13-10-8-11-14-30)60-39(63)23-21-35(47(60)70)56-43(66)33(55-46(42)69)15-12-25-53-50(51)52/h8,10-11,13-14,17-20,28-29,33-37,39,41-42,61,63H,6-7,9,12,15-16,21-27H2,1-5H3,(H,54,62)(H,55,69)(H,56,66)(H,57,68)(H,58,67)(H,64,65)(H4,51,52,53)/t29-,33+,34+,35+,36+,37+,39-,41+,42+/m1/s1
+CH$LINK: PUBCHEM CID:46830813
+CH$LINK: INCHIKEY NYXUAFLMUQAJPS-AYGLBTBXSA-N
+CH$LINK: CHEMSPIDER 25060986
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1061
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.620 min
+MS$FOCUSED_ION: BASE_PEAK 1019.5222
+MS$FOCUSED_ION: PRECURSOR_M/Z 1019.5208
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00or-2900000000-220ace66f3385b4fc867
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  66.035 C4H4N- 1 66.0349 0.68
+  68.0507 C4H6N- 1 68.0506 1.6
+  70.0299 C3H4NO- 1 70.0298 0.96
+  71.025 C2H3N2O- 1 71.0251 -0.61
+  73.0407 C2H5N2O- 1 73.0407 -0.57
+  82.0298 C4H4NO- 1 82.0298 -0.58
+  83.0249 C3H3N2O- 1 83.0251 -2.74
+  84.009 C3H2NO2- 1 84.0091 -1.36
+  84.0458 C4H6NO- 1 84.0455 3.35
+  85.0407 C3H5N2O- 1 85.0407 -0.97
+  91.0554 C7H7- 1 91.0553 0.33
+  93.0346 C6H5O- 1 93.0346 -0.24
+  95.0251 C4H3N2O- 1 95.0251 0.14
+  96.0456 C5H6NO- 1 96.0455 1.47
+  99.0199 C3H3N2O2- 1 99.02 -1.05
+  99.0565 C4H7N2O- 1 99.0564 0.72
+  101.072 C4H9N2O- 1 101.072 -0.45
+  102.0563 C4H8NO2- 1 102.0561 2.04
+  106.0425 C7H6O- 1 106.0424 0.93
+  107.0504 C7H7O- 1 107.0502 1.86
+  109.0406 C5H5N2O- 1 109.0407 -1.15
+  111.0201 C4H3N2O2- 1 111.02 0.7
+  111.0562 C5H7N2O- 1 111.0564 -1.44
+  112.0279 C4H4N2O2- 1 112.0278 0.7
+  113.0355 C4H5N2O2- 1 113.0357 -1.73
+  113.0717 C5H9N2O- 1 113.072 -2.55
+  114.0923 C6H12NO- 1 114.0924 -0.94
+  115.0765 C6H11O2- 1 115.0765 0.05
+  116.0507 C8H6N- 1 116.0506 1.35
+  116.0716 C5H10NO2- 1 116.0717 -0.72
+  118.0663 C8H8N- 1 118.0662 0.86
+  119.0501 C8H7O- 1 119.0502 -0.85
+  123.0561 C6H7N2O- 1 123.0564 -2.23
+  124.0403 C6H6NO2- 1 124.0404 -0.76
+  125.0355 C5H5N2O2- 1 125.0357 -0.87
+  126.0437 C5H6N2O2- 1 126.0435 1.84
+  127.0512 C5H7N2O2- 1 127.0513 -1.09
+  128.0352 C5H6NO3- 1 128.0353 -1.19
+  130.0624 C4H8N3O2- 1 130.0622 1.43
+  130.0984 C5H12N3O- 1 130.0986 -1.8
+  131.0828 C5H11N2O2- 1 131.0826 1.26
+  135.056 C7H7N2O- 1 135.0564 -2.7
+  136.0519 C6H6N3O- 1 136.0516 1.78
+  137.0718 C7H9N2O- 1 137.072 -2.09
+  138.0668 C6H8N3O- 1 138.0673 -3.87
+  139.0513 C6H7N2O2- 1 139.0513 0.3
+  141.0667 C6H9N2O2- 1 141.067 -1.43
+  141.103 C7H13N2O- 1 141.1033 -2.25
+  143.1189 C7H15N2O- 1 143.119 -0.72
+  147.0451 C9H7O2- 1 147.0452 -0.5
+  149.0716 C8H9N2O- 1 149.072 -2.9
+  152.0828 C7H10N3O- 1 152.0829 -1.1
+  156.0774 C6H10N3O2- 1 156.0779 -2.72
+  158.0938 C6H12N3O2- 1 158.0935 1.64
+  160.0763 C10H10NO- 1 160.0768 -2.96
+  162.0556 C9H8NO2- 1 162.0561 -2.87
+  166.0617 C7H8N3O2- 1 166.0622 -3.03
+  166.0986 C8H12N3O- 1 166.0986 0.22
+  167.0818 C8H11N2O2- 2 167.0826 -4.81
+  168.0779 C7H10N3O2- 1 168.0779 0.19
+  168.1144 C8H14N3O- 1 168.1142 0.96
+  169.1093 C7H13N4O- 1 169.1095 -1.06
+  170.093 C7H12N3O2- 1 170.0935 -2.67
+  187.1195 C7H15N4O2- 3 187.12 -2.99
+  192.0774 C9H10N3O2- 2 192.0779 -2.33
+  196.1083 C7H12N6O- 2 196.1078 2.52
+  201.135 C8H17N4O2- 3 201.1357 -3.35
+  213.0997 C8H13N4O3- 2 213.0993 2.04
+  218.118 C13H16NO2- 2 218.1187 -2.84
+  229.1414 C7H21N2O6- 3 229.1405 3.97
+PK$NUM_PEAK: 70
+PK$PEAK: m/z int. rel.int.
+  66.035 52844.3 74
+  68.0507 26265.8 37
+  70.0299 37865.1 53
+  71.025 39490.2 55
+  73.0407 494021.7 696
+  82.0298 191321.5 269
+  83.0249 72834.8 102
+  84.009 71459.3 100
+  84.0458 31692 44
+  85.0407 204614.5 288
+  91.0554 70467 99
+  93.0346 62021.1 87
+  95.0251 42230.8 59
+  96.0456 40988.2 57
+  99.0199 217648.3 306
+  99.0565 75258.7 106
+  101.072 118154.8 166
+  102.0563 35116.5 49
+  106.0425 39986.4 56
+  107.0504 74274.9 104
+  109.0406 212111.5 298
+  111.0201 101703.5 143
+  111.0562 102719.3 144
+  112.0279 139024.5 195
+  113.0355 114546 161
+  113.0717 80657.2 113
+  114.0923 142250 200
+  115.0765 44359.1 62
+  116.0507 48259.5 68
+  116.0716 603930.1 851
+  118.0663 39331.9 55
+  119.0501 483124 681
+  123.0561 112829.8 159
+  124.0403 172317.2 242
+  125.0355 443602 625
+  126.0437 78358.6 110
+  127.0512 525008 740
+  128.0352 513701.8 724
+  130.0624 41199.2 58
+  130.0984 220596.8 310
+  131.0828 21038.8 29
+  135.056 50111.4 70
+  136.0519 42135.6 59
+  137.0718 23135.9 32
+  138.0668 84630.6 119
+  139.0513 74074.2 104
+  141.0667 105405 148
+  141.103 110805.3 156
+  143.1189 38025.4 53
+  147.0451 36887.7 51
+  149.0716 126567.8 178
+  152.0828 128078.1 180
+  156.0774 87280.4 123
+  158.0938 19539.2 27
+  160.0763 371089.6 523
+  162.0556 91213.7 128
+  166.0617 222814.1 314
+  166.0986 61411.6 86
+  167.0818 98727.2 139
+  168.0779 40512.1 57
+  168.1144 33506.2 47
+  169.1093 191263 269
+  170.093 188639.4 265
+  187.1195 708698.7 999
+  192.0774 125420.7 176
+  196.1083 78898.6 111
+  201.135 62794.3 88
+  213.0997 23356.5 32
+  218.118 63982.2 90
+  229.1414 19400.2 27
+//
diff --git a/Eawag/MSBNK-EAWAG-EC051259.txt b/Eawag/MSBNK-EAWAG-EC051259.txt
new file mode 100644
index 0000000000..fadb8e161b
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC051259.txt
@@ -0,0 +1,156 @@
+ACCESSION: MSBNK-EAWAG-EC051259
+RECORD_TITLE: Cyanopeptolin 1020; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 512
+CH$NAME: Cyanopeptolin 1020
+CH$NAME: (4S)-5-(((2S,5S,8S,11R,12S,15S,18S,21R)-2-benzyl-15-(3-((diaminomethylene)amino)propyl)-21-hydroxy-5-(4-hydroxybenzyl)-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-4-hexanamido-5-oxopentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C50H72N10O13
+CH$EXACT_MASS: 1020.528032
+CH$SMILES: C[C@H]1OC([C@@H](NC([C@@H](N(C([C@@H](N2C([C@H](CC[C@H]2O)NC([C@@H](NC([C@H]1NC([C@@H](NC(CCCCC)=O)CCC(O)=O)=O)=O)CCC/N=C(N)/N)=O)=O)CC3=CC=CC=C3)=O)C)CC(C=C4)=CC=C4O)=O)C(C)C)=O
+CH$IUPAC: InChI=1S/C50H72N10O13/c1-6-7-9-16-38(62)54-34(22-24-40(64)65)44(67)58-42-29(4)73-49(72)41(28(2)3)57-45(68)36(26-31-17-19-32(61)20-18-31)59(5)48(71)37(27-30-13-10-8-11-14-30)60-39(63)23-21-35(47(60)70)56-43(66)33(55-46(42)69)15-12-25-53-50(51)52/h8,10-11,13-14,17-20,28-29,33-37,39,41-42,61,63H,6-7,9,12,15-16,21-27H2,1-5H3,(H,54,62)(H,55,69)(H,56,66)(H,57,68)(H,58,67)(H,64,65)(H4,51,52,53)/t29-,33+,34+,35+,36+,37+,39-,41+,42+/m1/s1
+CH$LINK: PUBCHEM CID:46830813
+CH$LINK: INCHIKEY NYXUAFLMUQAJPS-AYGLBTBXSA-N
+CH$LINK: CHEMSPIDER 25060986
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1061
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.620 min
+MS$FOCUSED_ION: BASE_PEAK 1019.5222
+MS$FOCUSED_ION: PRECURSOR_M/Z 1019.5208
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00vi-3900000000-b63d28469772bb940364
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  58.0299 C2H4NO- 1 58.0298 0.72
+  58.0411 CH4N3- 1 58.0411 0.21
+  66.0349 C4H4N- 1 66.0349 -1.05
+  67.0302 C3H3N2- 1 67.0302 0.62
+  70.03 C3H4NO- 1 70.0298 1.94
+  73.0407 C2H5N2O- 1 73.0407 -0.89
+  82.0298 C4H4NO- 1 82.0298 -0.95
+  83.025 C3H3N2O- 1 83.0251 -1.55
+  84.0091 C3H2NO2- 1 84.0091 -0.36
+  84.0455 C4H6NO- 1 84.0455 -0.19
+  85.0406 C3H5N2O- 1 85.0407 -1.24
+  87.0562 C3H7N2O- 1 87.0564 -1.66
+  93.0345 C6H5O- 1 93.0346 -1.39
+  95.0251 C4H3N2O- 1 95.0251 0.3
+  96.0456 C5H6NO- 1 96.0455 1.47
+  97.0406 C4H5N2O- 1 97.0407 -1.12
+  98.0612 C5H8NO- 1 98.0611 0.59
+  99.0199 C3H3N2O2- 1 99.02 -1.05
+  99.0564 C4H7N2O- 1 99.0564 -0.36
+  101.072 C4H9N2O- 1 101.072 -0.83
+  107.0503 C7H7O- 1 107.0502 0.44
+  109.0406 C5H5N2O- 1 109.0407 -1.5
+  111.02 C4H3N2O2- 1 111.02 -0.06
+  111.0563 C5H7N2O- 1 111.0564 -0.48
+  112.0279 C4H4N2O2- 1 112.0278 1.05
+  113.0355 C4H5N2O2- 1 113.0357 -1.26
+  113.0721 C5H9N2O- 1 113.072 0.22
+  114.0924 C6H12NO- 1 114.0924 -0.07
+  115.0765 C6H11O2- 1 115.0765 0.51
+  116.0503 C8H6N- 1 116.0506 -2.27
+  116.0716 C5H10NO2- 1 116.0717 -0.79
+  118.0664 C8H8N- 1 118.0662 1.37
+  119.0501 C8H7O- 1 119.0502 -0.91
+  123.0564 C6H7N2O- 1 123.0564 0.13
+  124.0402 C6H6NO2- 1 124.0404 -1.68
+  125.0355 C5H5N2O2- 1 125.0357 -1.17
+  126.0433 C5H6N2O2- 1 126.0435 -1.73
+  127.0511 C5H7N2O2- 1 127.0513 -1.21
+  128.0352 C5H6NO3- 1 128.0353 -1.19
+  130.0986 C5H12N3O- 1 130.0986 -0.04
+  135.0562 C7H7N2O- 1 135.0564 -1.23
+  138.0435 C6H6N2O2- 1 138.0435 -0.07
+  138.067 C6H8N3O- 1 138.0673 -1.99
+  139.051 C6H7N2O2- 1 139.0513 -2.33
+  140.0829 C6H10N3O- 1 140.0829 -0.23
+  141.0668 C6H9N2O2- 1 141.067 -1.22
+  141.1032 C7H13N2O- 1 141.1033 -1.06
+  149.0717 C8H9N2O- 1 149.072 -2.18
+  152.0825 C7H10N3O- 1 152.0829 -2.6
+  160.076 C8H8N4- 1 160.0754 3.23
+  162.0558 C9H8NO2- 1 162.0561 -1.74
+  166.0615 C7H8N3O2- 2 166.0622 -4.14
+  169.1093 C7H13N4O- 1 169.1095 -1.24
+  170.093 C7H12N3O2- 1 170.0935 -2.67
+  187.1195 C7H15N4O2- 3 187.12 -2.99
+  192.0773 C9H10N3O2- 2 192.0779 -2.97
+  201.1355 C8H17N4O2- 1 201.1357 -0.92
+PK$NUM_PEAK: 57
+PK$PEAK: m/z int. rel.int.
+  58.0299 21109 43
+  58.0411 48369.3 98
+  66.0349 45837.7 93
+  67.0302 37014.6 75
+  70.03 36127.7 73
+  73.0407 489397.5 999
+  82.0298 202456.8 413
+  83.025 74513.6 152
+  84.0091 61030.7 124
+  84.0455 48969.1 99
+  85.0406 128664.9 262
+  87.0562 83539.9 170
+  93.0345 70396.5 143
+  95.0251 29990.1 61
+  96.0456 36410.1 74
+  97.0406 42102 85
+  98.0612 26321 53
+  99.0199 154289.4 314
+  99.0564 40453 82
+  101.072 111667.1 227
+  107.0503 52335.7 106
+  109.0406 160248 327
+  111.02 100631.3 205
+  111.0563 57166.2 116
+  112.0279 130614.6 266
+  113.0355 110001.9 224
+  113.0721 85867.3 175
+  114.0924 112878.1 230
+  115.0765 31963.3 65
+  116.0503 41770.3 85
+  116.0716 365406.9 745
+  118.0664 39075.4 79
+  119.0501 456854.1 932
+  123.0564 93469.6 190
+  124.0402 140117.8 286
+  125.0355 322066.2 657
+  126.0433 49454.2 100
+  127.0511 232801.5 475
+  128.0352 272327.5 555
+  130.0986 152451.2 311
+  135.0562 46458.4 94
+  138.0435 24348.6 49
+  138.067 57258.5 116
+  139.051 58425.1 119
+  140.0829 61197.4 124
+  141.0668 54096.1 110
+  141.1032 68715.6 140
+  149.0717 74046.2 151
+  152.0825 88550.1 180
+  160.076 120167.6 245
+  162.0558 32931.1 67
+  166.0615 111108.3 226
+  169.1093 122094.5 249
+  170.093 88742.7 181
+  187.1195 289200.5 590
+  192.0773 40592.1 82
+  201.1355 27365.8 55
+//
diff --git a/Eawag/MSBNK-EAWAG-EC053201.txt b/Eawag/MSBNK-EAWAG-EC053201.txt
new file mode 100644
index 0000000000..4f8c89ffb1
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC053201.txt
@@ -0,0 +1,44 @@
+ACCESSION: MSBNK-EAWAG-EC053201
+RECORD_TITLE: Cyanopeptolin 1014; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.aquatox.2023.106689
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 532
+CH$NAME: Cyanopeptolin 1014
+CH$NAME: 5-((15-(3-guanidinopropyl)-21-hydroxy-5-(4-hydroxybenzyl)-2-isobutyl-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-4-octanamido-5-oxopentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C49H78N10O13
+CH$EXACT_MASS: 1014.574983
+CH$SMILES: O=C(NC(CCCNC(N)=N)C(NC1C(N(C(C(N(C(C(NC2C(C)C)=O)CC3=CC=C(O)C=C3)C)=O)CC(C)C)C(O)CC1)=O)=O)C(C(OC2=O)C)NC(C(CCC(O)=O)NC(CCCCCCC)=O)=O
+CH$IUPAC: InChI=1S/C49H78N10O13/c1-8-9-10-11-12-15-37(61)53-33(21-23-39(63)64)43(66)57-41-29(6)72-48(71)40(28(4)5)56-44(67)35(26-30-16-18-31(60)19-17-30)58(7)47(70)36(25-27(2)3)59-38(62)22-20-34(46(59)69)55-42(65)32(54-45(41)68)14-13-24-52-49(50)51/h16-19,27-29,32-36,38,40-41,60,62H,8-15,20-26H2,1-7H3,(H,53,61)(H,54,68)(H,55,65)(H,56,67)(H,57,66)(H,63,64)(H4,50,51,52)
+CH$LINK: PUBCHEM CID:146684708
+CH$LINK: INCHIKEY XROOLCIJEAHFKQ-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1057
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.671 min
+MS$FOCUSED_ION: BASE_PEAK 1015.5806
+MS$FOCUSED_ION: PRECURSOR_M/Z 1015.5823
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-014i-9000000000-a32d6502e904a3fcb999
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  1015.5812 C49H79N10O13+ 1 1015.5823 -1.06
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  1015.5812 3324025.5 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC053202.txt b/Eawag/MSBNK-EAWAG-EC053202.txt
new file mode 100644
index 0000000000..5d104d2a1d
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC053202.txt
@@ -0,0 +1,46 @@
+ACCESSION: MSBNK-EAWAG-EC053202
+RECORD_TITLE: Cyanopeptolin 1014; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.aquatox.2023.106689
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 532
+CH$NAME: Cyanopeptolin 1014
+CH$NAME: 5-((15-(3-guanidinopropyl)-21-hydroxy-5-(4-hydroxybenzyl)-2-isobutyl-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-4-octanamido-5-oxopentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C49H78N10O13
+CH$EXACT_MASS: 1014.574983
+CH$SMILES: O=C(NC(CCCNC(N)=N)C(NC1C(N(C(C(N(C(C(NC2C(C)C)=O)CC3=CC=C(O)C=C3)C)=O)CC(C)C)C(O)CC1)=O)=O)C(C(OC2=O)C)NC(C(CCC(O)=O)NC(CCCCCCC)=O)=O
+CH$IUPAC: InChI=1S/C49H78N10O13/c1-8-9-10-11-12-15-37(61)53-33(21-23-39(63)64)43(66)57-41-29(6)72-48(71)40(28(4)5)56-44(67)35(26-30-16-18-31(60)19-17-30)58(7)47(70)36(25-27(2)3)59-38(62)22-20-34(46(59)69)55-42(65)32(54-45(41)68)14-13-24-52-49(50)51/h16-19,27-29,32-36,38,40-41,60,62H,8-15,20-26H2,1-7H3,(H,53,61)(H,54,68)(H,55,65)(H,56,67)(H,57,66)(H,63,64)(H4,50,51,52)
+CH$LINK: PUBCHEM CID:146684708
+CH$LINK: INCHIKEY XROOLCIJEAHFKQ-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1057
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.671 min
+MS$FOCUSED_ION: BASE_PEAK 1015.5806
+MS$FOCUSED_ION: PRECURSOR_M/Z 1015.5823
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-014i-9000000001-e5eb41570395d7fedbff
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  997.5737 C49H77N10O12+ 1 997.5717 2.05
+  1015.5812 C49H79N10O13+ 1 1015.5823 -1.06
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  997.5737 298870.8 153
+  1015.5812 1942858.4 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC053203.txt b/Eawag/MSBNK-EAWAG-EC053203.txt
new file mode 100644
index 0000000000..1c4a226a3c
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC053203.txt
@@ -0,0 +1,54 @@
+ACCESSION: MSBNK-EAWAG-EC053203
+RECORD_TITLE: Cyanopeptolin 1014; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.aquatox.2023.106689
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 532
+CH$NAME: Cyanopeptolin 1014
+CH$NAME: 5-((15-(3-guanidinopropyl)-21-hydroxy-5-(4-hydroxybenzyl)-2-isobutyl-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-4-octanamido-5-oxopentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C49H78N10O13
+CH$EXACT_MASS: 1014.574983
+CH$SMILES: O=C(NC(CCCNC(N)=N)C(NC1C(N(C(C(N(C(C(NC2C(C)C)=O)CC3=CC=C(O)C=C3)C)=O)CC(C)C)C(O)CC1)=O)=O)C(C(OC2=O)C)NC(C(CCC(O)=O)NC(CCCCCCC)=O)=O
+CH$IUPAC: InChI=1S/C49H78N10O13/c1-8-9-10-11-12-15-37(61)53-33(21-23-39(63)64)43(66)57-41-29(6)72-48(71)40(28(4)5)56-44(67)35(26-30-16-18-31(60)19-17-30)58(7)47(70)36(25-27(2)3)59-38(62)22-20-34(46(59)69)55-42(65)32(54-45(41)68)14-13-24-52-49(50)51/h16-19,27-29,32-36,38,40-41,60,62H,8-15,20-26H2,1-7H3,(H,53,61)(H,54,68)(H,55,65)(H,56,67)(H,57,66)(H,63,64)(H4,50,51,52)
+CH$LINK: PUBCHEM CID:146684708
+CH$LINK: INCHIKEY XROOLCIJEAHFKQ-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1057
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.671 min
+MS$FOCUSED_ION: BASE_PEAK 1015.5806
+MS$FOCUSED_ION: PRECURSOR_M/Z 1015.5823
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-06dj-6000100903-f8635885a4e2d8d89bba
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  164.1064 C10H14NO+ 2 164.107 -3.55
+  400.2222 C20H28N6O3+ 6 400.2217 1.13
+  756.4401 C37H58N9O8+ 10 756.4403 -0.18
+  774.45 C36H64N5O13+ 10 774.4495 0.61
+  997.5712 C49H77N10O12+ 1 997.5717 -0.52
+  1015.5804 C49H79N10O13+ 1 1015.5823 -1.79
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  164.1064 39339 52
+  400.2222 177379 238
+  756.4401 455198.5 613
+  774.45 594962.4 801
+  997.5712 462987.1 623
+  1015.5804 741634.1 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC053204.txt b/Eawag/MSBNK-EAWAG-EC053204.txt
new file mode 100644
index 0000000000..94e84e0e9e
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC053204.txt
@@ -0,0 +1,66 @@
+ACCESSION: MSBNK-EAWAG-EC053204
+RECORD_TITLE: Cyanopeptolin 1014; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.aquatox.2023.106689
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 532
+CH$NAME: Cyanopeptolin 1014
+CH$NAME: 5-((15-(3-guanidinopropyl)-21-hydroxy-5-(4-hydroxybenzyl)-2-isobutyl-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-4-octanamido-5-oxopentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C49H78N10O13
+CH$EXACT_MASS: 1014.574983
+CH$SMILES: O=C(NC(CCCNC(N)=N)C(NC1C(N(C(C(N(C(C(NC2C(C)C)=O)CC3=CC=C(O)C=C3)C)=O)CC(C)C)C(O)CC1)=O)=O)C(C(OC2=O)C)NC(C(CCC(O)=O)NC(CCCCCCC)=O)=O
+CH$IUPAC: InChI=1S/C49H78N10O13/c1-8-9-10-11-12-15-37(61)53-33(21-23-39(63)64)43(66)57-41-29(6)72-48(71)40(28(4)5)56-44(67)35(26-30-16-18-31(60)19-17-30)58(7)47(70)36(25-27(2)3)59-38(62)22-20-34(46(59)69)55-42(65)32(54-45(41)68)14-13-24-52-49(50)51/h16-19,27-29,32-36,38,40-41,60,62H,8-15,20-26H2,1-7H3,(H,53,61)(H,54,68)(H,55,65)(H,56,67)(H,57,66)(H,63,64)(H4,50,51,52)
+CH$LINK: PUBCHEM CID:146684708
+CH$LINK: INCHIKEY XROOLCIJEAHFKQ-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1057
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.671 min
+MS$FOCUSED_ION: BASE_PEAK 1015.5806
+MS$FOCUSED_ION: PRECURSOR_M/Z 1015.5823
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0pi0-1310300901-142795225b6a65b8b18a
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  70.0652 C4H8N+ 1 70.0651 1.37
+  112.087 C5H10N3+ 1 112.0869 0.67
+  164.1064 C10H14NO+ 2 164.107 -3.83
+  181.1327 C8H15N5+ 2 181.1322 2.83
+  209.1277 C9H15N5O+ 2 209.1271 2.67
+  240.1447 C9H22NO6+ 3 240.1442 2.39
+  400.2227 C20H28N6O3+ 6 400.2217 2.35
+  738.4286 C39H58N6O8+ 8 738.4311 -3.34
+  756.4397 C37H58N9O8+ 10 756.4403 -0.75
+  774.4495 C36H64N5O13+ 8 774.4495 -0.02
+  997.5706 C49H77N10O12+ 1 997.5717 -1.07
+  1015.5808 C49H79N10O13+ 1 1015.5823 -1.49
+PK$NUM_PEAK: 12
+PK$PEAK: m/z int. rel.int.
+  70.0652 46440.7 66
+  112.087 29058 41
+  164.1064 347568 497
+  181.1327 90856.4 129
+  209.1277 165058.5 236
+  240.1447 36312.1 51
+  400.2227 431934 617
+  738.4286 85706.5 122
+  756.4397 698608.8 999
+  774.4495 504760.1 721
+  997.5706 218713.9 312
+  1015.5808 209755 299
+//
diff --git a/Eawag/MSBNK-EAWAG-EC053205.txt b/Eawag/MSBNK-EAWAG-EC053205.txt
new file mode 100644
index 0000000000..e4918b557c
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC053205.txt
@@ -0,0 +1,88 @@
+ACCESSION: MSBNK-EAWAG-EC053205
+RECORD_TITLE: Cyanopeptolin 1014; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.aquatox.2023.106689
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 532
+CH$NAME: Cyanopeptolin 1014
+CH$NAME: 5-((15-(3-guanidinopropyl)-21-hydroxy-5-(4-hydroxybenzyl)-2-isobutyl-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-4-octanamido-5-oxopentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C49H78N10O13
+CH$EXACT_MASS: 1014.574983
+CH$SMILES: O=C(NC(CCCNC(N)=N)C(NC1C(N(C(C(N(C(C(NC2C(C)C)=O)CC3=CC=C(O)C=C3)C)=O)CC(C)C)C(O)CC1)=O)=O)C(C(OC2=O)C)NC(C(CCC(O)=O)NC(CCCCCCC)=O)=O
+CH$IUPAC: InChI=1S/C49H78N10O13/c1-8-9-10-11-12-15-37(61)53-33(21-23-39(63)64)43(66)57-41-29(6)72-48(71)40(28(4)5)56-44(67)35(26-30-16-18-31(60)19-17-30)58(7)47(70)36(25-27(2)3)59-38(62)22-20-34(46(59)69)55-42(65)32(54-45(41)68)14-13-24-52-49(50)51/h16-19,27-29,32-36,38,40-41,60,62H,8-15,20-26H2,1-7H3,(H,53,61)(H,54,68)(H,55,65)(H,56,67)(H,57,66)(H,63,64)(H4,50,51,52)
+CH$LINK: PUBCHEM CID:146684708
+CH$LINK: INCHIKEY XROOLCIJEAHFKQ-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1057
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.671 min
+MS$FOCUSED_ION: BASE_PEAK 1015.5806
+MS$FOCUSED_ION: PRECURSOR_M/Z 1015.5823
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03di-2930000000-851d2580c884df862aff
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  70.0651 C4H8N+ 1 70.0651 -0.81
+  72.0808 C4H10N+ 1 72.0808 -0.03
+  74.0599 C3H8NO+ 1 74.06 -1.66
+  84.0445 C4H6NO+ 1 84.0444 0.98
+  86.0964 C5H12N+ 1 86.0964 -0.8
+  88.0392 C3H6NO2+ 1 88.0393 -1.38
+  112.0867 C5H10N3+ 1 112.0869 -1.58
+  113.0708 C5H9N2O+ 1 113.0709 -1.67
+  115.0868 C5H11N2O+ 1 115.0866 1.44
+  121.065 C8H9O+ 1 121.0648 1.53
+  124.1122 C8H14N+ 1 124.1121 1.07
+  138.0658 C6H8N3O+ 1 138.0662 -2.9
+  153.1384 C9H17N2+ 1 153.1386 -1.64
+  164.1064 C10H14NO+ 2 164.107 -3.65
+  181.1327 C8H15N5+ 2 181.1322 2.57
+  192.1006 C9H12N4O+ 1 192.1006 0.42
+  197.1029 C7H17O6+ 3 197.102 4.87
+  209.1273 C9H15N5O+ 1 209.1271 1.07
+  223.1182 C9H19O6+ 3 223.1176 2.46
+  241.1289 C10H17N4O3+ 3 241.1295 -2.41
+  242.1377 C10H18N4O3+ 2 242.1373 1.43
+  288.1591 C17H22NO3+ 5 288.1594 -1.13
+  327.2068 C20H27N2O2+ 6 327.2067 0.24
+PK$NUM_PEAK: 23
+PK$PEAK: m/z int. rel.int.
+  70.0651 517101.3 355
+  72.0808 70880.5 48
+  74.0599 27989.8 19
+  84.0445 14763.3 10
+  86.0964 238967.5 164
+  88.0392 94434.9 65
+  112.0867 269190.7 185
+  113.0708 139733.9 96
+  115.0868 66151.7 45
+  121.065 34612.2 23
+  124.1122 45410.5 31
+  138.0658 137001.5 94
+  153.1384 127369.4 87
+  164.1064 1451172.2 999
+  181.1327 468814.6 322
+  192.1006 185240.7 127
+  197.1029 109083.3 75
+  209.1273 317189.5 218
+  223.1182 311493.8 214
+  241.1289 145318.7 100
+  242.1377 74194.8 51
+  288.1591 280719.3 193
+  327.2068 100438.8 69
+//
diff --git a/Eawag/MSBNK-EAWAG-EC053206.txt b/Eawag/MSBNK-EAWAG-EC053206.txt
new file mode 100644
index 0000000000..06b1dffc49
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC053206.txt
@@ -0,0 +1,132 @@
+ACCESSION: MSBNK-EAWAG-EC053206
+RECORD_TITLE: Cyanopeptolin 1014; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.aquatox.2023.106689
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 532
+CH$NAME: Cyanopeptolin 1014
+CH$NAME: 5-((15-(3-guanidinopropyl)-21-hydroxy-5-(4-hydroxybenzyl)-2-isobutyl-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-4-octanamido-5-oxopentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C49H78N10O13
+CH$EXACT_MASS: 1014.574983
+CH$SMILES: O=C(NC(CCCNC(N)=N)C(NC1C(N(C(C(N(C(C(NC2C(C)C)=O)CC3=CC=C(O)C=C3)C)=O)CC(C)C)C(O)CC1)=O)=O)C(C(OC2=O)C)NC(C(CCC(O)=O)NC(CCCCCCC)=O)=O
+CH$IUPAC: InChI=1S/C49H78N10O13/c1-8-9-10-11-12-15-37(61)53-33(21-23-39(63)64)43(66)57-41-29(6)72-48(71)40(28(4)5)56-44(67)35(26-30-16-18-31(60)19-17-30)58(7)47(70)36(25-27(2)3)59-38(62)22-20-34(46(59)69)55-42(65)32(54-45(41)68)14-13-24-52-49(50)51/h16-19,27-29,32-36,38,40-41,60,62H,8-15,20-26H2,1-7H3,(H,53,61)(H,54,68)(H,55,65)(H,56,67)(H,57,66)(H,63,64)(H4,50,51,52)
+CH$LINK: PUBCHEM CID:146684708
+CH$LINK: INCHIKEY XROOLCIJEAHFKQ-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1057
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.671 min
+MS$FOCUSED_ION: BASE_PEAK 1015.5806
+MS$FOCUSED_ION: PRECURSOR_M/Z 1015.5823
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00dr-8920000000-714d2e092c0dad1f471c
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  56.0493 C3H6N+ 1 56.0495 -2.8
+  57.0699 C4H9+ 1 57.0699 0.72
+  60.0556 CH6N3+ 1 60.0556 0.19
+  68.0494 C4H6N+ 1 68.0495 -0.41
+  69.0698 C5H9+ 1 69.0699 -0.97
+  70.065 C4H8N+ 1 70.0651 -1.25
+  72.0806 C4H10N+ 1 72.0808 -1.83
+  74.06 C3H8NO+ 1 74.06 -1.04
+  80.0493 C5H6N+ 1 80.0495 -2.63
+  84.0444 C4H6NO+ 1 84.0444 -0.38
+  84.0808 C5H10N+ 1 84.0808 0.33
+  85.0757 C4H9N2+ 1 85.076 -3.88
+  86.0963 C5H12N+ 1 86.0964 -1.87
+  88.0392 C3H6NO2+ 1 88.0393 -1.38
+  95.0601 C5H7N2+ 1 95.0604 -2.49
+  101.0707 C4H9N2O+ 1 101.0709 -1.99
+  112.0867 C5H10N3+ 1 112.0869 -1.85
+  112.1117 C7H14N+ 1 112.1121 -3.2
+  113.0707 C5H9N2O+ 1 113.0709 -2.48
+  114.0549 C5H8NO2+ 1 114.055 -0.21
+  115.0863 C5H11N2O+ 1 115.0866 -2.28
+  121.0647 C8H9O+ 1 121.0648 -1
+  124.1116 C8H14N+ 1 124.1121 -4.03
+  135.0799 C9H11O+ 1 135.0804 -4.15
+  136.1117 C9H14N+ 1 136.1121 -2.94
+  138.0658 C6H8N3O+ 1 138.0662 -2.68
+  140.0816 C6H10N3O+ 1 140.0818 -1.47
+  141.0655 C6H9N2O2+ 1 141.0659 -2.5
+  141.1021 C7H13N2O+ 1 141.1022 -1.26
+  153.0651 C7H9N2O2+ 2 153.0659 -4.82
+  153.1379 C9H17N2+ 1 153.1386 -4.93
+  162.1027 C9H12N3+ 1 162.1026 0.78
+  179.128 C8H19O4+ 1 179.1278 1.01
+  180.1123 C7H12N6+ 2 180.1118 2.77
+  181.1325 C8H15N5+ 1 181.1322 1.9
+  192.1002 C9H12N4O+ 1 192.1006 -1.8
+  197.1023 C7H17O6+ 2 197.102 1.7
+  199.0707 C8H11N2O4+ 2 199.0713 -3.06
+  205.1328 C10H15N5+ 2 205.1322 2.83
+  223.1179 C9H19O6+ 3 223.1176 1.23
+  240.1444 C9H22NO6+ 3 240.1442 0.8
+  244.169 CH28N2O11+ 5 244.1688 1.04
+  251.1133 C10H19O7+ 3 251.1125 2.93
+  288.1585 C17H22NO3+ 5 288.1594 -3.25
+  292.1402 C13H18N5O3+ 3 292.1404 -0.75
+PK$NUM_PEAK: 45
+PK$PEAK: m/z int. rel.int.
+  56.0493 59656.1 48
+  57.0699 39835.9 32
+  60.0556 27027.3 21
+  68.0494 148275.2 120
+  69.0698 38587.8 31
+  70.065 1232889.9 999
+  72.0806 173300.4 140
+  74.06 86132.9 69
+  80.0493 28004.5 22
+  84.0444 79403.1 64
+  84.0808 55006.3 44
+  85.0757 37032.6 30
+  86.0963 554712.5 449
+  88.0392 340524.1 275
+  95.0601 51730.9 41
+  101.0707 33378.2 27
+  112.0867 374007.6 303
+  112.1117 91111.3 73
+  113.0707 326072.1 264
+  114.0549 34396.2 27
+  115.0863 153077.9 124
+  121.0647 114941.7 93
+  124.1116 98519.8 79
+  135.0799 71205.9 57
+  136.1117 215009.8 174
+  138.0658 175600.2 142
+  140.0816 42427.3 34
+  141.0655 30522.7 24
+  141.1021 27553 22
+  153.0651 88934.9 72
+  153.1379 191493.6 155
+  162.1027 33495.2 27
+  179.128 51420.5 41
+  180.1123 41417.1 33
+  181.1325 450635.8 365
+  192.1002 178093 144
+  197.1023 112353.5 91
+  199.0707 151407.1 122
+  205.1328 37964.5 30
+  223.1179 241379.4 195
+  240.1444 81777.6 66
+  244.169 36654.5 29
+  251.1133 88982 72
+  288.1585 252832.6 204
+  292.1402 49150 39
+//
diff --git a/Eawag/MSBNK-EAWAG-EC053207.txt b/Eawag/MSBNK-EAWAG-EC053207.txt
new file mode 100644
index 0000000000..0d39019c47
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC053207.txt
@@ -0,0 +1,148 @@
+ACCESSION: MSBNK-EAWAG-EC053207
+RECORD_TITLE: Cyanopeptolin 1014; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.aquatox.2023.106689
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 532
+CH$NAME: Cyanopeptolin 1014
+CH$NAME: 5-((15-(3-guanidinopropyl)-21-hydroxy-5-(4-hydroxybenzyl)-2-isobutyl-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-4-octanamido-5-oxopentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C49H78N10O13
+CH$EXACT_MASS: 1014.574983
+CH$SMILES: O=C(NC(CCCNC(N)=N)C(NC1C(N(C(C(N(C(C(NC2C(C)C)=O)CC3=CC=C(O)C=C3)C)=O)CC(C)C)C(O)CC1)=O)=O)C(C(OC2=O)C)NC(C(CCC(O)=O)NC(CCCCCCC)=O)=O
+CH$IUPAC: InChI=1S/C49H78N10O13/c1-8-9-10-11-12-15-37(61)53-33(21-23-39(63)64)43(66)57-41-29(6)72-48(71)40(28(4)5)56-44(67)35(26-30-16-18-31(60)19-17-30)58(7)47(70)36(25-27(2)3)59-38(62)22-20-34(46(59)69)55-42(65)32(54-45(41)68)14-13-24-52-49(50)51/h16-19,27-29,32-36,38,40-41,60,62H,8-15,20-26H2,1-7H3,(H,53,61)(H,54,68)(H,55,65)(H,56,67)(H,57,66)(H,63,64)(H4,50,51,52)
+CH$LINK: PUBCHEM CID:146684708
+CH$LINK: INCHIKEY XROOLCIJEAHFKQ-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1057
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.671 min
+MS$FOCUSED_ION: BASE_PEAK 1015.5806
+MS$FOCUSED_ION: PRECURSOR_M/Z 1015.5823
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00dr-9600000000-83d336328bd0a518b5d5
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  55.0543 C4H7+ 1 55.0542 0.58
+  56.0494 C3H6N+ 1 56.0495 -1.04
+  57.0698 C4H9+ 1 57.0699 -2.16
+  58.0651 C3H8N+ 1 58.0651 0.01
+  60.0555 CH6N3+ 1 60.0556 -1.91
+  68.0494 C4H6N+ 1 68.0495 -1.19
+  69.0336 C4H5O+ 1 69.0335 0.92
+  69.0698 C5H9+ 1 69.0699 -1.63
+  70.065 C4H8N+ 1 70.0651 -1.36
+  71.0491 C4H7O+ 1 71.0491 -1.1
+  72.0807 C4H10N+ 1 72.0808 -0.67
+  74.06 C3H8NO+ 1 74.06 -0.94
+  80.0494 C5H6N+ 1 80.0495 -1.2
+  84.0442 C4H6NO+ 1 84.0444 -2.56
+  84.0806 C5H10N+ 1 84.0808 -1.76
+  85.076 C4H9N2+ 1 85.076 -0.3
+  86.0599 C4H8NO+ 1 86.06 -1.42
+  86.0963 C5H12N+ 1 86.0964 -1.87
+  88.0392 C3H6NO2+ 1 88.0393 -1.72
+  95.0602 C5H7N2+ 1 95.0604 -1.69
+  96.0441 C5H6NO+ 1 96.0444 -2.89
+  97.076 C5H9N2+ 1 97.076 -0.5
+  98.0598 C5H8NO+ 1 98.06 -2.1
+  101.0708 C4H9N2O+ 1 101.0709 -1.09
+  108.0568 C7H8O+ 1 108.057 -1.75
+  111.0551 C5H7N2O+ 1 111.0553 -1.72
+  112.0866 C5H10N3+ 1 112.0869 -3.15
+  113.0706 C5H9N2O+ 1 113.0709 -2.68
+  114.1024 C5H12N3+ 1 114.1026 -1.71
+  115.0864 C5H11N2O+ 1 115.0866 -1.61
+  121.0645 C8H9O+ 1 121.0648 -2.76
+  124.1118 C8H14N+ 1 124.1121 -1.82
+  125.0706 C6H9N2O+ 1 125.0709 -2.61
+  129.066 C5H9N2O2+ 1 129.0659 0.94
+  132.0805 C9H10N+ 1 132.0808 -1.71
+  135.0799 C9H11O+ 1 135.0804 -3.7
+  136.0389 C7H6NO2+ 1 136.0393 -2.7
+  136.1116 C9H14N+ 1 136.1121 -3.72
+  138.0656 C6H8N3O+ 1 138.0662 -4.12
+  138.091 C8H12NO+ 1 138.0913 -2.39
+  141.1017 C7H13N2O+ 1 141.1022 -4.07
+  149.0701 C6H7N5+ 1 149.0696 3.21
+  150.1021 C8H12N3+ 1 150.1026 -3.19
+  153.0654 C7H9N2O2+ 1 153.0659 -3.13
+  153.1015 C8H13N2O+ 2 153.1022 -4.98
+  153.1379 C9H17N2+ 1 153.1386 -4.63
+  180.1122 C7H12N6+ 1 180.1118 2
+  181.1325 C8H15N5+ 1 181.1322 1.65
+  188.1064 C12H14NO+ 2 188.107 -3.3
+  195.1231 C9H15N4O+ 3 195.124 -4.88
+  197.1028 C7H17O6+ 3 197.102 4.1
+  208.1071 C10H14N3O2+ 2 208.1081 -4.63
+  251.1128 C10H19O7+ 3 251.1125 0.93
+PK$NUM_PEAK: 53
+PK$PEAK: m/z int. rel.int.
+  55.0543 25684.1 13
+  56.0494 121222.6 63
+  57.0698 70781.8 37
+  58.0651 33920.5 17
+  60.0555 25362.6 13
+  68.0494 327132.9 172
+  69.0336 37931.1 20
+  69.0698 74411.1 39
+  70.065 1893943.6 999
+  71.0491 21317 11
+  72.0807 203784.5 107
+  74.06 159052.7 83
+  80.0494 75221.1 39
+  84.0442 119104.6 62
+  84.0806 50914.7 26
+  85.076 66804.3 35
+  86.0599 38880.9 20
+  86.0963 635392.4 335
+  88.0392 501647.8 264
+  95.0602 111368.3 58
+  96.0441 59625.1 31
+  97.076 40659.7 21
+  98.0598 37459.2 19
+  101.0708 45169.7 23
+  108.0568 45867 24
+  111.0551 72297.7 38
+  112.0866 373055.8 196
+  113.0706 360791.7 190
+  114.1024 55773.3 29
+  115.0864 200965.6 106
+  121.0645 210097.4 110
+  124.1118 129004.3 68
+  125.0706 73720.8 38
+  129.066 35985 18
+  132.0805 60112.1 31
+  135.0799 168007.9 88
+  136.0389 51636.3 27
+  136.1116 246968.5 130
+  138.0656 170638.8 90
+  138.091 32505 17
+  141.1017 53623.5 28
+  149.0701 50763.1 26
+  150.1021 53912.7 28
+  153.0654 125517.6 66
+  153.1015 50837 26
+  153.1379 129799.5 68
+  180.1122 47588.7 25
+  181.1325 168821.6 89
+  188.1064 47501.9 25
+  195.1231 42887.3 22
+  197.1028 88752.7 46
+  208.1071 35447.6 18
+  251.1128 47701.9 25
+//
diff --git a/Eawag/MSBNK-EAWAG-EC053208.txt b/Eawag/MSBNK-EAWAG-EC053208.txt
new file mode 100644
index 0000000000..1159bd2d61
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC053208.txt
@@ -0,0 +1,154 @@
+ACCESSION: MSBNK-EAWAG-EC053208
+RECORD_TITLE: Cyanopeptolin 1014; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.aquatox.2023.106689
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 532
+CH$NAME: Cyanopeptolin 1014
+CH$NAME: 5-((15-(3-guanidinopropyl)-21-hydroxy-5-(4-hydroxybenzyl)-2-isobutyl-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-4-octanamido-5-oxopentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C49H78N10O13
+CH$EXACT_MASS: 1014.574983
+CH$SMILES: O=C(NC(CCCNC(N)=N)C(NC1C(N(C(C(N(C(C(NC2C(C)C)=O)CC3=CC=C(O)C=C3)C)=O)CC(C)C)C(O)CC1)=O)=O)C(C(OC2=O)C)NC(C(CCC(O)=O)NC(CCCCCCC)=O)=O
+CH$IUPAC: InChI=1S/C49H78N10O13/c1-8-9-10-11-12-15-37(61)53-33(21-23-39(63)64)43(66)57-41-29(6)72-48(71)40(28(4)5)56-44(67)35(26-30-16-18-31(60)19-17-30)58(7)47(70)36(25-27(2)3)59-38(62)22-20-34(46(59)69)55-42(65)32(54-45(41)68)14-13-24-52-49(50)51/h16-19,27-29,32-36,38,40-41,60,62H,8-15,20-26H2,1-7H3,(H,53,61)(H,54,68)(H,55,65)(H,56,67)(H,57,66)(H,63,64)(H4,50,51,52)
+CH$LINK: PUBCHEM CID:146684708
+CH$LINK: INCHIKEY XROOLCIJEAHFKQ-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1057
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.671 min
+MS$FOCUSED_ION: BASE_PEAK 1015.5806
+MS$FOCUSED_ION: PRECURSOR_M/Z 1015.5823
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0229-9700000000-2a7bb60c436b411b81ee
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  56.0494 C3H6N+ 1 56.0495 -1.17
+  57.0698 C4H9+ 1 57.0699 -0.82
+  58.0651 C3H8N+ 1 58.0651 -0.72
+  60.0556 CH6N3+ 1 60.0556 -1.02
+  68.0494 C4H6N+ 1 68.0495 -0.74
+  69.0335 C4H5O+ 1 69.0335 -0.3
+  69.0699 C5H9+ 1 69.0699 -0.2
+  70.0287 C3H4NO+ 1 70.0287 -0.69
+  70.0651 C4H8N+ 1 70.0651 -0.81
+  72.0807 C4H10N+ 1 72.0808 -0.56
+  74.0599 C3H8NO+ 1 74.06 -1.25
+  80.0493 C5H6N+ 1 80.0495 -1.77
+  83.0605 C4H7N2+ 1 83.0604 1.39
+  84.0443 C4H6NO+ 1 84.0444 -1.11
+  84.0808 C5H10N+ 1 84.0808 0.15
+  85.0759 C4H9N2+ 1 85.076 -1.91
+  86.0599 C4H8NO+ 1 86.06 -1.68
+  86.0964 C5H12N+ 1 86.0964 -0.54
+  88.0392 C3H6NO2+ 1 88.0393 -0.94
+  94.065 C6H8N+ 1 94.0651 -0.94
+  95.0603 C5H7N2+ 1 95.0604 -0.89
+  96.0442 C5H6NO+ 1 96.0444 -2.34
+  97.0759 C5H9N2+ 1 97.076 -1.68
+  98.06 C5H8NO+ 1 98.06 -0.54
+  101.071 C4H9N2O+ 1 101.0709 0.5
+  108.057 C7H8O+ 1 108.057 0.09
+  108.0804 C7H10N+ 1 108.0808 -3.7
+  111.055 C5H7N2O+ 1 111.0553 -2.27
+  112.0391 C5H6NO2+ 1 112.0393 -1.62
+  112.0867 C5H10N3+ 1 112.0869 -1.78
+  112.112 C7H14N+ 1 112.1121 -0.54
+  113.0707 C5H9N2O+ 1 113.0709 -2.07
+  114.0549 C5H8NO2+ 1 114.055 -0.54
+  115.0863 C5H11N2O+ 1 115.0866 -2.28
+  117.0573 C8H7N+ 1 117.0573 -0.32
+  121.0647 C8H9O+ 1 121.0648 -1
+  123.0802 C8H11O+ 1 123.0804 -2.17
+  124.1118 C8H14N+ 1 124.1121 -2.37
+  125.0708 C6H9N2O+ 1 125.0709 -1.51
+  129.066 C5H9N2O2+ 1 129.0659 1.41
+  132.0805 C9H10N+ 1 132.0808 -1.83
+  133.0886 C9H11N+ 1 133.0886 -0.26
+  135.0801 C9H11O+ 1 135.0804 -2.57
+  136.1116 C9H14N+ 1 136.1121 -3.27
+  138.0658 C6H8N3O+ 1 138.0662 -3.01
+  138.0908 C8H12NO+ 1 138.0913 -4.27
+  140.0815 C6H10N3O+ 1 140.0818 -2.77
+  141.0657 C6H9N2O2+ 1 141.0659 -1.09
+  141.1019 C7H13N2O+ 1 141.1022 -2.45
+  149.0701 C6H7N5+ 1 149.0696 3.21
+  149.0833 C9H11NO+ 1 149.0835 -1.52
+  150.1023 C8H12N3+ 1 150.1026 -1.66
+  153.066 C7H9N2O2+ 1 153.0659 0.66
+  153.1381 C9H17N2+ 1 153.1386 -3.34
+  164.1063 C10H14NO+ 2 164.107 -4.02
+  180.112 C7H12N6+ 1 180.1118 1.16
+PK$NUM_PEAK: 56
+PK$PEAK: m/z int. rel.int.
+  56.0494 160207.3 87
+  57.0698 134343.3 73
+  58.0651 35394.9 19
+  60.0556 24439 13
+  68.0494 474669 260
+  69.0335 51006.5 27
+  69.0699 131054.7 71
+  70.0287 99708 54
+  70.0651 1823564 999
+  72.0807 187805.9 102
+  74.0599 157159.1 86
+  80.0493 94886.2 51
+  83.0605 23989.1 13
+  84.0443 147538.7 80
+  84.0808 77256 42
+  85.0759 83519.6 45
+  86.0599 35984.8 19
+  86.0964 382098.4 209
+  88.0392 536768.3 294
+  94.065 22979.2 12
+  95.0603 173816.7 95
+  96.0442 50061.8 27
+  97.0759 63326.4 34
+  98.06 57584.5 31
+  101.071 39370.8 21
+  108.057 51015.4 27
+  108.0804 28119.3 15
+  111.055 93217.8 51
+  112.0391 27350.5 14
+  112.0867 268804.1 147
+  112.112 43913 24
+  113.0707 189962.6 104
+  114.0549 69177.6 37
+  115.0863 171105.1 93
+  117.0573 29325.5 16
+  121.0647 238072.1 130
+  123.0802 45830.3 25
+  124.1118 94519.7 51
+  125.0708 102699.7 56
+  129.066 55980.2 30
+  132.0805 113938.5 62
+  133.0886 38002 20
+  135.0801 192996.5 105
+  136.1116 170830.1 93
+  138.0658 113141.5 61
+  138.0908 47772.4 26
+  140.0815 43083.8 23
+  141.0657 33901.3 18
+  141.1019 32428.7 17
+  149.0701 85168.6 46
+  149.0833 177414.1 97
+  150.1023 47792.1 26
+  153.066 96309.4 52
+  153.1381 43073.9 23
+  164.1063 1339541.2 733
+  180.112 30097.8 16
+//
diff --git a/Eawag/MSBNK-EAWAG-EC053209.txt b/Eawag/MSBNK-EAWAG-EC053209.txt
new file mode 100644
index 0000000000..44961973a9
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC053209.txt
@@ -0,0 +1,148 @@
+ACCESSION: MSBNK-EAWAG-EC053209
+RECORD_TITLE: Cyanopeptolin 1014; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.aquatox.2023.106689
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 532
+CH$NAME: Cyanopeptolin 1014
+CH$NAME: 5-((15-(3-guanidinopropyl)-21-hydroxy-5-(4-hydroxybenzyl)-2-isobutyl-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-4-octanamido-5-oxopentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C49H78N10O13
+CH$EXACT_MASS: 1014.574983
+CH$SMILES: O=C(NC(CCCNC(N)=N)C(NC1C(N(C(C(N(C(C(NC2C(C)C)=O)CC3=CC=C(O)C=C3)C)=O)CC(C)C)C(O)CC1)=O)=O)C(C(OC2=O)C)NC(C(CCC(O)=O)NC(CCCCCCC)=O)=O
+CH$IUPAC: InChI=1S/C49H78N10O13/c1-8-9-10-11-12-15-37(61)53-33(21-23-39(63)64)43(66)57-41-29(6)72-48(71)40(28(4)5)56-44(67)35(26-30-16-18-31(60)19-17-30)58(7)47(70)36(25-27(2)3)59-38(62)22-20-34(46(59)69)55-42(65)32(54-45(41)68)14-13-24-52-49(50)51/h16-19,27-29,32-36,38,40-41,60,62H,8-15,20-26H2,1-7H3,(H,53,61)(H,54,68)(H,55,65)(H,56,67)(H,57,66)(H,63,64)(H4,50,51,52)
+CH$LINK: PUBCHEM CID:146684708
+CH$LINK: INCHIKEY XROOLCIJEAHFKQ-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1057
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.671 min
+MS$FOCUSED_ION: BASE_PEAK 1015.5806
+MS$FOCUSED_ION: PRECURSOR_M/Z 1015.5823
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00di-9500000000-ba90ac713724ca8a4d3b
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  55.0541 C4H7+ 1 55.0542 -2.12
+  56.0495 C3H6N+ 1 56.0495 -0.42
+  57.0697 C4H9+ 1 57.0699 -2.76
+  58.065 C3H8N+ 1 58.0651 -2.23
+  67.0541 C5H7+ 1 67.0542 -1.5
+  68.0494 C4H6N+ 1 68.0495 -1.08
+  69.0334 C4H5O+ 1 69.0335 -0.85
+  69.0698 C5H9+ 1 69.0699 -1.08
+  70.0287 C3H4NO+ 1 70.0287 -0.91
+  70.065 C4H8N+ 1 70.0651 -1.14
+  71.0491 C4H7O+ 1 71.0491 0.08
+  72.0807 C4H10N+ 1 72.0808 -0.56
+  74.0599 C3H8NO+ 1 74.06 -1.66
+  80.0494 C5H6N+ 1 80.0495 -1.48
+  82.0651 C5H8N+ 1 82.0651 0.07
+  83.0602 C4H7N2+ 1 83.0604 -1.92
+  84.0443 C4H6NO+ 1 84.0444 -1.66
+  84.0807 C5H10N+ 1 84.0808 -1.39
+  85.0759 C4H9N2+ 1 85.076 -1.37
+  86.06 C4H8NO+ 1 86.06 -0.53
+  86.0963 C5H12N+ 1 86.0964 -0.89
+  88.0392 C3H6NO2+ 1 88.0393 -1.29
+  91.0543 C7H7+ 1 91.0542 0.82
+  94.0648 C6H8N+ 1 94.0651 -2.97
+  95.0602 C5H7N2+ 1 95.0604 -1.37
+  97.0757 C5H9N2+ 1 97.076 -3.49
+  98.0596 C5H8NO+ 1 98.06 -4.12
+  101.0708 C4H9N2O+ 1 101.0709 -1.84
+  108.0567 C7H8O+ 1 108.057 -2.59
+  110.0599 C6H8NO+ 1 110.06 -1.09
+  111.0551 C5H7N2O+ 1 111.0553 -1.79
+  112.0392 C5H6NO2+ 1 112.0393 -1.21
+  112.0867 C5H10N3+ 1 112.0869 -1.85
+  113.0707 C5H9N2O+ 1 113.0709 -1.73
+  114.0549 C5H8NO2+ 1 114.055 -0.47
+  115.0863 C5H11N2O+ 1 115.0866 -2.34
+  117.057 C8H7N+ 1 117.0573 -2.86
+  121.0646 C8H9O+ 1 121.0648 -1.63
+  123.0803 C8H11O+ 1 123.0804 -1.3
+  125.0707 C6H9N2O+ 1 125.0709 -1.57
+  129.0655 C5H9N2O2+ 1 129.0659 -2.49
+  132.0802 C9H10N+ 1 132.0808 -4.72
+  134.0597 C8H8NO+ 1 134.06 -2.29
+  135.08 C9H11O+ 1 135.0804 -2.9
+  136.1117 C9H14N+ 1 136.1121 -2.49
+  138.0658 C6H8N3O+ 1 138.0662 -3.13
+  138.091 C8H12NO+ 1 138.0913 -2.39
+  141.1017 C7H13N2O+ 1 141.1022 -3.64
+  149.07 C6H7N5+ 1 149.0696 2.9
+  149.0832 C9H11NO+ 1 149.0835 -2.24
+  150.1021 C8H12N3+ 1 150.1026 -3.29
+  153.1022 C8H13N2O+ 1 153.1022 -0.29
+  164.1063 C10H14NO+ 2 164.107 -3.92
+PK$NUM_PEAK: 53
+PK$PEAK: m/z int. rel.int.
+  55.0541 39099.1 19
+  56.0495 167463.2 85
+  57.0697 113368.7 57
+  58.065 44195.6 22
+  67.0541 27689.8 14
+  68.0494 598988.8 305
+  69.0334 71086.3 36
+  69.0698 153247.3 78
+  70.0287 97846.2 49
+  70.065 1956340.1 999
+  71.0491 40609.7 20
+  72.0807 176184.3 89
+  74.0599 150051.5 76
+  80.0494 134540 68
+  82.0651 49722.9 25
+  83.0602 45814 23
+  84.0443 148077.6 75
+  84.0807 75017.3 38
+  85.0759 88614.7 45
+  86.06 32148 16
+  86.0963 282781.4 144
+  88.0392 436551.9 222
+  91.0543 43636.8 22
+  94.0648 36065.6 18
+  95.0602 216422.5 110
+  97.0757 90863.1 46
+  98.0596 71958 36
+  101.0708 23150.7 11
+  108.0567 81561.6 41
+  110.0599 32377.8 16
+  111.0551 107306.5 54
+  112.0392 37082.6 18
+  112.0867 199780.5 102
+  113.0707 106598.9 54
+  114.0549 58322.6 29
+  115.0863 112294.4 57
+  117.057 51760.1 26
+  121.0646 307473.7 157
+  123.0803 60092.4 30
+  125.0707 135331.5 69
+  129.0655 35376.4 18
+  132.0802 119128.9 60
+  134.0597 38893.5 19
+  135.08 147518.1 75
+  136.1117 125114.3 63
+  138.0658 83479.9 42
+  138.091 35526.6 18
+  141.1017 34713.3 17
+  149.07 77637.8 39
+  149.0832 275503.4 140
+  150.1021 57032.4 29
+  153.1022 36496.5 18
+  164.1063 830678.3 424
+//
diff --git a/Eawag/MSBNK-EAWAG-EC053251.txt b/Eawag/MSBNK-EAWAG-EC053251.txt
new file mode 100644
index 0000000000..a5abc920a8
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC053251.txt
@@ -0,0 +1,48 @@
+ACCESSION: MSBNK-EAWAG-EC053251
+RECORD_TITLE: Cyanopeptolin 1014; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.aquatox.2023.106689
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 532
+CH$NAME: Cyanopeptolin 1014
+CH$NAME: 5-((15-(3-guanidinopropyl)-21-hydroxy-5-(4-hydroxybenzyl)-2-isobutyl-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-4-octanamido-5-oxopentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C49H78N10O13
+CH$EXACT_MASS: 1014.574983
+CH$SMILES: O=C(NC(CCCNC(N)=N)C(NC1C(N(C(C(N(C(C(NC2C(C)C)=O)CC3=CC=C(O)C=C3)C)=O)CC(C)C)C(O)CC1)=O)=O)C(C(OC2=O)C)NC(C(CCC(O)=O)NC(CCCCCCC)=O)=O
+CH$IUPAC: InChI=1S/C49H78N10O13/c1-8-9-10-11-12-15-37(61)53-33(21-23-39(63)64)43(66)57-41-29(6)72-48(71)40(28(4)5)56-44(67)35(26-30-16-18-31(60)19-17-30)58(7)47(70)36(25-27(2)3)59-38(62)22-20-34(46(59)69)55-42(65)32(54-45(41)68)14-13-24-52-49(50)51/h16-19,27-29,32-36,38,40-41,60,62H,8-15,20-26H2,1-7H3,(H,53,61)(H,54,68)(H,55,65)(H,56,67)(H,57,66)(H,63,64)(H4,50,51,52)
+CH$LINK: PUBCHEM CID:146684708
+CH$LINK: INCHIKEY XROOLCIJEAHFKQ-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1055
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.657 min
+MS$FOCUSED_ION: BASE_PEAK 1021.5373
+MS$FOCUSED_ION: PRECURSOR_M/Z 1013.5677
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03di-9000000000-8a755c06afd6cef7e112
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  852.4264 C41H58N9O11- 5 852.4261 0.31
+  995.5579 C49H75N10O12- 1 995.5571 0.78
+  1013.5681 C49H77N10O13- 1 1013.5677 0.42
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  852.4264 39566.5 32
+  995.5579 63028.9 51
+  1013.5681 1222301.4 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC053252.txt b/Eawag/MSBNK-EAWAG-EC053252.txt
new file mode 100644
index 0000000000..21d1e0cd7f
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC053252.txt
@@ -0,0 +1,50 @@
+ACCESSION: MSBNK-EAWAG-EC053252
+RECORD_TITLE: Cyanopeptolin 1014; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.aquatox.2023.106689
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 532
+CH$NAME: Cyanopeptolin 1014
+CH$NAME: 5-((15-(3-guanidinopropyl)-21-hydroxy-5-(4-hydroxybenzyl)-2-isobutyl-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-4-octanamido-5-oxopentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C49H78N10O13
+CH$EXACT_MASS: 1014.574983
+CH$SMILES: O=C(NC(CCCNC(N)=N)C(NC1C(N(C(C(N(C(C(NC2C(C)C)=O)CC3=CC=C(O)C=C3)C)=O)CC(C)C)C(O)CC1)=O)=O)C(C(OC2=O)C)NC(C(CCC(O)=O)NC(CCCCCCC)=O)=O
+CH$IUPAC: InChI=1S/C49H78N10O13/c1-8-9-10-11-12-15-37(61)53-33(21-23-39(63)64)43(66)57-41-29(6)72-48(71)40(28(4)5)56-44(67)35(26-30-16-18-31(60)19-17-30)58(7)47(70)36(25-27(2)3)59-38(62)22-20-34(46(59)69)55-42(65)32(54-45(41)68)14-13-24-52-49(50)51/h16-19,27-29,32-36,38,40-41,60,62H,8-15,20-26H2,1-7H3,(H,53,61)(H,54,68)(H,55,65)(H,56,67)(H,57,66)(H,63,64)(H4,50,51,52)
+CH$LINK: PUBCHEM CID:146684708
+CH$LINK: INCHIKEY XROOLCIJEAHFKQ-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1055
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.657 min
+MS$FOCUSED_ION: BASE_PEAK 1021.5373
+MS$FOCUSED_ION: PRECURSOR_M/Z 1013.5677
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03dj-9000020014-13092e24688d3fdbc217
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  549.2794 C25H43NO12- 9 549.2791 0.66
+  852.4238 C41H58N9O11- 4 852.4261 -2.77
+  995.5576 C49H75N10O12- 1 995.5571 0.42
+  1013.5682 C49H77N10O13- 1 1013.5677 0.48
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  549.2794 257263.8 326
+  852.4238 136403.9 173
+  995.5576 380156.4 483
+  1013.5682 786268.8 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC053253.txt b/Eawag/MSBNK-EAWAG-EC053253.txt
new file mode 100644
index 0000000000..77cec7df77
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC053253.txt
@@ -0,0 +1,50 @@
+ACCESSION: MSBNK-EAWAG-EC053253
+RECORD_TITLE: Cyanopeptolin 1014; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.aquatox.2023.106689
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 532
+CH$NAME: Cyanopeptolin 1014
+CH$NAME: 5-((15-(3-guanidinopropyl)-21-hydroxy-5-(4-hydroxybenzyl)-2-isobutyl-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-4-octanamido-5-oxopentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C49H78N10O13
+CH$EXACT_MASS: 1014.574983
+CH$SMILES: O=C(NC(CCCNC(N)=N)C(NC1C(N(C(C(N(C(C(NC2C(C)C)=O)CC3=CC=C(O)C=C3)C)=O)CC(C)C)C(O)CC1)=O)=O)C(C(OC2=O)C)NC(C(CCC(O)=O)NC(CCCCCCC)=O)=O
+CH$IUPAC: InChI=1S/C49H78N10O13/c1-8-9-10-11-12-15-37(61)53-33(21-23-39(63)64)43(66)57-41-29(6)72-48(71)40(28(4)5)56-44(67)35(26-30-16-18-31(60)19-17-30)58(7)47(70)36(25-27(2)3)59-38(62)22-20-34(46(59)69)55-42(65)32(54-45(41)68)14-13-24-52-49(50)51/h16-19,27-29,32-36,38,40-41,60,62H,8-15,20-26H2,1-7H3,(H,53,61)(H,54,68)(H,55,65)(H,56,67)(H,57,66)(H,63,64)(H4,50,51,52)
+CH$LINK: PUBCHEM CID:146684708
+CH$LINK: INCHIKEY XROOLCIJEAHFKQ-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1055
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.657 min
+MS$FOCUSED_ION: BASE_PEAK 1021.5373
+MS$FOCUSED_ION: PRECURSOR_M/Z 1013.5677
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0f6t-0000090064-fb729487f2d09b7029e5
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  531.2686 C40H35O- 9 531.2693 -1.46
+  549.2789 C24H37N8O7- 8 549.2791 -0.33
+  852.4263 C41H58N9O11- 5 852.4261 0.16
+  995.5577 C49H75N10O12- 1 995.5571 0.6
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  531.2686 155531.8 292
+  549.2789 530308 999
+  852.4263 487101.2 917
+  995.5577 355940.6 670
+//
diff --git a/Eawag/MSBNK-EAWAG-EC053254.txt b/Eawag/MSBNK-EAWAG-EC053254.txt
new file mode 100644
index 0000000000..40039172d2
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC053254.txt
@@ -0,0 +1,52 @@
+ACCESSION: MSBNK-EAWAG-EC053254
+RECORD_TITLE: Cyanopeptolin 1014; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.aquatox.2023.106689
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 532
+CH$NAME: Cyanopeptolin 1014
+CH$NAME: 5-((15-(3-guanidinopropyl)-21-hydroxy-5-(4-hydroxybenzyl)-2-isobutyl-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-4-octanamido-5-oxopentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C49H78N10O13
+CH$EXACT_MASS: 1014.574983
+CH$SMILES: O=C(NC(CCCNC(N)=N)C(NC1C(N(C(C(N(C(C(NC2C(C)C)=O)CC3=CC=C(O)C=C3)C)=O)CC(C)C)C(O)CC1)=O)=O)C(C(OC2=O)C)NC(C(CCC(O)=O)NC(CCCCCCC)=O)=O
+CH$IUPAC: InChI=1S/C49H78N10O13/c1-8-9-10-11-12-15-37(61)53-33(21-23-39(63)64)43(66)57-41-29(6)72-48(71)40(28(4)5)56-44(67)35(26-30-16-18-31(60)19-17-30)58(7)47(70)36(25-27(2)3)59-38(62)22-20-34(46(59)69)55-42(65)32(54-45(41)68)14-13-24-52-49(50)51/h16-19,27-29,32-36,38,40-41,60,62H,8-15,20-26H2,1-7H3,(H,53,61)(H,54,68)(H,55,65)(H,56,67)(H,57,66)(H,63,64)(H4,50,51,52)
+CH$LINK: PUBCHEM CID:146684708
+CH$LINK: INCHIKEY XROOLCIJEAHFKQ-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1055
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.657 min
+MS$FOCUSED_ION: BASE_PEAK 1021.5373
+MS$FOCUSED_ION: PRECURSOR_M/Z 1013.5677
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0udj-0000070090-019be9d65d9366968963
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  179.0456 C6H5N5O2- 2 179.0449 3.86
+  251.1143 C11H15N4O3- 3 251.115 -2.61
+  531.2692 C40H35O- 9 531.2693 -0.19
+  549.2788 C24H37N8O7- 8 549.2791 -0.44
+  852.4257 C41H58N9O11- 4 852.4261 -0.55
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  179.0456 33689.6 62
+  251.1143 33663.8 62
+  531.2692 105205.2 196
+  549.2788 349433.6 651
+  852.4257 536131.6 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC055101.txt b/Eawag/MSBNK-EAWAG-EC055101.txt
new file mode 100644
index 0000000000..6add0222b0
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC055101.txt
@@ -0,0 +1,44 @@
+ACCESSION: MSBNK-EAWAG-EC055101
+RECORD_TITLE: Cyanopeptolin CP990; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md21100508
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 551
+CH$NAME: Cyanopeptolin CP990
+CH$NAME: 4-((2,5-dibenzyl-15-(3-guanidinopropyl)-21-hydroxy-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-hexanamido-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C49H70N10O12
+CH$EXACT_MASS: 990.5174677
+CH$SMILES: O=C(NC(C(NC(C(NC(CCCNC(N)=N)C(NC1C(N(C(C(N(C(C(NC2C(C)C)=O)CC3=CC=CC=C3)C)=O)CC4=CC=CC=C4)C(O)CC1)=O)=O)=O)C(OC2=O)C)=O)CC(O)=O)CCCCC
+CH$IUPAC: InChI=1S/C49H70N10O12/c1-6-7-10-21-37(60)53-34(27-39(62)63)43(65)57-41-29(4)71-48(70)40(28(2)3)56-44(66)35(25-30-16-11-8-12-17-30)58(5)47(69)36(26-31-18-13-9-14-19-31)59-38(61)23-22-33(46(59)68)55-42(64)32(54-45(41)67)20-15-24-52-49(50)51/h8-9,11-14,16-19,28-29,32-36,38,40-41,61H,6-7,10,15,20-27H2,1-5H3,(H,53,60)(H,54,67)(H,55,64)(H,56,66)(H,57,65)(H,62,63)(H4,50,51,52)
+CH$LINK: PUBCHEM CID:146682046
+CH$LINK: INCHIKEY HFRWIDDUABJXBW-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1032
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.626 min
+MS$FOCUSED_ION: BASE_PEAK 991.5243
+MS$FOCUSED_ION: PRECURSOR_M/Z 991.5247
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0006-0000000009-5f6c92063cfb5e5d8dd6
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  991.5249 C49H71N10O12+ 1 991.5247 0.18
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  991.5249 4796209.5 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC055102.txt b/Eawag/MSBNK-EAWAG-EC055102.txt
new file mode 100644
index 0000000000..66bdc70666
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC055102.txt
@@ -0,0 +1,48 @@
+ACCESSION: MSBNK-EAWAG-EC055102
+RECORD_TITLE: Cyanopeptolin CP990; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md21100508
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 551
+CH$NAME: Cyanopeptolin CP990
+CH$NAME: 4-((2,5-dibenzyl-15-(3-guanidinopropyl)-21-hydroxy-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-hexanamido-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C49H70N10O12
+CH$EXACT_MASS: 990.5174677
+CH$SMILES: O=C(NC(C(NC(C(NC(CCCNC(N)=N)C(NC1C(N(C(C(N(C(C(NC2C(C)C)=O)CC3=CC=CC=C3)C)=O)CC4=CC=CC=C4)C(O)CC1)=O)=O)=O)C(OC2=O)C)=O)CC(O)=O)CCCCC
+CH$IUPAC: InChI=1S/C49H70N10O12/c1-6-7-10-21-37(60)53-34(27-39(62)63)43(65)57-41-29(4)71-48(70)40(28(2)3)56-44(66)35(25-30-16-11-8-12-17-30)58(5)47(69)36(26-31-18-13-9-14-19-31)59-38(61)23-22-33(46(59)68)55-42(64)32(54-45(41)67)20-15-24-52-49(50)51/h8-9,11-14,16-19,28-29,32-36,38,40-41,61H,6-7,10,15,20-27H2,1-5H3,(H,53,60)(H,54,67)(H,55,64)(H,56,66)(H,57,65)(H,62,63)(H4,50,51,52)
+CH$LINK: PUBCHEM CID:146682046
+CH$LINK: INCHIKEY HFRWIDDUABJXBW-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1032
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.626 min
+MS$FOCUSED_ION: BASE_PEAK 991.5243
+MS$FOCUSED_ION: PRECURSOR_M/Z 991.5247
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0006-0000000109-ff366efa224c38790b29
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  778.4251 C39H56N9O8+ 9 778.4246 0.64
+  973.5147 C49H69N10O11+ 1 973.5142 0.5
+  991.5255 C49H71N10O12+ 1 991.5247 0.8
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  778.4251 526497.8 182
+  973.5147 493642.5 171
+  991.5255 2875312.8 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC055103.txt b/Eawag/MSBNK-EAWAG-EC055103.txt
new file mode 100644
index 0000000000..da089073d3
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC055103.txt
@@ -0,0 +1,54 @@
+ACCESSION: MSBNK-EAWAG-EC055103
+RECORD_TITLE: Cyanopeptolin CP990; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md21100508
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 551
+CH$NAME: Cyanopeptolin CP990
+CH$NAME: 4-((2,5-dibenzyl-15-(3-guanidinopropyl)-21-hydroxy-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-hexanamido-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C49H70N10O12
+CH$EXACT_MASS: 990.5174677
+CH$SMILES: O=C(NC(C(NC(C(NC(CCCNC(N)=N)C(NC1C(N(C(C(N(C(C(NC2C(C)C)=O)CC3=CC=CC=C3)C)=O)CC4=CC=CC=C4)C(O)CC1)=O)=O)=O)C(OC2=O)C)=O)CC(O)=O)CCCCC
+CH$IUPAC: InChI=1S/C49H70N10O12/c1-6-7-10-21-37(60)53-34(27-39(62)63)43(65)57-41-29(4)71-48(70)40(28(2)3)56-44(66)35(25-30-16-11-8-12-17-30)58(5)47(69)36(26-31-18-13-9-14-19-31)59-38(61)23-22-33(46(59)68)55-42(64)32(54-45(41)67)20-15-24-52-49(50)51/h8-9,11-14,16-19,28-29,32-36,38,40-41,61H,6-7,10,15,20-27H2,1-5H3,(H,53,60)(H,54,67)(H,55,64)(H,56,66)(H,57,65)(H,62,63)(H4,50,51,52)
+CH$LINK: PUBCHEM CID:146682046
+CH$LINK: INCHIKEY HFRWIDDUABJXBW-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1032
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.626 min
+MS$FOCUSED_ION: BASE_PEAK 991.5243
+MS$FOCUSED_ION: PRECURSOR_M/Z 991.5247
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-01xx-0000100709-528a8a9c985049843c62
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  243.1128 C14H15N2O2+ 2 243.1128 0
+  404.197 C24H26N3O3+ 5 404.1969 0.39
+  760.4141 C38H58N5O11+ 7 760.4127 1.85
+  778.4251 C39H56N9O8+ 9 778.4246 0.56
+  973.5154 C49H69N10O11+ 1 973.5142 1.25
+  991.5251 C49H71N10O12+ 1 991.5247 0.37
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  243.1128 36873.6 34
+  404.197 307137.5 289
+  760.4141 725319.7 682
+  778.4251 836697.3 787
+  973.5154 731271.5 688
+  991.5251 1061683.9 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC055104.txt b/Eawag/MSBNK-EAWAG-EC055104.txt
new file mode 100644
index 0000000000..2dd049a164
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC055104.txt
@@ -0,0 +1,68 @@
+ACCESSION: MSBNK-EAWAG-EC055104
+RECORD_TITLE: Cyanopeptolin CP990; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md21100508
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 551
+CH$NAME: Cyanopeptolin CP990
+CH$NAME: 4-((2,5-dibenzyl-15-(3-guanidinopropyl)-21-hydroxy-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-hexanamido-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C49H70N10O12
+CH$EXACT_MASS: 990.5174677
+CH$SMILES: O=C(NC(C(NC(C(NC(CCCNC(N)=N)C(NC1C(N(C(C(N(C(C(NC2C(C)C)=O)CC3=CC=CC=C3)C)=O)CC4=CC=CC=C4)C(O)CC1)=O)=O)=O)C(OC2=O)C)=O)CC(O)=O)CCCCC
+CH$IUPAC: InChI=1S/C49H70N10O12/c1-6-7-10-21-37(60)53-34(27-39(62)63)43(65)57-41-29(4)71-48(70)40(28(2)3)56-44(66)35(25-30-16-11-8-12-17-30)58(5)47(69)36(26-31-18-13-9-14-19-31)59-38(61)23-22-33(46(59)68)55-42(64)32(54-45(41)67)20-15-24-52-49(50)51/h8-9,11-14,16-19,28-29,32-36,38,40-41,61H,6-7,10,15,20-27H2,1-5H3,(H,53,60)(H,54,67)(H,55,64)(H,56,66)(H,57,65)(H,62,63)(H4,50,51,52)
+CH$LINK: PUBCHEM CID:146682046
+CH$LINK: INCHIKEY HFRWIDDUABJXBW-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1032
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.626 min
+MS$FOCUSED_ION: BASE_PEAK 991.5243
+MS$FOCUSED_ION: PRECURSOR_M/Z 991.5247
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0w30-0540700902-4078aa6fc2b3ea59560d
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  70.0651 C4H8N+ 1 70.0651 -0.41
+  112.0874 C5H10N3+ 1 112.0869 4.24
+  134.0963 C9H12N+ 1 134.0964 -0.71
+  190.0866 C11H12NO2+ 1 190.0863 2.01
+  215.1177 C13H15N2O+ 2 215.1179 -0.75
+  241.1292 C10H17N4O3+ 3 241.1295 -1.34
+  243.1125 C14H15N2O2+ 3 243.1128 -1.13
+  292.1335 C5H20N6O8+ 4 292.1337 -0.62
+  404.197 C24H26N3O3+ 5 404.1969 0.24
+  453.2451 C20H33N6O6+ 7 453.2456 -1.2
+  742.402 C38H56N5O10+ 6 742.4022 -0.24
+  760.4143 C38H58N5O11+ 9 760.4127 2.1
+  973.5148 C49H69N10O11+ 1 973.5142 0.62
+PK$NUM_PEAK: 13
+PK$PEAK: m/z int. rel.int.
+  70.0651 86819.8 85
+  112.0874 73193.6 72
+  134.0963 535535.4 528
+  190.0866 55558 54
+  215.1177 133768.7 132
+  241.1292 50460.4 49
+  243.1125 278432.5 274
+  292.1335 69051.8 68
+  404.197 854467.8 843
+  453.2451 177419.7 175
+  742.402 157082.6 155
+  760.4143 1011557.1 999
+  973.5148 330458.5 326
+//
diff --git a/Eawag/MSBNK-EAWAG-EC055105.txt b/Eawag/MSBNK-EAWAG-EC055105.txt
new file mode 100644
index 0000000000..006e9e220a
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC055105.txt
@@ -0,0 +1,116 @@
+ACCESSION: MSBNK-EAWAG-EC055105
+RECORD_TITLE: Cyanopeptolin CP990; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md21100508
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 551
+CH$NAME: Cyanopeptolin CP990
+CH$NAME: 4-((2,5-dibenzyl-15-(3-guanidinopropyl)-21-hydroxy-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-hexanamido-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C49H70N10O12
+CH$EXACT_MASS: 990.5174677
+CH$SMILES: O=C(NC(C(NC(C(NC(CCCNC(N)=N)C(NC1C(N(C(C(N(C(C(NC2C(C)C)=O)CC3=CC=CC=C3)C)=O)CC4=CC=CC=C4)C(O)CC1)=O)=O)=O)C(OC2=O)C)=O)CC(O)=O)CCCCC
+CH$IUPAC: InChI=1S/C49H70N10O12/c1-6-7-10-21-37(60)53-34(27-39(62)63)43(65)57-41-29(4)71-48(70)40(28(2)3)56-44(66)35(25-30-16-11-8-12-17-30)58(5)47(69)36(26-31-18-13-9-14-19-31)59-38(61)23-22-33(46(59)68)55-42(64)32(54-45(41)67)20-15-24-52-49(50)51/h8-9,11-14,16-19,28-29,32-36,38,40-41,61H,6-7,10,15,20-27H2,1-5H3,(H,53,60)(H,54,67)(H,55,64)(H,56,66)(H,57,65)(H,62,63)(H4,50,51,52)
+CH$LINK: PUBCHEM CID:146682046
+CH$LINK: INCHIKEY HFRWIDDUABJXBW-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1032
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.626 min
+MS$FOCUSED_ION: BASE_PEAK 991.5243
+MS$FOCUSED_ION: PRECURSOR_M/Z 991.5247
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-008c-2960000000-1c6c188775c7b34dfc85
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  68.0496 C4H6N+ 1 68.0495 1.67
+  70.0652 C4H8N+ 1 70.0651 0.35
+  72.0806 C4H10N+ 1 72.0808 -2.68
+  74.06 C3H8NO+ 1 74.06 -0.6
+  84.0445 C4H6NO+ 1 84.0444 0.88
+  88.0393 C3H6NO2+ 1 88.0393 -0.17
+  112.0869 C5H10N3+ 1 112.0869 -0.39
+  113.071 C5H9N2O+ 1 113.0709 0.48
+  115.0868 C5H11N2O+ 1 115.0866 1.61
+  120.0808 C8H10N+ 1 120.0808 0.52
+  134.0964 C9H12N+ 1 134.0964 -0.26
+  138.0662 C6H8N3O+ 1 138.0662 0.42
+  140.0818 C6H10N3O+ 1 140.0818 -0.04
+  146.0967 C10H12N+ 1 146.0964 1.55
+  157.1085 C6H13N4O+ 1 157.1084 0.88
+  158.096 C11H12N+ 1 158.0964 -2.6
+  162.0907 C8H10N4+ 2 162.09 4.37
+  179.1288 C9H15N4+ 1 179.1291 -2.03
+  181.0968 C9H13N2O2+ 1 181.0972 -2.17
+  186.1123 C9H16NO3+ 1 186.1125 -0.72
+  187.123 C12H15N2+ 1 187.123 0.22
+  190.0856 C11H12NO2+ 2 190.0863 -3.61
+  197.1036 C8H13N4O2+ 1 197.1033 1.51
+  199.0714 C8H11N2O4+ 1 199.0713 0.35
+  214.1076 C10H16NO4+ 1 214.1074 0.92
+  215.1178 C13H15N2O+ 2 215.1179 -0.32
+  223.1189 C10H15N4O2+ 1 223.119 -0.01
+  240.1465 C12H20N2O3+ 2 240.1468 -1.57
+  241.1295 C10H17N4O3+ 1 241.1295 -0.27
+  243.1128 C14H15N2O2+ 2 243.1128 0.18
+  251.1397 CH23N4O10+ 2 251.1409 -4.54
+  279.1707 CH25N7O9+ 2 279.1708 -0.55
+  292.1341 C5H20N6O8+ 4 292.1337 1.47
+  296.1609 H24N8O10+ 5 296.161 -0.16
+  331.1803 C20H21N5+ 6 331.1791 3.59
+  436.2191 C20H30N5O6+ 7 436.2191 -0.02
+  760.4144 C38H58N5O11+ 9 760.4127 2.18
+PK$NUM_PEAK: 37
+PK$PEAK: m/z int. rel.int.
+  68.0496 75118.3 32
+  70.0652 1008396.5 437
+  72.0806 85059.1 36
+  74.06 60299.6 26
+  84.0445 43060.5 18
+  88.0393 145149.2 62
+  112.0869 512630.8 222
+  113.071 270361.4 117
+  115.0868 133470 57
+  120.0808 549247.2 238
+  134.0964 2304916 999
+  138.0662 257144 111
+  140.0818 33650.9 14
+  146.0967 53369.3 23
+  157.1085 61526.5 26
+  158.096 114068.7 49
+  162.0907 203029.5 87
+  179.1288 53217.4 23
+  181.0968 47463.4 20
+  186.1123 26450.7 11
+  187.123 263415.6 114
+  190.0856 99988.8 43
+  197.1036 188774.7 81
+  199.0714 115204.8 49
+  214.1076 167413.4 72
+  215.1178 895530.8 388
+  223.1189 546952.1 237
+  240.1465 200529.3 86
+  241.1295 288028.9 124
+  243.1128 729858.3 316
+  251.1397 44433.3 19
+  279.1707 227242.4 98
+  292.1341 445354.2 193
+  296.1609 71961.1 31
+  331.1803 181992.9 78
+  436.2191 331737.3 143
+  760.4144 93784.1 40
+//
diff --git a/Eawag/MSBNK-EAWAG-EC055106.txt b/Eawag/MSBNK-EAWAG-EC055106.txt
new file mode 100644
index 0000000000..10e8e7a273
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC055106.txt
@@ -0,0 +1,170 @@
+ACCESSION: MSBNK-EAWAG-EC055106
+RECORD_TITLE: Cyanopeptolin CP990; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md21100508
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 551
+CH$NAME: Cyanopeptolin CP990
+CH$NAME: 4-((2,5-dibenzyl-15-(3-guanidinopropyl)-21-hydroxy-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-hexanamido-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C49H70N10O12
+CH$EXACT_MASS: 990.5174677
+CH$SMILES: O=C(NC(C(NC(C(NC(CCCNC(N)=N)C(NC1C(N(C(C(N(C(C(NC2C(C)C)=O)CC3=CC=CC=C3)C)=O)CC4=CC=CC=C4)C(O)CC1)=O)=O)=O)C(OC2=O)C)=O)CC(O)=O)CCCCC
+CH$IUPAC: InChI=1S/C49H70N10O12/c1-6-7-10-21-37(60)53-34(27-39(62)63)43(65)57-41-29(4)71-48(70)40(28(2)3)56-44(66)35(25-30-16-11-8-12-17-30)58(5)47(69)36(26-31-18-13-9-14-19-31)59-38(61)23-22-33(46(59)68)55-42(64)32(54-45(41)67)20-15-24-52-49(50)51/h8-9,11-14,16-19,28-29,32-36,38,40-41,61H,6-7,10,15,20-27H2,1-5H3,(H,53,60)(H,54,67)(H,55,64)(H,56,66)(H,57,65)(H,62,63)(H4,50,51,52)
+CH$LINK: PUBCHEM CID:146682046
+CH$LINK: INCHIKEY HFRWIDDUABJXBW-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1032
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.626 min
+MS$FOCUSED_ION: BASE_PEAK 991.5243
+MS$FOCUSED_ION: PRECURSOR_M/Z 991.5247
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-00e9-4920000000-5bacd3af0dad5f4cb4fa
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  56.0495 C3H6N+ 1 56.0495 0.34
+  60.0555 CH6N3+ 1 60.0556 -2.6
+  68.0495 C4H6N+ 1 68.0495 0.88
+  69.0336 C4H5O+ 1 69.0335 1.58
+  70.0651 C4H8N+ 1 70.0651 0.14
+  71.0856 C5H11+ 1 71.0855 1.24
+  72.0808 C4H10N+ 1 72.0808 -0.25
+  74.06 C3H8NO+ 1 74.06 -0.29
+  84.0445 C4H6NO+ 1 84.0444 1.43
+  85.0758 C4H9N2+ 1 85.076 -2.53
+  86.0601 C4H8NO+ 1 86.06 0.39
+  88.0393 C3H6NO2+ 1 88.0393 0
+  91.0543 C7H7+ 1 91.0542 0.36
+  95.0603 C5H7N2+ 1 95.0604 -0.86
+  97.076 C5H9N2+ 1 97.076 -0.05
+  98.0599 C5H8NO+ 1 98.06 -1.15
+  99.0806 C6H11O+ 1 99.0804 1.3
+  101.0713 C4H9N2O+ 1 101.0709 3.21
+  105.0699 C8H9+ 1 105.0699 0.64
+  112.0869 C5H10N3+ 1 112.0869 -0.33
+  113.0709 C5H9N2O+ 1 113.0709 -0.2
+  114.0549 C5H8NO2+ 1 114.055 -0.8
+  114.1026 C5H12N3+ 1 114.1026 0.23
+  115.0865 C5H11N2O+ 1 115.0866 -0.58
+  120.0808 C8H10N+ 1 120.0808 -0.11
+  125.0704 C6H9N2O+ 1 125.0709 -4.12
+  132.0811 C9H10N+ 1 132.0808 2.1
+  134.0964 C9H12N+ 1 134.0964 -0.49
+  135.1 C4H13N3O2+ 1 135.1002 -1.9
+  136.0391 C7H6NO2+ 1 136.0393 -1.41
+  138.0661 C6H8N3O+ 1 138.0662 -0.68
+  140.0818 C6H10N3O+ 1 140.0818 -0.48
+  141.0659 C6H9N2O2+ 1 141.0659 0.43
+  141.102 C7H13N2O+ 1 141.1022 -1.9
+  146.0966 C10H12N+ 1 146.0964 1.02
+  149.0709 C8H9N2O+ 1 149.0709 -0.25
+  153.0659 C7H9N2O2+ 1 153.0659 0.23
+  157.1084 C6H13N4O+ 1 157.1084 -0.19
+  158.0964 C11H12N+ 1 158.0964 0.1
+  162.0903 C8H10N4+ 1 162.09 1.64
+  166.0972 C8H12N3O+ 1 166.0975 -1.61
+  170.0962 C12H12N+ 1 170.0964 -1.07
+  178.0972 C9H12N3O+ 1 178.0975 -1.51
+  179.1289 C9H15N4+ 1 179.1291 -1.18
+  180.1132 C9H14N3O+ 1 180.1131 0.14
+  187.1229 C12H15N2+ 1 187.123 -0.35
+  195.1237 C9H15N4O+ 3 195.124 -1.98
+  197.1036 C8H13N4O2+ 1 197.1033 1.43
+  198.0895 C11H10N4+ 2 198.09 -2.28
+  199.0712 C8H11N2O4+ 1 199.0713 -0.49
+  208.1084 C10H14N3O2+ 2 208.1081 1.84
+  214.1076 C10H16NO4+ 1 214.1074 0.92
+  215.1178 C13H15N2O+ 2 215.1179 -0.25
+  223.1191 C10H15N4O2+ 1 223.119 0.53
+  225.1337 C9H21O6+ 3 225.1333 2.02
+  233.1641 C12H19N5+ 2 233.1635 2.64
+  239.1181 C15H15N2O+ 4 239.1179 0.76
+  241.1296 C10H17N4O3+ 1 241.1295 0.49
+  243.1126 C14H15N2O2+ 3 243.1128 -0.76
+  279.1706 CH25N7O9+ 2 279.1708 -0.77
+  292.1343 C5H20N6O8+ 4 292.1337 2.1
+  296.1612 H24N8O10+ 5 296.161 0.87
+  297.1439 C12H19N5O4+ 4 297.1432 2.56
+  331.1799 C20H21N5+ 7 331.1791 2.2
+PK$NUM_PEAK: 64
+PK$PEAK: m/z int. rel.int.
+  56.0495 91596.6 33
+  60.0555 45016.9 16
+  68.0495 295889.1 109
+  69.0336 35449.5 13
+  70.0651 1991280.4 734
+  71.0856 29110.5 10
+  72.0808 239299.8 88
+  74.06 181193 66
+  84.0445 127267.1 46
+  85.0758 45368.8 16
+  86.0601 38199.9 14
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+  223.1191 366197.7 135
+  225.1337 42813.6 15
+  233.1641 51092.2 18
+  239.1181 50802.9 18
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+  243.1126 179460.1 66
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+  296.1612 40462.1 14
+  297.1439 58051.9 21
+  331.1799 139629.1 51
+//
diff --git a/Eawag/MSBNK-EAWAG-EC055107.txt b/Eawag/MSBNK-EAWAG-EC055107.txt
new file mode 100644
index 0000000000..e566559a36
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC055107.txt
@@ -0,0 +1,182 @@
+ACCESSION: MSBNK-EAWAG-EC055107
+RECORD_TITLE: Cyanopeptolin CP990; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md21100508
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 551
+CH$NAME: Cyanopeptolin CP990
+CH$NAME: 4-((2,5-dibenzyl-15-(3-guanidinopropyl)-21-hydroxy-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-hexanamido-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C49H70N10O12
+CH$EXACT_MASS: 990.5174677
+CH$SMILES: O=C(NC(C(NC(C(NC(CCCNC(N)=N)C(NC1C(N(C(C(N(C(C(NC2C(C)C)=O)CC3=CC=CC=C3)C)=O)CC4=CC=CC=C4)C(O)CC1)=O)=O)=O)C(OC2=O)C)=O)CC(O)=O)CCCCC
+CH$IUPAC: InChI=1S/C49H70N10O12/c1-6-7-10-21-37(60)53-34(27-39(62)63)43(65)57-41-29(4)71-48(70)40(28(2)3)56-44(66)35(25-30-16-11-8-12-17-30)58(5)47(69)36(26-31-18-13-9-14-19-31)59-38(61)23-22-33(46(59)68)55-42(64)32(54-45(41)67)20-15-24-52-49(50)51/h8-9,11-14,16-19,28-29,32-36,38,40-41,61H,6-7,10,15,20-27H2,1-5H3,(H,53,60)(H,54,67)(H,55,64)(H,56,66)(H,57,65)(H,62,63)(H4,50,51,52)
+CH$LINK: PUBCHEM CID:146682046
+CH$LINK: INCHIKEY HFRWIDDUABJXBW-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1032
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.626 min
+MS$FOCUSED_ION: BASE_PEAK 991.5243
+MS$FOCUSED_ION: PRECURSOR_M/Z 991.5247
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-00e9-6900000000-706192361f167ca07d56
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  55.0541 C4H7+ 1 55.0542 -2.26
+  56.0495 C3H6N+ 1 56.0495 0.14
+  60.0557 CH6N3+ 1 60.0556 0.57
+  68.0495 C4H6N+ 1 68.0495 -0.01
+  69.0335 C4H5O+ 1 69.0335 0.47
+  70.0651 C4H8N+ 1 70.0651 -0.08
+  71.0492 C4H7O+ 1 71.0491 0.5
+  71.0857 C5H11+ 1 71.0855 1.89
+  72.0807 C4H10N+ 1 72.0808 -0.78
+  74.0601 C3H8NO+ 1 74.06 0.43
+  80.0495 C5H6N+ 1 80.0495 0.1
+  84.0444 C4H6NO+ 1 84.0444 0.43
+  85.0758 C4H9N2+ 1 85.076 -2.53
+  86.06 C4H8NO+ 1 86.06 -0.76
+  88.0393 C3H6NO2+ 1 88.0393 0.09
+  91.0542 C7H7+ 1 91.0542 0.02
+  95.0604 C5H7N2+ 1 95.0604 0.42
+  97.0759 C5H9N2+ 1 97.076 -1.23
+  98.06 C5H8NO+ 1 98.06 0.01
+  99.0806 C6H11O+ 1 99.0804 1.84
+  101.071 C4H9N2O+ 1 101.0709 1.02
+  105.0335 C7H5O+ 1 105.0335 -0.08
+  105.0699 C8H9+ 1 105.0699 0.64
+  111.0553 C5H7N2O+ 1 111.0553 -0.15
+  112.0399 C5H6NO2+ 1 112.0393 4.89
+  112.0869 C5H10N3+ 1 112.0869 -0.26
+  113.0709 C5H9N2O+ 1 113.0709 -0.2
+  114.0549 C5H8NO2+ 1 114.055 -0.87
+  114.1023 C5H12N3+ 1 114.1026 -2.31
+  115.0865 C5H11N2O+ 1 115.0866 -0.44
+  119.0728 C8H9N+ 1 119.073 -1.64
+  120.0807 C8H10N+ 1 120.0808 -0.3
+  125.0708 C6H9N2O+ 1 125.0709 -1.07
+  129.0659 C5H9N2O2+ 1 129.0659 0.74
+  131.049 C9H7O+ 1 131.0491 -1.31
+  132.0807 C9H10N+ 1 132.0808 -0.91
+  134.0963 C9H12N+ 1 134.0964 -0.83
+  136.0392 C7H6NO2+ 1 136.0393 -0.51
+  138.0544 C7H8NO2+ 1 138.055 -3.76
+  138.066 C6H8N3O+ 1 138.0662 -1.12
+  138.0912 C8H12NO+ 1 138.0913 -0.72
+  140.0819 C6H10N3O+ 1 140.0818 0.39
+  141.0656 C6H9N2O2+ 1 141.0659 -1.73
+  141.1017 C7H13N2O+ 1 141.1022 -3.63
+  146.0965 C10H12N+ 1 146.0964 0.4
+  149.0707 C8H9N2O+ 1 149.0709 -1.79
+  150.1027 C8H12N3+ 1 150.1026 0.56
+  153.0659 C7H9N2O2+ 1 153.0659 0.13
+  153.1012 C6H11N5+ 1 153.1009 2.27
+  157.1079 C6H13N4O+ 1 157.1084 -2.91
+  158.0962 C11H12N+ 1 158.0964 -1.25
+  162.0895 C8H10N4+ 2 162.09 -3.35
+  166.0973 C8H12N3O+ 1 166.0975 -1.43
+  168.0804 C12H10N+ 1 168.0808 -2.2
+  170.0962 C12H12N+ 1 170.0964 -1.25
+  178.0975 C9H12N3O+ 1 178.0975 0.29
+  179.129 C9H15N4+ 1 179.1291 -0.41
+  180.1129 C9H14N3O+ 1 180.1131 -1.3
+  182.0926 C8H12N3O2+ 1 182.0924 1.14
+  187.1229 C12H15N2+ 1 187.123 -0.51
+  195.1242 C9H15N4O+ 1 195.124 0.83
+  197.1036 C8H13N4O2+ 1 197.1033 1.74
+  199.0712 C8H11N2O4+ 1 199.0713 -0.65
+  208.1078 C10H14N3O2+ 1 208.1081 -1.1
+  214.107 C10H16NO4+ 2 214.1074 -1.58
+  215.1174 C13H15N2O+ 3 215.1179 -2.1
+  216.0985 C8H14N3O4+ 3 216.0979 2.87
+  223.1196 C10H15N4O2+ 2 223.119 2.72
+  239.1181 C15H15N2O+ 4 239.1179 1.02
+  251.1128 C11H15N4O3+ 3 251.1139 -4.25
+PK$NUM_PEAK: 70
+PK$PEAK: m/z int. rel.int.
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+  180.1129 73108.8 21
+  182.0926 72694.9 21
+  187.1229 152711.4 45
+  195.1242 75919.9 22
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+  216.0985 90646.8 26
+  223.1196 195304 57
+  239.1181 52482.3 15
+  251.1128 68780.3 20
+//
diff --git a/Eawag/MSBNK-EAWAG-EC055108.txt b/Eawag/MSBNK-EAWAG-EC055108.txt
new file mode 100644
index 0000000000..e0631a0ced
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC055108.txt
@@ -0,0 +1,162 @@
+ACCESSION: MSBNK-EAWAG-EC055108
+RECORD_TITLE: Cyanopeptolin CP990; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md21100508
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 551
+CH$NAME: Cyanopeptolin CP990
+CH$NAME: 4-((2,5-dibenzyl-15-(3-guanidinopropyl)-21-hydroxy-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-hexanamido-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C49H70N10O12
+CH$EXACT_MASS: 990.5174677
+CH$SMILES: O=C(NC(C(NC(C(NC(CCCNC(N)=N)C(NC1C(N(C(C(N(C(C(NC2C(C)C)=O)CC3=CC=CC=C3)C)=O)CC4=CC=CC=C4)C(O)CC1)=O)=O)=O)C(OC2=O)C)=O)CC(O)=O)CCCCC
+CH$IUPAC: InChI=1S/C49H70N10O12/c1-6-7-10-21-37(60)53-34(27-39(62)63)43(65)57-41-29(4)71-48(70)40(28(2)3)56-44(66)35(25-30-16-11-8-12-17-30)58(5)47(69)36(26-31-18-13-9-14-19-31)59-38(61)23-22-33(46(59)68)55-42(64)32(54-45(41)67)20-15-24-52-49(50)51/h8-9,11-14,16-19,28-29,32-36,38,40-41,61H,6-7,10,15,20-27H2,1-5H3,(H,53,60)(H,54,67)(H,55,64)(H,56,66)(H,57,65)(H,62,63)(H4,50,51,52)
+CH$LINK: PUBCHEM CID:146682046
+CH$LINK: INCHIKEY HFRWIDDUABJXBW-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1032
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.626 min
+MS$FOCUSED_ION: BASE_PEAK 991.5243
+MS$FOCUSED_ION: PRECURSOR_M/Z 991.5247
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-00di-8900000000-e985694a3d89f3882026
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  55.0542 C4H7+ 1 55.0542 -0.11
+  56.0495 C3H6N+ 1 56.0495 -0.34
+  60.0557 CH6N3+ 1 60.0556 1.91
+  68.0495 C4H6N+ 1 68.0495 -0.13
+  69.0334 C4H5O+ 1 69.0335 -1.4
+  70.0651 C4H8N+ 1 70.0651 -0.41
+  71.049 C4H7O+ 1 71.0491 -1.54
+  71.0857 C5H11+ 1 71.0855 1.99
+  72.0807 C4H10N+ 1 72.0808 -0.57
+  74.0601 C3H8NO+ 1 74.06 0.53
+  80.0495 C5H6N+ 1 80.0495 0.67
+  82.0652 C5H8N+ 1 82.0651 0.72
+  83.0603 C4H7N2+ 1 83.0604 -1.19
+  84.0444 C4H6NO+ 1 84.0444 -0.21
+  85.076 C4H9N2+ 1 85.076 -0.2
+  86.06 C4H8NO+ 1 86.06 0.04
+  88.0393 C3H6NO2+ 1 88.0393 -0.6
+  91.0542 C7H7+ 1 91.0542 -0.31
+  95.0603 C5H7N2+ 1 95.0604 -0.94
+  96.0441 C5H6NO+ 1 96.0444 -2.78
+  97.076 C5H9N2+ 1 97.076 -0.21
+  98.06 C5H8NO+ 1 98.06 -0.69
+  99.0805 C6H11O+ 1 99.0804 0.45
+  105.0334 C7H5O+ 1 105.0335 -0.95
+  105.0698 C8H9+ 1 105.0699 -0.6
+  110.0601 C6H8NO+ 1 110.06 1
+  111.0552 C5H7N2O+ 1 111.0553 -0.42
+  112.0394 C5H6NO2+ 1 112.0393 0.8
+  112.0869 C5H10N3+ 1 112.0869 -0.33
+  113.0711 C5H9N2O+ 1 113.0709 1.09
+  114.0549 C5H8NO2+ 1 114.055 -0.27
+  115.0865 C5H11N2O+ 1 115.0866 -0.71
+  118.065 C8H8N+ 1 118.0651 -1.39
+  119.0727 C8H9N+ 1 119.073 -1.96
+  120.0807 C8H10N+ 1 120.0808 -0.68
+  125.071 C6H9N2O+ 1 125.0709 0.64
+  129.0659 C5H9N2O2+ 1 129.0659 0.62
+  131.049 C9H7O+ 1 131.0491 -1.31
+  134.0963 C9H12N+ 1 134.0964 -1.06
+  136.0393 C7H6NO2+ 1 136.0393 0.16
+  137.071 C7H9N2O+ 1 137.0709 0.43
+  138.0544 C7H8NO2+ 1 138.055 -4.09
+  138.0662 C6H8N3O+ 1 138.0662 0.2
+  140.0815 C6H10N3O+ 1 140.0818 -2.33
+  141.1017 C7H13N2O+ 1 141.1022 -4.07
+  146.0963 C10H12N+ 1 146.0964 -0.65
+  149.0707 C8H9N2O+ 1 149.0709 -1.68
+  150.1024 C8H12N3+ 1 150.1026 -1.17
+  153.0661 C7H9N2O2+ 1 153.0659 1.92
+  153.1015 C6H11N5+ 2 153.1009 4.16
+  158.0962 C11H12N+ 1 158.0964 -1.35
+  160.0753 C10H10NO+ 1 160.0757 -2.19
+  168.0807 C12H10N+ 1 168.0808 -0.66
+  170.0963 C12H12N+ 1 170.0964 -0.89
+  178.0974 C9H12N3O+ 1 178.0975 -0.57
+  180.1135 C9H14N3O+ 1 180.1131 2.09
+  181.0971 C9H13N2O2+ 1 181.0972 -0.4
+  197.1038 C8H13N4O2+ 2 197.1033 2.52
+  199.0711 C8H11N2O4+ 1 199.0713 -1.03
+  215.1179 C13H15N2O+ 2 215.1179 0.03
+PK$NUM_PEAK: 60
+PK$PEAK: m/z int. rel.int.
+  55.0542 62050 16
+  56.0495 288998.7 77
+  60.0557 50404.7 13
+  68.0495 850904.3 228
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+  119.0727 217822 58
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+  140.0815 57493.5 15
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+  149.0707 323629.5 86
+  150.1024 105398.9 28
+  153.0661 204089.5 54
+  153.1015 101555 27
+  158.0962 247631.3 66
+  160.0753 82957.7 22
+  168.0807 112362.4 30
+  170.0963 621575.6 166
+  178.0974 76407.1 20
+  180.1135 62169.1 16
+  181.0971 74669.4 20
+  197.1038 47873.4 12
+  199.0711 57069.7 15
+  215.1179 70570.1 18
+//
diff --git a/Eawag/MSBNK-EAWAG-EC055109.txt b/Eawag/MSBNK-EAWAG-EC055109.txt
new file mode 100644
index 0000000000..ef964c5e85
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC055109.txt
@@ -0,0 +1,144 @@
+ACCESSION: MSBNK-EAWAG-EC055109
+RECORD_TITLE: Cyanopeptolin CP990; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md21100508
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 551
+CH$NAME: Cyanopeptolin CP990
+CH$NAME: 4-((2,5-dibenzyl-15-(3-guanidinopropyl)-21-hydroxy-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-hexanamido-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C49H70N10O12
+CH$EXACT_MASS: 990.5174677
+CH$SMILES: O=C(NC(C(NC(C(NC(CCCNC(N)=N)C(NC1C(N(C(C(N(C(C(NC2C(C)C)=O)CC3=CC=CC=C3)C)=O)CC4=CC=CC=C4)C(O)CC1)=O)=O)=O)C(OC2=O)C)=O)CC(O)=O)CCCCC
+CH$IUPAC: InChI=1S/C49H70N10O12/c1-6-7-10-21-37(60)53-34(27-39(62)63)43(65)57-41-29(4)71-48(70)40(28(2)3)56-44(66)35(25-30-16-11-8-12-17-30)58(5)47(69)36(26-31-18-13-9-14-19-31)59-38(61)23-22-33(46(59)68)55-42(64)32(54-45(41)67)20-15-24-52-49(50)51/h8-9,11-14,16-19,28-29,32-36,38,40-41,61H,6-7,10,15,20-27H2,1-5H3,(H,53,60)(H,54,67)(H,55,64)(H,56,66)(H,57,65)(H,62,63)(H4,50,51,52)
+CH$LINK: PUBCHEM CID:146682046
+CH$LINK: INCHIKEY HFRWIDDUABJXBW-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1032
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.626 min
+MS$FOCUSED_ION: BASE_PEAK 991.5243
+MS$FOCUSED_ION: PRECURSOR_M/Z 991.5247
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-00di-9600000000-76320f53d864e813bbbb
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  55.0542 C4H7+ 1 55.0542 -0.94
+  56.0495 C3H6N+ 1 56.0495 -0.07
+  58.0652 C3H8N+ 1 58.0651 1.43
+  60.0557 CH6N3+ 1 60.0556 0.64
+  68.0495 C4H6N+ 1 68.0495 -0.24
+  69.0334 C4H5O+ 1 69.0335 -1.18
+  70.0651 C4H8N+ 1 70.0651 -0.3
+  71.0491 C4H7O+ 1 71.0491 -0.14
+  71.0855 C5H11+ 1 71.0855 0.17
+  72.0807 C4H10N+ 1 72.0808 -0.57
+  74.0601 C3H8NO+ 1 74.06 0.53
+  80.0494 C5H6N+ 1 80.0495 -0.95
+  82.0651 C5H8N+ 1 82.0651 -0.3
+  83.0605 C4H7N2+ 1 83.0604 1.2
+  84.0444 C4H6NO+ 1 84.0444 -0.12
+  85.076 C4H9N2+ 1 85.076 0.25
+  88.0393 C3H6NO2+ 1 88.0393 -0.17
+  91.0542 C7H7+ 1 91.0542 -0.23
+  95.0604 C5H7N2+ 1 95.0604 0.26
+  96.0443 C5H6NO+ 1 96.0444 -1.19
+  97.0759 C5H9N2+ 1 97.076 -1.31
+  98.06 C5H8NO+ 1 98.06 -0.38
+  101.071 C4H9N2O+ 1 101.0709 0.94
+  103.0543 C8H7+ 1 103.0542 0.3
+  105.0698 C8H9+ 1 105.0699 -0.31
+  110.06 C6H8NO+ 1 110.06 -0.25
+  111.0553 C5H7N2O+ 1 111.0553 0.47
+  111.0918 C6H11N2+ 1 111.0917 1.22
+  112.0394 C5H6NO2+ 1 112.0393 0.66
+  112.0868 C5H10N3+ 1 112.0869 -1.21
+  113.0709 C5H9N2O+ 1 113.0709 -0.74
+  114.0546 C5H8NO2+ 1 114.055 -3.35
+  115.0864 C5H11N2O+ 1 115.0866 -1.57
+  118.0648 C8H8N+ 1 118.0651 -3.01
+  119.0729 C8H9N+ 1 119.073 -0.81
+  120.0807 C8H10N+ 1 120.0808 -0.68
+  125.0709 C6H9N2O+ 1 125.0709 -0.33
+  132.0809 C9H10N+ 1 132.0808 1.17
+  134.0963 C9H12N+ 1 134.0964 -1.17
+  136.039 C7H6NO2+ 1 136.0393 -2.19
+  137.0708 C7H9N2O+ 1 137.0709 -0.91
+  138.0661 C6H8N3O+ 1 138.0662 -0.46
+  141.0663 C6H9N2O2+ 1 141.0659 3.03
+  141.102 C7H13N2O+ 1 141.1022 -1.9
+  149.0707 C8H9N2O+ 1 149.0709 -1.58
+  150.1024 C8H12N3+ 1 150.1026 -1.47
+  153.1017 C8H13N2O+ 1 153.1022 -3.61
+  158.0958 C11H12N+ 1 158.0964 -3.67
+  160.0754 C10H10NO+ 1 160.0757 -1.53
+  168.0809 C12H10N+ 1 168.0808 0.7
+  170.0962 C12H12N+ 1 170.0964 -1.34
+PK$NUM_PEAK: 51
+PK$PEAK: m/z int. rel.int.
+  55.0542 87569.3 22
+  56.0495 362794.9 92
+  58.0652 40835.8 10
+  60.0557 55885.6 14
+  68.0495 1011097.2 257
+  69.0334 123474 31
+  70.0651 3929932 999
+  71.0491 101695.7 25
+  71.0855 123525.4 31
+  72.0807 337290.8 85
+  74.0601 312188.3 79
+  80.0494 115034.5 29
+  82.0651 113908.8 28
+  83.0605 91513.4 23
+  84.0444 305193.3 77
+  85.076 152044 38
+  88.0393 955989.6 243
+  91.0542 1155814.5 293
+  95.0604 438357.5 111
+  96.0443 123561.5 31
+  97.0759 152567.7 38
+  98.06 133932.7 34
+  101.071 65710.5 16
+  103.0543 220102.1 55
+  105.0698 268423.1 68
+  110.06 123188.9 31
+  111.0553 223111.7 56
+  111.0918 44043.5 11
+  112.0394 43209.7 10
+  112.0868 415110.7 105
+  113.0709 141911.1 36
+  114.0546 100225 25
+  115.0864 216567.9 55
+  118.0648 103555.8 26
+  119.0729 481012.9 122
+  120.0807 1024129.7 260
+  125.0709 195752.7 49
+  132.0809 43626.2 11
+  134.0963 2242774.2 570
+  136.039 111292.8 28
+  137.0708 45435 11
+  138.0661 146332 37
+  141.0663 82938.1 21
+  141.102 53078.4 13
+  149.0707 329473.6 83
+  150.1024 97699.7 24
+  153.1017 78031.9 19
+  158.0958 108215.9 27
+  160.0754 55023.4 13
+  168.0809 168214 42
+  170.0962 509436.2 129
+//
diff --git a/Eawag/MSBNK-EAWAG-EC055151.txt b/Eawag/MSBNK-EAWAG-EC055151.txt
new file mode 100644
index 0000000000..a5a0eb8f51
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC055151.txt
@@ -0,0 +1,52 @@
+ACCESSION: MSBNK-EAWAG-EC055151
+RECORD_TITLE: Cyanopeptolin CP990; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M-H]-; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md21100508
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 551
+CH$NAME: Cyanopeptolin CP990
+CH$NAME: 4-((2,5-dibenzyl-15-(3-guanidinopropyl)-21-hydroxy-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-hexanamido-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C49H70N10O12
+CH$EXACT_MASS: 990.5174677
+CH$SMILES: O=C(NC(C(NC(C(NC(CCCNC(N)=N)C(NC1C(N(C(C(N(C(C(NC2C(C)C)=O)CC3=CC=CC=C3)C)=O)CC4=CC=CC=C4)C(O)CC1)=O)=O)=O)C(OC2=O)C)=O)CC(O)=O)CCCCC
+CH$IUPAC: InChI=1S/C49H70N10O12/c1-6-7-10-21-37(60)53-34(27-39(62)63)43(65)57-41-29(4)71-48(70)40(28(2)3)56-44(66)35(25-30-16-11-8-12-17-30)58(5)47(69)36(26-31-18-13-9-14-19-31)59-38(61)23-22-33(46(59)68)55-42(64)32(54-45(41)67)20-15-24-52-49(50)51/h8-9,11-14,16-19,28-29,32-36,38,40-41,61H,6-7,10,15,20-27H2,1-5H3,(H,53,60)(H,54,67)(H,55,64)(H,56,66)(H,57,65)(H,62,63)(H4,50,51,52)
+CH$LINK: PUBCHEM CID:146682046
+CH$LINK: INCHIKEY HFRWIDDUABJXBW-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1030
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.639 min
+MS$FOCUSED_ION: BASE_PEAK 187.1333
+MS$FOCUSED_ION: PRECURSOR_M/Z 989.5102
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-000i-0000000009-48eaaa2ed74a345b07d6
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  698.3631 C49H48NO3- 12 698.364 -1.18
+  742.3879 C37H54N6O10- 9 742.3907 -3.76
+  856.3998 C43H54N9O10- 5 856.3999 -0.11
+  971.4992 C49H67N10O11- 1 971.4996 -0.4
+  989.5109 C49H69N10O12- 1 989.5102 0.76
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  698.3631 60053 40
+  742.3879 71511.5 48
+  856.3998 62624.9 42
+  971.4992 121313.1 82
+  989.5109 1469152.1 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC055152.txt b/Eawag/MSBNK-EAWAG-EC055152.txt
new file mode 100644
index 0000000000..d058d436ef
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC055152.txt
@@ -0,0 +1,56 @@
+ACCESSION: MSBNK-EAWAG-EC055152
+RECORD_TITLE: Cyanopeptolin CP990; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M-H]-; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md21100508
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 551
+CH$NAME: Cyanopeptolin CP990
+CH$NAME: 4-((2,5-dibenzyl-15-(3-guanidinopropyl)-21-hydroxy-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-hexanamido-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C49H70N10O12
+CH$EXACT_MASS: 990.5174677
+CH$SMILES: O=C(NC(C(NC(C(NC(CCCNC(N)=N)C(NC1C(N(C(C(N(C(C(NC2C(C)C)=O)CC3=CC=CC=C3)C)=O)CC4=CC=CC=C4)C(O)CC1)=O)=O)=O)C(OC2=O)C)=O)CC(O)=O)CCCCC
+CH$IUPAC: InChI=1S/C49H70N10O12/c1-6-7-10-21-37(60)53-34(27-39(62)63)43(65)57-41-29(4)71-48(70)40(28(2)3)56-44(66)35(25-30-16-11-8-12-17-30)58(5)47(69)36(26-31-18-13-9-14-19-31)59-38(61)23-22-33(46(59)68)55-42(64)32(54-45(41)67)20-15-24-52-49(50)51/h8-9,11-14,16-19,28-29,32-36,38,40-41,61H,6-7,10,15,20-27H2,1-5H3,(H,53,60)(H,54,67)(H,55,64)(H,56,66)(H,57,65)(H,62,63)(H4,50,51,52)
+CH$LINK: PUBCHEM CID:146682046
+CH$LINK: INCHIKEY HFRWIDDUABJXBW-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1030
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.639 min
+MS$FOCUSED_ION: BASE_PEAK 187.1333
+MS$FOCUSED_ION: PRECURSOR_M/Z 989.5102
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0080-0000041019-0b347a35d9d2ae37acbe
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  565.2526 C41H31N3- 7 565.2523 0.4
+  583.2637 C28H41NO12- 9 583.2634 0.53
+  698.3616 C49H48NO3- 11 698.364 -3.37
+  776.4085 C39H54N9O8- 6 776.4101 -2.06
+  856.3998 C43H54N9O10- 5 856.3999 -0.11
+  971.4995 C49H67N10O11- 1 971.4996 -0.15
+  989.511 C49H69N10O12- 1 989.5102 0.82
+PK$NUM_PEAK: 7
+PK$PEAK: m/z int. rel.int.
+  565.2526 122113.2 161
+  583.2637 424487.8 560
+  698.3616 153414.5 202
+  776.4085 65020.1 85
+  856.3998 212214.9 280
+  971.4995 439595.4 580
+  989.511 756025.7 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC055153.txt b/Eawag/MSBNK-EAWAG-EC055153.txt
new file mode 100644
index 0000000000..65cee9db9c
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC055153.txt
@@ -0,0 +1,56 @@
+ACCESSION: MSBNK-EAWAG-EC055153
+RECORD_TITLE: Cyanopeptolin CP990; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M-H]-; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md21100508
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 551
+CH$NAME: Cyanopeptolin CP990
+CH$NAME: 4-((2,5-dibenzyl-15-(3-guanidinopropyl)-21-hydroxy-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-hexanamido-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C49H70N10O12
+CH$EXACT_MASS: 990.5174677
+CH$SMILES: O=C(NC(C(NC(C(NC(CCCNC(N)=N)C(NC1C(N(C(C(N(C(C(NC2C(C)C)=O)CC3=CC=CC=C3)C)=O)CC4=CC=CC=C4)C(O)CC1)=O)=O)=O)C(OC2=O)C)=O)CC(O)=O)CCCCC
+CH$IUPAC: InChI=1S/C49H70N10O12/c1-6-7-10-21-37(60)53-34(27-39(62)63)43(65)57-41-29(4)71-48(70)40(28(2)3)56-44(66)35(25-30-16-11-8-12-17-30)58(5)47(69)36(26-31-18-13-9-14-19-31)59-38(61)23-22-33(46(59)68)55-42(64)32(54-45(41)67)20-15-24-52-49(50)51/h8-9,11-14,16-19,28-29,32-36,38,40-41,61H,6-7,10,15,20-27H2,1-5H3,(H,53,60)(H,54,67)(H,55,64)(H,56,66)(H,57,65)(H,62,63)(H4,50,51,52)
+CH$LINK: PUBCHEM CID:146682046
+CH$LINK: INCHIKEY HFRWIDDUABJXBW-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1030
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.639 min
+MS$FOCUSED_ION: BASE_PEAK 187.1333
+MS$FOCUSED_ION: PRECURSOR_M/Z 989.5102
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-05ai-0000090153-3c2d52bd1af6b748bdb7
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  379.1732 C16H23N6O5- 5 379.1735 -0.84
+  565.2526 C41H31N3- 7 565.2523 0.4
+  583.2634 C27H35N8O7- 10 583.2634 -0.08
+  693.3739 C37H51N5O8- 9 693.3743 -0.63
+  768.3831 C42H52N6O8- 8 768.3852 -2.78
+  856.3999 C43H54N9O10- 5 856.3999 0.03
+  971.5017 C49H67N10O11- 1 971.4996 2.17
+PK$NUM_PEAK: 7
+PK$PEAK: m/z int. rel.int.
+  379.1732 48899.8 61
+  565.2526 220771.7 278
+  583.2634 793143.5 999
+  693.3739 44631.6 56
+  768.3831 117643.9 148
+  856.3999 588667.1 741
+  971.5017 418476.8 527
+//
diff --git a/Eawag/MSBNK-EAWAG-EC055154.txt b/Eawag/MSBNK-EAWAG-EC055154.txt
new file mode 100644
index 0000000000..9b979ed5fb
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC055154.txt
@@ -0,0 +1,58 @@
+ACCESSION: MSBNK-EAWAG-EC055154
+RECORD_TITLE: Cyanopeptolin CP990; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M-H]-; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md21100508
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 551
+CH$NAME: Cyanopeptolin CP990
+CH$NAME: 4-((2,5-dibenzyl-15-(3-guanidinopropyl)-21-hydroxy-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-hexanamido-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C49H70N10O12
+CH$EXACT_MASS: 990.5174677
+CH$SMILES: O=C(NC(C(NC(C(NC(CCCNC(N)=N)C(NC1C(N(C(C(N(C(C(NC2C(C)C)=O)CC3=CC=CC=C3)C)=O)CC4=CC=CC=C4)C(O)CC1)=O)=O)=O)C(OC2=O)C)=O)CC(O)=O)CCCCC
+CH$IUPAC: InChI=1S/C49H70N10O12/c1-6-7-10-21-37(60)53-34(27-39(62)63)43(65)57-41-29(4)71-48(70)40(28(2)3)56-44(66)35(25-30-16-11-8-12-17-30)58(5)47(69)36(26-31-18-13-9-14-19-31)59-38(61)23-22-33(46(59)68)55-42(64)32(54-45(41)67)20-15-24-52-49(50)51/h8-9,11-14,16-19,28-29,32-36,38,40-41,61H,6-7,10,15,20-27H2,1-5H3,(H,53,60)(H,54,67)(H,55,64)(H,56,66)(H,57,65)(H,62,63)(H4,50,51,52)
+CH$LINK: PUBCHEM CID:146682046
+CH$LINK: INCHIKEY HFRWIDDUABJXBW-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1030
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.639 min
+MS$FOCUSED_ION: BASE_PEAK 187.1333
+MS$FOCUSED_ION: PRECURSOR_M/Z 989.5102
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0a59-0100080290-ba15429ad5234bb8efbf
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  135.0564 C7H7N2O- 1 135.0564 0.26
+  179.0452 C6H5N5O2- 1 179.0449 2.1
+  195.0885 C8H11N4O2- 1 195.0887 -1.2
+  251.1134 C9H13N7O2- 4 251.1136 -1.01
+  541.2428 C27H29N10O3- 8 541.243 -0.3
+  583.2633 C27H35N8O7- 10 583.2634 -0.19
+  776.4115 C41H56N6O9- 7 776.4114 0.14
+  856.3998 C43H54N9O10- 5 856.3999 -0.18
+PK$NUM_PEAK: 8
+PK$PEAK: m/z int. rel.int.
+  135.0564 16889.4 36
+  179.0452 55418.5 119
+  195.0885 15427 33
+  251.1134 48985.8 105
+  541.2428 70019 151
+  583.2633 387320.6 837
+  776.4115 107381.2 232
+  856.3998 461828.6 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC058401.txt b/Eawag/MSBNK-EAWAG-EC058401.txt
new file mode 100644
index 0000000000..b0c264d022
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC058401.txt
@@ -0,0 +1,45 @@
+ACCESSION: MSBNK-EAWAG-EC058401
+RECORD_TITLE: Cyanopeptolin 992; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 3
+COMMENT: CyanoMetDB_ID 584
+CH$NAME: Cyanopeptolin 992
+CH$NAME: (3R)-4-(((2S,5S,8S,11S,12S,15S,18S,21R)-2-benzyl-8-((S)-sec-butyl)-15-(3-((diaminomethylene)amino)propyl)-21-hydroxy-5-(4-hydroxybenzyl)-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-butyramido-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C48H68N10O13
+CH$EXACT_MASS: 992.4967322
+CH$SMILES: CCCC(N[C@@H](C(N[C@H]1[C@H](C)OC([C@H]([C@H](CC)C)NC([C@H](CC2=CC=C(O)C=C2)N(C)C([C@H](CC3=CC=CC=C3)N4[C@H](O)CC[C@H](NC([C@H](CCC/N=C(N)\N)NC1=O)=O)C4=O)=O)=O)=O)=O)CC(O)=O)=O
+CH$IUPAC: InChI=1S/C48H68N10O13/c1-6-12-36(60)52-33(25-38(62)63)42(65)56-40-27(4)71-47(70)39(26(3)7-2)55-43(66)34(23-29-16-18-30(59)19-17-29)57(5)46(69)35(24-28-13-9-8-10-14-28)58-37(61)21-20-32(45(58)68)54-41(64)31(53-44(40)67)15-11-22-51-48(49)50/h8-10,13-14,16-19,26-27,31-35,37,39-40,59,61H,6-7,11-12,15,20-25H2,1-5H3,(H,52,60)(H,53,67)(H,54,64)(H,55,66)(H,56,65)(H,62,63)(H4,49,50,51)/t26-,27-,31-,32-,33+,34-,35-,37+,39-,40-/m0/s1
+CH$LINK: PUBCHEM CID: 155802438
+CH$LINK: INCHIKEY YISRXUQQIVQAHS-ZCJMFZFASA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1034
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.963 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 993.504
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0006-0000000009-a860b511797b8c2a6095
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  110.3906 C5H50+ 1 110.3907 -1
+  993.5037 C48H69N10O13+ 1 993.504 -0.32
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  110.3906 28462.7 46
+  993.5037 615018.9 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC058402.txt b/Eawag/MSBNK-EAWAG-EC058402.txt
new file mode 100644
index 0000000000..73170e98f8
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC058402.txt
@@ -0,0 +1,43 @@
+ACCESSION: MSBNK-EAWAG-EC058402
+RECORD_TITLE: Cyanopeptolin 992; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 3
+COMMENT: CyanoMetDB_ID 584
+CH$NAME: Cyanopeptolin 992
+CH$NAME: (3R)-4-(((2S,5S,8S,11S,12S,15S,18S,21R)-2-benzyl-8-((S)-sec-butyl)-15-(3-((diaminomethylene)amino)propyl)-21-hydroxy-5-(4-hydroxybenzyl)-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-butyramido-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C48H68N10O13
+CH$EXACT_MASS: 992.4967322
+CH$SMILES: CCCC(N[C@@H](C(N[C@H]1[C@H](C)OC([C@H]([C@H](CC)C)NC([C@H](CC2=CC=C(O)C=C2)N(C)C([C@H](CC3=CC=CC=C3)N4[C@H](O)CC[C@H](NC([C@H](CCC/N=C(N)\N)NC1=O)=O)C4=O)=O)=O)=O)=O)CC(O)=O)=O
+CH$IUPAC: InChI=1S/C48H68N10O13/c1-6-12-36(60)52-33(25-38(62)63)42(65)56-40-27(4)71-47(70)39(26(3)7-2)55-43(66)34(23-29-16-18-30(59)19-17-29)57(5)46(69)35(24-28-13-9-8-10-14-28)58-37(61)21-20-32(45(58)68)54-41(64)31(53-44(40)67)15-11-22-51-48(49)50/h8-10,13-14,16-19,26-27,31-35,37,39-40,59,61H,6-7,11-12,15,20-25H2,1-5H3,(H,52,60)(H,53,67)(H,54,64)(H,55,66)(H,56,65)(H,62,63)(H4,49,50,51)/t26-,27-,31-,32-,33+,34-,35-,37+,39-,40-/m0/s1
+CH$LINK: PUBCHEM CID: 155802438
+CH$LINK: INCHIKEY YISRXUQQIVQAHS-ZCJMFZFASA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1034
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.963 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 993.504
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0006-0000000009-51966d37c0b9903a80b8
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  993.5031 C48H69N10O13+ 1 993.504 -0.87
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  993.5031 458497.9 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC058403.txt b/Eawag/MSBNK-EAWAG-EC058403.txt
new file mode 100644
index 0000000000..c73848125d
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC058403.txt
@@ -0,0 +1,43 @@
+ACCESSION: MSBNK-EAWAG-EC058403
+RECORD_TITLE: Cyanopeptolin 992; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 3
+COMMENT: CyanoMetDB_ID 584
+CH$NAME: Cyanopeptolin 992
+CH$NAME: (3R)-4-(((2S,5S,8S,11S,12S,15S,18S,21R)-2-benzyl-8-((S)-sec-butyl)-15-(3-((diaminomethylene)amino)propyl)-21-hydroxy-5-(4-hydroxybenzyl)-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-butyramido-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C48H68N10O13
+CH$EXACT_MASS: 992.4967322
+CH$SMILES: CCCC(N[C@@H](C(N[C@H]1[C@H](C)OC([C@H]([C@H](CC)C)NC([C@H](CC2=CC=C(O)C=C2)N(C)C([C@H](CC3=CC=CC=C3)N4[C@H](O)CC[C@H](NC([C@H](CCC/N=C(N)\N)NC1=O)=O)C4=O)=O)=O)=O)=O)CC(O)=O)=O
+CH$IUPAC: InChI=1S/C48H68N10O13/c1-6-12-36(60)52-33(25-38(62)63)42(65)56-40-27(4)71-47(70)39(26(3)7-2)55-43(66)34(23-29-16-18-30(59)19-17-29)57(5)46(69)35(24-28-13-9-8-10-14-28)58-37(61)21-20-32(45(58)68)54-41(64)31(53-44(40)67)15-11-22-51-48(49)50/h8-10,13-14,16-19,26-27,31-35,37,39-40,59,61H,6-7,11-12,15,20-25H2,1-5H3,(H,52,60)(H,53,67)(H,54,64)(H,55,66)(H,56,65)(H,62,63)(H4,49,50,51)/t26-,27-,31-,32-,33+,34-,35-,37+,39-,40-/m0/s1
+CH$LINK: PUBCHEM CID: 155802438 
+CH$LINK: INCHIKEY YISRXUQQIVQAHS-ZCJMFZFASA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1034
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.963 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 993.504
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0006-0000000009-431a9a6e15fe40264065
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  993.5019 C48H69N10O13+ 1 993.504 -2.1
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  993.5019 204705.4 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC058404.txt b/Eawag/MSBNK-EAWAG-EC058404.txt
new file mode 100644
index 0000000000..369a7587ac
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC058404.txt
@@ -0,0 +1,49 @@
+ACCESSION: MSBNK-EAWAG-EC058404
+RECORD_TITLE: Cyanopeptolin 992; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 3
+COMMENT: CyanoMetDB_ID 584
+CH$NAME: Cyanopeptolin 992
+CH$NAME: (3R)-4-(((2S,5S,8S,11S,12S,15S,18S,21R)-2-benzyl-8-((S)-sec-butyl)-15-(3-((diaminomethylene)amino)propyl)-21-hydroxy-5-(4-hydroxybenzyl)-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-butyramido-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C48H68N10O13
+CH$EXACT_MASS: 992.4967322
+CH$SMILES: CCCC(N[C@@H](C(N[C@H]1[C@H](C)OC([C@H]([C@H](CC)C)NC([C@H](CC2=CC=C(O)C=C2)N(C)C([C@H](CC3=CC=CC=C3)N4[C@H](O)CC[C@H](NC([C@H](CCC/N=C(N)\N)NC1=O)=O)C4=O)=O)=O)=O)=O)CC(O)=O)=O
+CH$IUPAC: InChI=1S/C48H68N10O13/c1-6-12-36(60)52-33(25-38(62)63)42(65)56-40-27(4)71-47(70)39(26(3)7-2)55-43(66)34(23-29-16-18-30(59)19-17-29)57(5)46(69)35(24-28-13-9-8-10-14-28)58-37(61)21-20-32(45(58)68)54-41(64)31(53-44(40)67)15-11-22-51-48(49)50/h8-10,13-14,16-19,26-27,31-35,37,39-40,59,61H,6-7,11-12,15,20-25H2,1-5H3,(H,52,60)(H,53,67)(H,54,64)(H,55,66)(H,56,65)(H,62,63)(H4,49,50,51)/t26-,27-,31-,32-,33+,34-,35-,37+,39-,40-/m0/s1
+CH$LINK: PUBCHEM CID: 155802438
+CH$LINK: INCHIKEY YISRXUQQIVQAHS-ZCJMFZFASA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1034
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.963 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 993.504
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0fk9-0630900000-181cdcb6effe282c4343
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  112.0869 C5H10N3+ 1 112.0869 -0.58
+  150.0911 C9H12NO+ 1 150.0913 -1.74
+  243.1126 C12H13N5O+ 4 243.1115 4.8
+  420.1911 C24H26N3O4+ 8 420.1918 -1.68
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  112.0869 7820.2 54
+  150.0911 100197 701
+  243.1126 51013 357
+  420.1911 142727.3 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC058405.txt b/Eawag/MSBNK-EAWAG-EC058405.txt
new file mode 100644
index 0000000000..0d97b4127d
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC058405.txt
@@ -0,0 +1,81 @@
+ACCESSION: MSBNK-EAWAG-EC058405
+RECORD_TITLE: Cyanopeptolin 992; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 3
+COMMENT: CyanoMetDB_ID 584
+CH$NAME: Cyanopeptolin 992
+CH$NAME: (3R)-4-(((2S,5S,8S,11S,12S,15S,18S,21R)-2-benzyl-8-((S)-sec-butyl)-15-(3-((diaminomethylene)amino)propyl)-21-hydroxy-5-(4-hydroxybenzyl)-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-butyramido-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C48H68N10O13
+CH$EXACT_MASS: 992.4967322
+CH$SMILES: CCCC(N[C@@H](C(N[C@H]1[C@H](C)OC([C@H]([C@H](CC)C)NC([C@H](CC2=CC=C(O)C=C2)N(C)C([C@H](CC3=CC=CC=C3)N4[C@H](O)CC[C@H](NC([C@H](CCC/N=C(N)\N)NC1=O)=O)C4=O)=O)=O)=O)=O)CC(O)=O)=O
+CH$IUPAC: InChI=1S/C48H68N10O13/c1-6-12-36(60)52-33(25-38(62)63)42(65)56-40-27(4)71-47(70)39(26(3)7-2)55-43(66)34(23-29-16-18-30(59)19-17-29)57(5)46(69)35(24-28-13-9-8-10-14-28)58-37(61)21-20-32(45(58)68)54-41(64)31(53-44(40)67)15-11-22-51-48(49)50/h8-10,13-14,16-19,26-27,31-35,37,39-40,59,61H,6-7,11-12,15,20-25H2,1-5H3,(H,52,60)(H,53,67)(H,54,64)(H,55,66)(H,56,65)(H,62,63)(H4,49,50,51)/t26-,27-,31-,32-,33+,34-,35-,37+,39-,40-/m0/s1
+CH$LINK: PUBCHEM CID: 155802438
+CH$LINK: INCHIKEY YISRXUQQIVQAHS-ZCJMFZFASA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1034
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.963 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 993.504
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0uk9-2950000000-26a05cef20dbc96b4189
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  70.0651 C4H8N+ 1 70.0651 -0.63
+  72.0807 C4H10N+ 1 72.0808 -1.1
+  84.0444 C4H6NO+ 1 84.0444 0.33
+  102.0549 C4H8NO2+ 1 102.055 -0.62
+  112.0868 C5H10N3+ 1 112.0869 -1.06
+  113.0705 C5H9N2O+ 1 113.0709 -3.95
+  120.0806 C8H10N+ 1 120.0808 -1.53
+  138.0662 C6H8N3O+ 1 138.0662 -0.07
+  150.0911 C9H12NO+ 1 150.0913 -1.64
+  157.1082 C6H13N4O+ 1 157.1084 -1.15
+  172.0964 C8H14NO3+ 1 172.0968 -2.3
+  187.1227 C12H15N2+ 1 187.123 -1.6
+  200.0911 C9H14NO4+ 2 200.0917 -3.11
+  215.1175 C13H15N2O+ 3 215.1179 -1.71
+  223.1184 C10H15N4O2+ 3 223.119 -2.57
+  241.1296 C10H17N4O3+ 1 241.1295 0.31
+  243.1115 C12H13N5O+ 1 243.1115 0.09
+  295.1652 C15H23N2O4+ 4 295.1652 -0.13
+  308.1274 C3H18N9O8+ 6 308.1273 0.26
+  420.1926 C24H26N3O4+ 6 420.1918 2.02
+PK$NUM_PEAK: 20
+PK$PEAK: m/z int. rel.int.
+  70.0651 143069.1 403
+  72.0807 13401.6 37
+  84.0444 30067.9 84
+  102.0549 26416.9 74
+  112.0868 90567.6 255
+  113.0705 53948.2 152
+  120.0806 70884.3 199
+  138.0662 32011.2 90
+  150.0911 354265.5 999
+  157.1082 12564.4 35
+  172.0964 19533.4 55
+  187.1227 40717.2 114
+  200.0911 64060 180
+  215.1175 131984.4 372
+  223.1184 78394.2 221
+  241.1296 45092.1 127
+  243.1115 104629.6 295
+  295.1652 36982.8 104
+  308.1274 68489 193
+  420.1926 37196.6 104
+//
diff --git a/Eawag/MSBNK-EAWAG-EC058406.txt b/Eawag/MSBNK-EAWAG-EC058406.txt
new file mode 100644
index 0000000000..61840a4993
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC058406.txt
@@ -0,0 +1,85 @@
+ACCESSION: MSBNK-EAWAG-EC058406
+RECORD_TITLE: Cyanopeptolin 992; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 3
+COMMENT: CyanoMetDB_ID 584
+CH$NAME: Cyanopeptolin 992
+CH$NAME: (3R)-4-(((2S,5S,8S,11S,12S,15S,18S,21R)-2-benzyl-8-((S)-sec-butyl)-15-(3-((diaminomethylene)amino)propyl)-21-hydroxy-5-(4-hydroxybenzyl)-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-butyramido-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C48H68N10O13
+CH$EXACT_MASS: 992.4967322
+CH$SMILES: CCCC(N[C@@H](C(N[C@H]1[C@H](C)OC([C@H]([C@H](CC)C)NC([C@H](CC2=CC=C(O)C=C2)N(C)C([C@H](CC3=CC=CC=C3)N4[C@H](O)CC[C@H](NC([C@H](CCC/N=C(N)\N)NC1=O)=O)C4=O)=O)=O)=O)=O)CC(O)=O)=O
+CH$IUPAC: InChI=1S/C48H68N10O13/c1-6-12-36(60)52-33(25-38(62)63)42(65)56-40-27(4)71-47(70)39(26(3)7-2)55-43(66)34(23-29-16-18-30(59)19-17-29)57(5)46(69)35(24-28-13-9-8-10-14-28)58-37(61)21-20-32(45(58)68)54-41(64)31(53-44(40)67)15-11-22-51-48(49)50/h8-10,13-14,16-19,26-27,31-35,37,39-40,59,61H,6-7,11-12,15,20-25H2,1-5H3,(H,52,60)(H,53,67)(H,54,64)(H,55,66)(H,56,65)(H,62,63)(H4,49,50,51)/t26-,27-,31-,32-,33+,34-,35-,37+,39-,40-/m0/s1
+CH$LINK: PUBCHEM CID: 155802438
+CH$LINK: INCHIKEY YISRXUQQIVQAHS-ZCJMFZFASA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1034
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.963 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 993.504
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0uk9-4900000000-d254aab0dda24df273a3
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  56.0494 C3H6N+ 1 56.0495 -0.57
+  68.0494 C4H6N+ 1 68.0495 -1.16
+  70.0651 C4H8N+ 1 70.0651 -0.84
+  72.0807 C4H10N+ 1 72.0808 -0.68
+  74.06 C3H8NO+ 1 74.06 0
+  84.0442 C4H6NO+ 1 84.0444 -1.94
+  95.0606 C5H7N2+ 1 95.0604 2.34
+  102.0549 C4H8NO2+ 1 102.055 -0.7
+  112.0867 C5H10N3+ 1 112.0869 -2.42
+  113.0709 C5H9N2O+ 1 113.0709 -0.31
+  115.0863 C5H11N2O+ 1 115.0866 -2.74
+  120.0805 C8H10N+ 1 120.0808 -2.23
+  121.0649 C8H9O+ 1 121.0648 0.8
+  138.066 C6H8N3O+ 1 138.0662 -1.4
+  140.0819 C6H10N3O+ 1 140.0818 0.25
+  150.091 C9H12NO+ 1 150.0913 -2.56
+  167.0808 C8H11N2O2+ 2 167.0815 -3.94
+  170.0958 C12H12N+ 1 170.0964 -3.83
+  172.0965 C8H14NO3+ 1 172.0968 -1.59
+  181.0962 C7H11N5O+ 1 181.0958 2.32
+  187.1229 C12H15N2+ 1 187.123 -0.46
+  215.1173 C13H15N2O+ 2 215.1179 -2.78
+PK$NUM_PEAK: 22
+PK$PEAK: m/z int. rel.int.
+  56.0494 12603 25
+  68.0494 43755.4 87
+  70.0651 384111.8 769
+  72.0807 38284.8 76
+  74.06 21171.5 42
+  84.0442 134054.7 268
+  95.0606 21635.7 43
+  102.0549 111754.1 223
+  112.0867 119279.4 238
+  113.0709 108780 217
+  115.0863 49157.5 98
+  120.0805 184070.4 368
+  121.0649 16487.3 33
+  138.066 36108.5 72
+  140.0819 14716.6 29
+  150.091 498714.2 999
+  167.0808 39589.6 79
+  170.0958 46124.7 92
+  172.0965 27593.3 55
+  181.0962 17247.3 34
+  187.1229 49065.3 98
+  215.1173 115322 231
+//
diff --git a/Eawag/MSBNK-EAWAG-EC058407.txt b/Eawag/MSBNK-EAWAG-EC058407.txt
new file mode 100644
index 0000000000..4fe49e3d4a
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC058407.txt
@@ -0,0 +1,99 @@
+ACCESSION: MSBNK-EAWAG-EC058407
+RECORD_TITLE: Cyanopeptolin 992; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 3
+COMMENT: CyanoMetDB_ID 584
+CH$NAME: Cyanopeptolin 992
+CH$NAME: (3R)-4-(((2S,5S,8S,11S,12S,15S,18S,21R)-2-benzyl-8-((S)-sec-butyl)-15-(3-((diaminomethylene)amino)propyl)-21-hydroxy-5-(4-hydroxybenzyl)-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-butyramido-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C48H68N10O13
+CH$EXACT_MASS: 992.4967322
+CH$SMILES: CCCC(N[C@@H](C(N[C@H]1[C@H](C)OC([C@H]([C@H](CC)C)NC([C@H](CC2=CC=C(O)C=C2)N(C)C([C@H](CC3=CC=CC=C3)N4[C@H](O)CC[C@H](NC([C@H](CCC/N=C(N)\N)NC1=O)=O)C4=O)=O)=O)=O)=O)CC(O)=O)=O
+CH$IUPAC: InChI=1S/C48H68N10O13/c1-6-12-36(60)52-33(25-38(62)63)42(65)56-40-27(4)71-47(70)39(26(3)7-2)55-43(66)34(23-29-16-18-30(59)19-17-29)57(5)46(69)35(24-28-13-9-8-10-14-28)58-37(61)21-20-32(45(58)68)54-41(64)31(53-44(40)67)15-11-22-51-48(49)50/h8-10,13-14,16-19,26-27,31-35,37,39-40,59,61H,6-7,11-12,15,20-25H2,1-5H3,(H,52,60)(H,53,67)(H,54,64)(H,55,66)(H,56,65)(H,62,63)(H4,49,50,51)/t26-,27-,31-,32-,33+,34-,35-,37+,39-,40-/m0/s1
+CH$LINK: PUBCHEM CID: 155802438
+CH$LINK: INCHIKEY YISRXUQQIVQAHS-ZCJMFZFASA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1034
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.963 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 993.504
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0fk9-6900000000-c47a633457410197496e
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  56.0494 C3H6N+ 1 56.0495 -2.07
+  68.0494 C4H6N+ 1 68.0495 -0.83
+  70.065 C4H8N+ 1 70.0651 -1.17
+  71.049 C4H7O+ 1 71.0491 -1.53
+  72.0806 C4H10N+ 1 72.0808 -2.16
+  74.0599 C3H8NO+ 1 74.06 -1.65
+  84.0443 C4H6NO+ 1 84.0444 -1.67
+  85.0761 C4H9N2+ 1 85.076 1.05
+  91.0541 C7H7+ 1 91.0542 -1.03
+  95.0603 C5H7N2+ 1 95.0604 -0.95
+  101.0709 C4H9N2O+ 1 101.0709 -0.24
+  102.0548 C4H8NO2+ 1 102.055 -1.44
+  107.0492 C7H7O+ 1 107.0491 0.46
+  112.0866 C5H10N3+ 1 112.0869 -2.83
+  113.0707 C5H9N2O+ 1 113.0709 -2.2
+  115.0865 C5H11N2O+ 1 115.0866 -0.75
+  120.0806 C8H10N+ 1 120.0808 -1.59
+  121.0648 C8H9O+ 1 121.0648 0.3
+  138.0659 C6H8N3O+ 1 138.0662 -1.73
+  146.0961 C10H12N+ 1 146.0964 -1.91
+  149.0706 C8H9N2O+ 1 149.0709 -1.96
+  150.0909 C9H12NO+ 1 150.0913 -2.86
+  153.1021 C8H13N2O+ 1 153.1022 -1.05
+  167.081 C8H11N2O2+ 1 167.0815 -2.85
+  170.0963 C12H12N+ 1 170.0964 -0.6
+  172.0963 C8H14NO3+ 1 172.0968 -2.75
+  200.0919 C9H14NO4+ 1 200.0917 0.7
+  215.1173 C13H15N2O+ 2 215.1179 -2.85
+  308.1272 C3H18N9O8+ 6 308.1273 -0.43
+PK$NUM_PEAK: 29
+PK$PEAK: m/z int. rel.int.
+  56.0494 43345 82
+  68.0494 99441.8 189
+  70.065 523938.6 999
+  71.049 17419.8 33
+  72.0806 40851.7 77
+  74.0599 46965.1 89
+  84.0443 219601.5 418
+  85.0761 22314.2 42
+  91.0541 51009.3 97
+  95.0603 42859 81
+  101.0709 16987.5 32
+  102.0548 218462.7 416
+  107.0492 35335.9 67
+  112.0866 123198.8 234
+  113.0707 65259.5 124
+  115.0865 69149.6 131
+  120.0806 223851.9 426
+  121.0648 36293.7 69
+  138.0659 32125.7 61
+  146.0961 31420.9 59
+  149.0706 36631.5 69
+  150.0909 454774.5 867
+  153.1021 17535.1 33
+  167.081 74432.1 141
+  170.0963 82875 158
+  172.0963 26180 49
+  200.0919 19259.1 36
+  215.1173 36021.3 68
+  308.1272 20197.2 38
+//
diff --git a/Eawag/MSBNK-EAWAG-EC058408.txt b/Eawag/MSBNK-EAWAG-EC058408.txt
new file mode 100644
index 0000000000..fbe3460ac3
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC058408.txt
@@ -0,0 +1,97 @@
+ACCESSION: MSBNK-EAWAG-EC058408
+RECORD_TITLE: Cyanopeptolin 992; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 3
+COMMENT: CyanoMetDB_ID 584
+CH$NAME: Cyanopeptolin 992
+CH$NAME: (3R)-4-(((2S,5S,8S,11S,12S,15S,18S,21R)-2-benzyl-8-((S)-sec-butyl)-15-(3-((diaminomethylene)amino)propyl)-21-hydroxy-5-(4-hydroxybenzyl)-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-butyramido-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C48H68N10O13
+CH$EXACT_MASS: 992.4967322
+CH$SMILES: CCCC(N[C@@H](C(N[C@H]1[C@H](C)OC([C@H]([C@H](CC)C)NC([C@H](CC2=CC=C(O)C=C2)N(C)C([C@H](CC3=CC=CC=C3)N4[C@H](O)CC[C@H](NC([C@H](CCC/N=C(N)\N)NC1=O)=O)C4=O)=O)=O)=O)=O)CC(O)=O)=O
+CH$IUPAC: InChI=1S/C48H68N10O13/c1-6-12-36(60)52-33(25-38(62)63)42(65)56-40-27(4)71-47(70)39(26(3)7-2)55-43(66)34(23-29-16-18-30(59)19-17-29)57(5)46(69)35(24-28-13-9-8-10-14-28)58-37(61)21-20-32(45(58)68)54-41(64)31(53-44(40)67)15-11-22-51-48(49)50/h8-10,13-14,16-19,26-27,31-35,37,39-40,59,61H,6-7,11-12,15,20-25H2,1-5H3,(H,52,60)(H,53,67)(H,54,64)(H,55,66)(H,56,65)(H,62,63)(H4,49,50,51)/t26-,27-,31-,32-,33+,34-,35-,37+,39-,40-/m0/s1
+CH$LINK: PUBCHEM CID: 155802438
+CH$LINK: INCHIKEY YISRXUQQIVQAHS-ZCJMFZFASA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1034
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.963 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 993.504
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0fk9-9800000000-b771221d560969978857
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  56.0494 C3H6N+ 1 56.0495 -1.53
+  68.0494 C4H6N+ 1 68.0495 -1.61
+  70.065 C4H8N+ 1 70.0651 -1.17
+  71.0491 C4H7O+ 1 71.0491 -0.24
+  72.0805 C4H10N+ 1 72.0808 -3.75
+  84.0443 C4H6NO+ 1 84.0444 -1.58
+  91.054 C7H7+ 1 91.0542 -2.37
+  95.0602 C5H7N2+ 1 95.0604 -1.43
+  97.076 C5H9N2+ 1 97.076 -0.4
+  98.0603 C5H8NO+ 1 98.06 3.1
+  102.0548 C4H8NO2+ 1 102.055 -1.89
+  107.0493 C7H7O+ 1 107.0491 1.1
+  112.0867 C5H10N3+ 1 112.0869 -2.42
+  113.0708 C5H9N2O+ 1 113.0709 -1.05
+  115.0867 C5H11N2O+ 1 115.0866 1.31
+  119.0491 C8H7O+ 1 119.0491 -0.53
+  120.0805 C8H10N+ 1 120.0808 -2.1
+  121.065 C8H9O+ 1 121.0648 1.69
+  135.068 C8H9NO+ 1 135.0679 0.82
+  138.0662 C6H8N3O+ 1 138.0662 0.37
+  146.0963 C10H12N+ 1 146.0964 -1.08
+  149.0707 C8H9N2O+ 1 149.0709 -1.75
+  150.055 C8H8NO2+ 1 150.055 0.55
+  150.0909 C9H12NO+ 1 150.0913 -3.07
+  158.096 C11H12N+ 1 158.0964 -2.71
+  167.0812 C8H11N2O2+ 1 167.0815 -1.57
+  170.0962 C12H12N+ 1 170.0964 -1.05
+  181.0963 C7H11N5O+ 2 181.0958 2.91
+PK$NUM_PEAK: 28
+PK$PEAK: m/z int. rel.int.
+  56.0494 56498.8 98
+  68.0494 125396.2 218
+  70.065 573267.8 999
+  71.0491 23409.3 40
+  72.0805 37026.2 64
+  84.0443 287359.5 500
+  91.054 86619.1 150
+  95.0602 54708.8 95
+  97.076 19734.5 34
+  98.0603 18804.6 32
+  102.0548 188009.2 327
+  107.0493 32136.4 56
+  112.0867 89387.9 155
+  113.0708 40201.2 70
+  115.0867 52969.3 92
+  119.0491 18146.9 31
+  120.0805 180167.3 313
+  121.065 37262.5 64
+  135.068 20470.9 35
+  138.0662 18702.2 32
+  146.0963 19802.6 34
+  149.0707 33838.8 58
+  150.055 23714.8 41
+  150.0909 312638.6 544
+  158.096 22359 38
+  167.0812 39903.6 69
+  170.0962 65186.1 113
+  181.0963 10703.3 18
+//
diff --git a/Eawag/MSBNK-EAWAG-EC058409.txt b/Eawag/MSBNK-EAWAG-EC058409.txt
new file mode 100644
index 0000000000..45f3de96f8
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC058409.txt
@@ -0,0 +1,89 @@
+ACCESSION: MSBNK-EAWAG-EC058409
+RECORD_TITLE: Cyanopeptolin 992; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 3
+COMMENT: CyanoMetDB_ID 584
+CH$NAME: Cyanopeptolin 992
+CH$NAME: (3R)-4-(((2S,5S,8S,11S,12S,15S,18S,21R)-2-benzyl-8-((S)-sec-butyl)-15-(3-((diaminomethylene)amino)propyl)-21-hydroxy-5-(4-hydroxybenzyl)-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-butyramido-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C48H68N10O13
+CH$EXACT_MASS: 992.4967322
+CH$SMILES: CCCC(N[C@@H](C(N[C@H]1[C@H](C)OC([C@H]([C@H](CC)C)NC([C@H](CC2=CC=C(O)C=C2)N(C)C([C@H](CC3=CC=CC=C3)N4[C@H](O)CC[C@H](NC([C@H](CCC/N=C(N)\N)NC1=O)=O)C4=O)=O)=O)=O)=O)CC(O)=O)=O
+CH$IUPAC: InChI=1S/C48H68N10O13/c1-6-12-36(60)52-33(25-38(62)63)42(65)56-40-27(4)71-47(70)39(26(3)7-2)55-43(66)34(23-29-16-18-30(59)19-17-29)57(5)46(69)35(24-28-13-9-8-10-14-28)58-37(61)21-20-32(45(58)68)54-41(64)31(53-44(40)67)15-11-22-51-48(49)50/h8-10,13-14,16-19,26-27,31-35,37,39-40,59,61H,6-7,11-12,15,20-25H2,1-5H3,(H,52,60)(H,53,67)(H,54,64)(H,55,66)(H,56,65)(H,62,63)(H4,49,50,51)/t26-,27-,31-,32-,33+,34-,35-,37+,39-,40-/m0/s1
+CH$LINK: PUBCHEM CID: 155802438
+CH$LINK: INCHIKEY YISRXUQQIVQAHS-ZCJMFZFASA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1034
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.963 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 993.504
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0fk9-9500000000-6f1f1fe2aba91a3853f1
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  56.0493 C3H6N+ 1 56.0495 -2.41
+  68.0494 C4H6N+ 1 68.0495 -1.61
+  70.065 C4H8N+ 1 70.0651 -1.39
+  72.0807 C4H10N+ 1 72.0808 -0.68
+  74.0601 C3H8NO+ 1 74.06 0.41
+  84.0443 C4H6NO+ 1 84.0444 -1.49
+  91.054 C7H7+ 1 91.0542 -2.04
+  95.0602 C5H7N2+ 1 95.0604 -1.43
+  97.0759 C5H9N2+ 1 97.076 -1.74
+  102.0549 C4H8NO2+ 1 102.055 -0.77
+  103.0541 C8H7+ 1 103.0542 -1.19
+  107.0489 C7H7O+ 1 107.0491 -2.04
+  112.0867 C5H10N3+ 1 112.0869 -2.42
+  113.0711 C5H9N2O+ 1 113.0709 1.44
+  115.0867 C5H11N2O+ 1 115.0866 0.84
+  120.0804 C8H10N+ 1 120.0808 -2.8
+  121.0648 C8H9O+ 1 121.0648 -0.14
+  122.06 C7H8NO+ 1 122.06 -0.61
+  135.0677 C8H9NO+ 1 135.0679 -0.88
+  138.0665 C6H8N3O+ 1 138.0662 2.36
+  149.071 C8H9N2O+ 1 149.0709 0.6
+  150.0549 C8H8NO2+ 1 150.055 -0.57
+  150.0909 C9H12NO+ 1 150.0913 -3.17
+  158.0961 C11H12N+ 1 158.0964 -1.94
+PK$NUM_PEAK: 24
+PK$PEAK: m/z int. rel.int.
+  56.0493 59472.7 107
+  68.0494 136960.5 247
+  70.065 552555.4 999
+  72.0807 38308.8 69
+  74.0601 33535.2 60
+  84.0443 333229.5 602
+  91.054 131514.9 237
+  95.0602 61724.2 111
+  97.0759 24269.8 43
+  102.0549 150900.9 272
+  103.0541 21067.7 38
+  107.0489 36899.5 66
+  112.0867 53564.9 96
+  113.0711 22031.3 39
+  115.0867 25862.5 46
+  120.0804 142575.7 257
+  121.0648 30206.6 54
+  122.06 19436.3 35
+  135.0677 37728.3 68
+  138.0665 24477 44
+  149.071 25010.2 45
+  150.0549 15880.5 28
+  150.0909 207374.5 374
+  158.0961 10761.4 19
+//
diff --git a/Eawag/MSBNK-EAWAG-EC060301.txt b/Eawag/MSBNK-EAWAG-EC060301.txt
new file mode 100644
index 0000000000..2761cc9b1c
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC060301.txt
@@ -0,0 +1,47 @@
+ACCESSION: MSBNK-EAWAG-EC060301
+RECORD_TITLE: Cyanopeptolin C; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE tbd
+COMMENT: CyanoMetDB_ID 603
+CH$NAME: Cyanopeptolin C
+CH$NAME: 4-[[(2S,5S,8S,11R,12S,15S)-5-benzyl-21-hydroxy-4,11-dimethyl-15-[4-(methylamino)butyl]-2-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-3-(hexanoylamino)-4-oxobutanoic acid
+CH$NAME: (3S)-4-[[(2S,5S,8S,11R,12S,15S,18S,21R)-5-benzyl-21-hydroxy-4,11-dimethyl-15-[4-(methylamino)butyl]-2-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-3-(hexanoylamino)-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C47H74N8O12
+CH$EXACT_MASS: 942.5426198
+CH$SMILES: CCCCCC(=O)NC(CC(=O)O)C(=O)N[C@H]1[C@H](OC(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](N2C(CCC(C2=O)NC(=O)[C@@H](NC1=O)CCCCNC)O)CC(C)C)C)CC3=CC=CC=C3)C(C)C)C
+CH$IUPAC: InChI=1S/C47H74N8O12/c1-9-10-12-20-36(56)49-33(26-38(58)59)42(61)53-40-29(6)67-47(66)39(28(4)5)52-43(62)34(25-30-17-13-11-14-18-30)54(8)46(65)35(24-27(2)3)55-37(57)22-21-32(45(55)64)51-41(60)31(50-44(40)63)19-15-16-23-48-7/h11,13-14,17-18,27-29,31-35,37,39-40,48,57H,9-10,12,15-16,19-26H2,1-8H3,(H,49,56)(H,50,63)(H,51,60)(H,52,62)(H,53,61)(H,58,59)/t29-,31+,32?,33?,34+,35+,37?,39+,40+/m1/s1
+CH$LINK: PUBCHEM CID:101656813
+CH$LINK: INCHIKEY QOZZMIMTOTZWNP-SXJCRJPTSA-N
+CH$LINK: CHEMSPIDER 78436453
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-983
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.772 min
+MS$FOCUSED_ION: BASE_PEAK 957.541
+MS$FOCUSED_ION: PRECURSOR_M/Z 943.5499
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-002f-0000000009-62098c47df19c879fd5c
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  925.5396 C47H73N8O11+ 1 925.5393 0.32
+  943.5498 C47H75N8O12+ 1 943.5499 -0.1
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  925.5396 867327.3 811
+  943.5498 1067781.4 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC060302.txt b/Eawag/MSBNK-EAWAG-EC060302.txt
new file mode 100644
index 0000000000..de43911e04
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC060302.txt
@@ -0,0 +1,55 @@
+ACCESSION: MSBNK-EAWAG-EC060302
+RECORD_TITLE: Cyanopeptolin C; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 603
+CH$NAME: Cyanopeptolin C
+CH$NAME: 4-[[(2S,5S,8S,11R,12S,15S)-5-benzyl-21-hydroxy-4,11-dimethyl-15-[4-(methylamino)butyl]-2-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-3-(hexanoylamino)-4-oxobutanoic acid
+CH$NAME: (3S)-4-[[(2S,5S,8S,11R,12S,15S,18S,21R)-5-benzyl-21-hydroxy-4,11-dimethyl-15-[4-(methylamino)butyl]-2-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-3-(hexanoylamino)-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C47H74N8O12
+CH$EXACT_MASS: 942.5426198
+CH$SMILES: CCCCCC(=O)NC(CC(=O)O)C(=O)N[C@H]1[C@H](OC(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](N2C(CCC(C2=O)NC(=O)[C@@H](NC1=O)CCCCNC)O)CC(C)C)C)CC3=CC=CC=C3)C(C)C)C
+CH$IUPAC: InChI=1S/C47H74N8O12/c1-9-10-12-20-36(56)49-33(26-38(58)59)42(61)53-40-29(6)67-47(66)39(28(4)5)52-43(62)34(25-30-17-13-11-14-18-30)54(8)46(65)35(24-27(2)3)55-37(57)22-21-32(45(55)64)51-41(60)31(50-44(40)63)19-15-16-23-48-7/h11,13-14,17-18,27-29,31-35,37,39-40,48,57H,9-10,12,15-16,19-26H2,1-8H3,(H,49,56)(H,50,63)(H,51,60)(H,52,62)(H,53,61)(H,58,59)/t29-,31+,32?,33?,34+,35+,37?,39+,40+/m1/s1
+CH$LINK: PUBCHEM CID:101656813
+CH$LINK: INCHIKEY QOZZMIMTOTZWNP-SXJCRJPTSA-N
+CH$LINK: CHEMSPIDER 78436453
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-983
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.772 min
+MS$FOCUSED_ION: BASE_PEAK 957.541
+MS$FOCUSED_ION: PRECURSOR_M/Z 943.5499
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-004i-0002000109-ce892dbf57a92886d49a
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  134.0963 C9H12N+ 1 134.0964 -0.71
+  209.1289 C11H17N2O2+ 1 209.1285 1.91
+  370.212 C21H28N3O3+ 4 370.2125 -1.42
+  712.4389 C36H62N3O11+ 7 712.4379 1.41
+  925.5396 C47H73N8O11+ 1 925.5393 0.26
+  943.5476 C47H75N8O12+ 1 943.5499 -2.43
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  134.0963 25771 22
+  209.1289 30099.7 25
+  370.212 394068 338
+  712.4389 246589.2 211
+  925.5396 1164167.5 999
+  943.5476 173462.5 148
+//
diff --git a/Eawag/MSBNK-EAWAG-EC060303.txt b/Eawag/MSBNK-EAWAG-EC060303.txt
new file mode 100644
index 0000000000..6722059d5f
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC060303.txt
@@ -0,0 +1,59 @@
+ACCESSION: MSBNK-EAWAG-EC060303
+RECORD_TITLE: Cyanopeptolin C; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 603
+CH$NAME: Cyanopeptolin C
+CH$NAME: 4-[[(2S,5S,8S,11R,12S,15S)-5-benzyl-21-hydroxy-4,11-dimethyl-15-[4-(methylamino)butyl]-2-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-3-(hexanoylamino)-4-oxobutanoic acid
+CH$NAME: (3S)-4-[[(2S,5S,8S,11R,12S,15S,18S,21R)-5-benzyl-21-hydroxy-4,11-dimethyl-15-[4-(methylamino)butyl]-2-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-3-(hexanoylamino)-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C47H74N8O12
+CH$EXACT_MASS: 942.5426198
+CH$SMILES: CCCCCC(=O)NC(CC(=O)O)C(=O)N[C@H]1[C@H](OC(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](N2C(CCC(C2=O)NC(=O)[C@@H](NC1=O)CCCCNC)O)CC(C)C)C)CC3=CC=CC=C3)C(C)C)C
+CH$IUPAC: InChI=1S/C47H74N8O12/c1-9-10-12-20-36(56)49-33(26-38(58)59)42(61)53-40-29(6)67-47(66)39(28(4)5)52-43(62)34(25-30-17-13-11-14-18-30)54(8)46(65)35(24-27(2)3)55-37(57)22-21-32(45(55)64)51-41(60)31(50-44(40)63)19-15-16-23-48-7/h11,13-14,17-18,27-29,31-35,37,39-40,48,57H,9-10,12,15-16,19-26H2,1-8H3,(H,49,56)(H,50,63)(H,51,60)(H,52,62)(H,53,61)(H,58,59)/t29-,31+,32?,33?,34+,35+,37?,39+,40+/m1/s1
+CH$LINK: PUBCHEM CID:101656813
+CH$LINK: INCHIKEY QOZZMIMTOTZWNP-SXJCRJPTSA-N
+CH$LINK: CHEMSPIDER 78436453
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-983
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.772 min
+MS$FOCUSED_ION: BASE_PEAK 957.541
+MS$FOCUSED_ION: PRECURSOR_M/Z 943.5499
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00di-0329000203-73cc7ab8bd35d7604fa5
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  134.0964 C9H12N+ 1 134.0964 -0.48
+  143.118 C7H15N2O+ 1 143.1179 1.1
+  153.1383 C9H17N2+ 1 153.1386 -2.01
+  181.1333 C10H17N2O+ 1 181.1335 -1.43
+  209.1281 C11H17N2O2+ 2 209.1285 -1.59
+  370.2121 C21H28N3O3+ 5 370.2125 -1.01
+  712.4395 C36H62N3O11+ 7 712.4379 2.27
+  925.5401 C47H73N8O11+ 1 925.5393 0.85
+PK$NUM_PEAK: 8
+PK$PEAK: m/z int. rel.int.
+  134.0964 248763 206
+  143.118 42029.1 34
+  153.1383 16808.8 13
+  181.1333 102536.4 84
+  209.1281 324048.1 268
+  370.2121 1206343 999
+  712.4395 371263.7 307
+  925.5401 490846.6 406
+//
diff --git a/Eawag/MSBNK-EAWAG-EC060304.txt b/Eawag/MSBNK-EAWAG-EC060304.txt
new file mode 100644
index 0000000000..cd70423a2d
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC060304.txt
@@ -0,0 +1,69 @@
+ACCESSION: MSBNK-EAWAG-EC060304
+RECORD_TITLE: Cyanopeptolin C; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 603
+CH$NAME: Cyanopeptolin C
+CH$NAME: 4-[[(2S,5S,8S,11R,12S,15S)-5-benzyl-21-hydroxy-4,11-dimethyl-15-[4-(methylamino)butyl]-2-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-3-(hexanoylamino)-4-oxobutanoic acid
+CH$NAME: (3S)-4-[[(2S,5S,8S,11R,12S,15S,18S,21R)-5-benzyl-21-hydroxy-4,11-dimethyl-15-[4-(methylamino)butyl]-2-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-3-(hexanoylamino)-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C47H74N8O12
+CH$EXACT_MASS: 942.5426198
+CH$SMILES: CCCCCC(=O)NC(CC(=O)O)C(=O)N[C@H]1[C@H](OC(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](N2C(CCC(C2=O)NC(=O)[C@@H](NC1=O)CCCCNC)O)CC(C)C)C)CC3=CC=CC=C3)C(C)C)C
+CH$IUPAC: InChI=1S/C47H74N8O12/c1-9-10-12-20-36(56)49-33(26-38(58)59)42(61)53-40-29(6)67-47(66)39(28(4)5)52-43(62)34(25-30-17-13-11-14-18-30)54(8)46(65)35(24-27(2)3)55-37(57)22-21-32(45(55)64)51-41(60)31(50-44(40)63)19-15-16-23-48-7/h11,13-14,17-18,27-29,31-35,37,39-40,48,57H,9-10,12,15-16,19-26H2,1-8H3,(H,49,56)(H,50,63)(H,51,60)(H,52,62)(H,53,61)(H,58,59)/t29-,31+,32?,33?,34+,35+,37?,39+,40+/m1/s1
+CH$LINK: PUBCHEM CID:101656813
+CH$LINK: INCHIKEY QOZZMIMTOTZWNP-SXJCRJPTSA-N
+CH$LINK: CHEMSPIDER 78436453
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-983
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.772 min
+MS$FOCUSED_ION: BASE_PEAK 957.541
+MS$FOCUSED_ION: PRECURSOR_M/Z 943.5499
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-05gi-1977000100-c130f50125956a286c2d
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  86.0964 C5H12N+ 1 86.0964 0.1
+  98.0965 C6H12N+ 1 98.0964 1.23
+  134.0964 C9H12N+ 1 134.0964 -0.48
+  143.1177 C7H15N2O+ 1 143.1179 -1.14
+  153.1387 C9H17N2+ 1 153.1386 0.19
+  181.1333 C10H17N2O+ 1 181.1335 -1.18
+  209.1281 C11H17N2O2+ 2 209.1285 -1.66
+  226.1548 C11H20N3O2+ 1 226.155 -0.85
+  258.1481 CH26N2O12+ 4 258.148 0.26
+  279.1702 C15H23N2O3+ 3 279.1703 -0.35
+  370.2121 C21H28N3O3+ 5 370.2125 -1.09
+  439.2534 C19H33N7O5+ 4 439.2538 -0.94
+  712.4376 C36H62N3O11+ 6 712.4379 -0.39
+PK$NUM_PEAK: 13
+PK$PEAK: m/z int. rel.int.
+  86.0964 82040.5 71
+  98.0965 114001.9 99
+  134.0964 690621.8 603
+  143.1177 151186.6 132
+  153.1387 104871 91
+  181.1333 420381.6 367
+  209.1281 904702.4 791
+  226.1548 79963.7 69
+  258.1481 106327.3 92
+  279.1702 41341.5 36
+  370.2121 1142327.8 999
+  439.2534 84535.4 73
+  712.4376 171049.4 149
+//
diff --git a/Eawag/MSBNK-EAWAG-EC060305.txt b/Eawag/MSBNK-EAWAG-EC060305.txt
new file mode 100644
index 0000000000..f141272eb5
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC060305.txt
@@ -0,0 +1,93 @@
+ACCESSION: MSBNK-EAWAG-EC060305
+RECORD_TITLE: Cyanopeptolin C; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 603
+CH$NAME: Cyanopeptolin C
+CH$NAME: 4-[[(2S,5S,8S,11R,12S,15S)-5-benzyl-21-hydroxy-4,11-dimethyl-15-[4-(methylamino)butyl]-2-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-3-(hexanoylamino)-4-oxobutanoic acid
+CH$NAME: (3S)-4-[[(2S,5S,8S,11R,12S,15S,18S,21R)-5-benzyl-21-hydroxy-4,11-dimethyl-15-[4-(methylamino)butyl]-2-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-3-(hexanoylamino)-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C47H74N8O12
+CH$EXACT_MASS: 942.5426198
+CH$SMILES: CCCCCC(=O)NC(CC(=O)O)C(=O)N[C@H]1[C@H](OC(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](N2C(CCC(C2=O)NC(=O)[C@@H](NC1=O)CCCCNC)O)CC(C)C)C)CC3=CC=CC=C3)C(C)C)C
+CH$IUPAC: InChI=1S/C47H74N8O12/c1-9-10-12-20-36(56)49-33(26-38(58)59)42(61)53-40-29(6)67-47(66)39(28(4)5)52-43(62)34(25-30-17-13-11-14-18-30)54(8)46(65)35(24-27(2)3)55-37(57)22-21-32(45(55)64)51-41(60)31(50-44(40)63)19-15-16-23-48-7/h11,13-14,17-18,27-29,31-35,37,39-40,48,57H,9-10,12,15-16,19-26H2,1-8H3,(H,49,56)(H,50,63)(H,51,60)(H,52,62)(H,53,61)(H,58,59)/t29-,31+,32?,33?,34+,35+,37?,39+,40+/m1/s1
+CH$LINK: PUBCHEM CID:101656813
+CH$LINK: INCHIKEY QOZZMIMTOTZWNP-SXJCRJPTSA-N
+CH$LINK: CHEMSPIDER 78436453
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-983
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.772 min
+MS$FOCUSED_ION: BASE_PEAK 957.541
+MS$FOCUSED_ION: PRECURSOR_M/Z 943.5499
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-053r-3940000000-c7891626cf1e35ce4eed
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  68.0496 C4H6N+ 1 68.0495 1.64
+  70.0652 C4H8N+ 1 70.0651 1.77
+  84.0808 C5H10N+ 1 84.0808 0.5
+  86.0964 C5H12N+ 1 86.0964 -0.08
+  88.0393 C3H6NO2+ 1 88.0393 0.33
+  98.0964 C6H12N+ 1 98.0964 -0.25
+  124.112 C8H14N+ 1 124.1121 -0.89
+  134.0963 C9H12N+ 1 134.0964 -0.6
+  143.1178 C7H15N2O+ 1 143.1179 -0.39
+  153.1385 C9H17N2+ 1 153.1386 -0.81
+  169.097 C8H13N2O2+ 1 169.0972 -1.19
+  169.1335 C9H17N2O+ 1 169.1335 -0.16
+  181.1334 C10H17N2O+ 1 181.1335 -0.93
+  191.1176 C11H15N2O+ 1 191.1179 -1.65
+  192.1025 C11H14NO2+ 1 192.1019 2.9
+  193.0971 C10H13N2O2+ 1 193.0972 -0.43
+  209.1281 C11H17N2O2+ 2 209.1285 -1.66
+  210.1239 C10H16N3O2+ 1 210.1237 0.81
+  226.1543 C11H20N3O2+ 2 226.155 -3.01
+  233.1645 C14H21N2O+ 4 233.1648 -1.32
+  244.1644 C11H22N3O3+ 2 244.1656 -4.67
+  254.149 C12H20N3O3+ 2 254.1499 -3.54
+  258.1482 CH26N2O12+ 4 258.148 0.73
+  279.1702 C15H23N2O3+ 3 279.1703 -0.57
+  370.212 C21H28N3O3+ 5 370.2125 -1.34
+PK$NUM_PEAK: 25
+PK$PEAK: m/z int. rel.int.
+  68.0496 56326.7 49
+  70.0652 30501.3 26
+  84.0808 81025.3 71
+  86.0964 602905.6 532
+  88.0393 27406.6 24
+  98.0964 627664.9 554
+  124.112 51157.3 45
+  134.0963 1130101.2 999
+  143.1178 470570.9 415
+  153.1385 420398.4 371
+  169.097 48992.3 43
+  169.1335 17451.6 15
+  181.1334 1050075.5 928
+  191.1176 21325.6 18
+  192.1025 28639.5 25
+  193.0971 29953.8 26
+  209.1281 854925.5 755
+  210.1239 38635.6 34
+  226.1543 112227.8 99
+  233.1645 33284.9 29
+  244.1644 64032.6 56
+  254.149 23244.3 20
+  258.1482 422577.5 373
+  279.1702 46336.7 40
+  370.212 118859 105
+//
diff --git a/Eawag/MSBNK-EAWAG-EC060306.txt b/Eawag/MSBNK-EAWAG-EC060306.txt
new file mode 100644
index 0000000000..dc27a3d25d
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC060306.txt
@@ -0,0 +1,109 @@
+ACCESSION: MSBNK-EAWAG-EC060306
+RECORD_TITLE: Cyanopeptolin C; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 603
+CH$NAME: Cyanopeptolin C
+CH$NAME: 4-[[(2S,5S,8S,11R,12S,15S)-5-benzyl-21-hydroxy-4,11-dimethyl-15-[4-(methylamino)butyl]-2-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-3-(hexanoylamino)-4-oxobutanoic acid
+CH$NAME: (3S)-4-[[(2S,5S,8S,11R,12S,15S,18S,21R)-5-benzyl-21-hydroxy-4,11-dimethyl-15-[4-(methylamino)butyl]-2-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-3-(hexanoylamino)-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C47H74N8O12
+CH$EXACT_MASS: 942.5426198
+CH$SMILES: CCCCCC(=O)NC(CC(=O)O)C(=O)N[C@H]1[C@H](OC(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](N2C(CCC(C2=O)NC(=O)[C@@H](NC1=O)CCCCNC)O)CC(C)C)C)CC3=CC=CC=C3)C(C)C)C
+CH$IUPAC: InChI=1S/C47H74N8O12/c1-9-10-12-20-36(56)49-33(26-38(58)59)42(61)53-40-29(6)67-47(66)39(28(4)5)52-43(62)34(25-30-17-13-11-14-18-30)54(8)46(65)35(24-27(2)3)55-37(57)22-21-32(45(55)64)51-41(60)31(50-44(40)63)19-15-16-23-48-7/h11,13-14,17-18,27-29,31-35,37,39-40,48,57H,9-10,12,15-16,19-26H2,1-8H3,(H,49,56)(H,50,63)(H,51,60)(H,52,62)(H,53,61)(H,58,59)/t29-,31+,32?,33?,34+,35+,37?,39+,40+/m1/s1
+CH$LINK: PUBCHEM CID:101656813
+CH$LINK: INCHIKEY QOZZMIMTOTZWNP-SXJCRJPTSA-N
+CH$LINK: CHEMSPIDER 78436453
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-983
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.772 min
+MS$FOCUSED_ION: BASE_PEAK 957.541
+MS$FOCUSED_ION: PRECURSOR_M/Z 943.5499
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-001r-7910000000-a23230dd8fc3174453d7
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  56.0495 C3H6N+ 1 56.0495 0.99
+  68.0495 C4H6N+ 1 68.0495 0.29
+  70.0652 C4H8N+ 1 70.0651 0.9
+  72.0807 C4H10N+ 1 72.0808 -0.46
+  74.06 C3H8NO+ 1 74.06 -0.31
+  84.0443 C4H6NO+ 1 84.0444 -0.49
+  84.0808 C5H10N+ 1 84.0808 0.14
+  86.0964 C5H12N+ 1 86.0964 -0.08
+  88.0393 C3H6NO2+ 1 88.0393 0.07
+  91.0545 C7H7+ 1 91.0542 2.49
+  98.0964 C6H12N+ 1 98.0964 -0.25
+  115.1231 C6H15N2+ 1 115.123 1.03
+  124.112 C8H14N+ 1 124.1121 -0.71
+  134.0963 C9H12N+ 1 134.0964 -0.82
+  136.1118 C9H14N+ 1 136.1121 -1.84
+  138.0912 C8H12NO+ 1 138.0913 -1.11
+  141.102 C7H13N2O+ 1 141.1022 -1.6
+  143.1178 C7H15N2O+ 1 143.1179 -0.82
+  153.066 C7H9N2O2+ 1 153.0659 0.8
+  153.1023 C8H13N2O+ 1 153.1022 0.64
+  153.1385 C9H17N2+ 1 153.1386 -1.01
+  162.0907 C10H12NO+ 2 162.0913 -3.87
+  169.0971 C8H13N2O2+ 1 169.0972 -0.38
+  169.1337 C9H17N2O+ 1 169.1335 0.92
+  181.1334 C10H17N2O+ 1 181.1335 -0.93
+  191.1176 C11H15N2O+ 1 191.1179 -1.41
+  192.1016 C11H14NO2+ 1 192.1019 -1.47
+  193.0968 C10H13N2O2+ 1 193.0972 -1.7
+  209.128 C11H17N2O2+ 2 209.1285 -2.17
+  210.1233 C10H16N3O2+ 2 210.1237 -1.95
+  215.0937 C13H13NO2+ 2 215.0941 -1.69
+  244.165 C11H22N3O3+ 2 244.1656 -2.36
+  258.1482 CH26N2O12+ 4 258.148 0.62
+PK$NUM_PEAK: 33
+PK$PEAK: m/z int. rel.int.
+  56.0495 23407.1 19
+  68.0495 226739.2 191
+  70.0652 82159.1 69
+  72.0807 58901.2 49
+  74.06 25889.8 21
+  84.0443 30959.2 26
+  84.0808 225224 190
+  86.0964 1037570.9 876
+  88.0393 99049.8 83
+  91.0545 13050.4 11
+  98.0964 935094.6 790
+  115.1231 19999 16
+  124.112 190209.2 160
+  134.0963 1182079.4 999
+  136.1118 86307.9 72
+  138.0912 17344.2 14
+  141.102 17349.7 14
+  143.1178 620864.8 524
+  153.066 34812 29
+  153.1023 27501.5 23
+  153.1385 373073 315
+  162.0907 53845.7 45
+  169.0971 71601.7 60
+  169.1337 44755.5 37
+  181.1334 666697.9 563
+  191.1176 32932.6 27
+  192.1016 32246.9 27
+  193.0968 25051.2 21
+  209.128 183539.8 155
+  210.1233 52300.2 44
+  215.0937 32667.4 27
+  244.165 24848.6 21
+  258.1482 434148.5 366
+//
diff --git a/Eawag/MSBNK-EAWAG-EC060307.txt b/Eawag/MSBNK-EAWAG-EC060307.txt
new file mode 100644
index 0000000000..96c08e7250
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC060307.txt
@@ -0,0 +1,131 @@
+ACCESSION: MSBNK-EAWAG-EC060307
+RECORD_TITLE: Cyanopeptolin C; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 603
+CH$NAME: Cyanopeptolin C
+CH$NAME: 4-[[(2S,5S,8S,11R,12S,15S)-5-benzyl-21-hydroxy-4,11-dimethyl-15-[4-(methylamino)butyl]-2-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-3-(hexanoylamino)-4-oxobutanoic acid
+CH$NAME: (3S)-4-[[(2S,5S,8S,11R,12S,15S,18S,21R)-5-benzyl-21-hydroxy-4,11-dimethyl-15-[4-(methylamino)butyl]-2-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-3-(hexanoylamino)-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C47H74N8O12
+CH$EXACT_MASS: 942.5426198
+CH$SMILES: CCCCCC(=O)NC(CC(=O)O)C(=O)N[C@H]1[C@H](OC(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](N2C(CCC(C2=O)NC(=O)[C@@H](NC1=O)CCCCNC)O)CC(C)C)C)CC3=CC=CC=C3)C(C)C)C
+CH$IUPAC: InChI=1S/C47H74N8O12/c1-9-10-12-20-36(56)49-33(26-38(58)59)42(61)53-40-29(6)67-47(66)39(28(4)5)52-43(62)34(25-30-17-13-11-14-18-30)54(8)46(65)35(24-27(2)3)55-37(57)22-21-32(45(55)64)51-41(60)31(50-44(40)63)19-15-16-23-48-7/h11,13-14,17-18,27-29,31-35,37,39-40,48,57H,9-10,12,15-16,19-26H2,1-8H3,(H,49,56)(H,50,63)(H,51,60)(H,52,62)(H,53,61)(H,58,59)/t29-,31+,32?,33?,34+,35+,37?,39+,40+/m1/s1
+CH$LINK: PUBCHEM CID:101656813
+CH$LINK: INCHIKEY QOZZMIMTOTZWNP-SXJCRJPTSA-N
+CH$LINK: CHEMSPIDER 78436453
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-983
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.772 min
+MS$FOCUSED_ION: BASE_PEAK 957.541
+MS$FOCUSED_ION: PRECURSOR_M/Z 943.5499
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-001s-9700000000-8575aaf88835ec55cc02
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  56.0495 C3H6N+ 1 56.0495 -0.44
+  68.0495 C4H6N+ 1 68.0495 0.07
+  70.0289 C3H4NO+ 1 70.0287 2.22
+  70.0652 C4H8N+ 1 70.0651 0.35
+  72.0808 C4H10N+ 1 72.0808 0.28
+  80.0496 C5H6N+ 1 80.0495 1.93
+  84.0445 C4H6NO+ 1 84.0444 1.42
+  84.0807 C5H10N+ 1 84.0808 -0.5
+  86.0964 C5H12N+ 1 86.0964 -0.34
+  88.0393 C3H6NO2+ 1 88.0393 0.5
+  91.0541 C7H7+ 1 91.0542 -0.87
+  94.0652 C6H8N+ 1 94.0651 1.17
+  96.0807 C6H10N+ 1 96.0808 -0.62
+  98.0964 C6H12N+ 1 98.0964 -0.25
+  105.0698 C8H9+ 1 105.0699 -0.5
+  110.0965 C7H12N+ 1 110.0964 0.84
+  111.0552 C5H7N2O+ 1 111.0553 -0.7
+  112.1123 C7H14N+ 1 112.1121 2.02
+  119.073 C8H9N+ 1 119.073 0.7
+  124.112 C8H14N+ 1 124.1121 -0.83
+  125.1072 C7H13N2+ 1 125.1073 -0.72
+  126.0917 C7H12NO+ 1 126.0913 3.03
+  132.0806 C9H10N+ 1 132.0808 -1.16
+  134.0963 C9H12N+ 1 134.0964 -0.82
+  136.112 C9H14N+ 1 136.1121 -0.83
+  138.0915 C8H12NO+ 1 138.0913 0.99
+  141.1022 C7H13N2O+ 1 141.1022 -0.52
+  143.1178 C7H15N2O+ 1 143.1179 -0.82
+  149.071 C8H9N2O+ 1 149.0709 0.7
+  153.066 C7H9N2O2+ 1 153.0659 1.09
+  153.1025 C8H13N2O+ 1 153.1022 1.44
+  153.1385 C9H17N2+ 1 153.1386 -1.01
+  162.0913 C10H12NO+ 1 162.0913 -0.11
+  164.1067 C10H14NO+ 1 164.107 -1.95
+  167.1178 C9H15N2O+ 1 167.1179 -0.43
+  169.0971 C8H13N2O2+ 1 169.0972 -0.47
+  169.1338 C9H17N2O+ 1 169.1335 1.47
+  181.1334 C10H17N2O+ 1 181.1335 -0.76
+  187.0984 C12H13NO+ 2 187.0992 -3.85
+  192.1015 C11H14NO2+ 2 192.1019 -2.03
+  210.1233 C10H16N3O2+ 2 210.1237 -1.95
+  215.0932 C13H13NO2+ 2 215.0941 -4.31
+  216.1015 C11H12N4O+ 2 216.1006 4.23
+  258.1479 CH26N2O12+ 3 258.148 -0.45
+PK$NUM_PEAK: 44
+PK$PEAK: m/z int. rel.int.
+  56.0495 43763.2 39
+  68.0495 393037.3 357
+  70.0289 13511.2 12
+  70.0652 139225 126
+  72.0808 64636.6 58
+  80.0496 42972.4 39
+  84.0445 41012.2 37
+  84.0807 385310.7 350
+  86.0964 1052705.8 956
+  88.0393 172644.6 156
+  91.0541 48343.3 43
+  94.0652 17772.6 16
+  96.0807 42522.5 38
+  98.0964 1095660.9 995
+  105.0698 28358.2 25
+  110.0965 24148.6 21
+  111.0552 23757.1 21
+  112.1123 19078.4 17
+  119.073 26279.6 23
+  124.112 251592.8 228
+  125.1072 35054.3 31
+  126.0917 24220.9 22
+  132.0806 61818.2 56
+  134.0963 1099044.5 999
+  136.112 167533.1 152
+  138.0915 36352 33
+  141.1022 31976.9 29
+  143.1178 521862.5 474
+  149.071 17471 15
+  153.066 36579.3 33
+  153.1025 34028.5 30
+  153.1385 229126.4 208
+  162.0913 27638.9 25
+  164.1067 19250.3 17
+  167.1178 28201.2 25
+  169.0971 74018.9 67
+  169.1338 49764.7 45
+  181.1334 197431 179
+  187.0984 67652.8 61
+  192.1015 25771.9 23
+  210.1233 56481.3 51
+  215.0932 87333.9 79
+  216.1015 38124.5 34
+  258.1479 205056.3 186
+//
diff --git a/Eawag/MSBNK-EAWAG-EC060308.txt b/Eawag/MSBNK-EAWAG-EC060308.txt
new file mode 100644
index 0000000000..f35b1e1c3a
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC060308.txt
@@ -0,0 +1,127 @@
+ACCESSION: MSBNK-EAWAG-EC060308
+RECORD_TITLE: Cyanopeptolin C; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 603
+CH$NAME: Cyanopeptolin C
+CH$NAME: 4-[[(2S,5S,8S,11R,12S,15S)-5-benzyl-21-hydroxy-4,11-dimethyl-15-[4-(methylamino)butyl]-2-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-3-(hexanoylamino)-4-oxobutanoic acid
+CH$NAME: (3S)-4-[[(2S,5S,8S,11R,12S,15S,18S,21R)-5-benzyl-21-hydroxy-4,11-dimethyl-15-[4-(methylamino)butyl]-2-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-3-(hexanoylamino)-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C47H74N8O12
+CH$EXACT_MASS: 942.5426198
+CH$SMILES: CCCCCC(=O)NC(CC(=O)O)C(=O)N[C@H]1[C@H](OC(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](N2C(CCC(C2=O)NC(=O)[C@@H](NC1=O)CCCCNC)O)CC(C)C)C)CC3=CC=CC=C3)C(C)C)C
+CH$IUPAC: InChI=1S/C47H74N8O12/c1-9-10-12-20-36(56)49-33(26-38(58)59)42(61)53-40-29(6)67-47(66)39(28(4)5)52-43(62)34(25-30-17-13-11-14-18-30)54(8)46(65)35(24-27(2)3)55-37(57)22-21-32(45(55)64)51-41(60)31(50-44(40)63)19-15-16-23-48-7/h11,13-14,17-18,27-29,31-35,37,39-40,48,57H,9-10,12,15-16,19-26H2,1-8H3,(H,49,56)(H,50,63)(H,51,60)(H,52,62)(H,53,61)(H,58,59)/t29-,31+,32?,33?,34+,35+,37?,39+,40+/m1/s1
+CH$LINK: PUBCHEM CID:101656813
+CH$LINK: INCHIKEY QOZZMIMTOTZWNP-SXJCRJPTSA-N
+CH$LINK: CHEMSPIDER 78436453
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-983
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.772 min
+MS$FOCUSED_ION: BASE_PEAK 957.541
+MS$FOCUSED_ION: PRECURSOR_M/Z 943.5499
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-001s-9500000000-31858b64ff3a752b0496
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  56.0494 C3H6N+ 1 56.0495 -0.64
+  68.0495 C4H6N+ 1 68.0495 0.07
+  69.07 C5H9+ 1 69.0699 1.33
+  70.0289 C3H4NO+ 1 70.0287 2.76
+  70.0652 C4H8N+ 1 70.0651 0.57
+  72.0807 C4H10N+ 1 72.0808 -0.99
+  74.0601 C3H8NO+ 1 74.06 0.31
+  80.0495 C5H6N+ 1 80.0495 0.31
+  82.0651 C5H8N+ 1 82.0651 -0.28
+  84.0445 C4H6NO+ 1 84.0444 1.87
+  84.0808 C5H10N+ 1 84.0808 -0.04
+  86.0964 C5H12N+ 1 86.0964 -0.08
+  88.0393 C3H6NO2+ 1 88.0393 -0.54
+  91.0542 C7H7+ 1 91.0542 -0.11
+  96.0806 C6H10N+ 1 96.0808 -1.42
+  98.0964 C6H12N+ 1 98.0964 -0.17
+  105.0697 C8H9+ 1 105.0699 -1.95
+  110.0602 C6H8NO+ 1 110.06 1.41
+  111.0554 C5H7N2O+ 1 111.0553 1.43
+  119.073 C8H9N+ 1 119.073 0
+  124.1121 C8H14N+ 1 124.1121 -0.15
+  125.1069 C7H13N2+ 1 125.1073 -3.16
+  126.0911 C7H12NO+ 1 126.0913 -1.63
+  132.0806 C9H10N+ 1 132.0808 -1.5
+  134.0963 C9H12N+ 1 134.0964 -0.82
+  136.112 C9H14N+ 1 136.1121 -0.27
+  138.0912 C8H12NO+ 1 138.0913 -0.89
+  141.1022 C7H13N2O+ 1 141.1022 -0.2
+  143.1178 C7H15N2O+ 1 143.1179 -0.71
+  153.0661 C7H9N2O2+ 1 153.0659 1.29
+  153.1024 C8H13N2O+ 1 153.1022 1.14
+  153.1383 C9H17N2+ 1 153.1386 -1.91
+  158.096 C11H12N+ 1 158.0964 -2.71
+  164.107 C10H14NO+ 1 164.107 0.18
+  169.1337 C9H17N2O+ 1 169.1335 0.74
+  181.133 C10H17N2O+ 2 181.1335 -2.86
+  186.0908 C12H12NO+ 2 186.0913 -2.96
+  187.0992 C12H13NO+ 1 187.0992 -0.02
+  191.1176 C11H15N2O+ 1 191.1179 -1.41
+  210.1228 C10H16N3O2+ 2 210.1237 -4.34
+  215.0944 C13H13NO2+ 1 215.0941 1.29
+  258.1478 CH26N2O12+ 3 258.148 -0.68
+PK$NUM_PEAK: 42
+PK$PEAK: m/z int. rel.int.
+  56.0494 63370.9 54
+  68.0495 589615.1 507
+  69.07 29887.5 25
+  70.0289 20383.2 17
+  70.0652 212086.8 182
+  72.0807 55669.6 47
+  74.0601 43076.4 37
+  80.0495 58985.8 50
+  82.0651 29538.8 25
+  84.0445 40469.3 34
+  84.0808 528863.9 455
+  86.0964 731444.6 629
+  88.0393 182951.3 157
+  91.0542 130540.1 112
+  96.0806 40084.4 34
+  98.0964 1160709.2 999
+  105.0697 47925 41
+  110.0602 32469.2 27
+  111.0554 23228.5 19
+  119.073 70224.1 60
+  124.1121 257077.4 221
+  125.1069 42773.2 36
+  126.0911 27169.3 23
+  132.0806 66835.8 57
+  134.0963 900971.4 775
+  136.112 181546.2 156
+  138.0912 34211.6 29
+  141.1022 30581.5 26
+  143.1178 360267.4 310
+  153.0661 17502 15
+  153.1024 24633.7 21
+  153.1383 70828.1 60
+  158.096 15322.6 13
+  164.107 13336.8 11
+  169.1337 30756.5 26
+  181.133 56385.6 48
+  186.0908 21883.8 18
+  187.0992 81353.6 70
+  191.1176 12151.5 10
+  210.1228 29622.9 25
+  215.0944 42309.8 36
+  258.1478 57290.8 49
+//
diff --git a/Eawag/MSBNK-EAWAG-EC060309.txt b/Eawag/MSBNK-EAWAG-EC060309.txt
new file mode 100644
index 0000000000..743b52c26a
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC060309.txt
@@ -0,0 +1,117 @@
+ACCESSION: MSBNK-EAWAG-EC060309
+RECORD_TITLE: Cyanopeptolin C; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 603
+CH$NAME: Cyanopeptolin C
+CH$NAME: 4-[[(2S,5S,8S,11R,12S,15S)-5-benzyl-21-hydroxy-4,11-dimethyl-15-[4-(methylamino)butyl]-2-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-3-(hexanoylamino)-4-oxobutanoic acid
+CH$NAME: (3S)-4-[[(2S,5S,8S,11R,12S,15S,18S,21R)-5-benzyl-21-hydroxy-4,11-dimethyl-15-[4-(methylamino)butyl]-2-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-3-(hexanoylamino)-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C47H74N8O12
+CH$EXACT_MASS: 942.5426198
+CH$SMILES: CCCCCC(=O)NC(CC(=O)O)C(=O)N[C@H]1[C@H](OC(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](N2C(CCC(C2=O)NC(=O)[C@@H](NC1=O)CCCCNC)O)CC(C)C)C)CC3=CC=CC=C3)C(C)C)C
+CH$IUPAC: InChI=1S/C47H74N8O12/c1-9-10-12-20-36(56)49-33(26-38(58)59)42(61)53-40-29(6)67-47(66)39(28(4)5)52-43(62)34(25-30-17-13-11-14-18-30)54(8)46(65)35(24-27(2)3)55-37(57)22-21-32(45(55)64)51-41(60)31(50-44(40)63)19-15-16-23-48-7/h11,13-14,17-18,27-29,31-35,37,39-40,48,57H,9-10,12,15-16,19-26H2,1-8H3,(H,49,56)(H,50,63)(H,51,60)(H,52,62)(H,53,61)(H,58,59)/t29-,31+,32?,33?,34+,35+,37?,39+,40+/m1/s1
+CH$LINK: PUBCHEM CID:101656813
+CH$LINK: INCHIKEY QOZZMIMTOTZWNP-SXJCRJPTSA-N
+CH$LINK: CHEMSPIDER 78436453
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-983
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.772 min
+MS$FOCUSED_ION: BASE_PEAK 957.541
+MS$FOCUSED_ION: PRECURSOR_M/Z 943.5499
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00ls-9300000000-c52eaa281f4d6e2f15c4
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  55.0542 C4H7+ 1 55.0542 -0.02
+  56.0494 C3H6N+ 1 56.0495 -1.53
+  57.0698 C4H9+ 1 57.0699 -0.53
+  67.0542 C5H7+ 1 67.0542 -0.88
+  68.0495 C4H6N+ 1 68.0495 -0.27
+  69.0697 C5H9+ 1 69.0699 -1.87
+  70.0288 C3H4NO+ 1 70.0287 0.91
+  70.0651 C4H8N+ 1 70.0651 -0.08
+  71.0855 C5H11+ 1 71.0855 -0.47
+  72.0808 C4H10N+ 1 72.0808 -0.04
+  74.0601 C3H8NO+ 1 74.06 0.31
+  80.0494 C5H6N+ 1 80.0495 -0.55
+  82.0651 C5H8N+ 1 82.0651 0.09
+  84.0444 C4H6NO+ 1 84.0444 -0.03
+  84.0807 C5H10N+ 1 84.0808 -0.31
+  86.0964 C5H12N+ 1 86.0964 -0.78
+  88.0392 C3H6NO2+ 1 88.0393 -0.97
+  91.0541 C7H7+ 1 91.0542 -1.37
+  94.0653 C6H8N+ 1 94.0651 1.33
+  96.0806 C6H10N+ 1 96.0808 -1.73
+  98.0964 C6H12N+ 1 98.0964 -0.56
+  110.0599 C6H8NO+ 1 110.06 -0.95
+  111.0553 C5H7N2O+ 1 111.0553 0.26
+  119.0729 C8H9N+ 1 119.073 -0.45
+  124.1119 C8H14N+ 1 124.1121 -1.2
+  125.0709 C6H9N2O+ 1 125.0709 -0.23
+  125.1073 C7H13N2+ 1 125.1073 0.19
+  126.0913 C7H12NO+ 1 126.0913 -0.36
+  132.0809 C9H10N+ 1 132.0808 0.81
+  134.0963 C9H12N+ 1 134.0964 -1.05
+  136.1119 C9H14N+ 1 136.1121 -1.06
+  143.1176 C7H15N2O+ 1 143.1179 -1.78
+  149.0709 C8H9N2O+ 1 149.0709 -0.22
+  153.1386 C9H17N2+ 1 153.1386 -0.31
+  158.096 C11H12N+ 1 158.0964 -2.61
+  170.0965 C12H12N+ 1 170.0964 0.21
+  186.0912 C12H12NO+ 1 186.0913 -0.66
+PK$NUM_PEAK: 37
+PK$PEAK: m/z int. rel.int.
+  55.0542 31977.5 24
+  56.0494 100593.2 78
+  57.0698 25017.3 19
+  67.0542 31794.7 24
+  68.0495 804535.6 626
+  69.0697 35638.9 27
+  70.0288 29441.6 22
+  70.0651 301145 234
+  71.0855 15523 12
+  72.0808 74358.7 57
+  74.0601 51938.8 40
+  80.0494 105128.6 81
+  82.0651 39096.4 30
+  84.0444 56494.4 44
+  84.0807 663545.1 517
+  86.0964 497416.9 387
+  88.0392 190263.2 148
+  91.0541 217735.2 169
+  94.0653 59222 46
+  96.0806 54135.3 42
+  98.0964 1281992.2 999
+  110.0599 36356 28
+  111.0553 22489.1 17
+  119.0729 156320.3 121
+  124.1119 214621.1 167
+  125.0709 31755.3 24
+  125.1073 42056.6 32
+  126.0913 26316.5 20
+  132.0809 77560.1 60
+  134.0963 769444.1 599
+  136.1119 136910.3 106
+  143.1176 196890.5 153
+  149.0709 32721 25
+  153.1386 21797.9 16
+  158.096 43522.9 33
+  170.0965 17034 13
+  186.0912 35004.6 27
+//
diff --git a/Eawag/MSBNK-EAWAG-EC060351.txt b/Eawag/MSBNK-EAWAG-EC060351.txt
new file mode 100644
index 0000000000..99063ca553
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC060351.txt
@@ -0,0 +1,55 @@
+ACCESSION: MSBNK-EAWAG-EC060351
+RECORD_TITLE: Cyanopeptolin C; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 603
+CH$NAME: Cyanopeptolin C
+CH$NAME: 4-[[(2S,5S,8S,11R,12S,15S)-5-benzyl-21-hydroxy-4,11-dimethyl-15-[4-(methylamino)butyl]-2-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-3-(hexanoylamino)-4-oxobutanoic acid
+CH$NAME: (3S)-4-[[(2S,5S,8S,11R,12S,15S,18S,21R)-5-benzyl-21-hydroxy-4,11-dimethyl-15-[4-(methylamino)butyl]-2-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-3-(hexanoylamino)-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C47H74N8O12
+CH$EXACT_MASS: 942.5426198
+CH$SMILES: CCCCCC(=O)NC(CC(=O)O)C(=O)N[C@H]1[C@H](OC(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](N2C(CCC(C2=O)NC(=O)[C@@H](NC1=O)CCCCNC)O)CC(C)C)C)CC3=CC=CC=C3)C(C)C)C
+CH$IUPAC: InChI=1S/C47H74N8O12/c1-9-10-12-20-36(56)49-33(26-38(58)59)42(61)53-40-29(6)67-47(66)39(28(4)5)52-43(62)34(25-30-17-13-11-14-18-30)54(8)46(65)35(24-27(2)3)55-37(57)22-21-32(45(55)64)51-41(60)31(50-44(40)63)19-15-16-23-48-7/h11,13-14,17-18,27-29,31-35,37,39-40,48,57H,9-10,12,15-16,19-26H2,1-8H3,(H,49,56)(H,50,63)(H,51,60)(H,52,62)(H,53,61)(H,58,59)/t29-,31+,32?,33?,34+,35+,37?,39+,40+/m1/s1
+CH$LINK: PUBCHEM CID:101656813
+CH$LINK: INCHIKEY QOZZMIMTOTZWNP-SXJCRJPTSA-N
+CH$LINK: CHEMSPIDER 78436453
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-981
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.760 min
+MS$FOCUSED_ION: BASE_PEAK 955.5526
+MS$FOCUSED_ION: PRECURSOR_M/Z 941.5353
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0006-0000001009-2cba3ef55ea7d480e44d
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  535.2881 C39H37NO- 6 535.2881 0.08
+  650.3883 C31H52N7O8- 10 650.3883 0.09
+  694.4128 C45H52N5O2- 8 694.4126 0.15
+  808.4249 C41H58N7O10- 4 808.4251 -0.18
+  923.5236 C47H71N8O11- 1 923.5248 -1.29
+  941.5352 C47H73N8O12- 1 941.5353 -0.13
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  535.2881 23753 33
+  650.3883 59457.2 84
+  694.4128 54668.4 77
+  808.4249 34035.3 48
+  923.5236 88068 124
+  941.5352 704658.4 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC060352.txt b/Eawag/MSBNK-EAWAG-EC060352.txt
new file mode 100644
index 0000000000..a9dfac688c
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC060352.txt
@@ -0,0 +1,49 @@
+ACCESSION: MSBNK-EAWAG-EC060352
+RECORD_TITLE: Cyanopeptolin C; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 603
+CH$NAME: Cyanopeptolin C
+CH$NAME: 4-[[(2S,5S,8S,11R,12S,15S)-5-benzyl-21-hydroxy-4,11-dimethyl-15-[4-(methylamino)butyl]-2-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-3-(hexanoylamino)-4-oxobutanoic acid
+CH$NAME: (3S)-4-[[(2S,5S,8S,11R,12S,15S,18S,21R)-5-benzyl-21-hydroxy-4,11-dimethyl-15-[4-(methylamino)butyl]-2-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-3-(hexanoylamino)-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C47H74N8O12
+CH$EXACT_MASS: 942.5426198
+CH$SMILES: CCCCCC(=O)NC(CC(=O)O)C(=O)N[C@H]1[C@H](OC(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](N2C(CCC(C2=O)NC(=O)[C@@H](NC1=O)CCCCNC)O)CC(C)C)C)CC3=CC=CC=C3)C(C)C)C
+CH$IUPAC: InChI=1S/C47H74N8O12/c1-9-10-12-20-36(56)49-33(26-38(58)59)42(61)53-40-29(6)67-47(66)39(28(4)5)52-43(62)34(25-30-17-13-11-14-18-30)54(8)46(65)35(24-27(2)3)55-37(57)22-21-32(45(55)64)51-41(60)31(50-44(40)63)19-15-16-23-48-7/h11,13-14,17-18,27-29,31-35,37,39-40,48,57H,9-10,12,15-16,19-26H2,1-8H3,(H,49,56)(H,50,63)(H,51,60)(H,52,62)(H,53,61)(H,58,59)/t29-,31+,32?,33?,34+,35+,37?,39+,40+/m1/s1
+CH$LINK: PUBCHEM CID:101656813
+CH$LINK: INCHIKEY QOZZMIMTOTZWNP-SXJCRJPTSA-N
+CH$LINK: CHEMSPIDER 78436453
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-981
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.760 min
+MS$FOCUSED_ION: BASE_PEAK 955.5526
+MS$FOCUSED_ION: PRECURSOR_M/Z 941.5353
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0076-0000040009-9e45eac503e6c0943daa
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  535.2882 C39H37NO- 6 535.2881 0.19
+  923.5257 C47H71N8O11- 1 923.5248 1.03
+  941.5359 C47H73N8O12- 1 941.5353 0.58
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  535.2882 283501.7 799
+  923.5257 275732.8 778
+  941.5359 354028.6 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC060353.txt b/Eawag/MSBNK-EAWAG-EC060353.txt
new file mode 100644
index 0000000000..3972ca3778
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC060353.txt
@@ -0,0 +1,49 @@
+ACCESSION: MSBNK-EAWAG-EC060353
+RECORD_TITLE: Cyanopeptolin C; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 603
+CH$NAME: Cyanopeptolin C
+CH$NAME: 4-[[(2S,5S,8S,11R,12S,15S)-5-benzyl-21-hydroxy-4,11-dimethyl-15-[4-(methylamino)butyl]-2-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-3-(hexanoylamino)-4-oxobutanoic acid
+CH$NAME: (3S)-4-[[(2S,5S,8S,11R,12S,15S,18S,21R)-5-benzyl-21-hydroxy-4,11-dimethyl-15-[4-(methylamino)butyl]-2-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-3-(hexanoylamino)-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C47H74N8O12
+CH$EXACT_MASS: 942.5426198
+CH$SMILES: CCCCCC(=O)NC(CC(=O)O)C(=O)N[C@H]1[C@H](OC(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](N2C(CCC(C2=O)NC(=O)[C@@H](NC1=O)CCCCNC)O)CC(C)C)C)CC3=CC=CC=C3)C(C)C)C
+CH$IUPAC: InChI=1S/C47H74N8O12/c1-9-10-12-20-36(56)49-33(26-38(58)59)42(61)53-40-29(6)67-47(66)39(28(4)5)52-43(62)34(25-30-17-13-11-14-18-30)54(8)46(65)35(24-27(2)3)55-37(57)22-21-32(45(55)64)51-41(60)31(50-44(40)63)19-15-16-23-48-7/h11,13-14,17-18,27-29,31-35,37,39-40,48,57H,9-10,12,15-16,19-26H2,1-8H3,(H,49,56)(H,50,63)(H,51,60)(H,52,62)(H,53,61)(H,58,59)/t29-,31+,32?,33?,34+,35+,37?,39+,40+/m1/s1
+CH$LINK: PUBCHEM CID:101656813
+CH$LINK: INCHIKEY QOZZMIMTOTZWNP-SXJCRJPTSA-N
+CH$LINK: CHEMSPIDER 78436453
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-981
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.760 min
+MS$FOCUSED_ION: BASE_PEAK 955.5526
+MS$FOCUSED_ION: PRECURSOR_M/Z 941.5353
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-059i-0000090075-c4c9474678e127bf43ac
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  535.288 C39H37NO- 7 535.2881 -0.15
+  808.4252 C41H58N7O10- 5 808.4251 0.2
+  923.5239 C47H71N8O11- 1 923.5248 -0.96
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  535.288 371479 999
+  808.4252 323935.8 871
+  923.5239 218346.9 587
+//
diff --git a/Eawag/MSBNK-EAWAG-EC060354.txt b/Eawag/MSBNK-EAWAG-EC060354.txt
new file mode 100644
index 0000000000..8e11a631e6
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC060354.txt
@@ -0,0 +1,51 @@
+ACCESSION: MSBNK-EAWAG-EC060354
+RECORD_TITLE: Cyanopeptolin C; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 603
+CH$NAME: Cyanopeptolin C
+CH$NAME: 4-[[(2S,5S,8S,11R,12S,15S)-5-benzyl-21-hydroxy-4,11-dimethyl-15-[4-(methylamino)butyl]-2-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-3-(hexanoylamino)-4-oxobutanoic acid
+CH$NAME: (3S)-4-[[(2S,5S,8S,11R,12S,15S,18S,21R)-5-benzyl-21-hydroxy-4,11-dimethyl-15-[4-(methylamino)butyl]-2-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-3-(hexanoylamino)-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C47H74N8O12
+CH$EXACT_MASS: 942.5426198
+CH$SMILES: CCCCCC(=O)NC(CC(=O)O)C(=O)N[C@H]1[C@H](OC(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](N2C(CCC(C2=O)NC(=O)[C@@H](NC1=O)CCCCNC)O)CC(C)C)C)CC3=CC=CC=C3)C(C)C)C
+CH$IUPAC: InChI=1S/C47H74N8O12/c1-9-10-12-20-36(56)49-33(26-38(58)59)42(61)53-40-29(6)67-47(66)39(28(4)5)52-43(62)34(25-30-17-13-11-14-18-30)54(8)46(65)35(24-27(2)3)55-37(57)22-21-32(45(55)64)51-41(60)31(50-44(40)63)19-15-16-23-48-7/h11,13-14,17-18,27-29,31-35,37,39-40,48,57H,9-10,12,15-16,19-26H2,1-8H3,(H,49,56)(H,50,63)(H,51,60)(H,52,62)(H,53,61)(H,58,59)/t29-,31+,32?,33?,34+,35+,37?,39+,40+/m1/s1
+CH$LINK: PUBCHEM CID:101656813
+CH$LINK: INCHIKEY QOZZMIMTOTZWNP-SXJCRJPTSA-N
+CH$LINK: CHEMSPIDER 78436453
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-981
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.760 min
+MS$FOCUSED_ION: BASE_PEAK 955.5526
+MS$FOCUSED_ION: PRECURSOR_M/Z 941.5353
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0a4i-0103000090-416a3acabcefbfe63381
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  179.0454 C8H7N2O3- 2 179.0462 -4.79
+  277.1558 C15H21N2O3- 2 277.1558 0.21
+  365.1823 C17H25N4O5- 3 365.183 -2.12
+  808.425 C41H58N7O10- 4 808.4251 -0.1
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  179.0454 58845.5 160
+  277.1558 33529.7 91
+  365.1823 125619.6 342
+  808.425 366271.7 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC060501.txt b/Eawag/MSBNK-EAWAG-EC060501.txt
new file mode 100644
index 0000000000..566c2b4886
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC060501.txt
@@ -0,0 +1,44 @@
+ACCESSION: MSBNK-EAWAG-EC060501
+RECORD_TITLE: Micropeptin K139; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.aquatox.2023.106689
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 605
+CH$NAME: Micropeptin K139
+CH$NAME: (R)-4-(((1R,2R,5S,8S,11R,12S,15S,18S,21R)-2-((R)-sec-butyl)-8-((S)-sec-butyl)-15-(3-guanidinopropyl)-21-hydroxy-5-(4-hydroxybenzyl)-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-hexanamido-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C47H74N10O13
+CH$EXACT_MASS: 986.5436824
+CH$SMILES: O=C([C@@H](NC([C@H](NC(CCCCC)=O)CC(O)=O)=O)[C@@H](C)OC1=O)N[C@H](C(N[C@@H]2C([N@@]([C@@H](CC2)O)[C@H]([C@H](C)CC)C(N(C)[C@@H](CC3=CC=C(C=C3)O)C(N[C@H]1[C@H](CC)C)=O)=O)=O)=O)CCCNC(N)=N
+CH$IUPAC: InChI=1S/C47H74N10O13/c1-8-11-12-15-34(59)51-32(24-36(61)62)41(64)55-38-27(6)70-46(69)37(25(4)9-2)54-42(65)33(23-28-16-18-29(58)19-17-28)56(7)45(68)39(26(5)10-3)57-35(60)21-20-31(44(57)67)53-40(63)30(52-43(38)66)14-13-22-50-47(48)49/h16-19,25-27,30-33,35,37-39,58,60H,8-15,20-24H2,1-7H3,(H,51,59)(H,52,66)(H,53,63)(H,54,65)(H,55,64)(H,61,62)(H4,48,49,50)/t25-,26+,27+,30-,31-,32+,33-,35+,37-,38-,39+/m0/s1
+CH$LINK: PUBCHEM CID:101096212
+CH$LINK: INCHIKEY ROTFFYYCARWRHQ-WNRHWPMLSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1028
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.887 min
+MS$FOCUSED_ION: BASE_PEAK 987.5487
+MS$FOCUSED_ION: PRECURSOR_M/Z 987.551
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-000i-0000000009-7909c1a7101cdc15bb2f
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  987.5496 C47H75N10O13+ 1 987.551 -1.4
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  987.5496 94314680 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC060502.txt b/Eawag/MSBNK-EAWAG-EC060502.txt
new file mode 100644
index 0000000000..d12f68e591
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC060502.txt
@@ -0,0 +1,48 @@
+ACCESSION: MSBNK-EAWAG-EC060502
+RECORD_TITLE: Micropeptin K139; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.aquatox.2023.106689
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 605
+CH$NAME: Micropeptin K139
+CH$NAME: (R)-4-(((1R,2R,5S,8S,11R,12S,15S,18S,21R)-2-((R)-sec-butyl)-8-((S)-sec-butyl)-15-(3-guanidinopropyl)-21-hydroxy-5-(4-hydroxybenzyl)-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-hexanamido-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C47H74N10O13
+CH$EXACT_MASS: 986.5436824
+CH$SMILES: O=C([C@@H](NC([C@H](NC(CCCCC)=O)CC(O)=O)=O)[C@@H](C)OC1=O)N[C@H](C(N[C@@H]2C([N@@]([C@@H](CC2)O)[C@H]([C@H](C)CC)C(N(C)[C@@H](CC3=CC=C(C=C3)O)C(N[C@H]1[C@H](CC)C)=O)=O)=O)=O)CCCNC(N)=N
+CH$IUPAC: InChI=1S/C47H74N10O13/c1-8-11-12-15-34(59)51-32(24-36(61)62)41(64)55-38-27(6)70-46(69)37(25(4)9-2)54-42(65)33(23-28-16-18-29(58)19-17-28)56(7)45(68)39(26(5)10-3)57-35(60)21-20-31(44(57)67)53-40(63)30(52-43(38)66)14-13-22-50-47(48)49/h16-19,25-27,30-33,35,37-39,58,60H,8-15,20-24H2,1-7H3,(H,51,59)(H,52,66)(H,53,63)(H,54,65)(H,55,64)(H,61,62)(H4,48,49,50)/t25-,26+,27+,30-,31-,32+,33-,35+,37-,38-,39+/m0/s1
+CH$LINK: PUBCHEM CID:101096212
+CH$LINK: INCHIKEY ROTFFYYCARWRHQ-WNRHWPMLSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1028
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.887 min
+MS$FOCUSED_ION: BASE_PEAK 987.5487
+MS$FOCUSED_ION: PRECURSOR_M/Z 987.551
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-000i-0000000109-7fcd1088bc9e425f084f
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  774.449 C36H64N5O13+ 6 774.4495 -0.65
+  969.5438 C47H73N10O12+ 1 969.5404 3.56
+  987.5486 C47H75N10O13+ 1 987.551 -2.39
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  774.449 9562498 156
+  969.5438 10644314 174
+  987.5486 60892724 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC060503.txt b/Eawag/MSBNK-EAWAG-EC060503.txt
new file mode 100644
index 0000000000..42dac3c8ab
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC060503.txt
@@ -0,0 +1,50 @@
+ACCESSION: MSBNK-EAWAG-EC060503
+RECORD_TITLE: Micropeptin K139; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.aquatox.2023.106689
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 605
+CH$NAME: Micropeptin K139
+CH$NAME: (R)-4-(((1R,2R,5S,8S,11R,12S,15S,18S,21R)-2-((R)-sec-butyl)-8-((S)-sec-butyl)-15-(3-guanidinopropyl)-21-hydroxy-5-(4-hydroxybenzyl)-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-hexanamido-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C47H74N10O13
+CH$EXACT_MASS: 986.5436824
+CH$SMILES: O=C([C@@H](NC([C@H](NC(CCCCC)=O)CC(O)=O)=O)[C@@H](C)OC1=O)N[C@H](C(N[C@@H]2C([N@@]([C@@H](CC2)O)[C@H]([C@H](C)CC)C(N(C)[C@@H](CC3=CC=C(C=C3)O)C(N[C@H]1[C@H](CC)C)=O)=O)=O)=O)CCCNC(N)=N
+CH$IUPAC: InChI=1S/C47H74N10O13/c1-8-11-12-15-34(59)51-32(24-36(61)62)41(64)55-38-27(6)70-46(69)37(25(4)9-2)54-42(65)33(23-28-16-18-29(58)19-17-28)56(7)45(68)39(26(5)10-3)57-35(60)21-20-31(44(57)67)53-40(63)30(52-43(38)66)14-13-22-50-47(48)49/h16-19,25-27,30-33,35,37-39,58,60H,8-15,20-24H2,1-7H3,(H,51,59)(H,52,66)(H,53,63)(H,54,65)(H,55,64)(H,61,62)(H4,48,49,50)/t25-,26+,27+,30-,31-,32+,33-,35+,37-,38-,39+/m0/s1
+CH$LINK: PUBCHEM CID:101096212
+CH$LINK: INCHIKEY ROTFFYYCARWRHQ-WNRHWPMLSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1028
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.887 min
+MS$FOCUSED_ION: BASE_PEAK 987.5487
+MS$FOCUSED_ION: PRECURSOR_M/Z 987.551
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-05n0-0000100209-c82dfd2d46f284832dd1
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  400.2221 C20H28N6O3+ 6 400.2217 0.83
+  756.4403 C39H60N6O9+ 8 756.4416 -1.8
+  969.5405 C47H73N10O12+ 1 969.5404 0.1
+  987.549 C47H75N10O13+ 1 987.551 -1.96
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  400.2221 4906912 210
+  756.4403 11798473 506
+  969.5405 12802464 549
+  987.549 23279522 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC060504.txt b/Eawag/MSBNK-EAWAG-EC060504.txt
new file mode 100644
index 0000000000..823d48a4f9
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC060504.txt
@@ -0,0 +1,66 @@
+ACCESSION: MSBNK-EAWAG-EC060504
+RECORD_TITLE: Micropeptin K139; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.aquatox.2023.106689
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 605
+CH$NAME: Micropeptin K139
+CH$NAME: (R)-4-(((1R,2R,5S,8S,11R,12S,15S,18S,21R)-2-((R)-sec-butyl)-8-((S)-sec-butyl)-15-(3-guanidinopropyl)-21-hydroxy-5-(4-hydroxybenzyl)-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-hexanamido-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C47H74N10O13
+CH$EXACT_MASS: 986.5436824
+CH$SMILES: O=C([C@@H](NC([C@H](NC(CCCCC)=O)CC(O)=O)=O)[C@@H](C)OC1=O)N[C@H](C(N[C@@H]2C([N@@]([C@@H](CC2)O)[C@H]([C@H](C)CC)C(N(C)[C@@H](CC3=CC=C(C=C3)O)C(N[C@H]1[C@H](CC)C)=O)=O)=O)=O)CCCNC(N)=N
+CH$IUPAC: InChI=1S/C47H74N10O13/c1-8-11-12-15-34(59)51-32(24-36(61)62)41(64)55-38-27(6)70-46(69)37(25(4)9-2)54-42(65)33(23-28-16-18-29(58)19-17-28)56(7)45(68)39(26(5)10-3)57-35(60)21-20-31(44(57)67)53-40(63)30(52-43(38)66)14-13-22-50-47(48)49/h16-19,25-27,30-33,35,37-39,58,60H,8-15,20-24H2,1-7H3,(H,51,59)(H,52,66)(H,53,63)(H,54,65)(H,55,64)(H,61,62)(H4,48,49,50)/t25-,26+,27+,30-,31-,32+,33-,35+,37-,38-,39+/m0/s1
+CH$LINK: PUBCHEM CID:101096212
+CH$LINK: INCHIKEY ROTFFYYCARWRHQ-WNRHWPMLSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1028
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.887 min
+MS$FOCUSED_ION: BASE_PEAK 987.5487
+MS$FOCUSED_ION: PRECURSOR_M/Z 987.551
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0pb9-0740800900-4c929e02bb4a4613ad28
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  70.065 C4H8N+ 1 70.0651 -1.79
+  112.0867 C5H10N3+ 1 112.0869 -1.99
+  153.1382 C9H17N2+ 1 153.1386 -3.04
+  164.1063 C8H12N4+ 2 164.1056 4.26
+  181.1324 C8H15N5+ 1 181.1322 0.89
+  209.1272 C9H15N5O+ 1 209.1271 0.26
+  223.1182 C9H19O6+ 3 223.1176 2.53
+  240.1452 C9H22NO6+ 3 240.1442 4.23
+  400.2224 C20H28N6O3+ 4 400.2217 1.67
+  436.2184 C19H34NO10+ 8 436.2177 1.5
+  453.2452 C19H37N2O10+ 7 453.2443 1.97
+  756.4386 C39H60N6O9+ 7 756.4416 -4.06
+PK$NUM_PEAK: 12
+PK$PEAK: m/z int. rel.int.
+  70.065 1089791.9 58
+  112.0867 1416600.9 76
+  153.1382 587549.4 31
+  164.1063 11317216 607
+  181.1324 2731697.5 146
+  209.1272 5061028 271
+  223.1182 2262039.8 121
+  240.1452 1034572.6 55
+  400.2224 13487153 723
+  436.2184 1434502.8 76
+  453.2452 2797441.5 150
+  756.4386 18619780 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC060505.txt b/Eawag/MSBNK-EAWAG-EC060505.txt
new file mode 100644
index 0000000000..09b6719371
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC060505.txt
@@ -0,0 +1,86 @@
+ACCESSION: MSBNK-EAWAG-EC060505
+RECORD_TITLE: Micropeptin K139; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.aquatox.2023.106689
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 605
+CH$NAME: Micropeptin K139
+CH$NAME: (R)-4-(((1R,2R,5S,8S,11R,12S,15S,18S,21R)-2-((R)-sec-butyl)-8-((S)-sec-butyl)-15-(3-guanidinopropyl)-21-hydroxy-5-(4-hydroxybenzyl)-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-hexanamido-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C47H74N10O13
+CH$EXACT_MASS: 986.5436824
+CH$SMILES: O=C([C@@H](NC([C@H](NC(CCCCC)=O)CC(O)=O)=O)[C@@H](C)OC1=O)N[C@H](C(N[C@@H]2C([N@@]([C@@H](CC2)O)[C@H]([C@H](C)CC)C(N(C)[C@@H](CC3=CC=C(C=C3)O)C(N[C@H]1[C@H](CC)C)=O)=O)=O)=O)CCCNC(N)=N
+CH$IUPAC: InChI=1S/C47H74N10O13/c1-8-11-12-15-34(59)51-32(24-36(61)62)41(64)55-38-27(6)70-46(69)37(25(4)9-2)54-42(65)33(23-28-16-18-29(58)19-17-28)56(7)45(68)39(26(5)10-3)57-35(60)21-20-31(44(57)67)53-40(63)30(52-43(38)66)14-13-22-50-47(48)49/h16-19,25-27,30-33,35,37-39,58,60H,8-15,20-24H2,1-7H3,(H,51,59)(H,52,66)(H,53,63)(H,54,65)(H,55,64)(H,61,62)(H4,48,49,50)/t25-,26+,27+,30-,31-,32+,33-,35+,37-,38-,39+/m0/s1
+CH$LINK: PUBCHEM CID:101096212
+CH$LINK: INCHIKEY ROTFFYYCARWRHQ-WNRHWPMLSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1028
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.887 min
+MS$FOCUSED_ION: BASE_PEAK 987.5487
+MS$FOCUSED_ION: PRECURSOR_M/Z 987.551
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03di-2930100000-c4a37821b9680838def3
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  70.065 C4H8N+ 1 70.0651 -1.57
+  72.0807 C4H10N+ 1 72.0808 -1.41
+  84.0444 C4H6NO+ 1 84.0444 -0.38
+  86.0962 C5H12N+ 1 86.0964 -2.75
+  88.0391 C3H6NO2+ 1 88.0393 -2.5
+  112.0866 C5H10N3+ 1 112.0869 -2.74
+  112.1118 C7H14N+ 1 112.1121 -2.04
+  113.0706 C5H9N2O+ 1 113.0709 -2.88
+  115.0861 C5H11N2O+ 1 115.0866 -4
+  124.1119 C8H14N+ 1 124.1121 -1.7
+  157.108 C6H13N4O+ 1 157.1084 -2.54
+  164.1061 C8H12N4+ 1 164.1056 3.05
+  181.1326 C8H15N5+ 1 181.1322 2.24
+  192.1005 C9H12N4O+ 1 192.1006 -0.13
+  197.103 C8H13N4O2+ 1 197.1033 -1.53
+  209.1274 C9H15N5O+ 2 209.1271 1.58
+  214.1065 C8H14N4O3+ 2 214.106 2.35
+  223.1179 C9H19O6+ 3 223.1176 1.23
+  241.1285 C9H21O7+ 3 241.1282 1.18
+  288.1588 C2H28N2O13+ 5 288.1586 0.69
+  400.2216 C20H28N6O3+ 6 400.2217 -0.24
+  436.218 C19H34NO10+ 6 436.2177 0.73
+PK$NUM_PEAK: 22
+PK$PEAK: m/z int. rel.int.
+  70.065 15511661 365
+  72.0807 1876697.4 44
+  84.0444 613992.4 14
+  86.0962 6911364 162
+  88.0391 2173504.8 51
+  112.0866 6710589 158
+  112.1118 1052317.4 24
+  113.0706 4699247 110
+  115.0861 2452495.2 57
+  124.1119 983632 23
+  157.108 833740.9 19
+  164.1061 42364120 999
+  181.1326 15492640 365
+  192.1005 5025551 118
+  197.103 2667875.2 62
+  209.1274 8336267.5 196
+  214.1065 2340565.5 55
+  223.1179 7503488 176
+  241.1285 4037549 95
+  288.1588 7091835 167
+  400.2216 3811635.5 89
+  436.218 5477332 129
+//
diff --git a/Eawag/MSBNK-EAWAG-EC060506.txt b/Eawag/MSBNK-EAWAG-EC060506.txt
new file mode 100644
index 0000000000..49ed8c0c7b
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC060506.txt
@@ -0,0 +1,130 @@
+ACCESSION: MSBNK-EAWAG-EC060506
+RECORD_TITLE: Micropeptin K139; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.aquatox.2023.106689
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 605
+CH$NAME: Micropeptin K139
+CH$NAME: (R)-4-(((1R,2R,5S,8S,11R,12S,15S,18S,21R)-2-((R)-sec-butyl)-8-((S)-sec-butyl)-15-(3-guanidinopropyl)-21-hydroxy-5-(4-hydroxybenzyl)-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-hexanamido-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C47H74N10O13
+CH$EXACT_MASS: 986.5436824
+CH$SMILES: O=C([C@@H](NC([C@H](NC(CCCCC)=O)CC(O)=O)=O)[C@@H](C)OC1=O)N[C@H](C(N[C@@H]2C([N@@]([C@@H](CC2)O)[C@H]([C@H](C)CC)C(N(C)[C@@H](CC3=CC=C(C=C3)O)C(N[C@H]1[C@H](CC)C)=O)=O)=O)=O)CCCNC(N)=N
+CH$IUPAC: InChI=1S/C47H74N10O13/c1-8-11-12-15-34(59)51-32(24-36(61)62)41(64)55-38-27(6)70-46(69)37(25(4)9-2)54-42(65)33(23-28-16-18-29(58)19-17-28)56(7)45(68)39(26(5)10-3)57-35(60)21-20-31(44(57)67)53-40(63)30(52-43(38)66)14-13-22-50-47(48)49/h16-19,25-27,30-33,35,37-39,58,60H,8-15,20-24H2,1-7H3,(H,51,59)(H,52,66)(H,53,63)(H,54,65)(H,55,64)(H,61,62)(H4,48,49,50)/t25-,26+,27+,30-,31-,32+,33-,35+,37-,38-,39+/m0/s1
+CH$LINK: PUBCHEM CID:101096212
+CH$LINK: INCHIKEY ROTFFYYCARWRHQ-WNRHWPMLSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1028
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.887 min
+MS$FOCUSED_ION: BASE_PEAK 987.5487
+MS$FOCUSED_ION: PRECURSOR_M/Z 987.551
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03ki-4910000000-96d0a7c2fe741ca9c14d
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  56.0493 C3H6N+ 1 56.0495 -2.53
+  68.0494 C4H6N+ 1 68.0495 -1.3
+  69.0698 C5H9+ 1 69.0699 -1.3
+  70.065 C4H8N+ 1 70.0651 -1.79
+  72.0807 C4H10N+ 1 72.0808 -1.09
+  74.0599 C3H8NO+ 1 74.06 -1.56
+  84.0444 C4H6NO+ 1 84.0444 -0.48
+  84.0805 C5H10N+ 1 84.0808 -3.84
+  85.0758 C4H9N2+ 1 85.076 -3.17
+  86.0962 C5H12N+ 1 86.0964 -2.22
+  88.0392 C3H6NO2+ 1 88.0393 -1.55
+  101.0709 C4H9N2O+ 1 101.0709 -0.79
+  112.0866 C5H10N3+ 1 112.0869 -3.15
+  112.1115 C7H14N+ 1 112.1121 -4.69
+  113.0706 C5H9N2O+ 1 113.0709 -3.08
+  114.0546 C5H8NO2+ 1 114.055 -3.08
+  115.0862 C5H11N2O+ 1 115.0866 -3.34
+  121.0643 C8H9O+ 1 121.0648 -4.4
+  124.1117 C8H14N+ 1 124.1121 -3.23
+  125.0707 C6H9N2O+ 1 125.0709 -1.57
+  135.0797 C7H9N3+ 1 135.0791 4.32
+  136.1116 C9H14N+ 1 136.1121 -3.61
+  138.0656 C6H8N3O+ 1 138.0662 -4.45
+  141.1016 C7H13N2O+ 1 141.1022 -4.4
+  149.0703 C6H7N5+ 2 149.0696 4.95
+  153.065 C5H7N5O+ 1 153.0645 3.05
+  153.1017 C8H13N2O+ 1 153.1022 -3.28
+  153.1379 C9H17N2+ 1 153.1386 -4.83
+  157.1079 C6H13N4O+ 1 157.1084 -3.31
+  164.1062 C8H12N4+ 2 164.1056 3.23
+  178.0969 C9H12N3O+ 2 178.0975 -3.28
+  180.1117 C7H12N6+ 1 180.1118 -0.45
+  181.1325 C8H15N5+ 1 181.1322 1.65
+  192.1002 C9H12N4O+ 3 192.1006 -2.04
+  195.1235 C8H19O5+ 3 195.1227 4.32
+  197.1024 C8H13N4O2+ 3 197.1033 -4.39
+  199.0705 C6H9N5O3+ 2 199.07 2.46
+  209.1273 C9H15N5O+ 1 209.1271 1.07
+  214.106 C8H14N4O3+ 1 214.106 -0.29
+  216.0975 C6H12N6O3+ 2 216.0965 4.36
+  223.1179 C9H19O6+ 3 223.1176 1.3
+  241.1282 C9H21O7+ 2 241.1282 0.16
+  288.1579 CH22N9O8+ 6 288.1586 -2.26
+  338.1459 C14H20N5O5+ 6 338.1459 0.08
+PK$NUM_PEAK: 44
+PK$PEAK: m/z int. rel.int.
+  56.0493 1576854 20
+  68.0494 5238567.5 67
+  69.0698 1609471.5 20
+  70.065 48157092 624
+  72.0807 6233107.5 80
+  74.0599 4179899.5 54
+  84.0444 2706533.2 35
+  84.0805 2114304 27
+  85.0758 1917801.2 24
+  86.0962 23201642 300
+  88.0392 11000541 142
+  101.0709 1271234.9 16
+  112.0866 13349080 173
+  112.1115 2872756.2 37
+  113.0706 11986422 155
+  114.0546 1801191.8 23
+  115.0862 6558023.5 85
+  121.0643 5273275.5 68
+  124.1117 3967679.8 51
+  125.0707 1126093.6 14
+  135.0797 3200428.5 41
+  136.1116 8321712.5 107
+  138.0656 7165445 92
+  141.1016 1449781.4 18
+  149.0703 1648007.2 21
+  153.065 3435154.2 44
+  153.1017 1815754.9 23
+  153.1379 7442325 96
+  157.1079 2590382 33
+  164.1062 77017840 999
+  178.0969 1553638.4 20
+  180.1117 1816440.9 23
+  181.1325 18885398 244
+  192.1002 7083169.5 91
+  195.1235 3154691.8 40
+  197.1024 5308487.5 68
+  199.0705 5897658.5 76
+  209.1273 4150867 53
+  214.106 3203526.8 41
+  216.0975 1993952.6 25
+  223.1179 8668849 112
+  241.1282 4749899.5 61
+  288.1579 8718935 113
+  338.1459 4216753 54
+//
diff --git a/Eawag/MSBNK-EAWAG-EC060507.txt b/Eawag/MSBNK-EAWAG-EC060507.txt
new file mode 100644
index 0000000000..9f048698df
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC060507.txt
@@ -0,0 +1,144 @@
+ACCESSION: MSBNK-EAWAG-EC060507
+RECORD_TITLE: Micropeptin K139; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.aquatox.2023.106689
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 605
+CH$NAME: Micropeptin K139
+CH$NAME: (R)-4-(((1R,2R,5S,8S,11R,12S,15S,18S,21R)-2-((R)-sec-butyl)-8-((S)-sec-butyl)-15-(3-guanidinopropyl)-21-hydroxy-5-(4-hydroxybenzyl)-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-hexanamido-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C47H74N10O13
+CH$EXACT_MASS: 986.5436824
+CH$SMILES: O=C([C@@H](NC([C@H](NC(CCCCC)=O)CC(O)=O)=O)[C@@H](C)OC1=O)N[C@H](C(N[C@@H]2C([N@@]([C@@H](CC2)O)[C@H]([C@H](C)CC)C(N(C)[C@@H](CC3=CC=C(C=C3)O)C(N[C@H]1[C@H](CC)C)=O)=O)=O)=O)CCCNC(N)=N
+CH$IUPAC: InChI=1S/C47H74N10O13/c1-8-11-12-15-34(59)51-32(24-36(61)62)41(64)55-38-27(6)70-46(69)37(25(4)9-2)54-42(65)33(23-28-16-18-29(58)19-17-28)56(7)45(68)39(26(5)10-3)57-35(60)21-20-31(44(57)67)53-40(63)30(52-43(38)66)14-13-22-50-47(48)49/h16-19,25-27,30-33,35,37-39,58,60H,8-15,20-24H2,1-7H3,(H,51,59)(H,52,66)(H,53,63)(H,54,65)(H,55,64)(H,61,62)(H4,48,49,50)/t25-,26+,27+,30-,31-,32+,33-,35+,37-,38-,39+/m0/s1
+CH$LINK: PUBCHEM CID:101096212
+CH$LINK: INCHIKEY ROTFFYYCARWRHQ-WNRHWPMLSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1028
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.887 min
+MS$FOCUSED_ION: BASE_PEAK 987.5487
+MS$FOCUSED_ION: PRECURSOR_M/Z 987.551
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03k9-8900000000-0342a6457822631589ba
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  55.0543 C4H7+ 1 55.0542 1
+  56.0494 C3H6N+ 1 56.0495 -1.51
+  58.065 C3H8N+ 1 58.0651 -2.1
+  68.0493 C4H6N+ 1 68.0495 -1.98
+  69.0334 C4H5O+ 1 69.0335 -1.84
+  69.0698 C5H9+ 1 69.0699 -0.97
+  70.065 C4H8N+ 1 70.0651 -1.36
+  71.0853 C5H11+ 1 71.0855 -3.15
+  72.0807 C4H10N+ 1 72.0808 -1.09
+  74.0599 C3H8NO+ 1 74.06 -1.87
+  80.0494 C5H6N+ 1 80.0495 -1.48
+  84.0443 C4H6NO+ 1 84.0444 -0.66
+  84.0807 C5H10N+ 1 84.0808 -1.3
+  85.0758 C4H9N2+ 1 85.076 -2.27
+  86.0597 C4H8NO+ 1 86.06 -3.45
+  86.0963 C5H12N+ 1 86.0964 -1.69
+  88.0392 C3H6NO2+ 1 88.0393 -1.72
+  95.06 C5H7N2+ 1 95.0604 -3.77
+  96.0442 C5H6NO+ 1 96.0444 -2.34
+  97.0758 C5H9N2+ 1 97.076 -2.78
+  98.06 C5H8NO+ 1 98.06 -0.78
+  99.08 C6H11O+ 1 99.0804 -4.31
+  101.0706 C4H9N2O+ 1 101.0709 -2.98
+  112.0866 C5H10N3+ 1 112.0869 -2.81
+  112.1116 C7H14N+ 1 112.1121 -4.22
+  113.0707 C5H9N2O+ 1 113.0709 -2.41
+  115.0862 C5H11N2O+ 1 115.0866 -3.07
+  121.0644 C8H9O+ 1 121.0648 -2.95
+  124.1116 C8H14N+ 1 124.1121 -4.03
+  125.0709 C6H9N2O+ 1 125.0709 -0.23
+  132.0803 C9H10N+ 1 132.0808 -3.33
+  135.0801 C9H11O+ 1 135.0804 -2.45
+  136.0392 C7H6NO2+ 1 136.0393 -1.02
+  136.1116 C9H14N+ 1 136.1121 -3.27
+  138.0537 C5H6N4O+ 1 138.0536 0.54
+  138.0655 C6H8N3O+ 2 138.0662 -4.78
+  140.0813 C6H10N3O+ 1 140.0818 -3.53
+  141.1018 C7H13N2O+ 1 141.1022 -2.88
+  150.102 C8H12N3+ 1 150.1026 -3.9
+  153.0652 C5H7N5O+ 2 153.0645 4.35
+  153.1015 C8H13N2O+ 2 153.1022 -4.98
+  153.1379 C9H17N2+ 1 153.1386 -4.63
+  164.1062 C8H12N4+ 2 164.1056 3.42
+  170.0916 C5H10N6O+ 2 170.0911 3.08
+  181.1325 C8H15N5+ 1 181.1322 1.82
+  188.106 C10H12N4+ 1 188.1056 1.97
+  195.1229 C8H19O5+ 2 195.1227 0.88
+  197.1028 C8H13N4O2+ 3 197.1033 -2.53
+  199.0704 C6H9N5O3+ 2 199.07 2
+  216.0967 C6H12N6O3+ 1 216.0965 0.69
+  241.1285 C9H21O7+ 3 241.1282 1.3
+PK$NUM_PEAK: 51
+PK$PEAK: m/z int. rel.int.
+  55.0543 712856.3 11
+  56.0494 3902507.2 62
+  58.065 1269622 20
+  68.0493 11013304 175
+  69.0334 1247615.1 19
+  69.0698 3204794.8 51
+  70.065 54120304 863
+  71.0853 1905529.9 30
+  72.0807 7294008.5 116
+  74.0599 4681020.5 74
+  80.0494 2363626.5 37
+  84.0443 3268137.5 52
+  84.0807 2093245.1 33
+  85.0758 2112857 33
+  86.0597 1365539.8 21
+  86.0963 18575208 296
+  88.0392 15027480 239
+  95.06 3976505.5 63
+  96.0442 1359309.9 21
+  97.0758 1371003.5 21
+  98.06 1185582.6 18
+  99.08 697397 11
+  101.0706 1052543.4 16
+  112.0866 11259436 179
+  112.1116 2081571 33
+  113.0707 11356571 181
+  115.0862 6130109 97
+  121.0644 6542454 104
+  124.1116 4253774 67
+  125.0709 2046367.4 32
+  132.0803 1376995.9 21
+  135.0801 4203531 67
+  136.0392 1181564.8 18
+  136.1116 7332570 116
+  138.0537 932964.1 14
+  138.0655 5353282.5 85
+  140.0813 1507981.2 24
+  141.1018 1420836.5 22
+  150.102 925056.4 14
+  153.0652 4039050 64
+  153.1015 1696428.8 27
+  153.1379 3514269 56
+  164.1062 62622768 999
+  170.0916 1031725.9 16
+  181.1325 5986687 95
+  188.106 1327970 21
+  195.1229 1280658.5 20
+  197.1028 2457069 39
+  199.0704 3550222.5 56
+  216.0967 1031839.5 16
+  241.1285 1278411.2 20
+//
diff --git a/Eawag/MSBNK-EAWAG-EC060508.txt b/Eawag/MSBNK-EAWAG-EC060508.txt
new file mode 100644
index 0000000000..be93c7aa5f
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC060508.txt
@@ -0,0 +1,160 @@
+ACCESSION: MSBNK-EAWAG-EC060508
+RECORD_TITLE: Micropeptin K139; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.aquatox.2023.106689
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 605
+CH$NAME: Micropeptin K139
+CH$NAME: (R)-4-(((1R,2R,5S,8S,11R,12S,15S,18S,21R)-2-((R)-sec-butyl)-8-((S)-sec-butyl)-15-(3-guanidinopropyl)-21-hydroxy-5-(4-hydroxybenzyl)-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-hexanamido-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C47H74N10O13
+CH$EXACT_MASS: 986.5436824
+CH$SMILES: O=C([C@@H](NC([C@H](NC(CCCCC)=O)CC(O)=O)=O)[C@@H](C)OC1=O)N[C@H](C(N[C@@H]2C([N@@]([C@@H](CC2)O)[C@H]([C@H](C)CC)C(N(C)[C@@H](CC3=CC=C(C=C3)O)C(N[C@H]1[C@H](CC)C)=O)=O)=O)=O)CCCNC(N)=N
+CH$IUPAC: InChI=1S/C47H74N10O13/c1-8-11-12-15-34(59)51-32(24-36(61)62)41(64)55-38-27(6)70-46(69)37(25(4)9-2)54-42(65)33(23-28-16-18-29(58)19-17-28)56(7)45(68)39(26(5)10-3)57-35(60)21-20-31(44(57)67)53-40(63)30(52-43(38)66)14-13-22-50-47(48)49/h16-19,25-27,30-33,35,37-39,58,60H,8-15,20-24H2,1-7H3,(H,51,59)(H,52,66)(H,53,63)(H,54,65)(H,55,64)(H,61,62)(H4,48,49,50)/t25-,26+,27+,30-,31-,32+,33-,35+,37-,38-,39+/m0/s1
+CH$LINK: PUBCHEM CID:101096212
+CH$LINK: INCHIKEY ROTFFYYCARWRHQ-WNRHWPMLSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1028
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.887 min
+MS$FOCUSED_ION: BASE_PEAK 987.5487
+MS$FOCUSED_ION: PRECURSOR_M/Z 987.551
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-022i-9700000000-4038dbbf10502c0f0ddb
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  55.0542 C4H7+ 1 55.0542 -1.15
+  56.0493 C3H6N+ 1 56.0495 -2.4
+  58.065 C3H8N+ 1 58.0651 -1.96
+  60.0555 CH6N3+ 1 60.0556 -2.86
+  68.0493 C4H6N+ 1 68.0495 -2.09
+  69.0335 C4H5O+ 1 69.0335 0.03
+  69.0698 C5H9+ 1 69.0699 -0.64
+  70.0287 C3H4NO+ 1 70.0287 -1.02
+  70.065 C4H8N+ 1 70.0651 -1.9
+  71.0854 C5H11+ 1 71.0855 -2.08
+  72.0806 C4H10N+ 1 72.0808 -2.26
+  74.0599 C3H8NO+ 1 74.06 -1.97
+  80.0493 C5H6N+ 1 80.0495 -2.24
+  82.065 C5H8N+ 1 82.0651 -1.23
+  83.0603 C4H7N2+ 1 83.0604 -1.37
+  84.0442 C4H6NO+ 1 84.0444 -2.56
+  84.0806 C5H10N+ 1 84.0808 -1.85
+  85.076 C4H9N2+ 1 85.076 -0.39
+  86.0599 C4H8NO+ 1 86.06 -1.95
+  86.0962 C5H12N+ 1 86.0964 -2.93
+  88.0391 C3H6NO2+ 1 88.0393 -2.5
+  94.0651 C6H8N+ 1 94.0651 -0.21
+  95.0602 C5H7N2+ 1 95.0604 -2.17
+  96.0441 C5H6NO+ 1 96.0444 -2.58
+  101.0707 C4H9N2O+ 1 101.0709 -2.37
+  105.0696 C8H9+ 1 105.0699 -2.72
+  108.0565 C7H8O+ 1 108.057 -4.22
+  111.055 C5H7N2O+ 1 111.0553 -2.68
+  112.0391 C5H6NO2+ 1 112.0393 -1.41
+  112.0866 C5H10N3+ 1 112.0869 -2.6
+  112.1121 C7H14N+ 1 112.1121 0.55
+  113.0706 C5H9N2O+ 1 113.0709 -2.61
+  114.0546 C5H8NO2+ 1 114.055 -3.22
+  114.1024 C5H12N3+ 1 114.1026 -1.84
+  115.0861 C5H11N2O+ 1 115.0866 -3.93
+  117.057 C8H7N+ 1 117.0573 -2.73
+  121.0646 C8H9O+ 1 121.0648 -1.94
+  123.0798 C8H11O+ 1 123.0804 -4.84
+  124.1117 C8H14N+ 1 124.1121 -3.3
+  125.0705 C6H9N2O+ 1 125.0709 -3.64
+  129.0655 C5H9N2O2+ 1 129.0659 -2.85
+  132.0802 C9H10N+ 1 132.0808 -4.14
+  133.0881 C9H11N+ 1 133.0886 -4.05
+  135.0797 C7H9N3+ 1 135.0791 4.55
+  136.039 C7H6NO2+ 1 136.0393 -2.25
+  136.1116 C9H14N+ 1 136.1121 -3.16
+  138.0539 C5H6N4O+ 1 138.0536 1.98
+  138.0656 C6H8N3O+ 1 138.0662 -4.34
+  140.0812 C6H10N3O+ 1 140.0818 -4.3
+  141.1019 C7H13N2O+ 1 141.1022 -2.56
+  149.07 C6H7N5+ 1 149.0696 2.39
+  149.0831 C9H11NO+ 1 149.0835 -2.75
+  150.1023 C8H12N3+ 1 150.1026 -1.97
+  153.0652 C5H7N5O+ 2 153.0645 4.75
+  153.138 C9H17N2+ 1 153.1386 -4.24
+  164.1061 C8H12N4+ 1 164.1056 2.77
+  178.0967 C9H12N3O+ 2 178.0975 -4.31
+  197.1026 C8H13N4O2+ 3 197.1033 -3.62
+  199.0701 C6H9N5O3+ 1 199.07 0.62
+PK$NUM_PEAK: 59
+PK$PEAK: m/z int. rel.int.
+  55.0542 1484715.6 21
+  56.0493 6060902.5 87
+  58.065 1370371.8 19
+  60.0555 693987.4 10
+  68.0493 16294680 236
+  69.0335 2327631.8 33
+  69.0698 4446128 64
+  70.0287 3612903.8 52
+  70.065 68884416 999
+  71.0854 1849611.5 26
+  72.0806 6671047 96
+  74.0599 5997388.5 86
+  80.0493 3459362.2 50
+  82.065 1182583.5 17
+  83.0603 1256102.8 18
+  84.0442 4597536.5 66
+  84.0806 3221341.5 46
+  85.076 2447141.2 35
+  86.0599 1280176.8 18
+  86.0962 15046584 218
+  88.0391 18560686 269
+  94.0651 1046937.2 15
+  95.0602 6631004.5 96
+  96.0441 2254930 32
+  101.0707 1367267.1 19
+  105.0696 886793.6 12
+  108.0565 1492604.2 21
+  111.055 2962922.2 42
+  112.0391 1046295.7 15
+  112.0866 9010723 130
+  112.1121 1576852.5 22
+  113.0706 6884691.5 99
+  114.0546 1474675 21
+  114.1024 1149667.5 16
+  115.0861 5225564 75
+  117.057 1473288.4 21
+  121.0646 9323194 135
+  123.0798 1279775.5 18
+  124.1117 3559707.2 51
+  125.0705 4024047.2 58
+  129.0655 1821350.1 26
+  132.0802 3452107.2 50
+  133.0881 1707406 24
+  135.0797 5971628.5 86
+  136.039 1742636.6 25
+  136.1116 7077037 102
+  138.0539 805737.6 11
+  138.0656 4523901.5 65
+  140.0812 1246641 18
+  141.1019 1661511.2 24
+  149.07 2476212.5 35
+  149.0831 5433328.5 78
+  150.1023 1872089.2 27
+  153.0652 3208580.8 46
+  153.138 2000901.6 29
+  164.1061 49927188 724
+  178.0967 1264624.4 18
+  197.1026 814102.1 11
+  199.0701 1371025.1 19
+//
diff --git a/Eawag/MSBNK-EAWAG-EC060509.txt b/Eawag/MSBNK-EAWAG-EC060509.txt
new file mode 100644
index 0000000000..3b67bb37d1
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC060509.txt
@@ -0,0 +1,144 @@
+ACCESSION: MSBNK-EAWAG-EC060509
+RECORD_TITLE: Micropeptin K139; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.aquatox.2023.106689
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 605
+CH$NAME: Micropeptin K139
+CH$NAME: (R)-4-(((1R,2R,5S,8S,11R,12S,15S,18S,21R)-2-((R)-sec-butyl)-8-((S)-sec-butyl)-15-(3-guanidinopropyl)-21-hydroxy-5-(4-hydroxybenzyl)-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-hexanamido-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C47H74N10O13
+CH$EXACT_MASS: 986.5436824
+CH$SMILES: O=C([C@@H](NC([C@H](NC(CCCCC)=O)CC(O)=O)=O)[C@@H](C)OC1=O)N[C@H](C(N[C@@H]2C([N@@]([C@@H](CC2)O)[C@H]([C@H](C)CC)C(N(C)[C@@H](CC3=CC=C(C=C3)O)C(N[C@H]1[C@H](CC)C)=O)=O)=O)=O)CCCNC(N)=N
+CH$IUPAC: InChI=1S/C47H74N10O13/c1-8-11-12-15-34(59)51-32(24-36(61)62)41(64)55-38-27(6)70-46(69)37(25(4)9-2)54-42(65)33(23-28-16-18-29(58)19-17-28)56(7)45(68)39(26(5)10-3)57-35(60)21-20-31(44(57)67)53-40(63)30(52-43(38)66)14-13-22-50-47(48)49/h16-19,25-27,30-33,35,37-39,58,60H,8-15,20-24H2,1-7H3,(H,51,59)(H,52,66)(H,53,63)(H,54,65)(H,55,64)(H,61,62)(H4,48,49,50)/t25-,26+,27+,30-,31-,32+,33-,35+,37-,38-,39+/m0/s1
+CH$LINK: PUBCHEM CID:101096212
+CH$LINK: INCHIKEY ROTFFYYCARWRHQ-WNRHWPMLSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1028
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.887 min
+MS$FOCUSED_ION: BASE_PEAK 987.5487
+MS$FOCUSED_ION: PRECURSOR_M/Z 987.551
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00di-9500000000-7fe7365e528c168a42f5
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  55.0542 C4H7+ 1 55.0542 -0.87
+  56.0494 C3H6N+ 1 56.0495 -1.58
+  58.065 C3H8N+ 1 58.0651 -2.29
+  60.0555 CH6N3+ 1 60.0556 -2.1
+  68.0494 C4H6N+ 1 68.0495 -1.64
+  69.0334 C4H5O+ 1 69.0335 -1.95
+  69.0698 C5H9+ 1 69.0699 -0.75
+  70.0285 C3H4NO+ 1 70.0287 -3.42
+  70.065 C4H8N+ 1 70.0651 -1.68
+  71.0491 C4H7O+ 1 71.0491 -1.1
+  71.0854 C5H11+ 1 71.0855 -1.32
+  72.0807 C4H10N+ 1 72.0808 -0.67
+  74.0599 C3H8NO+ 1 74.06 -1.45
+  80.0494 C5H6N+ 1 80.0495 -0.81
+  82.0649 C5H8N+ 1 82.0651 -2.54
+  83.0603 C4H7N2+ 1 83.0604 -1.09
+  84.0442 C4H6NO+ 1 84.0444 -2.11
+  85.0759 C4H9N2+ 1 85.076 -1.64
+  86.06 C4H8NO+ 1 86.06 -0.88
+  86.0962 C5H12N+ 1 86.0964 -2.58
+  88.0391 C3H6NO2+ 1 88.0393 -1.81
+  94.0649 C6H8N+ 1 94.0651 -2
+  95.0601 C5H7N2+ 1 95.0604 -3.21
+  96.044 C5H6NO+ 1 96.0444 -3.69
+  97.0759 C5H9N2+ 1 97.076 -0.9
+  98.06 C5H8NO+ 1 98.06 -0.23
+  101.0704 C4H9N2O+ 1 101.0709 -4.94
+  105.0698 C8H9+ 1 105.0699 -1.19
+  108.0567 C7H8O+ 1 108.057 -2.66
+  110.0597 C6H8NO+ 1 110.06 -2.83
+  111.055 C5H7N2O+ 1 111.0553 -2.82
+  112.0393 C5H6NO2+ 1 112.0393 -0.25
+  112.0866 C5H10N3+ 1 112.0869 -2.94
+  113.0705 C5H9N2O+ 1 113.0709 -3.56
+  114.0547 C5H8NO2+ 1 114.055 -2.01
+  115.0862 C5H11N2O+ 1 115.0866 -3.54
+  117.0567 C8H7N+ 1 117.0573 -4.95
+  121.0645 C8H9O+ 1 121.0648 -2.76
+  123.0801 C8H11O+ 1 123.0804 -2.91
+  124.1116 C8H14N+ 1 124.1121 -4.03
+  125.0708 C6H9N2O+ 1 125.0709 -1.08
+  132.0802 C9H10N+ 1 132.0808 -4.14
+  133.088 C9H11N+ 1 133.0886 -4.62
+  135.0798 C9H11O+ 1 135.0804 -4.49
+  136.0388 C7H6NO2+ 1 136.0393 -3.48
+  138.0657 C6H8N3O+ 1 138.0662 -3.79
+  138.0909 C8H12NO+ 1 138.0913 -3.28
+  140.0815 C6H10N3O+ 1 140.0818 -2.45
+  149.0699 C6H7N5+ 1 149.0696 1.87
+  149.0831 C9H11NO+ 1 149.0835 -3.06
+  164.1062 C8H12N4+ 1 164.1056 3.14
+PK$NUM_PEAK: 51
+PK$PEAK: m/z int. rel.int.
+  55.0542 1440700.8 22
+  56.0494 6458807.5 101
+  58.065 1403676.6 21
+  60.0555 718961.6 11
+  68.0494 18574102 290
+  69.0334 2479349.5 38
+  69.0698 3895416.5 60
+  70.0285 3891143.5 60
+  70.065 63859068 999
+  71.0491 1100620.5 17
+  71.0854 1954959.5 30
+  72.0807 5005718 78
+  74.0599 4474138 69
+  80.0494 4527617.5 70
+  82.0649 1567394.5 24
+  83.0603 1540617.6 24
+  84.0442 3996149.8 62
+  85.0759 2353141.2 36
+  86.06 1143821 17
+  86.0962 9087469 142
+  88.0391 14813653 231
+  94.0649 1743674.4 27
+  95.0601 5659915 88
+  96.044 2442949.2 38
+  97.0759 2886356.5 45
+  98.06 1539058.5 24
+  101.0704 821893.2 12
+  105.0698 1505027.6 23
+  108.0567 1685829.2 26
+  110.0597 1007135.5 15
+  111.055 4028907.5 63
+  112.0393 1055635.2 16
+  112.0866 6790057 106
+  113.0705 2885864 45
+  114.0547 1392723.9 21
+  115.0862 2420530.8 37
+  117.0567 1336168.1 20
+  121.0645 8939307 139
+  123.0801 1649875.2 25
+  124.1116 1742127.8 27
+  125.0708 3573255.5 55
+  132.0802 3317292 51
+  133.088 2261200.8 35
+  135.0798 5028881 78
+  136.0388 1400969.2 21
+  138.0657 2161275.2 33
+  138.0909 1212585.4 18
+  140.0815 645708.1 10
+  149.0699 2162811.5 33
+  149.0831 8425228 131
+  164.1062 26907660 420
+//
diff --git a/Eawag/MSBNK-EAWAG-EC060551.txt b/Eawag/MSBNK-EAWAG-EC060551.txt
new file mode 100644
index 0000000000..52091e774b
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC060551.txt
@@ -0,0 +1,52 @@
+ACCESSION: MSBNK-EAWAG-EC060551
+RECORD_TITLE: Micropeptin K139; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.aquatox.2023.106689
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 605
+CH$NAME: Micropeptin K139
+CH$NAME: (R)-4-(((1R,2R,5S,8S,11R,12S,15S,18S,21R)-2-((R)-sec-butyl)-8-((S)-sec-butyl)-15-(3-guanidinopropyl)-21-hydroxy-5-(4-hydroxybenzyl)-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-hexanamido-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C47H74N10O13
+CH$EXACT_MASS: 986.5436824
+CH$SMILES: O=C([C@@H](NC([C@H](NC(CCCCC)=O)CC(O)=O)=O)[C@@H](C)OC1=O)N[C@H](C(N[C@@H]2C([N@@]([C@@H](CC2)O)[C@H]([C@H](C)CC)C(N(C)[C@@H](CC3=CC=C(C=C3)O)C(N[C@H]1[C@H](CC)C)=O)=O)=O)=O)CCCNC(N)=N
+CH$IUPAC: InChI=1S/C47H74N10O13/c1-8-11-12-15-34(59)51-32(24-36(61)62)41(64)55-38-27(6)70-46(69)37(25(4)9-2)54-42(65)33(23-28-16-18-29(58)19-17-28)56(7)45(68)39(26(5)10-3)57-35(60)21-20-31(44(57)67)53-40(63)30(52-43(38)66)14-13-22-50-47(48)49/h16-19,25-27,30-33,35,37-39,58,60H,8-15,20-24H2,1-7H3,(H,51,59)(H,52,66)(H,53,63)(H,54,65)(H,55,64)(H,61,62)(H4,48,49,50)/t25-,26+,27+,30-,31-,32+,33-,35+,37-,38-,39+/m0/s1
+CH$LINK: PUBCHEM CID:101096212
+CH$LINK: INCHIKEY ROTFFYYCARWRHQ-WNRHWPMLSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1026
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.900 min
+MS$FOCUSED_ION: BASE_PEAK 985.5363
+MS$FOCUSED_ION: PRECURSOR_M/Z 985.5364
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-000i-0000000009-68f4dc492cc8c4eaba54
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  549.2783 C38H35N3O- 9 549.2786 -0.4
+  664.3788 C31H56N2O13- 13 664.3788 0.02
+  708.4059 C31H58N5O13- 10 708.4037 3.17
+  967.5261 C47H71N10O12- 1 967.5258 0.27
+  985.5361 C47H73N10O13- 1 985.5364 -0.28
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  549.2783 369441.3 12
+  664.3788 740640.7 24
+  708.4059 1058514.5 34
+  967.5261 1804643.9 59
+  985.5361 30400042 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC060552.txt b/Eawag/MSBNK-EAWAG-EC060552.txt
new file mode 100644
index 0000000000..1c6b4def75
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC060552.txt
@@ -0,0 +1,60 @@
+ACCESSION: MSBNK-EAWAG-EC060552
+RECORD_TITLE: Micropeptin K139; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.aquatox.2023.106689
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 605
+CH$NAME: Micropeptin K139
+CH$NAME: (R)-4-(((1R,2R,5S,8S,11R,12S,15S,18S,21R)-2-((R)-sec-butyl)-8-((S)-sec-butyl)-15-(3-guanidinopropyl)-21-hydroxy-5-(4-hydroxybenzyl)-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-hexanamido-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C47H74N10O13
+CH$EXACT_MASS: 986.5436824
+CH$SMILES: O=C([C@@H](NC([C@H](NC(CCCCC)=O)CC(O)=O)=O)[C@@H](C)OC1=O)N[C@H](C(N[C@@H]2C([N@@]([C@@H](CC2)O)[C@H]([C@H](C)CC)C(N(C)[C@@H](CC3=CC=C(C=C3)O)C(N[C@H]1[C@H](CC)C)=O)=O)=O)=O)CCCNC(N)=N
+CH$IUPAC: InChI=1S/C47H74N10O13/c1-8-11-12-15-34(59)51-32(24-36(61)62)41(64)55-38-27(6)70-46(69)37(25(4)9-2)54-42(65)33(23-28-16-18-29(58)19-17-28)56(7)45(68)39(26(5)10-3)57-35(60)21-20-31(44(57)67)53-40(63)30(52-43(38)66)14-13-22-50-47(48)49/h16-19,25-27,30-33,35,37-39,58,60H,8-15,20-24H2,1-7H3,(H,51,59)(H,52,66)(H,53,63)(H,54,65)(H,55,64)(H,61,62)(H4,48,49,50)/t25-,26+,27+,30-,31-,32+,33-,35+,37-,38-,39+/m0/s1
+CH$LINK: PUBCHEM CID:101096212
+CH$LINK: INCHIKEY ROTFFYYCARWRHQ-WNRHWPMLSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1026
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.900 min
+MS$FOCUSED_ION: BASE_PEAK 985.5363
+MS$FOCUSED_ION: PRECURSOR_M/Z 985.5364
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-000i-0000031119-3a9d7ecdcf1d9435bc4e
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  531.2676 C38H33N3- 8 531.268 -0.77
+  549.2787 C38H35N3O- 8 549.2786 0.26
+  664.3791 C31H56N2O13- 11 664.3788 0.48
+  708.4047 C31H58N5O13- 11 708.4037 1.45
+  764.4108 C40H56N6O9- 9 764.4114 -0.83
+  772.4363 C40H56N10O6- 7 772.439 -3.52
+  852.4259 C41H58N9O11- 5 852.4261 -0.27
+  967.5256 C47H71N10O12- 1 967.5258 -0.3
+  985.536 C47H73N10O13- 1 985.5364 -0.41
+PK$NUM_PEAK: 9
+PK$PEAK: m/z int. rel.int.
+  531.2676 1323777.1 105
+  549.2787 4915067 391
+  664.3791 2340961.5 186
+  708.4047 939358.9 74
+  764.4108 933343 74
+  772.4363 789595.6 62
+  852.4259 2251051.8 179
+  967.5256 6041314.5 480
+  985.536 12547686 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC060553.txt b/Eawag/MSBNK-EAWAG-EC060553.txt
new file mode 100644
index 0000000000..c168642e7d
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC060553.txt
@@ -0,0 +1,64 @@
+ACCESSION: MSBNK-EAWAG-EC060553
+RECORD_TITLE: Micropeptin K139; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.aquatox.2023.106689
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 605
+CH$NAME: Micropeptin K139
+CH$NAME: (R)-4-(((1R,2R,5S,8S,11R,12S,15S,18S,21R)-2-((R)-sec-butyl)-8-((S)-sec-butyl)-15-(3-guanidinopropyl)-21-hydroxy-5-(4-hydroxybenzyl)-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-hexanamido-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C47H74N10O13
+CH$EXACT_MASS: 986.5436824
+CH$SMILES: O=C([C@@H](NC([C@H](NC(CCCCC)=O)CC(O)=O)=O)[C@@H](C)OC1=O)N[C@H](C(N[C@@H]2C([N@@]([C@@H](CC2)O)[C@H]([C@H](C)CC)C(N(C)[C@@H](CC3=CC=C(C=C3)O)C(N[C@H]1[C@H](CC)C)=O)=O)=O)=O)CCCNC(N)=N
+CH$IUPAC: InChI=1S/C47H74N10O13/c1-8-11-12-15-34(59)51-32(24-36(61)62)41(64)55-38-27(6)70-46(69)37(25(4)9-2)54-42(65)33(23-28-16-18-29(58)19-17-28)56(7)45(68)39(26(5)10-3)57-35(60)21-20-31(44(57)67)53-40(63)30(52-43(38)66)14-13-22-50-47(48)49/h16-19,25-27,30-33,35,37-39,58,60H,8-15,20-24H2,1-7H3,(H,51,59)(H,52,66)(H,53,63)(H,54,65)(H,55,64)(H,61,62)(H4,48,49,50)/t25-,26+,27+,30-,31-,32+,33-,35+,37-,38-,39+/m0/s1
+CH$LINK: PUBCHEM CID:101096212
+CH$LINK: INCHIKEY ROTFFYYCARWRHQ-WNRHWPMLSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1026
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.900 min
+MS$FOCUSED_ION: BASE_PEAK 985.5363
+MS$FOCUSED_ION: PRECURSOR_M/Z 985.5364
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0fr2-0000090155-cd61f441c4a0b237dd07
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  179.0452 C6H5N5O2- 1 179.0449 1.99
+  379.1705 C27H23O2- 7 379.1704 0.45
+  507.2563 C37H33NO- 9 507.2568 -0.87
+  531.2675 C38H33N3- 8 531.268 -1
+  549.2785 C38H35N3O- 9 549.2786 -0.07
+  664.379 C31H56N2O13- 11 664.3788 0.39
+  772.4353 C40H56N10O6- 8 772.439 -4.71
+  852.4254 C41H58N9O11- 4 852.4261 -0.91
+  853.4288 C47H59N5O10- 2 853.4267 2.45
+  967.5251 C47H71N10O12- 1 967.5258 -0.74
+  985.5359 C47H73N10O13- 1 985.5364 -0.53
+PK$NUM_PEAK: 11
+PK$PEAK: m/z int. rel.int.
+  179.0452 90881.6 10
+  379.1705 455856.8 52
+  507.2563 431595.2 50
+  531.2675 2776214 322
+  549.2785 8608151 999
+  664.379 555683.1 64
+  772.4353 1805189.2 209
+  852.4254 6842087 794
+  853.4288 469396.8 54
+  967.5251 5120124 594
+  985.5359 1842564.4 213
+//
diff --git a/Eawag/MSBNK-EAWAG-EC060554.txt b/Eawag/MSBNK-EAWAG-EC060554.txt
new file mode 100644
index 0000000000..1eb2b1cfc1
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC060554.txt
@@ -0,0 +1,82 @@
+ACCESSION: MSBNK-EAWAG-EC060554
+RECORD_TITLE: Micropeptin K139; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.aquatox.2023.106689
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 605
+CH$NAME: Micropeptin K139
+CH$NAME: (R)-4-(((1R,2R,5S,8S,11R,12S,15S,18S,21R)-2-((R)-sec-butyl)-8-((S)-sec-butyl)-15-(3-guanidinopropyl)-21-hydroxy-5-(4-hydroxybenzyl)-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-hexanamido-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C47H74N10O13
+CH$EXACT_MASS: 986.5436824
+CH$SMILES: O=C([C@@H](NC([C@H](NC(CCCCC)=O)CC(O)=O)=O)[C@@H](C)OC1=O)N[C@H](C(N[C@@H]2C([N@@]([C@@H](CC2)O)[C@H]([C@H](C)CC)C(N(C)[C@@H](CC3=CC=C(C=C3)O)C(N[C@H]1[C@H](CC)C)=O)=O)=O)=O)CCCNC(N)=N
+CH$IUPAC: InChI=1S/C47H74N10O13/c1-8-11-12-15-34(59)51-32(24-36(61)62)41(64)55-38-27(6)70-46(69)37(25(4)9-2)54-42(65)33(23-28-16-18-29(58)19-17-28)56(7)45(68)39(26(5)10-3)57-35(60)21-20-31(44(57)67)53-40(63)30(52-43(38)66)14-13-22-50-47(48)49/h16-19,25-27,30-33,35,37-39,58,60H,8-15,20-24H2,1-7H3,(H,51,59)(H,52,66)(H,53,63)(H,54,65)(H,55,64)(H,61,62)(H4,48,49,50)/t25-,26+,27+,30-,31-,32+,33-,35+,37-,38-,39+/m0/s1
+CH$LINK: PUBCHEM CID:101096212
+CH$LINK: INCHIKEY ROTFFYYCARWRHQ-WNRHWPMLSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1026
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.900 min
+MS$FOCUSED_ION: BASE_PEAK 985.5363
+MS$FOCUSED_ION: PRECURSOR_M/Z 985.5364
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0udj-0011091280-0d58b6c4d9d3a3b5ac8f
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  135.0557 C7H7N2O- 1 135.0564 -4.89
+  179.0451 C6H5N5O2- 1 179.0449 1.48
+  234.0872 C9H10N6O2- 1 234.0871 0.36
+  251.1135 C9H13N7O2- 4 251.1136 -0.42
+  294.1451 C12H18N6O3- 3 294.1446 1.91
+  303.1702 H27N6O12- 7 303.1692 3.27
+  307.1644 C14H21N5O3- 4 307.165 -2.04
+  379.1705 C27H23O2- 7 379.1704 0.45
+  452.2574 C14H38N5O11- 9 452.2573 0.22
+  507.2563 C37H33NO- 9 507.2568 -0.93
+  531.2674 C38H33N3- 8 531.268 -1.11
+  549.2785 C38H35N3O- 9 549.2786 -0.07
+  689.3997 C34H59NO13- 9 689.3992 0.67
+  735.3456 C35H51N4O13- 8 735.3458 -0.24
+  755.4078 C34H57N7O12- 7 755.4071 0.96
+  772.4361 C40H56N10O6- 7 772.439 -3.68
+  810.4028 C38H54N10O10- 4 810.403 -0.17
+  835.3984 C36H55N10O13- 5 835.3956 3.35
+  852.4255 C41H58N9O11- 4 852.4261 -0.77
+  967.5254 C47H71N10O12- 1 967.5258 -0.43
+PK$NUM_PEAK: 20
+PK$PEAK: m/z int. rel.int.
+  135.0557 167692.5 22
+  179.0451 602482.1 82
+  234.0872 121000.9 16
+  251.1135 567878.6 77
+  294.1451 300132.1 41
+  303.1702 209503.8 28
+  307.1644 508002.3 69
+  379.1705 1018012.7 139
+  452.2574 341425.9 46
+  507.2563 1133562.9 154
+  531.2674 1977161.6 270
+  549.2785 5662225.5 774
+  689.3997 1423517.1 194
+  735.3456 287159.9 39
+  755.4078 379570.5 51
+  772.4361 1680644.1 229
+  810.4028 608086.8 83
+  835.3984 807503.6 110
+  852.4255 7307112.5 999
+  967.5254 820453.3 112
+//
diff --git a/Eawag/MSBNK-EAWAG-EC060555.txt b/Eawag/MSBNK-EAWAG-EC060555.txt
new file mode 100644
index 0000000000..f23b6b55b8
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC060555.txt
@@ -0,0 +1,142 @@
+ACCESSION: MSBNK-EAWAG-EC060555
+RECORD_TITLE: Micropeptin K139; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.aquatox.2023.106689
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 605
+CH$NAME: Micropeptin K139
+CH$NAME: (R)-4-(((1R,2R,5S,8S,11R,12S,15S,18S,21R)-2-((R)-sec-butyl)-8-((S)-sec-butyl)-15-(3-guanidinopropyl)-21-hydroxy-5-(4-hydroxybenzyl)-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-hexanamido-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C47H74N10O13
+CH$EXACT_MASS: 986.5436824
+CH$SMILES: O=C([C@@H](NC([C@H](NC(CCCCC)=O)CC(O)=O)=O)[C@@H](C)OC1=O)N[C@H](C(N[C@@H]2C([N@@]([C@@H](CC2)O)[C@H]([C@H](C)CC)C(N(C)[C@@H](CC3=CC=C(C=C3)O)C(N[C@H]1[C@H](CC)C)=O)=O)=O)=O)CCCNC(N)=N
+CH$IUPAC: InChI=1S/C47H74N10O13/c1-8-11-12-15-34(59)51-32(24-36(61)62)41(64)55-38-27(6)70-46(69)37(25(4)9-2)54-42(65)33(23-28-16-18-29(58)19-17-28)56(7)45(68)39(26(5)10-3)57-35(60)21-20-31(44(57)67)53-40(63)30(52-43(38)66)14-13-22-50-47(48)49/h16-19,25-27,30-33,35,37-39,58,60H,8-15,20-24H2,1-7H3,(H,51,59)(H,52,66)(H,53,63)(H,54,65)(H,55,64)(H,61,62)(H4,48,49,50)/t25-,26+,27+,30-,31-,32+,33-,35+,37-,38-,39+/m0/s1
+CH$LINK: PUBCHEM CID:101096212
+CH$LINK: INCHIKEY ROTFFYYCARWRHQ-WNRHWPMLSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1026
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.900 min
+MS$FOCUSED_ION: BASE_PEAK 985.5363
+MS$FOCUSED_ION: PRECURSOR_M/Z 985.5364
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0ldr-1955011000-07481e986257e025f074
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  69.0346 C4H5O- 1 69.0346 0.26
+  84.009 C3H2NO2- 1 84.0091 -0.84
+  96.009 C4H2NO2- 1 96.0091 -1.25
+  98.0246 C4H4NO2- 1 98.0248 -1.37
+  98.0357 C3H4N3O- 1 98.036 -2.88
+  99.0561 C4H7N2O- 1 99.0564 -2.72
+  110.0247 C5H4NO2- 1 110.0248 -0.16
+  114.0921 C6H12NO- 1 114.0924 -3.15
+  116.0715 C5H10NO2- 1 116.0717 -2.09
+  123.045 C7H7O2- 1 123.0452 -1.42
+  124.0402 C6H6NO2- 1 124.0404 -1.52
+  124.0515 C5H6N3O- 1 124.0516 -0.87
+  127.051 C5H7N2O2- 1 127.0513 -2.03
+  135.056 C7H7N2O- 1 135.0564 -3.19
+  136.0401 C7H6NO2- 1 136.0404 -2.51
+  140.0346 C4H4N4O2- 1 140.034 4.45
+  142.0506 C6H8NO3- 1 142.051 -2.3
+  143.1184 C7H15N2O- 1 143.119 -4.38
+  153.0667 C7H9N2O2- 1 153.067 -1.83
+  156.0771 C4H8N6O- 2 156.0765 3.93
+  165.1024 C7H11N5- 1 165.102 2.39
+  169.0973 C6H11N5O- 1 169.0969 2.19
+  170.0924 C5H10N6O- 1 170.0922 1.52
+  179.0451 C6H5N5O2- 1 179.0449 1.14
+  195.0881 C7H15O6- 3 195.0874 3.39
+  198.0988 C6H16NO6- 3 198.0983 2.52
+  200.1392 C7H16N6O- 1 200.1391 0.32
+  209.0917 C8H11N5O2- 1 209.0918 -0.43
+  212.1141 C7H18NO6- 2 212.114 0.68
+  212.1397 C8H16N6O- 2 212.1391 2.9
+  226.1184 C8H14N6O2- 1 226.1184 -0.03
+  232.1075 C9H16N2O5- 3 232.1065 4.36
+  232.1337 C12H16N4O- 3 232.133 3.24
+  234.0874 C9H10N6O2- 2 234.0871 1.21
+  237.1234 C10H15N5O2- 2 237.1231 1.24
+  238.1266 C4H20N3O8- 4 238.1256 4.18
+  238.1553 C10H18N6O- 2 238.1548 2.09
+  251.1132 C9H13N7O2- 4 251.1136 -1.58
+  254.1504 C10H18N6O2- 2 254.1497 3.06
+  276.1244 CH20N6O10- 3 276.1246 -0.87
+  285.1596 CH21N10O7- 5 285.16 -1.41
+  303.1703 H27N6O12- 5 303.1692 3.57
+  307.1652 C14H21N5O3- 3 307.165 0.74
+  337.1513 C14H25O9- 4 337.1504 2.76
+  340.1977 C14H30NO8- 4 340.1977 0.07
+  396.2312 C11H34N5O10- 7 396.2311 0.27
+  507.256 C37H33NO- 7 507.2568 -1.42
+  515.287 C27H39N4O6- 9 515.2875 -1.08
+  672.3706 C47H48N2O2- 11 672.3721 -2.31
+  689.3995 C34H59NO13- 9 689.3992 0.41
+PK$NUM_PEAK: 50
+PK$PEAK: m/z int. rel.int.
+  69.0346 86063.3 30
+  84.009 187006.9 65
+  96.009 711789.2 250
+  98.0246 358892.6 126
+  98.0357 252992.4 89
+  99.0561 289012.6 101
+  110.0247 296104.5 104
+  114.0921 305556.3 107
+  116.0715 1952139.1 686
+  123.045 316643.9 111
+  124.0402 223969.6 78
+  124.0515 431388.5 151
+  127.051 93584.5 32
+  135.056 1512776.1 532
+  136.0401 374958.8 131
+  140.0346 491555.1 172
+  142.0506 305293.4 107
+  143.1184 207156.9 72
+  153.0667 254739.9 89
+  156.0771 208396 73
+  165.1024 507625.8 178
+  169.0973 1167554.6 410
+  170.0924 208992.5 73
+  179.0451 1226888.8 431
+  195.0881 619232.9 217
+  198.0988 183289.1 64
+  200.1392 565774.9 199
+  209.0917 235994.2 83
+  212.1141 347338.6 122
+  212.1397 298291.8 104
+  226.1184 769488.6 270
+  232.1075 144777.5 50
+  232.1337 467009.7 164
+  234.0874 225287.9 79
+  237.1234 320445 112
+  238.1266 236962.3 83
+  238.1553 714244.8 251
+  251.1132 732025.3 257
+  254.1504 259163.8 91
+  276.1244 448457.8 157
+  285.1596 352128.7 123
+  303.1703 2324961 818
+  307.1652 2838899.8 999
+  337.1513 412116 145
+  340.1977 251702 88
+  396.2312 557623.2 196
+  507.256 656265.8 230
+  515.287 1231471.8 433
+  672.3706 635285.8 223
+  689.3995 1076943.6 378
+//
diff --git a/Eawag/MSBNK-EAWAG-EC060556.txt b/Eawag/MSBNK-EAWAG-EC060556.txt
new file mode 100644
index 0000000000..5b534918ce
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC060556.txt
@@ -0,0 +1,142 @@
+ACCESSION: MSBNK-EAWAG-EC060556
+RECORD_TITLE: Micropeptin K139; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.aquatox.2023.106689
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 605
+CH$NAME: Micropeptin K139
+CH$NAME: (R)-4-(((1R,2R,5S,8S,11R,12S,15S,18S,21R)-2-((R)-sec-butyl)-8-((S)-sec-butyl)-15-(3-guanidinopropyl)-21-hydroxy-5-(4-hydroxybenzyl)-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-hexanamido-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C47H74N10O13
+CH$EXACT_MASS: 986.5436824
+CH$SMILES: O=C([C@@H](NC([C@H](NC(CCCCC)=O)CC(O)=O)=O)[C@@H](C)OC1=O)N[C@H](C(N[C@@H]2C([N@@]([C@@H](CC2)O)[C@H]([C@H](C)CC)C(N(C)[C@@H](CC3=CC=C(C=C3)O)C(N[C@H]1[C@H](CC)C)=O)=O)=O)=O)CCCNC(N)=N
+CH$IUPAC: InChI=1S/C47H74N10O13/c1-8-11-12-15-34(59)51-32(24-36(61)62)41(64)55-38-27(6)70-46(69)37(25(4)9-2)54-42(65)33(23-28-16-18-29(58)19-17-28)56(7)45(68)39(26(5)10-3)57-35(60)21-20-31(44(57)67)53-40(63)30(52-43(38)66)14-13-22-50-47(48)49/h16-19,25-27,30-33,35,37-39,58,60H,8-15,20-24H2,1-7H3,(H,51,59)(H,52,66)(H,53,63)(H,54,65)(H,55,64)(H,61,62)(H4,48,49,50)/t25-,26+,27+,30-,31-,32+,33-,35+,37-,38-,39+/m0/s1
+CH$LINK: PUBCHEM CID:101096212
+CH$LINK: INCHIKEY ROTFFYYCARWRHQ-WNRHWPMLSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1026
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.900 min
+MS$FOCUSED_ION: BASE_PEAK 985.5363
+MS$FOCUSED_ION: PRECURSOR_M/Z 985.5364
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0gb9-1921000000-8653ee4d91a3d779d3b9
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  67.0301 C3H3N2- 1 67.0302 -0.79
+  84.009 C3H2NO2- 1 84.0091 -1.38
+  96.0089 C4H2NO2- 1 96.0091 -1.72
+  98.0246 C4H4NO2- 1 98.0248 -1.68
+  98.0358 C3H4N3O- 1 98.036 -1.71
+  99.0563 C4H7N2O- 1 99.0564 -0.79
+  106.0423 C7H6O- 1 106.0424 -1.3
+  110.0247 C5H4NO2- 1 110.0248 -0.23
+  112.0277 C4H4N2O2- 1 112.0278 -1.42
+  114.0922 C6H12NO- 1 114.0924 -1.94
+  116.0715 C5H10NO2- 1 116.0717 -2.09
+  123.0449 C7H7O2- 1 123.0452 -1.67
+  123.0562 C6H7N2O- 1 123.0564 -1.44
+  124.04 C6H6NO2- 1 124.0404 -2.88
+  124.0513 C5H6N3O- 1 124.0516 -2.35
+  125.0351 C5H5N2O2- 1 125.0357 -4.43
+  130.0981 C5H12N3O- 1 130.0986 -3.68
+  135.0559 C7H7N2O- 1 135.0564 -3.3
+  136.04 C7H6NO2- 1 136.0404 -2.74
+  136.0762 C8H10NO- 1 136.0768 -4.03
+  137.0352 C6H5N2O2- 1 137.0357 -3.53
+  139.0871 C7H11N2O- 1 139.0877 -4.23
+  140.0348 C6H6NO3- 1 140.0353 -3.94
+  141.1028 C7H13N2O- 1 141.1033 -3.55
+  142.0504 C6H8NO3- 1 142.051 -3.81
+  143.1184 C7H15N2O- 1 143.119 -4.17
+  152.0828 C7H10N3O- 1 152.0829 -1.13
+  153.0661 C5H7N5O- 1 153.0656 2.95
+  156.0771 C4H8N6O- 2 156.0765 4.03
+  165.1024 C7H11N5- 1 165.102 2.66
+  169.0972 C6H11N5O- 1 169.0969 1.74
+  170.0923 C5H10N6O- 1 170.0922 0.98
+  172.1196 C5H18NO5- 3 172.119 3.3
+  179.0453 C6H5N5O2- 1 179.0449 2.24
+  181.0965 C7H11N5O- 1 181.0969 -2.21
+  195.0881 C7H15O6- 3 195.0874 3.62
+  198.0992 C6H16NO6- 3 198.0983 4.36
+  200.1392 C7H16N6O- 1 200.1391 0.63
+  212.1393 C8H16N6O- 1 212.1391 0.74
+  226.1183 C8H14N6O2- 1 226.1184 -0.3
+  232.1071 C9H16N2O5- 3 232.1065 2.59
+  232.1334 C12H16N4O- 2 232.133 1.8
+  237.1227 C10H15N5O2- 3 237.1231 -1.97
+  238.1548 C10H18N6O- 1 238.1548 0.23
+  251.1135 C9H13N7O2- 2 251.1136 -0.3
+  285.1597 CH21N10O7- 5 285.16 -0.98
+  303.1704 H27N6O12- 6 303.1692 3.97
+  307.1653 H23N10O9- 3 307.1655 -0.72
+  314.2188 C13H32NO7- 4 314.2184 1.2
+  340.1978 C14H30NO8- 4 340.1977 0.25
+PK$NUM_PEAK: 50
+PK$PEAK: m/z int. rel.int.
+  67.0301 91218.9 21
+  84.009 212912.7 51
+  96.0089 1076072.4 258
+  98.0246 603393.2 145
+  98.0358 336732.7 80
+  99.0563 326269.6 78
+  106.0423 366473.1 88
+  110.0247 602062.1 144
+  112.0277 467486.6 112
+  114.0922 728210.7 175
+  116.0715 4155472.5 999
+  123.0449 279934.4 67
+  123.0562 198006.6 47
+  124.04 425854.7 102
+  124.0513 294092.3 70
+  125.0351 348158.7 83
+  130.0981 484416 116
+  135.0559 1752905.2 421
+  136.04 639336 153
+  136.0762 185323.5 44
+  137.0352 152615.1 36
+  139.0871 93472.8 22
+  140.0348 208605.2 50
+  141.1028 1202849.2 289
+  142.0504 229992.1 55
+  143.1184 1334796.9 320
+  152.0828 222245.9 53
+  153.0661 426410.1 102
+  156.0771 421822.7 101
+  165.1024 384515 92
+  169.0972 2960918.2 711
+  170.0923 662361.6 159
+  172.1196 308593.4 74
+  179.0453 445185.6 107
+  181.0965 252085 60
+  195.0881 433644 104
+  198.0992 82993.5 19
+  200.1392 1793840.4 431
+  212.1393 580864.1 139
+  226.1183 694777.1 167
+  232.1071 203237.8 48
+  232.1334 838933.1 201
+  237.1227 301230.6 72
+  238.1548 738145.2 177
+  251.1135 213772.8 51
+  285.1597 514467.4 123
+  303.1704 1796090.5 431
+  307.1653 1660876.4 399
+  314.2188 760997.1 182
+  340.1978 355276.7 85
+//
diff --git a/Eawag/MSBNK-EAWAG-EC060557.txt b/Eawag/MSBNK-EAWAG-EC060557.txt
new file mode 100644
index 0000000000..c65e0bb42f
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC060557.txt
@@ -0,0 +1,128 @@
+ACCESSION: MSBNK-EAWAG-EC060557
+RECORD_TITLE: Micropeptin K139; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.aquatox.2023.106689
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 605
+CH$NAME: Micropeptin K139
+CH$NAME: (R)-4-(((1R,2R,5S,8S,11R,12S,15S,18S,21R)-2-((R)-sec-butyl)-8-((S)-sec-butyl)-15-(3-guanidinopropyl)-21-hydroxy-5-(4-hydroxybenzyl)-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-hexanamido-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C47H74N10O13
+CH$EXACT_MASS: 986.5436824
+CH$SMILES: O=C([C@@H](NC([C@H](NC(CCCCC)=O)CC(O)=O)=O)[C@@H](C)OC1=O)N[C@H](C(N[C@@H]2C([N@@]([C@@H](CC2)O)[C@H]([C@H](C)CC)C(N(C)[C@@H](CC3=CC=C(C=C3)O)C(N[C@H]1[C@H](CC)C)=O)=O)=O)=O)CCCNC(N)=N
+CH$IUPAC: InChI=1S/C47H74N10O13/c1-8-11-12-15-34(59)51-32(24-36(61)62)41(64)55-38-27(6)70-46(69)37(25(4)9-2)54-42(65)33(23-28-16-18-29(58)19-17-28)56(7)45(68)39(26(5)10-3)57-35(60)21-20-31(44(57)67)53-40(63)30(52-43(38)66)14-13-22-50-47(48)49/h16-19,25-27,30-33,35,37-39,58,60H,8-15,20-24H2,1-7H3,(H,51,59)(H,52,66)(H,53,63)(H,54,65)(H,55,64)(H,61,62)(H4,48,49,50)/t25-,26+,27+,30-,31-,32+,33-,35+,37-,38-,39+/m0/s1
+CH$LINK: PUBCHEM CID:101096212
+CH$LINK: INCHIKEY ROTFFYYCARWRHQ-WNRHWPMLSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1026
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.900 min
+MS$FOCUSED_ION: BASE_PEAK 985.5363
+MS$FOCUSED_ION: PRECURSOR_M/Z 985.5364
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-014i-1910000000-cd7226886fc3802101f4
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  58.041 CH4N3- 1 58.0411 -0.36
+  70.0298 C3H4NO- 1 70.0298 -0.97
+  73.0405 C2H5N2O- 1 73.0407 -3.57
+  82.0297 C4H4NO- 1 82.0298 -1.84
+  84.009 C3H2NO2- 1 84.0091 -1.66
+  96.009 C4H2NO2- 1 96.0091 -1.33
+  98.0246 C4H4NO2- 1 98.0248 -1.44
+  98.0359 C3H4N3O- 1 98.036 -1.09
+  99.0563 C4H7N2O- 1 99.0564 -0.72
+  106.0422 C7H6O- 1 106.0424 -2.02
+  110.0246 C5H4NO2- 1 110.0248 -1.62
+  112.0276 C4H4N2O2- 1 112.0278 -1.82
+  113.0717 C5H9N2O- 1 113.072 -3.16
+  114.0921 C6H12NO- 1 114.0924 -2.54
+  116.0714 C5H10NO2- 1 116.0717 -2.22
+  123.0447 C7H7O2- 1 123.0452 -4.02
+  123.0562 C6H7N2O- 1 123.0564 -1.51
+  124.04 C6H6NO2- 1 124.0404 -2.94
+  125.0354 C5H5N2O2- 1 125.0357 -2.23
+  127.0874 C6H11N2O- 1 127.0877 -2.22
+  130.0981 C5H12N3O- 1 130.0986 -3.44
+  135.0559 C7H7N2O- 1 135.0564 -3.3
+  136.0399 C7H6NO2- 1 136.0404 -3.75
+  139.0506 C4H5N5O- 1 139.05 4.51
+  141.1028 C7H13N2O- 1 141.1033 -3.76
+  143.1184 C7H15N2O- 1 143.119 -3.85
+  146.0366 C7H4N3O- 1 146.036 4.19
+  147.0685 C9H9NO- 1 147.069 -3.31
+  153.0665 C7H9N2O2- 1 153.067 -3.23
+  153.1025 C6H11N5- 1 153.102 3.59
+  156.0772 C4H8N6O- 2 156.0765 4.71
+  161.0594 C8H7N3O- 1 161.0595 -0.08
+  169.0972 C6H11N5O- 1 169.0969 1.92
+  170.0924 C5H10N6O- 1 170.0922 1.43
+  181.097 C7H11N5O- 1 181.0969 0.49
+  196.1074 C7H12N6O- 3 196.1078 -1.86
+  200.1392 C7H16N6O- 1 200.1391 0.55
+  226.1183 C8H14N6O2- 1 226.1184 -0.23
+  232.1334 C12H16N4O- 2 232.133 1.99
+  238.1548 C10H18N6O- 1 238.1548 0.36
+  303.1707 H27N6O12- 6 303.1692 4.78
+  307.1655 H23N10O9- 4 307.1655 0.08
+  314.2191 C13H32NO7- 4 314.2184 2.27
+PK$NUM_PEAK: 43
+PK$PEAK: m/z int. rel.int.
+  58.041 174767.6 43
+  70.0298 259577 65
+  73.0405 153806.4 38
+  82.0297 229219.8 57
+  84.009 185863.5 46
+  96.009 1352235.1 339
+  98.0246 795170.8 199
+  98.0359 252482.8 63
+  99.0563 262547.8 65
+  106.0422 702788.5 176
+  110.0246 721890.6 181
+  112.0276 1592582.9 399
+  113.0717 240234.7 60
+  114.0921 748855.3 188
+  116.0714 3977906.2 999
+  123.0447 169781.5 42
+  123.0562 208131.5 52
+  124.04 376454.5 94
+  125.0354 472764.3 118
+  127.0874 112783.6 28
+  130.0981 1120710.8 281
+  135.0559 1522431 382
+  136.0399 506426.6 127
+  139.0506 271212.5 68
+  141.1028 1116227.5 280
+  143.1184 2407480.2 604
+  146.0366 247784.1 62
+  147.0685 68145.5 17
+  153.0665 264389.5 66
+  153.1025 338560 85
+  156.0772 540420.9 135
+  161.0594 187054.2 46
+  169.0972 3077638.5 772
+  170.0924 711036.2 178
+  181.097 222525.6 55
+  196.1074 272092 68
+  200.1392 2012390.9 505
+  226.1183 334247.1 83
+  232.1334 398491 100
+  238.1548 222823.8 55
+  303.1707 394456.7 99
+  307.1655 257243.7 64
+  314.2191 398377.3 100
+//
diff --git a/Eawag/MSBNK-EAWAG-EC060558.txt b/Eawag/MSBNK-EAWAG-EC060558.txt
new file mode 100644
index 0000000000..aa417045f2
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC060558.txt
@@ -0,0 +1,124 @@
+ACCESSION: MSBNK-EAWAG-EC060558
+RECORD_TITLE: Micropeptin K139; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.aquatox.2023.106689
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 605
+CH$NAME: Micropeptin K139
+CH$NAME: (R)-4-(((1R,2R,5S,8S,11R,12S,15S,18S,21R)-2-((R)-sec-butyl)-8-((S)-sec-butyl)-15-(3-guanidinopropyl)-21-hydroxy-5-(4-hydroxybenzyl)-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-hexanamido-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C47H74N10O13
+CH$EXACT_MASS: 986.5436824
+CH$SMILES: O=C([C@@H](NC([C@H](NC(CCCCC)=O)CC(O)=O)=O)[C@@H](C)OC1=O)N[C@H](C(N[C@@H]2C([N@@]([C@@H](CC2)O)[C@H]([C@H](C)CC)C(N(C)[C@@H](CC3=CC=C(C=C3)O)C(N[C@H]1[C@H](CC)C)=O)=O)=O)=O)CCCNC(N)=N
+CH$IUPAC: InChI=1S/C47H74N10O13/c1-8-11-12-15-34(59)51-32(24-36(61)62)41(64)55-38-27(6)70-46(69)37(25(4)9-2)54-42(65)33(23-28-16-18-29(58)19-17-28)56(7)45(68)39(26(5)10-3)57-35(60)21-20-31(44(57)67)53-40(63)30(52-43(38)66)14-13-22-50-47(48)49/h16-19,25-27,30-33,35,37-39,58,60H,8-15,20-24H2,1-7H3,(H,51,59)(H,52,66)(H,53,63)(H,54,65)(H,55,64)(H,61,62)(H4,48,49,50)/t25-,26+,27+,30-,31-,32+,33-,35+,37-,38-,39+/m0/s1
+CH$LINK: PUBCHEM CID:101096212
+CH$LINK: INCHIKEY ROTFFYYCARWRHQ-WNRHWPMLSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1026
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.900 min
+MS$FOCUSED_ION: BASE_PEAK 985.5363
+MS$FOCUSED_ION: PRECURSOR_M/Z 985.5364
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-02tc-2900000000-738d60c97ae95b7a8710
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  58.0297 C2H4NO- 1 58.0298 -2.42
+  58.0409 CH4N3- 1 58.0411 -2.27
+  70.0298 C3H4NO- 1 70.0298 -0.97
+  73.0406 C2H5N2O- 1 73.0407 -1.27
+  80.0505 C5H6N- 1 80.0506 -0.9
+  81.0346 C5H5O- 1 81.0346 0.06
+  82.0297 C4H4NO- 1 82.0298 -1.75
+  82.0661 C5H8N- 1 82.0662 -1.01
+  84.0089 C3H2NO2- 1 84.0091 -2.38
+  87.0563 C3H7N2O- 1 87.0564 -0.93
+  96.0089 C4H2NO2- 1 96.0091 -1.72
+  98.0245 C4H4NO2- 1 98.0248 -2.22
+  98.0357 C3H4N3O- 1 98.036 -3.03
+  99.0561 C4H7N2O- 1 99.0564 -3.34
+  106.0422 C7H6O- 1 106.0424 -1.95
+  109.0407 C5H5N2O- 1 109.0407 -0.69
+  110.0245 C5H4NO2- 1 110.0248 -1.89
+  111.0199 C4H3N2O2- 1 111.02 -0.81
+  112.0276 C4H4N2O2- 1 112.0278 -2.16
+  113.0356 C4H5N2O2- 1 113.0357 -0.32
+  113.0719 C5H9N2O- 1 113.072 -1.4
+  114.0922 C6H12NO- 1 114.0924 -1.81
+  116.0714 C5H10NO2- 1 116.0717 -2.35
+  118.0422 C8H6O- 1 118.0424 -1.42
+  119.05 C8H7O- 1 119.0502 -2.13
+  124.0402 C6H6NO2- 1 124.0404 -1.52
+  125.0353 C5H5N2O2- 1 125.0357 -2.9
+  130.0981 C5H12N3O- 1 130.0986 -4.03
+  135.0559 C7H7N2O- 1 135.0564 -3.53
+  139.0872 C7H11N2O- 1 139.0877 -3.79
+  140.0828 C6H10N3O- 1 140.0829 -0.65
+  141.1028 C7H13N2O- 1 141.1033 -3.76
+  143.1184 C7H15N2O- 1 143.119 -4.38
+  146.0367 C7H4N3O- 2 146.036 4.92
+  153.0661 C5H7N5O- 1 153.0656 3.45
+  153.1029 C8H13N2O- 1 153.1033 -2.89
+  154.0981 C7H12N3O- 1 154.0986 -3.4
+  156.0772 C4H8N6O- 2 156.0765 4.51
+  169.0971 C6H11N5O- 1 169.0969 1.38
+  170.0923 C5H10N6O- 1 170.0922 0.71
+  200.1392 C7H16N6O- 1 200.1391 0.4
+PK$NUM_PEAK: 41
+PK$PEAK: m/z int. rel.int.
+  58.0297 207484.2 75
+  58.0409 224694.7 81
+  70.0298 240427.8 87
+  73.0406 241068.3 87
+  80.0505 130191 47
+  81.0346 107386.8 39
+  82.0297 278344.9 101
+  82.0661 165019.3 60
+  84.0089 156596.4 56
+  87.0563 238995.7 86
+  96.0089 1154206.5 419
+  98.0245 575384.5 209
+  98.0357 158449.6 57
+  99.0561 136262.2 49
+  106.0422 708933.5 257
+  109.0407 143639.8 52
+  110.0245 508314.7 184
+  111.0199 219547 79
+  112.0276 2264064.8 823
+  113.0356 263239.4 95
+  113.0719 261121.8 94
+  114.0922 598716.4 217
+  116.0714 2713718.2 986
+  118.0422 161572 58
+  119.05 336521.7 122
+  124.0402 218088.5 79
+  125.0353 475506.4 172
+  130.0981 1037034.7 377
+  135.0559 758924 275
+  139.0872 171707.7 62
+  140.0828 113367.6 41
+  141.1028 620486.8 225
+  143.1184 2747256 999
+  146.0367 255925.8 93
+  153.0661 181793.8 66
+  153.1029 287378.5 104
+  154.0981 169435 61
+  156.0772 359283.8 130
+  169.0971 1728392.4 628
+  170.0923 503911.5 183
+  200.1392 1148457.5 417
+//
diff --git a/Eawag/MSBNK-EAWAG-EC060559.txt b/Eawag/MSBNK-EAWAG-EC060559.txt
new file mode 100644
index 0000000000..f764979d22
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC060559.txt
@@ -0,0 +1,108 @@
+ACCESSION: MSBNK-EAWAG-EC060559
+RECORD_TITLE: Micropeptin K139; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.aquatox.2023.106689
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 605
+CH$NAME: Micropeptin K139
+CH$NAME: (R)-4-(((1R,2R,5S,8S,11R,12S,15S,18S,21R)-2-((R)-sec-butyl)-8-((S)-sec-butyl)-15-(3-guanidinopropyl)-21-hydroxy-5-(4-hydroxybenzyl)-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-hexanamido-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C47H74N10O13
+CH$EXACT_MASS: 986.5436824
+CH$SMILES: O=C([C@@H](NC([C@H](NC(CCCCC)=O)CC(O)=O)=O)[C@@H](C)OC1=O)N[C@H](C(N[C@@H]2C([N@@]([C@@H](CC2)O)[C@H]([C@H](C)CC)C(N(C)[C@@H](CC3=CC=C(C=C3)O)C(N[C@H]1[C@H](CC)C)=O)=O)=O)=O)CCCNC(N)=N
+CH$IUPAC: InChI=1S/C47H74N10O13/c1-8-11-12-15-34(59)51-32(24-36(61)62)41(64)55-38-27(6)70-46(69)37(25(4)9-2)54-42(65)33(23-28-16-18-29(58)19-17-28)56(7)45(68)39(26(5)10-3)57-35(60)21-20-31(44(57)67)53-40(63)30(52-43(38)66)14-13-22-50-47(48)49/h16-19,25-27,30-33,35,37-39,58,60H,8-15,20-24H2,1-7H3,(H,51,59)(H,52,66)(H,53,63)(H,54,65)(H,55,64)(H,61,62)(H4,48,49,50)/t25-,26+,27+,30-,31-,32+,33-,35+,37-,38-,39+/m0/s1
+CH$LINK: PUBCHEM CID:101096212
+CH$LINK: INCHIKEY ROTFFYYCARWRHQ-WNRHWPMLSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1026
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.900 min
+MS$FOCUSED_ION: BASE_PEAK 985.5363
+MS$FOCUSED_ION: PRECURSOR_M/Z 985.5364
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03xv-2900000000-199496808eeddcaf5d68
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  58.0298 C2H4NO- 1 58.0298 -1.3
+  58.0409 CH4N3- 1 58.0411 -2.14
+  70.0297 C3H4NO- 1 70.0298 -2.27
+  73.0406 C2H5N2O- 1 73.0407 -1.37
+  82.0298 C4H4NO- 1 82.0298 -0.72
+  83.0249 C3H3N2O- 1 83.0251 -2.5
+  87.0563 C3H7N2O- 1 87.0564 -0.49
+  96.009 C4H2NO2- 1 96.0091 -1.41
+  96.0327 C4H4N2O- 1 96.0329 -2.1
+  96.0455 C5H6NO- 1 96.0455 -0.15
+  98.0246 C4H4NO2- 1 98.0248 -1.83
+  106.0422 C7H6O- 1 106.0424 -1.73
+  110.0247 C5H4NO2- 1 110.0248 -0.71
+  111.0197 C4H3N2O2- 1 111.02 -3.01
+  112.0276 C4H4N2O2- 1 112.0278 -1.96
+  113.0356 C4H5N2O2- 1 113.0357 -0.18
+  113.0718 C5H9N2O- 1 113.072 -2.21
+  114.0924 C6H12NO- 1 114.0924 -0.74
+  116.0714 C5H10NO2- 1 116.0717 -2.22
+  118.0421 C8H6O- 1 118.0424 -2.39
+  119.05 C8H7O- 1 119.0502 -1.94
+  123.0321 C6H5NO2- 1 123.0326 -4
+  125.0353 C5H5N2O2- 1 125.0357 -3.02
+  130.0982 C5H12N3O- 1 130.0986 -3.32
+  135.0559 C7H7N2O- 1 135.0564 -3.3
+  139.0872 C7H11N2O- 1 139.0877 -3.79
+  141.1027 C7H13N2O- 2 141.1033 -4.74
+  143.1184 C7H15N2O- 1 143.119 -4.06
+  153.0662 C5H7N5O- 2 153.0656 4.15
+  153.1028 C8H13N2O- 1 153.1033 -3.59
+  169.0969 C6H11N5O- 1 169.0969 0.11
+  170.0923 C5H10N6O- 1 170.0922 0.98
+  200.1393 C7H16N6O- 1 200.1391 1.08
+PK$NUM_PEAK: 33
+PK$PEAK: m/z int. rel.int.
+  58.0298 249275.6 93
+  58.0409 206278.8 77
+  70.0297 236367.7 88
+  73.0406 319497.6 119
+  82.0298 246981.5 92
+  83.0249 140632 52
+  87.0563 331680.2 124
+  96.009 1156681 434
+  96.0327 85854.5 32
+  96.0455 95608.8 35
+  98.0246 482692.8 181
+  106.0422 444690.2 166
+  110.0247 456253.7 171
+  111.0197 220034.6 82
+  112.0276 2660960.8 999
+  113.0356 295328.7 110
+  113.0718 252010.5 94
+  114.0924 415941.9 156
+  116.0714 1780109.2 668
+  118.0421 271708.7 102
+  119.05 298271.6 111
+  123.0321 89320 33
+  125.0353 404121 151
+  130.0982 718636.4 269
+  135.0559 456200.5 171
+  139.0872 223865.4 84
+  141.1027 321286.2 120
+  143.1184 2142901.2 804
+  153.0662 122430.1 45
+  153.1028 243477.2 91
+  169.0969 750553 281
+  170.0923 230853.5 86
+  200.1393 448209.6 168
+//
diff --git a/Eawag/MSBNK-EAWAG-EC061301.txt b/Eawag/MSBNK-EAWAG-EC061301.txt
new file mode 100644
index 0000000000..a821f9b151
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC061301.txt
@@ -0,0 +1,43 @@
+ACCESSION: MSBNK-EAWAG-EC061301
+RECORD_TITLE: Oscillapeptin J; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 613
+CH$NAME: Oscillapeptin J
+CH$NAME: (2R)-3-(((2S)-1-(((5S,8S,11S,12S,15S,18S,21R)-8-((R)-sec-butyl)-15-(3-((diaminomethylene)amino)propyl)-21-hydroxy-5-(4-hydroxybenzyl)-2-((R)-1-hydroxyethyl)-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl)amino)-2-hydroxy-3-oxopropyl hydrogen sulfate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C47H68N10O18S
+CH$EXACT_MASS: 1092.443376
+CH$SMILES: CC[C@H]([C@H]1C(O[C@@H](C)[C@H](NC([C@@H](NC([C@H](O)COS(=O)(O)=O)=O)CC2=CC=C(O)C=C2)=O)C(N[C@@H](CCC/N=C(N)\N)C(N[C@H]3CC[C@@H](O)N(C([C@H](O)C)C(N(C)[C@@H](CC4=CC=C(O)C=C4)C(N1)=O)=O)C3=O)=O)=O)=O)C
+CH$IUPAC: InChI=1S/C47H68N10O18S/c1-6-23(2)36-46(70)75-25(4)37(55-40(64)32(20-26-9-13-28(59)14-10-26)53-42(66)34(61)22-74-76(71,72)73)43(67)51-30(8-7-19-50-47(48)49)39(63)52-31-17-18-35(62)57(44(31)68)38(24(3)58)45(69)56(5)33(41(65)54-36)21-27-11-15-29(60)16-12-27/h9-16,23-25,30-38,58-62H,6-8,17-22H2,1-5H3,(H,51,67)(H,52,63)(H,53,66)(H,54,65)(H,55,64)(H4,48,49,50)(H,71,72,73)/t23-,24-,25+,30+,31+,32+,33+,34-,35-,36+,37+,38?/m1/s1
+CH$LINK: PUBCHEM CID: 155802344
+CH$LINK: INCHIKEY TYSLVBJOPFOBFU-WRXHAISRSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1136
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.307 min
+MS$FOCUSED_ION: BASE_PEAK 132.9579
+MS$FOCUSED_ION: PRECURSOR_M/Z 1093.4507
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03di-9000000000-e5a8b8fa61783ff6646c
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  1013.4929 C47H69N10O15+ 1 1013.4938 -0.96
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  1013.4929 410202.4 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC061302.txt b/Eawag/MSBNK-EAWAG-EC061302.txt
new file mode 100644
index 0000000000..af5398a104
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC061302.txt
@@ -0,0 +1,45 @@
+ACCESSION: MSBNK-EAWAG-EC061302
+RECORD_TITLE: Oscillapeptin J; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 613
+CH$NAME: Oscillapeptin J
+CH$NAME: (2R)-3-(((2S)-1-(((5S,8S,11S,12S,15S,18S,21R)-8-((R)-sec-butyl)-15-(3-((diaminomethylene)amino)propyl)-21-hydroxy-5-(4-hydroxybenzyl)-2-((R)-1-hydroxyethyl)-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl)amino)-2-hydroxy-3-oxopropyl hydrogen sulfate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C47H68N10O18S
+CH$EXACT_MASS: 1092.443376
+CH$SMILES: CC[C@H]([C@H]1C(O[C@@H](C)[C@H](NC([C@@H](NC([C@H](O)COS(=O)(O)=O)=O)CC2=CC=C(O)C=C2)=O)C(N[C@@H](CCC/N=C(N)\N)C(N[C@H]3CC[C@@H](O)N(C([C@H](O)C)C(N(C)[C@@H](CC4=CC=C(O)C=C4)C(N1)=O)=O)C3=O)=O)=O)=O)C
+CH$IUPAC: InChI=1S/C47H68N10O18S/c1-6-23(2)36-46(70)75-25(4)37(55-40(64)32(20-26-9-13-28(59)14-10-26)53-42(66)34(61)22-74-76(71,72)73)43(67)51-30(8-7-19-50-47(48)49)39(63)52-31-17-18-35(62)57(44(31)68)38(24(3)58)45(69)56(5)33(41(65)54-36)21-27-11-15-29(60)16-12-27/h9-16,23-25,30-38,58-62H,6-8,17-22H2,1-5H3,(H,51,67)(H,52,63)(H,53,66)(H,54,65)(H,55,64)(H4,48,49,50)(H,71,72,73)/t23-,24-,25+,30+,31+,32+,33+,34-,35-,36+,37+,38?/m1/s1
+CH$LINK: PUBCHEM CID: 155802344
+CH$LINK: INCHIKEY TYSLVBJOPFOBFU-WRXHAISRSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1136
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.307 min
+MS$FOCUSED_ION: BASE_PEAK 132.9579
+MS$FOCUSED_ION: PRECURSOR_M/Z 1093.4507
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03dj-9000000007-a4d69e81d9bfc8e7f9e0
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  995.4818 C44H69N9O17+ 2 995.4806 1.26
+  1013.4916 C47H69N10O15+ 1 1013.4938 -2.16
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  995.4818 265143.6 856
+  1013.4916 309420.3 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC061303.txt b/Eawag/MSBNK-EAWAG-EC061303.txt
new file mode 100644
index 0000000000..68cc64ca5e
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC061303.txt
@@ -0,0 +1,43 @@
+ACCESSION: MSBNK-EAWAG-EC061303
+RECORD_TITLE: Oscillapeptin J; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 613
+CH$NAME: Oscillapeptin J
+CH$NAME: (2R)-3-(((2S)-1-(((5S,8S,11S,12S,15S,18S,21R)-8-((R)-sec-butyl)-15-(3-((diaminomethylene)amino)propyl)-21-hydroxy-5-(4-hydroxybenzyl)-2-((R)-1-hydroxyethyl)-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl)amino)-2-hydroxy-3-oxopropyl hydrogen sulfate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C47H68N10O18S
+CH$EXACT_MASS: 1092.443376
+CH$SMILES: CC[C@H]([C@H]1C(O[C@@H](C)[C@H](NC([C@@H](NC([C@H](O)COS(=O)(O)=O)=O)CC2=CC=C(O)C=C2)=O)C(N[C@@H](CCC/N=C(N)\N)C(N[C@H]3CC[C@@H](O)N(C([C@H](O)C)C(N(C)[C@@H](CC4=CC=C(O)C=C4)C(N1)=O)=O)C3=O)=O)=O)=O)C
+CH$IUPAC: InChI=1S/C47H68N10O18S/c1-6-23(2)36-46(70)75-25(4)37(55-40(64)32(20-26-9-13-28(59)14-10-26)53-42(66)34(61)22-74-76(71,72)73)43(67)51-30(8-7-19-50-47(48)49)39(63)52-31-17-18-35(62)57(44(31)68)38(24(3)58)45(69)56(5)33(41(65)54-36)21-27-11-15-29(60)16-12-27/h9-16,23-25,30-38,58-62H,6-8,17-22H2,1-5H3,(H,51,67)(H,52,63)(H,53,66)(H,54,65)(H,55,64)(H4,48,49,50)(H,71,72,73)/t23-,24-,25+,30+,31+,32+,33+,34-,35-,36+,37+,38?/m1/s1
+CH$LINK: PUBCHEM CID: 155802344
+CH$LINK: INCHIKEY TYSLVBJOPFOBFU-WRXHAISRSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1136
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.307 min
+MS$FOCUSED_ION: BASE_PEAK 132.9579
+MS$FOCUSED_ION: PRECURSOR_M/Z 1093.4507
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03di-9000000000-c5539a0fd2144e29bc85
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  1013.4932 C47H69N10O15+ 1 1013.4938 -0.65
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  1013.4932 190344.5 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC061304.txt b/Eawag/MSBNK-EAWAG-EC061304.txt
new file mode 100644
index 0000000000..f54baaa08a
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC061304.txt
@@ -0,0 +1,45 @@
+ACCESSION: MSBNK-EAWAG-EC061304
+RECORD_TITLE: Oscillapeptin J; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 613
+CH$NAME: Oscillapeptin J
+CH$NAME: (2R)-3-(((2S)-1-(((5S,8S,11S,12S,15S,18S,21R)-8-((R)-sec-butyl)-15-(3-((diaminomethylene)amino)propyl)-21-hydroxy-5-(4-hydroxybenzyl)-2-((R)-1-hydroxyethyl)-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl)amino)-2-hydroxy-3-oxopropyl hydrogen sulfate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C47H68N10O18S
+CH$EXACT_MASS: 1092.443376
+CH$SMILES: CC[C@H]([C@H]1C(O[C@@H](C)[C@H](NC([C@@H](NC([C@H](O)COS(=O)(O)=O)=O)CC2=CC=C(O)C=C2)=O)C(N[C@@H](CCC/N=C(N)\N)C(N[C@H]3CC[C@@H](O)N(C([C@H](O)C)C(N(C)[C@@H](CC4=CC=C(O)C=C4)C(N1)=O)=O)C3=O)=O)=O)=O)C
+CH$IUPAC: InChI=1S/C47H68N10O18S/c1-6-23(2)36-46(70)75-25(4)37(55-40(64)32(20-26-9-13-28(59)14-10-26)53-42(66)34(61)22-74-76(71,72)73)43(67)51-30(8-7-19-50-47(48)49)39(63)52-31-17-18-35(62)57(44(31)68)38(24(3)58)45(69)56(5)33(41(65)54-36)21-27-11-15-29(60)16-12-27/h9-16,23-25,30-38,58-62H,6-8,17-22H2,1-5H3,(H,51,67)(H,52,63)(H,53,66)(H,54,65)(H,55,64)(H4,48,49,50)(H,71,72,73)/t23-,24-,25+,30+,31+,32+,33+,34-,35-,36+,37+,38?/m1/s1
+CH$LINK: PUBCHEM CID: 155802344
+CH$LINK: INCHIKEY TYSLVBJOPFOBFU-WRXHAISRSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1136
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.307 min
+MS$FOCUSED_ION: BASE_PEAK 132.9579
+MS$FOCUSED_ION: PRECURSOR_M/Z 1093.4507
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-01ot-5000000009-460027eb1f14496f5186
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  995.4812 C44H69N9O17+ 2 995.4806 0.65
+  1013.4935 C47H69N10O15+ 1 1013.4938 -0.35
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  995.4812 125305.2 999
+  1013.4935 81252.3 647
+//
diff --git a/Eawag/MSBNK-EAWAG-EC061305.txt b/Eawag/MSBNK-EAWAG-EC061305.txt
new file mode 100644
index 0000000000..1b3986068d
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC061305.txt
@@ -0,0 +1,53 @@
+ACCESSION: MSBNK-EAWAG-EC061305
+RECORD_TITLE: Oscillapeptin J; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 613
+CH$NAME: Oscillapeptin J
+CH$NAME: (2R)-3-(((2S)-1-(((5S,8S,11S,12S,15S,18S,21R)-8-((R)-sec-butyl)-15-(3-((diaminomethylene)amino)propyl)-21-hydroxy-5-(4-hydroxybenzyl)-2-((R)-1-hydroxyethyl)-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl)amino)-2-hydroxy-3-oxopropyl hydrogen sulfate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C47H68N10O18S
+CH$EXACT_MASS: 1092.443376
+CH$SMILES: CC[C@H]([C@H]1C(O[C@@H](C)[C@H](NC([C@@H](NC([C@H](O)COS(=O)(O)=O)=O)CC2=CC=C(O)C=C2)=O)C(N[C@@H](CCC/N=C(N)\N)C(N[C@H]3CC[C@@H](O)N(C([C@H](O)C)C(N(C)[C@@H](CC4=CC=C(O)C=C4)C(N1)=O)=O)C3=O)=O)=O)=O)C
+CH$IUPAC: InChI=1S/C47H68N10O18S/c1-6-23(2)36-46(70)75-25(4)37(55-40(64)32(20-26-9-13-28(59)14-10-26)53-42(66)34(61)22-74-76(71,72)73)43(67)51-30(8-7-19-50-47(48)49)39(63)52-31-17-18-35(62)57(44(31)68)38(24(3)58)45(69)56(5)33(41(65)54-36)21-27-11-15-29(60)16-12-27/h9-16,23-25,30-38,58-62H,6-8,17-22H2,1-5H3,(H,51,67)(H,52,63)(H,53,66)(H,54,65)(H,55,64)(H4,48,49,50)(H,71,72,73)/t23-,24-,25+,30+,31+,32+,33+,34-,35-,36+,37+,38?/m1/s1
+CH$LINK: PUBCHEM CID: 155802344
+CH$LINK: INCHIKEY TYSLVBJOPFOBFU-WRXHAISRSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1136
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.307 min
+MS$FOCUSED_ION: BASE_PEAK 132.9579
+MS$FOCUSED_ION: PRECURSOR_M/Z 1093.4507
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0uk9-2910000000-2aa143ebbfb3d979c286
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  70.0651 C4H8N+ 1 70.0651 -0.74
+  112.0867 C5H10N3+ 1 112.0869 -1.88
+  138.0663 C6H8N3O+ 2 138.0662 0.48
+  150.0909 CH16N3O3S+ 2 150.0907 1.48
+  179.0807 CH15N4O4S+ 3 179.0809 -0.89
+  224.0906 C11H14NO4+ 5 224.0917 -4.92
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  70.0651 86649.4 370
+  112.0867 51335.6 219
+  138.0663 18348.1 78
+  150.0909 233792.5 999
+  179.0807 41889.6 178
+  224.0906 72408.8 309
+//
diff --git a/Eawag/MSBNK-EAWAG-EC061306.txt b/Eawag/MSBNK-EAWAG-EC061306.txt
new file mode 100644
index 0000000000..c6443e8c44
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC061306.txt
@@ -0,0 +1,69 @@
+ACCESSION: MSBNK-EAWAG-EC061306
+RECORD_TITLE: Oscillapeptin J; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 613
+CH$NAME: Oscillapeptin J
+CH$NAME: (2R)-3-(((2S)-1-(((5S,8S,11S,12S,15S,18S,21R)-8-((R)-sec-butyl)-15-(3-((diaminomethylene)amino)propyl)-21-hydroxy-5-(4-hydroxybenzyl)-2-((R)-1-hydroxyethyl)-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl)amino)-2-hydroxy-3-oxopropyl hydrogen sulfate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C47H68N10O18S
+CH$EXACT_MASS: 1092.443376
+CH$SMILES: CC[C@H]([C@H]1C(O[C@@H](C)[C@H](NC([C@@H](NC([C@H](O)COS(=O)(O)=O)=O)CC2=CC=C(O)C=C2)=O)C(N[C@@H](CCC/N=C(N)\N)C(N[C@H]3CC[C@@H](O)N(C([C@H](O)C)C(N(C)[C@@H](CC4=CC=C(O)C=C4)C(N1)=O)=O)C3=O)=O)=O)=O)C
+CH$IUPAC: InChI=1S/C47H68N10O18S/c1-6-23(2)36-46(70)75-25(4)37(55-40(64)32(20-26-9-13-28(59)14-10-26)53-42(66)34(61)22-74-76(71,72)73)43(67)51-30(8-7-19-50-47(48)49)39(63)52-31-17-18-35(62)57(44(31)68)38(24(3)58)45(69)56(5)33(41(65)54-36)21-27-11-15-29(60)16-12-27/h9-16,23-25,30-38,58-62H,6-8,17-22H2,1-5H3,(H,51,67)(H,52,63)(H,53,66)(H,54,65)(H,55,64)(H4,48,49,50)(H,71,72,73)/t23-,24-,25+,30+,31+,32+,33+,34-,35-,36+,37+,38?/m1/s1
+CH$LINK: PUBCHEM CID: 155802344
+CH$LINK: INCHIKEY TYSLVBJOPFOBFU-WRXHAISRSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1136
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.307 min
+MS$FOCUSED_ION: BASE_PEAK 132.9579
+MS$FOCUSED_ION: PRECURSOR_M/Z 1093.4507
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0fk9-2920000000-549c059a08c1bf22c531
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  70.065 C4H8N+ 1 70.0651 -1.93
+  84.0445 C4H6NO+ 1 84.0444 1.15
+  86.0964 C5H12N+ 1 86.0964 0.1
+  112.0868 C5H10N3+ 1 112.0869 -1.06
+  113.0709 C5H9N2O+ 1 113.0709 -0.78
+  115.0864 C5H11N2O+ 1 115.0866 -1.48
+  136.0752 H14N3O3S+ 2 136.075 1.33
+  138.0663 C6H8N3O+ 2 138.0662 0.59
+  141.102 C7H13N2O+ 1 141.1022 -1.6
+  150.0908 CH16N3O3S+ 2 150.0907 1.07
+  153.0659 C7H9N2O2+ 3 153.0659 0.3
+  169.0968 H17N4O4S+ 2 169.0965 1.67
+  179.0812 CH15N4O4S+ 2 179.0809 1.75
+  224.0907 C11H14NO4+ 5 224.0917 -4.45
+PK$NUM_PEAK: 14
+PK$PEAK: m/z int. rel.int.
+  70.065 275230.7 683
+  84.0445 15435.4 38
+  86.0964 22080.6 54
+  112.0868 78625.9 195
+  113.0709 90875.3 225
+  115.0864 33050.5 82
+  136.0752 117789.8 292
+  138.0663 29320.8 72
+  141.102 19425.5 48
+  150.0908 402539.3 999
+  153.0659 24662.2 61
+  169.0968 52879.9 131
+  179.0812 92709.2 230
+  224.0907 234978.3 583
+//
diff --git a/Eawag/MSBNK-EAWAG-EC061307.txt b/Eawag/MSBNK-EAWAG-EC061307.txt
new file mode 100644
index 0000000000..5038558833
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC061307.txt
@@ -0,0 +1,83 @@
+ACCESSION: MSBNK-EAWAG-EC061307
+RECORD_TITLE: Oscillapeptin J; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 613
+CH$NAME: Oscillapeptin J
+CH$NAME: (2R)-3-(((2S)-1-(((5S,8S,11S,12S,15S,18S,21R)-8-((R)-sec-butyl)-15-(3-((diaminomethylene)amino)propyl)-21-hydroxy-5-(4-hydroxybenzyl)-2-((R)-1-hydroxyethyl)-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl)amino)-2-hydroxy-3-oxopropyl hydrogen sulfate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C47H68N10O18S
+CH$EXACT_MASS: 1092.443376
+CH$SMILES: CC[C@H]([C@H]1C(O[C@@H](C)[C@H](NC([C@@H](NC([C@H](O)COS(=O)(O)=O)=O)CC2=CC=C(O)C=C2)=O)C(N[C@@H](CCC/N=C(N)\N)C(N[C@H]3CC[C@@H](O)N(C([C@H](O)C)C(N(C)[C@@H](CC4=CC=C(O)C=C4)C(N1)=O)=O)C3=O)=O)=O)=O)C
+CH$IUPAC: InChI=1S/C47H68N10O18S/c1-6-23(2)36-46(70)75-25(4)37(55-40(64)32(20-26-9-13-28(59)14-10-26)53-42(66)34(61)22-74-76(71,72)73)43(67)51-30(8-7-19-50-47(48)49)39(63)52-31-17-18-35(62)57(44(31)68)38(24(3)58)45(69)56(5)33(41(65)54-36)21-27-11-15-29(60)16-12-27/h9-16,23-25,30-38,58-62H,6-8,17-22H2,1-5H3,(H,51,67)(H,52,63)(H,53,66)(H,54,65)(H,55,64)(H4,48,49,50)(H,71,72,73)/t23-,24-,25+,30+,31+,32+,33+,34-,35-,36+,37+,38?/m1/s1
+CH$LINK: PUBCHEM CID: 155802344
+CH$LINK: INCHIKEY TYSLVBJOPFOBFU-WRXHAISRSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1136
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.307 min
+MS$FOCUSED_ION: BASE_PEAK 132.9579
+MS$FOCUSED_ION: PRECURSOR_M/Z 1093.4507
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0fk9-5910000000-eabbea458c86fe3b8ea2
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  56.0495 C3H6N+ 1 56.0495 0.99
+  68.0493 C4H6N+ 1 68.0495 -2.62
+  70.065 C4H8N+ 1 70.0651 -1.82
+  74.0599 C3H8NO+ 1 74.06 -1.85
+  84.0444 C4H6NO+ 1 84.0444 0.15
+  86.0964 C5H12N+ 1 86.0964 -0.08
+  95.0604 C5H7N2+ 1 95.0604 0.66
+  97.076 C5H9N2+ 1 97.076 -0.09
+  107.0493 C7H7O+ 1 107.0491 1.46
+  112.0867 C5H10N3+ 1 112.0869 -2.29
+  113.0707 C5H9N2O+ 1 113.0709 -1.93
+  121.0649 C8H9O+ 1 121.0648 0.68
+  123.0915 C7H11N2+ 1 123.0917 -1.38
+  124.0757 C7H10NO+ 1 124.0757 -0.08
+  136.0753 H14N3O3S+ 2 136.075 2.11
+  138.066 C6H8N3O+ 1 138.0662 -1.07
+  150.0908 CH16N3O3S+ 2 150.0907 0.97
+  151.0863 C8H11N2O+ 2 151.0866 -1.6
+  169.0966 H17N4O4S+ 3 169.0965 0.32
+  179.0813 C9H11N2O2+ 4 179.0815 -0.95
+  224.0906 C11H14NO4+ 5 224.0917 -4.99
+PK$NUM_PEAK: 21
+PK$PEAK: m/z int. rel.int.
+  56.0495 33763.6 74
+  68.0493 51591.9 114
+  70.065 450324.3 999
+  74.0599 75458.2 167
+  84.0444 29454.8 65
+  86.0964 30741 68
+  95.0604 32257 71
+  97.076 19341.7 42
+  107.0493 28426.6 63
+  112.0867 86061.8 190
+  113.0707 60218.3 133
+  121.0649 15363 34
+  123.0915 14295.2 31
+  124.0757 33574.5 74
+  136.0753 347655.8 771
+  138.066 32785.7 72
+  150.0908 400456.6 888
+  151.0863 52432.8 116
+  169.0966 46088 102
+  179.0813 38740.4 85
+  224.0906 192127.6 426
+//
diff --git a/Eawag/MSBNK-EAWAG-EC061308.txt b/Eawag/MSBNK-EAWAG-EC061308.txt
new file mode 100644
index 0000000000..5be135a108
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC061308.txt
@@ -0,0 +1,93 @@
+ACCESSION: MSBNK-EAWAG-EC061308
+RECORD_TITLE: Oscillapeptin J; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 613
+CH$NAME: Oscillapeptin J
+CH$NAME: (2R)-3-(((2S)-1-(((5S,8S,11S,12S,15S,18S,21R)-8-((R)-sec-butyl)-15-(3-((diaminomethylene)amino)propyl)-21-hydroxy-5-(4-hydroxybenzyl)-2-((R)-1-hydroxyethyl)-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl)amino)-2-hydroxy-3-oxopropyl hydrogen sulfate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C47H68N10O18S
+CH$EXACT_MASS: 1092.443376
+CH$SMILES: CC[C@H]([C@H]1C(O[C@@H](C)[C@H](NC([C@@H](NC([C@H](O)COS(=O)(O)=O)=O)CC2=CC=C(O)C=C2)=O)C(N[C@@H](CCC/N=C(N)\N)C(N[C@H]3CC[C@@H](O)N(C([C@H](O)C)C(N(C)[C@@H](CC4=CC=C(O)C=C4)C(N1)=O)=O)C3=O)=O)=O)=O)C
+CH$IUPAC: InChI=1S/C47H68N10O18S/c1-6-23(2)36-46(70)75-25(4)37(55-40(64)32(20-26-9-13-28(59)14-10-26)53-42(66)34(61)22-74-76(71,72)73)43(67)51-30(8-7-19-50-47(48)49)39(63)52-31-17-18-35(62)57(44(31)68)38(24(3)58)45(69)56(5)33(41(65)54-36)21-27-11-15-29(60)16-12-27/h9-16,23-25,30-38,58-62H,6-8,17-22H2,1-5H3,(H,51,67)(H,52,63)(H,53,66)(H,54,65)(H,55,64)(H4,48,49,50)(H,71,72,73)/t23-,24-,25+,30+,31+,32+,33+,34-,35-,36+,37+,38?/m1/s1
+CH$LINK: PUBCHEM CID: 155802344
+CH$LINK: INCHIKEY TYSLVBJOPFOBFU-WRXHAISRSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1136
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.307 min
+MS$FOCUSED_ION: BASE_PEAK 132.9579
+MS$FOCUSED_ION: PRECURSOR_M/Z 1093.4507
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00dr-7900000000-5efbf3928c6235ffc669
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  56.0495 C3H6N+ 1 56.0495 -0.3
+  68.0493 C4H6N+ 1 68.0495 -1.95
+  70.065 C4H8N+ 1 70.0651 -1.82
+  74.0599 C3H8NO+ 1 74.06 -1.75
+  80.0492 C5H6N+ 1 80.0495 -3.88
+  84.0442 C4H6NO+ 1 84.0444 -2.67
+  88.0393 C3H6NO2+ 1 88.0393 -0.54
+  91.0538 C7H7+ 1 91.0542 -4.89
+  95.0602 C5H7N2+ 1 95.0604 -1.99
+  96.0808 C6H10N+ 1 96.0808 0.73
+  97.0759 C5H9N2+ 1 97.076 -1.5
+  107.0488 C7H7O+ 1 107.0491 -3.6
+  112.0868 C5H10N3+ 1 112.0869 -0.86
+  113.0707 C5H9N2O+ 1 113.0709 -2.07
+  115.0866 C5H11N2O+ 1 115.0866 0.05
+  119.0488 H11N2O3S+ 2 119.0485 2.51
+  121.0649 C8H9O+ 1 121.0648 0.49
+  124.0756 C7H10NO+ 1 124.0757 -1.13
+  125.0708 C6H9N2O+ 1 125.0709 -0.9
+  135.0677 H13N3O3S+ 2 135.0672 3.27
+  136.0753 H14N3O3S+ 2 136.075 2.22
+  138.0665 C6H8N3O+ 2 138.0662 2.36
+  141.1021 C7H13N2O+ 1 141.1022 -1.06
+  150.0908 CH16N3O3S+ 2 150.0907 0.97
+  151.0863 C8H11N2O+ 2 151.0866 -2.1
+  224.091 C11H14NO4+ 4 224.0917 -3.29
+PK$NUM_PEAK: 26
+PK$PEAK: m/z int. rel.int.
+  56.0495 45799.6 83
+  68.0493 113485.5 206
+  70.065 549362.6 999
+  74.0599 70708.6 128
+  80.0492 42582.4 77
+  84.0442 41787.1 75
+  88.0393 20894.2 37
+  91.0538 48598.3 88
+  95.0602 51180.9 93
+  96.0808 18924.5 34
+  97.0759 26492.4 48
+  107.0488 54382.6 98
+  112.0868 73976.2 134
+  113.0707 41415.2 75
+  115.0866 31231.2 56
+  119.0488 56766.1 103
+  121.0649 13438.8 24
+  124.0756 25701.2 46
+  125.0708 17445.6 31
+  135.0677 25195.3 45
+  136.0753 521675.4 948
+  138.0665 19849.2 36
+  141.1021 13483.4 24
+  150.0908 316970.7 576
+  151.0863 37342.8 67
+  224.091 72569.9 131
+//
diff --git a/Eawag/MSBNK-EAWAG-EC061309.txt b/Eawag/MSBNK-EAWAG-EC061309.txt
new file mode 100644
index 0000000000..214022945e
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC061309.txt
@@ -0,0 +1,75 @@
+ACCESSION: MSBNK-EAWAG-EC061309
+RECORD_TITLE: Oscillapeptin J; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 613
+CH$NAME: Oscillapeptin J
+CH$NAME: (2R)-3-(((2S)-1-(((5S,8S,11S,12S,15S,18S,21R)-8-((R)-sec-butyl)-15-(3-((diaminomethylene)amino)propyl)-21-hydroxy-5-(4-hydroxybenzyl)-2-((R)-1-hydroxyethyl)-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl)amino)-2-hydroxy-3-oxopropyl hydrogen sulfate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C47H68N10O18S
+CH$EXACT_MASS: 1092.443376
+CH$SMILES: CC[C@H]([C@H]1C(O[C@@H](C)[C@H](NC([C@@H](NC([C@H](O)COS(=O)(O)=O)=O)CC2=CC=C(O)C=C2)=O)C(N[C@@H](CCC/N=C(N)\N)C(N[C@H]3CC[C@@H](O)N(C([C@H](O)C)C(N(C)[C@@H](CC4=CC=C(O)C=C4)C(N1)=O)=O)C3=O)=O)=O)=O)C
+CH$IUPAC: InChI=1S/C47H68N10O18S/c1-6-23(2)36-46(70)75-25(4)37(55-40(64)32(20-26-9-13-28(59)14-10-26)53-42(66)34(61)22-74-76(71,72)73)43(67)51-30(8-7-19-50-47(48)49)39(63)52-31-17-18-35(62)57(44(31)68)38(24(3)58)45(69)56(5)33(41(65)54-36)21-27-11-15-29(60)16-12-27/h9-16,23-25,30-38,58-62H,6-8,17-22H2,1-5H3,(H,51,67)(H,52,63)(H,53,66)(H,54,65)(H,55,64)(H4,48,49,50)(H,71,72,73)/t23-,24-,25+,30+,31+,32+,33+,34-,35-,36+,37+,38?/m1/s1
+CH$LINK: PUBCHEM CID: 155802344
+CH$LINK: INCHIKEY TYSLVBJOPFOBFU-WRXHAISRSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1136
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.307 min
+MS$FOCUSED_ION: BASE_PEAK 132.9579
+MS$FOCUSED_ION: PRECURSOR_M/Z 1093.4507
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00dr-9800000000-7875179894ac53ef4399
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  56.0495 C3H6N+ 1 56.0495 -0.23
+  68.0493 C4H6N+ 1 68.0495 -2.29
+  70.065 C4H8N+ 1 70.0651 -2.37
+  74.0598 C3H8NO+ 1 74.06 -3.19
+  80.0493 C5H6N+ 1 80.0495 -2.74
+  84.0443 C4H6NO+ 1 84.0444 -0.76
+  91.0541 C7H7+ 1 91.0542 -1.7
+  96.0443 C5H6NO+ 1 96.0444 -0.93
+  96.0806 C6H10N+ 1 96.0808 -1.65
+  97.0757 C5H9N2+ 1 97.076 -3.55
+  107.049 C7H7O+ 1 107.0491 -1.54
+  112.0866 C5H10N3+ 1 112.0869 -2.69
+  115.0867 C5H11N2O+ 1 115.0866 1.37
+  119.0487 H11N2O3S+ 2 119.0485 1.55
+  136.0753 H14N3O3S+ 2 136.075 2
+  150.0907 CH16N3O3S+ 3 150.0907 0.36
+  151.0865 C8H11N2O+ 3 151.0866 -0.39
+PK$NUM_PEAK: 17
+PK$PEAK: m/z int. rel.int.
+  56.0495 30192.5 69
+  68.0493 113869.6 262
+  70.065 433551.4 999
+  74.0598 50886.4 117
+  80.0493 50894.4 117
+  84.0443 35725.1 82
+  91.0541 103467.5 238
+  96.0443 23034.6 53
+  96.0806 21251.3 48
+  97.0757 18494.8 42
+  107.049 60275.9 138
+  112.0866 46831.5 107
+  115.0867 15344.7 35
+  119.0487 113059.9 260
+  136.0753 415807.1 958
+  150.0907 215476.2 496
+  151.0865 13821.5 31
+//
diff --git a/Eawag/MSBNK-EAWAG-EC061351.txt b/Eawag/MSBNK-EAWAG-EC061351.txt
new file mode 100644
index 0000000000..b070aa7bb5
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC061351.txt
@@ -0,0 +1,43 @@
+ACCESSION: MSBNK-EAWAG-EC061351
+RECORD_TITLE: Oscillapeptin J; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 613
+CH$NAME: Oscillapeptin J
+CH$NAME: (2R)-3-(((2S)-1-(((5S,8S,11S,12S,15S,18S,21R)-8-((R)-sec-butyl)-15-(3-((diaminomethylene)amino)propyl)-21-hydroxy-5-(4-hydroxybenzyl)-2-((R)-1-hydroxyethyl)-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl)amino)-2-hydroxy-3-oxopropyl hydrogen sulfate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C47H68N10O18S
+CH$EXACT_MASS: 1092.443376
+CH$SMILES: CC[C@H]([C@H]1C(O[C@@H](C)[C@H](NC([C@@H](NC([C@H](O)COS(=O)(O)=O)=O)CC2=CC=C(O)C=C2)=O)C(N[C@@H](CCC/N=C(N)\N)C(N[C@H]3CC[C@@H](O)N(C([C@H](O)C)C(N(C)[C@@H](CC4=CC=C(O)C=C4)C(N1)=O)=O)C3=O)=O)=O)=O)C
+CH$IUPAC: InChI=1S/C47H68N10O18S/c1-6-23(2)36-46(70)75-25(4)37(55-40(64)32(20-26-9-13-28(59)14-10-26)53-42(66)34(61)22-74-76(71,72)73)43(67)51-30(8-7-19-50-47(48)49)39(63)52-31-17-18-35(62)57(44(31)68)38(24(3)58)45(69)56(5)33(41(65)54-36)21-27-11-15-29(60)16-12-27/h9-16,23-25,30-38,58-62H,6-8,17-22H2,1-5H3,(H,51,67)(H,52,63)(H,53,66)(H,54,65)(H,55,64)(H4,48,49,50)(H,71,72,73)/t23-,24-,25+,30+,31+,32+,33+,34-,35-,36+,37+,38?/m1/s1
+CH$LINK: PUBCHEM CID: 11768341
+CH$LINK: INCHIKEY TYSLVBJOPFOBFU-WRXHAISRSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1134
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.321 min
+MS$FOCUSED_ION: BASE_PEAK 1077.421
+MS$FOCUSED_ION: PRECURSOR_M/Z 1091.4361
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0006-9000000000-deb1052d0a58439d74ea
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  1091.4362 C47H67N10O18S- 1 1091.4361 0.13
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  1091.4362 1943882.6 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC061352.txt b/Eawag/MSBNK-EAWAG-EC061352.txt
new file mode 100644
index 0000000000..14e3515d8d
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC061352.txt
@@ -0,0 +1,43 @@
+ACCESSION: MSBNK-EAWAG-EC061352
+RECORD_TITLE: Oscillapeptin J; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 613
+CH$NAME: Oscillapeptin J
+CH$NAME: (2R)-3-(((2S)-1-(((5S,8S,11S,12S,15S,18S,21R)-8-((R)-sec-butyl)-15-(3-((diaminomethylene)amino)propyl)-21-hydroxy-5-(4-hydroxybenzyl)-2-((R)-1-hydroxyethyl)-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl)amino)-2-hydroxy-3-oxopropyl hydrogen sulfate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C47H68N10O18S
+CH$EXACT_MASS: 1092.443376
+CH$SMILES: CC[C@H]([C@H]1C(O[C@@H](C)[C@H](NC([C@@H](NC([C@H](O)COS(=O)(O)=O)=O)CC2=CC=C(O)C=C2)=O)C(N[C@@H](CCC/N=C(N)\N)C(N[C@H]3CC[C@@H](O)N(C([C@H](O)C)C(N(C)[C@@H](CC4=CC=C(O)C=C4)C(N1)=O)=O)C3=O)=O)=O)=O)C
+CH$IUPAC: InChI=1S/C47H68N10O18S/c1-6-23(2)36-46(70)75-25(4)37(55-40(64)32(20-26-9-13-28(59)14-10-26)53-42(66)34(61)22-74-76(71,72)73)43(67)51-30(8-7-19-50-47(48)49)39(63)52-31-17-18-35(62)57(44(31)68)38(24(3)58)45(69)56(5)33(41(65)54-36)21-27-11-15-29(60)16-12-27/h9-16,23-25,30-38,58-62H,6-8,17-22H2,1-5H3,(H,51,67)(H,52,63)(H,53,66)(H,54,65)(H,55,64)(H4,48,49,50)(H,71,72,73)/t23-,24-,25+,30+,31+,32+,33+,34-,35-,36+,37+,38?/m1/s1
+CH$LINK: PUBCHEM CID: 11768341
+CH$LINK: INCHIKEY TYSLVBJOPFOBFU-WRXHAISRSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1134
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.321 min
+MS$FOCUSED_ION: BASE_PEAK 1077.421
+MS$FOCUSED_ION: PRECURSOR_M/Z 1091.4361
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0006-9000000000-2db4b95270fbafeea74d
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  1091.4357 C47H67N10O18S- 1 1091.4361 -0.32
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  1091.4357 1359398 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC061353.txt b/Eawag/MSBNK-EAWAG-EC061353.txt
new file mode 100644
index 0000000000..e528c92ee0
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC061353.txt
@@ -0,0 +1,47 @@
+ACCESSION: MSBNK-EAWAG-EC061353
+RECORD_TITLE: Oscillapeptin J; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 613
+CH$NAME: Oscillapeptin J
+CH$NAME: (2R)-3-(((2S)-1-(((5S,8S,11S,12S,15S,18S,21R)-8-((R)-sec-butyl)-15-(3-((diaminomethylene)amino)propyl)-21-hydroxy-5-(4-hydroxybenzyl)-2-((R)-1-hydroxyethyl)-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl)amino)-2-hydroxy-3-oxopropyl hydrogen sulfate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C47H68N10O18S
+CH$EXACT_MASS: 1092.443376
+CH$SMILES: CC[C@H]([C@H]1C(O[C@@H](C)[C@H](NC([C@@H](NC([C@H](O)COS(=O)(O)=O)=O)CC2=CC=C(O)C=C2)=O)C(N[C@@H](CCC/N=C(N)\N)C(N[C@H]3CC[C@@H](O)N(C([C@H](O)C)C(N(C)[C@@H](CC4=CC=C(O)C=C4)C(N1)=O)=O)C3=O)=O)=O)=O)C
+CH$IUPAC: InChI=1S/C47H68N10O18S/c1-6-23(2)36-46(70)75-25(4)37(55-40(64)32(20-26-9-13-28(59)14-10-26)53-42(66)34(61)22-74-76(71,72)73)43(67)51-30(8-7-19-50-47(48)49)39(63)52-31-17-18-35(62)57(44(31)68)38(24(3)58)45(69)56(5)33(41(65)54-36)21-27-11-15-29(60)16-12-27/h9-16,23-25,30-38,58-62H,6-8,17-22H2,1-5H3,(H,51,67)(H,52,63)(H,53,66)(H,54,65)(H,55,64)(H4,48,49,50)(H,71,72,73)/t23-,24-,25+,30+,31+,32+,33+,34-,35-,36+,37+,38?/m1/s1
+CH$LINK: PUBCHEM CID: 11768341
+CH$LINK: INCHIKEY TYSLVBJOPFOBFU-WRXHAISRSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1134
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.321 min
+MS$FOCUSED_ION: BASE_PEAK 1077.421
+MS$FOCUSED_ION: PRECURSOR_M/Z 1091.4361
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0006-9000000000-ef800faf52991826d6df
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  96.96 HO4S- 1 96.9601 -0.98
+  1011.4792 C47H67N10O15- 1 1011.4793 -0.1
+  1091.436 C47H67N10O18S- 1 1091.4361 -0.1
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  96.96 27481.7 41
+  1011.4792 128399.9 193
+  1091.436 661440.9 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC061354.txt b/Eawag/MSBNK-EAWAG-EC061354.txt
new file mode 100644
index 0000000000..a9945ff98e
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC061354.txt
@@ -0,0 +1,47 @@
+ACCESSION: MSBNK-EAWAG-EC061354
+RECORD_TITLE: Oscillapeptin J; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 613
+CH$NAME: Oscillapeptin J
+CH$NAME: (2R)-3-(((2S)-1-(((5S,8S,11S,12S,15S,18S,21R)-8-((R)-sec-butyl)-15-(3-((diaminomethylene)amino)propyl)-21-hydroxy-5-(4-hydroxybenzyl)-2-((R)-1-hydroxyethyl)-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl)amino)-2-hydroxy-3-oxopropyl hydrogen sulfate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C47H68N10O18S
+CH$EXACT_MASS: 1092.443376
+CH$SMILES: CC[C@H]([C@H]1C(O[C@@H](C)[C@H](NC([C@@H](NC([C@H](O)COS(=O)(O)=O)=O)CC2=CC=C(O)C=C2)=O)C(N[C@@H](CCC/N=C(N)\N)C(N[C@H]3CC[C@@H](O)N(C([C@H](O)C)C(N(C)[C@@H](CC4=CC=C(O)C=C4)C(N1)=O)=O)C3=O)=O)=O)=O)C
+CH$IUPAC: InChI=1S/C47H68N10O18S/c1-6-23(2)36-46(70)75-25(4)37(55-40(64)32(20-26-9-13-28(59)14-10-26)53-42(66)34(61)22-74-76(71,72)73)43(67)51-30(8-7-19-50-47(48)49)39(63)52-31-17-18-35(62)57(44(31)68)38(24(3)58)45(69)56(5)33(41(65)54-36)21-27-11-15-29(60)16-12-27/h9-16,23-25,30-38,58-62H,6-8,17-22H2,1-5H3,(H,51,67)(H,52,63)(H,53,66)(H,54,65)(H,55,64)(H4,48,49,50)(H,71,72,73)/t23-,24-,25+,30+,31+,32+,33+,34-,35-,36+,37+,38?/m1/s1
+CH$LINK: PUBCHEM CID: 11768341
+CH$LINK: INCHIKEY TYSLVBJOPFOBFU-WRXHAISRSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1134
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.321 min
+MS$FOCUSED_ION: BASE_PEAK 1077.421
+MS$FOCUSED_ION: PRECURSOR_M/Z 1091.4361
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03dm-9000000000-9e4d2f8b7b4947941fc5
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  96.9599 HO4S- 1 96.9601 -2.08
+  1011.4786 C47H67N10O15- 1 1011.4793 -0.64
+  1091.4339 C47H67N10O18S- 1 1091.4361 -2
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  96.9599 108763.1 693
+  1011.4786 156783.8 999
+  1091.4339 119393.3 760
+//
diff --git a/Eawag/MSBNK-EAWAG-EC061355.txt b/Eawag/MSBNK-EAWAG-EC061355.txt
new file mode 100644
index 0000000000..dae3b142a2
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC061355.txt
@@ -0,0 +1,57 @@
+ACCESSION: MSBNK-EAWAG-EC061355
+RECORD_TITLE: Oscillapeptin J; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 613
+CH$NAME: Oscillapeptin J
+CH$NAME: (2R)-3-(((2S)-1-(((5S,8S,11S,12S,15S,18S,21R)-8-((R)-sec-butyl)-15-(3-((diaminomethylene)amino)propyl)-21-hydroxy-5-(4-hydroxybenzyl)-2-((R)-1-hydroxyethyl)-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl)amino)-2-hydroxy-3-oxopropyl hydrogen sulfate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C47H68N10O18S
+CH$EXACT_MASS: 1092.443376
+CH$SMILES: CC[C@H]([C@H]1C(O[C@@H](C)[C@H](NC([C@@H](NC([C@H](O)COS(=O)(O)=O)=O)CC2=CC=C(O)C=C2)=O)C(N[C@@H](CCC/N=C(N)\N)C(N[C@H]3CC[C@@H](O)N(C([C@H](O)C)C(N(C)[C@@H](CC4=CC=C(O)C=C4)C(N1)=O)=O)C3=O)=O)=O)=O)C
+CH$IUPAC: InChI=1S/C47H68N10O18S/c1-6-23(2)36-46(70)75-25(4)37(55-40(64)32(20-26-9-13-28(59)14-10-26)53-42(66)34(61)22-74-76(71,72)73)43(67)51-30(8-7-19-50-47(48)49)39(63)52-31-17-18-35(62)57(44(31)68)38(24(3)58)45(69)56(5)33(41(65)54-36)21-27-11-15-29(60)16-12-27/h9-16,23-25,30-38,58-62H,6-8,17-22H2,1-5H3,(H,51,67)(H,52,63)(H,53,66)(H,54,65)(H,55,64)(H4,48,49,50)(H,71,72,73)/t23-,24-,25+,30+,31+,32+,33+,34-,35-,36+,37+,38?/m1/s1
+CH$LINK: PUBCHEM CID: 11768341
+CH$LINK: INCHIKEY TYSLVBJOPFOBFU-WRXHAISRSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1134
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.321 min
+MS$FOCUSED_ION: BASE_PEAK 1077.421
+MS$FOCUSED_ION: PRECURSOR_M/Z 1091.4361
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0002-9120000000-341ba94f733f9e075d0a
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  96.9599 HO4S- 1 96.9601 -1.85
+  104.0357 C3H6NO3- 1 104.0353 3.68
+  127.0513 C5H7N2O2- 1 127.0513 0.23
+  144.0303 C5H6NO4- 1 144.0302 0.77
+  212.1148 CH24O9S- 5 212.1147 0.82
+  226.0825 CH16N5O6S- 4 226.0827 -0.75
+  232.0611 C4H14N3O6S- 6 232.0609 0.86
+  413.0643 C7H17N4O16- 17 413.0645 -0.48
+PK$NUM_PEAK: 8
+PK$PEAK: m/z int. rel.int.
+  96.9599 396942.2 999
+  104.0357 13744 34
+  127.0513 26712.5 67
+  144.0303 31670.7 79
+  212.1148 35627.4 89
+  226.0825 53131 133
+  232.0611 17856.9 44
+  413.0643 36131.4 90
+//
diff --git a/Eawag/MSBNK-EAWAG-EC061356.txt b/Eawag/MSBNK-EAWAG-EC061356.txt
new file mode 100644
index 0000000000..d607b9bf8b
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC061356.txt
@@ -0,0 +1,95 @@
+ACCESSION: MSBNK-EAWAG-EC061356
+RECORD_TITLE: Oscillapeptin J; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 613
+CH$NAME: Oscillapeptin J
+CH$NAME: (2R)-3-(((2S)-1-(((5S,8S,11S,12S,15S,18S,21R)-8-((R)-sec-butyl)-15-(3-((diaminomethylene)amino)propyl)-21-hydroxy-5-(4-hydroxybenzyl)-2-((R)-1-hydroxyethyl)-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl)amino)-2-hydroxy-3-oxopropyl hydrogen sulfate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C47H68N10O18S
+CH$EXACT_MASS: 1092.443376
+CH$SMILES: CC[C@H]([C@H]1C(O[C@@H](C)[C@H](NC([C@@H](NC([C@H](O)COS(=O)(O)=O)=O)CC2=CC=C(O)C=C2)=O)C(N[C@@H](CCC/N=C(N)\N)C(N[C@H]3CC[C@@H](O)N(C([C@H](O)C)C(N(C)[C@@H](CC4=CC=C(O)C=C4)C(N1)=O)=O)C3=O)=O)=O)=O)C
+CH$IUPAC: InChI=1S/C47H68N10O18S/c1-6-23(2)36-46(70)75-25(4)37(55-40(64)32(20-26-9-13-28(59)14-10-26)53-42(66)34(61)22-74-76(71,72)73)43(67)51-30(8-7-19-50-47(48)49)39(63)52-31-17-18-35(62)57(44(31)68)38(24(3)58)45(69)56(5)33(41(65)54-36)21-27-11-15-29(60)16-12-27/h9-16,23-25,30-38,58-62H,6-8,17-22H2,1-5H3,(H,51,67)(H,52,63)(H,53,66)(H,54,65)(H,55,64)(H4,48,49,50)(H,71,72,73)/t23-,24-,25+,30+,31+,32+,33+,34-,35-,36+,37+,38?/m1/s1
+CH$LINK: PUBCHEM CID: 11768341
+CH$LINK: INCHIKEY TYSLVBJOPFOBFU-WRXHAISRSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1134
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.321 min
+MS$FOCUSED_ION: BASE_PEAK 1077.421
+MS$FOCUSED_ION: PRECURSOR_M/Z 1091.4361
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0002-6930000000-0849cd729b641a8ece9d
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  74.0249 C2H4NO2- 1 74.0248 1.48
+  87.0564 C3H7N2O- 1 87.0564 -0.17
+  95.0252 C4H3N2O- 1 95.0251 1.18
+  96.96 HO4S- 1 96.9601 -1.06
+  99.0563 C4H7N2O- 1 99.0564 -0.82
+  100.0406 C4H6NO2- 1 100.0404 2.25
+  113.0356 C4H5N2O2- 1 113.0357 -0.11
+  114.0198 C4H4NO3- 1 114.0197 0.75
+  119.0502 C8H7O- 1 119.0502 -0.4
+  126.0198 C5H4NO3- 1 126.0197 0.74
+  127.0512 C5H7N2O2- 1 127.0513 -1.15
+  130.0872 C6H12NO2- 1 130.0874 -1.19
+  131.0464 C4H7N2O3- 1 131.0462 1.67
+  139.0513 C6H7N2O2- 2 139.0513 0.08
+  144.0298 C5H6NO4- 1 144.0302 -2.72
+  170.0569 C6H8N3O3- 1 170.0571 -1.36
+  170.0929 C7H12N3O2- 2 170.0935 -3.39
+  184.0725 C7H10N3O3- 3 184.0728 -1.24
+  195.0882 H15N6O4S- 4 195.0881 0.34
+  196.072 H14N5O5S- 3 196.0721 -0.41
+  209.0929 C10H13N2O3- 4 209.0932 -1.25
+  214.0825 H16N5O6S- 4 214.0827 -1.03
+  232.0609 C4H14N3O6S- 4 232.0609 0.07
+  232.1336 C14H18NO2- 3 232.1343 -3.21
+  233.0923 C4H17N4O5S- 5 233.0925 -0.8
+  245.0936 C5H17N4O5S- 5 245.0925 4.34
+  307.1652 C14H21N5O3- 8 307.165 0.64
+PK$NUM_PEAK: 27
+PK$PEAK: m/z int. rel.int.
+  74.0249 28732.1 44
+  87.0564 18841 29
+  95.0252 21435.5 32
+  96.96 648927 999
+  99.0563 48569.9 74
+  100.0406 13744.5 21
+  113.0356 52020.6 80
+  114.0198 68206.1 105
+  119.0502 100816.5 155
+  126.0198 30805.8 47
+  127.0512 145730.5 224
+  130.0872 168619.1 259
+  131.0464 31739.9 48
+  139.0513 43004.2 66
+  144.0298 64260.1 98
+  170.0569 55655.2 85
+  170.0929 32474.9 49
+  184.0725 33671.6 51
+  195.0882 47550.7 73
+  196.072 141552.3 217
+  209.0929 12419.9 19
+  214.0825 75864.9 116
+  232.0609 29746 45
+  232.1336 78691.6 121
+  233.0923 132324.4 203
+  245.0936 26596.2 40
+  307.1652 94125.8 144
+//
diff --git a/Eawag/MSBNK-EAWAG-EC061357.txt b/Eawag/MSBNK-EAWAG-EC061357.txt
new file mode 100644
index 0000000000..ae571e458d
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC061357.txt
@@ -0,0 +1,103 @@
+ACCESSION: MSBNK-EAWAG-EC061357
+RECORD_TITLE: Oscillapeptin J; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 613
+CH$NAME: Oscillapeptin J
+CH$NAME: (2R)-3-(((2S)-1-(((5S,8S,11S,12S,15S,18S,21R)-8-((R)-sec-butyl)-15-(3-((diaminomethylene)amino)propyl)-21-hydroxy-5-(4-hydroxybenzyl)-2-((R)-1-hydroxyethyl)-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl)amino)-2-hydroxy-3-oxopropyl hydrogen sulfate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C47H68N10O18S
+CH$EXACT_MASS: 1092.443376
+CH$SMILES: CC[C@H]([C@H]1C(O[C@@H](C)[C@H](NC([C@@H](NC([C@H](O)COS(=O)(O)=O)=O)CC2=CC=C(O)C=C2)=O)C(N[C@@H](CCC/N=C(N)\N)C(N[C@H]3CC[C@@H](O)N(C([C@H](O)C)C(N(C)[C@@H](CC4=CC=C(O)C=C4)C(N1)=O)=O)C3=O)=O)=O)=O)C
+CH$IUPAC: InChI=1S/C47H68N10O18S/c1-6-23(2)36-46(70)75-25(4)37(55-40(64)32(20-26-9-13-28(59)14-10-26)53-42(66)34(61)22-74-76(71,72)73)43(67)51-30(8-7-19-50-47(48)49)39(63)52-31-17-18-35(62)57(44(31)68)38(24(3)58)45(69)56(5)33(41(65)54-36)21-27-11-15-29(60)16-12-27/h9-16,23-25,30-38,58-62H,6-8,17-22H2,1-5H3,(H,51,67)(H,52,63)(H,53,66)(H,54,65)(H,55,64)(H4,48,49,50)(H,71,72,73)/t23-,24-,25+,30+,31+,32+,33+,34-,35-,36+,37+,38?/m1/s1
+CH$LINK: PUBCHEM CID: 11768341
+CH$LINK: INCHIKEY TYSLVBJOPFOBFU-WRXHAISRSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1134
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.321 min
+MS$FOCUSED_ION: BASE_PEAK 1077.421
+MS$FOCUSED_ION: PRECURSOR_M/Z 1091.4361
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0002-5900000000-f76c30258b832203af00
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  73.0409 C2H5N2O- 1 73.0407 1.93
+  79.9576 O3S- 1 79.9574 3.09
+  87.0563 C3H7N2O- 1 87.0564 -1.22
+  93.0346 C6H5O- 1 93.0346 0.42
+  95.025 C4H3N2O- 1 95.0251 -1.06
+  96.96 HO4S- 1 96.9601 -1.14
+  104.0354 C3H6NO3- 1 104.0353 1.11
+  107.0502 C7H7O- 1 107.0502 -0.42
+  111.02 C4H3N2O2- 1 111.02 -0.33
+  113.0355 C4H5N2O2- 1 113.0357 -0.99
+  113.072 C5H9N2O- 1 113.072 -0.59
+  114.0196 C4H4NO3- 1 114.0197 -0.19
+  119.05 C8H7O- 2 119.0502 -1.62
+  121.0409 C6H5N2O- 2 121.0407 1.08
+  125.0356 C5H5N2O2- 1 125.0357 -0.26
+  127.0511 C5H7N2O2- 1 127.0513 -1.93
+  130.0874 C6H12NO2- 1 130.0874 0.22
+  130.0989 C5H12N3O- 1 130.0986 2.42
+  139.0512 C6H7N2O2- 1 139.0513 -0.46
+  143.0456 C5H7N2O3- 1 143.0462 -4.12
+  144.0777 C5H10N3O2- 1 144.0779 -1.32
+  153.0671 C7H9N2O2- 3 153.067 0.98
+  155.1191 C8H15N2O- 3 155.119 0.59
+  156.0782 C6H10N3O2- 2 156.0779 1.97
+  162.0557 CH12N3O4S- 2 162.0554 1.9
+  170.0566 C6H8N3O3- 2 170.0571 -2.98
+  171.0769 C7H11N2O3- 2 171.0775 -3.73
+  196.0721 H14N5O5S- 3 196.0721 -0.18
+  214.0826 H16N5O6S- 4 214.0827 -0.46
+  227.0819 C13H11N2O2- 3 227.0826 -2.9
+  258.1567 C3H30O10S- 6 258.1565 0.65
+PK$NUM_PEAK: 31
+PK$PEAK: m/z int. rel.int.
+  73.0409 22996.3 28
+  79.9576 26644.1 33
+  87.0563 60413.5 75
+  93.0346 37383.1 46
+  95.025 38688.9 48
+  96.96 800758.4 999
+  104.0354 29649.1 36
+  107.0502 25440.4 31
+  111.02 29156.7 36
+  113.0355 132940.2 165
+  113.072 34217.3 42
+  114.0196 99426.1 124
+  119.05 188157.7 234
+  121.0409 28786.6 35
+  125.0356 81992.5 102
+  127.0511 195787.9 244
+  130.0874 214690.4 267
+  130.0989 46829 58
+  139.0512 45119.9 56
+  143.0456 11516.7 14
+  144.0777 88353.8 110
+  153.0671 30469.3 38
+  155.1191 25750.5 32
+  156.0782 34206.4 42
+  162.0557 27173.7 33
+  170.0566 61170.5 76
+  171.0769 51480.3 64
+  196.0721 183170 228
+  214.0826 34146.5 42
+  227.0819 33850.9 42
+  258.1567 79782.9 99
+//
diff --git a/Eawag/MSBNK-EAWAG-EC061358.txt b/Eawag/MSBNK-EAWAG-EC061358.txt
new file mode 100644
index 0000000000..bf4d496e05
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC061358.txt
@@ -0,0 +1,121 @@
+ACCESSION: MSBNK-EAWAG-EC061358
+RECORD_TITLE: Oscillapeptin J; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 613
+CH$NAME: Oscillapeptin J
+CH$NAME: (2R)-3-(((2S)-1-(((5S,8S,11S,12S,15S,18S,21R)-8-((R)-sec-butyl)-15-(3-((diaminomethylene)amino)propyl)-21-hydroxy-5-(4-hydroxybenzyl)-2-((R)-1-hydroxyethyl)-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl)amino)-2-hydroxy-3-oxopropyl hydrogen sulfate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C47H68N10O18S
+CH$EXACT_MASS: 1092.443376
+CH$SMILES: CC[C@H]([C@H]1C(O[C@@H](C)[C@H](NC([C@@H](NC([C@H](O)COS(=O)(O)=O)=O)CC2=CC=C(O)C=C2)=O)C(N[C@@H](CCC/N=C(N)\N)C(N[C@H]3CC[C@@H](O)N(C([C@H](O)C)C(N(C)[C@@H](CC4=CC=C(O)C=C4)C(N1)=O)=O)C3=O)=O)=O)=O)C
+CH$IUPAC: InChI=1S/C47H68N10O18S/c1-6-23(2)36-46(70)75-25(4)37(55-40(64)32(20-26-9-13-28(59)14-10-26)53-42(66)34(61)22-74-76(71,72)73)43(67)51-30(8-7-19-50-47(48)49)39(63)52-31-17-18-35(62)57(44(31)68)38(24(3)58)45(69)56(5)33(41(65)54-36)21-27-11-15-29(60)16-12-27/h9-16,23-25,30-38,58-62H,6-8,17-22H2,1-5H3,(H,51,67)(H,52,63)(H,53,66)(H,54,65)(H,55,64)(H4,48,49,50)(H,71,72,73)/t23-,24-,25+,30+,31+,32+,33+,34-,35-,36+,37+,38?/m1/s1
+CH$LINK: PUBCHEM CID: 11768341
+CH$LINK: INCHIKEY TYSLVBJOPFOBFU-WRXHAISRSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1134
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.321 min
+MS$FOCUSED_ION: BASE_PEAK 1077.421
+MS$FOCUSED_ION: PRECURSOR_M/Z 1091.4361
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0002-6900000000-7895dd2e76f63add6333
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  73.0407 C2H5N2O- 1 73.0407 0.05
+  74.0247 C2H4NO2- 1 74.0248 -0.99
+  79.9575 O3S- 1 79.9574 1.85
+  83.0252 C3H3N2O- 1 83.0251 1.39
+  84.009 C3H2NO2- 1 84.0091 -1.09
+  85.0407 C3H5N2O- 1 85.0407 0.11
+  87.0563 C3H7N2O- 1 87.0564 -0.87
+  93.0346 C6H5O- 1 93.0346 0.5
+  95.025 C4H3N2O- 1 95.0251 -1.38
+  96.96 HO4S- 1 96.9601 -1.06
+  99.0564 C4H7N2O- 1 99.0564 0.18
+  104.0352 C3H6NO3- 1 104.0353 -1.24
+  111.02 C4H3N2O2- 1 111.02 0.15
+  111.0563 C5H7N2O- 1 111.0564 -1.03
+  113.0355 C4H5N2O2- 1 113.0357 -0.92
+  113.0718 C5H9N2O- 1 113.072 -1.94
+  114.0195 C4H4NO3- 1 114.0197 -1.39
+  119.0502 C8H7O- 2 119.0502 -0.53
+  121.0407 C6H5N2O- 1 121.0407 -0.18
+  125.0356 C5H5N2O2- 1 125.0357 -0.56
+  127.0512 C5H7N2O2- 1 127.0513 -0.91
+  130.0874 C6H12NO2- 2 130.0874 0.69
+  130.0989 C5H12N3O- 1 130.0986 2.54
+  131.0464 C4H7N2O3- 1 131.0462 1.67
+  134.0612 C8H8NO- 2 134.0611 0.25
+  138.0671 C6H8N3O- 1 138.0673 -1.66
+  139.0513 C6H7N2O2- 2 139.0513 0.08
+  143.1187 C7H15N2O- 1 143.119 -1.79
+  144.0775 C5H10N3O2- 1 144.0779 -2.17
+  153.0671 C7H9N2O2- 3 153.067 0.78
+  156.078 C6H10N3O2- 2 156.0779 0.8
+  162.0556 CH12N3O4S- 2 162.0554 1.43
+  170.0568 C6H8N3O3- 1 170.0571 -1.99
+  170.0928 C5H10N6O- 2 170.0922 3.88
+  171.0768 C5H9N5O2- 2 171.0762 3.85
+  184.0733 C7H10N3O3- 4 184.0728 2.74
+  200.1406 CH22N5O4S- 4 200.1398 4.22
+  201.1359 H21N6O4S- 4 201.135 4.22
+  232.1345 C14H18NO2- 5 232.1343 0.67
+  258.1567 C3H30O10S- 6 258.1565 0.53
+PK$NUM_PEAK: 40
+PK$PEAK: m/z int. rel.int.
+  73.0407 43623.2 55
+  74.0247 92137.3 116
+  79.9575 34150.9 43
+  83.0252 19889.2 25
+  84.009 54487.2 69
+  85.0407 22188 28
+  87.0563 104417 132
+  93.0346 37304.7 47
+  95.025 52315.5 66
+  96.96 787961.2 999
+  99.0564 36475.9 46
+  104.0352 27213.1 34
+  111.02 33113.2 41
+  111.0563 30486.6 38
+  113.0355 197801 250
+  113.0718 67016.9 84
+  114.0195 79745.8 101
+  119.0502 288404.9 365
+  121.0407 27041.6 34
+  125.0356 72951.3 92
+  127.0512 180647.8 229
+  130.0874 204129.4 258
+  130.0989 50996.9 64
+  131.0464 40543.8 51
+  134.0612 29259.2 37
+  138.0671 50035.9 63
+  139.0513 34626.7 43
+  143.1187 36164 45
+  144.0775 122657.9 155
+  153.0671 23041.4 29
+  156.078 31955.2 40
+  162.0556 24186.5 30
+  170.0568 40780.1 51
+  170.0928 48659.2 61
+  171.0768 21518.6 27
+  184.0733 33021.3 41
+  200.1406 16891 21
+  201.1359 55301.7 70
+  232.1345 30368.1 38
+  258.1567 38741.1 49
+//
diff --git a/Eawag/MSBNK-EAWAG-EC061359.txt b/Eawag/MSBNK-EAWAG-EC061359.txt
new file mode 100644
index 0000000000..d7b12ddab7
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC061359.txt
@@ -0,0 +1,83 @@
+ACCESSION: MSBNK-EAWAG-EC061359
+RECORD_TITLE: Oscillapeptin J; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 613
+CH$NAME: Oscillapeptin J
+CH$NAME: (2R)-3-(((2S)-1-(((5S,8S,11S,12S,15S,18S,21R)-8-((R)-sec-butyl)-15-(3-((diaminomethylene)amino)propyl)-21-hydroxy-5-(4-hydroxybenzyl)-2-((R)-1-hydroxyethyl)-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl)amino)-2-hydroxy-3-oxopropyl hydrogen sulfate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C47H68N10O18S
+CH$EXACT_MASS: 1092.443376
+CH$SMILES: CC[C@H]([C@H]1C(O[C@@H](C)[C@H](NC([C@@H](NC([C@H](O)COS(=O)(O)=O)=O)CC2=CC=C(O)C=C2)=O)C(N[C@@H](CCC/N=C(N)\N)C(N[C@H]3CC[C@@H](O)N(C([C@H](O)C)C(N(C)[C@@H](CC4=CC=C(O)C=C4)C(N1)=O)=O)C3=O)=O)=O)=O)C
+CH$IUPAC: InChI=1S/C47H68N10O18S/c1-6-23(2)36-46(70)75-25(4)37(55-40(64)32(20-26-9-13-28(59)14-10-26)53-42(66)34(61)22-74-76(71,72)73)43(67)51-30(8-7-19-50-47(48)49)39(63)52-31-17-18-35(62)57(44(31)68)38(24(3)58)45(69)56(5)33(41(65)54-36)21-27-11-15-29(60)16-12-27/h9-16,23-25,30-38,58-62H,6-8,17-22H2,1-5H3,(H,51,67)(H,52,63)(H,53,66)(H,54,65)(H,55,64)(H4,48,49,50)(H,71,72,73)/t23-,24-,25+,30+,31+,32+,33+,34-,35-,36+,37+,38?/m1/s1
+CH$LINK: PUBCHEM CID: 11768341
+CH$LINK: INCHIKEY TYSLVBJOPFOBFU-WRXHAISRSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1134
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.321 min
+MS$FOCUSED_ION: BASE_PEAK 1077.421
+MS$FOCUSED_ION: PRECURSOR_M/Z 1091.4361
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0002-9700000000-3e9cf30883654b8408f1
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  73.0407 C2H5N2O- 1 73.0407 -0.15
+  74.0248 C2H4NO2- 1 74.0248 0.45
+  79.9573 O3S- 1 79.9574 -1.4
+  87.0563 C3H7N2O- 1 87.0564 -1.49
+  93.0346 C6H5O- 1 93.0346 0.09
+  95.0249 C4H3N2O- 1 95.0251 -1.63
+  96.0092 C4H2NO2- 1 96.0091 1.08
+  96.96 HO4S- 1 96.9601 -1.53
+  111.0196 C4H3N2O2- 1 111.02 -3.97
+  111.0562 C5H7N2O- 1 111.0564 -2.06
+  113.0357 C4H5N2O2- 1 113.0357 0.3
+  113.0719 C5H9N2O- 1 113.072 -0.99
+  114.0196 C4H4NO3- 1 114.0197 -0.59
+  119.0501 C8H7O- 2 119.0502 -1.17
+  121.0407 C6H5N2O- 1 121.0407 -0.3
+  125.0357 C5H5N2O2- 1 125.0357 0.54
+  130.0873 C6H12NO2- 1 130.0874 -0.14
+  130.0988 C5H12N3O- 1 130.0986 1.83
+  144.0774 C5H10N3O2- 1 144.0779 -3.23
+  170.0934 C7H12N3O2- 3 170.0935 -0.34
+  201.135 H21N6O4S- 4 201.135 -0.49
+PK$NUM_PEAK: 21
+PK$PEAK: m/z int. rel.int.
+  73.0407 57986.8 71
+  74.0248 74000.8 91
+  79.9573 54044.4 66
+  87.0563 141574.3 174
+  93.0346 26961.8 33
+  95.0249 49904.4 61
+  96.0092 22137.3 27
+  96.96 808857 999
+  111.0196 37901 46
+  111.0562 21694.3 26
+  113.0357 157645.2 194
+  113.0719 71762.8 88
+  114.0196 51945.4 64
+  119.0501 263731.6 325
+  121.0407 22614.8 27
+  125.0357 49618.6 61
+  130.0873 122971.3 151
+  130.0988 60465.7 74
+  144.0774 81582.2 100
+  170.0934 31204.1 38
+  201.135 41336.2 51
+//
diff --git a/Eawag/MSBNK-EAWAG-EC061601.txt b/Eawag/MSBNK-EAWAG-EC061601.txt
new file mode 100644
index 0000000000..307cf09e17
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC061601.txt
@@ -0,0 +1,49 @@
+ACCESSION: MSBNK-EAWAG-EC061601
+RECORD_TITLE: Cyanopeptolin CP962; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md16070220
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 616
+CH$NAME: Cyanopeptolin CP962
+CH$NAME: 3-butyramido-4-((2,5-dibenzyl-15-(3-guanidinopropyl)-21-hydroxy-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C47H66N10O12
+CH$EXACT_MASS: 962.4861676
+CH$SMILES: CCCC(NC(C(NC(C(NC(CCCNC(N)=N)C(NC1C(N(C(C(N(C(C(NC2C(C)C)=O)CC3=CC=CC=C3)C)=O)CC4=CC=CC=C4)C(O)CC1)=O)=O)=O)C(OC2=O)C)=O)CC(O)=O)=O
+CH$IUPAC: InChI=1S/C47H66N10O12/c1-6-14-35(58)51-32(25-37(60)61)41(63)55-39-27(4)69-46(68)38(26(2)3)54-42(64)33(23-28-15-9-7-10-16-28)56(5)45(67)34(24-29-17-11-8-12-18-29)57-36(59)21-20-31(44(57)66)53-40(62)30(52-43(39)65)19-13-22-50-47(48)49/h7-12,15-18,26-27,30-34,36,38-39,59H,6,13-14,19-25H2,1-5H3,(H,51,58)(H,52,65)(H,53,62)(H,54,64)(H,55,63)(H,60,61)(H4,48,49,50)
+CH$LINK: PUBCHEM CID:139590674
+CH$LINK: INCHIKEY GKSSZFHZBNEQFN-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 68003705
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1004
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.038 min
+MS$FOCUSED_ION: BASE_PEAK 963.4927
+MS$FOCUSED_ION: PRECURSOR_M/Z 963.4934
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-03di-0000000009-41fd26aca54c0cda2e52
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  107.0559 CH7N4O2+ 1 107.0564 -3.81
+  778.4255 C41H58N6O9+ 8 778.426 -0.61
+  963.4937 C47H67N10O12+ 1 963.4934 0.29
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  107.0559 2293876.2 48
+  778.4255 1229050.9 25
+  963.4937 47618664 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC061602.txt b/Eawag/MSBNK-EAWAG-EC061602.txt
new file mode 100644
index 0000000000..983076c5f1
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC061602.txt
@@ -0,0 +1,51 @@
+ACCESSION: MSBNK-EAWAG-EC061602
+RECORD_TITLE: Cyanopeptolin CP962; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md16070220
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 616
+CH$NAME: Cyanopeptolin CP962
+CH$NAME: 3-butyramido-4-((2,5-dibenzyl-15-(3-guanidinopropyl)-21-hydroxy-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C47H66N10O12
+CH$EXACT_MASS: 962.4861676
+CH$SMILES: CCCC(NC(C(NC(C(NC(CCCNC(N)=N)C(NC1C(N(C(C(N(C(C(NC2C(C)C)=O)CC3=CC=CC=C3)C)=O)CC4=CC=CC=C4)C(O)CC1)=O)=O)=O)C(OC2=O)C)=O)CC(O)=O)=O
+CH$IUPAC: InChI=1S/C47H66N10O12/c1-6-14-35(58)51-32(25-37(60)61)41(63)55-39-27(4)69-46(68)38(26(2)3)54-42(64)33(23-28-15-9-7-10-16-28)56(5)45(67)34(24-29-17-11-8-12-18-29)57-36(59)21-20-31(44(57)66)53-40(62)30(52-43(39)65)19-13-22-50-47(48)49/h7-12,15-18,26-27,30-34,36,38-39,59H,6,13-14,19-25H2,1-5H3,(H,51,58)(H,52,65)(H,53,62)(H,54,64)(H,55,63)(H,60,61)(H4,48,49,50)
+CH$LINK: PUBCHEM CID:139590674
+CH$LINK: INCHIKEY GKSSZFHZBNEQFN-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 68003705
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1004
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.038 min
+MS$FOCUSED_ION: BASE_PEAK 963.4927
+MS$FOCUSED_ION: PRECURSOR_M/Z 963.4934
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-03di-0000000109-0dc844d8c13fd23420c8
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  107.0559 CH7N4O2+ 1 107.0564 -3.95
+  778.425 C39H56N9O8+ 8 778.4246 0.48
+  945.4827 C47H65N10O11+ 1 945.4829 -0.21
+  963.494 C47H67N10O12+ 1 963.4934 0.55
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  107.0559 1035654 46
+  778.425 3465513.5 156
+  945.4827 3806786.8 171
+  963.494 22162068 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC061603.txt b/Eawag/MSBNK-EAWAG-EC061603.txt
new file mode 100644
index 0000000000..4059f13bb7
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC061603.txt
@@ -0,0 +1,57 @@
+ACCESSION: MSBNK-EAWAG-EC061603
+RECORD_TITLE: Cyanopeptolin CP962; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md16070220
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 616
+CH$NAME: Cyanopeptolin CP962
+CH$NAME: 3-butyramido-4-((2,5-dibenzyl-15-(3-guanidinopropyl)-21-hydroxy-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C47H66N10O12
+CH$EXACT_MASS: 962.4861676
+CH$SMILES: CCCC(NC(C(NC(C(NC(CCCNC(N)=N)C(NC1C(N(C(C(N(C(C(NC2C(C)C)=O)CC3=CC=CC=C3)C)=O)CC4=CC=CC=C4)C(O)CC1)=O)=O)=O)C(OC2=O)C)=O)CC(O)=O)=O
+CH$IUPAC: InChI=1S/C47H66N10O12/c1-6-14-35(58)51-32(25-37(60)61)41(63)55-39-27(4)69-46(68)38(26(2)3)54-42(64)33(23-28-15-9-7-10-16-28)56(5)45(67)34(24-29-17-11-8-12-18-29)57-36(59)21-20-31(44(57)66)53-40(62)30(52-43(39)65)19-13-22-50-47(48)49/h7-12,15-18,26-27,30-34,36,38-39,59H,6,13-14,19-25H2,1-5H3,(H,51,58)(H,52,65)(H,53,62)(H,54,64)(H,55,63)(H,60,61)(H4,48,49,50)
+CH$LINK: PUBCHEM CID:139590674
+CH$LINK: INCHIKEY GKSSZFHZBNEQFN-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 68003705
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1004
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.038 min
+MS$FOCUSED_ION: BASE_PEAK 963.4927
+MS$FOCUSED_ION: PRECURSOR_M/Z 963.4934
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-03fs-0000100309-6c8f7c46d4832164e64d
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  107.0561 CH7N4O2+ 1 107.0564 -2.67
+  134.0963 C9H12N+ 1 134.0964 -1.28
+  243.1118 C14H15N2O2+ 2 243.1128 -4.27
+  404.197 C24H26N3O3+ 5 404.1969 0.31
+  778.4242 C39H56N9O8+ 6 778.4246 -0.53
+  945.4844 C47H65N10O11+ 1 945.4829 1.66
+  963.4936 C47H67N10O12+ 1 963.4934 0.17
+PK$NUM_PEAK: 7
+PK$PEAK: m/z int. rel.int.
+  107.0561 464297.3 51
+  134.0963 461170.8 51
+  243.1118 228459.6 25
+  404.197 1833782 202
+  778.4242 5893414 651
+  945.4844 6002504 663
+  963.4936 9032266 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC061604.txt b/Eawag/MSBNK-EAWAG-EC061604.txt
new file mode 100644
index 0000000000..3b31e9e7bb
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC061604.txt
@@ -0,0 +1,73 @@
+ACCESSION: MSBNK-EAWAG-EC061604
+RECORD_TITLE: Cyanopeptolin CP962; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md16070220
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 616
+CH$NAME: Cyanopeptolin CP962
+CH$NAME: 3-butyramido-4-((2,5-dibenzyl-15-(3-guanidinopropyl)-21-hydroxy-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C47H66N10O12
+CH$EXACT_MASS: 962.4861676
+CH$SMILES: CCCC(NC(C(NC(C(NC(CCCNC(N)=N)C(NC1C(N(C(C(N(C(C(NC2C(C)C)=O)CC3=CC=CC=C3)C)=O)CC4=CC=CC=C4)C(O)CC1)=O)=O)=O)C(OC2=O)C)=O)CC(O)=O)=O
+CH$IUPAC: InChI=1S/C47H66N10O12/c1-6-14-35(58)51-32(25-37(60)61)41(63)55-39-27(4)69-46(68)38(26(2)3)54-42(64)33(23-28-15-9-7-10-16-28)56(5)45(67)34(24-29-17-11-8-12-18-29)57-36(59)21-20-31(44(57)66)53-40(62)30(52-43(39)65)19-13-22-50-47(48)49/h7-12,15-18,26-27,30-34,36,38-39,59H,6,13-14,19-25H2,1-5H3,(H,51,58)(H,52,65)(H,53,62)(H,54,64)(H,55,63)(H,60,61)(H4,48,49,50)
+CH$LINK: PUBCHEM CID:139590674
+CH$LINK: INCHIKEY GKSSZFHZBNEQFN-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 68003705
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1004
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.038 min
+MS$FOCUSED_ION: BASE_PEAK 963.4927
+MS$FOCUSED_ION: PRECURSOR_M/Z 963.4934
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0ik9-0330400901-723af9c515b61f0e3169
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  70.0651 C4H8N+ 1 70.0651 0.14
+  112.0871 C5H10N3+ 1 112.0869 1.65
+  134.0964 C9H12N+ 1 134.0964 0.08
+  187.1232 C12H15N2+ 1 187.123 1.36
+  215.1178 C13H15N2O+ 2 215.1179 -0.47
+  223.119 C10H15N4O2+ 1 223.119 0.26
+  240.1458 C10H18N5O2+ 2 240.1455 1.23
+  243.1129 C14H15N2O2+ 2 243.1128 0.25
+  279.1704 C15H23N2O3+ 2 279.1703 0.39
+  309.1621 C7H25N4O9+ 3 309.1616 1.65
+  397.2196 C17H29N6O5+ 6 397.2194 0.45
+  404.1968 C24H26N3O3+ 5 404.1969 -0.06
+  760.4152 C41H56N6O8+ 8 760.4154 -0.22
+  778.4254 C41H58N6O9+ 8 778.426 -0.77
+  963.4935 C47H67N10O12+ 1 963.4934 0.04
+PK$NUM_PEAK: 15
+PK$PEAK: m/z int. rel.int.
+  70.0651 431837.6 64
+  112.0871 451525.7 67
+  134.0964 3106574 463
+  187.1232 249739.2 37
+  215.1178 749189 111
+  223.119 764449.9 113
+  240.1458 367790.2 54
+  243.1129 1862807.2 277
+  279.1704 379132.8 56
+  309.1621 448443 66
+  397.2196 183278.5 27
+  404.1968 4718494 703
+  760.4152 6701661 999
+  778.4254 3639461.5 542
+  963.4935 2037056.1 303
+//
diff --git a/Eawag/MSBNK-EAWAG-EC061605.txt b/Eawag/MSBNK-EAWAG-EC061605.txt
new file mode 100644
index 0000000000..43963511a3
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC061605.txt
@@ -0,0 +1,119 @@
+ACCESSION: MSBNK-EAWAG-EC061605
+RECORD_TITLE: Cyanopeptolin CP962; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md16070220
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 616
+CH$NAME: Cyanopeptolin CP962
+CH$NAME: 3-butyramido-4-((2,5-dibenzyl-15-(3-guanidinopropyl)-21-hydroxy-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C47H66N10O12
+CH$EXACT_MASS: 962.4861676
+CH$SMILES: CCCC(NC(C(NC(C(NC(CCCNC(N)=N)C(NC1C(N(C(C(N(C(C(NC2C(C)C)=O)CC3=CC=CC=C3)C)=O)CC4=CC=CC=C4)C(O)CC1)=O)=O)=O)C(OC2=O)C)=O)CC(O)=O)=O
+CH$IUPAC: InChI=1S/C47H66N10O12/c1-6-14-35(58)51-32(25-37(60)61)41(63)55-39-27(4)69-46(68)38(26(2)3)54-42(64)33(23-28-15-9-7-10-16-28)56(5)45(67)34(24-29-17-11-8-12-18-29)57-36(59)21-20-31(44(57)66)53-40(62)30(52-43(39)65)19-13-22-50-47(48)49/h7-12,15-18,26-27,30-34,36,38-39,59H,6,13-14,19-25H2,1-5H3,(H,51,58)(H,52,65)(H,53,62)(H,54,64)(H,55,63)(H,60,61)(H4,48,49,50)
+CH$LINK: PUBCHEM CID:139590674
+CH$LINK: INCHIKEY GKSSZFHZBNEQFN-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 68003705
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1004
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.038 min
+MS$FOCUSED_ION: BASE_PEAK 963.4927
+MS$FOCUSED_ION: PRECURSOR_M/Z 963.4934
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-008c-2960000000-5f71714f9d7bbfa8b180
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  68.0496 C4H6N+ 1 68.0495 2.12
+  70.0651 C4H8N+ 1 70.0651 0.03
+  72.081 C4H10N+ 1 72.0808 2.5
+  74.06 C3H8NO+ 1 74.06 0.02
+  88.0394 C3H6NO2+ 1 88.0393 0.61
+  112.087 C5H10N3+ 1 112.0869 0.29
+  113.0709 C5H9N2O+ 1 113.0709 -0.53
+  115.0865 C5H11N2O+ 1 115.0866 -0.44
+  120.0807 C8H10N+ 1 120.0808 -0.36
+  134.0964 C9H12N+ 1 134.0964 -0.49
+  138.0664 C6H8N3O+ 1 138.0662 1.42
+  146.0966 C10H12N+ 1 146.0964 0.92
+  156.0763 C6H10N3O2+ 1 156.0768 -3.11
+  157.1086 C6H13N4O+ 1 157.1084 1.46
+  158.0962 C11H12N+ 1 158.0964 -1.64
+  162.0904 C8H10N4+ 1 162.09 2.77
+  179.1298 C9H15N4+ 2 179.1291 3.51
+  181.0972 C9H13N2O2+ 1 181.0972 0.1
+  186.076 C8H12NO4+ 1 186.0761 -0.59
+  187.123 C12H15N2+ 1 187.123 -0.11
+  190.0859 C11H12NO2+ 1 190.0863 -2.01
+  195.124 C9H15N4O+ 1 195.124 -0.1
+  199.0716 C8H11N2O4+ 1 199.0713 1.19
+  208.1082 C10H14N3O2+ 1 208.1081 0.88
+  215.1179 C13H15N2O+ 2 215.1179 -0.04
+  223.1192 C10H15N4O2+ 1 223.119 0.94
+  226.0861 C14H12NO2+ 2 226.0863 -0.9
+  233.1651 C14H21N2O+ 3 233.1648 0.94
+  240.1462 C10H18N5O2+ 2 240.1455 2.75
+  241.1294 C10H17N4O3+ 1 241.1295 -0.39
+  243.1129 C14H15N2O2+ 2 243.1128 0.37
+  257.1726 C10H21N6O2+ 2 257.1721 2.07
+  269.1127 C11H11N9+ 3 269.1132 -1.86
+  279.1698 C15H23N2O3+ 3 279.1703 -1.79
+  292.1343 C5H20N6O8+ 4 292.1337 1.89
+  309.1614 C7H25N4O9+ 2 309.1616 -0.72
+  331.1805 C22H23N2O+ 6 331.1805 0.18
+  404.197 C24H26N3O3+ 5 404.1969 0.31
+PK$NUM_PEAK: 38
+PK$PEAK: m/z int. rel.int.
+  68.0496 305874.5 20
+  70.0651 6877445 458
+  72.081 883450.1 58
+  74.06 479673 32
+  88.0394 512697.2 34
+  112.087 3212999.8 214
+  113.0709 2118915 141
+  115.0865 1041813.1 69
+  120.0807 3715325.5 247
+  134.0964 14971510 999
+  138.0664 1401553.2 93
+  146.0966 436112.4 29
+  156.0763 232265 15
+  157.1086 564276.7 37
+  158.0962 793869.9 52
+  162.0904 1363451.8 90
+  179.1298 409876.1 27
+  181.0972 382554.4 25
+  186.076 1116817.1 74
+  187.123 1900203.2 126
+  190.0859 616147.7 41
+  195.124 346442.8 23
+  199.0716 686363.8 45
+  208.1082 237798.1 15
+  215.1179 6147096.5 410
+  223.1192 4175097.2 278
+  226.0861 321179.5 21
+  233.1651 662274.1 44
+  240.1462 1258991.9 84
+  241.1294 1932642.5 128
+  243.1129 4775981 318
+  257.1726 524449.6 34
+  269.1127 1153937.8 76
+  279.1698 1776817.5 118
+  292.1343 2844085.5 189
+  309.1614 540246.6 36
+  331.1805 1479875.1 98
+  404.197 2096802.4 139
+//
diff --git a/Eawag/MSBNK-EAWAG-EC061606.txt b/Eawag/MSBNK-EAWAG-EC061606.txt
new file mode 100644
index 0000000000..6d472fe441
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC061606.txt
@@ -0,0 +1,153 @@
+ACCESSION: MSBNK-EAWAG-EC061606
+RECORD_TITLE: Cyanopeptolin CP962; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md16070220
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 616
+CH$NAME: Cyanopeptolin CP962
+CH$NAME: 3-butyramido-4-((2,5-dibenzyl-15-(3-guanidinopropyl)-21-hydroxy-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C47H66N10O12
+CH$EXACT_MASS: 962.4861676
+CH$SMILES: CCCC(NC(C(NC(C(NC(CCCNC(N)=N)C(NC1C(N(C(C(N(C(C(NC2C(C)C)=O)CC3=CC=CC=C3)C)=O)CC4=CC=CC=C4)C(O)CC1)=O)=O)=O)C(OC2=O)C)=O)CC(O)=O)=O
+CH$IUPAC: InChI=1S/C47H66N10O12/c1-6-14-35(58)51-32(25-37(60)61)41(63)55-39-27(4)69-46(68)38(26(2)3)54-42(64)33(23-28-15-9-7-10-16-28)56(5)45(67)34(24-29-17-11-8-12-18-29)57-36(59)21-20-31(44(57)66)53-40(62)30(52-43(39)65)19-13-22-50-47(48)49/h7-12,15-18,26-27,30-34,36,38-39,59H,6,13-14,19-25H2,1-5H3,(H,51,58)(H,52,65)(H,53,62)(H,54,64)(H,55,63)(H,60,61)(H4,48,49,50)
+CH$LINK: PUBCHEM CID:139590674
+CH$LINK: INCHIKEY GKSSZFHZBNEQFN-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 68003705
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1004
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.038 min
+MS$FOCUSED_ION: BASE_PEAK 963.4927
+MS$FOCUSED_ION: PRECURSOR_M/Z 963.4934
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-00e9-3920000000-20cfb0816395e2cb6e6a
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  56.0495 C3H6N+ 1 56.0495 0.48
+  60.0556 CH6N3+ 1 60.0556 0.25
+  68.0495 C4H6N+ 1 68.0495 -0.24
+  70.0651 C4H8N+ 1 70.0651 -0.3
+  71.049 C4H7O+ 1 71.0491 -1.97
+  72.0808 C4H10N+ 1 72.0808 -0.35
+  74.06 C3H8NO+ 1 74.06 -0.08
+  84.0445 C4H6NO+ 1 84.0444 1.43
+  85.0761 C4H9N2+ 1 85.076 0.34
+  86.06 C4H8NO+ 1 86.06 -0.85
+  88.0394 C3H6NO2+ 1 88.0393 0.7
+  91.0542 C7H7+ 1 91.0542 -0.31
+  95.0603 C5H7N2+ 1 95.0604 -1.26
+  97.0761 C5H9N2+ 1 97.076 0.65
+  101.071 C4H9N2O+ 1 101.0709 0.49
+  112.0869 C5H10N3+ 1 112.0869 -0.46
+  113.0709 C5H9N2O+ 1 113.0709 -0.13
+  114.0547 C5H8NO2+ 1 114.055 -2.01
+  115.0865 C5H11N2O+ 1 115.0866 -0.91
+  120.0807 C8H10N+ 1 120.0808 -0.68
+  134.0963 C9H12N+ 1 134.0964 -0.94
+  135.0998 C4H13N3O2+ 1 135.1002 -2.81
+  138.0661 C6H8N3O+ 1 138.0662 -0.57
+  138.0911 C8H12NO+ 1 138.0913 -1.94
+  141.0659 C6H9N2O2+ 1 141.0659 0.21
+  141.102 C7H13N2O+ 1 141.1022 -1.69
+  146.0963 C10H12N+ 1 146.0964 -0.65
+  153.0657 C7H9N2O2+ 1 153.0659 -0.97
+  153.1022 C8H13N2O+ 1 153.1022 -0.32
+  157.1083 C6H13N4O+ 1 157.1084 -0.48
+  158.0811 C7H12NO3+ 1 158.0812 -0.69
+  158.0962 C11H12N+ 1 158.0964 -1.16
+  162.0902 C8H10N4+ 1 162.09 1.35
+  170.0963 C12H12N+ 1 170.0964 -0.62
+  178.0973 C9H12N3O+ 1 178.0975 -0.82
+  179.1289 C9H15N4+ 1 179.1291 -1.26
+  180.113 C9H14N3O+ 1 180.1131 -0.96
+  186.0757 C8H12NO4+ 1 186.0761 -1.99
+  187.1227 C12H15N2+ 1 187.123 -1.66
+  195.1247 C9H15N4O+ 2 195.124 3.26
+  197.1038 C10H15NO3+ 2 197.1046 -4.53
+  198.1209 C5H12N9+ 2 198.121 -0.66
+  199.0713 C8H11N2O4+ 1 199.0713 -0.26
+  206.0922 C10H12N3O2+ 1 206.0924 -0.76
+  208.108 C10H14N3O2+ 1 208.1081 -0.44
+  215.1178 C13H15N2O+ 2 215.1179 -0.32
+  216.0983 C8H14N3O4+ 3 216.0979 2.02
+  223.1198 C10H15N4O2+ 2 223.119 3.75
+  226.0864 C14H12NO2+ 2 226.0863 0.85
+  233.1647 C14H21N2O+ 3 233.1648 -0.57
+  239.1177 C15H15N2O+ 5 239.1179 -0.84
+  241.1293 C10H17N4O3+ 3 241.1295 -1.03
+  243.1135 C14H15N2O2+ 3 243.1128 2.88
+  292.1337 C5H20N6O8+ 6 292.1337 -0.2
+  338.1465 H22N10O11+ 5 338.1464 0.26
+PK$NUM_PEAK: 55
+PK$PEAK: m/z int. rel.int.
+  56.0495 774812 35
+  60.0556 250189.1 11
+  68.0495 2400300.8 109
+  70.0651 15932867 728
+  71.049 494593 22
+  72.0808 1882105.8 86
+  74.06 1649389.1 75
+  84.0445 855875.6 39
+  85.0761 439455.2 20
+  86.06 231420.2 10
+  88.0394 2672044.5 122
+  91.0542 803032.9 36
+  95.0603 941195.8 43
+  97.0761 241367.8 11
+  101.071 571266.5 26
+  112.0869 4829422 220
+  113.0709 3827558 174
+  114.0547 371390.9 16
+  115.0865 2120851.5 96
+  120.0807 9374382 428
+  134.0963 21860258 999
+  135.0998 288290.1 13
+  138.0661 2220395 101
+  138.0911 277280.8 12
+  141.0659 355455.1 16
+  141.102 536534.6 24
+  146.0963 1378206.4 62
+  153.0657 1148692.5 52
+  153.1022 518648.7 23
+  157.1083 756396.7 34
+  158.0811 421356.8 19
+  158.0962 2272024 103
+  162.0902 1861555.4 85
+  170.0963 3173029 145
+  178.0973 689993.9 31
+  179.1289 440467.9 20
+  180.113 308333.1 14
+  186.0757 921527.8 42
+  187.1227 2176616 99
+  195.1247 805062.4 36
+  197.1038 1494496.2 68
+  198.1209 671345.6 30
+  199.0713 1723037.1 78
+  206.0922 372320.4 17
+  208.108 572941.6 26
+  215.1178 5394091.5 246
+  216.0983 475191.7 21
+  223.1198 2899870.2 132
+  226.0864 483575 22
+  233.1647 338591.1 15
+  239.1177 392171.5 17
+  241.1293 1208657.5 55
+  243.1135 929461.2 42
+  292.1337 3712080.5 169
+  338.1465 1322665.6 60
+//
diff --git a/Eawag/MSBNK-EAWAG-EC061607.txt b/Eawag/MSBNK-EAWAG-EC061607.txt
new file mode 100644
index 0000000000..8118eb82d5
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC061607.txt
@@ -0,0 +1,179 @@
+ACCESSION: MSBNK-EAWAG-EC061607
+RECORD_TITLE: Cyanopeptolin CP962; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md16070220
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 616
+CH$NAME: Cyanopeptolin CP962
+CH$NAME: 3-butyramido-4-((2,5-dibenzyl-15-(3-guanidinopropyl)-21-hydroxy-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C47H66N10O12
+CH$EXACT_MASS: 962.4861676
+CH$SMILES: CCCC(NC(C(NC(C(NC(CCCNC(N)=N)C(NC1C(N(C(C(N(C(C(NC2C(C)C)=O)CC3=CC=CC=C3)C)=O)CC4=CC=CC=C4)C(O)CC1)=O)=O)=O)C(OC2=O)C)=O)CC(O)=O)=O
+CH$IUPAC: InChI=1S/C47H66N10O12/c1-6-14-35(58)51-32(25-37(60)61)41(63)55-39-27(4)69-46(68)38(26(2)3)54-42(64)33(23-28-15-9-7-10-16-28)56(5)45(67)34(24-29-17-11-8-12-18-29)57-36(59)21-20-31(44(57)66)53-40(62)30(52-43(39)65)19-13-22-50-47(48)49/h7-12,15-18,26-27,30-34,36,38-39,59H,6,13-14,19-25H2,1-5H3,(H,51,58)(H,52,65)(H,53,62)(H,54,64)(H,55,63)(H,60,61)(H4,48,49,50)
+CH$LINK: PUBCHEM CID:139590674
+CH$LINK: INCHIKEY GKSSZFHZBNEQFN-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 68003705
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1004
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.038 min
+MS$FOCUSED_ION: BASE_PEAK 963.4927
+MS$FOCUSED_ION: PRECURSOR_M/Z 963.4934
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-00e9-5900000000-a9e0cf8f381a52667886
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  56.0495 C3H6N+ 1 56.0495 0.27
+  60.0557 CH6N3+ 1 60.0556 0.7
+  68.0495 C4H6N+ 1 68.0495 -0.35
+  69.0334 C4H5O+ 1 69.0335 -1.07
+  70.0651 C4H8N+ 1 70.0651 -0.08
+  71.0491 C4H7O+ 1 71.0491 -1.21
+  72.0808 C4H10N+ 1 72.0808 0.39
+  74.06 C3H8NO+ 1 74.06 0.02
+  80.0493 C5H6N+ 1 80.0495 -2.1
+  84.0444 C4H6NO+ 1 84.0444 -0.03
+  85.0761 C4H9N2+ 1 85.076 1.15
+  86.06 C4H8NO+ 1 86.06 -0.85
+  88.0393 C3H6NO2+ 1 88.0393 -0.34
+  91.0543 C7H7+ 1 91.0542 0.53
+  95.0603 C5H7N2+ 1 95.0604 -0.94
+  96.0442 C5H6NO+ 1 96.0444 -2.3
+  97.0761 C5H9N2+ 1 97.076 1.12
+  98.0598 C5H8NO+ 1 98.06 -2.09
+  101.0709 C4H9N2O+ 1 101.0709 -0.04
+  105.0335 C7H5O+ 1 105.0335 0.21
+  105.07 C8H9+ 1 105.0699 0.71
+  110.0604 C6H8NO+ 1 110.06 3.42
+  111.0553 C5H7N2O+ 1 111.0553 0.4
+  111.0916 C6H11N2+ 1 111.0917 -1.12
+  112.0869 C5H10N3+ 1 112.0869 -0.33
+  113.071 C5H9N2O+ 1 113.0709 0.28
+  114.055 C5H8NO2+ 1 114.055 0.2
+  114.1025 C5H12N3+ 1 114.1026 -0.7
+  115.0866 C5H11N2O+ 1 115.0866 -0.05
+  120.0807 C8H10N+ 1 120.0808 -0.36
+  125.0709 C6H9N2O+ 1 125.0709 -0.64
+  131.049 C9H7O+ 1 131.0491 -1.2
+  132.0808 C9H10N+ 1 132.0808 0.02
+  134.0963 C9H12N+ 1 134.0964 -0.83
+  136.0392 C7H6NO2+ 1 136.0393 -0.73
+  137.0709 C7H9N2O+ 1 137.0709 -0.35
+  137.1072 C8H13N2+ 1 137.1073 -0.97
+  138.0545 C7H8NO2+ 1 138.055 -3.31
+  138.0662 C6H8N3O+ 1 138.0662 0.31
+  138.091 C8H12NO+ 1 138.0913 -2.82
+  140.0818 C6H10N3O+ 1 140.0818 -0.15
+  141.0661 C6H9N2O2+ 1 141.0659 1.62
+  141.1018 C7H13N2O+ 1 141.1022 -2.98
+  146.0963 C10H12N+ 1 146.0964 -0.96
+  149.0709 C8H9N2O+ 1 149.0709 -0.25
+  150.1026 C8H12N3+ 1 150.1026 -0.15
+  153.0656 C7H9N2O2+ 1 153.0659 -1.96
+  157.1084 C6H13N4O+ 1 157.1084 -0.09
+  158.081 C7H12NO3+ 1 158.0812 -1.17
+  158.0961 C11H12N+ 1 158.0964 -2.12
+  160.0755 C10H10NO+ 1 160.0757 -1.24
+  165.102 C9H13N2O+ 1 165.1022 -1.47
+  166.0971 C8H12N3O+ 1 166.0975 -2.16
+  168.0809 C12H10N+ 1 168.0808 0.79
+  170.0963 C12H12N+ 1 170.0964 -0.71
+  171.076 C7H11N2O3+ 1 171.0764 -2.66
+  179.1292 C9H15N4+ 1 179.1291 0.19
+  182.0925 C8H12N3O2+ 1 182.0924 0.8
+  186.0753 C8H12NO4+ 2 186.0761 -4.2
+  187.1225 C12H15N2+ 1 187.123 -2.47
+  195.124 C9H15N4O+ 1 195.124 0.05
+  197.1046 C10H15NO3+ 1 197.1046 -0.19
+  198.0906 C13H12NO+ 2 198.0913 -3.74
+  199.071 C8H11N2O4+ 2 199.0713 -1.8
+  206.0927 C10H12N3O2+ 1 206.0924 1.38
+  208.1081 C10H14N3O2+ 1 208.1081 0.44
+  215.1178 C13H15N2O+ 2 215.1179 -0.25
+  338.1466 H22N10O11+ 5 338.1464 0.71
+PK$NUM_PEAK: 68
+PK$PEAK: m/z int. rel.int.
+  56.0495 1515431.1 69
+  60.0557 304425.3 13
+  68.0495 4453878.5 203
+  69.0334 489256.7 22
+  70.0651 21846348 999
+  71.0491 685471 31
+  72.0808 2122941.5 97
+  74.06 2097596.5 95
+  80.0493 303156.3 13
+  84.0444 1783969.1 81
+  85.0761 747626.2 34
+  86.06 412578.4 18
+  88.0393 5201799 237
+  91.0543 2556070.5 116
+  95.0603 1783488.2 81
+  96.0442 223357.9 10
+  97.0761 509061.5 23
+  98.0598 350602.1 16
+  101.0709 714212.8 32
+  105.0335 384234.7 17
+  105.07 990949.9 45
+  110.0604 358551.4 16
+  111.0553 585641.2 26
+  111.0916 281414.2 12
+  112.0869 4661927.5 213
+  113.071 3087192.5 141
+  114.055 746021.9 34
+  114.1025 431478.8 19
+  115.0866 2362322.5 108
+  120.0807 10650678 487
+  125.0709 775156.1 35
+  131.049 247376.9 11
+  132.0808 474203.1 21
+  134.0963 21784964 996
+  136.0392 519571 23
+  137.0709 320737.9 14
+  137.1072 402979.4 18
+  138.0545 309737.5 14
+  138.0662 1756702.9 80
+  138.091 269426.8 12
+  140.0818 654846.6 29
+  141.0661 602280 27
+  141.1018 502163.5 22
+  146.0963 1689005.6 77
+  149.0709 2000792.5 91
+  150.1026 499774.9 22
+  153.0656 1650447.4 75
+  157.1084 364369.9 16
+  158.081 251841.4 11
+  158.0961 2332285.5 106
+  160.0755 554909.8 25
+  165.102 323956.7 14
+  166.0971 495411.6 22
+  168.0809 340095.6 15
+  170.0963 4603402.5 210
+  171.076 292019.1 13
+  179.1292 271157.1 12
+  182.0925 411286.3 18
+  186.0753 377299 17
+  187.1225 1011717.9 46
+  195.124 494314.3 22
+  197.1046 847413.1 38
+  198.0906 878569.6 40
+  199.071 1446239.1 66
+  206.0927 276124.3 12
+  208.1081 342467.2 15
+  215.1178 1892063.6 86
+  338.1466 382619.1 17
+//
diff --git a/Eawag/MSBNK-EAWAG-EC061608.txt b/Eawag/MSBNK-EAWAG-EC061608.txt
new file mode 100644
index 0000000000..d8ad2e1a57
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC061608.txt
@@ -0,0 +1,159 @@
+ACCESSION: MSBNK-EAWAG-EC061608
+RECORD_TITLE: Cyanopeptolin CP962; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md16070220
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 616
+CH$NAME: Cyanopeptolin CP962
+CH$NAME: 3-butyramido-4-((2,5-dibenzyl-15-(3-guanidinopropyl)-21-hydroxy-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C47H66N10O12
+CH$EXACT_MASS: 962.4861676
+CH$SMILES: CCCC(NC(C(NC(C(NC(CCCNC(N)=N)C(NC1C(N(C(C(N(C(C(NC2C(C)C)=O)CC3=CC=CC=C3)C)=O)CC4=CC=CC=C4)C(O)CC1)=O)=O)=O)C(OC2=O)C)=O)CC(O)=O)=O
+CH$IUPAC: InChI=1S/C47H66N10O12/c1-6-14-35(58)51-32(25-37(60)61)41(63)55-39-27(4)69-46(68)38(26(2)3)54-42(64)33(23-28-15-9-7-10-16-28)56(5)45(67)34(24-29-17-11-8-12-18-29)57-36(59)21-20-31(44(57)66)53-40(62)30(52-43(39)65)19-13-22-50-47(48)49/h7-12,15-18,26-27,30-34,36,38-39,59H,6,13-14,19-25H2,1-5H3,(H,51,58)(H,52,65)(H,53,62)(H,54,64)(H,55,63)(H,60,61)(H4,48,49,50)
+CH$LINK: PUBCHEM CID:139590674
+CH$LINK: INCHIKEY GKSSZFHZBNEQFN-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 68003705
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1004
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.038 min
+MS$FOCUSED_ION: BASE_PEAK 963.4927
+MS$FOCUSED_ION: PRECURSOR_M/Z 963.4934
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-00di-8900000000-51522ef9b9021eabea12
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  55.0542 C4H7+ 1 55.0542 -0.11
+  56.0495 C3H6N+ 1 56.0495 -0.07
+  60.0556 CH6N3+ 1 60.0556 0.32
+  68.0495 C4H6N+ 1 68.0495 -0.35
+  69.0336 C4H5O+ 1 69.0335 1.03
+  70.0651 C4H8N+ 1 70.0651 0.03
+  71.0492 C4H7O+ 1 71.0491 1.15
+  72.0808 C4H10N+ 1 72.0808 0.39
+  74.0601 C3H8NO+ 1 74.06 0.33
+  80.0493 C5H6N+ 1 80.0495 -2.67
+  82.0651 C5H8N+ 1 82.0651 -0.76
+  83.0605 C4H7N2+ 1 83.0604 1.94
+  84.0444 C4H6NO+ 1 84.0444 0.52
+  85.076 C4H9N2+ 1 85.076 -0.37
+  86.0602 C4H8NO+ 1 86.06 1.63
+  88.0393 C3H6NO2+ 1 88.0393 0.18
+  91.0542 C7H7+ 1 91.0542 -0.56
+  95.0604 C5H7N2+ 1 95.0604 -0.06
+  96.0446 C5H6NO+ 1 96.0444 1.83
+  97.0762 C5H9N2+ 1 97.076 1.99
+  98.0601 C5H8NO+ 1 98.06 0.4
+  101.071 C4H9N2O+ 1 101.0709 0.72
+  103.0543 C8H7+ 1 103.0542 0.89
+  105.0338 C7H5O+ 1 105.0335 2.97
+  105.0698 C8H9+ 1 105.0699 -0.38
+  110.0602 C6H8NO+ 1 110.06 1.76
+  111.0551 C5H7N2O+ 1 111.0553 -1.73
+  112.0869 C5H10N3+ 1 112.0869 -0.39
+  113.0709 C5H9N2O+ 1 113.0709 -0.4
+  114.0549 C5H8NO2+ 1 114.055 -0.87
+  114.1029 C5H12N3+ 1 114.1026 2.91
+  115.0864 C5H11N2O+ 1 115.0866 -1.9
+  118.0653 C8H8N+ 1 118.0651 1.13
+  119.0727 C8H9N+ 1 119.073 -2.35
+  120.0807 C8H10N+ 1 120.0808 -0.36
+  125.0709 C6H9N2O+ 1 125.0709 -0.15
+  131.0488 C9H7O+ 1 131.0491 -2.48
+  132.0807 C9H10N+ 1 132.0808 -0.44
+  134.0963 C9H12N+ 1 134.0964 -0.71
+  136.0393 C7H6NO2+ 1 136.0393 -0.4
+  137.0711 C7H9N2O+ 1 137.0709 0.87
+  138.0665 C6H8N3O+ 1 138.0662 2.08
+  138.0911 C8H12NO+ 1 138.0913 -1.61
+  140.0816 C6H10N3O+ 1 140.0818 -2.01
+  141.1026 C7H13N2O+ 1 141.1022 2.53
+  146.0963 C10H12N+ 1 146.0964 -0.75
+  149.0708 C8H9N2O+ 1 149.0709 -0.86
+  150.1022 C8H12N3+ 1 150.1026 -2.29
+  153.0662 C7H9N2O2+ 1 153.0659 2.32
+  153.102 C8H13N2O+ 1 153.1022 -1.62
+  158.0961 C11H12N+ 1 158.0964 -1.93
+  160.0753 C10H10NO+ 1 160.0757 -2.67
+  168.0811 C12H10N+ 1 168.0808 2.06
+  170.0961 C12H12N+ 1 170.0964 -1.7
+  178.0976 C9H12N3O+ 1 178.0975 0.46
+  180.1137 C9H14N3O+ 2 180.1131 3.03
+  199.0716 C8H11N2O4+ 1 199.0713 1.35
+  292.1337 C5H20N6O8+ 6 292.1337 0.11
+PK$NUM_PEAK: 58
+PK$PEAK: m/z int. rel.int.
+  55.0542 446208.3 19
+  56.0495 2209660.5 97
+  60.0556 354294.2 15
+  68.0495 4888247 216
+  69.0336 753566 33
+  70.0651 22576344 999
+  71.0492 814080.9 36
+  72.0808 1989561 88
+  74.0601 2070550.5 91
+  80.0493 372112.8 16
+  82.0651 385402.5 17
+  83.0605 296438.3 13
+  84.0444 1669796.5 73
+  85.076 884581.9 39
+  86.0602 393306.3 17
+  88.0393 5585409.5 247
+  91.0542 4566626.5 202
+  95.0604 2159033.5 95
+  96.0446 512514.3 22
+  97.0762 705680.1 31
+  98.0601 578941.7 25
+  101.071 571745 25
+  103.0543 655963.8 29
+  105.0338 468324.7 20
+  105.0698 1297557.6 57
+  110.0602 419995 18
+  111.0551 1072281.4 47
+  112.0869 3322493 147
+  113.0709 1756372.2 77
+  114.0549 739314.1 32
+  114.1029 243991.2 10
+  115.0864 1853226.5 82
+  118.0653 246301.3 10
+  119.0727 1176765.5 52
+  120.0807 7694891.5 340
+  125.0709 1320868.1 58
+  131.0488 319551.1 14
+  132.0807 362927.9 16
+  134.0963 16961834 750
+  136.0393 582600.8 25
+  137.0711 461938.5 20
+  138.0665 963115.7 42
+  138.0911 473231.4 20
+  140.0816 607614.3 26
+  141.1026 639745.6 28
+  146.0963 1096930.5 48
+  149.0708 2237907.5 99
+  150.1022 756034.7 33
+  153.0662 1215777.2 53
+  153.102 530600.8 23
+  158.0961 1763091.4 78
+  160.0753 449352.6 19
+  168.0811 735932.5 32
+  170.0961 4057681.8 179
+  178.0976 352943.9 15
+  180.1137 306780.8 13
+  199.0716 438523.7 19
+  292.1337 321513.2 14
+//
diff --git a/Eawag/MSBNK-EAWAG-EC061609.txt b/Eawag/MSBNK-EAWAG-EC061609.txt
new file mode 100644
index 0000000000..44d84e1775
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC061609.txt
@@ -0,0 +1,141 @@
+ACCESSION: MSBNK-EAWAG-EC061609
+RECORD_TITLE: Cyanopeptolin CP962; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md16070220
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 616
+CH$NAME: Cyanopeptolin CP962
+CH$NAME: 3-butyramido-4-((2,5-dibenzyl-15-(3-guanidinopropyl)-21-hydroxy-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C47H66N10O12
+CH$EXACT_MASS: 962.4861676
+CH$SMILES: CCCC(NC(C(NC(C(NC(CCCNC(N)=N)C(NC1C(N(C(C(N(C(C(NC2C(C)C)=O)CC3=CC=CC=C3)C)=O)CC4=CC=CC=C4)C(O)CC1)=O)=O)=O)C(OC2=O)C)=O)CC(O)=O)=O
+CH$IUPAC: InChI=1S/C47H66N10O12/c1-6-14-35(58)51-32(25-37(60)61)41(63)55-39-27(4)69-46(68)38(26(2)3)54-42(64)33(23-28-15-9-7-10-16-28)56(5)45(67)34(24-29-17-11-8-12-18-29)57-36(59)21-20-31(44(57)66)53-40(62)30(52-43(39)65)19-13-22-50-47(48)49/h7-12,15-18,26-27,30-34,36,38-39,59H,6,13-14,19-25H2,1-5H3,(H,51,58)(H,52,65)(H,53,62)(H,54,64)(H,55,63)(H,60,61)(H4,48,49,50)
+CH$LINK: PUBCHEM CID:139590674
+CH$LINK: INCHIKEY GKSSZFHZBNEQFN-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 68003705
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1004
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.038 min
+MS$FOCUSED_ION: BASE_PEAK 963.4927
+MS$FOCUSED_ION: PRECURSOR_M/Z 963.4934
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-00di-9700000000-0c12bdfb3d14d54c5787
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  55.0542 C4H7+ 1 55.0542 0.38
+  56.0495 C3H6N+ 1 56.0495 0.55
+  58.0652 C3H8N+ 1 58.0651 0.57
+  60.0558 CH6N3+ 1 60.0556 2.16
+  68.0495 C4H6N+ 1 68.0495 -0.35
+  69.0334 C4H5O+ 1 69.0335 -0.96
+  70.0651 C4H8N+ 1 70.0651 -0.08
+  71.0491 C4H7O+ 1 71.0491 -1.21
+  72.0808 C4H10N+ 1 72.0808 -0.04
+  74.06 C3H8NO+ 1 74.06 -1.11
+  80.0494 C5H6N+ 1 80.0495 -1.33
+  82.0652 C5H8N+ 1 82.0651 0.63
+  83.0604 C4H7N2+ 1 83.0604 0.19
+  84.0443 C4H6NO+ 1 84.0444 -0.48
+  85.0762 C4H9N2+ 1 85.076 1.78
+  86.0601 C4H8NO+ 1 86.06 0.48
+  88.0393 C3H6NO2+ 1 88.0393 -0.43
+  91.0542 C7H7+ 1 91.0542 -0.23
+  95.0604 C5H7N2+ 1 95.0604 0.42
+  96.0444 C5H6NO+ 1 96.0444 0.48
+  97.076 C5H9N2+ 1 97.076 -0.21
+  98.0601 C5H8NO+ 1 98.06 0.71
+  103.054 C8H7+ 1 103.0542 -1.85
+  105.0336 C7H5O+ 1 105.0335 1.01
+  105.0697 C8H9+ 1 105.0699 -1.47
+  110.0602 C6H8NO+ 1 110.06 1.34
+  111.0554 C5H7N2O+ 1 111.0553 0.95
+  112.0869 C5H10N3+ 1 112.0869 -0.05
+  113.0712 C5H9N2O+ 1 113.0709 2.16
+  114.055 C5H8NO2+ 1 114.055 0
+  115.0866 C5H11N2O+ 1 115.0866 0.29
+  118.0653 C8H8N+ 1 118.0651 1.19
+  119.0728 C8H9N+ 1 119.073 -1.51
+  120.0807 C8H10N+ 1 120.0808 -0.24
+  125.071 C6H9N2O+ 1 125.0709 0.46
+  130.0654 C9H8N+ 1 130.0651 2.18
+  134.0963 C9H12N+ 1 134.0964 -0.6
+  136.0397 C7H6NO2+ 1 136.0393 2.63
+  137.071 C7H9N2O+ 1 137.0709 0.54
+  138.0543 C7H8NO2+ 1 138.055 -4.53
+  138.0664 C6H8N3O+ 1 138.0662 1.75
+  138.091 C8H12NO+ 1 138.0913 -2.16
+  146.0963 C10H12N+ 1 146.0964 -0.75
+  149.0709 C8H9N2O+ 1 149.0709 -0.35
+  150.1027 C8H12N3+ 1 150.1026 0.97
+  158.0964 C11H12N+ 1 158.0964 0
+  168.0804 C12H10N+ 1 168.0808 -2.2
+  170.0961 C12H12N+ 1 170.0964 -1.79
+  198.091 C13H12NO+ 1 198.0913 -1.74
+PK$NUM_PEAK: 49
+PK$PEAK: m/z int. rel.int.
+  55.0542 296173 14
+  56.0495 1713027.9 81
+  58.0652 231240.5 10
+  60.0558 263198.3 12
+  68.0495 5089259 241
+  69.0334 802029.1 38
+  70.0651 21014920 999
+  71.0491 584171.1 27
+  72.0808 1722448.9 81
+  74.06 1632393.9 77
+  80.0494 603723.8 28
+  82.0652 621396.1 29
+  83.0604 408996.7 19
+  84.0443 1555633.2 73
+  85.0762 823825 39
+  86.0601 265523.9 12
+  88.0393 5153049 244
+  91.0542 5907282.5 280
+  95.0604 2451210.5 116
+  96.0444 655963.8 31
+  97.076 560689.6 26
+  98.0601 866570.6 41
+  103.054 955799.8 45
+  105.0336 399378.9 18
+  105.0697 1580661 75
+  110.0602 672366.8 31
+  111.0554 1164019.8 55
+  112.0869 2128212.5 101
+  113.0712 729057.2 34
+  114.055 536257.7 25
+  115.0866 1172008.1 55
+  118.0653 508505.5 24
+  119.0728 2227480.8 105
+  120.0807 6271403.5 298
+  125.071 1223067.1 58
+  130.0654 227334.9 10
+  134.0963 12360280 587
+  136.0397 607773.5 28
+  137.071 301009.3 14
+  138.0543 283734.4 13
+  138.0664 843093.9 40
+  138.091 347349.6 16
+  146.0963 495059.3 23
+  149.0709 1557984.5 74
+  150.1027 500802.9 23
+  158.0964 544865.9 25
+  168.0804 868691.5 41
+  170.0961 2610770.2 124
+  198.091 349771.9 16
+//
diff --git a/Eawag/MSBNK-EAWAG-EC061651.txt b/Eawag/MSBNK-EAWAG-EC061651.txt
new file mode 100644
index 0000000000..94a3d23e29
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC061651.txt
@@ -0,0 +1,51 @@
+ACCESSION: MSBNK-EAWAG-EC061651
+RECORD_TITLE: Cyanopeptolin CP962; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M-H]-; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md16070220
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 616
+CH$NAME: Cyanopeptolin CP962
+CH$NAME: 3-butyramido-4-((2,5-dibenzyl-15-(3-guanidinopropyl)-21-hydroxy-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C47H66N10O12
+CH$EXACT_MASS: 962.4861676
+CH$SMILES: CCCC(NC(C(NC(C(NC(CCCNC(N)=N)C(NC1C(N(C(C(N(C(C(NC2C(C)C)=O)CC3=CC=CC=C3)C)=O)CC4=CC=CC=C4)C(O)CC1)=O)=O)=O)C(OC2=O)C)=O)CC(O)=O)=O
+CH$IUPAC: InChI=1S/C47H66N10O12/c1-6-14-35(58)51-32(25-37(60)61)41(63)55-39-27(4)69-46(68)38(26(2)3)54-42(64)33(23-28-15-9-7-10-16-28)56(5)45(67)34(24-29-17-11-8-12-18-29)57-36(59)21-20-31(44(57)66)53-40(62)30(52-43(39)65)19-13-22-50-47(48)49/h7-12,15-18,26-27,30-34,36,38-39,59H,6,13-14,19-25H2,1-5H3,(H,51,58)(H,52,65)(H,53,62)(H,54,64)(H,55,63)(H,60,61)(H4,48,49,50)
+CH$LINK: PUBCHEM CID:139590674
+CH$LINK: INCHIKEY GKSSZFHZBNEQFN-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 68003705
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1002
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.025 min
+MS$FOCUSED_ION: BASE_PEAK 961.481
+MS$FOCUSED_ION: PRECURSOR_M/Z 961.4789
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-03di-0000000009-196badd5ebb6ee95001d
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  583.2648 C29H37N5O8- 9 583.2648 0.13
+  856.4 C43H54N9O10- 4 856.3999 0.11
+  943.468 C47H63N10O11- 1 943.4683 -0.37
+  961.4791 C47H65N10O12- 1 961.4789 0.18
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  583.2648 183850.6 17
+  856.4 308070.4 28
+  943.468 899409.4 83
+  961.4791 10730445 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC061652.txt b/Eawag/MSBNK-EAWAG-EC061652.txt
new file mode 100644
index 0000000000..0b2e18481c
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC061652.txt
@@ -0,0 +1,59 @@
+ACCESSION: MSBNK-EAWAG-EC061652
+RECORD_TITLE: Cyanopeptolin CP962; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M-H]-; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md16070220
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 616
+CH$NAME: Cyanopeptolin CP962
+CH$NAME: 3-butyramido-4-((2,5-dibenzyl-15-(3-guanidinopropyl)-21-hydroxy-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C47H66N10O12
+CH$EXACT_MASS: 962.4861676
+CH$SMILES: CCCC(NC(C(NC(C(NC(CCCNC(N)=N)C(NC1C(N(C(C(N(C(C(NC2C(C)C)=O)CC3=CC=CC=C3)C)=O)CC4=CC=CC=C4)C(O)CC1)=O)=O)=O)C(OC2=O)C)=O)CC(O)=O)=O
+CH$IUPAC: InChI=1S/C47H66N10O12/c1-6-14-35(58)51-32(25-37(60)61)41(63)55-39-27(4)69-46(68)38(26(2)3)54-42(64)33(23-28-15-9-7-10-16-28)56(5)45(67)34(24-29-17-11-8-12-18-29)57-36(59)21-20-31(44(57)66)53-40(62)30(52-43(39)65)19-13-22-50-47(48)49/h7-12,15-18,26-27,30-34,36,38-39,59H,6,13-14,19-25H2,1-5H3,(H,51,58)(H,52,65)(H,53,62)(H,54,64)(H,55,63)(H,60,61)(H4,48,49,50)
+CH$LINK: PUBCHEM CID:139590674
+CH$LINK: INCHIKEY GKSSZFHZBNEQFN-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 68003705
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1002
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.025 min
+MS$FOCUSED_ION: BASE_PEAK 961.481
+MS$FOCUSED_ION: PRECURSOR_M/Z 961.4789
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-03dl-0000030019-cf13c96bcf4d22ebc2ec
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  565.2527 C27H33N8O6- 7 565.2529 -0.28
+  583.2633 C27H35N8O7- 10 583.2634 -0.19
+  627.29 C45H39O3- 9 627.2905 -0.68
+  776.4104 C38H58N5O12- 8 776.4087 2.1
+  812.3816 C37H52N10O11- 4 812.3823 -0.74
+  856.4 C43H54N9O10- 4 856.3999 0.11
+  943.4688 C47H63N10O11- 1 943.4683 0.47
+  961.4792 C47H65N10O12- 1 961.4789 0.31
+PK$NUM_PEAK: 8
+PK$PEAK: m/z int. rel.int.
+  565.2527 670269.1 143
+  583.2633 2245343.5 481
+  627.29 292194.1 62
+  776.4104 338570.1 72
+  812.3816 126986.9 27
+  856.4 1083308.5 232
+  943.4688 3002995.2 643
+  961.4792 4659193 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC061653.txt b/Eawag/MSBNK-EAWAG-EC061653.txt
new file mode 100644
index 0000000000..fd7bbb838b
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC061653.txt
@@ -0,0 +1,75 @@
+ACCESSION: MSBNK-EAWAG-EC061653
+RECORD_TITLE: Cyanopeptolin CP962; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M-H]-; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md16070220
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 616
+CH$NAME: Cyanopeptolin CP962
+CH$NAME: 3-butyramido-4-((2,5-dibenzyl-15-(3-guanidinopropyl)-21-hydroxy-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C47H66N10O12
+CH$EXACT_MASS: 962.4861676
+CH$SMILES: CCCC(NC(C(NC(C(NC(CCCNC(N)=N)C(NC1C(N(C(C(N(C(C(NC2C(C)C)=O)CC3=CC=CC=C3)C)=O)CC4=CC=CC=C4)C(O)CC1)=O)=O)=O)C(OC2=O)C)=O)CC(O)=O)=O
+CH$IUPAC: InChI=1S/C47H66N10O12/c1-6-14-35(58)51-32(25-37(60)61)41(63)55-39-27(4)69-46(68)38(26(2)3)54-42(64)33(23-28-15-9-7-10-16-28)56(5)45(67)34(24-29-17-11-8-12-18-29)57-36(59)21-20-31(44(57)66)53-40(62)30(52-43(39)65)19-13-22-50-47(48)49/h7-12,15-18,26-27,30-34,36,38-39,59H,6,13-14,19-25H2,1-5H3,(H,51,58)(H,52,65)(H,53,62)(H,54,64)(H,55,63)(H,60,61)(H4,48,49,50)
+CH$LINK: PUBCHEM CID:139590674
+CH$LINK: INCHIKEY GKSSZFHZBNEQFN-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 68003705
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1002
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.025 min
+MS$FOCUSED_ION: BASE_PEAK 961.481
+MS$FOCUSED_ION: PRECURSOR_M/Z 961.4789
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-053u-0000090245-134fd5634596602f918e
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  179.0458 C8H7N2O3- 1 179.0462 -2.33
+  251.1133 C10H19O7- 4 251.1136 -1.16
+  266.1131 C10H14N6O3- 3 266.1133 -0.67
+  379.1735 C16H23N6O5- 6 379.1735 -0.11
+  484.2198 C38H28- 8 484.2196 0.24
+  519.2608 C29H35N4O5- 9 519.2613 -0.86
+  541.2418 C26H33N6O7- 9 541.2416 0.36
+  565.2525 C27H33N8O6- 7 565.2529 -0.61
+  583.2633 C27H35N8O7- 10 583.2634 -0.19
+  693.3736 C36H55NO12- 9 693.373 0.86
+  768.3836 C40H50N9O7- 7 768.3839 -0.32
+  776.4102 C38H58N5O12- 6 776.4087 1.86
+  839.3775 C47H55N2O12- 4 839.376 1.73
+  856.3998 C43H54N9O10- 4 856.3999 -0.11
+  943.4688 C47H63N10O11- 1 943.4683 0.53
+  961.4806 C47H65N10O12- 1 961.4789 1.77
+PK$NUM_PEAK: 16
+PK$PEAK: m/z int. rel.int.
+  179.0458 45984.1 13
+  251.1133 94378 27
+  266.1131 77044.9 22
+  379.1735 227100.1 65
+  484.2198 63723.5 18
+  519.2608 141729.5 40
+  541.2418 229838.4 66
+  565.2525 1088392.2 314
+  583.2633 3461344.8 999
+  693.3736 221696 63
+  768.3836 521085.4 150
+  776.4102 647573.9 186
+  839.3775 90454.9 26
+  856.3998 2534159.2 731
+  943.4688 2169892.5 626
+  961.4806 602888.8 174
+//
diff --git a/Eawag/MSBNK-EAWAG-EC061654.txt b/Eawag/MSBNK-EAWAG-EC061654.txt
new file mode 100644
index 0000000000..15a2072c6f
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC061654.txt
@@ -0,0 +1,103 @@
+ACCESSION: MSBNK-EAWAG-EC061654
+RECORD_TITLE: Cyanopeptolin CP962; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M-H]-; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md16070220
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 616
+CH$NAME: Cyanopeptolin CP962
+CH$NAME: 3-butyramido-4-((2,5-dibenzyl-15-(3-guanidinopropyl)-21-hydroxy-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C47H66N10O12
+CH$EXACT_MASS: 962.4861676
+CH$SMILES: CCCC(NC(C(NC(C(NC(CCCNC(N)=N)C(NC1C(N(C(C(N(C(C(NC2C(C)C)=O)CC3=CC=CC=C3)C)=O)CC4=CC=CC=C4)C(O)CC1)=O)=O)=O)C(OC2=O)C)=O)CC(O)=O)=O
+CH$IUPAC: InChI=1S/C47H66N10O12/c1-6-14-35(58)51-32(25-37(60)61)41(63)55-39-27(4)69-46(68)38(26(2)3)54-42(64)33(23-28-15-9-7-10-16-28)56(5)45(67)34(24-29-17-11-8-12-18-29)57-36(59)21-20-31(44(57)66)53-40(62)30(52-43(39)65)19-13-22-50-47(48)49/h7-12,15-18,26-27,30-34,36,38-39,59H,6,13-14,19-25H2,1-5H3,(H,51,58)(H,52,65)(H,53,62)(H,54,64)(H,55,63)(H,60,61)(H4,48,49,50)
+CH$LINK: PUBCHEM CID:139590674
+CH$LINK: INCHIKEY GKSSZFHZBNEQFN-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 68003705
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1002
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.025 min
+MS$FOCUSED_ION: BASE_PEAK 961.481
+MS$FOCUSED_ION: PRECURSOR_M/Z 961.4789
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0aou-0230152291-2fd8393fde965f1cef0d
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  96.0092 C4H2NO2- 1 96.0091 0.95
+  116.0716 C5H10NO2- 1 116.0717 -1.31
+  124.0516 C5H6N3O- 1 124.0516 -0.62
+  135.056 C7H7N2O- 1 135.0564 -3.13
+  140.0351 C6H6NO3- 1 140.0353 -1.35
+  160.0767 C10H10NO- 1 160.0768 -0.49
+  165.1027 C9H13N2O- 2 165.1033 -3.73
+  179.0456 C8H7N2O3- 2 179.0462 -3.35
+  195.0885 C8H11N4O2- 1 195.0887 -1.04
+  198.0988 C6H16NO6- 3 198.0983 2.32
+  221.0678 C9H9N4O3- 3 221.068 -1.13
+  238.0933 C8H16NO7- 2 238.0932 0.31
+  251.1136 C10H19O7- 2 251.1136 -0.06
+  266.1137 C10H14N6O3- 2 266.1133 1.73
+  272.14 H24N4O12- 4 272.1396 1.5
+  277.1548 C13H19N5O2- 2 277.1544 1.29
+  337.151 C15H21N4O5- 4 337.1517 -2.21
+  361.1608 C13H23N5O7- 4 361.1603 1.32
+  424.2227 C22H28N6O3- 6 424.2228 -0.22
+  484.2192 C38H28- 8 484.2196 -0.96
+  519.2613 C29H35N4O5- 7 519.2613 -0.04
+  541.2417 C26H33N6O7- 9 541.2416 0.14
+  565.2525 C27H33N8O6- 8 565.2529 -0.71
+  627.2893 C45H39O3- 11 627.2905 -1.85
+  693.3734 C36H55NO12- 8 693.373 0.59
+  768.3834 C40H50N9O7- 7 768.3839 -0.64
+  776.4095 C38H58N5O12- 6 776.4087 0.92
+  856.4001 C43H54N9O10- 4 856.3999 0.25
+  857.4001 C47H53N8O8- 3 857.3992 1.03
+  943.4689 C47H63N10O11- 1 943.4683 0.66
+PK$NUM_PEAK: 30
+PK$PEAK: m/z int. rel.int.
+  96.0092 33812.2 14
+  116.0716 46136.3 19
+  124.0516 79630.3 34
+  135.056 87775 37
+  140.0351 44707.1 19
+  160.0767 39682.3 17
+  165.1027 65588.2 28
+  179.0456 293277.8 126
+  195.0885 75223.9 32
+  198.0988 38396.9 16
+  221.0678 126903.2 54
+  238.0933 104437.3 44
+  251.1136 314717.1 135
+  266.1137 141167.8 60
+  272.14 41443.6 17
+  277.1548 166245.8 71
+  337.151 108114.9 46
+  361.1608 43963.1 18
+  424.2227 146578.7 63
+  484.2192 152212 65
+  519.2613 372646.3 160
+  541.2417 423090.6 182
+  565.2525 695178.1 299
+  627.2893 37862.2 16
+  693.3734 535131.9 230
+  768.3834 235611 101
+  776.4095 529669.6 228
+  856.4001 2319656.2 999
+  857.4001 147597.5 63
+  943.4689 317037.2 136
+//
diff --git a/Eawag/MSBNK-EAWAG-EC061655.txt b/Eawag/MSBNK-EAWAG-EC061655.txt
new file mode 100644
index 0000000000..050f5ef7ef
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC061655.txt
@@ -0,0 +1,177 @@
+ACCESSION: MSBNK-EAWAG-EC061655
+RECORD_TITLE: Cyanopeptolin CP962; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M-H]-; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md16070220
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 616
+CH$NAME: Cyanopeptolin CP962
+CH$NAME: 3-butyramido-4-((2,5-dibenzyl-15-(3-guanidinopropyl)-21-hydroxy-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C47H66N10O12
+CH$EXACT_MASS: 962.4861676
+CH$SMILES: CCCC(NC(C(NC(C(NC(CCCNC(N)=N)C(NC1C(N(C(C(N(C(C(NC2C(C)C)=O)CC3=CC=CC=C3)C)=O)CC4=CC=CC=C4)C(O)CC1)=O)=O)=O)C(OC2=O)C)=O)CC(O)=O)=O
+CH$IUPAC: InChI=1S/C47H66N10O12/c1-6-14-35(58)51-32(25-37(60)61)41(63)55-39-27(4)69-46(68)38(26(2)3)54-42(64)33(23-28-15-9-7-10-16-28)56(5)45(67)34(24-29-17-11-8-12-18-29)57-36(59)21-20-31(44(57)66)53-40(62)30(52-43(39)65)19-13-22-50-47(48)49/h7-12,15-18,26-27,30-34,36,38-39,59H,6,13-14,19-25H2,1-5H3,(H,51,58)(H,52,65)(H,53,62)(H,54,64)(H,55,63)(H,60,61)(H4,48,49,50)
+CH$LINK: PUBCHEM CID:139590674
+CH$LINK: INCHIKEY GKSSZFHZBNEQFN-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 68003705
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1002
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.025 min
+MS$FOCUSED_ION: BASE_PEAK 961.481
+MS$FOCUSED_ION: PRECURSOR_M/Z 961.4789
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-05r0-1951000000-5daad4281bb2f94ed059
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  71.0254 C2H3N2O- 1 71.0251 4.18
+  84.0093 C3H2NO2- 1 84.0091 2.16
+  85.041 C3H5N2O- 1 85.0407 2.8
+  86.0611 C4H8NO- 1 86.0611 0.09
+  91.0555 C7H7- 1 91.0553 2.22
+  96.009 C4H2NO2- 1 96.0091 -1.19
+  96.0205 C3H2N3O- 1 96.0203 1.95
+  98.0247 C4H4NO2- 1 98.0248 -0.95
+  98.0358 C3H4N3O- 1 98.036 -2.38
+  99.0201 C3H3N2O2- 1 99.02 0.51
+  99.0563 C4H7N2O- 1 99.0564 -0.65
+  109.041 C5H5N2O- 1 109.0407 2.17
+  110.0248 C5H4NO2- 1 110.0248 0.85
+  112.0404 C5H6NO2- 1 112.0404 0.32
+  113.0356 C4H5N2O2- 1 113.0357 -0.73
+  116.0716 C5H10NO2- 1 116.0717 -0.72
+  122.0614 C7H8NO- 1 122.0611 2.07
+  123.0452 C7H7O2- 1 123.0452 0.39
+  123.0563 C6H7N2O- 1 123.0564 -0.62
+  124.0404 C6H6NO2- 1 124.0404 -0.1
+  124.0517 C5H6N3O- 1 124.0516 0.92
+  125.0356 C5H5N2O2- 1 125.0357 -0.65
+  127.0511 C5H7N2O2- 1 127.0513 -1.54
+  135.0561 C7H7N2O- 1 135.0564 -1.77
+  136.0401 C7H6NO2- 1 136.0404 -2
+  137.0356 C6H5N2O2- 1 137.0357 -0.23
+  140.0351 C6H6NO3- 1 140.0353 -1.68
+  141.1031 C7H13N2O- 1 141.1033 -1.4
+  142.0504 C6H8NO3- 1 142.051 -3.92
+  146.0608 C9H8NO- 1 146.0611 -2.21
+  151.0508 C7H7N2O2- 1 151.0513 -3.63
+  152.0829 C7H10N3O- 1 152.0829 -0.48
+  153.0668 C7H9N2O2- 1 153.067 -0.89
+  156.0771 C6H10N3O2- 2 156.0779 -4.52
+  160.0763 C10H10NO- 1 160.0768 -2.96
+  162.056 C9H8NO2- 1 162.0561 -0.61
+  165.0661 C6H7N5O- 2 165.0656 3.25
+  165.1029 C9H13N2O- 1 165.1033 -2.9
+  166.0505 C8H8NO3- 1 166.051 -2.57
+  170.0924 C5H10N6O- 1 170.0922 1.6
+  177.1028 C10H13N2O- 2 177.1033 -3.15
+  179.0455 C8H7N2O3- 2 179.0462 -3.78
+  185.0715 C11H9N2O- 2 185.072 -2.93
+  186.0549 C9H6N4O- 1 186.0547 0.85
+  187.1193 C6H19O6- 3 187.1187 3.2
+  194.1053 C8H12N5O- 2 194.1047 2.97
+  195.0882 C8H11N4O2- 3 195.0887 -2.76
+  202.1226 C11H14N4- 1 202.1224 1.23
+  203.0814 C9H9N5O- 1 203.0813 0.5
+  212.1146 C7H18NO6- 3 212.114 2.92
+  216.0897 C12H12N2O2- 2 216.0904 -3.39
+  229.141 C7H21N2O6- 3 229.1405 2.13
+  238.0934 C8H16NO7- 3 238.0932 0.63
+  246.1116 C12H14N4O2- 3 246.1122 -2.36
+  251.1136 C10H19O7- 2 251.1136 -0.24
+  260.103 C11H12N6O2- 2 260.1027 0.91
+  267.1098 C11H15N4O4- 3 267.1099 -0.26
+  272.14 H24N4O12- 4 272.1396 1.39
+  277.1548 C13H19N5O2- 2 277.1544 1.29
+  288.1354 C15H18N3O3- 4 288.1354 0.23
+  289.1335 C17H15N5- 5 289.1333 0.88
+  292.1031 C10H12N8O3- 3 292.1038 -2.29
+  307.1446 C4H25N3O12- 5 307.1444 0.81
+  337.1513 C15H21N4O5- 4 337.1517 -1.4
+  379.1736 C16H23N6O5- 6 379.1735 0.13
+  519.2612 C29H35N4O5- 9 519.2613 -0.27
+  583.265 C29H37N5O8- 9 583.2648 0.33
+PK$NUM_PEAK: 67
+PK$PEAK: m/z int. rel.int.
+  71.0254 19425.4 26
+  84.0093 43842.2 59
+  85.041 48200.1 64
+  86.0611 89139.1 120
+  91.0555 35055.6 47
+  96.009 222130.2 299
+  96.0205 33226.7 44
+  98.0247 157165.5 211
+  98.0358 103571 139
+  99.0201 174590 235
+  99.0563 95911.5 129
+  109.041 35181.2 47
+  110.0248 124821.7 168
+  112.0404 37640.1 50
+  113.0356 65810.5 88
+  116.0716 625341.4 841
+  122.0614 70132.9 94
+  123.0452 62665.5 84
+  123.0563 37890.9 51
+  124.0404 91984.7 123
+  124.0517 187581.6 252
+  125.0356 95136 128
+  127.0511 90068.5 121
+  135.0561 536344 722
+  136.0401 108094.9 145
+  137.0356 33935.9 45
+  140.0351 180451.6 242
+  141.1031 73405.7 98
+  142.0504 104680.1 140
+  146.0608 190321 256
+  151.0508 22116.6 29
+  152.0829 45034.6 60
+  153.0668 96996.2 130
+  156.0771 83668.8 112
+  160.0763 555930.7 748
+  162.056 33052.5 44
+  165.0661 20560.4 27
+  165.1029 165529.5 222
+  166.0505 72322.2 97
+  170.0924 91343.5 122
+  177.1028 27321.3 36
+  179.0455 432162.4 581
+  185.0715 24901.9 33
+  186.0549 61478.2 82
+  187.1193 75800.6 102
+  194.1053 68545.2 92
+  195.0882 246406.4 331
+  202.1226 250304.3 337
+  203.0814 215147.9 289
+  212.1146 153047.3 206
+  216.0897 100992.8 135
+  229.141 110210.3 148
+  238.0934 66343.3 89
+  246.1116 245197.9 330
+  251.1136 252777.4 340
+  260.103 217723.3 293
+  267.1098 66563.8 89
+  272.14 138569.4 186
+  277.1548 741965.3 999
+  288.1354 65759.2 88
+  289.1335 110138.7 148
+  292.1031 36766.8 49
+  307.1446 646208.8 870
+  337.1513 138666.4 186
+  379.1736 119323.5 160
+  519.2612 337970.8 455
+  583.265 197600.3 266
+//
diff --git a/Eawag/MSBNK-EAWAG-EC061656.txt b/Eawag/MSBNK-EAWAG-EC061656.txt
new file mode 100644
index 0000000000..b0e1ca6538
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC061656.txt
@@ -0,0 +1,257 @@
+ACCESSION: MSBNK-EAWAG-EC061656
+RECORD_TITLE: Cyanopeptolin CP962; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M-H]-; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md16070220
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 616
+CH$NAME: Cyanopeptolin CP962
+CH$NAME: 3-butyramido-4-((2,5-dibenzyl-15-(3-guanidinopropyl)-21-hydroxy-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C47H66N10O12
+CH$EXACT_MASS: 962.4861676
+CH$SMILES: CCCC(NC(C(NC(C(NC(CCCNC(N)=N)C(NC1C(N(C(C(N(C(C(NC2C(C)C)=O)CC3=CC=CC=C3)C)=O)CC4=CC=CC=C4)C(O)CC1)=O)=O)=O)C(OC2=O)C)=O)CC(O)=O)=O
+CH$IUPAC: InChI=1S/C47H66N10O12/c1-6-14-35(58)51-32(25-37(60)61)41(63)55-39-27(4)69-46(68)38(26(2)3)54-42(64)33(23-28-15-9-7-10-16-28)56(5)45(67)34(24-29-17-11-8-12-18-29)57-36(59)21-20-31(44(57)66)53-40(62)30(52-43(39)65)19-13-22-50-47(48)49/h7-12,15-18,26-27,30-34,36,38-39,59H,6,13-14,19-25H2,1-5H3,(H,51,58)(H,52,65)(H,53,62)(H,54,64)(H,55,63)(H,60,61)(H4,48,49,50)
+CH$LINK: PUBCHEM CID:139590674
+CH$LINK: INCHIKEY GKSSZFHZBNEQFN-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 68003705
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1002
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.025 min
+MS$FOCUSED_ION: BASE_PEAK 961.481
+MS$FOCUSED_ION: PRECURSOR_M/Z 961.4789
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-02bk-2920000000-2ba54eeb77ce275e6df3
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  58.0411 CH4N3- 1 58.0411 -0.26
+  67.0302 C3H3N2- 1 67.0302 0.02
+  69.0347 C4H5O- 1 69.0346 1.81
+  70.03 C3H4NO- 1 70.0298 1.87
+  71.0252 C2H3N2O- 1 71.0251 1.06
+  73.0407 C2H5N2O- 1 73.0407 -1.08
+  82.0298 C4H4NO- 1 82.0298 0.13
+  83.0253 C3H3N2O- 1 83.0251 2.47
+  84.0089 C3H2NO2- 1 84.0091 -2.02
+  85.0407 C3H5N2O- 1 85.0407 -0.7
+  86.0611 C4H8NO- 1 86.0611 -0.44
+  91.0554 C7H7- 1 91.0553 0.46
+  94.0297 C5H4NO- 1 94.0298 -1.26
+  96.009 C4H2NO2- 1 96.0091 -0.72
+  96.0205 C3H2N3O- 1 96.0203 1.24
+  96.9933 C4HO3- 1 96.9931 1.58
+  98.0249 C4H4NO2- 1 98.0248 1.38
+  98.0362 C3H4N3O- 1 98.036 1.74
+  99.0199 C3H3N2O2- 1 99.02 -0.8
+  99.0563 C4H7N2O- 1 99.0564 -1.11
+  108.0458 C6H6NO- 1 108.0455 2.44
+  109.0407 C5H5N2O- 1 109.0407 0.08
+  110.0247 C5H4NO2- 1 110.0248 -0.12
+  110.0614 C6H8NO- 1 110.0611 2.37
+  110.0725 C5H8N3- 1 110.0724 1.51
+  111.0199 C4H3N2O2- 1 111.02 -0.55
+  111.0561 C5H7N2O- 1 111.0564 -2.21
+  112.0281 C4H4N2O2- 1 112.0278 2.19
+  112.0406 C5H6NO2- 1 112.0404 1.55
+  113.0355 C4H5N2O2- 1 113.0357 -1.34
+  114.0198 C4H4NO3- 1 114.0197 1.61
+  116.0716 C5H10NO2- 1 116.0717 -0.98
+  118.0661 C8H8N- 1 118.0662 -0.96
+  122.0613 C7H8NO- 1 122.0611 1.07
+  123.0452 C7H7O2- 1 123.0452 0.33
+  123.0567 C6H7N2O- 1 123.0564 2.23
+  124.0404 C6H6NO2- 1 124.0404 0.08
+  124.0517 C5H6N3O- 1 124.0516 0.55
+  125.0355 C5H5N2O2- 1 125.0357 -1.14
+  127.051 C5H7N2O2- 1 127.0513 -2.62
+  130.0986 C5H12N3O- 1 130.0986 0.4
+  131.0501 C9H7O- 1 131.0502 -0.99
+  135.0561 C7H7N2O- 1 135.0564 -1.88
+  136.0402 C7H6NO2- 1 136.0404 -1.44
+  136.0514 C6H6N3O- 1 136.0516 -2.02
+  137.0351 C6H5N2O2- 1 137.0357 -4.02
+  137.0721 C7H9N2O- 1 137.072 0.82
+  137.1084 C8H13N2- 1 137.1084 -0.25
+  138.0557 C7H8NO2- 1 138.0561 -2.74
+  139.0509 C6H7N2O2- 1 139.0513 -3.1
+  140.035 C6H6NO3- 1 140.0353 -2.55
+  140.0832 C6H10N3O- 1 140.0829 1.61
+  141.0668 C6H9N2O2- 1 141.067 -1.34
+  141.103 C7H13N2O- 1 141.1033 -2.05
+  146.0607 C9H8NO- 1 146.0611 -3.15
+  148.0404 C8H6NO2- 1 148.0404 -0.27
+  150.0674 C7H8N3O- 1 150.0673 0.93
+  151.0513 C7H7N2O2- 1 151.0513 -0.2
+  152.0832 C7H10N3O- 1 152.0829 1.62
+  153.0305 C6H5N2O3- 1 153.0306 -0.23
+  153.0664 C7H9N2O2- 1 153.067 -3.28
+  154.0626 C6H8N3O2- 1 154.0622 2.45
+  154.0986 C7H12N3O- 1 154.0986 0.02
+  155.0452 C4H5N5O2- 1 155.0449 2.43
+  155.0942 C6H11N4O- 1 155.0938 2.15
+  156.0773 C6H10N3O2- 1 156.0779 -3.54
+  160.0762 C10H10NO- 2 160.0768 -3.44
+  161.0354 C8H5N2O2- 1 161.0357 -1.69
+  163.0506 C8H7N2O2- 2 163.0513 -4.38
+  164.071 C7H8N4O- 2 164.0704 3.77
+  165.0661 C6H7N5O- 1 165.0656 2.88
+  165.1029 C9H13N2O- 1 165.1033 -2.62
+  166.0504 C8H8NO3- 2 166.051 -3.39
+  166.0983 C8H12N3O- 1 166.0986 -1.81
+  167.0825 C8H11N2O2- 1 167.0826 -0.71
+  170.0929 C5H10N6O- 2 170.0922 4.11
+  174.0564 C10H8NO2- 1 174.0561 1.88
+  178.0618 C8H8N3O2- 1 178.0622 -2.33
+  178.087 C10H12NO2- 1 178.0874 -1.94
+  182.0919 C6H10N6O- 1 182.0922 -1.61
+  185.0717 C11H9N2O- 1 185.072 -1.86
+  187.1192 C6H19O6- 3 187.1187 2.87
+  194.1051 C8H12N5O- 2 194.1047 1.95
+  195.0881 C8H11N4O2- 3 195.0887 -3.55
+  197.0718 C12H9N2O- 1 197.072 -1.42
+  198.0987 C6H16NO6- 3 198.0983 2.09
+  201.0663 C11H9N2O2- 2 201.067 -3.38
+  202.1226 C11H14N4- 1 202.1224 0.85
+  203.0819 C9H9N5O- 2 203.0813 3.13
+  204.1136 C11H14N3O- 2 204.1142 -3.15
+  207.0885 C9H11N4O2- 1 207.0887 -1.43
+  209.0939 C10H13N2O3- 1 209.0932 3.58
+  212.115 C7H18NO6- 3 212.114 4.72
+  213.0985 C7H17O7- 3 213.098 2.27
+  213.1351 C9H17N4O2- 3 213.1357 -2.62
+  215.0818 C12H11N2O2- 2 215.0826 -3.67
+  216.0898 C12H12N2O2- 2 216.0904 -3.11
+  222.1247 C11H16N3O2- 1 222.1248 -0.64
+  229.1407 C7H21N2O6- 2 229.1405 0.73
+  232.1079 C10H12N6O- 1 232.1078 0.36
+  243.0769 C13H11N2O3- 2 243.0775 -2.37
+  260.103 C11H12N6O2- 2 260.1027 1.15
+  270.1569 C11H20N5O3- 3 270.1572 -0.98
+  272.1398 H24N4O12- 4 272.1396 0.6
+  277.1546 C13H19N5O2- 2 277.1544 0.63
+  289.1332 C17H15N5- 5 289.1333 -0.5
+  307.1446 C4H25N3O12- 6 307.1444 0.61
+PK$NUM_PEAK: 107
+PK$PEAK: m/z int. rel.int.
+  58.0411 41738.1 33
+  67.0302 49016.5 39
+  69.0347 27081 21
+  70.03 47408.6 38
+  71.0252 81425.1 66
+  73.0407 171036.4 138
+  82.0298 32390.6 26
+  83.0253 46054.9 37
+  84.0089 90363.3 73
+  85.0407 216324 175
+  86.0611 197106.4 160
+  91.0554 162898.3 132
+  94.0297 40301.8 32
+  96.009 439600 357
+  96.0205 33706.3 27
+  96.9933 34121.7 27
+  98.0249 292180.5 237
+  98.0362 159093.8 129
+  99.0199 394848 320
+  99.0563 138995.7 112
+  108.0458 24220.4 19
+  109.0407 72553.3 58
+  110.0247 320065.1 260
+  110.0614 33023.3 26
+  110.0725 32901.1 26
+  111.0199 66559.7 54
+  111.0561 137907 112
+  112.0281 56791.2 46
+  112.0406 54294.1 44
+  113.0355 108732.5 88
+  114.0198 16802.3 13
+  116.0716 1229748 999
+  118.0661 29137.9 23
+  122.0613 72035.3 58
+  123.0452 72393.5 58
+  123.0567 84536.3 68
+  124.0404 173334 140
+  124.0517 124302.1 100
+  125.0355 471056.1 382
+  127.051 121519.6 98
+  130.0986 56509.2 45
+  131.0501 117826.6 95
+  135.0561 737901.5 599
+  136.0402 190169.6 154
+  136.0514 18897.5 15
+  137.0351 58267.6 47
+  137.0721 44739.3 36
+  137.1084 37401.7 30
+  138.0557 47025 38
+  139.0509 55092.3 44
+  140.035 95551.1 77
+  140.0832 47687.3 38
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+  153.0305 88891.5 72
+  153.0664 150134 121
+  154.0626 15464.6 12
+  154.0986 33692.5 27
+  155.0452 20012.1 16
+  155.0942 61976.5 50
+  156.0773 173038.2 140
+  160.0762 1130491.5 918
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+  163.0506 23720.4 19
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+  167.0825 43924.3 35
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+  174.0564 26482.1 21
+  178.0618 54380.3 44
+  178.087 53639.4 43
+  182.0919 70071.5 56
+  185.0717 55278.2 44
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+  194.1051 75621.9 61
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+  202.1226 471464.1 382
+  203.0819 263124.8 213
+  204.1136 31972.5 25
+  207.0885 46728.4 37
+  209.0939 47252.3 38
+  212.115 152544.6 123
+  213.0985 174429.3 141
+  213.1351 72922.1 59
+  215.0818 61391.6 49
+  216.0898 100790.5 81
+  222.1247 38774.6 31
+  229.1407 215282.4 174
+  232.1079 104285.1 84
+  243.0769 86231.2 70
+  260.103 118731.6 96
+  270.1569 43568.6 35
+  272.1398 64604.3 52
+  277.1546 423429.3 343
+  289.1332 82007.1 66
+  307.1446 259812.2 211
+//
diff --git a/Eawag/MSBNK-EAWAG-EC061657.txt b/Eawag/MSBNK-EAWAG-EC061657.txt
new file mode 100644
index 0000000000..f61ad66671
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC061657.txt
@@ -0,0 +1,219 @@
+ACCESSION: MSBNK-EAWAG-EC061657
+RECORD_TITLE: Cyanopeptolin CP962; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M-H]-; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md16070220
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 616
+CH$NAME: Cyanopeptolin CP962
+CH$NAME: 3-butyramido-4-((2,5-dibenzyl-15-(3-guanidinopropyl)-21-hydroxy-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C47H66N10O12
+CH$EXACT_MASS: 962.4861676
+CH$SMILES: CCCC(NC(C(NC(C(NC(CCCNC(N)=N)C(NC1C(N(C(C(N(C(C(NC2C(C)C)=O)CC3=CC=CC=C3)C)=O)CC4=CC=CC=C4)C(O)CC1)=O)=O)=O)C(OC2=O)C)=O)CC(O)=O)=O
+CH$IUPAC: InChI=1S/C47H66N10O12/c1-6-14-35(58)51-32(25-37(60)61)41(63)55-39-27(4)69-46(68)38(26(2)3)54-42(64)33(23-28-15-9-7-10-16-28)56(5)45(67)34(24-29-17-11-8-12-18-29)57-36(59)21-20-31(44(57)66)53-40(62)30(52-43(39)65)19-13-22-50-47(48)49/h7-12,15-18,26-27,30-34,36,38-39,59H,6,13-14,19-25H2,1-5H3,(H,51,58)(H,52,65)(H,53,62)(H,54,64)(H,55,63)(H,60,61)(H4,48,49,50)
+CH$LINK: PUBCHEM CID:139590674
+CH$LINK: INCHIKEY GKSSZFHZBNEQFN-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 68003705
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1002
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.025 min
+MS$FOCUSED_ION: BASE_PEAK 961.481
+MS$FOCUSED_ION: PRECURSOR_M/Z 961.4789
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-02ij-3900000000-df8f3f349b6eac5ca45d
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  58.041 CH4N3- 1 58.0411 -1.11
+  66.035 C4H4N- 1 66.0349 1.67
+  67.0303 C3H3N2- 1 67.0302 1.39
+  69.0347 C4H5O- 1 69.0346 2.14
+  70.0296 C3H4NO- 1 70.0298 -2.93
+  71.025 C2H3N2O- 1 71.0251 -1.19
+  73.0407 C2H5N2O- 1 73.0407 -0.35
+  83.0249 C3H3N2O- 1 83.0251 -1.76
+  83.0616 C4H7N2- 1 83.0615 1.35
+  84.0091 C3H2NO2- 1 84.0091 0.25
+  84.0456 C4H6NO- 1 84.0455 1.06
+  85.0407 C3H5N2O- 1 85.0407 -0.7
+  86.0611 C4H8NO- 1 86.0611 -0.97
+  87.0566 C3H7N2O- 1 87.0564 2.07
+  91.0553 C7H7- 1 91.0553 -0.38
+  92.0507 C6H6N- 1 92.0506 1.16
+  94.03 C5H4NO- 1 94.0298 1.82
+  96.0091 C4H2NO2- 1 96.0091 -0.32
+  96.9932 C4HO3- 1 96.9931 0.72
+  97.0408 C4H5N2O- 1 97.0407 0.21
+  98.0249 C4H4NO2- 1 98.0248 1.62
+  98.0361 C3H4N3O- 1 98.036 1.35
+  99.0199 C3H3N2O2- 1 99.02 -0.88
+  99.0561 C4H7N2O- 1 99.0564 -2.5
+  103.0554 C8H7- 1 103.0553 0.33
+  108.0456 C6H6NO- 1 108.0455 1.24
+  109.0409 C5H5N2O- 1 109.0407 1.2
+  110.0247 C5H4NO2- 1 110.0248 -0.05
+  110.0724 C5H8N3- 1 110.0724 -0.15
+  111.0197 C4H3N2O2- 1 111.02 -2.48
+  111.0564 C5H7N2O- 1 111.0564 0.2
+  112.028 C4H4N2O2- 1 112.0278 1.37
+  112.0404 C5H6NO2- 1 112.0404 0.05
+  113.0356 C4H5N2O2- 1 113.0357 -0.86
+  113.072 C5H9N2O- 1 113.072 0.01
+  116.0503 C8H6N- 1 116.0506 -1.93
+  116.0716 C5H10NO2- 1 116.0717 -0.72
+  118.0663 C8H8N- 1 118.0662 0.98
+  122.0612 C7H8NO- 1 122.0611 0.45
+  123.0452 C7H7O2- 1 123.0452 0.58
+  123.0565 C6H7N2O- 1 123.0564 0.8
+  124.0405 C6H6NO2- 1 124.0404 0.45
+  124.0519 C5H6N3O- 1 124.0516 2.03
+  125.0355 C5H5N2O2- 1 125.0357 -1.45
+  125.0722 C6H9N2O- 1 125.072 1.29
+  127.0512 C5H7N2O2- 1 127.0513 -0.76
+  127.0877 C6H11N2O- 1 127.0877 0.31
+  130.0984 C5H12N3O- 1 130.0986 -1.24
+  131.05 C9H7O- 1 131.0502 -2.04
+  135.0561 C7H7N2O- 1 135.0564 -1.88
+  136.0402 C7H6NO2- 1 136.0404 -1.77
+  136.0516 C6H6N3O- 1 136.0516 -0.11
+  136.077 C8H10NO- 1 136.0768 1.52
+  137.0351 C6H5N2O2- 1 137.0357 -3.91
+  137.072 C7H9N2O- 1 137.072 -0.3
+  138.0559 C7H8NO2- 1 138.0561 -0.98
+  139.0509 C6H7N2O2- 1 139.0513 -3.1
+  141.067 C6H9N2O2- 1 141.067 0.5
+  141.1032 C7H13N2O- 1 141.1033 -1.07
+  146.0609 C9H8NO- 1 146.0611 -1.68
+  147.0447 C9H7O2- 1 147.0452 -3.14
+  150.0673 C7H8N3O- 1 150.0673 0.42
+  151.0511 C7H7N2O2- 1 151.0513 -1.31
+  152.0828 C7H10N3O- 1 152.0829 -0.89
+  153.0664 C7H9N2O2- 1 153.067 -3.58
+  154.0982 C7H12N3O- 1 154.0986 -2.46
+  156.0775 C6H10N3O2- 1 156.0779 -2.37
+  158.0608 C10H8NO- 1 158.0611 -2.05
+  160.0763 C10H10NO- 1 160.0768 -3.06
+  165.1032 C9H13N2O- 1 165.1033 -0.59
+  166.0981 C8H12N3O- 1 166.0986 -3.01
+  169.1091 C7H13N4O- 1 169.1095 -2.35
+  170.0929 C5H10N6O- 2 170.0922 4.2
+  175.0875 C10H11N2O- 1 175.0877 -1.18
+  177.1032 C10H13N2O- 1 177.1033 -0.99
+  179.0458 C8H7N2O3- 1 179.0462 -2.33
+  185.0717 C11H9N2O- 1 185.072 -2.02
+  186.0558 C11H8NO2- 1 186.0561 -1.53
+  187.1192 C6H19O6- 3 187.1187 2.79
+  202.1226 C11H14N4- 1 202.1224 1
+  203.0815 C9H9N5O- 1 203.0813 0.95
+  206.1295 C11H16N3O- 2 206.1299 -2.06
+  212.1141 C7H18NO6- 2 212.114 0.62
+  213.098 C6H11N7O2- 2 213.098 0
+  215.0816 C12H11N2O2- 2 215.0826 -4.52
+  216.0902 C12H12N2O2- 1 216.0904 -0.92
+  232.1085 C10H12N6O- 2 232.1078 2.86
+  234.1232 C10H14N6O- 3 234.1235 -1.21
+PK$NUM_PEAK: 88
+PK$PEAK: m/z int. rel.int.
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+  185.0717 48881.8 39
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+  203.0815 154417.7 123
+  206.1295 48575.3 38
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+  213.098 125868.8 100
+  215.0816 61972.7 49
+  216.0902 42143.6 33
+  232.1085 71213.2 57
+  234.1232 65703.4 52
+//
diff --git a/Eawag/MSBNK-EAWAG-EC061658.txt b/Eawag/MSBNK-EAWAG-EC061658.txt
new file mode 100644
index 0000000000..c0707cf8e3
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC061658.txt
@@ -0,0 +1,205 @@
+ACCESSION: MSBNK-EAWAG-EC061658
+RECORD_TITLE: Cyanopeptolin CP962; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M-H]-; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md16070220
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 616
+CH$NAME: Cyanopeptolin CP962
+CH$NAME: 3-butyramido-4-((2,5-dibenzyl-15-(3-guanidinopropyl)-21-hydroxy-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C47H66N10O12
+CH$EXACT_MASS: 962.4861676
+CH$SMILES: CCCC(NC(C(NC(C(NC(CCCNC(N)=N)C(NC1C(N(C(C(N(C(C(NC2C(C)C)=O)CC3=CC=CC=C3)C)=O)CC4=CC=CC=C4)C(O)CC1)=O)=O)=O)C(OC2=O)C)=O)CC(O)=O)=O
+CH$IUPAC: InChI=1S/C47H66N10O12/c1-6-14-35(58)51-32(25-37(60)61)41(63)55-39-27(4)69-46(68)38(26(2)3)54-42(64)33(23-28-15-9-7-10-16-28)56(5)45(67)34(24-29-17-11-8-12-18-29)57-36(59)21-20-31(44(57)66)53-40(62)30(52-43(39)65)19-13-22-50-47(48)49/h7-12,15-18,26-27,30-34,36,38-39,59H,6,13-14,19-25H2,1-5H3,(H,51,58)(H,52,65)(H,53,62)(H,54,64)(H,55,63)(H,60,61)(H4,48,49,50)
+CH$LINK: PUBCHEM CID:139590674
+CH$LINK: INCHIKEY GKSSZFHZBNEQFN-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 68003705
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1002
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.025 min
+MS$FOCUSED_ION: BASE_PEAK 961.481
+MS$FOCUSED_ION: PRECURSOR_M/Z 961.4789
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-02bs-4900000000-fa4beb738f593790aed0
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  58.0298 C2H4NO- 1 58.0298 -0.87
+  58.041 CH4N3- 1 58.0411 -0.85
+  66.0351 C4H4N- 1 66.0349 2.48
+  67.03 C3H3N2- 1 67.0302 -2.48
+  69.0347 C4H5O- 1 69.0346 1.03
+  70.0297 C3H4NO- 1 70.0298 -1.73
+  71.0251 C2H3N2O- 1 71.0251 0.63
+  73.0407 C2H5N2O- 1 73.0407 -0.97
+  81.0346 C5H5O- 1 81.0346 0.64
+  82.0298 C4H4NO- 1 82.0298 -0.06
+  83.025 C3H3N2O- 1 83.0251 -1.48
+  83.0616 C4H7N2- 1 83.0615 1.17
+  84.0089 C3H2NO2- 1 84.0091 -2.66
+  85.0407 C3H5N2O- 1 85.0407 -0.79
+  86.061 C4H8NO- 1 86.0611 -1.06
+  87.0562 C3H7N2O- 1 87.0564 -2.05
+  91.0553 C7H7- 1 91.0553 -0.46
+  92.0508 C6H6N- 1 92.0506 2.65
+  94.03 C5H4NO- 1 94.0298 2.07
+  96.009 C4H2NO2- 1 96.0091 -0.96
+  96.0459 C5H6NO- 1 96.0455 4.28
+  96.9931 C4HO3- 1 96.9931 -0.62
+  97.041 C4H5N2O- 1 97.0407 2.64
+  98.0246 C4H4NO2- 1 98.0248 -1.18
+  98.0359 C3H4N3O- 1 98.036 -0.9
+  99.0199 C3H3N2O2- 1 99.02 -0.72
+  99.0563 C4H7N2O- 1 99.0564 -0.73
+  101.0357 C3H5N2O2- 1 101.0357 0.25
+  107.0379 C6H5NO- 1 107.0377 1.8
+  108.0458 C6H6NO- 1 108.0455 2.79
+  109.0409 C5H5N2O- 1 109.0407 1.55
+  110.0247 C5H4NO2- 1 110.0248 -0.54
+  110.0612 C6H8NO- 1 110.0611 0.63
+  110.0723 C5H8N3- 1 110.0724 -0.43
+  111.0197 C4H3N2O2- 1 111.02 -2.34
+  111.0562 C5H7N2O- 1 111.0564 -1.93
+  112.0281 C4H4N2O2- 1 112.0278 2.19
+  112.077 C6H10NO- 1 112.0768 2.15
+  113.0355 C4H5N2O2- 1 113.0357 -1.47
+  113.0719 C5H9N2O- 1 113.072 -1.41
+  116.0509 C8H6N- 1 116.0506 3.06
+  116.0716 C5H10NO2- 1 116.0717 -1.24
+  118.0662 C8H8N- 1 118.0662 0.14
+  122.0611 C7H8NO- 1 122.0611 -0.49
+  123.0565 C6H7N2O- 1 123.0564 0.55
+  124.0405 C6H6NO2- 1 124.0404 0.76
+  124.0516 C5H6N3O- 1 124.0516 -0.49
+  125.0354 C5H5N2O2- 1 125.0357 -1.81
+  127.0514 C5H7N2O2- 1 127.0513 0.92
+  127.088 C6H11N2O- 1 127.0877 2.35
+  130.0984 C5H12N3O- 1 130.0986 -1.71
+  131.0499 C9H7O- 1 131.0502 -2.51
+  135.0562 C7H7N2O- 1 135.0564 -1.43
+  136.04 C7H6NO2- 1 136.0404 -2.9
+  137.0352 C6H5N2O2- 1 137.0357 -3.24
+  137.072 C7H9N2O- 1 137.072 0.04
+  138.0556 C7H8NO2- 1 138.0561 -3.19
+  138.0672 C6H8N3O- 1 138.0673 -0.45
+  139.0511 C6H7N2O2- 1 139.0513 -1.34
+  139.088 C7H11N2O- 1 139.0877 2.11
+  140.0829 C6H10N3O- 1 140.0829 -0.46
+  141.0671 C6H9N2O2- 1 141.067 0.83
+  141.1028 C7H13N2O- 1 141.1033 -3.45
+  146.0606 C9H8NO- 1 146.0611 -3.98
+  147.045 C9H7O2- 1 147.0452 -0.76
+  149.0718 C8H9N2O- 1 149.072 -1.49
+  151.0507 C7H7N2O2- 1 151.0513 -3.83
+  152.083 C7H10N3O- 1 152.0829 0.32
+  153.0304 C6H5N2O3- 1 153.0306 -0.93
+  153.0664 C7H9N2O2- 2 153.067 -3.78
+  156.0773 C6H10N3O2- 1 156.0779 -3.25
+  160.0763 C10H10NO- 1 160.0768 -2.87
+  169.1092 C7H13N4O- 1 169.1095 -1.63
+  170.0928 C5H10N6O- 2 170.0922 4.02
+  187.1193 C6H19O6- 3 187.1187 3.03
+  196.108 C7H12N6O- 1 196.1078 1.09
+  201.0669 C11H9N2O2- 1 201.067 -0.49
+  201.1348 C7H21O6- 3 201.1344 2.25
+  202.1231 C11H14N4- 2 202.1224 3.27
+  215.0817 C12H11N2O2- 2 215.0826 -4.38
+  243.0764 C11H9N5O2- 2 243.0762 0.77
+PK$NUM_PEAK: 81
+PK$PEAK: m/z int. rel.int.
+  58.0298 25844.3 32
+  58.041 80308.1 100
+  66.0351 49473.3 61
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+  83.025 103345.4 128
+  83.0616 26166.8 32
+  84.0089 52470.9 65
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+  86.061 255307.3 318
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+  99.0563 57532.8 71
+  101.0357 23990.7 29
+  107.0379 15809.5 19
+  108.0458 56702.5 70
+  109.0409 80962.4 100
+  110.0247 251318.4 313
+  110.0612 45310.4 56
+  110.0723 32212.6 40
+  111.0197 117371.1 146
+  111.0562 79573.1 99
+  112.0281 203404.9 253
+  112.077 30825.9 38
+  113.0355 119275.7 148
+  113.0719 67284.8 83
+  116.0509 57943.6 72
+  116.0716 801153.5 999
+  118.0662 56407 70
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+  123.0565 121171.5 151
+  124.0405 93601.1 116
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+  125.0354 702086.1 875
+  127.0514 41764 52
+  127.088 42585.2 53
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+  131.0499 59105.1 73
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+  136.04 112288.6 140
+  137.0352 90202.9 112
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+  138.0672 21511.5 26
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+  139.088 27801.8 34
+  140.0829 49217.2 61
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+  146.0606 79568 99
+  147.045 41635 51
+  149.0718 31443.1 39
+  151.0507 25593.5 31
+  152.083 121022.7 150
+  153.0304 37649.6 46
+  153.0664 50691.3 63
+  156.0773 161395.1 201
+  160.0763 446303.6 556
+  169.1092 99008 123
+  170.0928 221803.7 276
+  187.1193 513074.2 639
+  196.108 51930.8 64
+  201.0669 32542.3 40
+  201.1348 22652.4 28
+  202.1231 47474.8 59
+  215.0817 32652.8 40
+  243.0764 25989.6 32
+//
diff --git a/Eawag/MSBNK-EAWAG-EC061659.txt b/Eawag/MSBNK-EAWAG-EC061659.txt
new file mode 100644
index 0000000000..085fdd57d7
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC061659.txt
@@ -0,0 +1,165 @@
+ACCESSION: MSBNK-EAWAG-EC061659
+RECORD_TITLE: Cyanopeptolin CP962; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M-H]-; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md16070220
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 616
+CH$NAME: Cyanopeptolin CP962
+CH$NAME: 3-butyramido-4-((2,5-dibenzyl-15-(3-guanidinopropyl)-21-hydroxy-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C47H66N10O12
+CH$EXACT_MASS: 962.4861676
+CH$SMILES: CCCC(NC(C(NC(C(NC(CCCNC(N)=N)C(NC1C(N(C(C(N(C(C(NC2C(C)C)=O)CC3=CC=CC=C3)C)=O)CC4=CC=CC=C4)C(O)CC1)=O)=O)=O)C(OC2=O)C)=O)CC(O)=O)=O
+CH$IUPAC: InChI=1S/C47H66N10O12/c1-6-14-35(58)51-32(25-37(60)61)41(63)55-39-27(4)69-46(68)38(26(2)3)54-42(64)33(23-28-15-9-7-10-16-28)56(5)45(67)34(24-29-17-11-8-12-18-29)57-36(59)21-20-31(44(57)66)53-40(62)30(52-43(39)65)19-13-22-50-47(48)49/h7-12,15-18,26-27,30-34,36,38-39,59H,6,13-14,19-25H2,1-5H3,(H,51,58)(H,52,65)(H,53,62)(H,54,64)(H,55,63)(H,60,61)(H4,48,49,50)
+CH$LINK: PUBCHEM CID:139590674
+CH$LINK: INCHIKEY GKSSZFHZBNEQFN-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 68003705
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1002
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.025 min
+MS$FOCUSED_ION: BASE_PEAK 961.481
+MS$FOCUSED_ION: PRECURSOR_M/Z 961.4789
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-02ib-7900000000-ad659f18339839ce7b4a
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  58.0298 C2H4NO- 1 58.0298 0.18
+  58.041 CH4N3- 1 58.0411 -1.77
+  67.0303 C3H3N2- 1 67.0302 1.61
+  68.0505 C4H6N- 1 68.0506 -0.54
+  69.0347 C4H5O- 1 69.0346 0.92
+  70.0298 C3H4NO- 1 70.0298 0.12
+  71.0251 C2H3N2O- 1 71.0251 -0.44
+  73.0407 C2H5N2O- 1 73.0407 -0.87
+  81.0347 C5H5O- 1 81.0346 1.11
+  82.0298 C4H4NO- 1 82.0298 -0.43
+  83.0251 C3H3N2O- 1 83.0251 -0.2
+  83.0616 C4H7N2- 1 83.0615 1.17
+  84.0093 C3H2NO2- 1 84.0091 1.89
+  84.0454 C4H6NO- 1 84.0455 -0.85
+  85.0407 C3H5N2O- 1 85.0407 -0.7
+  86.0611 C4H8NO- 1 86.0611 -0.89
+  87.0562 C3H7N2O- 1 87.0564 -1.62
+  91.0551 C7H7- 1 91.0553 -1.97
+  92.0503 C6H6N- 1 92.0506 -2.73
+  94.0297 C5H4NO- 1 94.0298 -1.1
+  95.0253 C4H3N2O- 1 95.0251 2.32
+  96.009 C4H2NO2- 1 96.0091 -0.56
+  96.9931 C4HO3- 1 96.9931 0.09
+  97.0044 C3HN2O2- 1 97.0044 1
+  97.0407 C4H5N2O- 1 97.0407 -0.82
+  98.0246 C4H4NO2- 1 98.0248 -1.26
+  99.02 C3H3N2O2- 1 99.02 -0.41
+  99.0565 C4H7N2O- 1 99.0564 1.27
+  108.0456 C6H6NO- 1 108.0455 0.88
+  109.0409 C5H5N2O- 1 109.0407 1.06
+  110.0249 C5H4NO2- 1 110.0248 0.92
+  111.0198 C4H3N2O2- 1 111.02 -1.44
+  111.0565 C5H7N2O- 1 111.0564 0.68
+  112.0278 C4H4N2O2- 1 112.0278 -0.33
+  112.0766 C6H10NO- 1 112.0768 -1.39
+  113.0355 C4H5N2O2- 1 113.0357 -1.27
+  113.0722 C5H9N2O- 1 113.072 1.15
+  116.0506 C8H6N- 1 116.0506 -0.09
+  116.0716 C5H10NO2- 1 116.0717 -0.78
+  118.0661 C8H8N- 1 118.0662 -1.15
+  123.0326 C6H5NO2- 1 123.0326 -0.14
+  124.0402 C6H6NO2- 1 124.0404 -1.76
+  125.0354 C5H5N2O2- 1 125.0357 -1.69
+  127.0878 C6H11N2O- 1 127.0877 1.21
+  130.0986 C5H12N3O- 1 130.0986 0.05
+  131.0504 C9H7O- 1 131.0502 1.45
+  135.0564 C7H7N2O- 1 135.0564 0.04
+  136.0403 C7H6NO2- 1 136.0404 -0.88
+  138.0434 C6H6N2O2- 1 138.0435 -0.84
+  139.0876 C7H11N2O- 1 139.0877 -0.86
+  141.1035 C7H13N2O- 1 141.1033 1.3
+  142.0982 C6H12N3O- 1 142.0986 -2.5
+  149.0717 C8H9N2O- 1 149.072 -2.2
+  152.083 C7H10N3O- 1 152.0829 0.42
+  154.0981 C7H12N3O- 1 154.0986 -3.25
+  156.0772 C6H10N3O2- 2 156.0779 -4.23
+  160.0764 C10H10NO- 1 160.0768 -2.49
+  166.0982 C8H12N3O- 1 166.0986 -2.55
+  169.109 C7H13N4O- 3 169.1095 -3.07
+  170.0928 C5H10N6O- 2 170.0922 3.49
+  187.1193 C6H19O6- 3 187.1187 2.95
+PK$NUM_PEAK: 61
+PK$PEAK: m/z int. rel.int.
+  58.0298 14038.8 23
+  58.041 53861.9 91
+  67.0303 39055.8 66
+  68.0505 31247.5 53
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+  81.0347 30981 52
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+  84.0093 26866.9 45
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+  85.0407 151760.5 257
+  86.0611 206311.1 350
+  87.0562 59724.9 101
+  91.0551 103910.1 176
+  92.0503 21586.1 36
+  94.0297 52271.3 88
+  95.0253 29110.6 49
+  96.009 427597.6 726
+  96.9931 27286.9 46
+  97.0044 25905.8 43
+  97.0407 47623.9 80
+  98.0246 184895 313
+  99.02 234577.4 398
+  99.0565 36198.8 61
+  108.0456 50929.2 86
+  109.0409 70551.2 119
+  110.0249 216467.5 367
+  111.0198 95421.7 162
+  111.0565 37413.5 63
+  112.0278 203016.8 344
+  112.0766 28251.8 47
+  113.0355 82402.6 139
+  113.0722 54632.5 92
+  116.0506 60636.8 102
+  116.0716 480025.7 815
+  118.0661 56367.1 95
+  123.0326 21941 37
+  124.0402 46990.8 79
+  125.0354 588289.6 999
+  127.0878 38253.8 64
+  130.0986 107002.2 181
+  131.0504 35623.5 60
+  135.0564 181039.7 307
+  136.0403 60350.8 102
+  138.0434 29999.2 50
+  139.0876 14541 24
+  141.1035 34682.2 58
+  142.0982 14240.6 24
+  149.0717 26991.4 45
+  152.083 61147.9 103
+  154.0981 38012.1 64
+  156.0772 103152.5 175
+  160.0764 195117.3 331
+  166.0982 17619.1 29
+  169.109 83005.9 140
+  170.0928 115056.3 195
+  187.1193 188737.7 320
+//
diff --git a/Eawag/MSBNK-EAWAG-EC063901.txt b/Eawag/MSBNK-EAWAG-EC063901.txt
new file mode 100644
index 0000000000..3deb72c1e3
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC063901.txt
@@ -0,0 +1,48 @@
+ACCESSION: MSBNK-EAWAG-EC063901
+RECORD_TITLE: Cyanopeptolin 972; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.aquatox.2023.106689
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 638
+CH$NAME: Cyanopeptolin 972
+CH$NAME: 5-[[15-[3-(diaminomethylideneamino)propyl]-21-hydroxy-5-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-2-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-5-oxo-4-(pentanoylamino)pentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C46H72N10O13
+CH$EXACT_MASS: 972.5280324
+CH$SMILES: O=C(NC(CCCNC(N)=N)C(NC1C(N(C(C(N(C(C(NC2C(C)C)=O)CC3=CC=C(O)C=C3)C)=O)CC(C)C)C(O)CC1)=O)=O)C(C(OC2=O)C)NC(C(CCC(O)=O)NC(CCCC)=O)=O
+CH$IUPAC: InChI=1S/C46H72N10O13/c1-8-9-12-34(58)50-30(18-20-36(60)61)40(63)54-38-26(6)69-45(68)37(25(4)5)53-41(64)32(23-27-13-15-28(57)16-14-27)55(7)44(67)33(22-24(2)3)56-35(59)19-17-31(43(56)66)52-39(62)29(51-42(38)65)11-10-21-49-46(47)48/h13-16,24-26,29-33,35,37-38,57,59H,8-12,17-23H2,1-7H3,(H,50,58)(H,51,65)(H,52,62)(H,53,64)(H,54,63)(H,60,61)(H4,47,48,49)
+CH$LINK: PUBCHEM CID:155802244
+CH$LINK: INCHIKEY OHHAWMYRUPJTKQ-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1014
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.208 min
+MS$FOCUSED_ION: BASE_PEAK 973.5326
+MS$FOCUSED_ION: PRECURSOR_M/Z 973.5353
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00di-0000000009-070101d5531cdac45298
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  108.1717 C3H24O3+ 1 108.172 -2.88
+  760.4341 C35H62N5O13+ 8 760.4339 0.32
+  973.5342 C46H73N10O13+ 1 973.5353 -1.14
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  108.1717 588040.8 47
+  760.4341 288860.2 23
+  973.5342 12410275 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC063902.txt b/Eawag/MSBNK-EAWAG-EC063902.txt
new file mode 100644
index 0000000000..acb751dd67
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC063902.txt
@@ -0,0 +1,50 @@
+ACCESSION: MSBNK-EAWAG-EC063902
+RECORD_TITLE: Cyanopeptolin 972; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.aquatox.2023.106689
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 638
+CH$NAME: Cyanopeptolin 972
+CH$NAME: 5-[[15-[3-(diaminomethylideneamino)propyl]-21-hydroxy-5-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-2-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-5-oxo-4-(pentanoylamino)pentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C46H72N10O13
+CH$EXACT_MASS: 972.5280324
+CH$SMILES: O=C(NC(CCCNC(N)=N)C(NC1C(N(C(C(N(C(C(NC2C(C)C)=O)CC3=CC=C(O)C=C3)C)=O)CC(C)C)C(O)CC1)=O)=O)C(C(OC2=O)C)NC(C(CCC(O)=O)NC(CCCC)=O)=O
+CH$IUPAC: InChI=1S/C46H72N10O13/c1-8-9-12-34(58)50-30(18-20-36(60)61)40(63)54-38-26(6)69-45(68)37(25(4)5)53-41(64)32(23-27-13-15-28(57)16-14-27)55(7)44(67)33(22-24(2)3)56-35(59)19-17-31(43(56)66)52-39(62)29(51-42(38)65)11-10-21-49-46(47)48/h13-16,24-26,29-33,35,37-38,57,59H,8-12,17-23H2,1-7H3,(H,50,58)(H,51,65)(H,52,62)(H,53,64)(H,54,63)(H,60,61)(H4,47,48,49)
+CH$LINK: PUBCHEM CID:155802244
+CH$LINK: INCHIKEY OHHAWMYRUPJTKQ-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1014
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.208 min
+MS$FOCUSED_ION: BASE_PEAK 973.5326
+MS$FOCUSED_ION: PRECURSOR_M/Z 973.5353
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00di-0000000109-5816ee8babd268d8a1f0
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  108.1717 C3H24O3+ 1 108.172 -2.81
+  760.4342 C35H62N5O13+ 8 760.4339 0.48
+  955.526 C46H71N10O12+ 1 955.5247 1.28
+  973.5342 C46H73N10O13+ 1 973.5353 -1.14
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  108.1717 390654.6 45
+  760.4342 1228115 141
+  955.526 1332171.6 153
+  973.5342 8650841 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC063903.txt b/Eawag/MSBNK-EAWAG-EC063903.txt
new file mode 100644
index 0000000000..2f734a2060
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC063903.txt
@@ -0,0 +1,54 @@
+ACCESSION: MSBNK-EAWAG-EC063903
+RECORD_TITLE: Cyanopeptolin 972; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.aquatox.2023.106689
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 638
+CH$NAME: Cyanopeptolin 972
+CH$NAME: 5-[[15-[3-(diaminomethylideneamino)propyl]-21-hydroxy-5-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-2-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-5-oxo-4-(pentanoylamino)pentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C46H72N10O13
+CH$EXACT_MASS: 972.5280324
+CH$SMILES: O=C(NC(CCCNC(N)=N)C(NC1C(N(C(C(N(C(C(NC2C(C)C)=O)CC3=CC=C(O)C=C3)C)=O)CC(C)C)C(O)CC1)=O)=O)C(C(OC2=O)C)NC(C(CCC(O)=O)NC(CCCC)=O)=O
+CH$IUPAC: InChI=1S/C46H72N10O13/c1-8-9-12-34(58)50-30(18-20-36(60)61)40(63)54-38-26(6)69-45(68)37(25(4)5)53-41(64)32(23-27-13-15-28(57)16-14-27)55(7)44(67)33(22-24(2)3)56-35(59)19-17-31(43(56)66)52-39(62)29(51-42(38)65)11-10-21-49-46(47)48/h13-16,24-26,29-33,35,37-38,57,59H,8-12,17-23H2,1-7H3,(H,50,58)(H,51,65)(H,52,62)(H,53,64)(H,54,63)(H,60,61)(H4,47,48,49)
+CH$LINK: PUBCHEM CID:155802244
+CH$LINK: INCHIKEY OHHAWMYRUPJTKQ-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1014
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.208 min
+MS$FOCUSED_ION: BASE_PEAK 973.5326
+MS$FOCUSED_ION: PRECURSOR_M/Z 973.5353
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-074i-0000000409-fe9fe217b0c89815ee13
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  108.1716 C3H24O3+ 1 108.172 -3.94
+  150.0907 C7H10N4+ 2 150.09 4.35
+  209.127 C9H15N5O+ 1 209.1271 -0.47
+  760.4333 C35H62N5O13+ 6 760.4339 -0.8
+  955.5243 C46H71N10O12+ 1 955.5247 -0.51
+  973.5333 C46H73N10O13+ 1 973.5353 -2.08
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  108.1716 125108.2 38
+  150.0907 116738.2 35
+  209.127 90879.1 27
+  760.4333 2259605.5 693
+  955.5243 1797528.8 551
+  973.5333 3254748.8 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC063904.txt b/Eawag/MSBNK-EAWAG-EC063904.txt
new file mode 100644
index 0000000000..62fc1c22db
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC063904.txt
@@ -0,0 +1,66 @@
+ACCESSION: MSBNK-EAWAG-EC063904
+RECORD_TITLE: Cyanopeptolin 972; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.aquatox.2023.106689
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 638
+CH$NAME: Cyanopeptolin 972
+CH$NAME: 5-[[15-[3-(diaminomethylideneamino)propyl]-21-hydroxy-5-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-2-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-5-oxo-4-(pentanoylamino)pentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C46H72N10O13
+CH$EXACT_MASS: 972.5280324
+CH$SMILES: O=C(NC(CCCNC(N)=N)C(NC1C(N(C(C(N(C(C(NC2C(C)C)=O)CC3=CC=C(O)C=C3)C)=O)CC(C)C)C(O)CC1)=O)=O)C(C(OC2=O)C)NC(C(CCC(O)=O)NC(CCCC)=O)=O
+CH$IUPAC: InChI=1S/C46H72N10O13/c1-8-9-12-34(58)50-30(18-20-36(60)61)40(63)54-38-26(6)69-45(68)37(25(4)5)53-41(64)32(23-27-13-15-28(57)16-14-27)55(7)44(67)33(22-24(2)3)56-35(59)19-17-31(43(56)66)52-39(62)29(51-42(38)65)11-10-21-49-46(47)48/h13-16,24-26,29-33,35,37-38,57,59H,8-12,17-23H2,1-7H3,(H,50,58)(H,51,65)(H,52,62)(H,53,64)(H,54,63)(H,60,61)(H4,47,48,49)
+CH$LINK: PUBCHEM CID:155802244
+CH$LINK: INCHIKEY OHHAWMYRUPJTKQ-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1014
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.208 min
+MS$FOCUSED_ION: BASE_PEAK 973.5326
+MS$FOCUSED_ION: PRECURSOR_M/Z 973.5353
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0nti-0568000908-16ce5724b988a03fec8a
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  70.065 C4H8N+ 1 70.0651 -1.79
+  150.0907 C7H10N4+ 2 150.09 4.35
+  181.1323 C8H15N5+ 1 181.1322 0.72
+  209.1274 C9H15N5O+ 1 209.1271 1.21
+  214.1066 C8H14N4O3+ 2 214.106 2.64
+  223.1178 C9H19O6+ 2 223.1176 0.89
+  240.1454 C10H18N5O2+ 1 240.1455 -0.39
+  295.1647 C15H23N2O4+ 3 295.1652 -1.64
+  386.2064 C19H26N6O3+ 6 386.2061 0.89
+  760.434 C35H62N5O13+ 6 760.4339 0.24
+  955.5229 C46H71N10O12+ 1 955.5247 -1.98
+  973.5349 C46H73N10O13+ 1 973.5353 -0.39
+PK$NUM_PEAK: 12
+PK$PEAK: m/z int. rel.int.
+  70.065 112020.1 60
+  150.0907 932551.1 504
+  181.1323 268132.1 145
+  209.1274 652723.6 352
+  214.1066 74018.6 40
+  223.1178 225936.9 122
+  240.1454 140922.7 76
+  295.1647 149591.8 80
+  386.2064 1659926.9 897
+  760.434 1847274.5 999
+  955.5229 927510.5 501
+  973.5349 861582.3 465
+//
diff --git a/Eawag/MSBNK-EAWAG-EC063905.txt b/Eawag/MSBNK-EAWAG-EC063905.txt
new file mode 100644
index 0000000000..4e82dd81d0
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC063905.txt
@@ -0,0 +1,98 @@
+ACCESSION: MSBNK-EAWAG-EC063905
+RECORD_TITLE: Cyanopeptolin 972; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.aquatox.2023.106689
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 638
+CH$NAME: Cyanopeptolin 972
+CH$NAME: 5-[[15-[3-(diaminomethylideneamino)propyl]-21-hydroxy-5-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-2-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-5-oxo-4-(pentanoylamino)pentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C46H72N10O13
+CH$EXACT_MASS: 972.5280324
+CH$SMILES: O=C(NC(CCCNC(N)=N)C(NC1C(N(C(C(N(C(C(NC2C(C)C)=O)CC3=CC=C(O)C=C3)C)=O)CC(C)C)C(O)CC1)=O)=O)C(C(OC2=O)C)NC(C(CCC(O)=O)NC(CCCC)=O)=O
+CH$IUPAC: InChI=1S/C46H72N10O13/c1-8-9-12-34(58)50-30(18-20-36(60)61)40(63)54-38-26(6)69-45(68)37(25(4)5)53-41(64)32(23-27-13-15-28(57)16-14-27)55(7)44(67)33(22-24(2)3)56-35(59)19-17-31(43(56)66)52-39(62)29(51-42(38)65)11-10-21-49-46(47)48/h13-16,24-26,29-33,35,37-38,57,59H,8-12,17-23H2,1-7H3,(H,50,58)(H,51,65)(H,52,62)(H,53,64)(H,54,63)(H,60,61)(H4,47,48,49)
+CH$LINK: PUBCHEM CID:155802244
+CH$LINK: INCHIKEY OHHAWMYRUPJTKQ-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1014
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.208 min
+MS$FOCUSED_ION: BASE_PEAK 973.5326
+MS$FOCUSED_ION: PRECURSOR_M/Z 973.5353
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00e9-5961000000-19c0c415c5e4032313d6
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  68.0494 C4H6N+ 1 68.0495 -0.63
+  70.065 C4H8N+ 1 70.0651 -1.68
+  72.0808 C4H10N+ 1 72.0808 0.92
+  74.0601 C3H8NO+ 1 74.06 0.19
+  84.0445 C4H6NO+ 1 84.0444 0.98
+  84.0807 C5H10N+ 1 84.0808 -1.03
+  86.0963 C5H12N+ 1 86.0964 -1.07
+  88.0392 C3H6NO2+ 1 88.0393 -1.55
+  112.0866 C5H10N3+ 1 112.0869 -2.47
+  113.0706 C5H9N2O+ 1 113.0709 -2.95
+  115.0864 C5H11N2O+ 1 115.0866 -1.28
+  124.1122 C8H14N+ 1 124.1121 0.95
+  138.0658 C6H8N3O+ 1 138.0662 -2.9
+  153.138 C9H17N2+ 1 153.1386 -4.33
+  157.1082 C6H13N4O+ 1 157.1084 -1.47
+  178.0848 C8H10N4O+ 1 178.0849 -0.87
+  181.1326 C8H15N5+ 1 181.1322 1.98
+  192.1009 C9H12N4O+ 2 192.1006 2.01
+  195.1233 C8H19O5+ 3 195.1227 3.15
+  199.0701 C6H9N5O3+ 1 199.07 0.69
+  209.1272 C9H15N5O+ 1 209.1271 0.48
+  223.1178 C9H19O6+ 2 223.1176 0.76
+  257.1712 C9H25N2O6+ 3 257.1707 1.89
+  274.1425 H20N9O8+ 6 274.1429 -1.76
+  295.1647 C15H23N2O4+ 3 295.1652 -1.74
+  338.1455 C13H24NO9+ 4 338.1446 2.77
+  386.2066 C19H26N6O3+ 6 386.2061 1.21
+  453.2454 C20H33N6O6+ 7 453.2456 -0.51
+PK$NUM_PEAK: 28
+PK$PEAK: m/z int. rel.int.
+  68.0494 106584.6 53
+  70.065 1731618.1 864
+  72.0808 244357.7 122
+  74.0601 96201.4 48
+  84.0445 115765 57
+  84.0807 80345.4 40
+  86.0963 824630.9 411
+  88.0392 278069.1 138
+  112.0866 1031023.4 515
+  113.0706 535518.8 267
+  115.0864 293334.2 146
+  124.1122 69860 34
+  138.0658 471708.3 235
+  153.138 481275.6 240
+  157.1082 149651.1 74
+  178.0848 460066.2 229
+  181.1326 1999870.4 999
+  192.1009 108549.7 54
+  195.1233 132925.6 66
+  199.0701 230724.2 115
+  209.1272 1269899.6 634
+  223.1178 1055669.5 527
+  257.1712 178325.6 89
+  274.1425 928915.2 464
+  295.1647 640512.6 319
+  338.1455 428854.6 214
+  386.2066 682006.2 340
+  453.2454 488150.7 243
+//
diff --git a/Eawag/MSBNK-EAWAG-EC063906.txt b/Eawag/MSBNK-EAWAG-EC063906.txt
new file mode 100644
index 0000000000..036b85d4be
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC063906.txt
@@ -0,0 +1,146 @@
+ACCESSION: MSBNK-EAWAG-EC063906
+RECORD_TITLE: Cyanopeptolin 972; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.aquatox.2023.106689
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 638
+CH$NAME: Cyanopeptolin 972
+CH$NAME: 5-[[15-[3-(diaminomethylideneamino)propyl]-21-hydroxy-5-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-2-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-5-oxo-4-(pentanoylamino)pentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C46H72N10O13
+CH$EXACT_MASS: 972.5280324
+CH$SMILES: O=C(NC(CCCNC(N)=N)C(NC1C(N(C(C(N(C(C(NC2C(C)C)=O)CC3=CC=C(O)C=C3)C)=O)CC(C)C)C(O)CC1)=O)=O)C(C(OC2=O)C)NC(C(CCC(O)=O)NC(CCCC)=O)=O
+CH$IUPAC: InChI=1S/C46H72N10O13/c1-8-9-12-34(58)50-30(18-20-36(60)61)40(63)54-38-26(6)69-45(68)37(25(4)5)53-41(64)32(23-27-13-15-28(57)16-14-27)55(7)44(67)33(22-24(2)3)56-35(59)19-17-31(43(56)66)52-39(62)29(51-42(38)65)11-10-21-49-46(47)48/h13-16,24-26,29-33,35,37-38,57,59H,8-12,17-23H2,1-7H3,(H,50,58)(H,51,65)(H,52,62)(H,53,64)(H,54,63)(H,60,61)(H4,47,48,49)
+CH$LINK: PUBCHEM CID:155802244
+CH$LINK: INCHIKEY OHHAWMYRUPJTKQ-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1014
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.208 min
+MS$FOCUSED_ION: BASE_PEAK 973.5326
+MS$FOCUSED_ION: PRECURSOR_M/Z 973.5353
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00dr-8920000000-6d2f62175661994c991b
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  56.0495 C3H6N+ 1 56.0495 -0.08
+  60.0555 CH6N3+ 1 60.0556 -1.53
+  68.0494 C4H6N+ 1 68.0495 -1.64
+  69.0697 C5H9+ 1 69.0699 -2.07
+  70.065 C4H8N+ 1 70.0651 -1.36
+  72.0807 C4H10N+ 1 72.0808 -1.52
+  74.0599 C3H8NO+ 1 74.06 -2.38
+  80.0494 C5H6N+ 1 80.0495 -0.91
+  84.0442 C4H6NO+ 1 84.0444 -2.65
+  84.0805 C5H10N+ 1 84.0808 -3.21
+  86.0963 C5H12N+ 1 86.0964 -1.78
+  88.0392 C3H6NO2+ 1 88.0393 -0.94
+  95.0601 C5H7N2+ 1 95.0604 -2.97
+  96.0441 C5H6NO+ 1 96.0444 -3.53
+  97.076 C5H9N2+ 1 97.076 -0.42
+  101.0708 C4H9N2O+ 1 101.0709 -0.94
+  112.0867 C5H10N3+ 1 112.0869 -2.06
+  112.1117 C7H14N+ 1 112.1121 -2.92
+  113.0707 C5H9N2O+ 1 113.0709 -2.27
+  114.0546 C5H8NO2+ 1 114.055 -3.22
+  114.1022 C5H12N3+ 1 114.1026 -2.85
+  115.086 C5H11N2O+ 1 115.0866 -4.73
+  121.0649 C8H9O+ 1 121.0648 0.58
+  124.112 C8H14N+ 1 124.1121 -0.96
+  125.0705 C6H9N2O+ 1 125.0709 -3.89
+  136.1116 C9H14N+ 1 136.1121 -3.27
+  138.0659 C6H8N3O+ 1 138.0662 -1.8
+  138.0905 C6H10N4+ 1 138.09 3.57
+  140.0815 C6H10N3O+ 1 140.0818 -2.23
+  141.1019 C7H13N2O+ 1 141.1022 -2.45
+  149.0703 C8H9N2O+ 2 149.0709 -4.57
+  153.0653 C7H9N2O2+ 1 153.0659 -3.72
+  153.1382 C9H17N2+ 1 153.1386 -2.74
+  157.1077 C6H13N4O+ 3 157.1084 -4.09
+  162.102 C9H12N3+ 1 162.1026 -3.64
+  164.1065 C10H14NO+ 2 164.107 -3.27
+  171.0757 C5H9N5O2+ 2 171.0751 3.51
+  178.0841 C8H10N4O+ 3 178.0849 -4.72
+  181.1325 C8H15N5+ 1 181.1322 1.9
+  199.0705 C6H9N5O3+ 2 199.07 2.53
+  206.1408 C12H18N2O+ 2 206.1414 -2.66
+  208.107 C8H12N6O+ 1 208.1067 1.45
+  214.1063 C8H14N4O3+ 1 214.106 1
+  216.0966 C6H12N6O3+ 1 216.0965 0.41
+  223.1182 C9H19O6+ 3 223.1176 2.46
+  241.1287 C9H21O7+ 3 241.1282 2
+  251.1121 C8H17N3O6+ 4 251.1112 3.6
+  257.1711 C9H25N2O6+ 3 257.1707 1.41
+  274.1427 H20N9O8+ 4 274.1429 -0.87
+  295.1652 C15H23N2O4+ 4 295.1652 0.01
+  338.1458 C13H24NO9+ 6 338.1446 3.67
+  453.2458 C20H33N6O6+ 7 453.2456 0.43
+PK$NUM_PEAK: 52
+PK$PEAK: m/z int. rel.int.
+  56.0495 90590.5 21
+  60.0555 111181.4 25
+  68.0494 532896.1 123
+  69.0697 150864.4 35
+  70.065 4295287 999
+  72.0807 600179.3 139
+  74.0599 340811.3 79
+  80.0494 84726.4 19
+  84.0442 262520.4 61
+  84.0805 117267.4 27
+  86.0963 1832604.6 426
+  88.0392 1068578.9 248
+  95.0601 181058.8 42
+  96.0441 80402.7 18
+  97.076 87553.5 20
+  101.0708 121087.1 28
+  112.0867 1369615.6 318
+  112.1117 262398.3 61
+  113.0707 1210738.4 281
+  114.0546 134937.4 31
+  114.1022 119962.6 27
+  115.086 562338.6 130
+  121.0649 217335.9 50
+  124.112 350612.5 81
+  125.0705 96134.1 22
+  136.1116 757038.8 176
+  138.0659 672210.2 156
+  138.0905 93948.7 21
+  140.0815 153323.7 35
+  141.1019 127925.5 29
+  149.0703 140572.3 32
+  153.0653 284006.7 66
+  153.1382 648639.2 150
+  157.1077 189546.5 44
+  162.102 167709.1 39
+  164.1065 136045.7 31
+  171.0757 88690.5 20
+  178.0841 601003.6 139
+  181.1325 1848470 429
+  199.0705 521409.4 121
+  206.1408 132177.1 30
+  208.107 131129.4 30
+  214.1063 219167.5 50
+  216.0966 158183.7 36
+  223.1182 920297.4 214
+  241.1287 482369.1 112
+  251.1121 198828.6 46
+  257.1711 100694.5 23
+  274.1427 880918.2 204
+  295.1652 171502.5 39
+  338.1458 439944.9 102
+  453.2458 75411.4 17
+//
diff --git a/Eawag/MSBNK-EAWAG-EC063907.txt b/Eawag/MSBNK-EAWAG-EC063907.txt
new file mode 100644
index 0000000000..266716da60
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC063907.txt
@@ -0,0 +1,168 @@
+ACCESSION: MSBNK-EAWAG-EC063907
+RECORD_TITLE: Cyanopeptolin 972; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.aquatox.2023.106689
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 638
+CH$NAME: Cyanopeptolin 972
+CH$NAME: 5-[[15-[3-(diaminomethylideneamino)propyl]-21-hydroxy-5-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-2-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-5-oxo-4-(pentanoylamino)pentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C46H72N10O13
+CH$EXACT_MASS: 972.5280324
+CH$SMILES: O=C(NC(CCCNC(N)=N)C(NC1C(N(C(C(N(C(C(NC2C(C)C)=O)CC3=CC=C(O)C=C3)C)=O)CC(C)C)C(O)CC1)=O)=O)C(C(OC2=O)C)NC(C(CCC(O)=O)NC(CCCC)=O)=O
+CH$IUPAC: InChI=1S/C46H72N10O13/c1-8-9-12-34(58)50-30(18-20-36(60)61)40(63)54-38-26(6)69-45(68)37(25(4)5)53-41(64)32(23-27-13-15-28(57)16-14-27)55(7)44(67)33(22-24(2)3)56-35(59)19-17-31(43(56)66)52-39(62)29(51-42(38)65)11-10-21-49-46(47)48/h13-16,24-26,29-33,35,37-38,57,59H,8-12,17-23H2,1-7H3,(H,50,58)(H,51,65)(H,52,62)(H,53,64)(H,54,63)(H,60,61)(H4,47,48,49)
+CH$LINK: PUBCHEM CID:155802244
+CH$LINK: INCHIKEY OHHAWMYRUPJTKQ-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1014
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.208 min
+MS$FOCUSED_ION: BASE_PEAK 973.5326
+MS$FOCUSED_ION: PRECURSOR_M/Z 973.5353
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00dr-9600000000-872c2941a4a92f364885
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  55.0541 C4H7+ 1 55.0542 -1.91
+  56.0494 C3H6N+ 1 56.0495 -0.63
+  58.0649 C3H8N+ 1 58.0651 -4.4
+  60.0555 CH6N3+ 1 60.0556 -2.04
+  68.0494 C4H6N+ 1 68.0495 -1.64
+  69.0335 C4H5O+ 1 69.0335 -0.08
+  69.0698 C5H9+ 1 69.0699 -1.52
+  70.065 C4H8N+ 1 70.0651 -1.25
+  71.0855 C5H11+ 1 71.0855 0.07
+  72.0807 C4H10N+ 1 72.0808 -1.3
+  74.06 C3H8NO+ 1 74.06 -1.15
+  80.0494 C5H6N+ 1 80.0495 -0.62
+  84.0443 C4H6NO+ 1 84.0444 -1.66
+  84.0806 C5H10N+ 1 84.0808 -1.66
+  85.0758 C4H9N2+ 1 85.076 -3.08
+  86.0963 C5H12N+ 1 86.0964 -1.6
+  88.0391 C3H6NO2+ 1 88.0393 -1.98
+  91.0541 C7H7+ 1 91.0542 -1.19
+  95.0602 C5H7N2+ 1 95.0604 -1.85
+  96.0442 C5H6NO+ 1 96.0444 -2.26
+  97.076 C5H9N2+ 1 97.076 -0.35
+  98.0598 C5H8NO+ 1 98.06 -2.02
+  99.0805 C6H11O+ 1 99.0804 0.16
+  101.0707 C4H9N2O+ 1 101.0709 -2.75
+  107.0491 C7H7O+ 1 107.0491 -0.49
+  111.055 C5H7N2O+ 1 111.0553 -2.61
+  112.0866 C5H10N3+ 1 112.0869 -2.47
+  112.1117 C7H14N+ 1 112.1121 -3.13
+  113.0706 C5H9N2O+ 1 113.0709 -2.61
+  114.055 C5H8NO2+ 1 114.055 0.26
+  114.1022 C5H12N3+ 1 114.1026 -3.51
+  115.0863 C5H11N2O+ 1 115.0866 -2.28
+  119.0487 C8H7O+ 1 119.0491 -3.71
+  121.0647 C8H9O+ 1 121.0648 -1
+  124.1115 C8H14N+ 1 124.1121 -4.59
+  125.0707 C6H9N2O+ 1 125.0709 -2.18
+  129.0653 C5H9N2O2+ 1 129.0659 -4.15
+  135.0672 C6H7N4+ 1 135.0665 4.8
+  136.1117 C9H14N+ 1 136.1121 -3.05
+  138.054 C5H6N4O+ 1 138.0536 2.53
+  138.0658 C6H8N3O+ 1 138.0662 -2.57
+  138.0907 C6H10N4+ 2 138.09 4.9
+  140.0813 C6H10N3O+ 1 140.0818 -3.86
+  141.0653 C6H9N2O2+ 1 141.0659 -3.58
+  141.102 C7H13N2O+ 1 141.1022 -1.91
+  149.0705 C8H9N2O+ 1 149.0709 -3.14
+  153.0652 C7H9N2O2+ 2 153.0659 -4.52
+  153.1015 C8H13N2O+ 2 153.1022 -4.68
+  164.0688 C7H8N4O+ 1 164.0693 -3.03
+  164.1063 C8H12N4+ 2 164.1056 3.98
+  170.0916 C5H10N6O+ 2 170.0911 2.99
+  171.0751 C5H9N5O2+ 1 171.0751 0.3
+  174.09 C9H10N4+ 1 174.09 -0.13
+  178.0848 C8H10N4O+ 1 178.0849 -0.61
+  180.1123 C7H12N6+ 2 180.1118 2.85
+  181.1324 C8H15N5+ 1 181.1322 1.31
+  199.0706 C6H9N5O3+ 2 199.07 3.22
+  207.1479 C10H17N5+ 1 207.1478 0.44
+  214.106 C8H14N4O3+ 1 214.106 0
+  216.0966 C6H12N6O3+ 1 216.0965 0.2
+  223.1178 C9H19O6+ 2 223.1176 0.76
+  241.1286 C9H21O7+ 3 241.1282 1.75
+  251.112 C8H17N3O6+ 4 251.1112 3.36
+PK$NUM_PEAK: 63
+PK$PEAK: m/z int. rel.int.
+  55.0541 106568.6 15
+  56.0494 517362.3 75
+  58.0649 102112.3 14
+  60.0555 136738.2 20
+  68.0494 1377216 202
+  69.0335 222370.7 32
+  69.0698 356290.1 52
+  70.065 6802978 999
+  71.0855 164175.8 24
+  72.0807 716888.6 105
+  74.06 624962.4 91
+  80.0494 233566.3 34
+  84.0443 472020.9 69
+  84.0806 199860.8 29
+  85.0758 257283 37
+  86.0963 2253015.8 330
+  88.0391 1866159.6 274
+  91.0541 113557.4 16
+  95.0602 441737.8 64
+  96.0442 192045.5 28
+  97.076 186551.5 27
+  98.0598 119939 17
+  99.0805 106651 15
+  101.0707 171481.1 25
+  107.0491 162756.9 23
+  111.055 225668.4 33
+  112.0866 1352409.8 198
+  112.1117 293860.7 43
+  113.0706 1507608.1 221
+  114.055 244751.2 35
+  114.1022 140893.7 20
+  115.0863 780557.2 114
+  119.0487 207133 30
+  121.0647 495852.1 72
+  124.1115 453129 66
+  125.0707 254775.7 37
+  129.0653 147086.7 21
+  135.0672 129655.8 19
+  136.1117 975603.4 143
+  138.054 86599.7 12
+  138.0658 685167.9 100
+  138.0907 127654.5 18
+  140.0813 258161.9 37
+  141.0653 165809.2 24
+  141.102 229186 33
+  149.0705 307148.7 45
+  153.0652 500918.4 73
+  153.1015 231718.7 34
+  164.0688 90086.5 13
+  164.1063 156813.4 23
+  170.0916 118521.3 17
+  171.0751 145977.9 21
+  174.09 108775.3 15
+  178.0848 195274.3 28
+  180.1123 171330.3 25
+  181.1324 856300.5 125
+  199.0706 481942 70
+  207.1479 101869.9 14
+  214.106 95924.3 14
+  216.0966 174434.4 25
+  223.1178 450580.7 66
+  241.1286 198845.8 29
+  251.112 126397.7 18
+//
diff --git a/Eawag/MSBNK-EAWAG-EC063908.txt b/Eawag/MSBNK-EAWAG-EC063908.txt
new file mode 100644
index 0000000000..79ac6e7fbb
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC063908.txt
@@ -0,0 +1,156 @@
+ACCESSION: MSBNK-EAWAG-EC063908
+RECORD_TITLE: Cyanopeptolin 972; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.aquatox.2023.106689
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 638
+CH$NAME: Cyanopeptolin 972
+CH$NAME: 5-[[15-[3-(diaminomethylideneamino)propyl]-21-hydroxy-5-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-2-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-5-oxo-4-(pentanoylamino)pentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C46H72N10O13
+CH$EXACT_MASS: 972.5280324
+CH$SMILES: O=C(NC(CCCNC(N)=N)C(NC1C(N(C(C(N(C(C(NC2C(C)C)=O)CC3=CC=C(O)C=C3)C)=O)CC(C)C)C(O)CC1)=O)=O)C(C(OC2=O)C)NC(C(CCC(O)=O)NC(CCCC)=O)=O
+CH$IUPAC: InChI=1S/C46H72N10O13/c1-8-9-12-34(58)50-30(18-20-36(60)61)40(63)54-38-26(6)69-45(68)37(25(4)5)53-41(64)32(23-27-13-15-28(57)16-14-27)55(7)44(67)33(22-24(2)3)56-35(59)19-17-31(43(56)66)52-39(62)29(51-42(38)65)11-10-21-49-46(47)48/h13-16,24-26,29-33,35,37-38,57,59H,8-12,17-23H2,1-7H3,(H,50,58)(H,51,65)(H,52,62)(H,53,64)(H,54,63)(H,60,61)(H4,47,48,49)
+CH$LINK: PUBCHEM CID:155802244
+CH$LINK: INCHIKEY OHHAWMYRUPJTKQ-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1014
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.208 min
+MS$FOCUSED_ION: BASE_PEAK 973.5326
+MS$FOCUSED_ION: PRECURSOR_M/Z 973.5353
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0fki-9600000000-4fd34ac2c628bf03885b
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  55.0541 C4H7+ 1 55.0542 -2.4
+  56.0494 C3H6N+ 1 56.0495 -1.58
+  58.065 C3H8N+ 1 58.0651 -1.44
+  60.0555 CH6N3+ 1 60.0556 -2.16
+  68.0494 C4H6N+ 1 68.0495 -1.64
+  69.0334 C4H5O+ 1 69.0335 -1.62
+  69.0697 C5H9+ 1 69.0699 -2.52
+  70.065 C4H8N+ 1 70.0651 -1.68
+  71.0855 C5H11+ 1 71.0855 -1
+  72.0807 C4H10N+ 1 72.0808 -1.52
+  74.06 C3H8NO+ 1 74.06 -1.15
+  80.0493 C5H6N+ 1 80.0495 -1.96
+  82.0649 C5H8N+ 1 82.0651 -2.35
+  83.0602 C4H7N2+ 1 83.0604 -1.83
+  84.0442 C4H6NO+ 1 84.0444 -2.47
+  84.0805 C5H10N+ 1 84.0808 -3.03
+  85.0757 C4H9N2+ 1 85.076 -3.97
+  86.0598 C4H8NO+ 1 86.06 -2.92
+  86.0963 C5H12N+ 1 86.0964 -1.96
+  88.0391 C3H6NO2+ 1 88.0393 -1.81
+  91.0541 C7H7+ 1 91.0542 -1.36
+  94.0649 C6H8N+ 1 94.0651 -2.48
+  95.0602 C5H7N2+ 1 95.0604 -1.77
+  96.0442 C5H6NO+ 1 96.0444 -1.54
+  97.0759 C5H9N2+ 1 97.076 -1.37
+  98.0598 C5H8NO+ 1 98.06 -2.1
+  101.0709 C4H9N2O+ 1 101.0709 -0.79
+  107.0487 C7H7O+ 1 107.0491 -4.34
+  110.0599 C6H8NO+ 1 110.06 -0.95
+  111.0551 C5H7N2O+ 1 111.0553 -1.79
+  112.0392 C5H6NO2+ 1 112.0393 -0.66
+  112.0867 C5H10N3+ 1 112.0869 -1.99
+  112.1122 C7H14N+ 1 112.1121 1.02
+  113.0706 C5H9N2O+ 1 113.0709 -2.95
+  114.0548 C5H8NO2+ 1 114.055 -1.21
+  115.0863 C5H11N2O+ 1 115.0866 -2.87
+  121.0644 C8H9O+ 1 121.0648 -3.08
+  124.1115 C8H14N+ 1 124.1121 -4.46
+  125.0705 C6H9N2O+ 1 125.0709 -3.28
+  129.0655 C5H9N2O2+ 1 129.0659 -3.08
+  135.0669 C6H7N4+ 1 135.0665 2.77
+  136.0392 C7H6NO2+ 1 136.0393 -0.79
+  136.1114 C9H14N+ 1 136.1121 -4.84
+  138.0541 C5H6N4O+ 1 138.0536 3.42
+  138.0658 C6H8N3O+ 1 138.0662 -2.46
+  140.0813 C6H10N3O+ 1 140.0818 -3.64
+  141.0655 C6H9N2O2+ 1 141.0659 -2.82
+  141.1016 C7H13N2O+ 2 141.1022 -4.72
+  148.0754 C9H10NO+ 1 148.0757 -1.71
+  149.0702 C8H9N2O+ 2 149.0709 -4.98
+  150.0906 C7H10N4+ 2 150.09 3.95
+  153.0655 C7H9N2O2+ 1 153.0659 -2.63
+  153.1017 C8H13N2O+ 1 153.1022 -3.38
+  162.102 C9H12N3+ 1 162.1026 -3.64
+  165.1012 C7H11N5+ 1 165.1009 1.81
+  174.0901 C9H10N4+ 1 174.09 0.39
+  180.1119 C7H12N6+ 1 180.1118 0.65
+PK$NUM_PEAK: 57
+PK$PEAK: m/z int. rel.int.
+  55.0541 179088.8 21
+  56.0494 704925 85
+  58.065 113220.9 13
+  60.0555 138965.7 16
+  68.0494 2079586.5 252
+  69.0334 235955.6 28
+  69.0697 515374.4 62
+  70.065 8235970 999
+  71.0855 285538.6 34
+  72.0807 742391.1 90
+  74.06 608531.2 73
+  80.0493 484639.5 58
+  82.0649 171705 20
+  83.0602 149048.7 18
+  84.0442 576634.1 69
+  84.0805 287532.7 34
+  85.0757 367904.6 44
+  86.0598 187897.5 22
+  86.0963 1921401.8 233
+  88.0391 2144931.2 260
+  91.0541 381753.6 46
+  94.0649 103694.7 12
+  95.0602 815496.8 98
+  96.0442 173368 21
+  97.0759 252874.4 30
+  98.0598 244899.7 29
+  101.0709 151724.7 18
+  107.0487 329476.8 39
+  110.0599 149506.8 18
+  111.0551 398123.8 48
+  112.0392 106762.9 12
+  112.0867 1134631.6 137
+  112.1122 123270.3 14
+  113.0706 938615.1 113
+  114.0548 281583 34
+  115.0863 631861.4 76
+  121.0644 663088 80
+  124.1115 428045.3 51
+  125.0705 435965.7 52
+  129.0655 160360.9 19
+  135.0669 359028 43
+  136.0392 145961.5 17
+  136.1114 850746.1 103
+  138.0541 113535.3 13
+  138.0658 428855.5 52
+  140.0813 156273.4 18
+  141.0655 128867.7 15
+  141.1016 188721.1 22
+  148.0754 88733.5 10
+  149.0702 408166.3 49
+  150.0906 5611432 680
+  153.0655 412413.9 50
+  153.1017 201956.5 24
+  162.102 179634.3 21
+  165.1012 131024 15
+  174.0901 85773.1 10
+  180.1119 86328.4 10
+//
diff --git a/Eawag/MSBNK-EAWAG-EC063909.txt b/Eawag/MSBNK-EAWAG-EC063909.txt
new file mode 100644
index 0000000000..434cebce92
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC063909.txt
@@ -0,0 +1,132 @@
+ACCESSION: MSBNK-EAWAG-EC063909
+RECORD_TITLE: Cyanopeptolin 972; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.aquatox.2023.106689
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 638
+CH$NAME: Cyanopeptolin 972
+CH$NAME: 5-[[15-[3-(diaminomethylideneamino)propyl]-21-hydroxy-5-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-2-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-5-oxo-4-(pentanoylamino)pentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C46H72N10O13
+CH$EXACT_MASS: 972.5280324
+CH$SMILES: O=C(NC(CCCNC(N)=N)C(NC1C(N(C(C(N(C(C(NC2C(C)C)=O)CC3=CC=C(O)C=C3)C)=O)CC(C)C)C(O)CC1)=O)=O)C(C(OC2=O)C)NC(C(CCC(O)=O)NC(CCCC)=O)=O
+CH$IUPAC: InChI=1S/C46H72N10O13/c1-8-9-12-34(58)50-30(18-20-36(60)61)40(63)54-38-26(6)69-45(68)37(25(4)5)53-41(64)32(23-27-13-15-28(57)16-14-27)55(7)44(67)33(22-24(2)3)56-35(59)19-17-31(43(56)66)52-39(62)29(51-42(38)65)11-10-21-49-46(47)48/h13-16,24-26,29-33,35,37-38,57,59H,8-12,17-23H2,1-7H3,(H,50,58)(H,51,65)(H,52,62)(H,53,64)(H,54,63)(H,60,61)(H4,47,48,49)
+CH$LINK: PUBCHEM CID:155802244
+CH$LINK: INCHIKEY OHHAWMYRUPJTKQ-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1014
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.208 min
+MS$FOCUSED_ION: BASE_PEAK 973.5326
+MS$FOCUSED_ION: PRECURSOR_M/Z 973.5353
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00di-9400000000-0ff67d242fbdf6a1c42b
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  55.0541 C4H7+ 1 55.0542 -2.33
+  56.0494 C3H6N+ 1 56.0495 -1.04
+  58.0651 C3H8N+ 1 58.0651 -0.98
+  68.0494 C4H6N+ 1 68.0495 -1.3
+  69.0334 C4H5O+ 1 69.0335 -1.73
+  69.0697 C5H9+ 1 69.0699 -1.96
+  70.065 C4H8N+ 1 70.0651 -1.25
+  71.0853 C5H11+ 1 71.0855 -2.61
+  72.0807 C4H10N+ 1 72.0808 -1.09
+  74.0599 C3H8NO+ 1 74.06 -1.97
+  80.0493 C5H6N+ 1 80.0495 -1.77
+  82.0651 C5H8N+ 1 82.0651 -0.03
+  83.0603 C4H7N2+ 1 83.0604 -1.46
+  84.0442 C4H6NO+ 1 84.0444 -1.93
+  85.0757 C4H9N2+ 1 85.076 -3.97
+  86.06 C4H8NO+ 1 86.06 0.09
+  86.0963 C5H12N+ 1 86.0964 -1.69
+  88.0392 C3H6NO2+ 1 88.0393 -1.64
+  91.054 C7H7+ 1 91.0542 -2.62
+  94.0651 C6H8N+ 1 94.0651 -0.78
+  95.0602 C5H7N2+ 1 95.0604 -2.25
+  96.0444 C5H6NO+ 1 96.0444 0.28
+  97.0759 C5H9N2+ 1 97.076 -0.9
+  98.06 C5H8NO+ 1 98.06 -0.54
+  101.0709 C4H9N2O+ 1 101.0709 -0.11
+  107.0489 C7H7O+ 1 107.0491 -1.92
+  110.0601 C6H8NO+ 1 110.06 0.36
+  111.0551 C5H7N2O+ 1 111.0553 -1.86
+  112.0389 C5H6NO2+ 1 112.0393 -3.25
+  112.0867 C5H10N3+ 1 112.0869 -2.33
+  113.0706 C5H9N2O+ 1 113.0709 -3.02
+  114.0546 C5H8NO2+ 1 114.055 -2.68
+  115.0863 C5H11N2O+ 1 115.0866 -2.54
+  119.049 C8H7O+ 1 119.0491 -1.14
+  121.0646 C8H9O+ 1 121.0648 -1.63
+  125.0704 C6H9N2O+ 1 125.0709 -4.13
+  136.0389 C7H6NO2+ 1 136.0393 -3.26
+  136.1116 C9H14N+ 1 136.1121 -3.39
+  140.0814 C6H10N3O+ 1 140.0818 -3.43
+  141.0657 C6H9N2O2+ 1 141.0659 -0.98
+  141.1021 C7H13N2O+ 1 141.1022 -1.15
+  149.0705 C8H9N2O+ 1 149.0709 -2.94
+  150.0906 C7H10N4+ 2 150.09 4.25
+  153.0652 C7H9N2O2+ 2 153.0659 -4.52
+  153.1017 C8H13N2O+ 2 153.1022 -3.78
+PK$NUM_PEAK: 45
+PK$PEAK: m/z int. rel.int.
+  55.0541 120341.9 14
+  56.0494 807249.5 97
+  58.0651 171125.2 20
+  68.0494 2380592.5 288
+  69.0334 275005.7 33
+  69.0697 602865.6 73
+  70.065 8233144.5 999
+  71.0853 152148.7 18
+  72.0807 697046.2 84
+  74.0599 517879.5 62
+  80.0493 573973.3 69
+  82.0651 258502.1 31
+  83.0603 160972 19
+  84.0442 569889.4 69
+  85.0757 282714.9 34
+  86.06 129725.4 15
+  86.0963 1152914.5 139
+  88.0392 1768213.6 214
+  91.054 626462.4 76
+  94.0651 178435.2 21
+  95.0602 784147.9 95
+  96.0444 262898.8 31
+  97.0759 315198.5 38
+  98.06 232896.1 28
+  101.0709 178814.9 21
+  107.0489 451314.6 54
+  110.0601 161660.6 19
+  111.0551 355084.3 43
+  112.0389 120745.7 14
+  112.0867 756829.3 91
+  113.0706 449764.6 54
+  114.0546 253911.5 30
+  115.0863 531899.8 64
+  119.049 413908.4 50
+  121.0646 648615 78
+  125.0704 426096.3 51
+  136.0389 142825.4 17
+  136.1116 544786.6 66
+  140.0814 142955.8 17
+  141.0657 137554.8 16
+  141.1021 93681 11
+  149.0705 449051.9 54
+  150.0906 3381722.2 410
+  153.0652 189823.3 23
+  153.1017 139673 16
+//
diff --git a/Eawag/MSBNK-EAWAG-EC063951.txt b/Eawag/MSBNK-EAWAG-EC063951.txt
new file mode 100644
index 0000000000..14a416daf0
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC063951.txt
@@ -0,0 +1,50 @@
+ACCESSION: MSBNK-EAWAG-EC063951
+RECORD_TITLE: Cyanopeptolin 972; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.aquatox.2023.106689
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 638
+CH$NAME: Cyanopeptolin 972
+CH$NAME: 5-[[15-[3-(diaminomethylideneamino)propyl]-21-hydroxy-5-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-2-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-5-oxo-4-(pentanoylamino)pentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C46H72N10O13
+CH$EXACT_MASS: 972.5280324
+CH$SMILES: O=C(NC(CCCNC(N)=N)C(NC1C(N(C(C(N(C(C(NC2C(C)C)=O)CC3=CC=C(O)C=C3)C)=O)CC(C)C)C(O)CC1)=O)=O)C(C(OC2=O)C)NC(C(CCC(O)=O)NC(CCCC)=O)=O
+CH$IUPAC: InChI=1S/C46H72N10O13/c1-8-9-12-34(58)50-30(18-20-36(60)61)40(63)54-38-26(6)69-45(68)37(25(4)5)53-41(64)32(23-27-13-15-28(57)16-14-27)55(7)44(67)33(22-24(2)3)56-35(59)19-17-31(43(56)66)52-39(62)29(51-42(38)65)11-10-21-49-46(47)48/h13-16,24-26,29-33,35,37-38,57,59H,8-12,17-23H2,1-7H3,(H,50,58)(H,51,65)(H,52,62)(H,53,64)(H,54,63)(H,60,61)(H4,47,48,49)
+CH$LINK: PUBCHEM CID:155802244
+CH$LINK: INCHIKEY OHHAWMYRUPJTKQ-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1012
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.195 min
+MS$FOCUSED_ION: BASE_PEAK 971.5206
+MS$FOCUSED_ION: PRECURSOR_M/Z 971.5208
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00di-0000000009-715fc2b2da454fb45d62
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  664.3792 C46H50NO3- 11 664.3796 -0.58
+  838.4103 C40H56N9O11- 4 838.4105 -0.26
+  953.5106 C46H69N10O12- 1 953.5102 0.48
+  971.5205 C46H71N10O13- 1 971.5208 -0.27
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  664.3792 72039.2 12
+  838.4103 147935.2 25
+  953.5106 273765.1 48
+  971.5205 5691304.5 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC063952.txt b/Eawag/MSBNK-EAWAG-EC063952.txt
new file mode 100644
index 0000000000..1ef515971e
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC063952.txt
@@ -0,0 +1,52 @@
+ACCESSION: MSBNK-EAWAG-EC063952
+RECORD_TITLE: Cyanopeptolin 972; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.aquatox.2023.106689
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 638
+CH$NAME: Cyanopeptolin 972
+CH$NAME: 5-[[15-[3-(diaminomethylideneamino)propyl]-21-hydroxy-5-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-2-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-5-oxo-4-(pentanoylamino)pentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C46H72N10O13
+CH$EXACT_MASS: 972.5280324
+CH$SMILES: O=C(NC(CCCNC(N)=N)C(NC1C(N(C(C(N(C(C(NC2C(C)C)=O)CC3=CC=C(O)C=C3)C)=O)CC(C)C)C(O)CC1)=O)=O)C(C(OC2=O)C)NC(C(CCC(O)=O)NC(CCCC)=O)=O
+CH$IUPAC: InChI=1S/C46H72N10O13/c1-8-9-12-34(58)50-30(18-20-36(60)61)40(63)54-38-26(6)69-45(68)37(25(4)5)53-41(64)32(23-27-13-15-28(57)16-14-27)55(7)44(67)33(22-24(2)3)56-35(59)19-17-31(43(56)66)52-39(62)29(51-42(38)65)11-10-21-49-46(47)48/h13-16,24-26,29-33,35,37-38,57,59H,8-12,17-23H2,1-7H3,(H,50,58)(H,51,65)(H,52,62)(H,53,64)(H,54,63)(H,60,61)(H4,47,48,49)
+CH$LINK: PUBCHEM CID:155802244
+CH$LINK: INCHIKEY OHHAWMYRUPJTKQ-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1012
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.195 min
+MS$FOCUSED_ION: BASE_PEAK 971.5206
+MS$FOCUSED_ION: PRECURSOR_M/Z 971.5208
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00di-0000000019-a24f8b2f8a0a9cfa08d3
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  664.3795 C46H50NO3- 10 664.3796 -0.21
+  750.3934 C36H56N5O12- 8 750.3931 0.38
+  838.4101 C40H56N9O11- 4 838.4105 -0.47
+  953.5099 C46H69N10O12- 1 953.5102 -0.29
+  971.5204 C46H71N10O13- 1 971.5208 -0.4
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  664.3795 300763.8 105
+  750.3934 216979.3 76
+  838.4101 569542.4 200
+  953.5099 1072511.2 376
+  971.5204 2843077 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC063953.txt b/Eawag/MSBNK-EAWAG-EC063953.txt
new file mode 100644
index 0000000000..bcd65f0415
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC063953.txt
@@ -0,0 +1,56 @@
+ACCESSION: MSBNK-EAWAG-EC063953
+RECORD_TITLE: Cyanopeptolin 972; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.aquatox.2023.106689
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 638
+CH$NAME: Cyanopeptolin 972
+CH$NAME: 5-[[15-[3-(diaminomethylideneamino)propyl]-21-hydroxy-5-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-2-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-5-oxo-4-(pentanoylamino)pentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C46H72N10O13
+CH$EXACT_MASS: 972.5280324
+CH$SMILES: O=C(NC(CCCNC(N)=N)C(NC1C(N(C(C(N(C(C(NC2C(C)C)=O)CC3=CC=C(O)C=C3)C)=O)CC(C)C)C(O)CC1)=O)=O)C(C(OC2=O)C)NC(C(CCC(O)=O)NC(CCCC)=O)=O
+CH$IUPAC: InChI=1S/C46H72N10O13/c1-8-9-12-34(58)50-30(18-20-36(60)61)40(63)54-38-26(6)69-45(68)37(25(4)5)53-41(64)32(23-27-13-15-28(57)16-14-27)55(7)44(67)33(22-24(2)3)56-35(59)19-17-31(43(56)66)52-39(62)29(51-42(38)65)11-10-21-49-46(47)48/h13-16,24-26,29-33,35,37-38,57,59H,8-12,17-23H2,1-7H3,(H,50,58)(H,51,65)(H,52,62)(H,53,64)(H,54,63)(H,60,61)(H4,47,48,49)
+CH$LINK: PUBCHEM CID:155802244
+CH$LINK: INCHIKEY OHHAWMYRUPJTKQ-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1012
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.195 min
+MS$FOCUSED_ION: BASE_PEAK 971.5206
+MS$FOCUSED_ION: PRECURSOR_M/Z 971.5208
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0uds-0000090368-91ecd2b44ba79bfd7562
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  531.268 C38H33N3- 8 531.268 0.04
+  549.2786 C38H35N3O- 9 549.2786 0.04
+  750.3947 C36H56N5O12- 9 750.3931 2.17
+  758.421 C38H58N6O10- 9 758.422 -1.33
+  838.4103 C40H56N9O11- 5 838.4105 -0.18
+  953.5099 C46H69N10O12- 1 953.5102 -0.35
+  971.5198 C46H71N10O13- 1 971.5208 -0.97
+PK$NUM_PEAK: 7
+PK$PEAK: m/z int. rel.int.
+  531.268 504019.1 309
+  549.2786 1616882.8 992
+  750.3947 427905.3 262
+  758.421 401374.6 246
+  838.4103 1628230.4 999
+  953.5099 1310532 804
+  971.5198 614841.7 377
+//
diff --git a/Eawag/MSBNK-EAWAG-EC063954.txt b/Eawag/MSBNK-EAWAG-EC063954.txt
new file mode 100644
index 0000000000..f019752cc4
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC063954.txt
@@ -0,0 +1,62 @@
+ACCESSION: MSBNK-EAWAG-EC063954
+RECORD_TITLE: Cyanopeptolin 972; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.aquatox.2023.106689
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 638
+CH$NAME: Cyanopeptolin 972
+CH$NAME: 5-[[15-[3-(diaminomethylideneamino)propyl]-21-hydroxy-5-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-2-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-5-oxo-4-(pentanoylamino)pentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C46H72N10O13
+CH$EXACT_MASS: 972.5280324
+CH$SMILES: O=C(NC(CCCNC(N)=N)C(NC1C(N(C(C(N(C(C(NC2C(C)C)=O)CC3=CC=C(O)C=C3)C)=O)CC(C)C)C(O)CC1)=O)=O)C(C(OC2=O)C)NC(C(CCC(O)=O)NC(CCCC)=O)=O
+CH$IUPAC: InChI=1S/C46H72N10O13/c1-8-9-12-34(58)50-30(18-20-36(60)61)40(63)54-38-26(6)69-45(68)37(25(4)5)53-41(64)32(23-27-13-15-28(57)16-14-27)55(7)44(67)33(22-24(2)3)56-35(59)19-17-31(43(56)66)52-39(62)29(51-42(38)65)11-10-21-49-46(47)48/h13-16,24-26,29-33,35,37-38,57,59H,8-12,17-23H2,1-7H3,(H,50,58)(H,51,65)(H,52,62)(H,53,64)(H,54,63)(H,60,61)(H4,47,48,49)
+CH$LINK: PUBCHEM CID:155802244
+CH$LINK: INCHIKEY OHHAWMYRUPJTKQ-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1012
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.195 min
+MS$FOCUSED_ION: BASE_PEAK 971.5206
+MS$FOCUSED_ION: PRECURSOR_M/Z 971.5208
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-000j-0000070290-2cca8925535d79203aaa
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  135.0563 C7H7N2O- 1 135.0564 -0.48
+  179.0454 C6H5N5O2- 2 179.0449 2.84
+  450.2361 C21H32N5O6- 8 450.2358 0.56
+  507.2561 C22H39N2O11- 9 507.2559 0.34
+  531.2678 C38H33N3- 9 531.268 -0.42
+  549.2786 C38H35N3O- 8 549.2786 0.15
+  750.3952 C36H56N5O12- 9 750.3931 2.82
+  758.4203 C38H58N6O10- 7 758.422 -2.22
+  821.3841 C40H53N8O11- 5 821.3839 0.16
+  838.4103 C40H56N9O11- 5 838.4105 -0.18
+PK$NUM_PEAK: 10
+PK$PEAK: m/z int. rel.int.
+  135.0563 26559.5 14
+  179.0454 117415.1 65
+  450.2361 48591.9 27
+  507.2561 188017.8 105
+  531.2678 384568.3 215
+  549.2786 1130852.4 633
+  750.3952 231100.8 129
+  758.4203 378929.3 212
+  821.3841 187786.8 105
+  838.4103 1783123.8 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC063955.txt b/Eawag/MSBNK-EAWAG-EC063955.txt
new file mode 100644
index 0000000000..ae3d0b9503
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC063955.txt
@@ -0,0 +1,80 @@
+ACCESSION: MSBNK-EAWAG-EC063955
+RECORD_TITLE: Cyanopeptolin 972; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.aquatox.2023.106689
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 638
+CH$NAME: Cyanopeptolin 972
+CH$NAME: 5-[[15-[3-(diaminomethylideneamino)propyl]-21-hydroxy-5-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-2-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-5-oxo-4-(pentanoylamino)pentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C46H72N10O13
+CH$EXACT_MASS: 972.5280324
+CH$SMILES: O=C(NC(CCCNC(N)=N)C(NC1C(N(C(C(N(C(C(NC2C(C)C)=O)CC3=CC=C(O)C=C3)C)=O)CC(C)C)C(O)CC1)=O)=O)C(C(OC2=O)C)NC(C(CCC(O)=O)NC(CCCC)=O)=O
+CH$IUPAC: InChI=1S/C46H72N10O13/c1-8-9-12-34(58)50-30(18-20-36(60)61)40(63)54-38-26(6)69-45(68)37(25(4)5)53-41(64)32(23-27-13-15-28(57)16-14-27)55(7)44(67)33(22-24(2)3)56-35(59)19-17-31(43(56)66)52-39(62)29(51-42(38)65)11-10-21-49-46(47)48/h13-16,24-26,29-33,35,37-38,57,59H,8-12,17-23H2,1-7H3,(H,50,58)(H,51,65)(H,52,62)(H,53,64)(H,54,63)(H,60,61)(H4,47,48,49)
+CH$LINK: PUBCHEM CID:155802244
+CH$LINK: INCHIKEY OHHAWMYRUPJTKQ-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1012
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.195 min
+MS$FOCUSED_ION: BASE_PEAK 971.5206
+MS$FOCUSED_ION: PRECURSOR_M/Z 971.5208
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00mx-0960000000-5b47123a21ff7ab59378
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  96.0091 C4H2NO2- 1 96.0091 -0.53
+  98.0359 C3H4N3O- 1 98.036 -0.62
+  110.0246 C5H4NO2- 1 110.0248 -1.2
+  114.0925 C6H12NO- 1 114.0924 0.13
+  116.0716 C5H10NO2- 1 116.0717 -0.64
+  119.05 C8H7O- 1 119.0502 -1.62
+  124.0516 C5H6N3O- 1 124.0516 -0.5
+  135.0561 C7H7N2O- 1 135.0564 -2.29
+  142.0504 C6H8NO3- 1 142.051 -3.91
+  169.0973 C6H11N5O- 1 169.0969 2.46
+  179.0454 C6H5N5O2- 2 179.0449 2.75
+  183.1127 C7H13N5O- 1 183.1126 0.91
+  195.0882 C7H15O6- 3 195.0874 3.93
+  212.1145 C7H18NO6- 3 212.114 2.69
+  221.0675 C9H9N4O3- 3 221.068 -2.33
+  226.1185 C8H14N6O2- 1 226.1184 0.37
+  238.1553 C10H18N6O- 2 238.1548 2.16
+  289.155 CH27N3O13- 5 289.1549 0.39
+  293.1505 C15H21N2O4- 3 293.1507 -0.56
+PK$NUM_PEAK: 19
+PK$PEAK: m/z int. rel.int.
+  96.0091 120363.8 223
+  98.0359 48794.6 90
+  110.0246 46850.4 86
+  114.0925 62655.7 116
+  116.0716 272497.1 504
+  119.05 134746.3 249
+  124.0516 101733.7 188
+  135.0561 260665.1 482
+  142.0504 121638.9 225
+  169.0973 180476.2 334
+  179.0454 243050.4 450
+  183.1127 91260.5 169
+  195.0882 124992.7 231
+  212.1145 71561.9 132
+  221.0675 70614.6 130
+  226.1185 128540 238
+  238.1553 90008.4 166
+  289.155 304429.2 564
+  293.1505 539139.9 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC063956.txt b/Eawag/MSBNK-EAWAG-EC063956.txt
new file mode 100644
index 0000000000..659a584000
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC063956.txt
@@ -0,0 +1,110 @@
+ACCESSION: MSBNK-EAWAG-EC063956
+RECORD_TITLE: Cyanopeptolin 972; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.aquatox.2023.106689
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 638
+CH$NAME: Cyanopeptolin 972
+CH$NAME: 5-[[15-[3-(diaminomethylideneamino)propyl]-21-hydroxy-5-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-2-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-5-oxo-4-(pentanoylamino)pentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C46H72N10O13
+CH$EXACT_MASS: 972.5280324
+CH$SMILES: O=C(NC(CCCNC(N)=N)C(NC1C(N(C(C(N(C(C(NC2C(C)C)=O)CC3=CC=C(O)C=C3)C)=O)CC(C)C)C(O)CC1)=O)=O)C(C(OC2=O)C)NC(C(CCC(O)=O)NC(CCCC)=O)=O
+CH$IUPAC: InChI=1S/C46H72N10O13/c1-8-9-12-34(58)50-30(18-20-36(60)61)40(63)54-38-26(6)69-45(68)37(25(4)5)53-41(64)32(23-27-13-15-28(57)16-14-27)55(7)44(67)33(22-24(2)3)56-35(59)19-17-31(43(56)66)52-39(62)29(51-42(38)65)11-10-21-49-46(47)48/h13-16,24-26,29-33,35,37-38,57,59H,8-12,17-23H2,1-7H3,(H,50,58)(H,51,65)(H,52,62)(H,53,64)(H,54,63)(H,60,61)(H4,47,48,49)
+CH$LINK: PUBCHEM CID:155802244
+CH$LINK: INCHIKEY OHHAWMYRUPJTKQ-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1012
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.195 min
+MS$FOCUSED_ION: BASE_PEAK 971.5206
+MS$FOCUSED_ION: PRECURSOR_M/Z 971.5208
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-014i-1920000000-86561d4ed01e5d55db94
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  84.0092 C3H2NO2- 1 84.0091 0.8
+  96.009 C4H2NO2- 1 96.0091 -1.17
+  98.0247 C4H4NO2- 1 98.0248 -0.67
+  98.036 C3H4N3O- 1 98.036 -0.15
+  99.0564 C4H7N2O- 1 99.0564 -0.18
+  107.0502 C7H7O- 1 107.0502 -0.43
+  110.0247 C5H4NO2- 1 110.0248 -0.37
+  112.028 C4H4N2O2- 1 112.0278 1.85
+  113.0357 C4H5N2O2- 1 113.0357 0.7
+  114.0924 C6H12NO- 1 114.0924 -0.14
+  116.0716 C5H10NO2- 1 116.0717 -1.3
+  119.0501 C8H7O- 1 119.0502 -1.49
+  123.045 C7H7O2- 1 123.0452 -1.17
+  124.0403 C6H6NO2- 1 124.0404 -1.09
+  124.0516 C5H6N3O- 1 124.0516 -0.01
+  130.0985 C5H12N3O- 1 130.0986 -0.98
+  135.056 C7H7N2O- 1 135.0564 -2.51
+  136.0402 C7H6NO2- 1 136.0404 -1.73
+  137.0353 C6H5N2O2- 1 137.0357 -2.76
+  140.0351 C6H6NO3- 1 140.0353 -1.65
+  141.1029 C7H13N2O- 1 141.1033 -3.01
+  142.0505 C6H8NO3- 1 142.051 -3.38
+  143.1185 C7H15N2O- 1 143.119 -3.53
+  165.1026 C7H11N5- 2 165.102 3.96
+  169.0974 C6H11N5O- 1 169.0969 2.64
+  179.0453 C6H5N5O2- 1 179.0449 2.5
+  183.1128 C7H13N5O- 1 183.1126 1.08
+  200.1392 C7H16N6O- 1 200.1391 0.7
+  212.1399 C8H16N6O- 2 212.1391 3.62
+  218.1173 C11H14N4O- 1 218.1173 -0.16
+  238.1554 C10H18N6O- 2 238.1548 2.67
+  289.1551 CH27N3O13- 5 289.1549 0.6
+  293.1499 C15H21N2O4- 3 293.1507 -2.54
+  314.2197 C14H28N5O3- 5 314.2198 -0.24
+PK$NUM_PEAK: 34
+PK$PEAK: m/z int. rel.int.
+  84.0092 40083.2 61
+  96.009 201100.5 309
+  98.0247 126054.3 194
+  98.036 56200.1 86
+  99.0564 64930.7 100
+  107.0502 95455.8 147
+  110.0247 107852.7 166
+  112.028 59165.1 91
+  113.0357 22528.5 34
+  114.0924 135154.9 208
+  116.0716 648624.4 999
+  119.0501 508764.4 783
+  123.045 57363.5 88
+  124.0403 88143.3 135
+  124.0516 58021.8 89
+  130.0985 56335.7 86
+  135.056 368935.4 568
+  136.0402 110231.1 169
+  137.0353 36736.6 56
+  140.0351 38903.3 59
+  141.1029 156234.8 240
+  142.0505 112718.8 173
+  143.1185 196059.6 301
+  165.1026 94583.3 145
+  169.0974 422286.5 650
+  179.0453 71106 109
+  183.1128 230633.8 355
+  200.1392 254139.2 391
+  212.1399 88815.2 136
+  218.1173 228300.1 351
+  238.1554 94387.4 145
+  289.1551 196325.1 302
+  293.1499 308431.5 475
+  314.2197 118553.8 182
+//
diff --git a/Eawag/MSBNK-EAWAG-EC063957.txt b/Eawag/MSBNK-EAWAG-EC063957.txt
new file mode 100644
index 0000000000..1d6236b3a8
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC063957.txt
@@ -0,0 +1,98 @@
+ACCESSION: MSBNK-EAWAG-EC063957
+RECORD_TITLE: Cyanopeptolin 972; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.aquatox.2023.106689
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 638
+CH$NAME: Cyanopeptolin 972
+CH$NAME: 5-[[15-[3-(diaminomethylideneamino)propyl]-21-hydroxy-5-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-2-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-5-oxo-4-(pentanoylamino)pentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C46H72N10O13
+CH$EXACT_MASS: 972.5280324
+CH$SMILES: O=C(NC(CCCNC(N)=N)C(NC1C(N(C(C(N(C(C(NC2C(C)C)=O)CC3=CC=C(O)C=C3)C)=O)CC(C)C)C(O)CC1)=O)=O)C(C(OC2=O)C)NC(C(CCC(O)=O)NC(CCCC)=O)=O
+CH$IUPAC: InChI=1S/C46H72N10O13/c1-8-9-12-34(58)50-30(18-20-36(60)61)40(63)54-38-26(6)69-45(68)37(25(4)5)53-41(64)32(23-27-13-15-28(57)16-14-27)55(7)44(67)33(22-24(2)3)56-35(59)19-17-31(43(56)66)52-39(62)29(51-42(38)65)11-10-21-49-46(47)48/h13-16,24-26,29-33,35,37-38,57,59H,8-12,17-23H2,1-7H3,(H,50,58)(H,51,65)(H,52,62)(H,53,64)(H,54,63)(H,60,61)(H4,47,48,49)
+CH$LINK: PUBCHEM CID:155802244
+CH$LINK: INCHIKEY OHHAWMYRUPJTKQ-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1012
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.195 min
+MS$FOCUSED_ION: BASE_PEAK 971.5206
+MS$FOCUSED_ION: PRECURSOR_M/Z 971.5208
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-014i-1910000000-687bd68a4d33747e45c6
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  84.009 C3H2NO2- 1 84.0091 -0.66
+  87.0565 C3H7N2O- 1 87.0564 1.17
+  93.0344 C6H5O- 1 93.0346 -2.01
+  96.009 C4H2NO2- 1 96.0091 -1.33
+  98.0247 C4H4NO2- 1 98.0248 -0.82
+  98.0358 C3H4N3O- 1 98.036 -1.63
+  99.0565 C4H7N2O- 1 99.0564 1.21
+  110.0246 C5H4NO2- 1 110.0248 -1.75
+  111.0198 C4H3N2O2- 1 111.02 -1.77
+  112.0277 C4H4N2O2- 1 112.0278 -1.14
+  113.0719 C5H9N2O- 1 113.072 -1.13
+  114.0923 C6H12NO- 1 114.0924 -1.41
+  116.0715 C5H10NO2- 1 116.0717 -1.69
+  119.05 C8H7O- 1 119.0502 -1.68
+  124.0402 C6H6NO2- 1 124.0404 -1.52
+  126.0434 C5H6N2O2- 1 126.0435 -0.23
+  130.098 C5H12N3O- 1 130.0986 -4.5
+  135.056 C7H7N2O- 1 135.0564 -2.63
+  136.0398 C7H6NO2- 1 136.0404 -4.75
+  141.1028 C7H13N2O- 1 141.1033 -3.98
+  143.1185 C7H15N2O- 1 143.119 -3.74
+  153.1028 C6H11N5- 2 153.102 4.98
+  156.0772 C4H8N6O- 2 156.0765 4.22
+  169.0973 C6H11N5O- 1 169.0969 2.19
+  170.0924 C5H10N6O- 1 170.0922 1.52
+  183.1129 C7H13N5O- 1 183.1126 2.08
+  200.1393 C7H16N6O- 1 200.1391 0.93
+  218.1168 C11H14N4O- 3 218.1173 -2.47
+PK$NUM_PEAK: 28
+PK$PEAK: m/z int. rel.int.
+  84.009 48698.3 65
+  87.0565 33261.7 44
+  93.0344 53676.6 71
+  96.009 264301.8 353
+  98.0247 139460.8 186
+  98.0358 53366.6 71
+  99.0565 71195.5 95
+  110.0246 128994.8 172
+  111.0198 25770.5 34
+  112.0277 204443.1 273
+  113.0719 50813.5 67
+  114.0923 150762.8 201
+  116.0715 747766 999
+  119.05 719215.1 960
+  124.0402 98882.2 132
+  126.0434 64145.1 85
+  130.098 196598.6 262
+  135.056 287394.5 383
+  136.0398 104306.5 139
+  141.1028 165935.7 221
+  143.1185 459065.7 613
+  153.1028 54579.6 72
+  156.0772 109475 146
+  169.0973 513027.9 685
+  170.0924 143709.6 191
+  183.1129 154108.5 205
+  200.1393 378783.5 506
+  218.1168 152416.5 203
+//
diff --git a/Eawag/MSBNK-EAWAG-EC063958.txt b/Eawag/MSBNK-EAWAG-EC063958.txt
new file mode 100644
index 0000000000..4b9169d084
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC063958.txt
@@ -0,0 +1,82 @@
+ACCESSION: MSBNK-EAWAG-EC063958
+RECORD_TITLE: Cyanopeptolin 972; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.aquatox.2023.106689
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 638
+CH$NAME: Cyanopeptolin 972
+CH$NAME: 5-[[15-[3-(diaminomethylideneamino)propyl]-21-hydroxy-5-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-2-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-5-oxo-4-(pentanoylamino)pentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C46H72N10O13
+CH$EXACT_MASS: 972.5280324
+CH$SMILES: O=C(NC(CCCNC(N)=N)C(NC1C(N(C(C(N(C(C(NC2C(C)C)=O)CC3=CC=C(O)C=C3)C)=O)CC(C)C)C(O)CC1)=O)=O)C(C(OC2=O)C)NC(C(CCC(O)=O)NC(CCCC)=O)=O
+CH$IUPAC: InChI=1S/C46H72N10O13/c1-8-9-12-34(58)50-30(18-20-36(60)61)40(63)54-38-26(6)69-45(68)37(25(4)5)53-41(64)32(23-27-13-15-28(57)16-14-27)55(7)44(67)33(22-24(2)3)56-35(59)19-17-31(43(56)66)52-39(62)29(51-42(38)65)11-10-21-49-46(47)48/h13-16,24-26,29-33,35,37-38,57,59H,8-12,17-23H2,1-7H3,(H,50,58)(H,51,65)(H,52,62)(H,53,64)(H,54,63)(H,60,61)(H4,47,48,49)
+CH$LINK: PUBCHEM CID:155802244
+CH$LINK: INCHIKEY OHHAWMYRUPJTKQ-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1012
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.195 min
+MS$FOCUSED_ION: BASE_PEAK 971.5206
+MS$FOCUSED_ION: PRECURSOR_M/Z 971.5208
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-014i-1900000000-cec9b82445fb7834c4f7
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  73.0408 C2H5N2O- 1 73.0407 0.4
+  93.0346 C6H5O- 1 93.0346 -0.04
+  96.0089 C4H2NO2- 1 96.0091 -1.88
+  98.0246 C4H4NO2- 1 98.0248 -1.76
+  110.0246 C5H4NO2- 1 110.0248 -1.75
+  112.0276 C4H4N2O2- 1 112.0278 -1.69
+  113.0355 C4H5N2O2- 1 113.0357 -1.53
+  114.0924 C6H12NO- 1 114.0924 -0.34
+  116.0715 C5H10NO2- 1 116.0717 -1.76
+  119.05 C8H7O- 1 119.0502 -1.88
+  125.0354 C5H5N2O2- 1 125.0357 -1.86
+  130.0981 C5H12N3O- 1 130.0986 -3.79
+  135.056 C7H7N2O- 1 135.0564 -2.85
+  136.04 C7H6NO2- 1 136.0404 -2.62
+  139.0509 C6H7N2O2- 1 139.0513 -2.85
+  141.103 C7H13N2O- 1 141.1033 -2.68
+  143.1185 C7H15N2O- 1 143.119 -3.74
+  169.0974 C6H11N5O- 1 169.0969 2.64
+  170.0925 C5H10N6O- 1 170.0922 1.79
+  200.1393 C7H16N6O- 1 200.1391 0.78
+PK$NUM_PEAK: 20
+PK$PEAK: m/z int. rel.int.
+  73.0408 62405.9 95
+  93.0346 59226.6 91
+  96.0089 236115.2 362
+  98.0246 117214.4 180
+  110.0246 104943.4 161
+  112.0276 336951.5 517
+  113.0355 53863.8 82
+  114.0924 110106.2 169
+  116.0715 580065.1 891
+  119.05 650185.6 999
+  125.0354 65003.8 99
+  130.0981 198012.7 304
+  135.056 161098.7 247
+  136.04 64488 99
+  139.0509 30398.4 46
+  141.103 128654.6 197
+  143.1185 514613.8 790
+  169.0974 306310 470
+  170.0925 87677 134
+  200.1393 214368.5 329
+//
diff --git a/Eawag/MSBNK-EAWAG-EC063959.txt b/Eawag/MSBNK-EAWAG-EC063959.txt
new file mode 100644
index 0000000000..724fcbd957
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC063959.txt
@@ -0,0 +1,88 @@
+ACCESSION: MSBNK-EAWAG-EC063959
+RECORD_TITLE: Cyanopeptolin 972; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.aquatox.2023.106689
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 638
+CH$NAME: Cyanopeptolin 972
+CH$NAME: 5-[[15-[3-(diaminomethylideneamino)propyl]-21-hydroxy-5-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-2-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-5-oxo-4-(pentanoylamino)pentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C46H72N10O13
+CH$EXACT_MASS: 972.5280324
+CH$SMILES: O=C(NC(CCCNC(N)=N)C(NC1C(N(C(C(N(C(C(NC2C(C)C)=O)CC3=CC=C(O)C=C3)C)=O)CC(C)C)C(O)CC1)=O)=O)C(C(OC2=O)C)NC(C(CCC(O)=O)NC(CCCC)=O)=O
+CH$IUPAC: InChI=1S/C46H72N10O13/c1-8-9-12-34(58)50-30(18-20-36(60)61)40(63)54-38-26(6)69-45(68)37(25(4)5)53-41(64)32(23-27-13-15-28(57)16-14-27)55(7)44(67)33(22-24(2)3)56-35(59)19-17-31(43(56)66)52-39(62)29(51-42(38)65)11-10-21-49-46(47)48/h13-16,24-26,29-33,35,37-38,57,59H,8-12,17-23H2,1-7H3,(H,50,58)(H,51,65)(H,52,62)(H,53,64)(H,54,63)(H,60,61)(H4,47,48,49)
+CH$LINK: PUBCHEM CID:155802244
+CH$LINK: INCHIKEY OHHAWMYRUPJTKQ-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1012
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.195 min
+MS$FOCUSED_ION: BASE_PEAK 971.5206
+MS$FOCUSED_ION: PRECURSOR_M/Z 971.5208
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-014i-2900000000-438a7b7db32337332c60
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  58.0298 C2H4NO- 1 58.0298 -0.45
+  58.0411 CH4N3- 1 58.0411 -0.04
+  66.0349 C4H4N- 1 66.0349 -0.67
+  73.0406 C2H5N2O- 1 73.0407 -1.37
+  87.0562 C3H7N2O- 1 87.0564 -1.98
+  93.0345 C6H5O- 1 93.0346 -1.19
+  96.009 C4H2NO2- 1 96.0091 -0.77
+  98.0248 C4H4NO2- 1 98.0248 0.27
+  107.0502 C7H7O- 1 107.0502 0.07
+  110.0248 C5H4NO2- 1 110.0248 0.4
+  112.0277 C4H4N2O2- 1 112.0278 -1.48
+  113.0357 C4H5N2O2- 1 113.0357 0.76
+  114.0923 C6H12NO- 1 114.0924 -1.21
+  116.0715 C5H10NO2- 1 116.0717 -2.09
+  119.0501 C8H7O- 1 119.0502 -1.3
+  124.0404 C6H6NO2- 1 124.0404 0.02
+  125.0355 C5H5N2O2- 1 125.0357 -1.5
+  130.0982 C5H12N3O- 1 130.0986 -3.09
+  135.0558 C7H7N2O- 1 135.0564 -4.32
+  141.1031 C7H13N2O- 1 141.1033 -1.82
+  143.1185 C7H15N2O- 1 143.119 -3.74
+  169.0974 C6H11N5O- 1 169.0969 2.64
+  200.1394 C7H16N6O- 1 200.1391 1.54
+PK$NUM_PEAK: 23
+PK$PEAK: m/z int. rel.int.
+  58.0298 37158.3 64
+  58.0411 40371.9 70
+  66.0349 38343 66
+  73.0406 66235.6 115
+  87.0562 70904.9 123
+  93.0345 60941.1 106
+  96.009 231694.8 404
+  98.0248 106169 185
+  107.0502 59663.4 104
+  110.0248 73198.8 127
+  112.0277 404041.7 705
+  113.0357 44407.7 77
+  114.0923 75554.5 131
+  116.0715 443835.1 774
+  119.0501 572474 999
+  124.0404 21895.4 38
+  125.0355 72417.7 126
+  130.0982 148158 258
+  135.0558 107832.2 188
+  141.1031 82273.9 143
+  143.1185 425245 742
+  169.0974 139115.2 242
+  200.1394 81930.8 142
+//
diff --git a/Eawag/MSBNK-EAWAG-EC064201.txt b/Eawag/MSBNK-EAWAG-EC064201.txt
new file mode 100644
index 0000000000..565ae852ba
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC064201.txt
@@ -0,0 +1,46 @@
+ACCESSION: MSBNK-EAWAG-EC064201
+RECORD_TITLE: Cyanopeptolin B; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 1
+COMMENT: CyanoMetDB_ID 642
+CH$NAME: Cyanopeptolin B
+CH$NAME: 4-[[(2S,5S,8S,11R,12S,15S)-15-(4-aminobutyl)-5-benzyl-21-hydroxy-4,11-dimethyl-2-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-3-(hexanoylamino)-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C46H72N8O12
+CH$EXACT_MASS: 928.5269697
+CH$SMILES: CCCCCC(=O)NC(CC(=O)O)C(=O)N[C@H]1[C@H](OC(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](N2C(CCC(C2=O)NC(=O)[C@@H](NC1=O)CCCCN)O)CC(C)C)C)CC3=CC=CC=C3)C(C)C)C
+CH$IUPAC: InChI=1S/C46H72N8O12/c1-8-9-11-19-35(55)48-32(25-37(57)58)41(60)52-39-28(6)66-46(65)38(27(4)5)51-42(61)33(24-29-16-12-10-13-17-29)53(7)45(64)34(23-26(2)3)54-36(56)21-20-31(44(54)63)50-40(59)30(49-43(39)62)18-14-15-22-47/h10,12-13,16-17,26-28,30-34,36,38-39,56H,8-9,11,14-15,18-25,47H2,1-7H3,(H,48,55)(H,49,62)(H,50,59)(H,51,61)(H,52,60)(H,57,58)/t28-,30+,31?,32?,33+,34+,36?,38+,39+/m1/s1
+CH$LINK: PUBCHEM CID:139291933
+CH$LINK: INCHIKEY KSVGOBQTQGOLQM-PLGRJYAQSA-N
+CH$LINK: CHEMSPIDER 78437037
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-969
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.769 min
+MS$FOCUSED_ION: BASE_PEAK 957.5655
+MS$FOCUSED_ION: PRECURSOR_M/Z 929.5342
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03di-0000000009-bdf1db90c590b45b993c
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  911.5238 C46H71N8O11+ 1 911.5237 0.13
+  929.5345 C46H73N8O12+ 1 929.5342 0.22
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  911.5238 686859.2 999
+  929.5345 116547.1 169
+//
diff --git a/Eawag/MSBNK-EAWAG-EC064202.txt b/Eawag/MSBNK-EAWAG-EC064202.txt
new file mode 100644
index 0000000000..65eebbc4d2
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC064202.txt
@@ -0,0 +1,50 @@
+ACCESSION: MSBNK-EAWAG-EC064202
+RECORD_TITLE: Cyanopeptolin B; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 1
+COMMENT: CyanoMetDB_ID 642
+CH$NAME: Cyanopeptolin B
+CH$NAME: 4-[[(2S,5S,8S,11R,12S,15S)-15-(4-aminobutyl)-5-benzyl-21-hydroxy-4,11-dimethyl-2-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-3-(hexanoylamino)-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C46H72N8O12
+CH$EXACT_MASS: 928.5269697
+CH$SMILES: CCCCCC(=O)NC(CC(=O)O)C(=O)N[C@H]1[C@H](OC(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](N2C(CCC(C2=O)NC(=O)[C@@H](NC1=O)CCCCN)O)CC(C)C)C)CC3=CC=CC=C3)C(C)C)C
+CH$IUPAC: InChI=1S/C46H72N8O12/c1-8-9-11-19-35(55)48-32(25-37(57)58)41(60)52-39-28(6)66-46(65)38(27(4)5)51-42(61)33(24-29-16-12-10-13-17-29)53(7)45(64)34(23-26(2)3)54-36(56)21-20-31(44(54)63)50-40(59)30(49-43(39)62)18-14-15-22-47/h10,12-13,16-17,26-28,30-34,36,38-39,56H,8-9,11,14-15,18-25,47H2,1-7H3,(H,48,55)(H,49,62)(H,50,59)(H,51,61)(H,52,60)(H,57,58)/t28-,30+,31?,32?,33+,34+,36?,38+,39+/m1/s1
+CH$LINK: PUBCHEM CID:139291933
+CH$LINK: INCHIKEY KSVGOBQTQGOLQM-PLGRJYAQSA-N
+CH$LINK: CHEMSPIDER 78437037
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-969
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.769 min
+MS$FOCUSED_ION: BASE_PEAK 957.5655
+MS$FOCUSED_ION: PRECURSOR_M/Z 929.5342
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03k9-0008000009-ed0e370dcb9af5432237
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  134.0966 C9H12N+ 1 134.0964 1.57
+  209.1284 C11H17N2O2+ 1 209.1285 -0.27
+  370.212 C21H28N3O3+ 4 370.2125 -1.42
+  911.5233 C46H71N8O11+ 1 911.5237 -0.41
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  134.0966 17463.9 35
+  209.1284 26781.2 54
+  370.212 456772.9 930
+  911.5233 490347 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC064203.txt b/Eawag/MSBNK-EAWAG-EC064203.txt
new file mode 100644
index 0000000000..c38d6083c1
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC064203.txt
@@ -0,0 +1,54 @@
+ACCESSION: MSBNK-EAWAG-EC064203
+RECORD_TITLE: Cyanopeptolin B; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 1
+COMMENT: CyanoMetDB_ID 642
+CH$NAME: Cyanopeptolin B
+CH$NAME: 4-[[(2S,5S,8S,11R,12S,15S)-15-(4-aminobutyl)-5-benzyl-21-hydroxy-4,11-dimethyl-2-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-3-(hexanoylamino)-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C46H72N8O12
+CH$EXACT_MASS: 928.5269697
+CH$SMILES: CCCCCC(=O)NC(CC(=O)O)C(=O)N[C@H]1[C@H](OC(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](N2C(CCC(C2=O)NC(=O)[C@@H](NC1=O)CCCCN)O)CC(C)C)C)CC3=CC=CC=C3)C(C)C)C
+CH$IUPAC: InChI=1S/C46H72N8O12/c1-8-9-11-19-35(55)48-32(25-37(57)58)41(60)52-39-28(6)66-46(65)38(27(4)5)51-42(61)33(24-29-16-12-10-13-17-29)53(7)45(64)34(23-26(2)3)54-36(56)21-20-31(44(54)63)50-40(59)30(49-43(39)62)18-14-15-22-47/h10,12-13,16-17,26-28,30-34,36,38-39,56H,8-9,11,14-15,18-25,47H2,1-7H3,(H,48,55)(H,49,62)(H,50,59)(H,51,61)(H,52,60)(H,57,58)/t28-,30+,31?,32?,33+,34+,36?,38+,39+/m1/s1
+CH$LINK: PUBCHEM CID:139291933
+CH$LINK: INCHIKEY KSVGOBQTQGOLQM-PLGRJYAQSA-N
+CH$LINK: CHEMSPIDER 78437037
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-969
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.769 min
+MS$FOCUSED_ION: BASE_PEAK 957.5655
+MS$FOCUSED_ION: PRECURSOR_M/Z 929.5342
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00di-0229000001-612297521b45a2d649f4
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  129.1022 C6H13N2O+ 1 129.1022 -0.33
+  134.0963 C9H12N+ 1 134.0964 -0.6
+  181.1331 C10H17N2O+ 1 181.1335 -2.36
+  209.128 C11H17N2O2+ 2 209.1285 -2.32
+  370.212 C21H28N3O3+ 5 370.2125 -1.34
+  911.525 C46H71N8O11+ 1 911.5237 1.4
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  129.1022 16088.7 17
+  134.0963 143697.1 156
+  181.1331 61102.6 66
+  209.128 227010.1 247
+  370.212 915782.2 999
+  911.525 112265.2 122
+//
diff --git a/Eawag/MSBNK-EAWAG-EC064204.txt b/Eawag/MSBNK-EAWAG-EC064204.txt
new file mode 100644
index 0000000000..fa49ff8a52
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC064204.txt
@@ -0,0 +1,58 @@
+ACCESSION: MSBNK-EAWAG-EC064204
+RECORD_TITLE: Cyanopeptolin B; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 1
+COMMENT: CyanoMetDB_ID 642
+CH$NAME: Cyanopeptolin B
+CH$NAME: 4-[[(2S,5S,8S,11R,12S,15S)-15-(4-aminobutyl)-5-benzyl-21-hydroxy-4,11-dimethyl-2-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-3-(hexanoylamino)-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C46H72N8O12
+CH$EXACT_MASS: 928.5269697
+CH$SMILES: CCCCCC(=O)NC(CC(=O)O)C(=O)N[C@H]1[C@H](OC(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](N2C(CCC(C2=O)NC(=O)[C@@H](NC1=O)CCCCN)O)CC(C)C)C)CC3=CC=CC=C3)C(C)C)C
+CH$IUPAC: InChI=1S/C46H72N8O12/c1-8-9-11-19-35(55)48-32(25-37(57)58)41(60)52-39-28(6)66-46(65)38(27(4)5)51-42(61)33(24-29-16-12-10-13-17-29)53(7)45(64)34(23-26(2)3)54-36(56)21-20-31(44(54)63)50-40(59)30(49-43(39)62)18-14-15-22-47/h10,12-13,16-17,26-28,30-34,36,38-39,56H,8-9,11,14-15,18-25,47H2,1-7H3,(H,48,55)(H,49,62)(H,50,59)(H,51,61)(H,52,60)(H,57,58)/t28-,30+,31?,32?,33+,34+,36?,38+,39+/m1/s1
+CH$LINK: PUBCHEM CID:139291933
+CH$LINK: INCHIKEY KSVGOBQTQGOLQM-PLGRJYAQSA-N
+CH$LINK: CHEMSPIDER 78437037
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-969
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.769 min
+MS$FOCUSED_ION: BASE_PEAK 957.5655
+MS$FOCUSED_ION: PRECURSOR_M/Z 929.5342
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-05gi-1988000000-1626f1bd9827444f3ddd
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  84.0807 C5H10N+ 1 84.0808 -0.86
+  86.0967 C5H12N+ 1 86.0964 3.11
+  129.1025 C6H13N2O+ 1 129.1022 2.27
+  134.0964 C9H12N+ 1 134.0964 -0.48
+  181.1334 C10H17N2O+ 1 181.1335 -0.93
+  209.1281 C11H17N2O2+ 2 209.1285 -1.66
+  212.1397 C10H18N3O2+ 2 212.1394 1.56
+  370.212 C21H28N3O3+ 4 370.2125 -1.42
+PK$NUM_PEAK: 8
+PK$PEAK: m/z int. rel.int.
+  84.0807 45815.4 73
+  86.0967 42037.2 67
+  129.1025 29204.3 46
+  134.0964 390064.6 626
+  181.1334 204651.5 328
+  209.1281 556937.1 894
+  212.1397 23719.3 38
+  370.212 622266.6 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC064205.txt b/Eawag/MSBNK-EAWAG-EC064205.txt
new file mode 100644
index 0000000000..9459b259a6
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC064205.txt
@@ -0,0 +1,68 @@
+ACCESSION: MSBNK-EAWAG-EC064205
+RECORD_TITLE: Cyanopeptolin B; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 1
+COMMENT: CyanoMetDB_ID 642
+CH$NAME: Cyanopeptolin B
+CH$NAME: 4-[[(2S,5S,8S,11R,12S,15S)-15-(4-aminobutyl)-5-benzyl-21-hydroxy-4,11-dimethyl-2-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-3-(hexanoylamino)-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C46H72N8O12
+CH$EXACT_MASS: 928.5269697
+CH$SMILES: CCCCCC(=O)NC(CC(=O)O)C(=O)N[C@H]1[C@H](OC(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](N2C(CCC(C2=O)NC(=O)[C@@H](NC1=O)CCCCN)O)CC(C)C)C)CC3=CC=CC=C3)C(C)C)C
+CH$IUPAC: InChI=1S/C46H72N8O12/c1-8-9-11-19-35(55)48-32(25-37(57)58)41(60)52-39-28(6)66-46(65)38(27(4)5)51-42(61)33(24-29-16-12-10-13-17-29)53(7)45(64)34(23-26(2)3)54-36(56)21-20-31(44(54)63)50-40(59)30(49-43(39)62)18-14-15-22-47/h10,12-13,16-17,26-28,30-34,36,38-39,56H,8-9,11,14-15,18-25,47H2,1-7H3,(H,48,55)(H,49,62)(H,50,59)(H,51,61)(H,52,60)(H,57,58)/t28-,30+,31?,32?,33+,34+,36?,38+,39+/m1/s1
+CH$LINK: PUBCHEM CID:139291933
+CH$LINK: INCHIKEY KSVGOBQTQGOLQM-PLGRJYAQSA-N
+CH$LINK: CHEMSPIDER 78437037
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-969
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.769 min
+MS$FOCUSED_ION: BASE_PEAK 957.5655
+MS$FOCUSED_ION: PRECURSOR_M/Z 929.5342
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-001i-2930000000-c446a5bae9977156cdc8
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  68.0496 C4H6N+ 1 68.0495 2.31
+  84.0807 C5H10N+ 1 84.0808 -0.86
+  86.0964 C5H12N+ 1 86.0964 -0.08
+  124.1122 C8H14N+ 1 124.1121 0.77
+  129.1025 C6H13N2O+ 1 129.1022 2.03
+  134.0963 C9H12N+ 1 134.0964 -0.71
+  153.1385 C9H17N2+ 1 153.1386 -1.11
+  162.0913 C10H12NO+ 1 162.0913 -0.11
+  181.1334 C10H17N2O+ 1 181.1335 -0.84
+  209.128 C11H17N2O2+ 2 209.1285 -1.95
+  212.1394 C10H18N3O2+ 1 212.1394 0.12
+  245.1643 H27N3O11+ 5 245.164 1.31
+  258.1482 CH26N2O12+ 4 258.148 0.62
+PK$NUM_PEAK: 13
+PK$PEAK: m/z int. rel.int.
+  68.0496 22450.1 37
+  84.0807 132749.1 223
+  86.0964 256391.4 431
+  124.1122 27116.2 45
+  129.1025 76137.6 128
+  134.0963 593873.2 999
+  153.1385 192840.2 324
+  162.0913 21927 36
+  181.1334 493773.1 830
+  209.128 425898.6 716
+  212.1394 16303.1 27
+  245.1643 64782.8 108
+  258.1482 54467 91
+//
diff --git a/Eawag/MSBNK-EAWAG-EC064206.txt b/Eawag/MSBNK-EAWAG-EC064206.txt
new file mode 100644
index 0000000000..af478ae5ea
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC064206.txt
@@ -0,0 +1,76 @@
+ACCESSION: MSBNK-EAWAG-EC064206
+RECORD_TITLE: Cyanopeptolin B; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 1
+COMMENT: CyanoMetDB_ID 642
+CH$NAME: Cyanopeptolin B
+CH$NAME: 4-[[(2S,5S,8S,11R,12S,15S)-15-(4-aminobutyl)-5-benzyl-21-hydroxy-4,11-dimethyl-2-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-3-(hexanoylamino)-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C46H72N8O12
+CH$EXACT_MASS: 928.5269697
+CH$SMILES: CCCCCC(=O)NC(CC(=O)O)C(=O)N[C@H]1[C@H](OC(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](N2C(CCC(C2=O)NC(=O)[C@@H](NC1=O)CCCCN)O)CC(C)C)C)CC3=CC=CC=C3)C(C)C)C
+CH$IUPAC: InChI=1S/C46H72N8O12/c1-8-9-11-19-35(55)48-32(25-37(57)58)41(60)52-39-28(6)66-46(65)38(27(4)5)51-42(61)33(24-29-16-12-10-13-17-29)53(7)45(64)34(23-26(2)3)54-36(56)21-20-31(44(54)63)50-40(59)30(49-43(39)62)18-14-15-22-47/h10,12-13,16-17,26-28,30-34,36,38-39,56H,8-9,11,14-15,18-25,47H2,1-7H3,(H,48,55)(H,49,62)(H,50,59)(H,51,61)(H,52,60)(H,57,58)/t28-,30+,31?,32?,33+,34+,36?,38+,39+/m1/s1
+CH$LINK: PUBCHEM CID:139291933
+CH$LINK: INCHIKEY KSVGOBQTQGOLQM-PLGRJYAQSA-N
+CH$LINK: CHEMSPIDER 78437037
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-969
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.769 min
+MS$FOCUSED_ION: BASE_PEAK 957.5655
+MS$FOCUSED_ION: PRECURSOR_M/Z 929.5342
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-001i-6900000000-50c3cf96e53ef478a1c8
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  68.0494 C4H6N+ 1 68.0495 -1.05
+  70.0653 C4H8N+ 1 70.0651 1.99
+  72.081 C4H10N+ 1 72.0808 2.82
+  74.0601 C3H8NO+ 1 74.06 0.31
+  84.0444 C4H6NO+ 1 84.0444 0.51
+  84.0808 C5H10N+ 1 84.0808 0.5
+  86.0964 C5H12N+ 1 86.0964 -0.08
+  88.0394 C3H6NO2+ 1 88.0393 0.59
+  124.1121 C8H14N+ 1 124.1121 0.15
+  129.1024 C6H13N2O+ 1 129.1022 1.08
+  134.0964 C9H12N+ 1 134.0964 -0.48
+  136.1122 C9H14N+ 1 136.1121 0.96
+  153.1384 C9H17N2+ 1 153.1386 -1.41
+  155.0814 C7H11N2O2+ 1 155.0815 -0.67
+  181.1333 C10H17N2O+ 1 181.1335 -1.51
+  209.1281 C11H17N2O2+ 2 209.1285 -1.81
+  258.1489 C16H20NO2+ 3 258.1489 0.36
+PK$NUM_PEAK: 17
+PK$PEAK: m/z int. rel.int.
+  68.0494 106862.8 146
+  70.0653 20585.7 28
+  72.081 36544.2 50
+  74.0601 14288.9 19
+  84.0444 19576.3 26
+  84.0808 233434.1 320
+  86.0964 566334.3 778
+  88.0394 43799 60
+  124.1121 71460.5 98
+  129.1024 100569.4 138
+  134.0964 727166.4 999
+  136.1122 30301 41
+  153.1384 221555.5 304
+  155.0814 15866.9 21
+  181.1333 367102.9 504
+  209.1281 90121 123
+  258.1489 41603.8 57
+//
diff --git a/Eawag/MSBNK-EAWAG-EC064207.txt b/Eawag/MSBNK-EAWAG-EC064207.txt
new file mode 100644
index 0000000000..960ebad637
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC064207.txt
@@ -0,0 +1,68 @@
+ACCESSION: MSBNK-EAWAG-EC064207
+RECORD_TITLE: Cyanopeptolin B; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 1
+COMMENT: CyanoMetDB_ID 642
+CH$NAME: Cyanopeptolin B
+CH$NAME: 4-[[(2S,5S,8S,11R,12S,15S)-15-(4-aminobutyl)-5-benzyl-21-hydroxy-4,11-dimethyl-2-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-3-(hexanoylamino)-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C46H72N8O12
+CH$EXACT_MASS: 928.5269697
+CH$SMILES: CCCCCC(=O)NC(CC(=O)O)C(=O)N[C@H]1[C@H](OC(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](N2C(CCC(C2=O)NC(=O)[C@@H](NC1=O)CCCCN)O)CC(C)C)C)CC3=CC=CC=C3)C(C)C)C
+CH$IUPAC: InChI=1S/C46H72N8O12/c1-8-9-11-19-35(55)48-32(25-37(57)58)41(60)52-39-28(6)66-46(65)38(27(4)5)51-42(61)33(24-29-16-12-10-13-17-29)53(7)45(64)34(23-26(2)3)54-36(56)21-20-31(44(54)63)50-40(59)30(49-43(39)62)18-14-15-22-47/h10,12-13,16-17,26-28,30-34,36,38-39,56H,8-9,11,14-15,18-25,47H2,1-7H3,(H,48,55)(H,49,62)(H,50,59)(H,51,61)(H,52,60)(H,57,58)/t28-,30+,31?,32?,33+,34+,36?,38+,39+/m1/s1
+CH$LINK: PUBCHEM CID:139291933
+CH$LINK: INCHIKEY KSVGOBQTQGOLQM-PLGRJYAQSA-N
+CH$LINK: CHEMSPIDER 78437037
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-969
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.769 min
+MS$FOCUSED_ION: BASE_PEAK 957.5655
+MS$FOCUSED_ION: PRECURSOR_M/Z 929.5342
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-001r-9800000000-ff865206f3e631ac32dd
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  68.0494 C4H6N+ 1 68.0495 -0.49
+  72.0809 C4H10N+ 1 72.0808 1.12
+  74.0602 C3H8NO+ 1 74.06 1.55
+  84.0446 C4H6NO+ 1 84.0444 2.15
+  84.0808 C5H10N+ 1 84.0808 -0.04
+  86.0964 C5H12N+ 1 86.0964 -0.25
+  88.0393 C3H6NO2+ 1 88.0393 0.5
+  124.1119 C8H14N+ 1 124.1121 -1.57
+  129.1021 C6H13N2O+ 1 129.1022 -1.04
+  134.0963 C9H12N+ 1 134.0964 -0.82
+  136.1122 C9H14N+ 1 136.1121 0.62
+  153.1386 C9H17N2+ 1 153.1386 -0.41
+  181.1335 C10H17N2O+ 1 181.1335 -0.17
+PK$NUM_PEAK: 13
+PK$PEAK: m/z int. rel.int.
+  68.0494 226988.5 319
+  72.0809 37677.2 53
+  74.0602 18582.6 26
+  84.0446 21500.3 30
+  84.0808 275980.1 388
+  86.0964 623267.2 877
+  88.0393 72396.6 101
+  124.1119 133311.7 187
+  129.1021 98252.7 138
+  134.0963 709294.4 999
+  136.1122 62470.5 87
+  153.1386 144953.7 204
+  181.1335 123427.6 173
+//
diff --git a/Eawag/MSBNK-EAWAG-EC064208.txt b/Eawag/MSBNK-EAWAG-EC064208.txt
new file mode 100644
index 0000000000..38e02d7205
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC064208.txt
@@ -0,0 +1,74 @@
+ACCESSION: MSBNK-EAWAG-EC064208
+RECORD_TITLE: Cyanopeptolin B; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 1
+COMMENT: CyanoMetDB_ID 642
+CH$NAME: Cyanopeptolin B
+CH$NAME: 4-[[(2S,5S,8S,11R,12S,15S)-15-(4-aminobutyl)-5-benzyl-21-hydroxy-4,11-dimethyl-2-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-3-(hexanoylamino)-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C46H72N8O12
+CH$EXACT_MASS: 928.5269697
+CH$SMILES: CCCCCC(=O)NC(CC(=O)O)C(=O)N[C@H]1[C@H](OC(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](N2C(CCC(C2=O)NC(=O)[C@@H](NC1=O)CCCCN)O)CC(C)C)C)CC3=CC=CC=C3)C(C)C)C
+CH$IUPAC: InChI=1S/C46H72N8O12/c1-8-9-11-19-35(55)48-32(25-37(57)58)41(60)52-39-28(6)66-46(65)38(27(4)5)51-42(61)33(24-29-16-12-10-13-17-29)53(7)45(64)34(23-26(2)3)54-36(56)21-20-31(44(54)63)50-40(59)30(49-43(39)62)18-14-15-22-47/h10,12-13,16-17,26-28,30-34,36,38-39,56H,8-9,11,14-15,18-25,47H2,1-7H3,(H,48,55)(H,49,62)(H,50,59)(H,51,61)(H,52,60)(H,57,58)/t28-,30+,31?,32?,33+,34+,36?,38+,39+/m1/s1
+CH$LINK: PUBCHEM CID:139291933
+CH$LINK: INCHIKEY KSVGOBQTQGOLQM-PLGRJYAQSA-N
+CH$LINK: CHEMSPIDER 78437037
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-969
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.769 min
+MS$FOCUSED_ION: BASE_PEAK 957.5655
+MS$FOCUSED_ION: PRECURSOR_M/Z 929.5342
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-001r-9600000000-b11eb441c4a602bcad25
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  56.0496 C3H6N+ 1 56.0495 2.56
+  68.0494 C4H6N+ 1 68.0495 -0.49
+  72.0807 C4H10N+ 1 72.0808 -1.73
+  74.0601 C3H8NO+ 1 74.06 1.44
+  84.0445 C4H6NO+ 1 84.0444 0.78
+  84.0808 C5H10N+ 1 84.0808 -0.04
+  86.0964 C5H12N+ 1 86.0964 -0.61
+  88.0392 C3H6NO2+ 1 88.0393 -1.32
+  91.0544 C7H7+ 1 91.0542 1.48
+  105.07 C8H9+ 1 105.0699 1.31
+  119.073 C8H9N+ 1 119.073 0.64
+  124.112 C8H14N+ 1 124.1121 -0.89
+  129.1021 C6H13N2O+ 1 129.1022 -1.16
+  134.0963 C9H12N+ 1 134.0964 -1.05
+  136.112 C9H14N+ 1 136.1121 -0.5
+  153.1386 C9H17N2+ 1 153.1386 -0.21
+PK$NUM_PEAK: 16
+PK$PEAK: m/z int. rel.int.
+  56.0496 22671.1 36
+  68.0494 352452.4 572
+  72.0807 36504 59
+  74.0601 17277.9 28
+  84.0445 29608.2 48
+  84.0808 278471.6 452
+  86.0964 487064.4 791
+  88.0392 72816.7 118
+  91.0544 18819 30
+  105.07 10665 17
+  119.073 52305 85
+  124.112 169648.1 275
+  129.1021 54082.2 87
+  134.0963 614705.9 999
+  136.112 55652.8 90
+  153.1386 58578.5 95
+//
diff --git a/Eawag/MSBNK-EAWAG-EC064209.txt b/Eawag/MSBNK-EAWAG-EC064209.txt
new file mode 100644
index 0000000000..05b7ac7341
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC064209.txt
@@ -0,0 +1,76 @@
+ACCESSION: MSBNK-EAWAG-EC064209
+RECORD_TITLE: Cyanopeptolin B; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 1
+COMMENT: CyanoMetDB_ID 642
+CH$NAME: Cyanopeptolin B
+CH$NAME: 4-[[(2S,5S,8S,11R,12S,15S)-15-(4-aminobutyl)-5-benzyl-21-hydroxy-4,11-dimethyl-2-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-3-(hexanoylamino)-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C46H72N8O12
+CH$EXACT_MASS: 928.5269697
+CH$SMILES: CCCCCC(=O)NC(CC(=O)O)C(=O)N[C@H]1[C@H](OC(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](N2C(CCC(C2=O)NC(=O)[C@@H](NC1=O)CCCCN)O)CC(C)C)C)CC3=CC=CC=C3)C(C)C)C
+CH$IUPAC: InChI=1S/C46H72N8O12/c1-8-9-11-19-35(55)48-32(25-37(57)58)41(60)52-39-28(6)66-46(65)38(27(4)5)51-42(61)33(24-29-16-12-10-13-17-29)53(7)45(64)34(23-26(2)3)54-36(56)21-20-31(44(54)63)50-40(59)30(49-43(39)62)18-14-15-22-47/h10,12-13,16-17,26-28,30-34,36,38-39,56H,8-9,11,14-15,18-25,47H2,1-7H3,(H,48,55)(H,49,62)(H,50,59)(H,51,61)(H,52,60)(H,57,58)/t28-,30+,31?,32?,33+,34+,36?,38+,39+/m1/s1
+CH$LINK: PUBCHEM CID:139291933
+CH$LINK: INCHIKEY KSVGOBQTQGOLQM-PLGRJYAQSA-N
+CH$LINK: CHEMSPIDER 78437037
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-969
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.769 min
+MS$FOCUSED_ION: BASE_PEAK 957.5655
+MS$FOCUSED_ION: PRECURSOR_M/Z 929.5342
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00m0-9500000000-782794c08affecd9c1e7
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  55.0544 C4H7+ 1 55.0542 3.23
+  56.0495 C3H6N+ 1 56.0495 -0.23
+  68.0494 C4H6N+ 1 68.0495 -0.94
+  70.065 C4H8N+ 1 70.0651 -1.5
+  72.0808 C4H10N+ 1 72.0808 0.49
+  80.0493 C5H6N+ 1 80.0495 -2.17
+  84.0444 C4H6NO+ 1 84.0444 0.15
+  84.0807 C5H10N+ 1 84.0808 -1.13
+  86.0963 C5H12N+ 1 86.0964 -1.4
+  88.0393 C3H6NO2+ 1 88.0393 -0.19
+  91.0541 C7H7+ 1 91.0542 -1.54
+  105.0701 C8H9+ 1 105.0699 1.89
+  119.0728 C8H9N+ 1 119.073 -1.03
+  124.1119 C8H14N+ 1 124.1121 -1.38
+  129.1022 C6H13N2O+ 1 129.1022 -0.1
+  134.0962 C9H12N+ 1 134.0964 -1.39
+  136.1116 C9H14N+ 1 136.1121 -3.75
+PK$NUM_PEAK: 17
+PK$PEAK: m/z int. rel.int.
+  55.0544 8545.5 18
+  56.0495 52398.9 115
+  68.0494 421417.3 931
+  70.065 25627.3 56
+  72.0808 45106 99
+  80.0493 36766.6 81
+  84.0444 29320.3 64
+  84.0807 294604.4 650
+  86.0963 324766.2 717
+  88.0393 84233.4 186
+  91.0541 47766.8 105
+  105.0701 32325.7 71
+  119.0728 95796.8 211
+  124.1119 131025.9 289
+  129.1022 42848.1 94
+  134.0962 452107 999
+  136.1116 58618.6 129
+//
diff --git a/Eawag/MSBNK-EAWAG-EC073301.txt b/Eawag/MSBNK-EAWAG-EC073301.txt
new file mode 100644
index 0000000000..73d234bb6f
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC073301.txt
@@ -0,0 +1,52 @@
+ACCESSION: MSBNK-EAWAG-EC073301
+RECORD_TITLE: [Met6] Nodulapeptin C; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1016/j.chembiol.2010.01.017
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 733
+CH$NAME: [Met6] Nodulapeptin C
+CH$NAME: 2-(3-(6-(4-hydroxyphenethyl)-7-methyl-3,12-bis(2-(methylthio)ethyl)-2,5,8,11,14-pentaoxo-9-phenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)-3-methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C44H65N7O9S2
+CH$EXACT_MASS: 899.4285187
+CH$SMILES: O=C(N(C(CCC1=CC=C(O)C=C1)C(NC(CCSC)C2=O)=O)C)C(NC(C(CCSC)NC(C(CCCCN2)NC(NC(C(CC)C)C(O)=O)=O)=O)=O)CCC3=CC=CC=C3
+CH$IUPAC: InChI=1S/C44H65N7O9S2/c1-6-28(2)37(43(58)59)50-44(60)49-32-14-10-11-25-45-38(53)33(23-26-61-4)47-41(56)36(22-18-30-15-19-31(52)20-16-30)51(3)42(57)35(21-17-29-12-8-7-9-13-29)48-40(55)34(24-27-62-5)46-39(32)54/h7-9,12-13,15-16,19-20,28,32-37,52H,6,10-11,14,17-18,21-27H2,1-5H3,(H,45,53)(H,46,54)(H,47,56)(H,48,55)(H,58,59)(H2,49,50,60)
+CH$LINK: PUBCHEM CID:146684826
+CH$LINK: INCHIKEY UVYPXLQJIYVPPA-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-939
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.300 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 900.4358
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0udi-0000000009-90e5cea89b5867a179ec
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  100.0494 CH4N6+ 1 100.0492 1.82
+  353.1846 C19H23N5O2+ 10 353.1846 -0.16
+  590.2999 C35H38N6O3+ 14 590.3 -0.14
+  608.3127 C31H48N2O8S+ 15 608.3126 0.24
+  900.4352 C44H66N7O9S2+ 1 900.4358 -0.62
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  100.0494 40266.5 48
+  353.1846 9821.3 11
+  590.2999 8718.2 10
+  608.3127 11797.1 14
+  900.4352 836870.1 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC073302.txt b/Eawag/MSBNK-EAWAG-EC073302.txt
new file mode 100644
index 0000000000..b7bf552356
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC073302.txt
@@ -0,0 +1,48 @@
+ACCESSION: MSBNK-EAWAG-EC073302
+RECORD_TITLE: [Met6] Nodulapeptin C; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1016/j.chembiol.2010.01.017
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 733
+CH$NAME: [Met6] Nodulapeptin C
+CH$NAME: 2-(3-(6-(4-hydroxyphenethyl)-7-methyl-3,12-bis(2-(methylthio)ethyl)-2,5,8,11,14-pentaoxo-9-phenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)-3-methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C44H65N7O9S2
+CH$EXACT_MASS: 899.4285187
+CH$SMILES: O=C(N(C(CCC1=CC=C(O)C=C1)C(NC(CCSC)C2=O)=O)C)C(NC(C(CCSC)NC(C(CCCCN2)NC(NC(C(CC)C)C(O)=O)=O)=O)=O)CCC3=CC=CC=C3
+CH$IUPAC: InChI=1S/C44H65N7O9S2/c1-6-28(2)37(43(58)59)50-44(60)49-32-14-10-11-25-45-38(53)33(23-26-61-4)47-41(56)36(22-18-30-15-19-31(52)20-16-30)51(3)42(57)35(21-17-29-12-8-7-9-13-29)48-40(55)34(24-27-62-5)46-39(32)54/h7-9,12-13,15-16,19-20,28,32-37,52H,6,10-11,14,17-18,21-27H2,1-5H3,(H,45,53)(H,46,54)(H,47,56)(H,48,55)(H,58,59)(H2,49,50,60)
+CH$LINK: PUBCHEM CID:146684826
+CH$LINK: INCHIKEY UVYPXLQJIYVPPA-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-939
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.300 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 900.4358
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0ue9-1000300009-4bcdc9532ca0032eba57
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  84.0807 C5H10N+ 1 84.0808 -1.31
+  484.2263 C26H34N3O4S+ 13 484.2265 -0.34
+  900.4359 C44H66N7O9S2+ 1 900.4358 0.13
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  84.0807 36776.8 145
+  484.2263 105192.7 416
+  900.4359 252090.8 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC073303.txt b/Eawag/MSBNK-EAWAG-EC073303.txt
new file mode 100644
index 0000000000..ef92dafb53
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC073303.txt
@@ -0,0 +1,60 @@
+ACCESSION: MSBNK-EAWAG-EC073303
+RECORD_TITLE: [Met6] Nodulapeptin C; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1016/j.chembiol.2010.01.017
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 733
+CH$NAME: [Met6] Nodulapeptin C
+CH$NAME: 2-(3-(6-(4-hydroxyphenethyl)-7-methyl-3,12-bis(2-(methylthio)ethyl)-2,5,8,11,14-pentaoxo-9-phenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)-3-methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C44H65N7O9S2
+CH$EXACT_MASS: 899.4285187
+CH$SMILES: O=C(N(C(CCC1=CC=C(O)C=C1)C(NC(CCSC)C2=O)=O)C)C(NC(C(CCSC)NC(C(CCCCN2)NC(NC(C(CC)C)C(O)=O)=O)=O)=O)CCC3=CC=CC=C3
+CH$IUPAC: InChI=1S/C44H65N7O9S2/c1-6-28(2)37(43(58)59)50-44(60)49-32-14-10-11-25-45-38(53)33(23-26-61-4)47-41(56)36(22-18-30-15-19-31(52)20-16-30)51(3)42(57)35(21-17-29-12-8-7-9-13-29)48-40(55)34(24-27-62-5)46-39(32)54/h7-9,12-13,15-16,19-20,28,32-37,52H,6,10-11,14,17-18,21-27H2,1-5H3,(H,45,53)(H,46,54)(H,47,56)(H,48,55)(H,58,59)(H2,49,50,60)
+CH$LINK: PUBCHEM CID:146684826
+CH$LINK: INCHIKEY UVYPXLQJIYVPPA-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-939
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.300 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 900.4358
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-008a-3317900000-8230daed5d89a9e5f4a0
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  84.0808 C5H10N+ 1 84.0808 0.05
+  164.1071 C10H14NO+ 3 164.107 0.9
+  215.1215 C10H19N2OS+ 5 215.1213 0.89
+  295.1475 C15H23N2O2S+ 7 295.1475 -0.07
+  323.1426 C16H23N2O3S+ 8 323.1424 0.51
+  353.1862 C7H35N3O8S2+ 9 353.186 0.5
+  389.2221 C25H29N2O2+ 12 389.2224 -0.64
+  484.2267 C26H34N3O4S+ 14 484.2265 0.48
+  495.2276 C31H31N2O4+ 12 495.2278 -0.51
+PK$NUM_PEAK: 9
+PK$PEAK: m/z int. rel.int.
+  84.0808 122967.8 623
+  164.1071 147613.7 748
+  215.1215 38564.8 195
+  295.1475 25039.3 127
+  323.1426 196911 999
+  353.1862 78906.5 400
+  389.2221 17434 88
+  484.2267 187023.9 948
+  495.2276 146064.8 741
+//
diff --git a/Eawag/MSBNK-EAWAG-EC073304.txt b/Eawag/MSBNK-EAWAG-EC073304.txt
new file mode 100644
index 0000000000..1f072b7596
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC073304.txt
@@ -0,0 +1,62 @@
+ACCESSION: MSBNK-EAWAG-EC073304
+RECORD_TITLE: [Met6] Nodulapeptin C; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1016/j.chembiol.2010.01.017
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 733
+CH$NAME: [Met6] Nodulapeptin C
+CH$NAME: 2-(3-(6-(4-hydroxyphenethyl)-7-methyl-3,12-bis(2-(methylthio)ethyl)-2,5,8,11,14-pentaoxo-9-phenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)-3-methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C44H65N7O9S2
+CH$EXACT_MASS: 899.4285187
+CH$SMILES: O=C(N(C(CCC1=CC=C(O)C=C1)C(NC(CCSC)C2=O)=O)C)C(NC(C(CCSC)NC(C(CCCCN2)NC(NC(C(CC)C)C(O)=O)=O)=O)=O)CCC3=CC=CC=C3
+CH$IUPAC: InChI=1S/C44H65N7O9S2/c1-6-28(2)37(43(58)59)50-44(60)49-32-14-10-11-25-45-38(53)33(23-26-61-4)47-41(56)36(22-18-30-15-19-31(52)20-16-30)51(3)42(57)35(21-17-29-12-8-7-9-13-29)48-40(55)34(24-27-62-5)46-39(32)54/h7-9,12-13,15-16,19-20,28,32-37,52H,6,10-11,14,17-18,21-27H2,1-5H3,(H,45,53)(H,46,54)(H,47,56)(H,48,55)(H,58,59)(H2,49,50,60)
+CH$LINK: PUBCHEM CID:146684826
+CH$LINK: INCHIKEY UVYPXLQJIYVPPA-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-939
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.300 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 900.4358
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-03l0-5946000000-a8aaa59c8fbc89ff2658
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  84.0808 C5H10N+ 1 84.0808 -0.13
+  164.107 C10H14NO+ 3 164.107 0.07
+  192.1025 C11H14NO2+ 3 192.1019 3.2
+  215.1216 C10H19N2OS+ 5 215.1213 1.45
+  293.1321 C7H25N4O4S2+ 6 293.1312 3.06
+  295.1473 C15H23N2O2S+ 8 295.1475 -0.49
+  304.1327 C4H26N5O6S2+ 10 304.1319 2.7
+  323.1425 C16H23N2O3S+ 8 323.1424 0.32
+  353.1862 C7H35N3O8S2+ 9 353.186 0.5
+  419.2124 C21H31N4O3S+ 11 419.2111 2.9
+PK$NUM_PEAK: 10
+PK$PEAK: m/z int. rel.int.
+  84.0808 243660.8 625
+  164.107 389450.8 999
+  192.1025 26852.7 68
+  215.1216 64467.9 165
+  293.1321 28492.4 73
+  295.1473 103963.8 266
+  304.1327 29192.6 74
+  323.1425 219042.7 561
+  353.1862 52998.1 135
+  419.2124 40390.8 103
+//
diff --git a/Eawag/MSBNK-EAWAG-EC073305.txt b/Eawag/MSBNK-EAWAG-EC073305.txt
new file mode 100644
index 0000000000..22b209b17b
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC073305.txt
@@ -0,0 +1,70 @@
+ACCESSION: MSBNK-EAWAG-EC073305
+RECORD_TITLE: [Met6] Nodulapeptin C; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1016/j.chembiol.2010.01.017
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 733
+CH$NAME: [Met6] Nodulapeptin C
+CH$NAME: 2-(3-(6-(4-hydroxyphenethyl)-7-methyl-3,12-bis(2-(methylthio)ethyl)-2,5,8,11,14-pentaoxo-9-phenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)-3-methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C44H65N7O9S2
+CH$EXACT_MASS: 899.4285187
+CH$SMILES: O=C(N(C(CCC1=CC=C(O)C=C1)C(NC(CCSC)C2=O)=O)C)C(NC(C(CCSC)NC(C(CCCCN2)NC(NC(C(CC)C)C(O)=O)=O)=O)=O)CCC3=CC=CC=C3
+CH$IUPAC: InChI=1S/C44H65N7O9S2/c1-6-28(2)37(43(58)59)50-44(60)49-32-14-10-11-25-45-38(53)33(23-26-61-4)47-41(56)36(22-18-30-15-19-31(52)20-16-30)51(3)42(57)35(21-17-29-12-8-7-9-13-29)48-40(55)34(24-27-62-5)46-39(32)54/h7-9,12-13,15-16,19-20,28,32-37,52H,6,10-11,14,17-18,21-27H2,1-5H3,(H,45,53)(H,46,54)(H,47,56)(H,48,55)(H,58,59)(H2,49,50,60)
+CH$LINK: PUBCHEM CID:146684826
+CH$LINK: INCHIKEY UVYPXLQJIYVPPA-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-939
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.300 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 900.4358
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-03e9-3911000000-83975019991d22e73807
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  56.0495 C3H6N+ 1 56.0495 0.27
+  58.0651 C3H8N+ 1 58.0651 -0.54
+  84.0808 C5H10N+ 1 84.0808 -0.22
+  104.0529 C4H10NS+ 1 104.0528 0.25
+  107.0491 C7H7O+ 1 107.0491 -0.66
+  129.1024 C6H13N2O+ 2 129.1022 1.5
+  133.065 C9H9O+ 1 133.0648 1.3
+  164.1069 C10H14NO+ 3 164.107 -0.77
+  192.1016 C11H14NO2+ 2 192.1019 -1.57
+  265.1369 C6H25N4O3S2+ 6 265.1363 2.47
+  295.1472 C15H23N2O2S+ 8 295.1475 -0.9
+  304.1329 C4H26N5O6S2+ 9 304.1319 3.2
+  341.1633 C21H19N5+ 9 341.1635 -0.57
+  389.2223 C25H29N2O2+ 13 389.2224 -0.17
+PK$NUM_PEAK: 14
+PK$PEAK: m/z int. rel.int.
+  56.0495 24136.5 32
+  58.0651 86238.5 115
+  84.0808 421550.7 564
+  104.0529 106729.7 142
+  107.0491 245484.4 328
+  129.1024 63516.5 85
+  133.065 34019.2 45
+  164.1069 746476.5 999
+  192.1016 21075.1 28
+  265.1369 107444.5 143
+  295.1472 128032.3 171
+  304.1329 131532.2 176
+  341.1633 48413.9 64
+  389.2223 36258 48
+//
diff --git a/Eawag/MSBNK-EAWAG-EC073306.txt b/Eawag/MSBNK-EAWAG-EC073306.txt
new file mode 100644
index 0000000000..fc26f72eaa
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC073306.txt
@@ -0,0 +1,74 @@
+ACCESSION: MSBNK-EAWAG-EC073306
+RECORD_TITLE: [Met6] Nodulapeptin C; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1016/j.chembiol.2010.01.017
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 733
+CH$NAME: [Met6] Nodulapeptin C
+CH$NAME: 2-(3-(6-(4-hydroxyphenethyl)-7-methyl-3,12-bis(2-(methylthio)ethyl)-2,5,8,11,14-pentaoxo-9-phenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)-3-methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C44H65N7O9S2
+CH$EXACT_MASS: 899.4285187
+CH$SMILES: O=C(N(C(CCC1=CC=C(O)C=C1)C(NC(CCSC)C2=O)=O)C)C(NC(C(CCSC)NC(C(CCCCN2)NC(NC(C(CC)C)C(O)=O)=O)=O)=O)CCC3=CC=CC=C3
+CH$IUPAC: InChI=1S/C44H65N7O9S2/c1-6-28(2)37(43(58)59)50-44(60)49-32-14-10-11-25-45-38(53)33(23-26-61-4)47-41(56)36(22-18-30-15-19-31(52)20-16-30)51(3)42(57)35(21-17-29-12-8-7-9-13-29)48-40(55)34(24-27-62-5)46-39(32)54/h7-9,12-13,15-16,19-20,28,32-37,52H,6,10-11,14,17-18,21-27H2,1-5H3,(H,45,53)(H,46,54)(H,47,56)(H,48,55)(H,58,59)(H2,49,50,60)
+CH$LINK: PUBCHEM CID:146684826
+CH$LINK: INCHIKEY UVYPXLQJIYVPPA-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-939
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.300 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 900.4358
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0bu0-4900000000-2be0e464fb98c1d22fb8
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  56.0494 C3H6N+ 1 56.0495 -0.82
+  58.0651 C3H8N+ 1 58.0651 -0.15
+  61.0107 C2H5S+ 1 61.0106 0.15
+  84.0808 C5H10N+ 1 84.0808 -0.04
+  86.0966 C5H12N+ 1 86.0964 1.89
+  104.0528 C4H10NS+ 1 104.0528 -0.56
+  107.0491 C7H7O+ 1 107.0491 -0.31
+  117.0698 C9H9+ 2 117.0699 -0.77
+  129.1022 C6H13N2O+ 1 129.1022 -0.03
+  133.0646 C9H9O+ 2 133.0648 -1.34
+  134.0962 C9H12N+ 2 134.0964 -1.4
+  164.1069 C10H14NO+ 3 164.107 -0.58
+  173.0924 C7H13N2O3+ 2 173.0921 1.72
+  238.1181 C11H16N3O3+ 3 238.1186 -2.1
+  265.1369 C6H25N4O3S2+ 7 265.1363 2.36
+  304.1324 C4H26N5O6S2+ 10 304.1319 1.8
+PK$NUM_PEAK: 16
+PK$PEAK: m/z int. rel.int.
+  56.0494 66234.1 112
+  58.0651 189295.8 321
+  61.0107 28960.6 49
+  84.0808 495346.5 842
+  86.0966 30397.3 51
+  104.0528 210880.5 358
+  107.0491 574305.8 976
+  117.0698 35783 60
+  129.1022 91438.5 155
+  133.0646 28254.3 48
+  134.0962 51376.9 87
+  164.1069 587605.4 999
+  173.0924 25210.8 42
+  238.1181 70791.1 120
+  265.1369 38356 65
+  304.1324 64722.1 110
+//
diff --git a/Eawag/MSBNK-EAWAG-EC073307.txt b/Eawag/MSBNK-EAWAG-EC073307.txt
new file mode 100644
index 0000000000..ee01af0e22
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC073307.txt
@@ -0,0 +1,74 @@
+ACCESSION: MSBNK-EAWAG-EC073307
+RECORD_TITLE: [Met6] Nodulapeptin C; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1016/j.chembiol.2010.01.017
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 733
+CH$NAME: [Met6] Nodulapeptin C
+CH$NAME: 2-(3-(6-(4-hydroxyphenethyl)-7-methyl-3,12-bis(2-(methylthio)ethyl)-2,5,8,11,14-pentaoxo-9-phenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)-3-methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C44H65N7O9S2
+CH$EXACT_MASS: 899.4285187
+CH$SMILES: O=C(N(C(CCC1=CC=C(O)C=C1)C(NC(CCSC)C2=O)=O)C)C(NC(C(CCSC)NC(C(CCCCN2)NC(NC(C(CC)C)C(O)=O)=O)=O)=O)CCC3=CC=CC=C3
+CH$IUPAC: InChI=1S/C44H65N7O9S2/c1-6-28(2)37(43(58)59)50-44(60)49-32-14-10-11-25-45-38(53)33(23-26-61-4)47-41(56)36(22-18-30-15-19-31(52)20-16-30)51(3)42(57)35(21-17-29-12-8-7-9-13-29)48-40(55)34(24-27-62-5)46-39(32)54/h7-9,12-13,15-16,19-20,28,32-37,52H,6,10-11,14,17-18,21-27H2,1-5H3,(H,45,53)(H,46,54)(H,47,56)(H,48,55)(H,58,59)(H2,49,50,60)
+CH$LINK: PUBCHEM CID:146684826
+CH$LINK: INCHIKEY UVYPXLQJIYVPPA-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-939
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.300 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 900.4358
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0a4i-6900000000-55b77f416d17869fc971
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  56.0494 C3H6N+ 1 56.0495 -0.75
+  58.0651 C3H8N+ 1 58.0651 -0.81
+  61.0106 C2H5S+ 1 61.0106 -1.22
+  84.0808 C5H10N+ 1 84.0808 0.05
+  86.0966 C5H12N+ 1 86.0964 1.45
+  91.0541 C7H7+ 1 91.0542 -1.57
+  104.0528 C4H10NS+ 1 104.0528 0.03
+  107.0491 C7H7O+ 1 107.0491 -0.38
+  117.0699 C9H9+ 1 117.0699 0.4
+  129.1021 C6H13N2O+ 1 129.1022 -0.86
+  134.0963 C9H12N+ 2 134.0964 -0.71
+  164.1069 C10H14NO+ 3 164.107 -0.77
+  173.092 C7H13N2O3+ 2 173.0921 -0.13
+  210.1241 C4H22N2O5S+ 3 210.1244 -1.3
+  238.1185 C11H16N3O3+ 3 238.1186 -0.31
+  256.1289 C11H18N3O4+ 5 256.1292 -0.94
+PK$NUM_PEAK: 16
+PK$PEAK: m/z int. rel.int.
+  56.0494 124877.1 159
+  58.0651 224844.3 286
+  61.0106 78381.2 99
+  84.0808 512290.3 653
+  86.0966 36860.7 46
+  91.0541 46442.3 59
+  104.0528 226988 289
+  107.0491 783581.4 999
+  117.0699 51021.5 65
+  129.1021 78148 99
+  134.0963 59778 76
+  164.1069 284882.7 363
+  173.092 32161.2 41
+  210.1241 31552.1 40
+  238.1185 50368.1 64
+  256.1289 32271.6 41
+//
diff --git a/Eawag/MSBNK-EAWAG-EC073308.txt b/Eawag/MSBNK-EAWAG-EC073308.txt
new file mode 100644
index 0000000000..cdad03ca91
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC073308.txt
@@ -0,0 +1,72 @@
+ACCESSION: MSBNK-EAWAG-EC073308
+RECORD_TITLE: [Met6] Nodulapeptin C; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1016/j.chembiol.2010.01.017
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 733
+CH$NAME: [Met6] Nodulapeptin C
+CH$NAME: 2-(3-(6-(4-hydroxyphenethyl)-7-methyl-3,12-bis(2-(methylthio)ethyl)-2,5,8,11,14-pentaoxo-9-phenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)-3-methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C44H65N7O9S2
+CH$EXACT_MASS: 899.4285187
+CH$SMILES: O=C(N(C(CCC1=CC=C(O)C=C1)C(NC(CCSC)C2=O)=O)C)C(NC(C(CCSC)NC(C(CCCCN2)NC(NC(C(CC)C)C(O)=O)=O)=O)=O)CCC3=CC=CC=C3
+CH$IUPAC: InChI=1S/C44H65N7O9S2/c1-6-28(2)37(43(58)59)50-44(60)49-32-14-10-11-25-45-38(53)33(23-26-61-4)47-41(56)36(22-18-30-15-19-31(52)20-16-30)51(3)42(57)35(21-17-29-12-8-7-9-13-29)48-40(55)34(24-27-62-5)46-39(32)54/h7-9,12-13,15-16,19-20,28,32-37,52H,6,10-11,14,17-18,21-27H2,1-5H3,(H,45,53)(H,46,54)(H,47,56)(H,48,55)(H,58,59)(H2,49,50,60)
+CH$LINK: PUBCHEM CID:146684826
+CH$LINK: INCHIKEY UVYPXLQJIYVPPA-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-939
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.300 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 900.4358
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0a4i-8900000000-3926815b9d2d8dc3b2b5
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  56.0494 C3H6N+ 1 56.0495 -0.68
+  58.0651 C3H8N+ 1 58.0651 -0.67
+  61.0106 C2H5S+ 1 61.0106 -0.66
+  84.0807 C5H10N+ 1 84.0808 -0.4
+  86.0964 C5H12N+ 1 86.0964 0.03
+  89.0419 C4H9S+ 1 89.0419 -0.25
+  91.0543 C7H7+ 1 91.0542 0.28
+  104.0528 C4H10NS+ 1 104.0528 -0.34
+  107.0491 C7H7O+ 1 107.0491 -0.73
+  129.1019 C6H13N2O+ 1 129.1022 -2.4
+  134.0963 C9H12N+ 2 134.0964 -0.6
+  139.0864 C7H11N2O+ 1 139.0866 -1.26
+  155.0817 C7H11N2O2+ 2 155.0815 0.97
+  164.1067 C10H14NO+ 2 164.107 -1.51
+  238.1185 C11H16N3O3+ 3 238.1186 -0.31
+PK$NUM_PEAK: 15
+PK$PEAK: m/z int. rel.int.
+  56.0494 240805.3 205
+  58.0651 230525.5 197
+  61.0106 173462.5 148
+  84.0807 671622.2 574
+  86.0964 48112.1 41
+  89.0419 18011.7 15
+  91.0543 94891.8 81
+  104.0528 165695.7 141
+  107.0491 1168898.4 999
+  129.1019 59037.5 50
+  134.0963 34457.9 29
+  139.0864 29870.9 25
+  155.0817 24704.7 21
+  164.1067 106904.1 91
+  238.1185 31868.2 27
+//
diff --git a/Eawag/MSBNK-EAWAG-EC073309.txt b/Eawag/MSBNK-EAWAG-EC073309.txt
new file mode 100644
index 0000000000..ec8aa10ab4
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC073309.txt
@@ -0,0 +1,66 @@
+ACCESSION: MSBNK-EAWAG-EC073309
+RECORD_TITLE: [Met6] Nodulapeptin C; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1016/j.chembiol.2010.01.017
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 733
+CH$NAME: [Met6] Nodulapeptin C
+CH$NAME: 2-(3-(6-(4-hydroxyphenethyl)-7-methyl-3,12-bis(2-(methylthio)ethyl)-2,5,8,11,14-pentaoxo-9-phenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)-3-methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C44H65N7O9S2
+CH$EXACT_MASS: 899.4285187
+CH$SMILES: O=C(N(C(CCC1=CC=C(O)C=C1)C(NC(CCSC)C2=O)=O)C)C(NC(C(CCSC)NC(C(CCCCN2)NC(NC(C(CC)C)C(O)=O)=O)=O)=O)CCC3=CC=CC=C3
+CH$IUPAC: InChI=1S/C44H65N7O9S2/c1-6-28(2)37(43(58)59)50-44(60)49-32-14-10-11-25-45-38(53)33(23-26-61-4)47-41(56)36(22-18-30-15-19-31(52)20-16-30)51(3)42(57)35(21-17-29-12-8-7-9-13-29)48-40(55)34(24-27-62-5)46-39(32)54/h7-9,12-13,15-16,19-20,28,32-37,52H,6,10-11,14,17-18,21-27H2,1-5H3,(H,45,53)(H,46,54)(H,47,56)(H,48,55)(H,58,59)(H2,49,50,60)
+CH$LINK: PUBCHEM CID:146684826
+CH$LINK: INCHIKEY UVYPXLQJIYVPPA-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-939
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.300 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 900.4358
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0a4i-9700000000-ca68f3ff457dea863c75
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  56.0495 C3H6N+ 1 56.0495 -0.41
+  58.0651 C3H8N+ 1 58.0651 -0.87
+  61.0106 C2H5S+ 1 61.0106 -0.97
+  82.0653 C5H8N+ 1 82.0651 2.03
+  84.0807 C5H10N+ 1 84.0808 -0.67
+  86.0962 C5H12N+ 1 86.0964 -2.19
+  91.0541 C7H7+ 1 91.0542 -0.98
+  104.0527 C4H10NS+ 1 104.0528 -1.22
+  107.049 C7H7O+ 1 107.0491 -0.95
+  117.0699 C9H9+ 1 117.0699 -0.18
+  129.1022 C6H13N2O+ 1 129.1022 -0.39
+  139.0863 C7H11N2O+ 1 139.0866 -1.81
+PK$NUM_PEAK: 12
+PK$PEAK: m/z int. rel.int.
+  56.0495 230594.5 196
+  58.0651 192617 163
+  61.0106 251359.5 213
+  82.0653 23309.6 19
+  84.0807 723828.1 615
+  86.0962 38453.9 32
+  91.0541 143418.3 122
+  104.0527 88657.4 75
+  107.049 1174305.5 999
+  117.0699 51474 43
+  129.1022 30211.9 25
+  139.0863 31712.5 26
+//
diff --git a/Eawag/MSBNK-EAWAG-EC073351.txt b/Eawag/MSBNK-EAWAG-EC073351.txt
new file mode 100644
index 0000000000..08451bbc62
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC073351.txt
@@ -0,0 +1,48 @@
+ACCESSION: MSBNK-EAWAG-EC073351
+RECORD_TITLE: [Met6] Nodulapeptin C; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M-H]-; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1016/j.chembiol.2010.01.017
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 733
+CH$NAME: [Met6] Nodulapeptin C
+CH$NAME: 2-(3-(6-(4-hydroxyphenethyl)-7-methyl-3,12-bis(2-(methylthio)ethyl)-2,5,8,11,14-pentaoxo-9-phenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)-3-methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C44H65N7O9S2
+CH$EXACT_MASS: 899.4285187
+CH$SMILES: O=C(N(C(CCC1=CC=C(O)C=C1)C(NC(CCSC)C2=O)=O)C)C(NC(C(CCSC)NC(C(CCCCN2)NC(NC(C(CC)C)C(O)=O)=O)=O)=O)CCC3=CC=CC=C3
+CH$IUPAC: InChI=1S/C44H65N7O9S2/c1-6-28(2)37(43(58)59)50-44(60)49-32-14-10-11-25-45-38(53)33(23-26-61-4)47-41(56)36(22-18-30-15-19-31(52)20-16-30)51(3)42(57)35(21-17-29-12-8-7-9-13-29)48-40(55)34(24-27-62-5)46-39(32)54/h7-9,12-13,15-16,19-20,28,32-37,52H,6,10-11,14,17-18,21-27H2,1-5H3,(H,45,53)(H,46,54)(H,47,56)(H,48,55)(H,58,59)(H2,49,50,60)
+CH$LINK: PUBCHEM CID:146684826
+CH$LINK: INCHIKEY UVYPXLQJIYVPPA-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-937
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.314 min
+MS$FOCUSED_ION: BASE_PEAK 898.4226
+MS$FOCUSED_ION: PRECURSOR_M/Z 898.4212
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-014i-0000000910-6cda844dade026fd2cf3
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  767.3267 C38H51N6O7S2- 8 767.3266 0.16
+  768.3294 C44H44N6O7- 5 768.3277 2.17
+  880.4107 C44H62N7O8S2- 1 880.4107 0.01
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  767.3267 829924.6 999
+  768.3294 47072.9 56
+  880.4107 183369.8 220
+//
diff --git a/Eawag/MSBNK-EAWAG-EC073352.txt b/Eawag/MSBNK-EAWAG-EC073352.txt
new file mode 100644
index 0000000000..b47297432b
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC073352.txt
@@ -0,0 +1,46 @@
+ACCESSION: MSBNK-EAWAG-EC073352
+RECORD_TITLE: [Met6] Nodulapeptin C; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M-H]-; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1016/j.chembiol.2010.01.017
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 733
+CH$NAME: [Met6] Nodulapeptin C
+CH$NAME: 2-(3-(6-(4-hydroxyphenethyl)-7-methyl-3,12-bis(2-(methylthio)ethyl)-2,5,8,11,14-pentaoxo-9-phenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)-3-methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C44H65N7O9S2
+CH$EXACT_MASS: 899.4285187
+CH$SMILES: O=C(N(C(CCC1=CC=C(O)C=C1)C(NC(CCSC)C2=O)=O)C)C(NC(C(CCSC)NC(C(CCCCN2)NC(NC(C(CC)C)C(O)=O)=O)=O)=O)CCC3=CC=CC=C3
+CH$IUPAC: InChI=1S/C44H65N7O9S2/c1-6-28(2)37(43(58)59)50-44(60)49-32-14-10-11-25-45-38(53)33(23-26-61-4)47-41(56)36(22-18-30-15-19-31(52)20-16-30)51(3)42(57)35(21-17-29-12-8-7-9-13-29)48-40(55)34(24-27-62-5)46-39(32)54/h7-9,12-13,15-16,19-20,28,32-37,52H,6,10-11,14,17-18,21-27H2,1-5H3,(H,45,53)(H,46,54)(H,47,56)(H,48,55)(H,58,59)(H2,49,50,60)
+CH$LINK: PUBCHEM CID:146684826
+CH$LINK: INCHIKEY UVYPXLQJIYVPPA-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-937
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.314 min
+MS$FOCUSED_ION: BASE_PEAK 898.4226
+MS$FOCUSED_ION: PRECURSOR_M/Z 898.4212
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-014i-0000000910-2b296c7e18afcb3ae881
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  767.327 C38H51N6O7S2- 9 767.3266 0.56
+  880.4114 C44H62N7O8S2- 1 880.4107 0.84
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  767.327 927199.9 999
+  880.4114 182251.4 196
+//
diff --git a/Eawag/MSBNK-EAWAG-EC073353.txt b/Eawag/MSBNK-EAWAG-EC073353.txt
new file mode 100644
index 0000000000..fa696865a7
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC073353.txt
@@ -0,0 +1,48 @@
+ACCESSION: MSBNK-EAWAG-EC073353
+RECORD_TITLE: [Met6] Nodulapeptin C; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M-H]-; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1016/j.chembiol.2010.01.017
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 733
+CH$NAME: [Met6] Nodulapeptin C
+CH$NAME: 2-(3-(6-(4-hydroxyphenethyl)-7-methyl-3,12-bis(2-(methylthio)ethyl)-2,5,8,11,14-pentaoxo-9-phenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)-3-methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C44H65N7O9S2
+CH$EXACT_MASS: 899.4285187
+CH$SMILES: O=C(N(C(CCC1=CC=C(O)C=C1)C(NC(CCSC)C2=O)=O)C)C(NC(C(CCSC)NC(C(CCCCN2)NC(NC(C(CC)C)C(O)=O)=O)=O)=O)CCC3=CC=CC=C3
+CH$IUPAC: InChI=1S/C44H65N7O9S2/c1-6-28(2)37(43(58)59)50-44(60)49-32-14-10-11-25-45-38(53)33(23-26-61-4)47-41(56)36(22-18-30-15-19-31(52)20-16-30)51(3)42(57)35(21-17-29-12-8-7-9-13-29)48-40(55)34(24-27-62-5)46-39(32)54/h7-9,12-13,15-16,19-20,28,32-37,52H,6,10-11,14,17-18,21-27H2,1-5H3,(H,45,53)(H,46,54)(H,47,56)(H,48,55)(H,58,59)(H2,49,50,60)
+CH$LINK: PUBCHEM CID:146684826
+CH$LINK: INCHIKEY UVYPXLQJIYVPPA-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-937
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.314 min
+MS$FOCUSED_ION: BASE_PEAK 898.4226
+MS$FOCUSED_ION: PRECURSOR_M/Z 898.4212
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-014i-0000100910-b894502ff498e681a02a
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  492.2285 C29H36N2OS2- 12 492.2275 2.11
+  767.3266 C38H51N6O7S2- 8 767.3266 0
+  880.4094 C44H62N7O8S2- 1 880.4107 -1.45
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  492.2285 106158.7 134
+  767.3266 791363.6 999
+  880.4094 127695.6 161
+//
diff --git a/Eawag/MSBNK-EAWAG-EC073354.txt b/Eawag/MSBNK-EAWAG-EC073354.txt
new file mode 100644
index 0000000000..69141a66f6
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC073354.txt
@@ -0,0 +1,48 @@
+ACCESSION: MSBNK-EAWAG-EC073354
+RECORD_TITLE: [Met6] Nodulapeptin C; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M-H]-; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1016/j.chembiol.2010.01.017
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 733
+CH$NAME: [Met6] Nodulapeptin C
+CH$NAME: 2-(3-(6-(4-hydroxyphenethyl)-7-methyl-3,12-bis(2-(methylthio)ethyl)-2,5,8,11,14-pentaoxo-9-phenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)-3-methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C44H65N7O9S2
+CH$EXACT_MASS: 899.4285187
+CH$SMILES: O=C(N(C(CCC1=CC=C(O)C=C1)C(NC(CCSC)C2=O)=O)C)C(NC(C(CCSC)NC(C(CCCCN2)NC(NC(C(CC)C)C(O)=O)=O)=O)=O)CCC3=CC=CC=C3
+CH$IUPAC: InChI=1S/C44H65N7O9S2/c1-6-28(2)37(43(58)59)50-44(60)49-32-14-10-11-25-45-38(53)33(23-26-61-4)47-41(56)36(22-18-30-15-19-31(52)20-16-30)51(3)42(57)35(21-17-29-12-8-7-9-13-29)48-40(55)34(24-27-62-5)46-39(32)54/h7-9,12-13,15-16,19-20,28,32-37,52H,6,10-11,14,17-18,21-27H2,1-5H3,(H,45,53)(H,46,54)(H,47,56)(H,48,55)(H,58,59)(H2,49,50,60)
+CH$LINK: PUBCHEM CID:146684826
+CH$LINK: INCHIKEY UVYPXLQJIYVPPA-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-937
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.314 min
+MS$FOCUSED_ION: BASE_PEAK 898.4226
+MS$FOCUSED_ION: PRECURSOR_M/Z 898.4212
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-014l-0000600900-b681033983f4be2706b7
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  445.1917 C30H25N2O2- 12 445.1922 -0.99
+  492.228 C29H36N2OS2- 11 492.2275 1.12
+  767.3264 C38H51N6O7S2- 8 767.3266 -0.32
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  445.1917 34240.4 94
+  492.228 244435 674
+  767.3264 362064 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC073355.txt b/Eawag/MSBNK-EAWAG-EC073355.txt
new file mode 100644
index 0000000000..081bbb71a5
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC073355.txt
@@ -0,0 +1,50 @@
+ACCESSION: MSBNK-EAWAG-EC073355
+RECORD_TITLE: [Met6] Nodulapeptin C; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M-H]-; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1016/j.chembiol.2010.01.017
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 733
+CH$NAME: [Met6] Nodulapeptin C
+CH$NAME: 2-(3-(6-(4-hydroxyphenethyl)-7-methyl-3,12-bis(2-(methylthio)ethyl)-2,5,8,11,14-pentaoxo-9-phenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)-3-methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C44H65N7O9S2
+CH$EXACT_MASS: 899.4285187
+CH$SMILES: O=C(N(C(CCC1=CC=C(O)C=C1)C(NC(CCSC)C2=O)=O)C)C(NC(C(CCSC)NC(C(CCCCN2)NC(NC(C(CC)C)C(O)=O)=O)=O)=O)CCC3=CC=CC=C3
+CH$IUPAC: InChI=1S/C44H65N7O9S2/c1-6-28(2)37(43(58)59)50-44(60)49-32-14-10-11-25-45-38(53)33(23-26-61-4)47-41(56)36(22-18-30-15-19-31(52)20-16-30)51(3)42(57)35(21-17-29-12-8-7-9-13-29)48-40(55)34(24-27-62-5)46-39(32)54/h7-9,12-13,15-16,19-20,28,32-37,52H,6,10-11,14,17-18,21-27H2,1-5H3,(H,45,53)(H,46,54)(H,47,56)(H,48,55)(H,58,59)(H2,49,50,60)
+CH$LINK: PUBCHEM CID:146684826
+CH$LINK: INCHIKEY UVYPXLQJIYVPPA-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-937
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.314 min
+MS$FOCUSED_ION: BASE_PEAK 898.4226
+MS$FOCUSED_ION: PRECURSOR_M/Z 898.4212
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-00di-0920000000-288960becb7023fe4d2b
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  130.0869 C6H12NO2- 1 130.0874 -3.8
+  155.0827 C7H11N2O2- 2 155.0826 0.8
+  173.0383 C6H9N2O2S- 2 173.039 -3.95
+  247.108 C5H19N4O5S- 6 247.1082 -0.5
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  130.0869 26908.8 399
+  155.0827 32615.9 484
+  173.0383 67256.6 999
+  247.108 28247.8 419
+//
diff --git a/Eawag/MSBNK-EAWAG-EC075001.txt b/Eawag/MSBNK-EAWAG-EC075001.txt
new file mode 100644
index 0000000000..05788ca7da
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC075001.txt
@@ -0,0 +1,46 @@
+ACCESSION: MSBNK-EAWAG-EC075001
+RECORD_TITLE: Nodulapeptin C; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1016/j.chembiol.2010.01.017
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 750
+CH$NAME: Nodulapeptin C
+CH$NAME: 2-(3-(3-(acetoxymethyl)-6-(4-hydroxyphenethyl)-7-methyl-12-(2-(methylthio)ethyl)-2,5,8,11,14-pentaoxo-9-phenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)-3-methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C44H63N7O11S
+CH$EXACT_MASS: 897.4306268
+CH$SMILES: O=C(N(C(CCC1=CC=C(O)C=C1)C(NC(COC(C)=O)C2=O)=O)C)C(NC(C(CCSC)NC(C(CCCCN2)NC(NC(C(CC)C)C(O)=O)=O)=O)=O)CCC3=CC=CC=C3
+CH$IUPAC: InChI=1S/C44H63N7O11S/c1-6-27(2)37(43(59)60)50-44(61)49-32-14-10-11-24-45-38(54)35(26-62-28(3)52)48-41(57)36(22-18-30-15-19-31(53)20-16-30)51(4)42(58)34(21-17-29-12-8-7-9-13-29)47-40(56)33(23-25-63-5)46-39(32)55/h7-9,12-13,15-16,19-20,27,32-37,53H,6,10-11,14,17-18,21-26H2,1-5H3,(H,45,54)(H,46,55)(H,47,56)(H,48,57)(H,59,60)(H2,49,50,61)
+CH$LINK: PUBCHEM CID:146684876
+CH$LINK: INCHIKEY XTDLZZLFKOTTLJ-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-937
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.747 min
+MS$FOCUSED_ION: BASE_PEAK 132.9582
+MS$FOCUSED_ION: PRECURSOR_M/Z 898.4379
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0002-0000000090-0a4f6a307d73873de247
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  838.4164 C44H62N4O10S+ 2 838.4181 -2.09
+  898.4383 C44H64N7O11S+ 1 898.4379 0.43
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  838.4164 335341.8 318
+  898.4383 1051900.8 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC075002.txt b/Eawag/MSBNK-EAWAG-EC075002.txt
new file mode 100644
index 0000000000..da92c9bb74
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC075002.txt
@@ -0,0 +1,58 @@
+ACCESSION: MSBNK-EAWAG-EC075002
+RECORD_TITLE: Nodulapeptin C; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1016/j.chembiol.2010.01.017
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 750
+CH$NAME: Nodulapeptin C
+CH$NAME: 2-(3-(3-(acetoxymethyl)-6-(4-hydroxyphenethyl)-7-methyl-12-(2-(methylthio)ethyl)-2,5,8,11,14-pentaoxo-9-phenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)-3-methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C44H63N7O11S
+CH$EXACT_MASS: 897.4306268
+CH$SMILES: O=C(N(C(CCC1=CC=C(O)C=C1)C(NC(COC(C)=O)C2=O)=O)C)C(NC(C(CCSC)NC(C(CCCCN2)NC(NC(C(CC)C)C(O)=O)=O)=O)=O)CCC3=CC=CC=C3
+CH$IUPAC: InChI=1S/C44H63N7O11S/c1-6-27(2)37(43(59)60)50-44(61)49-32-14-10-11-24-45-38(54)35(26-62-28(3)52)48-41(57)36(22-18-30-15-19-31(53)20-16-30)51(4)42(58)34(21-17-29-12-8-7-9-13-29)47-40(56)33(23-25-63-5)46-39(32)55/h7-9,12-13,15-16,19-20,27,32-37,53H,6,10-11,14,17-18,21-26H2,1-5H3,(H,45,54)(H,46,55)(H,47,56)(H,48,57)(H,59,60)(H2,49,50,61)
+CH$LINK: PUBCHEM CID:146684876
+CH$LINK: INCHIKEY XTDLZZLFKOTTLJ-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-937
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.747 min
+MS$FOCUSED_ION: BASE_PEAK 132.9582
+MS$FOCUSED_ION: PRECURSOR_M/Z 898.4379
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-001d-1004300790-858083216dec03a66bd5
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  84.0808 C5H10N+ 1 84.0808 -0.22
+  321.1454 C8H25N4O7S+ 6 321.1438 4.81
+  353.1869 C15H31NO6S+ 7 353.1867 0.82
+  484.2271 C34H30NO2+ 11 484.2271 -0.11
+  737.3532 C37H51N7O7S+ 9 737.3565 -4.55
+  741.3631 C43H47N7O5+ 9 741.3633 -0.28
+  838.4176 C44H62N4O10S+ 2 838.4181 -0.64
+  898.4401 C44H64N7O11S+ 1 898.4379 2.47
+PK$NUM_PEAK: 8
+PK$PEAK: m/z int. rel.int.
+  84.0808 63027 262
+  321.1454 122670.4 510
+  353.1869 90052.2 374
+  484.2271 165842.6 689
+  737.3532 165871.6 689
+  741.3631 209941.7 873
+  838.4176 204720.6 851
+  898.4401 240221.2 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC075003.txt b/Eawag/MSBNK-EAWAG-EC075003.txt
new file mode 100644
index 0000000000..a5b6fdc33a
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC075003.txt
@@ -0,0 +1,66 @@
+ACCESSION: MSBNK-EAWAG-EC075003
+RECORD_TITLE: Nodulapeptin C; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1016/j.chembiol.2010.01.017
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 750
+CH$NAME: Nodulapeptin C
+CH$NAME: 2-(3-(3-(acetoxymethyl)-6-(4-hydroxyphenethyl)-7-methyl-12-(2-(methylthio)ethyl)-2,5,8,11,14-pentaoxo-9-phenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)-3-methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C44H63N7O11S
+CH$EXACT_MASS: 897.4306268
+CH$SMILES: O=C(N(C(CCC1=CC=C(O)C=C1)C(NC(COC(C)=O)C2=O)=O)C)C(NC(C(CCSC)NC(C(CCCCN2)NC(NC(C(CC)C)C(O)=O)=O)=O)=O)CCC3=CC=CC=C3
+CH$IUPAC: InChI=1S/C44H63N7O11S/c1-6-27(2)37(43(59)60)50-44(61)49-32-14-10-11-24-45-38(54)35(26-62-28(3)52)48-41(57)36(22-18-30-15-19-31(53)20-16-30)51(4)42(58)34(21-17-29-12-8-7-9-13-29)47-40(56)33(23-25-63-5)46-39(32)55/h7-9,12-13,15-16,19-20,27,32-37,53H,6,10-11,14,17-18,21-26H2,1-5H3,(H,45,54)(H,46,55)(H,47,56)(H,48,57)(H,59,60)(H2,49,50,61)
+CH$LINK: PUBCHEM CID:146684876
+CH$LINK: INCHIKEY XTDLZZLFKOTTLJ-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-937
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.747 min
+MS$FOCUSED_ION: BASE_PEAK 132.9582
+MS$FOCUSED_ION: PRECURSOR_M/Z 898.4379
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-01x0-5928410200-4123b2b20daae75a1054
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  84.0808 C5H10N+ 1 84.0808 0.33
+  164.1069 C10H14NO+ 3 164.107 -0.58
+  192.1019 C3H18N3O4S+ 4 192.1013 3.33
+  195.1135 C10H15N2O2+ 2 195.1128 3.43
+  213.123 C2H21N4O5S+ 4 213.1227 1.43
+  220.0972 C4H18N3O5S+ 4 220.0962 4.57
+  321.1449 C8H25N4O7S+ 5 321.1438 3.29
+  353.1866 C15H31NO6S+ 6 353.1867 -0.04
+  369.2131 C17H29N4O5+ 7 369.2132 -0.31
+  484.2272 C34H30NO2+ 11 484.2271 0.14
+  516.2261 C30H32N2O6+ 8 516.2255 1.14
+  737.355 C37H51N7O7S+ 8 737.3565 -2.07
+PK$NUM_PEAK: 12
+PK$PEAK: m/z int. rel.int.
+  84.0808 256285.8 670
+  164.1069 381984.1 999
+  192.1019 30627.1 80
+  195.1135 30101.7 78
+  213.123 75471.6 197
+  220.0972 56519.8 147
+  321.1449 246400 644
+  353.1866 135896.8 355
+  369.2131 24079.5 62
+  484.2272 231422.7 605
+  516.2261 61238.7 160
+  737.355 134798.6 352
+//
diff --git a/Eawag/MSBNK-EAWAG-EC075004.txt b/Eawag/MSBNK-EAWAG-EC075004.txt
new file mode 100644
index 0000000000..3d53637035
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC075004.txt
@@ -0,0 +1,80 @@
+ACCESSION: MSBNK-EAWAG-EC075004
+RECORD_TITLE: Nodulapeptin C; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1016/j.chembiol.2010.01.017
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 750
+CH$NAME: Nodulapeptin C
+CH$NAME: 2-(3-(3-(acetoxymethyl)-6-(4-hydroxyphenethyl)-7-methyl-12-(2-(methylthio)ethyl)-2,5,8,11,14-pentaoxo-9-phenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)-3-methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C44H63N7O11S
+CH$EXACT_MASS: 897.4306268
+CH$SMILES: O=C(N(C(CCC1=CC=C(O)C=C1)C(NC(COC(C)=O)C2=O)=O)C)C(NC(C(CCSC)NC(C(CCCCN2)NC(NC(C(CC)C)C(O)=O)=O)=O)=O)CCC3=CC=CC=C3
+CH$IUPAC: InChI=1S/C44H63N7O11S/c1-6-27(2)37(43(59)60)50-44(61)49-32-14-10-11-24-45-38(54)35(26-62-28(3)52)48-41(57)36(22-18-30-15-19-31(53)20-16-30)51(4)42(58)34(21-17-29-12-8-7-9-13-29)47-40(56)33(23-25-63-5)46-39(32)55/h7-9,12-13,15-16,19-20,27,32-37,53H,6,10-11,14,17-18,21-26H2,1-5H3,(H,45,54)(H,46,55)(H,47,56)(H,48,57)(H,59,60)(H2,49,50,61)
+CH$LINK: PUBCHEM CID:146684876
+CH$LINK: INCHIKEY XTDLZZLFKOTTLJ-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-937
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.747 min
+MS$FOCUSED_ION: BASE_PEAK 132.9582
+MS$FOCUSED_ION: PRECURSOR_M/Z 898.4379
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-03e9-3922000000-b699a81b8908a52e3652
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  58.0651 C3H8N+ 1 58.0651 0.31
+  84.0808 C5H10N+ 1 84.0808 0.69
+  107.0491 C7H7O+ 1 107.0491 -0.59
+  129.1021 C6H13N2O+ 1 129.1022 -0.98
+  133.0648 C9H9O+ 1 133.0648 0.27
+  153.1024 C8H13N2O+ 2 153.1022 0.77
+  164.107 C10H14NO+ 3 164.107 -0.03
+  171.1132 C8H15N2O2+ 2 171.1128 2.11
+  192.1018 C3H18N3O4S+ 4 192.1013 2.78
+  195.1125 C10H15N2O2+ 2 195.1128 -1.5
+  213.1236 C10H17N2O3+ 3 213.1234 1.03
+  220.0964 C4H18N3O5S+ 3 220.0962 1.04
+  261.1231 C14H17N2O3+ 5 261.1234 -1.09
+  265.1365 C14H21N2OS+ 5 265.1369 -1.6
+  321.1451 C8H25N4O7S+ 6 321.1438 3.96
+  327.2022 C15H27N4O4+ 7 327.2027 -1.51
+  353.1868 C15H31NO6S+ 6 353.1867 0.39
+  355.1434 C15H23N4O4S+ 8 355.1435 -0.06
+  484.2271 C34H30NO2+ 11 484.2271 -0.04
+PK$NUM_PEAK: 19
+PK$PEAK: m/z int. rel.int.
+  58.0651 33518.7 32
+  84.0808 468542.6 450
+  107.0491 124600.1 119
+  129.1021 31523.7 30
+  133.0648 38634 37
+  153.1024 81163.3 77
+  164.107 1040107.4 999
+  171.1132 37875.3 36
+  192.1018 63025.2 60
+  195.1125 69097 66
+  213.1236 133061.3 127
+  220.0964 90758.2 87
+  261.1231 45940.9 44
+  265.1365 85623.7 82
+  321.1451 291423.9 279
+  327.2022 31036.1 29
+  353.1868 73507.5 70
+  355.1434 60126.4 57
+  484.2271 121274 116
+//
diff --git a/Eawag/MSBNK-EAWAG-EC075005.txt b/Eawag/MSBNK-EAWAG-EC075005.txt
new file mode 100644
index 0000000000..907b21e40b
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC075005.txt
@@ -0,0 +1,90 @@
+ACCESSION: MSBNK-EAWAG-EC075005
+RECORD_TITLE: Nodulapeptin C; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1016/j.chembiol.2010.01.017
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 750
+CH$NAME: Nodulapeptin C
+CH$NAME: 2-(3-(3-(acetoxymethyl)-6-(4-hydroxyphenethyl)-7-methyl-12-(2-(methylthio)ethyl)-2,5,8,11,14-pentaoxo-9-phenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)-3-methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C44H63N7O11S
+CH$EXACT_MASS: 897.4306268
+CH$SMILES: O=C(N(C(CCC1=CC=C(O)C=C1)C(NC(COC(C)=O)C2=O)=O)C)C(NC(C(CCSC)NC(C(CCCCN2)NC(NC(C(CC)C)C(O)=O)=O)=O)=O)CCC3=CC=CC=C3
+CH$IUPAC: InChI=1S/C44H63N7O11S/c1-6-27(2)37(43(59)60)50-44(61)49-32-14-10-11-24-45-38(54)35(26-62-28(3)52)48-41(57)36(22-18-30-15-19-31(53)20-16-30)51(4)42(58)34(21-17-29-12-8-7-9-13-29)47-40(56)33(23-25-63-5)46-39(32)55/h7-9,12-13,15-16,19-20,27,32-37,53H,6,10-11,14,17-18,21-26H2,1-5H3,(H,45,54)(H,46,55)(H,47,56)(H,48,57)(H,59,60)(H2,49,50,61)
+CH$LINK: PUBCHEM CID:146684876
+CH$LINK: INCHIKEY XTDLZZLFKOTTLJ-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-937
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.747 min
+MS$FOCUSED_ION: BASE_PEAK 132.9582
+MS$FOCUSED_ION: PRECURSOR_M/Z 898.4379
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-08gi-2920000000-f21c53e866445d7532c7
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  58.0652 C3H8N+ 1 58.0651 1.03
+  60.0443 C2H6NO+ 1 60.0444 -1.48
+  84.0808 C5H10N+ 1 84.0808 0.78
+  86.0965 C5H12N+ 1 86.0964 1.27
+  104.0528 C4H10NS+ 1 104.0528 -0.19
+  107.0492 C7H7O+ 1 107.0491 0.62
+  129.1026 C6H13N2O+ 2 129.1022 2.68
+  133.065 C9H9O+ 1 133.0648 1.41
+  134.0964 C9H12N+ 2 134.0964 -0.26
+  153.1022 C8H13N2O+ 3 153.1022 -0.02
+  164.107 C10H14NO+ 3 164.107 0.25
+  171.1127 C8H15N2O2+ 3 171.1128 -0.39
+  172.115 CH14N7O3+ 3 172.1153 -1.55
+  181.0972 C9H13N2O2+ 3 181.0972 0.27
+  192.1014 C3H18N3O4S+ 3 192.1013 0.79
+  195.113 C10H15N2O2+ 3 195.1128 1.01
+  230.1177 C14H16NO2+ 5 230.1176 0.41
+  238.119 C5H22N2O6S+ 4 238.1193 -1.22
+  242.1137 C10H16N3O4+ 5 242.1135 0.71
+  261.1229 C14H17N2O3+ 5 261.1234 -1.79
+  265.1367 C14H21N2OS+ 5 265.1369 -0.91
+  279.145 C13H19N4O3+ 5 279.1452 -0.46
+  284.1242 C12H18N3O5+ 6 284.1241 0.49
+  415.1654 C23H21N5O3+ 8 415.1639 3.75
+PK$NUM_PEAK: 24
+PK$PEAK: m/z int. rel.int.
+  58.0652 209648.9 140
+  60.0443 30595.6 20
+  84.0808 619700.3 415
+  86.0965 56037.7 37
+  104.0528 42851.3 28
+  107.0492 552102.2 370
+  129.1026 70644.3 47
+  133.065 47852 32
+  134.0964 77700.1 52
+  153.1022 208881.3 140
+  164.107 1490219.1 999
+  171.1127 120842.1 81
+  172.115 33244.1 22
+  181.0972 75543.1 50
+  192.1014 40326.5 27
+  195.113 154098.6 103
+  230.1177 36260.2 24
+  238.119 47793.8 32
+  242.1137 23866.4 15
+  261.1229 34393.8 23
+  265.1367 175284.5 117
+  279.145 63342.1 42
+  284.1242 299188.2 200
+  415.1654 29363.1 19
+//
diff --git a/Eawag/MSBNK-EAWAG-EC075006.txt b/Eawag/MSBNK-EAWAG-EC075006.txt
new file mode 100644
index 0000000000..89ddb503c0
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC075006.txt
@@ -0,0 +1,92 @@
+ACCESSION: MSBNK-EAWAG-EC075006
+RECORD_TITLE: Nodulapeptin C; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1016/j.chembiol.2010.01.017
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 750
+CH$NAME: Nodulapeptin C
+CH$NAME: 2-(3-(3-(acetoxymethyl)-6-(4-hydroxyphenethyl)-7-methyl-12-(2-(methylthio)ethyl)-2,5,8,11,14-pentaoxo-9-phenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)-3-methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C44H63N7O11S
+CH$EXACT_MASS: 897.4306268
+CH$SMILES: O=C(N(C(CCC1=CC=C(O)C=C1)C(NC(COC(C)=O)C2=O)=O)C)C(NC(C(CCSC)NC(C(CCCCN2)NC(NC(C(CC)C)C(O)=O)=O)=O)=O)CCC3=CC=CC=C3
+CH$IUPAC: InChI=1S/C44H63N7O11S/c1-6-27(2)37(43(59)60)50-44(61)49-32-14-10-11-24-45-38(54)35(26-62-28(3)52)48-41(57)36(22-18-30-15-19-31(53)20-16-30)51(4)42(58)34(21-17-29-12-8-7-9-13-29)47-40(56)33(23-25-63-5)46-39(32)55/h7-9,12-13,15-16,19-20,27,32-37,53H,6,10-11,14,17-18,21-26H2,1-5H3,(H,45,54)(H,46,55)(H,47,56)(H,48,57)(H,59,60)(H2,49,50,61)
+CH$LINK: PUBCHEM CID:146684876
+CH$LINK: INCHIKEY XTDLZZLFKOTTLJ-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-937
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.747 min
+MS$FOCUSED_ION: BASE_PEAK 132.9582
+MS$FOCUSED_ION: PRECURSOR_M/Z 898.4379
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0bu0-3910000000-798f1098ef88084e4cb5
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  56.0495 C3H6N+ 1 56.0495 -0.07
+  58.0651 C3H8N+ 1 58.0651 -0.08
+  60.0444 C2H6NO+ 1 60.0444 0.49
+  61.0107 C2H5S+ 1 61.0106 1.09
+  84.0808 C5H10N+ 1 84.0808 0.14
+  86.0964 C5H12N+ 1 86.0964 0.12
+  91.0543 C7H7+ 1 91.0542 1.28
+  104.0528 C4H10NS+ 1 104.0528 -0.12
+  107.0491 C7H7O+ 1 107.0491 -0.09
+  117.0698 C9H9+ 2 117.0699 -0.71
+  129.1023 C6H13N2O+ 2 129.1022 0.56
+  133.0651 C9H9O+ 1 133.0648 2.33
+  134.0965 C9H12N+ 2 134.0964 0.76
+  153.1022 C8H13N2O+ 2 153.1022 -0.52
+  164.1069 C10H14NO+ 3 164.107 -0.4
+  171.1126 C8H15N2O2+ 3 171.1128 -0.92
+  172.1152 CH14N7O3+ 3 172.1153 -0.14
+  181.0969 C9H13N2O2+ 2 181.0972 -1.33
+  195.1128 C10H15N2O2+ 3 195.1128 -0.17
+  210.1235 C10H16N3O2+ 3 210.1237 -0.91
+  213.123 C2H21N4O5S+ 4 213.1227 1.36
+  220.1155 C13H18NS+ 3 220.1154 0.04
+  238.1186 C11H16N3O3+ 3 238.1186 -0.05
+  242.1132 C10H16N3O4+ 5 242.1135 -1.31
+  284.1242 C12H18N3O5+ 6 284.1241 0.28
+PK$NUM_PEAK: 25
+PK$PEAK: m/z int. rel.int.
+  56.0495 49390.2 41
+  58.0651 393378.3 333
+  60.0444 29195.7 24
+  61.0107 32090.3 27
+  84.0808 760859.5 644
+  86.0964 88931.2 75
+  91.0543 31315.9 26
+  104.0528 75413.7 63
+  107.0491 1179951.2 999
+  117.0698 67912 57
+  129.1023 82883.5 70
+  133.0651 61800.1 52
+  134.0965 114009.5 96
+  153.1022 275911.7 233
+  164.1069 1074446.1 909
+  171.1126 181799.2 153
+  172.1152 48442.4 41
+  181.0969 104842.8 88
+  195.1128 267803.2 226
+  210.1235 33074.6 28
+  213.123 42521.7 36
+  220.1155 70935.9 60
+  238.1186 70787.3 59
+  242.1132 20561 17
+  284.1242 448557.8 379
+//
diff --git a/Eawag/MSBNK-EAWAG-EC075007.txt b/Eawag/MSBNK-EAWAG-EC075007.txt
new file mode 100644
index 0000000000..ec44ed95c1
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC075007.txt
@@ -0,0 +1,94 @@
+ACCESSION: MSBNK-EAWAG-EC075007
+RECORD_TITLE: Nodulapeptin C; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1016/j.chembiol.2010.01.017
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 750
+CH$NAME: Nodulapeptin C
+CH$NAME: 2-(3-(3-(acetoxymethyl)-6-(4-hydroxyphenethyl)-7-methyl-12-(2-(methylthio)ethyl)-2,5,8,11,14-pentaoxo-9-phenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)-3-methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C44H63N7O11S
+CH$EXACT_MASS: 897.4306268
+CH$SMILES: O=C(N(C(CCC1=CC=C(O)C=C1)C(NC(COC(C)=O)C2=O)=O)C)C(NC(C(CCSC)NC(C(CCCCN2)NC(NC(C(CC)C)C(O)=O)=O)=O)=O)CCC3=CC=CC=C3
+CH$IUPAC: InChI=1S/C44H63N7O11S/c1-6-27(2)37(43(59)60)50-44(61)49-32-14-10-11-24-45-38(54)35(26-62-28(3)52)48-41(57)36(22-18-30-15-19-31(53)20-16-30)51(4)42(58)34(21-17-29-12-8-7-9-13-29)47-40(56)33(23-25-63-5)46-39(32)55/h7-9,12-13,15-16,19-20,27,32-37,53H,6,10-11,14,17-18,21-26H2,1-5H3,(H,45,54)(H,46,55)(H,47,56)(H,48,57)(H,59,60)(H2,49,50,61)
+CH$LINK: PUBCHEM CID:146684876
+CH$LINK: INCHIKEY XTDLZZLFKOTTLJ-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-937
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.747 min
+MS$FOCUSED_ION: BASE_PEAK 132.9582
+MS$FOCUSED_ION: PRECURSOR_M/Z 898.4379
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0a59-5900000000-9b8d9aa92c8c459194ed
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  56.0495 C3H6N+ 1 56.0495 0.34
+  58.0651 C3H8N+ 1 58.0651 -0.02
+  60.0444 C2H6NO+ 1 60.0444 0.43
+  61.0108 C2H5S+ 1 61.0106 1.78
+  70.0287 C3H4NO+ 1 70.0287 -0.61
+  82.065 C5H8N+ 1 82.0651 -1.32
+  84.0445 C4H6NO+ 1 84.0444 1.79
+  84.0808 C5H10N+ 1 84.0808 0.33
+  86.0965 C5H12N+ 1 86.0964 0.47
+  91.0542 C7H7+ 1 91.0542 0.19
+  96.0809 C6H10N+ 1 96.0808 1.02
+  104.0529 C4H10NS+ 1 104.0528 0.25
+  107.0491 C7H7O+ 1 107.0491 0.05
+  117.0697 C9H9+ 2 117.0699 -1.42
+  129.1022 C6H13N2O+ 1 129.1022 -0.03
+  133.065 C9H9O+ 1 133.0648 1.53
+  134.0968 C9H12N+ 2 134.0964 2.47
+  136.0757 C8H10NO+ 2 136.0757 0.44
+  153.1022 C8H13N2O+ 3 153.1022 -0.42
+  155.0815 C7H11N2O2+ 2 155.0815 0.18
+  164.1069 C10H14NO+ 3 164.107 -0.49
+  171.113 C8H15N2O2+ 2 171.1128 1.22
+  181.0977 C9H13N2O2+ 2 181.0972 2.97
+  195.1127 C10H15N2O2+ 3 195.1128 -0.56
+  220.1154 C13H18NS+ 3 220.1154 -0.38
+  284.1243 C12H18N3O5+ 6 284.1241 0.71
+PK$NUM_PEAK: 26
+PK$PEAK: m/z int. rel.int.
+  56.0495 98284.5 57
+  58.0651 458193.2 266
+  60.0444 49333.8 28
+  61.0108 70965.5 41
+  70.0287 18604.2 10
+  82.065 24182.4 14
+  84.0445 76471 44
+  84.0808 1099828.9 640
+  86.0965 92953.7 54
+  91.0542 104442.9 60
+  96.0809 19166.6 11
+  104.0529 80811.2 47
+  107.0491 1715997.6 999
+  117.0697 111448.8 64
+  129.1022 89701.5 52
+  133.065 29172.2 16
+  134.0968 96594.8 56
+  136.0757 40393.4 23
+  153.1022 263525.8 153
+  155.0815 53947.3 31
+  164.1069 455668.8 265
+  171.113 164492.8 95
+  181.0977 65803 38
+  195.1127 296710.8 172
+  220.1154 44436.8 25
+  284.1243 268287.9 156
+//
diff --git a/Eawag/MSBNK-EAWAG-EC075008.txt b/Eawag/MSBNK-EAWAG-EC075008.txt
new file mode 100644
index 0000000000..cda2eb05ba
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC075008.txt
@@ -0,0 +1,88 @@
+ACCESSION: MSBNK-EAWAG-EC075008
+RECORD_TITLE: Nodulapeptin C; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1016/j.chembiol.2010.01.017
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 750
+CH$NAME: Nodulapeptin C
+CH$NAME: 2-(3-(3-(acetoxymethyl)-6-(4-hydroxyphenethyl)-7-methyl-12-(2-(methylthio)ethyl)-2,5,8,11,14-pentaoxo-9-phenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)-3-methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C44H63N7O11S
+CH$EXACT_MASS: 897.4306268
+CH$SMILES: O=C(N(C(CCC1=CC=C(O)C=C1)C(NC(COC(C)=O)C2=O)=O)C)C(NC(C(CCSC)NC(C(CCCCN2)NC(NC(C(CC)C)C(O)=O)=O)=O)=O)CCC3=CC=CC=C3
+CH$IUPAC: InChI=1S/C44H63N7O11S/c1-6-27(2)37(43(59)60)50-44(61)49-32-14-10-11-24-45-38(54)35(26-62-28(3)52)48-41(57)36(22-18-30-15-19-31(53)20-16-30)51(4)42(58)34(21-17-29-12-8-7-9-13-29)47-40(56)33(23-25-63-5)46-39(32)55/h7-9,12-13,15-16,19-20,27,32-37,53H,6,10-11,14,17-18,21-26H2,1-5H3,(H,45,54)(H,46,55)(H,47,56)(H,48,57)(H,59,60)(H2,49,50,61)
+CH$LINK: PUBCHEM CID:146684876
+CH$LINK: INCHIKEY XTDLZZLFKOTTLJ-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-937
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.747 min
+MS$FOCUSED_ION: BASE_PEAK 132.9582
+MS$FOCUSED_ION: PRECURSOR_M/Z 898.4379
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0a59-8900000000-0fc9ac2f7f23e5695ec2
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  56.0495 C3H6N+ 1 56.0495 -0.2
+  58.0651 C3H8N+ 1 58.0651 0.11
+  60.0444 C2H6NO+ 1 60.0444 0.05
+  61.0107 C2H5S+ 1 61.0106 0.15
+  82.0651 C5H8N+ 1 82.0651 -0.76
+  84.0445 C4H6NO+ 1 84.0444 0.79
+  84.0808 C5H10N+ 1 84.0808 0.05
+  86.0964 C5H12N+ 1 86.0964 -0.33
+  91.0542 C7H7+ 1 91.0542 0.19
+  96.081 C6H10N+ 1 96.0808 1.82
+  104.0529 C4H10NS+ 1 104.0528 0.98
+  107.0491 C7H7O+ 1 107.0491 -0.23
+  110.0601 C6H8NO+ 1 110.06 0.23
+  117.0698 C9H9+ 1 117.0699 -0.38
+  129.102 C6H13N2O+ 1 129.1022 -1.57
+  133.0648 C9H9O+ 1 133.0648 0.38
+  134.0964 C9H12N+ 2 134.0964 -0.03
+  153.1022 C8H13N2O+ 3 153.1022 -0.02
+  164.107 C10H14NO+ 3 164.107 0.35
+  171.1129 C8H15N2O2+ 3 171.1128 0.59
+  195.1128 C10H15N2O2+ 3 195.1128 -0.25
+  210.1232 C2H20N5O4S+ 3 210.1231 0.66
+  238.1183 C11H16N3O3+ 4 238.1186 -1.14
+PK$NUM_PEAK: 23
+PK$PEAK: m/z int. rel.int.
+  56.0495 162526.6 77
+  58.0651 428902.1 204
+  60.0444 89002.6 42
+  61.0107 121964.6 58
+  82.0651 35985.4 17
+  84.0445 123356.7 58
+  84.0808 1502672 715
+  86.0964 100010.9 47
+  91.0542 187007.3 89
+  96.081 42904.6 20
+  104.0529 29213.3 13
+  107.0491 2097452.8 999
+  110.0601 35457.4 16
+  117.0698 99788.8 47
+  129.102 51525.9 24
+  133.0648 37835.4 18
+  134.0964 60230.7 28
+  153.1022 196572 93
+  164.107 119383.8 56
+  171.1129 124675.4 59
+  195.1128 182947.4 87
+  210.1232 28834.5 13
+  238.1183 53026.3 25
+//
diff --git a/Eawag/MSBNK-EAWAG-EC075009.txt b/Eawag/MSBNK-EAWAG-EC075009.txt
new file mode 100644
index 0000000000..b3560b21a4
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC075009.txt
@@ -0,0 +1,84 @@
+ACCESSION: MSBNK-EAWAG-EC075009
+RECORD_TITLE: Nodulapeptin C; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1016/j.chembiol.2010.01.017
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 750
+CH$NAME: Nodulapeptin C
+CH$NAME: 2-(3-(3-(acetoxymethyl)-6-(4-hydroxyphenethyl)-7-methyl-12-(2-(methylthio)ethyl)-2,5,8,11,14-pentaoxo-9-phenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)-3-methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C44H63N7O11S
+CH$EXACT_MASS: 897.4306268
+CH$SMILES: O=C(N(C(CCC1=CC=C(O)C=C1)C(NC(COC(C)=O)C2=O)=O)C)C(NC(C(CCSC)NC(C(CCCCN2)NC(NC(C(CC)C)C(O)=O)=O)=O)=O)CCC3=CC=CC=C3
+CH$IUPAC: InChI=1S/C44H63N7O11S/c1-6-27(2)37(43(59)60)50-44(61)49-32-14-10-11-24-45-38(54)35(26-62-28(3)52)48-41(57)36(22-18-30-15-19-31(53)20-16-30)51(4)42(58)34(21-17-29-12-8-7-9-13-29)47-40(56)33(23-25-63-5)46-39(32)55/h7-9,12-13,15-16,19-20,27,32-37,53H,6,10-11,14,17-18,21-26H2,1-5H3,(H,45,54)(H,46,55)(H,47,56)(H,48,57)(H,59,60)(H2,49,50,61)
+CH$LINK: PUBCHEM CID:146684876
+CH$LINK: INCHIKEY XTDLZZLFKOTTLJ-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-937
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.747 min
+MS$FOCUSED_ION: BASE_PEAK 132.9582
+MS$FOCUSED_ION: PRECURSOR_M/Z 898.4379
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0a59-9700000000-40aca872bab62476feb9
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  56.0495 C3H6N+ 1 56.0495 0.34
+  58.0651 C3H8N+ 1 58.0651 0.11
+  60.0444 C2H6NO+ 1 60.0444 0.56
+  61.0106 C2H5S+ 1 61.0106 -0.35
+  82.0652 C5H8N+ 1 82.0651 0.54
+  84.0444 C4H6NO+ 1 84.0444 0.34
+  84.0808 C5H10N+ 1 84.0808 0.05
+  86.0964 C5H12N+ 1 86.0964 0.12
+  91.0543 C7H7+ 1 91.0542 0.36
+  96.0808 C6H10N+ 1 96.0808 0.63
+  104.0528 C4H10NS+ 1 104.0528 -0.85
+  107.0491 C7H7O+ 1 107.0491 -0.16
+  110.0602 C6H8NO+ 1 110.06 1.2
+  117.0698 C9H9+ 2 117.0699 -0.77
+  129.1023 C6H13N2O+ 2 129.1022 0.44
+  134.096 C9H12N+ 2 134.0964 -3.1
+  136.0756 C8H10NO+ 2 136.0757 -1.02
+  153.1022 C8H13N2O+ 3 153.1022 -0.32
+  155.0816 C7H11N2O2+ 2 155.0815 0.67
+  164.1069 C10H14NO+ 3 164.107 -0.58
+  195.1126 C10H15N2O2+ 3 195.1128 -1.03
+PK$NUM_PEAK: 21
+PK$PEAK: m/z int. rel.int.
+  56.0495 167848.5 85
+  58.0651 304022.9 155
+  60.0444 118868 60
+  61.0106 133044 68
+  82.0652 52204.1 26
+  84.0444 111233.3 56
+  84.0808 1586037.5 811
+  86.0964 78386.5 40
+  91.0543 241715 123
+  96.0808 35643.8 18
+  104.0528 27264.1 13
+  107.0491 1953433.9 999
+  110.0602 33949.4 17
+  117.0698 88138.6 45
+  129.1023 22467.8 11
+  134.096 21138.1 10
+  136.0756 26507.8 13
+  153.1022 81256.7 41
+  155.0816 22120 11
+  164.1069 21356.3 10
+  195.1126 50908.5 26
+//
diff --git a/Eawag/MSBNK-EAWAG-EC075051.txt b/Eawag/MSBNK-EAWAG-EC075051.txt
new file mode 100644
index 0000000000..af2456b277
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC075051.txt
@@ -0,0 +1,46 @@
+ACCESSION: MSBNK-EAWAG-EC075051
+RECORD_TITLE: Nodulapeptin C; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M-H]-; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1016/j.chembiol.2010.01.017
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 750
+CH$NAME: Nodulapeptin C
+CH$NAME: 2-(3-(3-(acetoxymethyl)-6-(4-hydroxyphenethyl)-7-methyl-12-(2-(methylthio)ethyl)-2,5,8,11,14-pentaoxo-9-phenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)-3-methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C44H63N7O11S
+CH$EXACT_MASS: 897.4306268
+CH$SMILES: O=C(N(C(CCC1=CC=C(O)C=C1)C(NC(COC(C)=O)C2=O)=O)C)C(NC(C(CCSC)NC(C(CCCCN2)NC(NC(C(CC)C)C(O)=O)=O)=O)=O)CCC3=CC=CC=C3
+CH$IUPAC: InChI=1S/C44H63N7O11S/c1-6-27(2)37(43(59)60)50-44(61)49-32-14-10-11-24-45-38(54)35(26-62-28(3)52)48-41(57)36(22-18-30-15-19-31(53)20-16-30)51(4)42(58)34(21-17-29-12-8-7-9-13-29)47-40(56)33(23-25-63-5)46-39(32)55/h7-9,12-13,15-16,19-20,27,32-37,53H,6,10-11,14,17-18,21-26H2,1-5H3,(H,45,54)(H,46,55)(H,47,56)(H,48,57)(H,59,60)(H2,49,50,61)
+CH$LINK: PUBCHEM CID:146684876
+CH$LINK: INCHIKEY XTDLZZLFKOTTLJ-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-935
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.734 min
+MS$FOCUSED_ION: BASE_PEAK 896.4241
+MS$FOCUSED_ION: PRECURSOR_M/Z 896.4234
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-014i-0000000920-712498f5bd1c97d7e375
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  765.3283 C44H43N7O6- 7 765.328 0.3
+  878.4124 C44H60N7O10S- 1 878.4128 -0.45
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  765.3283 1524528.1 999
+  878.4124 436364.2 285
+//
diff --git a/Eawag/MSBNK-EAWAG-EC075052.txt b/Eawag/MSBNK-EAWAG-EC075052.txt
new file mode 100644
index 0000000000..3c15bf3617
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC075052.txt
@@ -0,0 +1,50 @@
+ACCESSION: MSBNK-EAWAG-EC075052
+RECORD_TITLE: Nodulapeptin C; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M-H]-; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1016/j.chembiol.2010.01.017
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 750
+CH$NAME: Nodulapeptin C
+CH$NAME: 2-(3-(3-(acetoxymethyl)-6-(4-hydroxyphenethyl)-7-methyl-12-(2-(methylthio)ethyl)-2,5,8,11,14-pentaoxo-9-phenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)-3-methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C44H63N7O11S
+CH$EXACT_MASS: 897.4306268
+CH$SMILES: O=C(N(C(CCC1=CC=C(O)C=C1)C(NC(COC(C)=O)C2=O)=O)C)C(NC(C(CCSC)NC(C(CCCCN2)NC(NC(C(CC)C)C(O)=O)=O)=O)=O)CCC3=CC=CC=C3
+CH$IUPAC: InChI=1S/C44H63N7O11S/c1-6-27(2)37(43(59)60)50-44(61)49-32-14-10-11-24-45-38(54)35(26-62-28(3)52)48-41(57)36(22-18-30-15-19-31(53)20-16-30)51(4)42(58)34(21-17-29-12-8-7-9-13-29)47-40(56)33(23-25-63-5)46-39(32)55/h7-9,12-13,15-16,19-20,27,32-37,53H,6,10-11,14,17-18,21-26H2,1-5H3,(H,45,54)(H,46,55)(H,47,56)(H,48,57)(H,59,60)(H2,49,50,61)
+CH$LINK: PUBCHEM CID:146684876
+CH$LINK: INCHIKEY XTDLZZLFKOTTLJ-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-935
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.734 min
+MS$FOCUSED_ION: BASE_PEAK 896.4241
+MS$FOCUSED_ION: PRECURSOR_M/Z 896.4234
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0aor-0000000910-85f6d724632c1d50fe6d
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  705.3072 C43H45O9- 11 705.3069 0.4
+  765.3283 C44H43N7O6- 7 765.328 0.3
+  818.3928 C39H58N6O11S- 3 818.389 4.71
+  878.4136 C44H60N7O10S- 1 878.4128 0.94
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  705.3072 1323681 999
+  765.3283 891820.8 673
+  818.3928 103833.5 78
+  878.4136 272813 205
+//
diff --git a/Eawag/MSBNK-EAWAG-EC075053.txt b/Eawag/MSBNK-EAWAG-EC075053.txt
new file mode 100644
index 0000000000..e62f65a88c
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC075053.txt
@@ -0,0 +1,58 @@
+ACCESSION: MSBNK-EAWAG-EC075053
+RECORD_TITLE: Nodulapeptin C; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M-H]-; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1016/j.chembiol.2010.01.017
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 750
+CH$NAME: Nodulapeptin C
+CH$NAME: 2-(3-(3-(acetoxymethyl)-6-(4-hydroxyphenethyl)-7-methyl-12-(2-(methylthio)ethyl)-2,5,8,11,14-pentaoxo-9-phenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)-3-methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C44H63N7O11S
+CH$EXACT_MASS: 897.4306268
+CH$SMILES: O=C(N(C(CCC1=CC=C(O)C=C1)C(NC(COC(C)=O)C2=O)=O)C)C(NC(C(CCSC)NC(C(CCCCN2)NC(NC(C(CC)C)C(O)=O)=O)=O)=O)CCC3=CC=CC=C3
+CH$IUPAC: InChI=1S/C44H63N7O11S/c1-6-27(2)37(43(59)60)50-44(61)49-32-14-10-11-24-45-38(54)35(26-62-28(3)52)48-41(57)36(22-18-30-15-19-31(53)20-16-30)51(4)42(58)34(21-17-29-12-8-7-9-13-29)47-40(56)33(23-25-63-5)46-39(32)55/h7-9,12-13,15-16,19-20,27,32-37,53H,6,10-11,14,17-18,21-26H2,1-5H3,(H,45,54)(H,46,55)(H,47,56)(H,48,57)(H,59,60)(H2,49,50,61)
+CH$LINK: PUBCHEM CID:146684876
+CH$LINK: INCHIKEY XTDLZZLFKOTTLJ-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-935
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.734 min
+MS$FOCUSED_ION: BASE_PEAK 896.4241
+MS$FOCUSED_ION: PRECURSOR_M/Z 896.4234
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0a4i-0000300910-e817cb450f63b412a22f
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  155.0823 C7H11N2O2- 1 155.0826 -2.25
+  262.1187 C11H14N6O2- 4 262.1184 1.25
+  310.1223 C20H14N4- 7 310.1224 -0.2
+  430.209 C13H32N7O7S- 9 430.2089 0.14
+  705.307 C43H45O9- 11 705.3069 0.14
+  706.3104 C38H46N2O11- 8 706.3107 -0.49
+  765.3278 C44H43N7O6- 7 765.328 -0.26
+  818.3916 C39H58N6O11S- 3 818.389 3.15
+PK$NUM_PEAK: 8
+PK$PEAK: m/z int. rel.int.
+  155.0823 27795.4 24
+  262.1187 119712.5 105
+  310.1223 102643.1 90
+  430.209 527232.4 466
+  705.307 1129195.9 999
+  706.3104 57544.2 50
+  765.3278 113785.7 100
+  818.3916 153632.2 135
+//
diff --git a/Eawag/MSBNK-EAWAG-EC075054.txt b/Eawag/MSBNK-EAWAG-EC075054.txt
new file mode 100644
index 0000000000..b9b8d24fcd
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC075054.txt
@@ -0,0 +1,62 @@
+ACCESSION: MSBNK-EAWAG-EC075054
+RECORD_TITLE: Nodulapeptin C; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M-H]-; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1016/j.chembiol.2010.01.017
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 750
+CH$NAME: Nodulapeptin C
+CH$NAME: 2-(3-(3-(acetoxymethyl)-6-(4-hydroxyphenethyl)-7-methyl-12-(2-(methylthio)ethyl)-2,5,8,11,14-pentaoxo-9-phenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)-3-methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C44H63N7O11S
+CH$EXACT_MASS: 897.4306268
+CH$SMILES: O=C(N(C(CCC1=CC=C(O)C=C1)C(NC(COC(C)=O)C2=O)=O)C)C(NC(C(CCSC)NC(C(CCCCN2)NC(NC(C(CC)C)C(O)=O)=O)=O)=O)CCC3=CC=CC=C3
+CH$IUPAC: InChI=1S/C44H63N7O11S/c1-6-27(2)37(43(59)60)50-44(61)49-32-14-10-11-24-45-38(54)35(26-62-28(3)52)48-41(57)36(22-18-30-15-19-31(53)20-16-30)51(4)42(58)34(21-17-29-12-8-7-9-13-29)47-40(56)33(23-25-63-5)46-39(32)55/h7-9,12-13,15-16,19-20,27,32-37,53H,6,10-11,14,17-18,21-26H2,1-5H3,(H,45,54)(H,46,55)(H,47,56)(H,48,57)(H,59,60)(H2,49,50,61)
+CH$LINK: PUBCHEM CID:146684876
+CH$LINK: INCHIKEY XTDLZZLFKOTTLJ-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-935
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.734 min
+MS$FOCUSED_ION: BASE_PEAK 896.4241
+MS$FOCUSED_ION: PRECURSOR_M/Z 896.4234
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0a59-0277900600-e1275470798c75e4ee8b
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  113.0353 C4H5N2O2- 1 113.0357 -3.09
+  130.0873 C6H12NO2- 1 130.0874 -0.16
+  155.0821 C7H11N2O2- 1 155.0826 -3.14
+  196.1086 CH18N5O4S- 3 196.1085 0.37
+  262.1184 C11H14N6O2- 3 262.1184 -0.03
+  267.1085 C9H13N7O3- 6 267.1085 -0.14
+  310.1222 C20H14N4- 6 310.1224 -0.79
+  359.208 C11H31N6O5S- 6 359.2082 -0.56
+  430.209 C13H32N7O7S- 9 430.2089 0.21
+  705.3074 C43H45O9- 11 705.3069 0.66
+PK$NUM_PEAK: 10
+PK$PEAK: m/z int. rel.int.
+  113.0353 42457.6 68
+  130.0873 30339.2 48
+  155.0821 68697 110
+  196.1086 33725.5 54
+  262.1184 237003.5 380
+  267.1085 295756.3 474
+  310.1222 111335.1 178
+  359.208 426335.9 684
+  430.209 622622.9 999
+  705.3074 465619.1 747
+//
diff --git a/Eawag/MSBNK-EAWAG-EC075055.txt b/Eawag/MSBNK-EAWAG-EC075055.txt
new file mode 100644
index 0000000000..c300b62c04
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC075055.txt
@@ -0,0 +1,70 @@
+ACCESSION: MSBNK-EAWAG-EC075055
+RECORD_TITLE: Nodulapeptin C; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M-H]-; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1016/j.chembiol.2010.01.017
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 750
+CH$NAME: Nodulapeptin C
+CH$NAME: 2-(3-(3-(acetoxymethyl)-6-(4-hydroxyphenethyl)-7-methyl-12-(2-(methylthio)ethyl)-2,5,8,11,14-pentaoxo-9-phenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)-3-methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C44H63N7O11S
+CH$EXACT_MASS: 897.4306268
+CH$SMILES: O=C(N(C(CCC1=CC=C(O)C=C1)C(NC(COC(C)=O)C2=O)=O)C)C(NC(C(CCSC)NC(C(CCCCN2)NC(NC(C(CC)C)C(O)=O)=O)=O)=O)CCC3=CC=CC=C3
+CH$IUPAC: InChI=1S/C44H63N7O11S/c1-6-27(2)37(43(59)60)50-44(61)49-32-14-10-11-24-45-38(54)35(26-62-28(3)52)48-41(57)36(22-18-30-15-19-31(53)20-16-30)51(4)42(58)34(21-17-29-12-8-7-9-13-29)47-40(56)33(23-25-63-5)46-39(32)55/h7-9,12-13,15-16,19-20,27,32-37,53H,6,10-11,14,17-18,21-26H2,1-5H3,(H,45,54)(H,46,55)(H,47,56)(H,48,57)(H,59,60)(H2,49,50,61)
+CH$LINK: PUBCHEM CID:146684876
+CH$LINK: INCHIKEY XTDLZZLFKOTTLJ-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-935
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.734 min
+MS$FOCUSED_ION: BASE_PEAK 896.4241
+MS$FOCUSED_ION: PRECURSOR_M/Z 896.4234
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0cdj-1954000000-730e8e8c7ed80cee86d4
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  59.0138 C2H3O2- 1 59.0139 -0.2
+  85.0406 C3H5N2O- 1 85.0407 -1.33
+  111.0198 C4H3N2O2- 1 111.02 -1.44
+  113.0356 C4H5N2O2- 1 113.0357 -0.8
+  130.0875 C6H12NO2- 2 130.0874 1.25
+  153.0666 C7H9N2O2- 1 153.067 -1.99
+  155.0819 C7H11N2O2- 2 155.0826 -4.32
+  170.0928 C7H12N3O2- 2 170.0935 -4.05
+  196.1082 CH18N5O4S- 3 196.1085 -1.58
+  247.1076 C11H13N5O2- 4 247.1075 0.32
+  266.1004 C9H12N7O3- 6 266.1007 -1.12
+  267.1083 C9H13N7O3- 6 267.1085 -0.71
+  351.171 C13H27N4O5S- 7 351.1708 0.79
+  359.2083 C11H31N6O5S- 6 359.2082 0.38
+PK$NUM_PEAK: 14
+PK$PEAK: m/z int. rel.int.
+  59.0138 25841.4 92
+  85.0406 62525.7 224
+  111.0198 68807.3 247
+  113.0356 166432.6 598
+  130.0875 51461.2 185
+  153.0666 27927.6 100
+  155.0819 102553.7 369
+  170.0928 34560.1 124
+  196.1082 239029.2 860
+  247.1076 123165.3 443
+  266.1004 132547.1 476
+  267.1083 203991.2 734
+  351.171 91807 330
+  359.2083 277636.3 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC075056.txt b/Eawag/MSBNK-EAWAG-EC075056.txt
new file mode 100644
index 0000000000..1dfeb7669f
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC075056.txt
@@ -0,0 +1,74 @@
+ACCESSION: MSBNK-EAWAG-EC075056
+RECORD_TITLE: Nodulapeptin C; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M-H]-; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1016/j.chembiol.2010.01.017
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 750
+CH$NAME: Nodulapeptin C
+CH$NAME: 2-(3-(3-(acetoxymethyl)-6-(4-hydroxyphenethyl)-7-methyl-12-(2-(methylthio)ethyl)-2,5,8,11,14-pentaoxo-9-phenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)-3-methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C44H63N7O11S
+CH$EXACT_MASS: 897.4306268
+CH$SMILES: O=C(N(C(CCC1=CC=C(O)C=C1)C(NC(COC(C)=O)C2=O)=O)C)C(NC(C(CCSC)NC(C(CCCCN2)NC(NC(C(CC)C)C(O)=O)=O)=O)=O)CCC3=CC=CC=C3
+CH$IUPAC: InChI=1S/C44H63N7O11S/c1-6-27(2)37(43(59)60)50-44(61)49-32-14-10-11-24-45-38(54)35(26-62-28(3)52)48-41(57)36(22-18-30-15-19-31(53)20-16-30)51(4)42(58)34(21-17-29-12-8-7-9-13-29)47-40(56)33(23-25-63-5)46-39(32)55/h7-9,12-13,15-16,19-20,27,32-37,53H,6,10-11,14,17-18,21-26H2,1-5H3,(H,45,54)(H,46,55)(H,47,56)(H,48,57)(H,59,60)(H2,49,50,61)
+CH$LINK: PUBCHEM CID:146684876
+CH$LINK: INCHIKEY XTDLZZLFKOTTLJ-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-935
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.734 min
+MS$FOCUSED_ION: BASE_PEAK 896.4241
+MS$FOCUSED_ION: PRECURSOR_M/Z 896.4234
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-01ot-0920000000-7a764e851740a48c950c
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  111.0199 C4H3N2O2- 1 111.02 -0.83
+  113.0356 C4H5N2O2- 1 113.0357 -0.53
+  119.0503 C8H7O- 1 119.0502 0.86
+  123.0564 C6H7N2O- 1 123.0564 -0.13
+  127.0512 C5H7N2O2- 1 127.0513 -0.58
+  130.0871 C6H12NO2- 1 130.0874 -1.69
+  139.0509 C6H7N2O2- 1 139.0513 -2.77
+  153.0662 C7H9N2O2- 2 153.067 -4.68
+  155.0822 C7H11N2O2- 1 155.0826 -2.55
+  162.0918 C8H10N4- 3 162.0911 4.32
+  195.1003 C7H11N6O- 2 195.1 1.76
+  196.1083 CH18N5O4S- 3 196.1085 -0.96
+  223.1187 C2H19N6O4S- 4 223.1194 -3.26
+  247.1075 C11H13N5O2- 4 247.1075 0.07
+  266.1007 C9H12N7O3- 6 266.1007 -0.2
+  267.1082 C9H13N7O3- 6 267.1085 -1.17
+PK$NUM_PEAK: 16
+PK$PEAK: m/z int. rel.int.
+  111.0199 115027.1 421
+  113.0356 272396.2 999
+  119.0503 58835.1 215
+  123.0564 23528.6 86
+  127.0512 57806.5 212
+  130.0871 71362.4 261
+  139.0509 76824.3 281
+  153.0662 59480.5 218
+  155.0822 83524.5 306
+  162.0918 20727.5 76
+  195.1003 89505.6 328
+  196.1083 249474 914
+  223.1187 14338.6 52
+  247.1075 155536.1 570
+  266.1007 67509.9 247
+  267.1082 39188.1 143
+//
diff --git a/Eawag/MSBNK-EAWAG-EC075057.txt b/Eawag/MSBNK-EAWAG-EC075057.txt
new file mode 100644
index 0000000000..e9e9c954aa
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC075057.txt
@@ -0,0 +1,74 @@
+ACCESSION: MSBNK-EAWAG-EC075057
+RECORD_TITLE: Nodulapeptin C; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M-H]-; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1016/j.chembiol.2010.01.017
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 750
+CH$NAME: Nodulapeptin C
+CH$NAME: 2-(3-(3-(acetoxymethyl)-6-(4-hydroxyphenethyl)-7-methyl-12-(2-(methylthio)ethyl)-2,5,8,11,14-pentaoxo-9-phenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)-3-methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C44H63N7O11S
+CH$EXACT_MASS: 897.4306268
+CH$SMILES: O=C(N(C(CCC1=CC=C(O)C=C1)C(NC(COC(C)=O)C2=O)=O)C)C(NC(C(CCSC)NC(C(CCCCN2)NC(NC(C(CC)C)C(O)=O)=O)=O)=O)CCC3=CC=CC=C3
+CH$IUPAC: InChI=1S/C44H63N7O11S/c1-6-27(2)37(43(59)60)50-44(61)49-32-14-10-11-24-45-38(54)35(26-62-28(3)52)48-41(57)36(22-18-30-15-19-31(53)20-16-30)51(4)42(58)34(21-17-29-12-8-7-9-13-29)47-40(56)33(23-25-63-5)46-39(32)55/h7-9,12-13,15-16,19-20,27,32-37,53H,6,10-11,14,17-18,21-26H2,1-5H3,(H,45,54)(H,46,55)(H,47,56)(H,48,57)(H,59,60)(H2,49,50,61)
+CH$LINK: PUBCHEM CID:146684876
+CH$LINK: INCHIKEY XTDLZZLFKOTTLJ-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-935
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.734 min
+MS$FOCUSED_ION: BASE_PEAK 896.4241
+MS$FOCUSED_ION: PRECURSOR_M/Z 896.4234
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-03di-0900000000-ee309b16723b774bf874
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  59.0138 C2H3O2- 1 59.0139 -1.62
+  85.0408 C3H5N2O- 1 85.0407 0.73
+  91.0552 C7H7- 1 91.0553 -1.05
+  111.0198 C4H3N2O2- 1 111.02 -1.72
+  113.0355 C4H5N2O2- 1 113.0357 -1
+  119.05 C8H7O- 2 119.0502 -1.64
+  123.0566 C6H7N2O- 2 123.0564 1.55
+  125.036 C5H5N2O2- 1 125.0357 2.4
+  127.0511 C5H7N2O2- 1 127.0513 -1.54
+  130.0871 C6H12NO2- 1 130.0874 -1.92
+  139.0508 C6H7N2O2- 1 139.0513 -3.32
+  151.0507 C7H7N2O2- 1 151.0513 -3.73
+  153.067 C7H9N2O2- 2 153.067 0.01
+  194.0929 CH16N5O4S- 3 194.0928 0.21
+  195.0999 C7H11N6O- 3 195.1 -0.28
+  196.1083 CH18N5O4S- 3 196.1085 -1.04
+PK$NUM_PEAK: 16
+PK$PEAK: m/z int. rel.int.
+  59.0138 42481.5 177
+  85.0408 29317.7 122
+  91.0552 15805.5 66
+  111.0198 154817.9 646
+  113.0355 239176.3 999
+  119.05 78767.9 329
+  123.0566 25338.9 105
+  125.036 19951.6 83
+  127.0511 77066 321
+  130.0871 90378.6 377
+  139.0508 94335.1 394
+  151.0507 22302.5 93
+  153.067 38525.8 160
+  194.0929 22086.9 92
+  195.0999 70552.4 294
+  196.1083 112287.5 469
+//
diff --git a/Eawag/MSBNK-EAWAG-EC075058.txt b/Eawag/MSBNK-EAWAG-EC075058.txt
new file mode 100644
index 0000000000..5b691dcf3c
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC075058.txt
@@ -0,0 +1,62 @@
+ACCESSION: MSBNK-EAWAG-EC075058
+RECORD_TITLE: Nodulapeptin C; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M-H]-; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1016/j.chembiol.2010.01.017
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 750
+CH$NAME: Nodulapeptin C
+CH$NAME: 2-(3-(3-(acetoxymethyl)-6-(4-hydroxyphenethyl)-7-methyl-12-(2-(methylthio)ethyl)-2,5,8,11,14-pentaoxo-9-phenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)-3-methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C44H63N7O11S
+CH$EXACT_MASS: 897.4306268
+CH$SMILES: O=C(N(C(CCC1=CC=C(O)C=C1)C(NC(COC(C)=O)C2=O)=O)C)C(NC(C(CCSC)NC(C(CCCCN2)NC(NC(C(CC)C)C(O)=O)=O)=O)=O)CCC3=CC=CC=C3
+CH$IUPAC: InChI=1S/C44H63N7O11S/c1-6-27(2)37(43(59)60)50-44(61)49-32-14-10-11-24-45-38(54)35(26-62-28(3)52)48-41(57)36(22-18-30-15-19-31(53)20-16-30)51(4)42(58)34(21-17-29-12-8-7-9-13-29)47-40(56)33(23-25-63-5)46-39(32)55/h7-9,12-13,15-16,19-20,27,32-37,53H,6,10-11,14,17-18,21-26H2,1-5H3,(H,45,54)(H,46,55)(H,47,56)(H,48,57)(H,59,60)(H2,49,50,61)
+CH$LINK: PUBCHEM CID:146684876
+CH$LINK: INCHIKEY XTDLZZLFKOTTLJ-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-935
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.734 min
+MS$FOCUSED_ION: BASE_PEAK 896.4241
+MS$FOCUSED_ION: PRECURSOR_M/Z 896.4234
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-03di-1900000000-742cee5f1b3963ca2eae
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  46.9962 CH3S- 1 46.9961 1.55
+  59.0137 C2H3O2- 1 59.0139 -2.08
+  85.0407 C3H5N2O- 1 85.0407 0.1
+  91.0554 C7H7- 1 91.0553 0.71
+  111.0199 C4H3N2O2- 1 111.02 -1.17
+  113.0355 C4H5N2O2- 1 113.0357 -1.54
+  119.0501 C8H7O- 2 119.0502 -1.39
+  127.0513 C5H7N2O2- 1 127.0513 0.02
+  130.0872 C6H12NO2- 1 130.0874 -1.22
+  139.0512 C6H7N2O2- 1 139.0513 -1.01
+PK$NUM_PEAK: 10
+PK$PEAK: m/z int. rel.int.
+  46.9962 14786.3 75
+  59.0137 57573.3 292
+  85.0407 17156.8 87
+  91.0554 21027.3 106
+  111.0199 133483.7 679
+  113.0355 196333.1 999
+  119.0501 87514.4 445
+  127.0513 63946.5 325
+  130.0872 70865.4 360
+  139.0512 55046.8 280
+//
diff --git a/Eawag/MSBNK-EAWAG-EC075201.txt b/Eawag/MSBNK-EAWAG-EC075201.txt
new file mode 100644
index 0000000000..8473020e5e
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC075201.txt
@@ -0,0 +1,52 @@
+ACCESSION: MSBNK-EAWAG-EC075201
+RECORD_TITLE: Nodulapeptin 881a; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md11010001
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 752
+CH$NAME: Nodulapeptin 881a
+CH$NAME: 2-(3-(3-(acetoxymethyl)-7-methyl-12-(2-(methylthio)ethyl)-2,5,8,11,14-pentaoxo-6,9-diphenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)-3-methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C44H63N7O10S
+CH$EXACT_MASS: 881.4357122
+CH$SMILES: O=C(N(C(CCC1=CC=CC=C1)C(NC(COC(C)=O)C2=O)=O)C)C(NC(C(CCSC)NC(C(CCCCN2)NC(NC(C(CC)C)C(O)=O)=O)=O)=O)CCC3=CC=CC=C3
+CH$IUPAC: InChI=1S/C44H63N7O10S/c1-6-28(2)37(43(58)59)50-44(60)49-32-19-13-14-25-45-38(53)35(27-61-29(3)52)48-41(56)36(23-21-31-17-11-8-12-18-31)51(4)42(57)34(22-20-30-15-9-7-10-16-30)47-40(55)33(24-26-62-5)46-39(32)54/h7-12,15-18,28,32-37H,6,13-14,19-27H2,1-5H3,(H,45,53)(H,46,54)(H,47,55)(H,48,56)(H,58,59)(H2,49,50,60)
+CH$LINK: PUBCHEM CID:146684896
+CH$LINK: INCHIKEY COYVFWSNQRUPIO-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-921
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 12.348 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 882.443
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-001i-0000000190-61b7091e42e1c10cbbe0
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  337.191 C21H25N2O2+ 5 337.1911 -0.3
+  721.3591 C36H55N3O10S+ 9 721.3603 -1.64
+  725.369 C37H53N6O7S+ 9 725.3691 -0.17
+  854.4465 C43H64N7O9S+ 1 854.4481 -1.89
+  882.4427 C44H64N7O10S+ 1 882.443 -0.28
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  337.191 6180.9 12
+  721.3591 16742.9 33
+  725.369 68029.9 135
+  854.4465 24021.9 47
+  882.4427 502370.5 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC075202.txt b/Eawag/MSBNK-EAWAG-EC075202.txt
new file mode 100644
index 0000000000..1d223fef45
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC075202.txt
@@ -0,0 +1,50 @@
+ACCESSION: MSBNK-EAWAG-EC075202
+RECORD_TITLE: Nodulapeptin 881a; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md11010001
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 752
+CH$NAME: Nodulapeptin 881a
+CH$NAME: 2-(3-(3-(acetoxymethyl)-7-methyl-12-(2-(methylthio)ethyl)-2,5,8,11,14-pentaoxo-6,9-diphenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)-3-methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C44H63N7O10S
+CH$EXACT_MASS: 881.4357122
+CH$SMILES: O=C(N(C(CCC1=CC=CC=C1)C(NC(COC(C)=O)C2=O)=O)C)C(NC(C(CCSC)NC(C(CCCCN2)NC(NC(C(CC)C)C(O)=O)=O)=O)=O)CCC3=CC=CC=C3
+CH$IUPAC: InChI=1S/C44H63N7O10S/c1-6-28(2)37(43(58)59)50-44(60)49-32-19-13-14-25-45-38(53)35(27-61-29(3)52)48-41(56)36(23-21-31-17-11-8-12-18-31)51(4)42(57)34(22-20-30-15-9-7-10-16-30)47-40(55)33(24-26-62-5)46-39(32)54/h7-12,15-18,28,32-37H,6,13-14,19-27H2,1-5H3,(H,45,53)(H,46,54)(H,47,55)(H,48,56)(H,58,59)(H2,49,50,60)
+CH$LINK: PUBCHEM CID:146684896
+CH$LINK: INCHIKEY COYVFWSNQRUPIO-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-921
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 12.348 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 882.443
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-00b9-1000010900-05c38d095c53e56cc471
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  84.0807 C5H10N+ 1 84.0808 -0.58
+  562.3228 C20H48N7O9S+ 10 562.3229 -0.05
+  721.3583 C36H55N3O10S+ 9 721.3603 -2.66
+  725.3691 C37H53N6O7S+ 9 725.3691 0
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  84.0807 38650.8 355
+  562.3228 39358.3 362
+  721.3583 90107.2 829
+  725.3691 108568.6 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC075203.txt b/Eawag/MSBNK-EAWAG-EC075203.txt
new file mode 100644
index 0000000000..9675260b50
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC075203.txt
@@ -0,0 +1,56 @@
+ACCESSION: MSBNK-EAWAG-EC075203
+RECORD_TITLE: Nodulapeptin 881a; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md11010001
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 752
+CH$NAME: Nodulapeptin 881a
+CH$NAME: 2-(3-(3-(acetoxymethyl)-7-methyl-12-(2-(methylthio)ethyl)-2,5,8,11,14-pentaoxo-6,9-diphenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)-3-methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C44H63N7O10S
+CH$EXACT_MASS: 881.4357122
+CH$SMILES: O=C(N(C(CCC1=CC=CC=C1)C(NC(COC(C)=O)C2=O)=O)C)C(NC(C(CCSC)NC(C(CCCCN2)NC(NC(C(CC)C)C(O)=O)=O)=O)=O)CCC3=CC=CC=C3
+CH$IUPAC: InChI=1S/C44H63N7O10S/c1-6-28(2)37(43(58)59)50-44(60)49-32-19-13-14-25-45-38(53)35(27-61-29(3)52)48-41(56)36(23-21-31-17-11-8-12-18-31)51(4)42(57)34(22-20-30-15-9-7-10-16-30)47-40(55)33(24-26-62-5)46-39(32)54/h7-12,15-18,28,32-37H,6,13-14,19-27H2,1-5H3,(H,45,53)(H,46,54)(H,47,55)(H,48,56)(H,58,59)(H2,49,50,60)
+CH$LINK: PUBCHEM CID:146684896
+CH$LINK: INCHIKEY COYVFWSNQRUPIO-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-921
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 12.348 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 882.443
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-05nb-6925620200-2caf8accc27eba01a145
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  84.0808 C5H10N+ 1 84.0808 0.05
+  148.1119 C10H14N+ 2 148.1121 -0.98
+  213.1234 C10H17N2O3+ 3 213.1234 0.1
+  305.1495 C17H17N6+ 6 305.1509 -4.63
+  468.2313 C26H34N3O3S+ 9 468.2315 -0.42
+  536.293 C29H40N6O2S+ 10 536.2928 0.35
+  725.3697 C37H53N6O7S+ 9 725.3691 0.84
+PK$NUM_PEAK: 7
+PK$PEAK: m/z int. rel.int.
+  84.0808 119005.8 760
+  148.1119 156307.4 999
+  213.1234 35085.3 224
+  305.1495 103394.5 660
+  468.2313 119675.9 764
+  536.293 37026.7 236
+  725.3697 48283 308
+//
diff --git a/Eawag/MSBNK-EAWAG-EC075204.txt b/Eawag/MSBNK-EAWAG-EC075204.txt
new file mode 100644
index 0000000000..9ec84fb5ff
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC075204.txt
@@ -0,0 +1,60 @@
+ACCESSION: MSBNK-EAWAG-EC075204
+RECORD_TITLE: Nodulapeptin 881a; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md11010001
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 752
+CH$NAME: Nodulapeptin 881a
+CH$NAME: 2-(3-(3-(acetoxymethyl)-7-methyl-12-(2-(methylthio)ethyl)-2,5,8,11,14-pentaoxo-6,9-diphenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)-3-methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C44H63N7O10S
+CH$EXACT_MASS: 881.4357122
+CH$SMILES: O=C(N(C(CCC1=CC=CC=C1)C(NC(COC(C)=O)C2=O)=O)C)C(NC(C(CCSC)NC(C(CCCCN2)NC(NC(C(CC)C)C(O)=O)=O)=O)=O)CCC3=CC=CC=C3
+CH$IUPAC: InChI=1S/C44H63N7O10S/c1-6-28(2)37(43(58)59)50-44(60)49-32-19-13-14-25-45-38(53)35(27-61-29(3)52)48-41(56)36(23-21-31-17-11-8-12-18-31)51(4)42(57)34(22-20-30-15-9-7-10-16-30)47-40(55)33(24-26-62-5)46-39(32)54/h7-12,15-18,28,32-37H,6,13-14,19-27H2,1-5H3,(H,45,53)(H,46,54)(H,47,55)(H,48,56)(H,58,59)(H2,49,50,60)
+CH$LINK: PUBCHEM CID:146684896
+CH$LINK: INCHIKEY COYVFWSNQRUPIO-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-921
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 12.348 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 882.443
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-000t-4913000000-e0c09eab3c539e431bc6
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  60.0445 C2H6NO+ 1 60.0444 1.83
+  84.0807 C5H10N+ 1 84.0808 -0.58
+  148.1119 C10H14N+ 2 148.1121 -1.09
+  153.1021 C8H13N2O+ 2 153.1022 -0.72
+  181.0977 C9H13N2O2+ 2 181.0972 2.88
+  213.123 C10H17N2O3+ 4 213.1234 -1.62
+  265.1369 C14H21N2OS+ 4 265.1369 0.13
+  305.1497 C17H17N6+ 6 305.1509 -4.13
+  355.1984 C10H33N3O8S+ 6 355.1983 0.3
+PK$NUM_PEAK: 9
+PK$PEAK: m/z int. rel.int.
+  60.0445 24055.5 59
+  84.0807 210296.1 519
+  148.1119 404159.6 999
+  153.1021 28719.1 70
+  181.0977 16353.7 40
+  213.123 58117.5 143
+  265.1369 37727.7 93
+  305.1497 120556.2 297
+  355.1984 57684.6 142
+//
diff --git a/Eawag/MSBNK-EAWAG-EC075205.txt b/Eawag/MSBNK-EAWAG-EC075205.txt
new file mode 100644
index 0000000000..baf5b5dd6c
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC075205.txt
@@ -0,0 +1,72 @@
+ACCESSION: MSBNK-EAWAG-EC075205
+RECORD_TITLE: Nodulapeptin 881a; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md11010001
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 752
+CH$NAME: Nodulapeptin 881a
+CH$NAME: 2-(3-(3-(acetoxymethyl)-7-methyl-12-(2-(methylthio)ethyl)-2,5,8,11,14-pentaoxo-6,9-diphenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)-3-methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C44H63N7O10S
+CH$EXACT_MASS: 881.4357122
+CH$SMILES: O=C(N(C(CCC1=CC=CC=C1)C(NC(COC(C)=O)C2=O)=O)C)C(NC(C(CCSC)NC(C(CCCCN2)NC(NC(C(CC)C)C(O)=O)=O)=O)=O)CCC3=CC=CC=C3
+CH$IUPAC: InChI=1S/C44H63N7O10S/c1-6-28(2)37(43(58)59)50-44(60)49-32-19-13-14-25-45-38(53)35(27-61-29(3)52)48-41(56)36(23-21-31-17-11-8-12-18-31)51(4)42(57)34(22-20-30-15-9-7-10-16-30)47-40(55)33(24-26-62-5)46-39(32)54/h7-12,15-18,28,32-37H,6,13-14,19-27H2,1-5H3,(H,45,53)(H,46,54)(H,47,55)(H,48,56)(H,58,59)(H2,49,50,60)
+CH$LINK: PUBCHEM CID:146684896
+CH$LINK: INCHIKEY COYVFWSNQRUPIO-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-921
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 12.348 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 882.443
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0002-3900000000-717df67262f5c6d11d88
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  60.0444 C2H6NO+ 1 60.0444 0.49
+  84.0808 C5H10N+ 1 84.0808 -0.13
+  86.0964 C5H12N+ 1 86.0964 -0.77
+  91.0544 C7H7+ 1 91.0542 1.45
+  117.0698 C9H9+ 2 117.0699 -0.71
+  129.1024 C6H13N2O+ 2 129.1022 1.15
+  134.0966 C9H12N+ 2 134.0964 1.33
+  148.1119 C10H14N+ 2 148.1121 -0.88
+  153.102 C8H13N2O+ 2 153.1022 -1.42
+  176.1073 C5H20O4S+ 2 176.1077 -2.04
+  181.0971 C9H13N2O2+ 3 181.0972 -0.15
+  195.1126 C10H15N2O2+ 3 195.1128 -0.87
+  213.1235 C10H17N2O3+ 3 213.1234 0.52
+  265.1368 C14H21N2OS+ 5 265.1369 -0.33
+  477.2334 C29H35NO3S+ 9 477.2332 0.44
+PK$NUM_PEAK: 15
+PK$PEAK: m/z int. rel.int.
+  60.0444 69454.2 77
+  84.0808 323651.8 360
+  86.0964 38922.4 43
+  91.0544 41686.5 46
+  117.0698 70174.5 78
+  129.1024 37688.7 42
+  134.0966 36092.5 40
+  148.1119 895877.5 999
+  153.102 100142.6 111
+  176.1073 29942.4 33
+  181.0971 33220.1 37
+  195.1126 83747.9 93
+  213.1235 50579.6 56
+  265.1368 73150.3 81
+  477.2334 71221.3 79
+//
diff --git a/Eawag/MSBNK-EAWAG-EC075206.txt b/Eawag/MSBNK-EAWAG-EC075206.txt
new file mode 100644
index 0000000000..f433e6a890
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC075206.txt
@@ -0,0 +1,74 @@
+ACCESSION: MSBNK-EAWAG-EC075206
+RECORD_TITLE: Nodulapeptin 881a; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md11010001
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 752
+CH$NAME: Nodulapeptin 881a
+CH$NAME: 2-(3-(3-(acetoxymethyl)-7-methyl-12-(2-(methylthio)ethyl)-2,5,8,11,14-pentaoxo-6,9-diphenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)-3-methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C44H63N7O10S
+CH$EXACT_MASS: 881.4357122
+CH$SMILES: O=C(N(C(CCC1=CC=CC=C1)C(NC(COC(C)=O)C2=O)=O)C)C(NC(C(CCSC)NC(C(CCCCN2)NC(NC(C(CC)C)C(O)=O)=O)=O)=O)CCC3=CC=CC=C3
+CH$IUPAC: InChI=1S/C44H63N7O10S/c1-6-28(2)37(43(58)59)50-44(60)49-32-19-13-14-25-45-38(53)35(27-61-29(3)52)48-41(56)36(23-21-31-17-11-8-12-18-31)51(4)42(57)34(22-20-30-15-9-7-10-16-30)47-40(55)33(24-26-62-5)46-39(32)54/h7-12,15-18,28,32-37H,6,13-14,19-27H2,1-5H3,(H,45,53)(H,46,54)(H,47,55)(H,48,56)(H,58,59)(H2,49,50,60)
+CH$LINK: PUBCHEM CID:146684896
+CH$LINK: INCHIKEY COYVFWSNQRUPIO-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-921
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 12.348 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 882.443
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-000t-3910000000-dbb0c248dd0079c5d73d
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  56.0496 C3H6N+ 1 56.0495 2.25
+  60.0444 C2H6NO+ 1 60.0444 0.62
+  84.0808 C5H10N+ 1 84.0808 -0.22
+  86.0962 C5H12N+ 1 86.0964 -2.54
+  91.0543 C7H7+ 1 91.0542 0.78
+  104.0528 C4H10NS+ 1 104.0528 -0.12
+  117.0697 C9H9+ 2 117.0699 -1.16
+  129.1024 C6H13N2O+ 2 129.1022 1.62
+  134.0963 C9H12N+ 2 134.0964 -1.06
+  148.112 C10H14N+ 2 148.1121 -0.67
+  153.1021 C8H13N2O+ 2 153.1022 -1.22
+  171.1126 C8H15N2O2+ 2 171.1128 -1.19
+  195.1127 C10H15N2O2+ 3 195.1128 -0.32
+  220.1151 C5H14N7O3+ 3 220.1153 -0.73
+  284.1237 C4H22N5O7S+ 5 284.1234 0.85
+  321.1556 C17H23NO5+ 7 321.1571 -4.45
+PK$NUM_PEAK: 16
+PK$PEAK: m/z int. rel.int.
+  56.0496 21800.1 24
+  60.0444 47690.2 53
+  84.0808 333787.6 377
+  86.0962 41296.1 46
+  91.0543 176403.6 199
+  104.0528 49144.5 55
+  117.0697 169169.4 191
+  129.1024 41396.4 46
+  134.0963 52050.3 58
+  148.112 883979 999
+  153.1021 132798.2 150
+  171.1126 87125.7 98
+  195.1127 109404.4 123
+  220.1151 38418.6 43
+  284.1237 178149.8 201
+  321.1556 23107.4 26
+//
diff --git a/Eawag/MSBNK-EAWAG-EC075207.txt b/Eawag/MSBNK-EAWAG-EC075207.txt
new file mode 100644
index 0000000000..34453d2c4e
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC075207.txt
@@ -0,0 +1,80 @@
+ACCESSION: MSBNK-EAWAG-EC075207
+RECORD_TITLE: Nodulapeptin 881a; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md11010001
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 752
+CH$NAME: Nodulapeptin 881a
+CH$NAME: 2-(3-(3-(acetoxymethyl)-7-methyl-12-(2-(methylthio)ethyl)-2,5,8,11,14-pentaoxo-6,9-diphenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)-3-methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C44H63N7O10S
+CH$EXACT_MASS: 881.4357122
+CH$SMILES: O=C(N(C(CCC1=CC=CC=C1)C(NC(COC(C)=O)C2=O)=O)C)C(NC(C(CCSC)NC(C(CCCCN2)NC(NC(C(CC)C)C(O)=O)=O)=O)=O)CCC3=CC=CC=C3
+CH$IUPAC: InChI=1S/C44H63N7O10S/c1-6-28(2)37(43(58)59)50-44(60)49-32-19-13-14-25-45-38(53)35(27-61-29(3)52)48-41(56)36(23-21-31-17-11-8-12-18-31)51(4)42(57)34(22-20-30-15-9-7-10-16-30)47-40(55)33(24-26-62-5)46-39(32)54/h7-12,15-18,28,32-37H,6,13-14,19-27H2,1-5H3,(H,45,53)(H,46,54)(H,47,55)(H,48,56)(H,58,59)(H2,49,50,60)
+CH$LINK: PUBCHEM CID:146684896
+CH$LINK: INCHIKEY COYVFWSNQRUPIO-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-921
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 12.348 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 882.443
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-000w-7900000000-046838f0532f38a477ac
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  56.0495 C3H6N+ 1 56.0495 0.55
+  60.0443 C2H6NO+ 1 60.0444 -1.54
+  61.0109 C2H5S+ 1 61.0106 4.09
+  84.0446 C4H6NO+ 1 84.0444 2.15
+  84.0808 C5H10N+ 1 84.0808 -0.04
+  86.0964 C5H12N+ 1 86.0964 0.12
+  91.0542 C7H7+ 1 91.0542 -0.23
+  104.0528 C4H10NS+ 1 104.0528 -0.41
+  117.0698 C9H9+ 2 117.0699 -0.9
+  129.1023 C6H13N2O+ 2 129.1022 0.56
+  134.0961 C9H12N+ 2 134.0964 -2.54
+  148.1119 C10H14N+ 2 148.1121 -0.88
+  153.102 C8H13N2O+ 2 153.1022 -1.52
+  155.0814 C7H11N2O2+ 1 155.0815 -0.61
+  171.1123 H19N4O4S+ 3 171.1122 0.84
+  195.1126 C10H15N2O2+ 3 195.1128 -1.03
+  210.124 C2H20N5O4S+ 3 210.1231 4.37
+  220.1149 C5H14N7O3+ 4 220.1153 -1.56
+  238.1178 C3H20N5O5S+ 4 238.118 -0.9
+PK$NUM_PEAK: 19
+PK$PEAK: m/z int. rel.int.
+  56.0495 42818.4 60
+  60.0443 41945.3 59
+  61.0109 38479.3 54
+  84.0446 34002.3 48
+  84.0808 503708.1 711
+  86.0964 45724.4 64
+  91.0542 452702.4 639
+  104.0528 32644.1 46
+  117.0698 198630.6 280
+  129.1023 28835.7 40
+  134.0961 55144.3 77
+  148.1119 707367.7 999
+  153.102 129492.1 182
+  155.0814 19731.7 27
+  171.1123 85815.9 121
+  195.1126 125150 176
+  210.124 20881.3 29
+  220.1149 15238.9 21
+  238.1178 33758.6 47
+//
diff --git a/Eawag/MSBNK-EAWAG-EC075251.txt b/Eawag/MSBNK-EAWAG-EC075251.txt
new file mode 100644
index 0000000000..8e9be56cb2
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC075251.txt
@@ -0,0 +1,48 @@
+ACCESSION: MSBNK-EAWAG-EC075251
+RECORD_TITLE: Nodulapeptin 881a; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M-H]-; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md11010001
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 752
+CH$NAME: Nodulapeptin 881a
+CH$NAME: 2-(3-(3-(acetoxymethyl)-7-methyl-12-(2-(methylthio)ethyl)-2,5,8,11,14-pentaoxo-6,9-diphenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)-3-methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C44H63N7O10S
+CH$EXACT_MASS: 881.4357122
+CH$SMILES: O=C(N(C(CCC1=CC=CC=C1)C(NC(COC(C)=O)C2=O)=O)C)C(NC(C(CCSC)NC(C(CCCCN2)NC(NC(C(CC)C)C(O)=O)=O)=O)=O)CCC3=CC=CC=C3
+CH$IUPAC: InChI=1S/C44H63N7O10S/c1-6-28(2)37(43(58)59)50-44(60)49-32-19-13-14-25-45-38(53)35(27-61-29(3)52)48-41(56)36(23-21-31-17-11-8-12-18-31)51(4)42(57)34(22-20-30-15-9-7-10-16-30)47-40(55)33(24-26-62-5)46-39(32)54/h7-12,15-18,28,32-37H,6,13-14,19-27H2,1-5H3,(H,45,53)(H,46,54)(H,47,55)(H,48,56)(H,58,59)(H2,49,50,60)
+CH$LINK: PUBCHEM CID:146684896
+CH$LINK: INCHIKEY COYVFWSNQRUPIO-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-919
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 12.362 min
+MS$FOCUSED_ION: BASE_PEAK 880.4295
+MS$FOCUSED_ION: PRECURSOR_M/Z 880.4284
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0002-0000002920-a76ac056d725015f4000
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  689.3125 C36H45N6O6S- 11 689.3127 -0.22
+  749.3337 C38H49N6O8S- 7 749.3338 -0.21
+  862.4175 C44H60N7O9S- 1 862.4179 -0.46
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  689.3125 141036.5 244
+  749.3337 576049.1 999
+  862.4175 168960.8 293
+//
diff --git a/Eawag/MSBNK-EAWAG-EC075252.txt b/Eawag/MSBNK-EAWAG-EC075252.txt
new file mode 100644
index 0000000000..2b1c4a02c1
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC075252.txt
@@ -0,0 +1,48 @@
+ACCESSION: MSBNK-EAWAG-EC075252
+RECORD_TITLE: Nodulapeptin 881a; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M-H]-; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md11010001
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 752
+CH$NAME: Nodulapeptin 881a
+CH$NAME: 2-(3-(3-(acetoxymethyl)-7-methyl-12-(2-(methylthio)ethyl)-2,5,8,11,14-pentaoxo-6,9-diphenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)-3-methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C44H63N7O10S
+CH$EXACT_MASS: 881.4357122
+CH$SMILES: O=C(N(C(CCC1=CC=CC=C1)C(NC(COC(C)=O)C2=O)=O)C)C(NC(C(CCSC)NC(C(CCCCN2)NC(NC(C(CC)C)C(O)=O)=O)=O)=O)CCC3=CC=CC=C3
+CH$IUPAC: InChI=1S/C44H63N7O10S/c1-6-28(2)37(43(58)59)50-44(60)49-32-19-13-14-25-45-38(53)35(27-61-29(3)52)48-41(56)36(23-21-31-17-11-8-12-18-31)51(4)42(57)34(22-20-30-15-9-7-10-16-30)47-40(55)33(24-26-62-5)46-39(32)54/h7-12,15-18,28,32-37H,6,13-14,19-27H2,1-5H3,(H,45,53)(H,46,54)(H,47,55)(H,48,56)(H,58,59)(H2,49,50,60)
+CH$LINK: PUBCHEM CID:146684896
+CH$LINK: INCHIKEY COYVFWSNQRUPIO-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-919
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 12.362 min
+MS$FOCUSED_ION: BASE_PEAK 880.4295
+MS$FOCUSED_ION: PRECURSOR_M/Z 880.4284
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-000j-0000009510-63cf702ce03551f87668
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  689.3124 C36H45N6O6S- 11 689.3127 -0.4
+  749.334 C38H49N6O8S- 7 749.3338 0.2
+  862.4172 C44H60N7O9S- 1 862.4179 -0.81
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  689.3124 563533.3 999
+  749.334 315889.3 559
+  862.4172 122279.2 216
+//
diff --git a/Eawag/MSBNK-EAWAG-EC075253.txt b/Eawag/MSBNK-EAWAG-EC075253.txt
new file mode 100644
index 0000000000..e9904ff572
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC075253.txt
@@ -0,0 +1,48 @@
+ACCESSION: MSBNK-EAWAG-EC075253
+RECORD_TITLE: Nodulapeptin 881a; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M-H]-; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md11010001
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 752
+CH$NAME: Nodulapeptin 881a
+CH$NAME: 2-(3-(3-(acetoxymethyl)-7-methyl-12-(2-(methylthio)ethyl)-2,5,8,11,14-pentaoxo-6,9-diphenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)-3-methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C44H63N7O10S
+CH$EXACT_MASS: 881.4357122
+CH$SMILES: O=C(N(C(CCC1=CC=CC=C1)C(NC(COC(C)=O)C2=O)=O)C)C(NC(C(CCSC)NC(C(CCCCN2)NC(NC(C(CC)C)C(O)=O)=O)=O)=O)CCC3=CC=CC=C3
+CH$IUPAC: InChI=1S/C44H63N7O10S/c1-6-28(2)37(43(58)59)50-44(60)49-32-19-13-14-25-45-38(53)35(27-61-29(3)52)48-41(56)36(23-21-31-17-11-8-12-18-31)51(4)42(57)34(22-20-30-15-9-7-10-16-30)47-40(55)33(24-26-62-5)46-39(32)54/h7-12,15-18,28,32-37H,6,13-14,19-27H2,1-5H3,(H,45,53)(H,46,54)(H,47,55)(H,48,56)(H,58,59)(H2,49,50,60)
+CH$LINK: PUBCHEM CID:146684896
+CH$LINK: INCHIKEY COYVFWSNQRUPIO-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-919
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 12.362 min
+MS$FOCUSED_ION: BASE_PEAK 880.4295
+MS$FOCUSED_ION: PRECURSOR_M/Z 880.4284
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-000i-0000409010-d45d78c98c4952e62a43
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  414.2139 C13H32N7O6S- 7 414.214 -0.24
+  689.3125 C36H45N6O6S- 11 689.3127 -0.22
+  802.3977 C44H58N4O8S- 3 802.3981 -0.43
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  414.2139 262325.6 467
+  689.3125 560554.3 999
+  802.3977 63650.7 113
+//
diff --git a/Eawag/MSBNK-EAWAG-EC075254.txt b/Eawag/MSBNK-EAWAG-EC075254.txt
new file mode 100644
index 0000000000..8239d8337c
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC075254.txt
@@ -0,0 +1,50 @@
+ACCESSION: MSBNK-EAWAG-EC075254
+RECORD_TITLE: Nodulapeptin 881a; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M-H]-; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md11010001
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 752
+CH$NAME: Nodulapeptin 881a
+CH$NAME: 2-(3-(3-(acetoxymethyl)-7-methyl-12-(2-(methylthio)ethyl)-2,5,8,11,14-pentaoxo-6,9-diphenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)-3-methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C44H63N7O10S
+CH$EXACT_MASS: 881.4357122
+CH$SMILES: O=C(N(C(CCC1=CC=CC=C1)C(NC(COC(C)=O)C2=O)=O)C)C(NC(C(CCSC)NC(C(CCCCN2)NC(NC(C(CC)C)C(O)=O)=O)=O)=O)CCC3=CC=CC=C3
+CH$IUPAC: InChI=1S/C44H63N7O10S/c1-6-28(2)37(43(58)59)50-44(60)49-32-19-13-14-25-45-38(53)35(27-61-29(3)52)48-41(56)36(23-21-31-17-11-8-12-18-31)51(4)42(57)34(22-20-30-15-9-7-10-16-30)47-40(55)33(24-26-62-5)46-39(32)54/h7-12,15-18,28,32-37H,6,13-14,19-27H2,1-5H3,(H,45,53)(H,46,54)(H,47,55)(H,48,56)(H,58,59)(H2,49,50,60)
+CH$LINK: PUBCHEM CID:146684896
+CH$LINK: INCHIKEY COYVFWSNQRUPIO-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-919
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 12.362 min
+MS$FOCUSED_ION: BASE_PEAK 880.4295
+MS$FOCUSED_ION: PRECURSOR_M/Z 880.4284
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-03di-0070900000-b560d9de8830bac959c6
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  155.0827 C7H11N2O2- 2 155.0826 0.8
+  262.1183 C11H14N6O2- 4 262.1184 -0.14
+  267.1088 C17H17NS- 6 267.1087 0.2
+  414.2141 C13H32N7O6S- 7 414.214 0.28
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  155.0827 27811.4 101
+  262.1183 87936.8 320
+  267.1088 142823 519
+  414.2141 274431.9 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC080501.txt b/Eawag/MSBNK-EAWAG-EC080501.txt
new file mode 100644
index 0000000000..bc9fd2c156
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC080501.txt
@@ -0,0 +1,49 @@
+ACCESSION: MSBNK-EAWAG-EC080501
+RECORD_TITLE: Anabaenopeptin F; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 805
+CH$NAME: Anabaenopeptin F
+CH$NAME: (2R)-2-(3-((3S,6S,12S,15R)-3-benzyl-12-((R)-sec-butyl)-9-(4-hydroxyphenethyl)-6,7-dimethyl-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)-5-((diaminomethylene)amino)pentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C42H62N10O9
+CH$EXACT_MASS: 850.4701236
+CH$SMILES: C[C@H]1C(N[C@@H](CC2=CC=CC=C2)C(NCCCC[C@@H](NC(N[C@@H](C(O)=O)CCC/N=C(N)\N)=O)C(N[C@@H]([C@H](C)CC)C(NC(CCC3=CC=C(O)C=C3)C(N1C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C42H62N10O9/c1-5-25(2)34-38(57)47-31(21-18-27-16-19-29(53)20-17-27)39(58)52(4)26(3)35(54)48-33(24-28-12-7-6-8-13-28)36(55)45-22-10-9-14-30(37(56)51-34)49-42(61)50-32(40(59)60)15-11-23-46-41(43)44/h6-8,12-13,16-17,19-20,25-26,30-34,53H,5,9-11,14-15,18,21-24H2,1-4H3,(H,45,55)(H,47,57)(H,48,54)(H,51,56)(H,59,60)(H4,43,44,46)(H2,49,50,61)/t25-,26+,30-,31?,32-,33+,34+/m1/s1
+CH$LINK: PUBCHEM CID: 44387258
+CH$LINK: INCHIKEY RAUPUVQHUFXDQT-XQEBCNPXSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-890
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.121 min
+MS$FOCUSED_ION: BASE_PEAK 426.2416
+MS$FOCUSED_ION: PRECURSOR_M/Z 851.4774
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0udi-0000000090-d3ff1fcbf12f35450bb4
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  175.1188 C6H15N4O2+ 1 175.119 -0.98
+  201.0976 C7H13N4O3+ 3 201.0982 -2.88
+  651.3856 C33H49N9O5+ 6 651.3851 0.78
+  851.4773 C42H63N10O9+ 1 851.4774 -0.12
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  175.1188 327630.6 16
+  201.0976 592227.4 30
+  651.3856 247034.3 12
+  851.4773 19677266 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC080502.txt b/Eawag/MSBNK-EAWAG-EC080502.txt
new file mode 100644
index 0000000000..04559402f3
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC080502.txt
@@ -0,0 +1,49 @@
+ACCESSION: MSBNK-EAWAG-EC080502
+RECORD_TITLE: Anabaenopeptin F; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 805
+CH$NAME: Anabaenopeptin F
+CH$NAME: (2R)-2-(3-((3S,6S,12S,15R)-3-benzyl-12-((R)-sec-butyl)-9-(4-hydroxyphenethyl)-6,7-dimethyl-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)-5-((diaminomethylene)amino)pentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C42H62N10O9
+CH$EXACT_MASS: 850.4701236
+CH$SMILES: C[C@H]1C(N[C@@H](CC2=CC=CC=C2)C(NCCCC[C@@H](NC(N[C@@H](C(O)=O)CCC/N=C(N)\N)=O)C(N[C@@H]([C@H](C)CC)C(NC(CCC3=CC=C(O)C=C3)C(N1C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C42H62N10O9/c1-5-25(2)34-38(57)47-31(21-18-27-16-19-29(53)20-17-27)39(58)52(4)26(3)35(54)48-33(24-28-12-7-6-8-13-28)36(55)45-22-10-9-14-30(37(56)51-34)49-42(61)50-32(40(59)60)15-11-23-46-41(43)44/h6-8,12-13,16-17,19-20,25-26,30-34,53H,5,9-11,14-15,18,21-24H2,1-4H3,(H,45,55)(H,47,57)(H,48,54)(H,51,56)(H,59,60)(H4,43,44,46)(H2,49,50,61)/t25-,26+,30-,31?,32-,33+,34+/m1/s1
+CH$LINK: PUBCHEM CID: 44387258
+CH$LINK: INCHIKEY RAUPUVQHUFXDQT-XQEBCNPXSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-890
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.121 min
+MS$FOCUSED_ION: BASE_PEAK 426.2416
+MS$FOCUSED_ION: PRECURSOR_M/Z 851.4774
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0udi-0140000090-99bb803f1d9eb1faf351
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  175.1186 C6H15N4O2+ 1 175.119 -2.03
+  201.0978 C7H13N4O3+ 3 201.0982 -2.27
+  651.3858 C35H51N6O6+ 5 651.3865 -1
+  851.477 C42H63N10O9+ 1 851.4774 -0.41
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  175.1186 1888723.6 163
+  201.0978 5468798.5 473
+  651.3858 1089135.6 94
+  851.477 11549942 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC080503.txt b/Eawag/MSBNK-EAWAG-EC080503.txt
new file mode 100644
index 0000000000..f9d5cca9e8
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC080503.txt
@@ -0,0 +1,51 @@
+ACCESSION: MSBNK-EAWAG-EC080503
+RECORD_TITLE: Anabaenopeptin F; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 805
+CH$NAME: Anabaenopeptin F
+CH$NAME: (2R)-2-(3-((3S,6S,12S,15R)-3-benzyl-12-((R)-sec-butyl)-9-(4-hydroxyphenethyl)-6,7-dimethyl-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)-5-((diaminomethylene)amino)pentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C42H62N10O9
+CH$EXACT_MASS: 850.4701236
+CH$SMILES: C[C@H]1C(N[C@@H](CC2=CC=CC=C2)C(NCCCC[C@@H](NC(N[C@@H](C(O)=O)CCC/N=C(N)\N)=O)C(N[C@@H]([C@H](C)CC)C(NC(CCC3=CC=C(O)C=C3)C(N1C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C42H62N10O9/c1-5-25(2)34-38(57)47-31(21-18-27-16-19-29(53)20-17-27)39(58)52(4)26(3)35(54)48-33(24-28-12-7-6-8-13-28)36(55)45-22-10-9-14-30(37(56)51-34)49-42(61)50-32(40(59)60)15-11-23-46-41(43)44/h6-8,12-13,16-17,19-20,25-26,30-34,53H,5,9-11,14-15,18,21-24H2,1-4H3,(H,45,55)(H,47,57)(H,48,54)(H,51,56)(H,59,60)(H4,43,44,46)(H2,49,50,61)/t25-,26+,30-,31?,32-,33+,34+/m1/s1
+CH$LINK: PUBCHEM CID: 44387258
+CH$LINK: INCHIKEY RAUPUVQHUFXDQT-XQEBCNPXSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-890
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.121 min
+MS$FOCUSED_ION: BASE_PEAK 426.2416
+MS$FOCUSED_ION: PRECURSOR_M/Z 851.4774
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0udi-0290000010-2142a8a5ddb78c2db251
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  84.0808 C5H10N+ 1 84.0808 0.41
+  175.1188 C6H15N4O2+ 1 175.119 -0.98
+  201.0978 C7H13N4O3+ 3 201.0982 -1.97
+  651.3857 C33H49N9O5+ 5 651.3851 0.97
+  851.4777 C42H63N10O9+ 1 851.4774 0.31
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  84.0808 354119.7 18
+  175.1188 5345611.5 280
+  201.0978 19023210 999
+  651.3857 1421722.2 74
+  851.4777 4155819 218
+//
diff --git a/Eawag/MSBNK-EAWAG-EC080504.txt b/Eawag/MSBNK-EAWAG-EC080504.txt
new file mode 100644
index 0000000000..8a92249829
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC080504.txt
@@ -0,0 +1,51 @@
+ACCESSION: MSBNK-EAWAG-EC080504
+RECORD_TITLE: Anabaenopeptin F; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 805
+CH$NAME: Anabaenopeptin F
+CH$NAME: (2R)-2-(3-((3S,6S,12S,15R)-3-benzyl-12-((R)-sec-butyl)-9-(4-hydroxyphenethyl)-6,7-dimethyl-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)-5-((diaminomethylene)amino)pentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C42H62N10O9
+CH$EXACT_MASS: 850.4701236
+CH$SMILES: C[C@H]1C(N[C@@H](CC2=CC=CC=C2)C(NCCCC[C@@H](NC(N[C@@H](C(O)=O)CCC/N=C(N)\N)=O)C(N[C@@H]([C@H](C)CC)C(NC(CCC3=CC=C(O)C=C3)C(N1C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C42H62N10O9/c1-5-25(2)34-38(57)47-31(21-18-27-16-19-29(53)20-17-27)39(58)52(4)26(3)35(54)48-33(24-28-12-7-6-8-13-28)36(55)45-22-10-9-14-30(37(56)51-34)49-42(61)50-32(40(59)60)15-11-23-46-41(43)44/h6-8,12-13,16-17,19-20,25-26,30-34,53H,5,9-11,14-15,18,21-24H2,1-4H3,(H,45,55)(H,47,57)(H,48,54)(H,51,56)(H,59,60)(H4,43,44,46)(H2,49,50,61)/t25-,26+,30-,31?,32-,33+,34+/m1/s1
+CH$LINK: PUBCHEM CID: 44387258
+CH$LINK: INCHIKEY RAUPUVQHUFXDQT-XQEBCNPXSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-890
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.121 min
+MS$FOCUSED_ION: BASE_PEAK 426.2416
+MS$FOCUSED_ION: PRECURSOR_M/Z 851.4774
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0udi-0190000000-eb2c6061886598b3533b
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  84.0807 C5H10N+ 1 84.0808 -0.59
+  175.1187 C6H15N4O2+ 1 175.119 -1.59
+  201.0977 C7H13N4O3+ 3 201.0982 -2.65
+  651.3859 C35H51N6O6+ 7 651.3865 -0.81
+  851.4787 C42H63N10O9+ 1 851.4774 1.52
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  84.0807 1061975.4 34
+  175.1187 6352499 208
+  201.0977 30365564 999
+  651.3859 715342.9 23
+  851.4787 674509.1 22
+//
diff --git a/Eawag/MSBNK-EAWAG-EC080505.txt b/Eawag/MSBNK-EAWAG-EC080505.txt
new file mode 100644
index 0000000000..bbba1e5d35
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC080505.txt
@@ -0,0 +1,65 @@
+ACCESSION: MSBNK-EAWAG-EC080505
+RECORD_TITLE: Anabaenopeptin F; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 805
+CH$NAME: Anabaenopeptin F
+CH$NAME: (2R)-2-(3-((3S,6S,12S,15R)-3-benzyl-12-((R)-sec-butyl)-9-(4-hydroxyphenethyl)-6,7-dimethyl-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)-5-((diaminomethylene)amino)pentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C42H62N10O9
+CH$EXACT_MASS: 850.4701236
+CH$SMILES: C[C@H]1C(N[C@@H](CC2=CC=CC=C2)C(NCCCC[C@@H](NC(N[C@@H](C(O)=O)CCC/N=C(N)\N)=O)C(N[C@@H]([C@H](C)CC)C(NC(CCC3=CC=C(O)C=C3)C(N1C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C42H62N10O9/c1-5-25(2)34-38(57)47-31(21-18-27-16-19-29(53)20-17-27)39(58)52(4)26(3)35(54)48-33(24-28-12-7-6-8-13-28)36(55)45-22-10-9-14-30(37(56)51-34)49-42(61)50-32(40(59)60)15-11-23-46-41(43)44/h6-8,12-13,16-17,19-20,25-26,30-34,53H,5,9-11,14-15,18,21-24H2,1-4H3,(H,45,55)(H,47,57)(H,48,54)(H,51,56)(H,59,60)(H4,43,44,46)(H2,49,50,61)/t25-,26+,30-,31?,32-,33+,34+/m1/s1
+CH$LINK: PUBCHEM CID: 44387258
+CH$LINK: INCHIKEY RAUPUVQHUFXDQT-XQEBCNPXSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-890
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.121 min
+MS$FOCUSED_ION: BASE_PEAK 426.2416
+MS$FOCUSED_ION: PRECURSOR_M/Z 851.4774
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0udi-1290000000-e06c38d4fa23db26ced4
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  58.0651 C3H8N+ 1 58.0651 0.33
+  60.0556 CH6N3+ 1 60.0556 -0.83
+  70.0652 C4H8N+ 1 70.0651 0.46
+  84.0808 C5H10N+ 1 84.0808 -0.22
+  112.0867 C5H10N3+ 1 112.0869 -2.08
+  114.0549 C5H8NO2+ 1 114.055 -0.91
+  116.0706 C5H10NO2+ 1 116.0706 -0.23
+  130.0975 C5H12N3O+ 1 130.0975 0.03
+  158.0921 C6H12N3O2+ 1 158.0924 -1.97
+  159.0761 C6H11N2O3+ 1 159.0764 -1.82
+  175.1187 C6H15N4O2+ 1 175.119 -1.42
+  201.0977 C7H13N4O3+ 3 201.0982 -2.42
+PK$NUM_PEAK: 12
+PK$PEAK: m/z int. rel.int.
+  58.0651 448096 12
+  60.0556 826121.3 22
+  70.0652 1505152.8 41
+  84.0808 1903672.1 52
+  112.0867 948188.9 25
+  114.0549 967074.1 26
+  116.0706 593304.6 16
+  130.0975 708465.4 19
+  158.0921 550668.1 15
+  159.0761 527787.1 14
+  175.1187 4695430 128
+  201.0977 36467224 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC080506.txt b/Eawag/MSBNK-EAWAG-EC080506.txt
new file mode 100644
index 0000000000..19edce51a3
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC080506.txt
@@ -0,0 +1,79 @@
+ACCESSION: MSBNK-EAWAG-EC080506
+RECORD_TITLE: Anabaenopeptin F; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 805
+CH$NAME: Anabaenopeptin F
+CH$NAME: (2R)-2-(3-((3S,6S,12S,15R)-3-benzyl-12-((R)-sec-butyl)-9-(4-hydroxyphenethyl)-6,7-dimethyl-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)-5-((diaminomethylene)amino)pentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C42H62N10O9
+CH$EXACT_MASS: 850.4701236
+CH$SMILES: C[C@H]1C(N[C@@H](CC2=CC=CC=C2)C(NCCCC[C@@H](NC(N[C@@H](C(O)=O)CCC/N=C(N)\N)=O)C(N[C@@H]([C@H](C)CC)C(NC(CCC3=CC=C(O)C=C3)C(N1C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C42H62N10O9/c1-5-25(2)34-38(57)47-31(21-18-27-16-19-29(53)20-17-27)39(58)52(4)26(3)35(54)48-33(24-28-12-7-6-8-13-28)36(55)45-22-10-9-14-30(37(56)51-34)49-42(61)50-32(40(59)60)15-11-23-46-41(43)44/h6-8,12-13,16-17,19-20,25-26,30-34,53H,5,9-11,14-15,18,21-24H2,1-4H3,(H,45,55)(H,47,57)(H,48,54)(H,51,56)(H,59,60)(H4,43,44,46)(H2,49,50,61)/t25-,26+,30-,31?,32-,33+,34+/m1/s1
+CH$LINK: PUBCHEM CID: 44387258
+CH$LINK: INCHIKEY RAUPUVQHUFXDQT-XQEBCNPXSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-890
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.121 min
+MS$FOCUSED_ION: BASE_PEAK 426.2416
+MS$FOCUSED_ION: PRECURSOR_M/Z 851.4774
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0udi-4590000000-5989ce28429dce7d4922
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  58.0651 C3H8N+ 1 58.0651 -0.53
+  60.0556 CH6N3+ 1 60.0556 -0.58
+  70.0651 C4H8N+ 1 70.0651 -0.3
+  84.0808 C5H10N+ 1 84.0808 -0.13
+  86.06 C4H8NO+ 1 86.06 0.02
+  112.0868 C5H10N3+ 1 112.0869 -0.79
+  113.0708 C5H9N2O+ 1 113.0709 -1.46
+  114.0549 C5H8NO2+ 1 114.055 -0.85
+  115.0866 C5H11N2O+ 1 115.0866 -0.08
+  116.0705 C5H10NO2+ 1 116.0706 -1.02
+  120.0808 C8H10N+ 1 120.0808 0.32
+  129.1024 C6H13N2O+ 1 129.1022 1.2
+  130.0974 C5H12N3O+ 1 130.0975 -0.9
+  141.0656 C6H9N2O2+ 1 141.0659 -2.08
+  142.0496 C6H8NO3+ 1 142.0499 -2.24
+  158.0921 C6H12N3O2+ 1 158.0924 -1.97
+  159.0762 C6H11N2O3+ 1 159.0764 -1.15
+  175.1186 C6H15N4O2+ 1 175.119 -1.85
+  201.0977 C7H13N4O3+ 3 201.0982 -2.35
+PK$NUM_PEAK: 19
+PK$PEAK: m/z int. rel.int.
+  58.0651 887667.1 36
+  60.0556 1697288.9 69
+  70.0651 5480839.5 225
+  84.0808 2495898 102
+  86.06 538726.3 22
+  112.0868 1583788.6 65
+  113.0708 516125 21
+  114.0549 2706959.5 111
+  115.0866 822473.4 33
+  116.0705 1193237.2 49
+  120.0808 326059.2 13
+  129.1024 276508 11
+  130.0974 2091996.4 86
+  141.0656 348335.3 14
+  142.0496 548015.4 22
+  158.0921 660843.4 27
+  159.0762 1324052 54
+  175.1186 1958474.6 80
+  201.0977 24234446 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC080507.txt b/Eawag/MSBNK-EAWAG-EC080507.txt
new file mode 100644
index 0000000000..4e2be3117e
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC080507.txt
@@ -0,0 +1,89 @@
+ACCESSION: MSBNK-EAWAG-EC080507
+RECORD_TITLE: Anabaenopeptin F; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 805
+CH$NAME: Anabaenopeptin F
+CH$NAME: (2R)-2-(3-((3S,6S,12S,15R)-3-benzyl-12-((R)-sec-butyl)-9-(4-hydroxyphenethyl)-6,7-dimethyl-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)-5-((diaminomethylene)amino)pentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C42H62N10O9
+CH$EXACT_MASS: 850.4701236
+CH$SMILES: C[C@H]1C(N[C@@H](CC2=CC=CC=C2)C(NCCCC[C@@H](NC(N[C@@H](C(O)=O)CCC/N=C(N)\N)=O)C(N[C@@H]([C@H](C)CC)C(NC(CCC3=CC=C(O)C=C3)C(N1C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C42H62N10O9/c1-5-25(2)34-38(57)47-31(21-18-27-16-19-29(53)20-17-27)39(58)52(4)26(3)35(54)48-33(24-28-12-7-6-8-13-28)36(55)45-22-10-9-14-30(37(56)51-34)49-42(61)50-32(40(59)60)15-11-23-46-41(43)44/h6-8,12-13,16-17,19-20,25-26,30-34,53H,5,9-11,14-15,18,21-24H2,1-4H3,(H,45,55)(H,47,57)(H,48,54)(H,51,56)(H,59,60)(H4,43,44,46)(H2,49,50,61)/t25-,26+,30-,31?,32-,33+,34+/m1/s1
+CH$LINK: PUBCHEM CID: 44387258
+CH$LINK: INCHIKEY RAUPUVQHUFXDQT-XQEBCNPXSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-890
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.121 min
+MS$FOCUSED_ION: BASE_PEAK 426.2416
+MS$FOCUSED_ION: PRECURSOR_M/Z 851.4774
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0w9r-9750000000-cdbd89092ce4fd356d78
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  58.0651 C3H8N+ 1 58.0651 -0.2
+  60.0556 CH6N3+ 1 60.0556 -0.39
+  70.0651 C4H8N+ 1 70.0651 -0.19
+  71.0491 C4H7O+ 1 71.0491 -0.03
+  84.0807 C5H10N+ 1 84.0808 -0.41
+  86.0348 C2H4N3O+ 1 86.0349 -1.6
+  86.06 C4H8NO+ 1 86.06 -0.24
+  86.0964 C5H12N+ 1 86.0964 -0.87
+  99.0442 C5H7O2+ 1 99.0441 1.84
+  107.049 C7H7O+ 1 107.0491 -1.47
+  112.0868 C5H10N3+ 1 112.0869 -0.72
+  113.071 C5H9N2O+ 1 113.0709 0.16
+  114.0549 C5H8NO2+ 1 114.055 -0.65
+  115.0865 C5H11N2O+ 1 115.0866 -0.95
+  116.0705 C5H10NO2+ 1 116.0706 -0.63
+  120.0805 C8H10N+ 1 120.0808 -2.1
+  129.1025 C6H13N2O+ 1 129.1022 1.67
+  130.0974 C5H12N3O+ 1 130.0975 -0.67
+  141.0656 C6H9N2O2+ 1 141.0659 -1.65
+  142.0498 C6H8NO3+ 1 142.0499 -0.52
+  158.0923 C6H12N3O2+ 1 158.0924 -0.81
+  159.0762 C6H11N2O3+ 1 159.0764 -1.15
+  175.1193 C6H15N4O2+ 1 175.119 1.81
+  201.0978 C7H13N4O3+ 3 201.0982 -2.04
+PK$NUM_PEAK: 24
+PK$PEAK: m/z int. rel.int.
+  58.0651 1174246.6 114
+  60.0556 2249055 218
+  70.0651 10050992 976
+  71.0491 256579.1 24
+  84.0807 3055202.2 296
+  86.0348 157823.4 15
+  86.06 675440.6 65
+  86.0964 215127.5 20
+  99.0442 108139 10
+  107.049 278228.6 27
+  112.0868 1554623.5 151
+  113.071 834689.1 81
+  114.0549 4139333.2 402
+  115.0865 752241 73
+  116.0705 1026157.4 99
+  120.0805 687958.1 66
+  129.1025 307078.5 29
+  130.0974 2770473.8 269
+  141.0656 340762 33
+  142.0498 606918.5 58
+  158.0923 398632 38
+  159.0762 969309.9 94
+  175.1193 505046.8 49
+  201.0978 10280628 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC080508.txt b/Eawag/MSBNK-EAWAG-EC080508.txt
new file mode 100644
index 0000000000..05241b7a6d
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC080508.txt
@@ -0,0 +1,89 @@
+ACCESSION: MSBNK-EAWAG-EC080508
+RECORD_TITLE: Anabaenopeptin F; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 805
+CH$NAME: Anabaenopeptin F
+CH$NAME: (2R)-2-(3-((3S,6S,12S,15R)-3-benzyl-12-((R)-sec-butyl)-9-(4-hydroxyphenethyl)-6,7-dimethyl-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)-5-((diaminomethylene)amino)pentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C42H62N10O9
+CH$EXACT_MASS: 850.4701236
+CH$SMILES: C[C@H]1C(N[C@@H](CC2=CC=CC=C2)C(NCCCC[C@@H](NC(N[C@@H](C(O)=O)CCC/N=C(N)\N)=O)C(N[C@@H]([C@H](C)CC)C(NC(CCC3=CC=C(O)C=C3)C(N1C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C42H62N10O9/c1-5-25(2)34-38(57)47-31(21-18-27-16-19-29(53)20-17-27)39(58)52(4)26(3)35(54)48-33(24-28-12-7-6-8-13-28)36(55)45-22-10-9-14-30(37(56)51-34)49-42(61)50-32(40(59)60)15-11-23-46-41(43)44/h6-8,12-13,16-17,19-20,25-26,30-34,53H,5,9-11,14-15,18,21-24H2,1-4H3,(H,45,55)(H,47,57)(H,48,54)(H,51,56)(H,59,60)(H4,43,44,46)(H2,49,50,61)/t25-,26+,30-,31?,32-,33+,34+/m1/s1
+CH$LINK: PUBCHEM CID: 44387258
+CH$LINK: INCHIKEY RAUPUVQHUFXDQT-XQEBCNPXSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-890
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.121 min
+MS$FOCUSED_ION: BASE_PEAK 426.2416
+MS$FOCUSED_ION: PRECURSOR_M/Z 851.4774
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00di-9410000000-4a2f48bcbed2970139b6
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  58.0651 C3H8N+ 1 58.0651 -0.53
+  60.0556 CH6N3+ 1 60.0556 -0.39
+  70.0651 C4H8N+ 1 70.0651 -0.19
+  71.0492 C4H7O+ 1 71.0491 0.94
+  73.0635 C2H7N3+ 1 73.0634 1.04
+  84.0808 C5H10N+ 1 84.0808 -0.22
+  86.0348 C2H4N3O+ 1 86.0349 -0.89
+  86.06 C4H8NO+ 1 86.06 0.02
+  86.0963 C5H12N+ 1 86.0964 -1.05
+  99.0439 C5H7O2+ 1 99.0441 -1.7
+  107.049 C7H7O+ 1 107.0491 -0.9
+  112.0868 C5H10N3+ 1 112.0869 -0.86
+  113.0709 C5H9N2O+ 1 113.0709 -0.11
+  114.0549 C5H8NO2+ 1 114.055 -0.85
+  115.0864 C5H11N2O+ 1 115.0866 -1.54
+  116.0705 C5H10NO2+ 1 116.0706 -0.76
+  120.0808 C8H10N+ 1 120.0808 0
+  129.1021 C6H13N2O+ 1 129.1022 -1.16
+  130.0974 C5H12N3O+ 1 130.0975 -0.9
+  141.0658 C6H9N2O2+ 1 141.0659 -0.25
+  142.0498 C6H8NO3+ 1 142.0499 -0.2
+  158.0926 C6H12N3O2+ 1 158.0924 1.31
+  159.0763 C6H11N2O3+ 1 159.0764 -0.57
+  201.0978 C7H13N4O3+ 3 201.0982 -2.2
+PK$NUM_PEAK: 24
+PK$PEAK: m/z int. rel.int.
+  58.0651 1412725.8 107
+  60.0556 2200145.8 167
+  70.0651 13103763 999
+  71.0492 737748.2 56
+  73.0635 191826.5 14
+  84.0808 3135103 239
+  86.0348 162549.5 12
+  86.06 725068.8 55
+  86.0963 268025.4 20
+  99.0439 198757.4 15
+  107.049 369073.4 28
+  112.0868 806264.1 61
+  113.0709 871902.3 66
+  114.0549 3777402.5 287
+  115.0864 432529 32
+  116.0705 574309.8 43
+  120.0808 861787 65
+  129.1021 265935.5 20
+  130.0974 2546206.5 194
+  141.0658 201367.7 15
+  142.0498 397396.8 30
+  158.0926 190802.3 14
+  159.0763 449773.2 34
+  201.0978 3520863.8 268
+//
diff --git a/Eawag/MSBNK-EAWAG-EC080509.txt b/Eawag/MSBNK-EAWAG-EC080509.txt
new file mode 100644
index 0000000000..55d8a8bf73
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC080509.txt
@@ -0,0 +1,79 @@
+ACCESSION: MSBNK-EAWAG-EC080509
+RECORD_TITLE: Anabaenopeptin F; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 805
+CH$NAME: Anabaenopeptin F
+CH$NAME: (2R)-2-(3-((3S,6S,12S,15R)-3-benzyl-12-((R)-sec-butyl)-9-(4-hydroxyphenethyl)-6,7-dimethyl-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)-5-((diaminomethylene)amino)pentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C42H62N10O9
+CH$EXACT_MASS: 850.4701236
+CH$SMILES: C[C@H]1C(N[C@@H](CC2=CC=CC=C2)C(NCCCC[C@@H](NC(N[C@@H](C(O)=O)CCC/N=C(N)\N)=O)C(N[C@@H]([C@H](C)CC)C(NC(CCC3=CC=C(O)C=C3)C(N1C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C42H62N10O9/c1-5-25(2)34-38(57)47-31(21-18-27-16-19-29(53)20-17-27)39(58)52(4)26(3)35(54)48-33(24-28-12-7-6-8-13-28)36(55)45-22-10-9-14-30(37(56)51-34)49-42(61)50-32(40(59)60)15-11-23-46-41(43)44/h6-8,12-13,16-17,19-20,25-26,30-34,53H,5,9-11,14-15,18,21-24H2,1-4H3,(H,45,55)(H,47,57)(H,48,54)(H,51,56)(H,59,60)(H4,43,44,46)(H2,49,50,61)/t25-,26+,30-,31?,32-,33+,34+/m1/s1
+CH$LINK: PUBCHEM CID: 44387258
+CH$LINK: INCHIKEY RAUPUVQHUFXDQT-XQEBCNPXSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-890
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.121 min
+MS$FOCUSED_ION: BASE_PEAK 426.2416
+MS$FOCUSED_ION: PRECURSOR_M/Z 851.4774
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00di-9200000000-01b57e32546f42c27aca
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  58.065 C3H8N+ 1 58.0651 -1.51
+  60.0556 CH6N3+ 1 60.0556 -1.21
+  70.065 C4H8N+ 1 70.0651 -1.17
+  71.0491 C4H7O+ 1 71.0491 -0.89
+  73.0634 C2H7N3+ 1 73.0634 -0.84
+  84.0807 C5H10N+ 1 84.0808 -1.04
+  86.0599 C4H8NO+ 1 86.06 -1.48
+  86.0962 C5H12N+ 1 86.0964 -3
+  99.0439 C5H7O2+ 1 99.0441 -1.32
+  107.049 C7H7O+ 1 107.0491 -1.75
+  112.0867 C5H10N3+ 1 112.0869 -1.81
+  113.0708 C5H9N2O+ 1 113.0709 -1.66
+  114.0548 C5H8NO2+ 1 114.055 -1.38
+  115.086 C5H11N2O+ 1 115.0866 -4.72
+  116.0709 C5H10NO2+ 1 116.0706 2.27
+  120.0807 C8H10N+ 1 120.0808 -0.89
+  130.0973 C5H12N3O+ 1 130.0975 -1.37
+  159.0759 C6H11N2O3+ 1 159.0764 -3.35
+  201.0976 C7H13N4O3+ 3 201.0982 -3.11
+PK$NUM_PEAK: 19
+PK$PEAK: m/z int. rel.int.
+  58.065 1495023 98
+  60.0556 2138956.2 141
+  70.065 15143852 999
+  71.0491 991561.6 65
+  73.0634 286744.9 18
+  84.0807 3129440.8 206
+  86.0599 599967.9 39
+  86.0962 254582 16
+  99.0439 197528.1 13
+  107.049 602430.6 39
+  112.0867 516104.5 34
+  113.0708 566026.3 37
+  114.0548 2782151 183
+  115.086 205999.3 13
+  116.0709 226810.8 14
+  120.0807 1122152.8 74
+  130.0973 1630904 107
+  159.0759 177902.2 11
+  201.0976 945240.1 62
+//
diff --git a/Eawag/MSBNK-EAWAG-EC080551.txt b/Eawag/MSBNK-EAWAG-EC080551.txt
new file mode 100644
index 0000000000..4fa36162ea
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC080551.txt
@@ -0,0 +1,51 @@
+ACCESSION: MSBNK-EAWAG-EC080551
+RECORD_TITLE: Anabaenopeptin F; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 805
+CH$NAME: Anabaenopeptin F
+CH$NAME: (2R)-2-(3-((3S,6S,12S,15R)-3-benzyl-12-((R)-sec-butyl)-9-(4-hydroxyphenethyl)-6,7-dimethyl-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)-5-((diaminomethylene)amino)pentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C42H62N10O9
+CH$EXACT_MASS: 850.4701236
+CH$SMILES: C[C@H]1C(N[C@@H](CC2=CC=CC=C2)C(NCCCC[C@@H](NC(N[C@@H](C(O)=O)CCC/N=C(N)\N)=O)C(N[C@@H]([C@H](C)CC)C(NC(CCC3=CC=C(O)C=C3)C(N1C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C42H62N10O9/c1-5-25(2)34-38(57)47-31(21-18-27-16-19-29(53)20-17-27)39(58)52(4)26(3)35(54)48-33(24-28-12-7-6-8-13-28)36(55)45-22-10-9-14-30(37(56)51-34)49-42(61)50-32(40(59)60)15-11-23-46-41(43)44/h6-8,12-13,16-17,19-20,25-26,30-34,53H,5,9-11,14-15,18,21-24H2,1-4H3,(H,45,55)(H,47,57)(H,48,54)(H,51,56)(H,59,60)(H4,43,44,46)(H2,49,50,61)/t25-,26+,30-,31?,32-,33+,34+/m1/s1
+CH$LINK: PUBCHEM CID: 44387258
+CH$LINK: INCHIKEY RAUPUVQHUFXDQT-XQEBCNPXSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-887
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.108 min
+MS$FOCUSED_ION: BASE_PEAK 849.4631
+MS$FOCUSED_ION: PRECURSOR_M/Z 849.4628
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-004j-0000009080-edb36d734a278d26ed5b
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  173.104 C6H13N4O2- 1 173.1044 -2.44
+  675.3508 C36H47N6O7- 6 675.3512 -0.49
+  676.3536 C31H48N8O9- 4 676.355 -2.05
+  831.4522 C42H59N10O8- 1 831.4523 -0.04
+  849.4627 C42H61N10O9- 1 849.4628 -0.15
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  173.104 193140.1 23
+  675.3508 8358806.5 999
+  676.3536 250514.6 29
+  831.4522 3239315 387
+  849.4627 5118054 611
+//
diff --git a/Eawag/MSBNK-EAWAG-EC080552.txt b/Eawag/MSBNK-EAWAG-EC080552.txt
new file mode 100644
index 0000000000..f095465a23
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC080552.txt
@@ -0,0 +1,51 @@
+ACCESSION: MSBNK-EAWAG-EC080552
+RECORD_TITLE: Anabaenopeptin F; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 805
+CH$NAME: Anabaenopeptin F
+CH$NAME: (2R)-2-(3-((3S,6S,12S,15R)-3-benzyl-12-((R)-sec-butyl)-9-(4-hydroxyphenethyl)-6,7-dimethyl-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)-5-((diaminomethylene)amino)pentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C42H62N10O9
+CH$EXACT_MASS: 850.4701236
+CH$SMILES: C[C@H]1C(N[C@@H](CC2=CC=CC=C2)C(NCCCC[C@@H](NC(N[C@@H](C(O)=O)CCC/N=C(N)\N)=O)C(N[C@@H]([C@H](C)CC)C(NC(CCC3=CC=C(O)C=C3)C(N1C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C42H62N10O9/c1-5-25(2)34-38(57)47-31(21-18-27-16-19-29(53)20-17-27)39(58)52(4)26(3)35(54)48-33(24-28-12-7-6-8-13-28)36(55)45-22-10-9-14-30(37(56)51-34)49-42(61)50-32(40(59)60)15-11-23-46-41(43)44/h6-8,12-13,16-17,19-20,25-26,30-34,53H,5,9-11,14-15,18,21-24H2,1-4H3,(H,45,55)(H,47,57)(H,48,54)(H,51,56)(H,59,60)(H4,43,44,46)(H2,49,50,61)/t25-,26+,30-,31?,32-,33+,34+/m1/s1
+CH$LINK: PUBCHEM CID: 44387258
+CH$LINK: INCHIKEY RAUPUVQHUFXDQT-XQEBCNPXSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-887
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.108 min
+MS$FOCUSED_ION: BASE_PEAK 849.4631
+MS$FOCUSED_ION: PRECURSOR_M/Z 849.4628
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-004i-0000009020-2e924d6a8857f9f242d9
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  173.1038 C6H13N4O2- 3 173.1044 -3.23
+  675.3509 C36H47N6O7- 6 675.3512 -0.4
+  676.3523 C31H48N8O9- 6 676.355 -3.95
+  831.452 C42H59N10O8- 1 831.4523 -0.33
+  849.4625 C42H61N10O9- 1 849.4628 -0.43
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  173.1038 1014565.3 74
+  675.3509 13677897 999
+  676.3523 571643.7 41
+  831.452 3228769.5 235
+  849.4625 447363.6 32
+//
diff --git a/Eawag/MSBNK-EAWAG-EC080553.txt b/Eawag/MSBNK-EAWAG-EC080553.txt
new file mode 100644
index 0000000000..6de595ad2c
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC080553.txt
@@ -0,0 +1,55 @@
+ACCESSION: MSBNK-EAWAG-EC080553
+RECORD_TITLE: Anabaenopeptin F; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 805
+CH$NAME: Anabaenopeptin F
+CH$NAME: (2R)-2-(3-((3S,6S,12S,15R)-3-benzyl-12-((R)-sec-butyl)-9-(4-hydroxyphenethyl)-6,7-dimethyl-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)-5-((diaminomethylene)amino)pentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C42H62N10O9
+CH$EXACT_MASS: 850.4701236
+CH$SMILES: C[C@H]1C(N[C@@H](CC2=CC=CC=C2)C(NCCCC[C@@H](NC(N[C@@H](C(O)=O)CCC/N=C(N)\N)=O)C(N[C@@H]([C@H](C)CC)C(NC(CCC3=CC=C(O)C=C3)C(N1C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C42H62N10O9/c1-5-25(2)34-38(57)47-31(21-18-27-16-19-29(53)20-17-27)39(58)52(4)26(3)35(54)48-33(24-28-12-7-6-8-13-28)36(55)45-22-10-9-14-30(37(56)51-34)49-42(61)50-32(40(59)60)15-11-23-46-41(43)44/h6-8,12-13,16-17,19-20,25-26,30-34,53H,5,9-11,14-15,18,21-24H2,1-4H3,(H,45,55)(H,47,57)(H,48,54)(H,51,56)(H,59,60)(H4,43,44,46)(H2,49,50,61)/t25-,26+,30-,31?,32-,33+,34+/m1/s1
+CH$LINK: PUBCHEM CID: 44387258
+CH$LINK: INCHIKEY RAUPUVQHUFXDQT-XQEBCNPXSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-887
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.108 min
+MS$FOCUSED_ION: BASE_PEAK 849.4631
+MS$FOCUSED_ION: PRECURSOR_M/Z 849.4628
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-004i-0100009010-e94aa881b1b7aa13226a
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  131.0824 C5H11N2O2- 1 131.0826 -1.65
+  173.1039 C6H13N4O2- 3 173.1044 -2.88
+  402.2142 C20H28N5O4- 5 402.2147 -1.17
+  675.351 C36H47N6O7- 6 675.3512 -0.22
+  676.3533 C31H48N8O9- 4 676.355 -2.5
+  789.4292 C41H57N8O8- 1 789.4305 -1.6
+  831.4521 C42H59N10O8- 1 831.4523 -0.26
+PK$NUM_PEAK: 7
+PK$PEAK: m/z int. rel.int.
+  131.0824 228766.4 19
+  173.1039 1963040.1 170
+  402.2142 446012.2 38
+  675.351 11523784 999
+  676.3533 479733.9 41
+  789.4292 246212 21
+  831.4521 1709223.6 148
+//
diff --git a/Eawag/MSBNK-EAWAG-EC080554.txt b/Eawag/MSBNK-EAWAG-EC080554.txt
new file mode 100644
index 0000000000..c6adb1ee74
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC080554.txt
@@ -0,0 +1,61 @@
+ACCESSION: MSBNK-EAWAG-EC080554
+RECORD_TITLE: Anabaenopeptin F; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 805
+CH$NAME: Anabaenopeptin F
+CH$NAME: (2R)-2-(3-((3S,6S,12S,15R)-3-benzyl-12-((R)-sec-butyl)-9-(4-hydroxyphenethyl)-6,7-dimethyl-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)-5-((diaminomethylene)amino)pentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C42H62N10O9
+CH$EXACT_MASS: 850.4701236
+CH$SMILES: C[C@H]1C(N[C@@H](CC2=CC=CC=C2)C(NCCCC[C@@H](NC(N[C@@H](C(O)=O)CCC/N=C(N)\N)=O)C(N[C@@H]([C@H](C)CC)C(NC(CCC3=CC=C(O)C=C3)C(N1C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C42H62N10O9/c1-5-25(2)34-38(57)47-31(21-18-27-16-19-29(53)20-17-27)39(58)52(4)26(3)35(54)48-33(24-28-12-7-6-8-13-28)36(55)45-22-10-9-14-30(37(56)51-34)49-42(61)50-32(40(59)60)15-11-23-46-41(43)44/h6-8,12-13,16-17,19-20,25-26,30-34,53H,5,9-11,14-15,18,21-24H2,1-4H3,(H,45,55)(H,47,57)(H,48,54)(H,51,56)(H,59,60)(H4,43,44,46)(H2,49,50,61)/t25-,26+,30-,31?,32-,33+,34+/m1/s1
+CH$LINK: PUBCHEM CID: 44387258
+CH$LINK: INCHIKEY RAUPUVQHUFXDQT-XQEBCNPXSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-887
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.108 min
+MS$FOCUSED_ION: BASE_PEAK 849.4631
+MS$FOCUSED_ION: PRECURSOR_M/Z 849.4628
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-004i-0300109000-9db4dfd74bf5458917d1
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  131.0825 C5H11N2O2- 1 131.0826 -1.07
+  156.0777 C6H10N3O2- 1 156.0779 -0.96
+  173.1039 C6H13N4O2- 3 173.1044 -2.97
+  370.2125 C19H26N6O2- 5 370.2123 0.65
+  402.2141 C20H28N5O4- 5 402.2147 -1.32
+  649.372 C35H49N6O6- 7 649.3719 0.12
+  675.351 C36H47N6O7- 6 675.3512 -0.31
+  676.353 C31H48N8O9- 4 676.355 -2.87
+  789.4312 C41H57N8O8- 1 789.4305 0.95
+  831.4519 C42H59N10O8- 1 831.4523 -0.48
+PK$NUM_PEAK: 10
+PK$PEAK: m/z int. rel.int.
+  131.0825 714467.1 97
+  156.0777 79780 10
+  173.1039 2507996 341
+  370.2125 104630.5 14
+  402.2141 1599080.9 217
+  649.372 346183 47
+  675.351 7339653 999
+  676.353 293756 39
+  789.4312 301511.2 41
+  831.4519 615493.1 83
+//
diff --git a/Eawag/MSBNK-EAWAG-EC080555.txt b/Eawag/MSBNK-EAWAG-EC080555.txt
new file mode 100644
index 0000000000..58f8a57ab7
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC080555.txt
@@ -0,0 +1,87 @@
+ACCESSION: MSBNK-EAWAG-EC080555
+RECORD_TITLE: Anabaenopeptin F; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 805
+CH$NAME: Anabaenopeptin F
+CH$NAME: (2R)-2-(3-((3S,6S,12S,15R)-3-benzyl-12-((R)-sec-butyl)-9-(4-hydroxyphenethyl)-6,7-dimethyl-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)-5-((diaminomethylene)amino)pentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C42H62N10O9
+CH$EXACT_MASS: 850.4701236
+CH$SMILES: C[C@H]1C(N[C@@H](CC2=CC=CC=C2)C(NCCCC[C@@H](NC(N[C@@H](C(O)=O)CCC/N=C(N)\N)=O)C(N[C@@H]([C@H](C)CC)C(NC(CCC3=CC=C(O)C=C3)C(N1C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C42H62N10O9/c1-5-25(2)34-38(57)47-31(21-18-27-16-19-29(53)20-17-27)39(58)52(4)26(3)35(54)48-33(24-28-12-7-6-8-13-28)36(55)45-22-10-9-14-30(37(56)51-34)49-42(61)50-32(40(59)60)15-11-23-46-41(43)44/h6-8,12-13,16-17,19-20,25-26,30-34,53H,5,9-11,14-15,18,21-24H2,1-4H3,(H,45,55)(H,47,57)(H,48,54)(H,51,56)(H,59,60)(H4,43,44,46)(H2,49,50,61)/t25-,26+,30-,31?,32-,33+,34+/m1/s1
+CH$LINK: PUBCHEM CID: 44387258
+CH$LINK: INCHIKEY RAUPUVQHUFXDQT-XQEBCNPXSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-887
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.108 min
+MS$FOCUSED_ION: BASE_PEAK 849.4631
+MS$FOCUSED_ION: PRECURSOR_M/Z 849.4628
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0089-0911200000-09bd777ba70d07b0da60
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  101.0719 C4H9N2O- 1 101.072 -1.43
+  102.0562 C4H8NO2- 1 102.0561 0.99
+  114.056 C5H8NO2- 1 114.0561 -0.6
+  119.0502 C8H7O- 1 119.0502 -0.59
+  127.0511 C5H7N2O2- 1 127.0513 -1.57
+  131.0825 C5H11N2O2- 1 131.0826 -0.84
+  139.0875 C7H11N2O- 1 139.0877 -1.3
+  141.0666 C6H9N2O2- 1 141.067 -2.19
+  146.0611 C9H8NO- 1 146.0611 0.04
+  153.0666 C7H9N2O2- 1 153.067 -2.61
+  155.0821 C7H11N2O2- 1 155.0826 -3
+  156.0775 C6H10N3O2- 1 156.0779 -2.33
+  160.076 C10H10NO- 2 160.0768 -4.68
+  166.0867 C7H10N4O- 2 166.086 4.37
+  173.1039 C6H13N4O2- 3 173.1044 -2.97
+  189.0663 C8H7N5O- 2 189.0656 3.6
+  198.0991 C7H12N5O2- 3 198.0996 -2.93
+  227.1183 C12H13N5- 2 227.1176 2.84
+  229.134 C14H17N2O- 3 229.1346 -2.56
+  261.1235 C12H15N5O2- 2 261.1231 1.59
+  331.2132 C17H31O6- 4 331.2126 1.69
+  402.2142 C20H28N5O4- 5 402.2147 -1.24
+  675.3513 C36H47N6O7- 6 675.3512 0.23
+PK$NUM_PEAK: 23
+PK$PEAK: m/z int. rel.int.
+  101.0719 93165.3 38
+  102.0562 53552 21
+  114.056 38960.6 15
+  119.0502 110859.3 45
+  127.0511 97669.1 40
+  131.0825 2436947.2 999
+  139.0875 53512.3 21
+  141.0666 85580.9 35
+  146.0611 79396.7 32
+  153.0666 40225.6 16
+  155.0821 46342 18
+  156.0775 345896.1 141
+  160.076 116039 47
+  166.0867 41410.1 16
+  173.1039 1912560.8 784
+  189.0663 149546.4 61
+  198.0991 105230.1 43
+  227.1183 91323 37
+  229.134 457280.5 187
+  261.1235 262170.8 107
+  331.2132 947403.9 388
+  402.2142 1564006.8 641
+  675.3513 524420.8 214
+//
diff --git a/Eawag/MSBNK-EAWAG-EC080556.txt b/Eawag/MSBNK-EAWAG-EC080556.txt
new file mode 100644
index 0000000000..e081e6e1ca
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC080556.txt
@@ -0,0 +1,93 @@
+ACCESSION: MSBNK-EAWAG-EC080556
+RECORD_TITLE: Anabaenopeptin F; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 805
+CH$NAME: Anabaenopeptin F
+CH$NAME: (2R)-2-(3-((3S,6S,12S,15R)-3-benzyl-12-((R)-sec-butyl)-9-(4-hydroxyphenethyl)-6,7-dimethyl-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)-5-((diaminomethylene)amino)pentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C42H62N10O9
+CH$EXACT_MASS: 850.4701236
+CH$SMILES: C[C@H]1C(N[C@@H](CC2=CC=CC=C2)C(NCCCC[C@@H](NC(N[C@@H](C(O)=O)CCC/N=C(N)\N)=O)C(N[C@@H]([C@H](C)CC)C(NC(CCC3=CC=C(O)C=C3)C(N1C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C42H62N10O9/c1-5-25(2)34-38(57)47-31(21-18-27-16-19-29(53)20-17-27)39(58)52(4)26(3)35(54)48-33(24-28-12-7-6-8-13-28)36(55)45-22-10-9-14-30(37(56)51-34)49-42(61)50-32(40(59)60)15-11-23-46-41(43)44/h6-8,12-13,16-17,19-20,25-26,30-34,53H,5,9-11,14-15,18,21-24H2,1-4H3,(H,45,55)(H,47,57)(H,48,54)(H,51,56)(H,59,60)(H4,43,44,46)(H2,49,50,61)/t25-,26+,30-,31?,32-,33+,34+/m1/s1
+CH$LINK: PUBCHEM CID: 44387258
+CH$LINK: INCHIKEY RAUPUVQHUFXDQT-XQEBCNPXSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-887
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.108 min
+MS$FOCUSED_ION: BASE_PEAK 849.4631
+MS$FOCUSED_ION: PRECURSOR_M/Z 849.4628
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-001i-0910000000-235a7ad8ce71028d6306
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  93.0347 C6H5O- 1 93.0346 1.07
+  99.02 C3H3N2O2- 1 99.02 0.26
+  101.0719 C4H9N2O- 1 101.072 -0.98
+  102.0558 C4H8NO2- 1 102.0561 -2.37
+  107.0501 C7H7O- 1 107.0502 -1.7
+  114.056 C5H8NO2- 1 114.0561 -0.4
+  119.0502 C8H7O- 1 119.0502 -0.53
+  127.0512 C5H7N2O2- 1 127.0513 -0.67
+  129.1033 C6H13N2O- 1 129.1033 -0.03
+  131.0825 C5H11N2O2- 1 131.0826 -1.07
+  139.0874 C7H11N2O- 1 139.0877 -1.96
+  141.0665 C6H9N2O2- 1 141.067 -3.16
+  146.0609 C9H8NO- 1 146.0611 -1.95
+  153.0667 C7H9N2O2- 1 153.067 -1.61
+  156.0775 C6H10N3O2- 1 156.0779 -2.23
+  160.0764 C10H10NO- 1 160.0768 -2.2
+  166.0864 C7H10N4O- 1 166.086 2.35
+  173.1038 C6H13N4O2- 3 173.1044 -3.41
+  189.066 C8H7N5O- 1 189.0656 1.9
+  207.113 C9H13N5O- 2 207.1126 2.21
+  227.1185 C14H15N2O- 3 227.119 -2.06
+  229.134 C14H17N2O- 3 229.1346 -2.76
+  231.1134 C13H15N2O2- 2 231.1139 -2.09
+  261.1232 C12H15N5O2- 2 261.1231 0.42
+  300.1346 C14H16N6O2- 3 300.134 1.81
+  331.213 C17H31O6- 4 331.2126 1.23
+PK$NUM_PEAK: 26
+PK$PEAK: m/z int. rel.int.
+  93.0347 49483.8 13
+  99.02 42950.7 11
+  101.0719 329354.5 90
+  102.0558 63458.8 17
+  107.0501 156956.3 42
+  114.056 73323.5 20
+  119.0502 251265.2 68
+  127.0512 118286.4 32
+  129.1033 36756.7 10
+  131.0825 3653375.8 999
+  139.0874 89494.7 24
+  141.0665 188363.2 51
+  146.0609 253296.6 69
+  153.0667 95056.5 25
+  156.0775 372220.4 101
+  160.0764 194738.3 53
+  166.0864 62075.8 16
+  173.1038 722371.5 197
+  189.066 131583.4 35
+  207.113 60010.1 16
+  227.1185 207565.3 56
+  229.134 912758 249
+  231.1134 133506.3 36
+  261.1232 103515.8 28
+  300.1346 306804 83
+  331.213 308936.5 84
+//
diff --git a/Eawag/MSBNK-EAWAG-EC080557.txt b/Eawag/MSBNK-EAWAG-EC080557.txt
new file mode 100644
index 0000000000..87a592d757
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC080557.txt
@@ -0,0 +1,87 @@
+ACCESSION: MSBNK-EAWAG-EC080557
+RECORD_TITLE: Anabaenopeptin F; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 805
+CH$NAME: Anabaenopeptin F
+CH$NAME: (2R)-2-(3-((3S,6S,12S,15R)-3-benzyl-12-((R)-sec-butyl)-9-(4-hydroxyphenethyl)-6,7-dimethyl-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)-5-((diaminomethylene)amino)pentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C42H62N10O9
+CH$EXACT_MASS: 850.4701236
+CH$SMILES: C[C@H]1C(N[C@@H](CC2=CC=CC=C2)C(NCCCC[C@@H](NC(N[C@@H](C(O)=O)CCC/N=C(N)\N)=O)C(N[C@@H]([C@H](C)CC)C(NC(CCC3=CC=C(O)C=C3)C(N1C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C42H62N10O9/c1-5-25(2)34-38(57)47-31(21-18-27-16-19-29(53)20-17-27)39(58)52(4)26(3)35(54)48-33(24-28-12-7-6-8-13-28)36(55)45-22-10-9-14-30(37(56)51-34)49-42(61)50-32(40(59)60)15-11-23-46-41(43)44/h6-8,12-13,16-17,19-20,25-26,30-34,53H,5,9-11,14-15,18,21-24H2,1-4H3,(H,45,55)(H,47,57)(H,48,54)(H,51,56)(H,59,60)(H4,43,44,46)(H2,49,50,61)/t25-,26+,30-,31?,32-,33+,34+/m1/s1
+CH$LINK: PUBCHEM CID: 44387258
+CH$LINK: INCHIKEY RAUPUVQHUFXDQT-XQEBCNPXSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-887
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.108 min
+MS$FOCUSED_ION: BASE_PEAK 849.4631
+MS$FOCUSED_ION: PRECURSOR_M/Z 849.4628
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-001i-0900000000-5736b781765bcf310ac8
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  93.0345 C6H5O- 1 93.0346 -1.06
+  99.0201 C3H3N2O2- 1 99.02 0.57
+  101.0719 C4H9N2O- 1 101.072 -0.9
+  102.0559 C4H8NO2- 1 102.0561 -1.93
+  107.0501 C7H7O- 1 107.0502 -1.49
+  111.0198 C4H3N2O2- 1 111.02 -1.5
+  114.056 C5H8NO2- 1 114.0561 -0.66
+  119.0502 C8H7O- 1 119.0502 -0.66
+  127.0511 C5H7N2O2- 1 127.0513 -1.27
+  131.0825 C5H11N2O2- 1 131.0826 -0.72
+  139.0874 C7H11N2O- 1 139.0877 -1.96
+  141.0669 C6H9N2O2- 1 141.067 -0.46
+  146.061 C9H8NO- 1 146.0611 -1.21
+  153.0667 C7H9N2O2- 1 153.067 -1.31
+  155.1182 C6H13N5- 1 155.1176 3.64
+  156.0775 C6H10N3O2- 1 156.0779 -2.23
+  160.0763 C10H10NO- 1 160.0768 -3.15
+  170.0929 C7H12N3O2- 2 170.0935 -3.48
+  173.1037 C6H13N4O2- 3 173.1044 -3.76
+  189.066 C8H7N5O- 2 189.0656 2.31
+  207.1132 C9H13N5O- 2 207.1126 3.17
+  227.1184 C14H15N2O- 3 227.119 -2.4
+  229.1341 C14H17N2O- 3 229.1346 -2.23
+PK$NUM_PEAK: 23
+PK$PEAK: m/z int. rel.int.
+  93.0345 65308.2 14
+  99.0201 81334.4 18
+  101.0719 426684.6 96
+  102.0559 76007.8 17
+  107.0501 199655.7 45
+  111.0198 45880.1 10
+  114.056 71480.8 16
+  119.0502 265973.2 60
+  127.0511 129518.9 29
+  131.0825 4411198 999
+  139.0874 97116 21
+  141.0669 187958.2 42
+  146.061 267258.2 60
+  153.0667 96190 21
+  155.1182 56940.8 12
+  156.0775 312696.6 70
+  160.0763 120098.6 27
+  170.0929 75778.3 17
+  173.1037 271232.7 61
+  189.066 85512.5 19
+  207.1132 55963.9 12
+  227.1184 204915.5 46
+  229.1341 445583.5 100
+//
diff --git a/Eawag/MSBNK-EAWAG-EC080558.txt b/Eawag/MSBNK-EAWAG-EC080558.txt
new file mode 100644
index 0000000000..d14db89463
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC080558.txt
@@ -0,0 +1,77 @@
+ACCESSION: MSBNK-EAWAG-EC080558
+RECORD_TITLE: Anabaenopeptin F; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 805
+CH$NAME: Anabaenopeptin F
+CH$NAME: (2R)-2-(3-((3S,6S,12S,15R)-3-benzyl-12-((R)-sec-butyl)-9-(4-hydroxyphenethyl)-6,7-dimethyl-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)-5-((diaminomethylene)amino)pentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C42H62N10O9
+CH$EXACT_MASS: 850.4701236
+CH$SMILES: C[C@H]1C(N[C@@H](CC2=CC=CC=C2)C(NCCCC[C@@H](NC(N[C@@H](C(O)=O)CCC/N=C(N)\N)=O)C(N[C@@H]([C@H](C)CC)C(NC(CCC3=CC=C(O)C=C3)C(N1C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C42H62N10O9/c1-5-25(2)34-38(57)47-31(21-18-27-16-19-29(53)20-17-27)39(58)52(4)26(3)35(54)48-33(24-28-12-7-6-8-13-28)36(55)45-22-10-9-14-30(37(56)51-34)49-42(61)50-32(40(59)60)15-11-23-46-41(43)44/h6-8,12-13,16-17,19-20,25-26,30-34,53H,5,9-11,14-15,18,21-24H2,1-4H3,(H,45,55)(H,47,57)(H,48,54)(H,51,56)(H,59,60)(H4,43,44,46)(H2,49,50,61)/t25-,26+,30-,31?,32-,33+,34+/m1/s1
+CH$LINK: PUBCHEM CID: 44387258
+CH$LINK: INCHIKEY RAUPUVQHUFXDQT-XQEBCNPXSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-887
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.108 min
+MS$FOCUSED_ION: BASE_PEAK 849.4631
+MS$FOCUSED_ION: PRECURSOR_M/Z 849.4628
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-001i-0900000000-d0fa6a8bd1b0338e2ce1
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  58.041 CH4N3- 1 58.0411 -2.03
+  98.0121 C3H2N2O2- 1 98.0122 -1
+  99.0197 C3H3N2O2- 1 99.02 -2.82
+  101.0719 C4H9N2O- 1 101.072 -1.2
+  107.0502 C7H7O- 1 107.0502 -0.7
+  111.0197 C4H3N2O2- 1 111.02 -2.32
+  114.0559 C5H8NO2- 1 114.0561 -1.13
+  119.0501 C8H7O- 1 119.0502 -0.85
+  127.0512 C5H7N2O2- 1 127.0513 -1.03
+  131.0825 C5H11N2O2- 1 131.0826 -1.07
+  139.0873 C7H11N2O- 1 139.0877 -3.05
+  141.0665 C6H9N2O2- 1 141.067 -3.38
+  146.0608 C9H8NO- 1 146.0611 -2.05
+  153.0667 C7H9N2O2- 1 153.067 -1.51
+  156.0773 C6H10N3O2- 2 156.0779 -3.8
+  160.0761 C10H10NO- 2 160.0768 -4.2
+  227.1181 C12H13N5- 2 227.1176 2.1
+  229.1341 C14H17N2O- 3 229.1346 -2.3
+PK$NUM_PEAK: 18
+PK$PEAK: m/z int. rel.int.
+  58.041 47001.6 10
+  98.0121 55422.5 11
+  99.0197 75851.6 16
+  101.0719 325110.8 70
+  107.0502 206300.8 44
+  111.0197 57346.2 12
+  114.0559 101233.4 21
+  119.0501 278016.4 60
+  127.0512 119691.1 25
+  131.0825 4625377 999
+  139.0873 77167 16
+  141.0665 118559.8 25
+  146.0608 156267.7 33
+  153.0667 78823.6 17
+  156.0773 169573.4 36
+  160.0761 73045.3 15
+  227.1181 94886.5 20
+  229.1341 139919 30
+//
diff --git a/Eawag/MSBNK-EAWAG-EC080559.txt b/Eawag/MSBNK-EAWAG-EC080559.txt
new file mode 100644
index 0000000000..e786969e12
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC080559.txt
@@ -0,0 +1,69 @@
+ACCESSION: MSBNK-EAWAG-EC080559
+RECORD_TITLE: Anabaenopeptin F; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 805
+CH$NAME: Anabaenopeptin F
+CH$NAME: (2R)-2-(3-((3S,6S,12S,15R)-3-benzyl-12-((R)-sec-butyl)-9-(4-hydroxyphenethyl)-6,7-dimethyl-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)-5-((diaminomethylene)amino)pentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C42H62N10O9
+CH$EXACT_MASS: 850.4701236
+CH$SMILES: C[C@H]1C(N[C@@H](CC2=CC=CC=C2)C(NCCCC[C@@H](NC(N[C@@H](C(O)=O)CCC/N=C(N)\N)=O)C(N[C@@H]([C@H](C)CC)C(NC(CCC3=CC=C(O)C=C3)C(N1C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C42H62N10O9/c1-5-25(2)34-38(57)47-31(21-18-27-16-19-29(53)20-17-27)39(58)52(4)26(3)35(54)48-33(24-28-12-7-6-8-13-28)36(55)45-22-10-9-14-30(37(56)51-34)49-42(61)50-32(40(59)60)15-11-23-46-41(43)44/h6-8,12-13,16-17,19-20,25-26,30-34,53H,5,9-11,14-15,18,21-24H2,1-4H3,(H,45,55)(H,47,57)(H,48,54)(H,51,56)(H,59,60)(H4,43,44,46)(H2,49,50,61)/t25-,26+,30-,31?,32-,33+,34+/m1/s1
+CH$LINK: PUBCHEM CID: 44387258
+CH$LINK: INCHIKEY RAUPUVQHUFXDQT-XQEBCNPXSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-887
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.108 min
+MS$FOCUSED_ION: BASE_PEAK 849.4631
+MS$FOCUSED_ION: PRECURSOR_M/Z 849.4628
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-001i-0900000000-bfe2af7f3ea4e63734bf
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  58.0411 CH4N3- 1 58.0411 -0.06
+  93.0348 C6H5O- 1 93.0346 2.22
+  98.012 C3H2N2O2- 1 98.0122 -1.39
+  99.0198 C3H3N2O2- 1 99.02 -2.43
+  101.0719 C4H9N2O- 1 101.072 -1.51
+  107.05 C7H7O- 1 107.0502 -1.99
+  111.0201 C4H3N2O2- 1 111.02 1.25
+  114.0558 C5H8NO2- 1 114.0561 -2.07
+  119.0501 C8H7O- 1 119.0502 -0.79
+  127.0511 C5H7N2O2- 1 127.0513 -1.63
+  131.0825 C5H11N2O2- 1 131.0826 -0.84
+  146.0609 C9H8NO- 1 146.0611 -1.63
+  153.0668 C7H9N2O2- 1 153.067 -1.12
+  156.0778 C6H10N3O2- 1 156.0779 -0.47
+PK$NUM_PEAK: 14
+PK$PEAK: m/z int. rel.int.
+  58.0411 45556.7 12
+  93.0348 71391 19
+  98.012 56627.5 15
+  99.0198 74125.8 20
+  101.0719 166308.2 45
+  107.05 146129.6 40
+  111.0201 69041.1 18
+  114.0558 67508 18
+  119.0501 264209.3 72
+  127.0511 78509.7 21
+  131.0825 3641250.8 999
+  146.0609 65289.7 17
+  153.0668 39272.3 10
+  156.0778 75226.4 20
+//
diff --git a/Eawag/MSBNK-EAWAG-EC081101.txt b/Eawag/MSBNK-EAWAG-EC081101.txt
new file mode 100644
index 0000000000..898c4dba6c
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC081101.txt
@@ -0,0 +1,57 @@
+ACCESSION: MSBNK-EAWAG-EC081101
+RECORD_TITLE: Schizopeptin 791; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1093/femsec/fiaa243
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 811
+CH$NAME: Schizopeptin 791
+CH$NAME: (((3S,6S,9S,12S,15R)-3-benzyl-12-((S)-sec-butyl)-6,7-dimethyl-2,5,8,11,14-pentaoxo-9-phenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)carbamoyl)-L-isoleucine
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C42H61N7O8
+CH$EXACT_MASS: 791.4581619
+CH$SMILES: C[C@H]([C@H]1C(N[C@@H](CCC2=CC=CC=C2)C(N(C)[C@@H](C)C(N[C@@H](CC3=CC=CC=C3)C(NCCCC[C@@H](NC(N[C@H](C(O)=O)[C@H](CC)C)=O)C(N1)=O)=O)=O)=O)=O)CC
+CH$IUPAC: InChI=1S/C42H61N7O8/c1-7-26(3)34-39(53)44-32(23-22-29-17-11-9-12-18-29)40(54)49(6)28(5)36(50)45-33(25-30-19-13-10-14-20-30)37(51)43-24-16-15-21-31(38(52)47-34)46-42(57)48-35(41(55)56)27(4)8-2/h9-14,17-20,26-28,31-35H,7-8,15-16,21-25H2,1-6H3,(H,43,51)(H,44,53)(H,45,50)(H,47,52)(H,55,56)(H2,46,48,57)/t26-,27-,28-,31+,32-,33-,34-,35-/m0/s1
+CH$LINK: PUBCHEM CID:10985632
+CH$LINK: INCHIKEY UHGIIADZWWCEKS-NDSQDYTJSA-N
+CH$LINK: CHEMSPIDER 8570954
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-829
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.417 min
+MS$FOCUSED_ION: BASE_PEAK 132.958
+MS$FOCUSED_ION: PRECURSOR_M/Z 792.4654
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0006-0000001900-f5892fb9219bf7c9491a
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  84.0809 C5H10N+ 1 84.0808 0.97
+  490.3013 C25H40N5O5+ 3 490.3024 -2.16
+  635.3916 C35H51N6O5+ 5 635.3915 0.09
+  661.3702 C38H51N3O7+ 4 661.3722 -2.93
+  764.4729 C41H62N7O7+ 1 764.4705 3.07
+  774.4532 C42H60N7O7+ 1 774.4549 -2.13
+  792.4654 C42H62N7O8+ 1 792.4654 -0.07
+PK$NUM_PEAK: 7
+PK$PEAK: m/z int. rel.int.
+  84.0809 9909 15
+  490.3013 6850.4 10
+  635.3916 68821.9 107
+  661.3702 41177 64
+  764.4729 16406.2 25
+  774.4532 16150.8 25
+  792.4654 640361.6 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC081102.txt b/Eawag/MSBNK-EAWAG-EC081102.txt
new file mode 100644
index 0000000000..2df85afbfa
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC081102.txt
@@ -0,0 +1,57 @@
+ACCESSION: MSBNK-EAWAG-EC081102
+RECORD_TITLE: Schizopeptin 791; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1093/femsec/fiaa243
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 811
+CH$NAME: Schizopeptin 791
+CH$NAME: (((3S,6S,9S,12S,15R)-3-benzyl-12-((S)-sec-butyl)-6,7-dimethyl-2,5,8,11,14-pentaoxo-9-phenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)carbamoyl)-L-isoleucine
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C42H61N7O8
+CH$EXACT_MASS: 791.4581619
+CH$SMILES: C[C@H]([C@H]1C(N[C@@H](CCC2=CC=CC=C2)C(N(C)[C@@H](C)C(N[C@@H](CC3=CC=CC=C3)C(NCCCC[C@@H](NC(N[C@H](C(O)=O)[C@H](CC)C)=O)C(N1)=O)=O)=O)=O)=O)CC
+CH$IUPAC: InChI=1S/C42H61N7O8/c1-7-26(3)34-39(53)44-32(23-22-29-17-11-9-12-18-29)40(54)49(6)28(5)36(50)45-33(25-30-19-13-10-14-20-30)37(51)43-24-16-15-21-31(38(52)47-34)46-42(57)48-35(41(55)56)27(4)8-2/h9-14,17-20,26-28,31-35H,7-8,15-16,21-25H2,1-6H3,(H,43,51)(H,44,53)(H,45,50)(H,47,52)(H,55,56)(H2,46,48,57)/t26-,27-,28-,31+,32-,33-,34-,35-/m0/s1
+CH$LINK: PUBCHEM CID:10985632
+CH$LINK: INCHIKEY UHGIIADZWWCEKS-NDSQDYTJSA-N
+CH$LINK: CHEMSPIDER 8570954
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-829
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.417 min
+MS$FOCUSED_ION: BASE_PEAK 132.958
+MS$FOCUSED_ION: PRECURSOR_M/Z 792.4654
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0016-2000009600-56881bfe786ed457e9ff
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  84.0807 C5H10N+ 1 84.0808 -0.67
+  405.2135 C18H27N7O4+ 3 405.2119 3.82
+  631.3819 C32H51N6O7+ 3 631.3814 0.82
+  635.3907 C35H51N6O5+ 3 635.3915 -1.35
+  661.3715 C38H51N3O7+ 4 661.3722 -0.99
+  679.3818 C39H49N7O4+ 3 679.3841 -3.26
+  792.4647 C42H62N7O8+ 1 792.4654 -0.99
+PK$NUM_PEAK: 7
+PK$PEAK: m/z int. rel.int.
+  84.0807 97501.6 395
+  405.2135 23164.6 93
+  631.3819 89845 364
+  635.3907 136463.5 553
+  661.3715 89759.2 364
+  679.3818 31238.5 126
+  792.4647 246256.2 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC081103.txt b/Eawag/MSBNK-EAWAG-EC081103.txt
new file mode 100644
index 0000000000..71e76fb47f
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC081103.txt
@@ -0,0 +1,67 @@
+ACCESSION: MSBNK-EAWAG-EC081103
+RECORD_TITLE: Schizopeptin 791; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1093/femsec/fiaa243
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 811
+CH$NAME: Schizopeptin 791
+CH$NAME: (((3S,6S,9S,12S,15R)-3-benzyl-12-((S)-sec-butyl)-6,7-dimethyl-2,5,8,11,14-pentaoxo-9-phenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)carbamoyl)-L-isoleucine
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C42H61N7O8
+CH$EXACT_MASS: 791.4581619
+CH$SMILES: C[C@H]([C@H]1C(N[C@@H](CCC2=CC=CC=C2)C(N(C)[C@@H](C)C(N[C@@H](CC3=CC=CC=C3)C(NCCCC[C@@H](NC(N[C@H](C(O)=O)[C@H](CC)C)=O)C(N1)=O)=O)=O)=O)=O)CC
+CH$IUPAC: InChI=1S/C42H61N7O8/c1-7-26(3)34-39(53)44-32(23-22-29-17-11-9-12-18-29)40(54)49(6)28(5)36(50)45-33(25-30-19-13-10-14-20-30)37(51)43-24-16-15-21-31(38(52)47-34)46-42(57)48-35(41(55)56)27(4)8-2/h9-14,17-20,26-28,31-35H,7-8,15-16,21-25H2,1-6H3,(H,43,51)(H,44,53)(H,45,50)(H,47,52)(H,55,56)(H2,46,48,57)/t26-,27-,28-,31+,32-,33-,34-,35-/m0/s1
+CH$LINK: PUBCHEM CID:10985632
+CH$LINK: INCHIKEY UHGIIADZWWCEKS-NDSQDYTJSA-N
+CH$LINK: CHEMSPIDER 8570954
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-829
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.417 min
+MS$FOCUSED_ION: BASE_PEAK 132.958
+MS$FOCUSED_ION: PRECURSOR_M/Z 792.4654
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-001i-9142333000-cdf4759df68b404a54f3
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  58.0652 C3H8N+ 1 58.0651 1.52
+  84.0808 C5H10N+ 1 84.0808 -0.12
+  114.0548 C5H8NO2+ 1 114.055 -1.01
+  231.1491 C14H19N2O+ 2 231.1492 -0.55
+  233.1279 C13H17N2O2+ 2 233.1285 -2.53
+  247.1434 C14H19N2O2+ 2 247.1441 -3.02
+  360.2278 C20H30N3O3+ 3 360.2282 -1.14
+  405.2099 C18H27N7O4+ 4 405.2119 -4.84
+  433.2446 C20H31N7O4+ 3 433.2432 3.31
+  518.2964 C40H38+ 3 518.2968 -0.82
+  631.3807 C32H51N6O7+ 2 631.3814 -1.02
+  792.465 C42H62N7O8+ 1 792.4654 -0.53
+PK$NUM_PEAK: 12
+PK$PEAK: m/z int. rel.int.
+  58.0652 15120.8 60
+  84.0808 248952.6 999
+  114.0548 44097.3 176
+  231.1491 27839.1 111
+  233.1279 27827.7 111
+  247.1434 71384.3 286
+  360.2278 70426.7 282
+  405.2099 70919.8 284
+  433.2446 19984.2 80
+  518.2964 88585.4 355
+  631.3807 94853.3 380
+  792.465 21805.3 87
+//
diff --git a/Eawag/MSBNK-EAWAG-EC081104.txt b/Eawag/MSBNK-EAWAG-EC081104.txt
new file mode 100644
index 0000000000..f6ba6feb51
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC081104.txt
@@ -0,0 +1,63 @@
+ACCESSION: MSBNK-EAWAG-EC081104
+RECORD_TITLE: Schizopeptin 791; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1093/femsec/fiaa243
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 811
+CH$NAME: Schizopeptin 791
+CH$NAME: (((3S,6S,9S,12S,15R)-3-benzyl-12-((S)-sec-butyl)-6,7-dimethyl-2,5,8,11,14-pentaoxo-9-phenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)carbamoyl)-L-isoleucine
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C42H61N7O8
+CH$EXACT_MASS: 791.4581619
+CH$SMILES: C[C@H]([C@H]1C(N[C@@H](CCC2=CC=CC=C2)C(N(C)[C@@H](C)C(N[C@@H](CC3=CC=CC=C3)C(NCCCC[C@@H](NC(N[C@H](C(O)=O)[C@H](CC)C)=O)C(N1)=O)=O)=O)=O)=O)CC
+CH$IUPAC: InChI=1S/C42H61N7O8/c1-7-26(3)34-39(53)44-32(23-22-29-17-11-9-12-18-29)40(54)49(6)28(5)36(50)45-33(25-30-19-13-10-14-20-30)37(51)43-24-16-15-21-31(38(52)47-34)46-42(57)48-35(41(55)56)27(4)8-2/h9-14,17-20,26-28,31-35H,7-8,15-16,21-25H2,1-6H3,(H,43,51)(H,44,53)(H,45,50)(H,47,52)(H,55,56)(H2,46,48,57)/t26-,27-,28-,31+,32-,33-,34-,35-/m0/s1
+CH$LINK: PUBCHEM CID:10985632
+CH$LINK: INCHIKEY UHGIIADZWWCEKS-NDSQDYTJSA-N
+CH$LINK: CHEMSPIDER 8570954
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-829
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.417 min
+MS$FOCUSED_ION: BASE_PEAK 132.958
+MS$FOCUSED_ION: PRECURSOR_M/Z 792.4654
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-001i-9231200000-6bb2da297af30767ecd4
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  58.0652 C3H8N+ 1 58.0651 0.47
+  84.0808 C5H10N+ 1 84.0808 -0.21
+  86.0601 C4H8NO+ 1 86.06 0.54
+  114.0549 C5H8NO2+ 1 114.055 -0.61
+  231.1481 C14H19N2O+ 2 231.1492 -4.84
+  233.1279 C13H17N2O2+ 2 233.1285 -2.53
+  247.1442 C14H19N2O2+ 2 247.1441 0.31
+  360.2278 C20H30N3O3+ 3 360.2282 -1.06
+  405.2108 C18H27N7O4+ 3 405.2119 -2.65
+  548.3228 C31H42N5O4+ 4 548.3231 -0.63
+PK$NUM_PEAK: 10
+PK$PEAK: m/z int. rel.int.
+  58.0652 44708.1 125
+  84.0808 356478.3 999
+  86.0601 25762.3 72
+  114.0549 102417.2 287
+  231.1481 44434.9 124
+  233.1279 43875.1 122
+  247.1442 55233.1 154
+  360.2278 61943.2 173
+  405.2108 140442.5 393
+  548.3228 27636.9 77
+//
diff --git a/Eawag/MSBNK-EAWAG-EC081105.txt b/Eawag/MSBNK-EAWAG-EC081105.txt
new file mode 100644
index 0000000000..d5d3bc2574
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC081105.txt
@@ -0,0 +1,65 @@
+ACCESSION: MSBNK-EAWAG-EC081105
+RECORD_TITLE: Schizopeptin 791; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1093/femsec/fiaa243
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 811
+CH$NAME: Schizopeptin 791
+CH$NAME: (((3S,6S,9S,12S,15R)-3-benzyl-12-((S)-sec-butyl)-6,7-dimethyl-2,5,8,11,14-pentaoxo-9-phenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)carbamoyl)-L-isoleucine
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C42H61N7O8
+CH$EXACT_MASS: 791.4581619
+CH$SMILES: C[C@H]([C@H]1C(N[C@@H](CCC2=CC=CC=C2)C(N(C)[C@@H](C)C(N[C@@H](CC3=CC=CC=C3)C(NCCCC[C@@H](NC(N[C@H](C(O)=O)[C@H](CC)C)=O)C(N1)=O)=O)=O)=O)=O)CC
+CH$IUPAC: InChI=1S/C42H61N7O8/c1-7-26(3)34-39(53)44-32(23-22-29-17-11-9-12-18-29)40(54)49(6)28(5)36(50)45-33(25-30-19-13-10-14-20-30)37(51)43-24-16-15-21-31(38(52)47-34)46-42(57)48-35(41(55)56)27(4)8-2/h9-14,17-20,26-28,31-35H,7-8,15-16,21-25H2,1-6H3,(H,43,51)(H,44,53)(H,45,50)(H,47,52)(H,55,56)(H2,46,48,57)/t26-,27-,28-,31+,32-,33-,34-,35-/m0/s1
+CH$LINK: PUBCHEM CID:10985632
+CH$LINK: INCHIKEY UHGIIADZWWCEKS-NDSQDYTJSA-N
+CH$LINK: CHEMSPIDER 8570954
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-829
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.417 min
+MS$FOCUSED_ION: BASE_PEAK 132.958
+MS$FOCUSED_ION: PRECURSOR_M/Z 792.4654
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-001i-9211100000-f572135bafdc8a45f9d5
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  58.0651 C3H8N+ 1 58.0651 0.2
+  84.0807 C5H10N+ 1 84.0808 -0.58
+  86.06 C4H8NO+ 1 86.06 -0.88
+  114.0548 C5H8NO2+ 1 114.055 -1.61
+  120.0809 C8H10N+ 1 120.0808 1.4
+  129.1022 C6H13N2O+ 1 129.1022 -0.55
+  134.0963 C9H12N+ 1 134.0964 -0.88
+  205.1332 C10H15N5+ 2 205.1322 4.99
+  231.1488 C14H19N2O+ 3 231.1492 -1.74
+  320.1608 C16H22N3O4+ 3 320.1605 1
+  405.2102 C18H27N7O4+ 4 405.2119 -4.08
+PK$NUM_PEAK: 11
+PK$PEAK: m/z int. rel.int.
+  58.0651 149435.6 296
+  84.0807 503022.1 999
+  86.06 95868.7 190
+  114.0548 126766.2 251
+  120.0809 23989 47
+  129.1022 48901.6 97
+  134.0963 23400.5 46
+  205.1332 49551.5 98
+  231.1488 46351.4 92
+  320.1608 94559.7 187
+  405.2102 95102.7 188
+//
diff --git a/Eawag/MSBNK-EAWAG-EC081106.txt b/Eawag/MSBNK-EAWAG-EC081106.txt
new file mode 100644
index 0000000000..03d51b80bc
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC081106.txt
@@ -0,0 +1,71 @@
+ACCESSION: MSBNK-EAWAG-EC081106
+RECORD_TITLE: Schizopeptin 791; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1093/femsec/fiaa243
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 811
+CH$NAME: Schizopeptin 791
+CH$NAME: (((3S,6S,9S,12S,15R)-3-benzyl-12-((S)-sec-butyl)-6,7-dimethyl-2,5,8,11,14-pentaoxo-9-phenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)carbamoyl)-L-isoleucine
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C42H61N7O8
+CH$EXACT_MASS: 791.4581619
+CH$SMILES: C[C@H]([C@H]1C(N[C@@H](CCC2=CC=CC=C2)C(N(C)[C@@H](C)C(N[C@@H](CC3=CC=CC=C3)C(NCCCC[C@@H](NC(N[C@H](C(O)=O)[C@H](CC)C)=O)C(N1)=O)=O)=O)=O)=O)CC
+CH$IUPAC: InChI=1S/C42H61N7O8/c1-7-26(3)34-39(53)44-32(23-22-29-17-11-9-12-18-29)40(54)49(6)28(5)36(50)45-33(25-30-19-13-10-14-20-30)37(51)43-24-16-15-21-31(38(52)47-34)46-42(57)48-35(41(55)56)27(4)8-2/h9-14,17-20,26-28,31-35H,7-8,15-16,21-25H2,1-6H3,(H,43,51)(H,44,53)(H,45,50)(H,47,52)(H,55,56)(H2,46,48,57)/t26-,27-,28-,31+,32-,33-,34-,35-/m0/s1
+CH$LINK: PUBCHEM CID:10985632
+CH$LINK: INCHIKEY UHGIIADZWWCEKS-NDSQDYTJSA-N
+CH$LINK: CHEMSPIDER 8570954
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-829
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.417 min
+MS$FOCUSED_ION: BASE_PEAK 132.958
+MS$FOCUSED_ION: PRECURSOR_M/Z 792.4654
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-053r-9310000000-85b9b9fe85558d647404
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  58.0651 C3H8N+ 1 58.0651 -0.65
+  84.0807 C5H10N+ 1 84.0808 -0.49
+  86.0599 C4H8NO+ 1 86.06 -1.5
+  86.0964 C5H12N+ 1 86.0964 0.26
+  114.0548 C5H8NO2+ 1 114.055 -1.48
+  120.0805 C8H10N+ 1 120.0808 -2.16
+  129.1021 C6H13N2O+ 1 129.1022 -0.79
+  134.0959 C9H12N+ 1 134.0964 -4.07
+  173.0919 C7H13N2O3+ 1 173.0921 -1.2
+  188.1431 C13H18N+ 1 188.1434 -1.32
+  205.133 C10H15N5+ 2 205.1322 3.8
+  231.1487 C14H19N2O+ 3 231.1492 -2
+  240.1703 C12H22N3O2+ 2 240.1707 -1.55
+  320.1604 C16H22N3O4+ 4 320.1605 -0.33
+PK$NUM_PEAK: 14
+PK$PEAK: m/z int. rel.int.
+  58.0651 280424 515
+  84.0807 543856.4 999
+  86.0599 141805.7 260
+  86.0964 57134.1 104
+  114.0548 78217.7 143
+  120.0805 114488.9 210
+  129.1021 65842.4 120
+  134.0959 50410.8 92
+  173.0919 29182.2 53
+  188.1431 22168.7 40
+  205.133 42088.2 77
+  231.1487 21220.3 38
+  240.1703 61642.1 113
+  320.1604 86033.3 158
+//
diff --git a/Eawag/MSBNK-EAWAG-EC081107.txt b/Eawag/MSBNK-EAWAG-EC081107.txt
new file mode 100644
index 0000000000..7e197e176d
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC081107.txt
@@ -0,0 +1,67 @@
+ACCESSION: MSBNK-EAWAG-EC081107
+RECORD_TITLE: Schizopeptin 791; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1093/femsec/fiaa243
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 811
+CH$NAME: Schizopeptin 791
+CH$NAME: (((3S,6S,9S,12S,15R)-3-benzyl-12-((S)-sec-butyl)-6,7-dimethyl-2,5,8,11,14-pentaoxo-9-phenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)carbamoyl)-L-isoleucine
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C42H61N7O8
+CH$EXACT_MASS: 791.4581619
+CH$SMILES: C[C@H]([C@H]1C(N[C@@H](CCC2=CC=CC=C2)C(N(C)[C@@H](C)C(N[C@@H](CC3=CC=CC=C3)C(NCCCC[C@@H](NC(N[C@H](C(O)=O)[C@H](CC)C)=O)C(N1)=O)=O)=O)=O)=O)CC
+CH$IUPAC: InChI=1S/C42H61N7O8/c1-7-26(3)34-39(53)44-32(23-22-29-17-11-9-12-18-29)40(54)49(6)28(5)36(50)45-33(25-30-19-13-10-14-20-30)37(51)43-24-16-15-21-31(38(52)47-34)46-42(57)48-35(41(55)56)27(4)8-2/h9-14,17-20,26-28,31-35H,7-8,15-16,21-25H2,1-6H3,(H,43,51)(H,44,53)(H,45,50)(H,47,52)(H,55,56)(H2,46,48,57)/t26-,27-,28-,31+,32-,33-,34-,35-/m0/s1
+CH$LINK: PUBCHEM CID:10985632
+CH$LINK: INCHIKEY UHGIIADZWWCEKS-NDSQDYTJSA-N
+CH$LINK: CHEMSPIDER 8570954
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-829
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.417 min
+MS$FOCUSED_ION: BASE_PEAK 132.958
+MS$FOCUSED_ION: PRECURSOR_M/Z 792.4654
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-053r-9200000000-367153afa1b4b3b97fcf
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  58.0651 C3H8N+ 1 58.0651 -0.12
+  69.0697 C5H9+ 1 69.0699 -2.96
+  84.0808 C5H10N+ 1 84.0808 -0.21
+  86.0601 C4H8NO+ 1 86.06 0.27
+  86.0964 C5H12N+ 1 86.0964 -0.18
+  91.0544 C7H7+ 1 91.0542 1.41
+  114.0551 C5H8NO2+ 1 114.055 1.27
+  117.0702 C9H9+ 1 117.0699 2.39
+  120.0807 C8H10N+ 1 120.0808 -0.44
+  129.1017 C6H13N2O+ 1 129.1022 -4.22
+  134.0963 C9H12N+ 1 134.0964 -0.99
+  320.1595 C16H22N3O4+ 2 320.1605 -3
+PK$NUM_PEAK: 12
+PK$PEAK: m/z int. rel.int.
+  58.0651 322598.2 618
+  69.0697 10861 20
+  84.0808 521133.6 999
+  86.0601 139495.7 267
+  86.0964 78211.5 149
+  91.0544 18303.9 35
+  114.0551 33131.7 63
+  117.0702 20709.2 39
+  120.0807 199010.3 381
+  129.1017 48723.4 93
+  134.0963 28255.5 54
+  320.1595 20322.5 38
+//
diff --git a/Eawag/MSBNK-EAWAG-EC081108.txt b/Eawag/MSBNK-EAWAG-EC081108.txt
new file mode 100644
index 0000000000..567b46b3fb
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC081108.txt
@@ -0,0 +1,65 @@
+ACCESSION: MSBNK-EAWAG-EC081108
+RECORD_TITLE: Schizopeptin 791; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1093/femsec/fiaa243
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 811
+CH$NAME: Schizopeptin 791
+CH$NAME: (((3S,6S,9S,12S,15R)-3-benzyl-12-((S)-sec-butyl)-6,7-dimethyl-2,5,8,11,14-pentaoxo-9-phenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)carbamoyl)-L-isoleucine
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C42H61N7O8
+CH$EXACT_MASS: 791.4581619
+CH$SMILES: C[C@H]([C@H]1C(N[C@@H](CCC2=CC=CC=C2)C(N(C)[C@@H](C)C(N[C@@H](CC3=CC=CC=C3)C(NCCCC[C@@H](NC(N[C@H](C(O)=O)[C@H](CC)C)=O)C(N1)=O)=O)=O)=O)=O)CC
+CH$IUPAC: InChI=1S/C42H61N7O8/c1-7-26(3)34-39(53)44-32(23-22-29-17-11-9-12-18-29)40(54)49(6)28(5)36(50)45-33(25-30-19-13-10-14-20-30)37(51)43-24-16-15-21-31(38(52)47-34)46-42(57)48-35(41(55)56)27(4)8-2/h9-14,17-20,26-28,31-35H,7-8,15-16,21-25H2,1-6H3,(H,43,51)(H,44,53)(H,45,50)(H,47,52)(H,55,56)(H2,46,48,57)/t26-,27-,28-,31+,32-,33-,34-,35-/m0/s1
+CH$LINK: PUBCHEM CID:10985632
+CH$LINK: INCHIKEY UHGIIADZWWCEKS-NDSQDYTJSA-N
+CH$LINK: CHEMSPIDER 8570954
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-829
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.417 min
+MS$FOCUSED_ION: BASE_PEAK 132.958
+MS$FOCUSED_ION: PRECURSOR_M/Z 792.4654
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-053r-9300000000-5963de891c1349ac743c
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  58.0651 C3H8N+ 1 58.0651 -0.12
+  84.0808 C5H10N+ 1 84.0808 -0.12
+  86.0601 C4H8NO+ 1 86.06 0.27
+  86.0964 C5H12N+ 1 86.0964 0.26
+  91.0541 C7H7+ 1 91.0542 -1.28
+  105.07 C8H9+ 1 105.0699 1.57
+  117.07 C9H9+ 1 117.0699 1.28
+  120.0807 C8H10N+ 1 120.0808 -0.95
+  129.1021 C6H13N2O+ 1 129.1022 -0.91
+  134.0966 C9H12N+ 1 134.0964 1.28
+  155.0815 C7H11N2O2+ 1 155.0815 -0.11
+PK$NUM_PEAK: 11
+PK$PEAK: m/z int. rel.int.
+  58.0651 334696 620
+  84.0808 538803.8 999
+  86.0601 128063.8 237
+  86.0964 80492.6 149
+  91.0541 41738 77
+  105.07 13697.4 25
+  117.07 31260.6 57
+  120.0807 251890.6 467
+  129.1021 29483 54
+  134.0966 27485.1 50
+  155.0815 22501.5 41
+//
diff --git a/Eawag/MSBNK-EAWAG-EC081109.txt b/Eawag/MSBNK-EAWAG-EC081109.txt
new file mode 100644
index 0000000000..0d690b8e38
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC081109.txt
@@ -0,0 +1,63 @@
+ACCESSION: MSBNK-EAWAG-EC081109
+RECORD_TITLE: Schizopeptin 791; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1093/femsec/fiaa243
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 811
+CH$NAME: Schizopeptin 791
+CH$NAME: (((3S,6S,9S,12S,15R)-3-benzyl-12-((S)-sec-butyl)-6,7-dimethyl-2,5,8,11,14-pentaoxo-9-phenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)carbamoyl)-L-isoleucine
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C42H61N7O8
+CH$EXACT_MASS: 791.4581619
+CH$SMILES: C[C@H]([C@H]1C(N[C@@H](CCC2=CC=CC=C2)C(N(C)[C@@H](C)C(N[C@@H](CC3=CC=CC=C3)C(NCCCC[C@@H](NC(N[C@H](C(O)=O)[C@H](CC)C)=O)C(N1)=O)=O)=O)=O)=O)CC
+CH$IUPAC: InChI=1S/C42H61N7O8/c1-7-26(3)34-39(53)44-32(23-22-29-17-11-9-12-18-29)40(54)49(6)28(5)36(50)45-33(25-30-19-13-10-14-20-30)37(51)43-24-16-15-21-31(38(52)47-34)46-42(57)48-35(41(55)56)27(4)8-2/h9-14,17-20,26-28,31-35H,7-8,15-16,21-25H2,1-6H3,(H,43,51)(H,44,53)(H,45,50)(H,47,52)(H,55,56)(H2,46,48,57)/t26-,27-,28-,31+,32-,33-,34-,35-/m0/s1
+CH$LINK: PUBCHEM CID:10985632
+CH$LINK: INCHIKEY UHGIIADZWWCEKS-NDSQDYTJSA-N
+CH$LINK: CHEMSPIDER 8570954
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-829
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.417 min
+MS$FOCUSED_ION: BASE_PEAK 132.958
+MS$FOCUSED_ION: PRECURSOR_M/Z 792.4654
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-053r-9200000000-e748aac3dec5485b6334
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  56.0496 C3H6N+ 1 56.0495 2.1
+  58.0651 C3H8N+ 1 58.0651 -0.32
+  69.07 C5H9+ 1 69.0699 1.79
+  84.0807 C5H10N+ 1 84.0808 -0.39
+  86.0599 C4H8NO+ 1 86.06 -1.33
+  86.0965 C5H12N+ 1 86.0964 0.35
+  91.054 C7H7+ 1 91.0542 -2.11
+  105.0697 C8H9+ 1 105.0699 -1.63
+  120.0806 C8H10N+ 1 120.0808 -1.14
+  129.1024 C6H13N2O+ 1 129.1022 0.99
+PK$NUM_PEAK: 10
+PK$PEAK: m/z int. rel.int.
+  56.0496 25622 45
+  58.0651 351018.3 628
+  69.07 26299.2 47
+  84.0807 557609.3 999
+  86.0599 110296.5 197
+  86.0965 59193.5 106
+  91.054 72307.3 129
+  105.0697 17425.6 31
+  120.0806 260543.1 466
+  129.1024 19696.9 35
+//
diff --git a/Eawag/MSBNK-EAWAG-EC081151.txt b/Eawag/MSBNK-EAWAG-EC081151.txt
new file mode 100644
index 0000000000..1740369419
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC081151.txt
@@ -0,0 +1,49 @@
+ACCESSION: MSBNK-EAWAG-EC081151
+RECORD_TITLE: Schizopeptin 791; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1093/femsec/fiaa243
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 811
+CH$NAME: Schizopeptin 791
+CH$NAME: (((3S,6S,9S,12S,15R)-3-benzyl-12-((S)-sec-butyl)-6,7-dimethyl-2,5,8,11,14-pentaoxo-9-phenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)carbamoyl)-L-isoleucine
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C42H61N7O8
+CH$EXACT_MASS: 791.4581619
+CH$SMILES: C[C@H]([C@H]1C(N[C@@H](CCC2=CC=CC=C2)C(N(C)[C@@H](C)C(N[C@@H](CC3=CC=CC=C3)C(NCCCC[C@@H](NC(N[C@H](C(O)=O)[C@H](CC)C)=O)C(N1)=O)=O)=O)=O)=O)CC
+CH$IUPAC: InChI=1S/C42H61N7O8/c1-7-26(3)34-39(53)44-32(23-22-29-17-11-9-12-18-29)40(54)49(6)28(5)36(50)45-33(25-30-19-13-10-14-20-30)37(51)43-24-16-15-21-31(38(52)47-34)46-42(57)48-35(41(55)56)27(4)8-2/h9-14,17-20,26-28,31-35H,7-8,15-16,21-25H2,1-6H3,(H,43,51)(H,44,53)(H,45,50)(H,47,52)(H,55,56)(H2,46,48,57)/t26-,27-,28-,31+,32-,33-,34-,35-/m0/s1
+CH$LINK: PUBCHEM CID:10985632
+CH$LINK: INCHIKEY UHGIIADZWWCEKS-NDSQDYTJSA-N
+CH$LINK: CHEMSPIDER 8570954
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-827
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.404 min
+MS$FOCUSED_ION: BASE_PEAK 307.1909
+MS$FOCUSED_ION: PRECURSOR_M/Z 790.4509
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0a4i-0000009200-d17c11179a7865650b75
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  659.3562 C36H47N6O6- 4 659.3563 -0.16
+  660.3594 C42H48N2O5- 1 660.3569 3.9
+  772.4399 C42H58N7O7- 1 772.4403 -0.6
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  659.3562 985819.4 999
+  660.3594 30134.4 30
+  772.4399 230092 233
+//
diff --git a/Eawag/MSBNK-EAWAG-EC081152.txt b/Eawag/MSBNK-EAWAG-EC081152.txt
new file mode 100644
index 0000000000..445166b2d3
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC081152.txt
@@ -0,0 +1,47 @@
+ACCESSION: MSBNK-EAWAG-EC081152
+RECORD_TITLE: Schizopeptin 791; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1093/femsec/fiaa243
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 811
+CH$NAME: Schizopeptin 791
+CH$NAME: (((3S,6S,9S,12S,15R)-3-benzyl-12-((S)-sec-butyl)-6,7-dimethyl-2,5,8,11,14-pentaoxo-9-phenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)carbamoyl)-L-isoleucine
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C42H61N7O8
+CH$EXACT_MASS: 791.4581619
+CH$SMILES: C[C@H]([C@H]1C(N[C@@H](CCC2=CC=CC=C2)C(N(C)[C@@H](C)C(N[C@@H](CC3=CC=CC=C3)C(NCCCC[C@@H](NC(N[C@H](C(O)=O)[C@H](CC)C)=O)C(N1)=O)=O)=O)=O)=O)CC
+CH$IUPAC: InChI=1S/C42H61N7O8/c1-7-26(3)34-39(53)44-32(23-22-29-17-11-9-12-18-29)40(54)49(6)28(5)36(50)45-33(25-30-19-13-10-14-20-30)37(51)43-24-16-15-21-31(38(52)47-34)46-42(57)48-35(41(55)56)27(4)8-2/h9-14,17-20,26-28,31-35H,7-8,15-16,21-25H2,1-6H3,(H,43,51)(H,44,53)(H,45,50)(H,47,52)(H,55,56)(H2,46,48,57)/t26-,27-,28-,31+,32-,33-,34-,35-/m0/s1
+CH$LINK: PUBCHEM CID:10985632
+CH$LINK: INCHIKEY UHGIIADZWWCEKS-NDSQDYTJSA-N
+CH$LINK: CHEMSPIDER 8570954
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-827
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.404 min
+MS$FOCUSED_ION: BASE_PEAK 307.1909
+MS$FOCUSED_ION: PRECURSOR_M/Z 790.4509
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0a4i-0000009100-e40946c1fe31918cc388
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  659.3559 C36H47N6O6- 4 659.3563 -0.53
+  772.4394 C42H58N7O7- 1 772.4403 -1.23
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  659.3559 1054319.9 999
+  772.4394 207170.9 196
+//
diff --git a/Eawag/MSBNK-EAWAG-EC081153.txt b/Eawag/MSBNK-EAWAG-EC081153.txt
new file mode 100644
index 0000000000..21a25e6f9d
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC081153.txt
@@ -0,0 +1,47 @@
+ACCESSION: MSBNK-EAWAG-EC081153
+RECORD_TITLE: Schizopeptin 791; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1093/femsec/fiaa243
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 811
+CH$NAME: Schizopeptin 791
+CH$NAME: (((3S,6S,9S,12S,15R)-3-benzyl-12-((S)-sec-butyl)-6,7-dimethyl-2,5,8,11,14-pentaoxo-9-phenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)carbamoyl)-L-isoleucine
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C42H61N7O8
+CH$EXACT_MASS: 791.4581619
+CH$SMILES: C[C@H]([C@H]1C(N[C@@H](CCC2=CC=CC=C2)C(N(C)[C@@H](C)C(N[C@@H](CC3=CC=CC=C3)C(NCCCC[C@@H](NC(N[C@H](C(O)=O)[C@H](CC)C)=O)C(N1)=O)=O)=O)=O)=O)CC
+CH$IUPAC: InChI=1S/C42H61N7O8/c1-7-26(3)34-39(53)44-32(23-22-29-17-11-9-12-18-29)40(54)49(6)28(5)36(50)45-33(25-30-19-13-10-14-20-30)37(51)43-24-16-15-21-31(38(52)47-34)46-42(57)48-35(41(55)56)27(4)8-2/h9-14,17-20,26-28,31-35H,7-8,15-16,21-25H2,1-6H3,(H,43,51)(H,44,53)(H,45,50)(H,47,52)(H,55,56)(H2,46,48,57)/t26-,27-,28-,31+,32-,33-,34-,35-/m0/s1
+CH$LINK: PUBCHEM CID:10985632
+CH$LINK: INCHIKEY UHGIIADZWWCEKS-NDSQDYTJSA-N
+CH$LINK: CHEMSPIDER 8570954
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-827
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.404 min
+MS$FOCUSED_ION: BASE_PEAK 307.1909
+MS$FOCUSED_ION: PRECURSOR_M/Z 790.4509
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0a4i-0000009100-f5e7b4fb354a11f04057
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  659.3559 C36H47N6O6- 4 659.3563 -0.53
+  772.4383 C42H58N7O7- 1 772.4403 -2.58
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  659.3559 997374.8 999
+  772.4383 145718.6 145
+//
diff --git a/Eawag/MSBNK-EAWAG-EC081154.txt b/Eawag/MSBNK-EAWAG-EC081154.txt
new file mode 100644
index 0000000000..73f5949fb4
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC081154.txt
@@ -0,0 +1,49 @@
+ACCESSION: MSBNK-EAWAG-EC081154
+RECORD_TITLE: Schizopeptin 791; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1093/femsec/fiaa243
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 811
+CH$NAME: Schizopeptin 791
+CH$NAME: (((3S,6S,9S,12S,15R)-3-benzyl-12-((S)-sec-butyl)-6,7-dimethyl-2,5,8,11,14-pentaoxo-9-phenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)carbamoyl)-L-isoleucine
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C42H61N7O8
+CH$EXACT_MASS: 791.4581619
+CH$SMILES: C[C@H]([C@H]1C(N[C@@H](CCC2=CC=CC=C2)C(N(C)[C@@H](C)C(N[C@@H](CC3=CC=CC=C3)C(NCCCC[C@@H](NC(N[C@H](C(O)=O)[C@H](CC)C)=O)C(N1)=O)=O)=O)=O)=O)CC
+CH$IUPAC: InChI=1S/C42H61N7O8/c1-7-26(3)34-39(53)44-32(23-22-29-17-11-9-12-18-29)40(54)49(6)28(5)36(50)45-33(25-30-19-13-10-14-20-30)37(51)43-24-16-15-21-31(38(52)47-34)46-42(57)48-35(41(55)56)27(4)8-2/h9-14,17-20,26-28,31-35H,7-8,15-16,21-25H2,1-6H3,(H,43,51)(H,44,53)(H,45,50)(H,47,52)(H,55,56)(H2,46,48,57)/t26-,27-,28-,31+,32-,33-,34-,35-/m0/s1
+CH$LINK: PUBCHEM CID:10985632
+CH$LINK: INCHIKEY UHGIIADZWWCEKS-NDSQDYTJSA-N
+CH$LINK: CHEMSPIDER 8570954
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-827
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.404 min
+MS$FOCUSED_ION: BASE_PEAK 307.1909
+MS$FOCUSED_ION: PRECURSOR_M/Z 790.4509
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0a4i-0000209000-25436688dd412efe3432
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  130.0874 C6H12NO2- 1 130.0874 0.57
+  402.2144 C20H28N5O4- 3 402.2147 -0.63
+  659.3557 C36H47N6O6- 4 659.3563 -0.81
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  130.0874 28598.1 55
+  402.2144 170844.5 330
+  659.3557 516296.9 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC084701.txt b/Eawag/MSBNK-EAWAG-EC084701.txt
new file mode 100644
index 0000000000..4c6c4a2b9a
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC084701.txt
@@ -0,0 +1,55 @@
+ACCESSION: MSBNK-EAWAG-EC084701
+RECORD_TITLE: Microginin 770; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1111/j.1574-6941.2012.01439.x
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 847
+CH$NAME: Microginin 770
+CH$NAME: (2-(2-(2-(2-hydroxy-3-(methylamino)decanamido)-3-methylbutanamido)-4-methylpentanamido)-4-(4-hydroxyphenyl)butanoyl)tyrosine
+CH$NAME: 2-[[2-[[2-[[2-[[2-hydroxy-3-(methylamino)decanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-4-(4-hydroxyphenyl)butanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C41H63N5O9
+CH$EXACT_MASS: 769.4625786
+CH$SMILES: O=C(NC(CC1=CC=C(O)C=C1)C(O)=O)C(CCC2=CC=C(O)C=C2)NC(C(CC(C)C)NC(C(C(C)C)NC(C(O)C(NC)CCCCCCC)=O)=O)=O
+CH$IUPAC: InChI=1S/C41H63N5O9/c1-7-8-9-10-11-12-31(42-6)36(49)40(53)46-35(26(4)5)39(52)44-33(23-25(2)3)38(51)43-32(22-17-27-13-18-29(47)19-14-27)37(50)45-34(41(54)55)24-28-15-20-30(48)21-16-28/h13-16,18-21,25-26,31-36,42,47-49H,7-12,17,22-24H2,1-6H3,(H,43,51)(H,44,52)(H,45,50)(H,46,53)(H,54,55)
+CH$LINK: PUBCHEM CID:146683730
+CH$LINK: INCHIKEY YSNCVQPXJAIHHN-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-807
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.183 min
+MS$FOCUSED_ION: BASE_PEAK 770.4698
+MS$FOCUSED_ION: PRECURSOR_M/Z 770.4699
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03di-0000910400-0596dcad00c43465ec2f
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  271.1647 C13H23N2O4+ 2 271.1652 -2.03
+  281.2226 C16H29N2O2+ 1 281.2224 0.86
+  412.3169 C22H42N3O4+ 2 412.317 -0.11
+  472.2448 C25H34N3O6+ 3 472.2442 1.18
+  589.3963 C32H53N4O6+ 3 589.396 0.64
+  770.4702 C41H64N5O9+ 1 770.4699 0.43
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  271.1647 3497951.5 28
+  281.2226 4319939 35
+  412.3169 122607296 999
+  472.2448 3784186.5 30
+  589.3963 27882688 227
+  770.4702 61247744 499
+//
diff --git a/Eawag/MSBNK-EAWAG-EC084702.txt b/Eawag/MSBNK-EAWAG-EC084702.txt
new file mode 100644
index 0000000000..8d9f8dd77c
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC084702.txt
@@ -0,0 +1,67 @@
+ACCESSION: MSBNK-EAWAG-EC084702
+RECORD_TITLE: Microginin 770; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1111/j.1574-6941.2012.01439.x
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 847
+CH$NAME: Microginin 770
+CH$NAME: (2-(2-(2-(2-hydroxy-3-(methylamino)decanamido)-3-methylbutanamido)-4-methylpentanamido)-4-(4-hydroxyphenyl)butanoyl)tyrosine
+CH$NAME: 2-[[2-[[2-[[2-[[2-hydroxy-3-(methylamino)decanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-4-(4-hydroxyphenyl)butanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C41H63N5O9
+CH$EXACT_MASS: 769.4625786
+CH$SMILES: O=C(NC(CC1=CC=C(O)C=C1)C(O)=O)C(CCC2=CC=C(O)C=C2)NC(C(CC(C)C)NC(C(C(C)C)NC(C(O)C(NC)CCCCCCC)=O)=O)=O
+CH$IUPAC: InChI=1S/C41H63N5O9/c1-7-8-9-10-11-12-31(42-6)36(49)40(53)46-35(26(4)5)39(52)44-33(23-25(2)3)38(51)43-32(22-17-27-13-18-29(47)19-14-27)37(50)45-34(41(54)55)24-28-15-20-30(48)21-16-28/h13-16,18-21,25-26,31-36,42,47-49H,7-12,17,22-24H2,1-6H3,(H,43,51)(H,44,52)(H,45,50)(H,46,53)(H,54,55)
+CH$LINK: PUBCHEM CID:146683730
+CH$LINK: INCHIKEY YSNCVQPXJAIHHN-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-807
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.183 min
+MS$FOCUSED_ION: BASE_PEAK 770.4698
+MS$FOCUSED_ION: PRECURSOR_M/Z 770.4699
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03di-0030910000-63176ae3340e5fff2f8b
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  86.0966 C5H12N+ 1 86.0964 1.85
+  132.1017 C6H14NO2+ 1 132.1019 -1.8
+  142.1589 C9H20N+ 1 142.159 -0.82
+  182.1537 C11H20NO+ 1 182.1539 -1.47
+  271.1649 C13H23N2O4+ 2 271.1652 -1.24
+  281.2221 C16H29N2O2+ 2 281.2224 -0.77
+  299.2319 C16H31N2O3+ 2 299.2329 -3.26
+  394.3062 C22H40N3O3+ 2 394.3064 -0.66
+  412.317 C22H42N3O4+ 2 412.317 0.11
+  472.2456 C25H34N3O6+ 3 472.2442 2.86
+  589.3963 C32H53N4O6+ 3 589.396 0.64
+  770.4715 C41H64N5O9+ 1 770.4699 2.18
+PK$NUM_PEAK: 12
+PK$PEAK: m/z int. rel.int.
+  86.0966 3170603.5 17
+  132.1017 2314479 13
+  142.1589 6282931 35
+  182.1537 5739585 32
+  271.1649 25387438 143
+  281.2221 35340980 199
+  299.2319 2577895.5 14
+  394.3062 9385169 53
+  412.317 176652384 999
+  472.2456 6150625.5 34
+  589.3963 30908866 174
+  770.4715 6636930 37
+//
diff --git a/Eawag/MSBNK-EAWAG-EC084703.txt b/Eawag/MSBNK-EAWAG-EC084703.txt
new file mode 100644
index 0000000000..eef7c2df76
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC084703.txt
@@ -0,0 +1,79 @@
+ACCESSION: MSBNK-EAWAG-EC084703
+RECORD_TITLE: Microginin 770; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1111/j.1574-6941.2012.01439.x
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 847
+CH$NAME: Microginin 770
+CH$NAME: (2-(2-(2-(2-hydroxy-3-(methylamino)decanamido)-3-methylbutanamido)-4-methylpentanamido)-4-(4-hydroxyphenyl)butanoyl)tyrosine
+CH$NAME: 2-[[2-[[2-[[2-[[2-hydroxy-3-(methylamino)decanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-4-(4-hydroxyphenyl)butanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C41H63N5O9
+CH$EXACT_MASS: 769.4625786
+CH$SMILES: O=C(NC(CC1=CC=C(O)C=C1)C(O)=O)C(CCC2=CC=C(O)C=C2)NC(C(CC(C)C)NC(C(C(C)C)NC(C(O)C(NC)CCCCCCC)=O)=O)=O
+CH$IUPAC: InChI=1S/C41H63N5O9/c1-7-8-9-10-11-12-31(42-6)36(49)40(53)46-35(26(4)5)39(52)44-33(23-25(2)3)38(51)43-32(22-17-27-13-18-29(47)19-14-27)37(50)45-34(41(54)55)24-28-15-20-30(48)21-16-28/h13-16,18-21,25-26,31-36,42,47-49H,7-12,17,22-24H2,1-6H3,(H,43,51)(H,44,52)(H,45,50)(H,46,53)(H,54,55)
+CH$LINK: PUBCHEM CID:146683730
+CH$LINK: INCHIKEY YSNCVQPXJAIHHN-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-807
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.183 min
+MS$FOCUSED_ION: BASE_PEAK 770.4698
+MS$FOCUSED_ION: PRECURSOR_M/Z 770.4699
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-01q9-1491600000-4f3567924ae159b0c1af
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  86.0965 C5H12N+ 1 86.0964 0.53
+  132.102 C6H14NO2+ 1 132.1019 0.86
+  142.1589 C9H20N+ 1 142.159 -1.03
+  154.159 C10H20N+ 1 154.159 -0.21
+  172.1692 C10H22NO+ 1 172.1696 -2.26
+  182.1535 C11H20NO+ 2 182.1539 -2.47
+  196.1324 C11H18NO2+ 2 196.1332 -4.31
+  206.081 C11H12NO3+ 1 206.0812 -0.74
+  260.1276 C15H18NO3+ 2 260.1281 -2.09
+  271.1651 C13H23N2O4+ 2 271.1652 -0.67
+  281.2222 C16H29N2O2+ 2 281.2224 -0.55
+  299.233 C16H31N2O3+ 2 299.2329 0.11
+  359.1602 C19H23N2O5+ 2 359.1601 0.03
+  394.3065 C22H40N3O3+ 2 394.3064 0.19
+  412.3171 C22H42N3O4+ 2 412.317 0.4
+  440.312 C23H42N3O5+ 2 440.3119 0.29
+  472.2426 C25H34N3O6+ 2 472.2442 -3.35
+  589.396 C32H53N4O6+ 4 589.396 0.02
+PK$NUM_PEAK: 18
+PK$PEAK: m/z int. rel.int.
+  86.0965 13605250 181
+  132.102 5581261.5 74
+  142.1589 24935480 332
+  154.159 3950689 52
+  172.1692 5512745.5 73
+  182.1535 18561056 247
+  196.1324 1433569.6 19
+  206.081 4499057.5 60
+  260.1276 1336394.2 17
+  271.1651 38365932 511
+  281.2222 63771100 851
+  299.233 3898345.5 52
+  359.1602 3236740.8 43
+  394.3065 10052606 134
+  412.3171 74861256 999
+  440.312 4370003 58
+  472.2426 2064820.8 27
+  589.396 10884522 145
+//
diff --git a/Eawag/MSBNK-EAWAG-EC084704.txt b/Eawag/MSBNK-EAWAG-EC084704.txt
new file mode 100644
index 0000000000..987d90c724
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC084704.txt
@@ -0,0 +1,79 @@
+ACCESSION: MSBNK-EAWAG-EC084704
+RECORD_TITLE: Microginin 770; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1111/j.1574-6941.2012.01439.x
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 847
+CH$NAME: Microginin 770
+CH$NAME: (2-(2-(2-(2-hydroxy-3-(methylamino)decanamido)-3-methylbutanamido)-4-methylpentanamido)-4-(4-hydroxyphenyl)butanoyl)tyrosine
+CH$NAME: 2-[[2-[[2-[[2-[[2-hydroxy-3-(methylamino)decanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-4-(4-hydroxyphenyl)butanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C41H63N5O9
+CH$EXACT_MASS: 769.4625786
+CH$SMILES: O=C(NC(CC1=CC=C(O)C=C1)C(O)=O)C(CCC2=CC=C(O)C=C2)NC(C(CC(C)C)NC(C(C(C)C)NC(C(O)C(NC)CCCCCCC)=O)=O)=O
+CH$IUPAC: InChI=1S/C41H63N5O9/c1-7-8-9-10-11-12-31(42-6)36(49)40(53)46-35(26(4)5)39(52)44-33(23-25(2)3)38(51)43-32(22-17-27-13-18-29(47)19-14-27)37(50)45-34(41(54)55)24-28-15-20-30(48)21-16-28/h13-16,18-21,25-26,31-36,42,47-49H,7-12,17,22-24H2,1-6H3,(H,43,51)(H,44,52)(H,45,50)(H,46,53)(H,54,55)
+CH$LINK: PUBCHEM CID:146683730
+CH$LINK: INCHIKEY YSNCVQPXJAIHHN-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-807
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.183 min
+MS$FOCUSED_ION: BASE_PEAK 770.4698
+MS$FOCUSED_ION: PRECURSOR_M/Z 770.4699
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-001l-2980100000-5223d99d6c36b9b8c14f
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  86.0965 C5H12N+ 1 86.0964 0.53
+  132.1019 C6H14NO2+ 1 132.1019 0.05
+  142.1588 C9H20N+ 1 142.159 -1.35
+  150.0913 C9H12NO+ 1 150.0913 -0.22
+  154.1587 C10H20N+ 1 154.159 -2.29
+  172.1692 C10H22NO+ 1 172.1696 -2.52
+  182.1534 C11H20NO+ 2 182.1539 -2.72
+  196.1328 C11H18NO2+ 1 196.1332 -1.82
+  206.0811 C11H12NO3+ 1 206.0812 -0.3
+  253.2273 C15H29N2O+ 2 253.2274 -0.64
+  260.1278 C15H18NO3+ 2 260.1281 -1.15
+  271.1649 C13H23N2O4+ 2 271.1652 -1.35
+  281.2221 C16H29N2O2+ 2 281.2224 -0.77
+  359.1597 C19H23N2O5+ 2 359.1601 -1.33
+  394.3058 C22H40N3O3+ 2 394.3064 -1.51
+  412.3168 C22H42N3O4+ 2 412.317 -0.34
+  440.3116 C23H42N3O5+ 2 440.3119 -0.68
+  589.3965 C32H53N4O6+ 3 589.396 0.95
+PK$NUM_PEAK: 18
+PK$PEAK: m/z int. rel.int.
+  86.0965 35660336 508
+  132.1019 7684871 109
+  142.1588 59328996 846
+  150.0913 1570002.5 22
+  154.1587 7843009 111
+  172.1692 10603139 151
+  182.1534 39063788 557
+  196.1328 2994539.8 42
+  206.0811 4567423.5 65
+  253.2273 8767725 125
+  260.1278 3228671.8 46
+  271.1649 40057576 571
+  281.2221 70052632 999
+  359.1597 5175135 73
+  394.3058 6029470.5 85
+  412.3168 22613636 322
+  440.3116 2570066.5 36
+  589.3965 2820672.8 40
+//
diff --git a/Eawag/MSBNK-EAWAG-EC084705.txt b/Eawag/MSBNK-EAWAG-EC084705.txt
new file mode 100644
index 0000000000..592897afe2
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC084705.txt
@@ -0,0 +1,75 @@
+ACCESSION: MSBNK-EAWAG-EC084705
+RECORD_TITLE: Microginin 770; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1111/j.1574-6941.2012.01439.x
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 847
+CH$NAME: Microginin 770
+CH$NAME: (2-(2-(2-(2-hydroxy-3-(methylamino)decanamido)-3-methylbutanamido)-4-methylpentanamido)-4-(4-hydroxyphenyl)butanoyl)tyrosine
+CH$NAME: 2-[[2-[[2-[[2-[[2-hydroxy-3-(methylamino)decanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-4-(4-hydroxyphenyl)butanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C41H63N5O9
+CH$EXACT_MASS: 769.4625786
+CH$SMILES: O=C(NC(CC1=CC=C(O)C=C1)C(O)=O)C(CCC2=CC=C(O)C=C2)NC(C(CC(C)C)NC(C(C(C)C)NC(C(O)C(NC)CCCCCCC)=O)=O)=O
+CH$IUPAC: InChI=1S/C41H63N5O9/c1-7-8-9-10-11-12-31(42-6)36(49)40(53)46-35(26(4)5)39(52)44-33(23-25(2)3)38(51)43-32(22-17-27-13-18-29(47)19-14-27)37(50)45-34(41(54)55)24-28-15-20-30(48)21-16-28/h13-16,18-21,25-26,31-36,42,47-49H,7-12,17,22-24H2,1-6H3,(H,43,51)(H,44,52)(H,45,50)(H,46,53)(H,54,55)
+CH$LINK: PUBCHEM CID:146683730
+CH$LINK: INCHIKEY YSNCVQPXJAIHHN-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-807
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.183 min
+MS$FOCUSED_ION: BASE_PEAK 770.4698
+MS$FOCUSED_ION: PRECURSOR_M/Z 770.4699
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0016-2910000000-29e8fe0f25bc9f79d735
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  86.0964 C5H12N+ 1 86.0964 0.08
+  114.0914 C6H12NO+ 1 114.0913 0.92
+  130.0861 C6H12NO2+ 1 130.0863 -1.25
+  132.1017 C6H14NO2+ 1 132.1019 -1.68
+  141.1019 C7H13N2O+ 1 141.1022 -2.13
+  142.1588 C9H20N+ 1 142.159 -1.78
+  150.0911 C9H12NO+ 1 150.0913 -1.64
+  154.1588 C10H20N+ 1 154.159 -1.4
+  172.1691 C10H22NO+ 2 172.1696 -2.97
+  178.0852 C8H10N4O+ 1 178.0849 1.53
+  182.1534 C11H20NO+ 2 182.1539 -3.23
+  196.1326 C11H18NO2+ 2 196.1332 -3.14
+  253.2265 C15H29N2O+ 2 253.2274 -3.65
+  260.1278 C15H18NO3+ 2 260.1281 -1.15
+  271.1647 C13H23N2O4+ 2 271.1652 -2.03
+  281.2221 C16H29N2O2+ 2 281.2224 -0.88
+PK$NUM_PEAK: 16
+PK$PEAK: m/z int. rel.int.
+  86.0964 62950452 599
+  114.0914 1405907.9 13
+  130.0861 5311177.5 50
+  132.1017 7558849 71
+  141.1019 4898886 46
+  142.1588 104964752 999
+  150.0911 6403625.5 60
+  154.1588 13216907 125
+  172.1691 12164342 115
+  178.0852 3892176 37
+  182.1534 58125024 553
+  196.1326 4541294 43
+  253.2265 5712524.5 54
+  260.1278 4550024 43
+  271.1647 10201182 97
+  281.2221 18160594 172
+//
diff --git a/Eawag/MSBNK-EAWAG-EC084706.txt b/Eawag/MSBNK-EAWAG-EC084706.txt
new file mode 100644
index 0000000000..e2405e96b7
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC084706.txt
@@ -0,0 +1,77 @@
+ACCESSION: MSBNK-EAWAG-EC084706
+RECORD_TITLE: Microginin 770; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1111/j.1574-6941.2012.01439.x
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 847
+CH$NAME: Microginin 770
+CH$NAME: (2-(2-(2-(2-hydroxy-3-(methylamino)decanamido)-3-methylbutanamido)-4-methylpentanamido)-4-(4-hydroxyphenyl)butanoyl)tyrosine
+CH$NAME: 2-[[2-[[2-[[2-[[2-hydroxy-3-(methylamino)decanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-4-(4-hydroxyphenyl)butanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C41H63N5O9
+CH$EXACT_MASS: 769.4625786
+CH$SMILES: O=C(NC(CC1=CC=C(O)C=C1)C(O)=O)C(CCC2=CC=C(O)C=C2)NC(C(CC(C)C)NC(C(C(C)C)NC(C(O)C(NC)CCCCCCC)=O)=O)=O
+CH$IUPAC: InChI=1S/C41H63N5O9/c1-7-8-9-10-11-12-31(42-6)36(49)40(53)46-35(26(4)5)39(52)44-33(23-25(2)3)38(51)43-32(22-17-27-13-18-29(47)19-14-27)37(50)45-34(41(54)55)24-28-15-20-30(48)21-16-28/h13-16,18-21,25-26,31-36,42,47-49H,7-12,17,22-24H2,1-6H3,(H,43,51)(H,44,52)(H,45,50)(H,46,53)(H,54,55)
+CH$LINK: PUBCHEM CID:146683730
+CH$LINK: INCHIKEY YSNCVQPXJAIHHN-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-807
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.183 min
+MS$FOCUSED_ION: BASE_PEAK 770.4698
+MS$FOCUSED_ION: PRECURSOR_M/Z 770.4699
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0006-2900000000-9915f8600cd1f036d7f6
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  55.0543 C4H7+ 1 55.0542 1.97
+  69.0699 C5H9+ 1 69.0699 0.58
+  70.065 C4H8N+ 1 70.0651 -1.79
+  72.0808 C4H10N+ 1 72.0808 0.92
+  86.0964 C5H12N+ 1 86.0964 0.26
+  121.0648 C8H9O+ 1 121.0648 -0.18
+  130.0862 C6H12NO2+ 1 130.0863 -0.78
+  132.1016 C6H14NO2+ 1 132.1019 -2.38
+  141.1022 C7H13N2O+ 1 141.1022 0.04
+  142.1588 C9H20N+ 1 142.159 -1.57
+  150.091 C9H12NO+ 1 150.0913 -2.05
+  154.1588 C10H20N+ 1 154.159 -1.2
+  172.1692 C10H22NO+ 1 172.1696 -2.52
+  182.1534 C11H20NO+ 2 182.1539 -2.98
+  196.1328 C11H18NO2+ 2 196.1332 -2.05
+  260.1279 C15H18NO3+ 2 260.1281 -0.92
+  271.1651 C13H23N2O4+ 2 271.1652 -0.67
+PK$NUM_PEAK: 17
+PK$PEAK: m/z int. rel.int.
+  55.0543 2136874.5 17
+  69.0699 1963654 15
+  70.065 1784295.2 14
+  72.0808 3091980.5 24
+  86.0964 58995444 471
+  121.0648 1446255 11
+  130.0862 9528251 76
+  132.1016 4605700 36
+  141.1022 3668899.8 29
+  142.1588 124926528 999
+  150.091 10005422 80
+  154.1588 14264845 114
+  172.1692 8774125 70
+  182.1534 40022256 320
+  196.1328 4089614.5 32
+  260.1279 1962501.4 15
+  271.1651 1290702.2 10
+//
diff --git a/Eawag/MSBNK-EAWAG-EC084707.txt b/Eawag/MSBNK-EAWAG-EC084707.txt
new file mode 100644
index 0000000000..9f42762e9a
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC084707.txt
@@ -0,0 +1,87 @@
+ACCESSION: MSBNK-EAWAG-EC084707
+RECORD_TITLE: Microginin 770; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1111/j.1574-6941.2012.01439.x
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 847
+CH$NAME: Microginin 770
+CH$NAME: (2-(2-(2-(2-hydroxy-3-(methylamino)decanamido)-3-methylbutanamido)-4-methylpentanamido)-4-(4-hydroxyphenyl)butanoyl)tyrosine
+CH$NAME: 2-[[2-[[2-[[2-[[2-hydroxy-3-(methylamino)decanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-4-(4-hydroxyphenyl)butanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C41H63N5O9
+CH$EXACT_MASS: 769.4625786
+CH$SMILES: O=C(NC(CC1=CC=C(O)C=C1)C(O)=O)C(CCC2=CC=C(O)C=C2)NC(C(CC(C)C)NC(C(C(C)C)NC(C(O)C(NC)CCCCCCC)=O)=O)=O
+CH$IUPAC: InChI=1S/C41H63N5O9/c1-7-8-9-10-11-12-31(42-6)36(49)40(53)46-35(26(4)5)39(52)44-33(23-25(2)3)38(51)43-32(22-17-27-13-18-29(47)19-14-27)37(50)45-34(41(54)55)24-28-15-20-30(48)21-16-28/h13-16,18-21,25-26,31-36,42,47-49H,7-12,17,22-24H2,1-6H3,(H,43,51)(H,44,52)(H,45,50)(H,46,53)(H,54,55)
+CH$LINK: PUBCHEM CID:146683730
+CH$LINK: INCHIKEY YSNCVQPXJAIHHN-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-807
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.183 min
+MS$FOCUSED_ION: BASE_PEAK 770.4698
+MS$FOCUSED_ION: PRECURSOR_M/Z 770.4699
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0006-4900000000-32eefb2db38980b0e149
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  55.0543 C4H7+ 1 55.0542 1.41
+  58.0652 C3H8N+ 1 58.0651 1.12
+  69.0699 C5H9+ 1 69.0699 0.47
+  70.0652 C4H8N+ 1 70.0651 0.82
+  72.0808 C4H10N+ 1 72.0808 0.81
+  81.0697 C6H9+ 1 81.0699 -1.97
+  84.0807 C5H10N+ 1 84.0808 -0.94
+  86.0965 C5H12N+ 1 86.0964 0.44
+  98.06 C5H8NO+ 1 98.06 -0.78
+  112.0755 C6H10NO+ 1 112.0757 -1.55
+  113.1074 C6H13N2+ 1 113.1073 0.42
+  114.0913 C6H12NO+ 1 114.0913 -0.15
+  121.0647 C8H9O+ 1 121.0648 -1.06
+  130.0861 C6H12NO2+ 1 130.0863 -1.49
+  132.1021 C6H14NO2+ 1 132.1019 1.2
+  141.102 C7H13N2O+ 1 141.1022 -1.7
+  142.1588 C9H20N+ 1 142.159 -1.46
+  150.0911 C9H12NO+ 1 150.0913 -1.54
+  154.1587 C10H20N+ 1 154.159 -2.09
+  172.1693 C10H22NO+ 1 172.1696 -1.81
+  182.1534 C11H20NO+ 2 182.1539 -2.81
+  196.1326 C11H18NO2+ 2 196.1332 -3.06
+PK$NUM_PEAK: 22
+PK$PEAK: m/z int. rel.int.
+  55.0543 5514695.5 44
+  58.0652 2130721.5 17
+  69.0699 6476143 52
+  70.0652 4152533 33
+  72.0808 6448449.5 51
+  81.0697 1914868.8 15
+  84.0807 2082826 16
+  86.0965 60480720 486
+  98.06 1442646.1 11
+  112.0755 1340673.1 10
+  113.1074 1702984.5 13
+  114.0913 3339405 26
+  121.0647 2263282 18
+  130.0861 11124744 89
+  132.1021 2256695.5 18
+  141.102 1453761 11
+  142.1588 124209960 999
+  150.0911 8278393 66
+  154.1587 11362540 91
+  172.1693 5191844 41
+  182.1534 21752264 174
+  196.1326 2420136 19
+//
diff --git a/Eawag/MSBNK-EAWAG-EC084708.txt b/Eawag/MSBNK-EAWAG-EC084708.txt
new file mode 100644
index 0000000000..cf4394de80
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC084708.txt
@@ -0,0 +1,89 @@
+ACCESSION: MSBNK-EAWAG-EC084708
+RECORD_TITLE: Microginin 770; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1111/j.1574-6941.2012.01439.x
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 847
+CH$NAME: Microginin 770
+CH$NAME: (2-(2-(2-(2-hydroxy-3-(methylamino)decanamido)-3-methylbutanamido)-4-methylpentanamido)-4-(4-hydroxyphenyl)butanoyl)tyrosine
+CH$NAME: 2-[[2-[[2-[[2-[[2-hydroxy-3-(methylamino)decanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-4-(4-hydroxyphenyl)butanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C41H63N5O9
+CH$EXACT_MASS: 769.4625786
+CH$SMILES: O=C(NC(CC1=CC=C(O)C=C1)C(O)=O)C(CCC2=CC=C(O)C=C2)NC(C(CC(C)C)NC(C(C(C)C)NC(C(O)C(NC)CCCCCCC)=O)=O)=O
+CH$IUPAC: InChI=1S/C41H63N5O9/c1-7-8-9-10-11-12-31(42-6)36(49)40(53)46-35(26(4)5)39(52)44-33(23-25(2)3)38(51)43-32(22-17-27-13-18-29(47)19-14-27)37(50)45-34(41(54)55)24-28-15-20-30(48)21-16-28/h13-16,18-21,25-26,31-36,42,47-49H,7-12,17,22-24H2,1-6H3,(H,43,51)(H,44,52)(H,45,50)(H,46,53)(H,54,55)
+CH$LINK: PUBCHEM CID:146683730
+CH$LINK: INCHIKEY YSNCVQPXJAIHHN-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-807
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.183 min
+MS$FOCUSED_ION: BASE_PEAK 770.4698
+MS$FOCUSED_ION: PRECURSOR_M/Z 770.4699
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-000f-7900000000-425c2dcf8733c8895592
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  55.0542 C4H7+ 1 55.0542 0.24
+  57.0699 C4H9+ 1 57.0699 0.31
+  58.0651 C3H8N+ 1 58.0651 -0.12
+  67.0543 C5H7+ 1 67.0542 0.55
+  69.0699 C5H9+ 1 69.0699 0.25
+  70.0652 C4H8N+ 1 70.0651 0.82
+  71.073 C4H9N+ 1 71.073 1.08
+  72.0808 C4H10N+ 1 72.0808 0.39
+  73.0523 C3H7NO+ 1 73.0522 0.56
+  81.0701 C6H9+ 1 81.0699 3.21
+  82.0652 C5H8N+ 1 82.0651 1
+  84.0809 C5H10N+ 1 84.0808 1.24
+  86.0964 C5H12N+ 1 86.0964 0.08
+  112.0757 C6H10NO+ 1 112.0757 -0.13
+  113.1072 C6H13N2+ 1 113.1073 -0.86
+  114.0912 C6H12NO+ 1 114.0913 -0.88
+  121.0646 C8H9O+ 1 121.0648 -1.44
+  130.0861 C6H12NO2+ 1 130.0863 -1.49
+  142.1588 C9H20N+ 1 142.159 -1.78
+  150.091 C9H12NO+ 1 150.0913 -2.05
+  154.1587 C10H20N+ 1 154.159 -1.89
+  172.1695 C10H22NO+ 1 172.1696 -0.66
+  182.1533 C11H20NO+ 2 182.1539 -3.31
+PK$NUM_PEAK: 23
+PK$PEAK: m/z int. rel.int.
+  55.0542 10164977 99
+  57.0699 1361472.9 13
+  58.0651 3824790 37
+  67.0543 2276290.8 22
+  69.0699 10573042 103
+  70.0652 5570874.5 54
+  71.073 1507820.6 14
+  72.0808 10099764 99
+  73.0523 1145322.6 11
+  81.0701 1976578.5 19
+  82.0652 1461684.9 14
+  84.0809 2894002.2 28
+  86.0964 59453784 583
+  112.0757 1214183.1 11
+  113.1072 1143648.8 11
+  114.0912 3346972.5 32
+  121.0646 2792274 27
+  130.0861 7774840.5 76
+  142.1588 101865112 999
+  150.091 7679961 75
+  154.1587 6171620 60
+  172.1695 2076797.9 20
+  182.1533 7488487 73
+//
diff --git a/Eawag/MSBNK-EAWAG-EC084709.txt b/Eawag/MSBNK-EAWAG-EC084709.txt
new file mode 100644
index 0000000000..de50e80fef
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC084709.txt
@@ -0,0 +1,77 @@
+ACCESSION: MSBNK-EAWAG-EC084709
+RECORD_TITLE: Microginin 770; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1111/j.1574-6941.2012.01439.x
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 847
+CH$NAME: Microginin 770
+CH$NAME: (2-(2-(2-(2-hydroxy-3-(methylamino)decanamido)-3-methylbutanamido)-4-methylpentanamido)-4-(4-hydroxyphenyl)butanoyl)tyrosine
+CH$NAME: 2-[[2-[[2-[[2-[[2-hydroxy-3-(methylamino)decanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-4-(4-hydroxyphenyl)butanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C41H63N5O9
+CH$EXACT_MASS: 769.4625786
+CH$SMILES: O=C(NC(CC1=CC=C(O)C=C1)C(O)=O)C(CCC2=CC=C(O)C=C2)NC(C(CC(C)C)NC(C(C(C)C)NC(C(O)C(NC)CCCCCCC)=O)=O)=O
+CH$IUPAC: InChI=1S/C41H63N5O9/c1-7-8-9-10-11-12-31(42-6)36(49)40(53)46-35(26(4)5)39(52)44-33(23-25(2)3)38(51)43-32(22-17-27-13-18-29(47)19-14-27)37(50)45-34(41(54)55)24-28-15-20-30(48)21-16-28/h13-16,18-21,25-26,31-36,42,47-49H,7-12,17,22-24H2,1-6H3,(H,43,51)(H,44,52)(H,45,50)(H,46,53)(H,54,55)
+CH$LINK: PUBCHEM CID:146683730
+CH$LINK: INCHIKEY YSNCVQPXJAIHHN-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-807
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.183 min
+MS$FOCUSED_ION: BASE_PEAK 770.4698
+MS$FOCUSED_ION: PRECURSOR_M/Z 770.4699
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-000f-9600000000-f837978d8b62f400898c
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  55.0543 C4H7+ 1 55.0542 0.72
+  57.07 C4H9+ 1 57.0699 1.79
+  58.0651 C3H8N+ 1 58.0651 0.4
+  67.0542 C5H7+ 1 67.0542 -0.25
+  69.0699 C5H9+ 1 69.0699 1.02
+  70.0652 C4H8N+ 1 70.0651 0.93
+  72.0809 C4H10N+ 1 72.0808 1.24
+  73.0521 C3H7NO+ 1 73.0522 -1.32
+  81.0699 C6H9+ 1 81.0699 0.01
+  82.0653 C5H8N+ 1 82.0651 2.58
+  84.0807 C5H10N+ 1 84.0808 -0.49
+  86.0965 C5H12N+ 1 86.0964 0.7
+  114.0911 C6H12NO+ 1 114.0913 -2.15
+  121.0651 C8H9O+ 1 121.0648 2.91
+  130.0861 C6H12NO2+ 1 130.0863 -1.02
+  142.1589 C9H20N+ 1 142.159 -1.14
+  150.091 C9H12NO+ 1 150.0913 -2.25
+PK$NUM_PEAK: 17
+PK$PEAK: m/z int. rel.int.
+  55.0543 13153993 235
+  57.07 1128190.2 20
+  58.0651 4323160 77
+  67.0542 1466062.2 26
+  69.0699 10457930 187
+  70.0652 5785314.5 103
+  72.0809 10594543 189
+  73.0521 835122.3 14
+  81.0699 1909126.8 34
+  82.0653 1007047.9 18
+  84.0807 2616289 46
+  86.0965 41649284 746
+  114.0911 1591999.2 28
+  121.0651 2419818.2 43
+  130.0861 2989381.8 53
+  142.1589 55770988 999
+  150.091 4952058 88
+//
diff --git a/Eawag/MSBNK-EAWAG-EC084751.txt b/Eawag/MSBNK-EAWAG-EC084751.txt
new file mode 100644
index 0000000000..469ba65674
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC084751.txt
@@ -0,0 +1,45 @@
+ACCESSION: MSBNK-EAWAG-EC084751
+RECORD_TITLE: Microginin 770; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1111/j.1574-6941.2012.01439.x
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 847
+CH$NAME: Microginin 770
+CH$NAME: (2-(2-(2-(2-hydroxy-3-(methylamino)decanamido)-3-methylbutanamido)-4-methylpentanamido)-4-(4-hydroxyphenyl)butanoyl)tyrosine
+CH$NAME: 2-[[2-[[2-[[2-[[2-hydroxy-3-(methylamino)decanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-4-(4-hydroxyphenyl)butanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C41H63N5O9
+CH$EXACT_MASS: 769.4625786
+CH$SMILES: O=C(NC(CC1=CC=C(O)C=C1)C(O)=O)C(CCC2=CC=C(O)C=C2)NC(C(CC(C)C)NC(C(C(C)C)NC(C(O)C(NC)CCCCCCC)=O)=O)=O
+CH$IUPAC: InChI=1S/C41H63N5O9/c1-7-8-9-10-11-12-31(42-6)36(49)40(53)46-35(26(4)5)39(52)44-33(23-25(2)3)38(51)43-32(22-17-27-13-18-29(47)19-14-27)37(50)45-34(41(54)55)24-28-15-20-30(48)21-16-28/h13-16,18-21,25-26,31-36,42,47-49H,7-12,17,22-24H2,1-6H3,(H,43,51)(H,44,52)(H,45,50)(H,46,53)(H,54,55)
+CH$LINK: PUBCHEM CID:146683730
+CH$LINK: INCHIKEY YSNCVQPXJAIHHN-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-805
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.170 min
+MS$FOCUSED_ION: BASE_PEAK 768.4551
+MS$FOCUSED_ION: PRECURSOR_M/Z 768.4553
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-014i-0000000900-83936563f9379cd2bc22
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  768.455 C41H62N5O9- 1 768.4553 -0.41
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  768.455 51572164 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC084752.txt b/Eawag/MSBNK-EAWAG-EC084752.txt
new file mode 100644
index 0000000000..ab35e866ea
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC084752.txt
@@ -0,0 +1,45 @@
+ACCESSION: MSBNK-EAWAG-EC084752
+RECORD_TITLE: Microginin 770; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1111/j.1574-6941.2012.01439.x
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 847
+CH$NAME: Microginin 770
+CH$NAME: (2-(2-(2-(2-hydroxy-3-(methylamino)decanamido)-3-methylbutanamido)-4-methylpentanamido)-4-(4-hydroxyphenyl)butanoyl)tyrosine
+CH$NAME: 2-[[2-[[2-[[2-[[2-hydroxy-3-(methylamino)decanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-4-(4-hydroxyphenyl)butanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C41H63N5O9
+CH$EXACT_MASS: 769.4625786
+CH$SMILES: O=C(NC(CC1=CC=C(O)C=C1)C(O)=O)C(CCC2=CC=C(O)C=C2)NC(C(CC(C)C)NC(C(C(C)C)NC(C(O)C(NC)CCCCCCC)=O)=O)=O
+CH$IUPAC: InChI=1S/C41H63N5O9/c1-7-8-9-10-11-12-31(42-6)36(49)40(53)46-35(26(4)5)39(52)44-33(23-25(2)3)38(51)43-32(22-17-27-13-18-29(47)19-14-27)37(50)45-34(41(54)55)24-28-15-20-30(48)21-16-28/h13-16,18-21,25-26,31-36,42,47-49H,7-12,17,22-24H2,1-6H3,(H,43,51)(H,44,52)(H,45,50)(H,46,53)(H,54,55)
+CH$LINK: PUBCHEM CID:146683730
+CH$LINK: INCHIKEY YSNCVQPXJAIHHN-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-805
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.170 min
+MS$FOCUSED_ION: BASE_PEAK 768.4551
+MS$FOCUSED_ION: PRECURSOR_M/Z 768.4553
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-014i-0000000900-a057ab6836e9021ad56d
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  768.4549 C41H62N5O9- 1 768.4553 -0.57
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  768.4549 41584784 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC084753.txt b/Eawag/MSBNK-EAWAG-EC084753.txt
new file mode 100644
index 0000000000..cf2046e534
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC084753.txt
@@ -0,0 +1,55 @@
+ACCESSION: MSBNK-EAWAG-EC084753
+RECORD_TITLE: Microginin 770; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1111/j.1574-6941.2012.01439.x
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 847
+CH$NAME: Microginin 770
+CH$NAME: (2-(2-(2-(2-hydroxy-3-(methylamino)decanamido)-3-methylbutanamido)-4-methylpentanamido)-4-(4-hydroxyphenyl)butanoyl)tyrosine
+CH$NAME: 2-[[2-[[2-[[2-[[2-hydroxy-3-(methylamino)decanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-4-(4-hydroxyphenyl)butanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C41H63N5O9
+CH$EXACT_MASS: 769.4625786
+CH$SMILES: O=C(NC(CC1=CC=C(O)C=C1)C(O)=O)C(CCC2=CC=C(O)C=C2)NC(C(CC(C)C)NC(C(C(C)C)NC(C(O)C(NC)CCCCCCC)=O)=O)=O
+CH$IUPAC: InChI=1S/C41H63N5O9/c1-7-8-9-10-11-12-31(42-6)36(49)40(53)46-35(26(4)5)39(52)44-33(23-25(2)3)38(51)43-32(22-17-27-13-18-29(47)19-14-27)37(50)45-34(41(54)55)24-28-15-20-30(48)21-16-28/h13-16,18-21,25-26,31-36,42,47-49H,7-12,17,22-24H2,1-6H3,(H,43,51)(H,44,52)(H,45,50)(H,46,53)(H,54,55)
+CH$LINK: PUBCHEM CID:146683730
+CH$LINK: INCHIKEY YSNCVQPXJAIHHN-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-805
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.170 min
+MS$FOCUSED_ION: BASE_PEAK 768.4551
+MS$FOCUSED_ION: PRECURSOR_M/Z 768.4553
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-014i-0000000900-7e345213e63e79571baf
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  180.0659 C7H8N4O2- 2 180.0653 3.36
+  282.1127 C15H14N4O2- 2 282.1122 1.57
+  357.1442 C17H19N5O4- 3 357.1443 -0.05
+  481.339 C25H45N4O5- 4 481.3395 -1.16
+  662.414 C34H56N5O8- 2 662.4134 0.88
+  768.4549 C41H62N5O9- 1 768.4553 -0.57
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  180.0659 1390476.9 42
+  282.1127 977104.8 30
+  357.1442 2133249.5 65
+  481.339 1131308.4 34
+  662.414 804459.8 24
+  768.4549 32442470 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC084754.txt b/Eawag/MSBNK-EAWAG-EC084754.txt
new file mode 100644
index 0000000000..75c33d6eb4
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC084754.txt
@@ -0,0 +1,71 @@
+ACCESSION: MSBNK-EAWAG-EC084754
+RECORD_TITLE: Microginin 770; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1111/j.1574-6941.2012.01439.x
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 847
+CH$NAME: Microginin 770
+CH$NAME: (2-(2-(2-(2-hydroxy-3-(methylamino)decanamido)-3-methylbutanamido)-4-methylpentanamido)-4-(4-hydroxyphenyl)butanoyl)tyrosine
+CH$NAME: 2-[[2-[[2-[[2-[[2-hydroxy-3-(methylamino)decanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-4-(4-hydroxyphenyl)butanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C41H63N5O9
+CH$EXACT_MASS: 769.4625786
+CH$SMILES: O=C(NC(CC1=CC=C(O)C=C1)C(O)=O)C(CCC2=CC=C(O)C=C2)NC(C(CC(C)C)NC(C(C(C)C)NC(C(O)C(NC)CCCCCCC)=O)=O)=O
+CH$IUPAC: InChI=1S/C41H63N5O9/c1-7-8-9-10-11-12-31(42-6)36(49)40(53)46-35(26(4)5)39(52)44-33(23-25(2)3)38(51)43-32(22-17-27-13-18-29(47)19-14-27)37(50)45-34(41(54)55)24-28-15-20-30(48)21-16-28/h13-16,18-21,25-26,31-36,42,47-49H,7-12,17,22-24H2,1-6H3,(H,43,51)(H,44,52)(H,45,50)(H,46,53)(H,54,55)
+CH$LINK: PUBCHEM CID:146683730
+CH$LINK: INCHIKEY YSNCVQPXJAIHHN-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-805
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.170 min
+MS$FOCUSED_ION: BASE_PEAK 768.4551
+MS$FOCUSED_ION: PRECURSOR_M/Z 768.4553
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0159-0444101900-fb5dfee35e9a639457ef
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  119.0502 C8H7O- 1 119.0502 -0.4
+  143.1189 C7H15N2O- 1 143.119 -0.75
+  163.0395 C9H7O3- 2 163.0401 -3.3
+  180.0658 C7H8N4O2- 2 180.0653 2.77
+  206.0445 C8H6N4O3- 1 206.0445 -0.15
+  242.1866 C12H24N3O2- 1 242.1874 -3.36
+  279.2064 C14H25N5O- 3 279.2065 -0.07
+  282.1128 C15H14N4O2- 2 282.1122 1.9
+  326.1022 C18H16NO5- 3 326.1034 -3.51
+  328.2595 C17H34N3O3- 2 328.2606 -3.19
+  357.1449 C17H19N5O4- 2 357.1443 1.83
+  441.3445 C23H45N4O4- 3 441.3446 -0.38
+  662.4129 C34H56N5O8- 2 662.4134 -0.87
+  768.4552 C41H62N5O9- 1 768.4553 -0.09
+PK$NUM_PEAK: 14
+PK$PEAK: m/z int. rel.int.
+  119.0502 261624.2 18
+  143.1189 697282.2 48
+  163.0395 583342.4 40
+  180.0658 5688833.5 392
+  206.0445 902270.5 62
+  242.1866 862314.3 59
+  279.2064 796632.6 55
+  282.1128 4567442 315
+  326.1022 1358677.1 93
+  328.2595 581230.1 40
+  357.1449 5254682 362
+  441.3445 1963259.2 135
+  662.4129 1839115.9 127
+  768.4552 14465551 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC084755.txt b/Eawag/MSBNK-EAWAG-EC084755.txt
new file mode 100644
index 0000000000..ce813a1f3c
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC084755.txt
@@ -0,0 +1,95 @@
+ACCESSION: MSBNK-EAWAG-EC084755
+RECORD_TITLE: Microginin 770; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1111/j.1574-6941.2012.01439.x
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 847
+CH$NAME: Microginin 770
+CH$NAME: (2-(2-(2-(2-hydroxy-3-(methylamino)decanamido)-3-methylbutanamido)-4-methylpentanamido)-4-(4-hydroxyphenyl)butanoyl)tyrosine
+CH$NAME: 2-[[2-[[2-[[2-[[2-hydroxy-3-(methylamino)decanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-4-(4-hydroxyphenyl)butanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C41H63N5O9
+CH$EXACT_MASS: 769.4625786
+CH$SMILES: O=C(NC(CC1=CC=C(O)C=C1)C(O)=O)C(CCC2=CC=C(O)C=C2)NC(C(CC(C)C)NC(C(C(C)C)NC(C(O)C(NC)CCCCCCC)=O)=O)=O
+CH$IUPAC: InChI=1S/C41H63N5O9/c1-7-8-9-10-11-12-31(42-6)36(49)40(53)46-35(26(4)5)39(52)44-33(23-25(2)3)38(51)43-32(22-17-27-13-18-29(47)19-14-27)37(50)45-34(41(54)55)24-28-15-20-30(48)21-16-28/h13-16,18-21,25-26,31-36,42,47-49H,7-12,17,22-24H2,1-6H3,(H,43,51)(H,44,52)(H,45,50)(H,46,53)(H,54,55)
+CH$LINK: PUBCHEM CID:146683730
+CH$LINK: INCHIKEY YSNCVQPXJAIHHN-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-805
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.170 min
+MS$FOCUSED_ION: BASE_PEAK 768.4551
+MS$FOCUSED_ION: PRECURSOR_M/Z 768.4553
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-001i-0951000000-fc7aa8949a374bf1dfba
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  82.0663 C5H8N- 1 82.0662 0.75
+  93.0346 C6H5O- 1 93.0346 -0.13
+  100.004 C3H2NO3- 1 100.004 0.28
+  119.0502 C8H7O- 1 119.0502 -0.6
+  126.0559 C6H8NO2- 1 126.0561 -1.04
+  129.1032 C6H13N2O- 1 129.1033 -0.71
+  130.0872 C6H12NO2- 1 130.0874 -1.19
+  134.0609 C8H8NO- 1 134.0611 -1.81
+  138.0556 C7H8NO2- 1 138.0561 -3.15
+  143.1186 C7H15N2O- 1 143.119 -2.78
+  145.0292 C9H5O2- 1 145.0295 -1.82
+  146.0605 C9H8NO- 2 146.0611 -4.32
+  147.0446 C9H7O2- 1 147.0452 -3.79
+  162.0554 C9H8NO2- 2 162.0561 -3.97
+  163.0395 C9H7O3- 2 163.0401 -3.59
+  176.071 C8H8N4O- 2 176.0704 3.82
+  180.0658 C7H8N4O2- 2 180.0653 2.85
+  205.0974 C9H11N5O- 2 205.0969 2.46
+  207.1127 C9H13N5O- 1 207.1126 0.87
+  211.144 C9H17N5O- 1 211.1439 0.46
+  242.1865 C12H24N3O2- 1 242.1874 -3.8
+  251.1028 C10H13N5O3- 2 251.1024 1.78
+  279.2066 C14H25N5O- 2 279.2065 0.48
+  282.1128 C15H14N4O2- 2 282.1122 1.9
+  328.2596 C17H34N3O3- 1 328.2606 -2.92
+  357.1448 C17H19N5O4- 2 357.1443 1.66
+PK$NUM_PEAK: 26
+PK$PEAK: m/z int. rel.int.
+  82.0663 213500.5 23
+  93.0346 551444.8 61
+  100.004 369487.4 41
+  119.0502 2192893.2 244
+  126.0559 1106420.2 123
+  129.1032 1080276.9 120
+  130.0872 422179.8 47
+  134.0609 2055872.9 229
+  138.0556 846056.9 94
+  143.1186 3187337.8 355
+  145.0292 694223.5 77
+  146.0605 285071.3 31
+  147.0446 1234296.9 137
+  162.0554 757239.5 84
+  163.0395 1853144.5 206
+  176.071 947948.6 105
+  180.0658 8957958 999
+  205.0974 754253.9 84
+  207.1127 1930756.5 215
+  211.144 1851819.6 206
+  242.1865 1897151 211
+  251.1028 1343476.9 149
+  279.2066 1158677.5 129
+  282.1128 7017053.5 782
+  328.2596 892039.2 99
+  357.1448 3044114 339
+//
diff --git a/Eawag/MSBNK-EAWAG-EC084756.txt b/Eawag/MSBNK-EAWAG-EC084756.txt
new file mode 100644
index 0000000000..142543d6e2
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC084756.txt
@@ -0,0 +1,99 @@
+ACCESSION: MSBNK-EAWAG-EC084756
+RECORD_TITLE: Microginin 770; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1111/j.1574-6941.2012.01439.x
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 847
+CH$NAME: Microginin 770
+CH$NAME: (2-(2-(2-(2-hydroxy-3-(methylamino)decanamido)-3-methylbutanamido)-4-methylpentanamido)-4-(4-hydroxyphenyl)butanoyl)tyrosine
+CH$NAME: 2-[[2-[[2-[[2-[[2-hydroxy-3-(methylamino)decanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-4-(4-hydroxyphenyl)butanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C41H63N5O9
+CH$EXACT_MASS: 769.4625786
+CH$SMILES: O=C(NC(CC1=CC=C(O)C=C1)C(O)=O)C(CCC2=CC=C(O)C=C2)NC(C(CC(C)C)NC(C(C(C)C)NC(C(O)C(NC)CCCCCCC)=O)=O)=O
+CH$IUPAC: InChI=1S/C41H63N5O9/c1-7-8-9-10-11-12-31(42-6)36(49)40(53)46-35(26(4)5)39(52)44-33(23-25(2)3)38(51)43-32(22-17-27-13-18-29(47)19-14-27)37(50)45-34(41(54)55)24-28-15-20-30(48)21-16-28/h13-16,18-21,25-26,31-36,42,47-49H,7-12,17,22-24H2,1-6H3,(H,43,51)(H,44,52)(H,45,50)(H,46,53)(H,54,55)
+CH$LINK: PUBCHEM CID:146683730
+CH$LINK: INCHIKEY YSNCVQPXJAIHHN-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-805
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.170 min
+MS$FOCUSED_ION: BASE_PEAK 768.4551
+MS$FOCUSED_ION: PRECURSOR_M/Z 768.4553
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-001i-0920000000-4f067d21de6d73f1debe
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  74.0248 C2H4NO2- 1 74.0248 0.83
+  82.0662 C5H8N- 1 82.0662 0.2
+  87.0565 C3H7N2O- 1 87.0564 0.74
+  93.0346 C6H5O- 1 93.0346 0.37
+  94.0663 C6H8N- 1 94.0662 0.31
+  99.0565 C4H7N2O- 1 99.0564 0.82
+  100.004 C3H2NO3- 1 100.004 -0.56
+  106.0421 C7H6O- 1 106.0424 -2.59
+  107.0502 C7H7O- 1 107.0502 -0.57
+  112.0769 C6H10NO- 1 112.0768 0.73
+  119.0501 C8H7O- 1 119.0502 -0.79
+  126.0559 C6H8NO2- 1 126.0561 -1.4
+  129.1031 C6H13N2O- 1 129.1033 -1.77
+  134.0608 C8H8NO- 1 134.0611 -2.26
+  138.0558 C7H8NO2- 1 138.0561 -2.05
+  143.1186 C7H15N2O- 1 143.119 -2.67
+  147.0448 C9H7O2- 1 147.0452 -2.44
+  162.0556 C9H8NO2- 1 162.0561 -2.75
+  163.0394 C9H7O3- 2 163.0401 -4.05
+  168.0899 C8H12N2O2- 1 168.0904 -2.92
+  176.0708 C8H8N4O- 1 176.0704 2.35
+  180.0658 C7H8N4O2- 2 180.0653 2.94
+  205.0974 C9H11N5O- 2 205.0969 2.54
+  207.1128 C9H13N5O- 1 207.1126 1.39
+  211.144 C9H17N5O- 1 211.1439 0.74
+  242.1858 C9H26N2O5- 1 242.1847 4.37
+  251.1023 C10H13N5O3- 1 251.1024 -0.29
+  282.1126 C15H14N4O2- 2 282.1122 1.25
+PK$NUM_PEAK: 28
+PK$PEAK: m/z int. rel.int.
+  74.0248 733900.6 110
+  82.0662 474025.1 71
+  87.0565 809993.4 122
+  93.0346 810577.9 122
+  94.0663 295727.7 44
+  99.0565 170915.7 25
+  100.004 355560.3 53
+  106.0421 328989.2 49
+  107.0502 653761.5 98
+  112.0769 348190 52
+  119.0501 5134839.5 776
+  126.0559 457419.6 69
+  129.1031 2697870.5 407
+  134.0608 3533228.5 534
+  138.0558 791430.9 119
+  143.1186 4384563 663
+  147.0448 677794.1 102
+  162.0556 1117780.5 169
+  163.0394 2538732.2 383
+  168.0899 434189.2 65
+  176.0708 915267.9 138
+  180.0658 6605846 999
+  205.0974 816891.4 123
+  207.1128 2119846.5 320
+  211.144 1293011.9 195
+  242.1858 1115009 168
+  251.1023 669739.4 101
+  282.1126 3093372.5 467
+//
diff --git a/Eawag/MSBNK-EAWAG-EC084757.txt b/Eawag/MSBNK-EAWAG-EC084757.txt
new file mode 100644
index 0000000000..339ef954ca
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC084757.txt
@@ -0,0 +1,101 @@
+ACCESSION: MSBNK-EAWAG-EC084757
+RECORD_TITLE: Microginin 770; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1111/j.1574-6941.2012.01439.x
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 847
+CH$NAME: Microginin 770
+CH$NAME: (2-(2-(2-(2-hydroxy-3-(methylamino)decanamido)-3-methylbutanamido)-4-methylpentanamido)-4-(4-hydroxyphenyl)butanoyl)tyrosine
+CH$NAME: 2-[[2-[[2-[[2-[[2-hydroxy-3-(methylamino)decanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-4-(4-hydroxyphenyl)butanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C41H63N5O9
+CH$EXACT_MASS: 769.4625786
+CH$SMILES: O=C(NC(CC1=CC=C(O)C=C1)C(O)=O)C(CCC2=CC=C(O)C=C2)NC(C(CC(C)C)NC(C(C(C)C)NC(C(O)C(NC)CCCCCCC)=O)=O)=O
+CH$IUPAC: InChI=1S/C41H63N5O9/c1-7-8-9-10-11-12-31(42-6)36(49)40(53)46-35(26(4)5)39(52)44-33(23-25(2)3)38(51)43-32(22-17-27-13-18-29(47)19-14-27)37(50)45-34(41(54)55)24-28-15-20-30(48)21-16-28/h13-16,18-21,25-26,31-36,42,47-49H,7-12,17,22-24H2,1-6H3,(H,43,51)(H,44,52)(H,45,50)(H,46,53)(H,54,55)
+CH$LINK: PUBCHEM CID:146683730
+CH$LINK: INCHIKEY YSNCVQPXJAIHHN-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-805
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.170 min
+MS$FOCUSED_ION: BASE_PEAK 768.4551
+MS$FOCUSED_ION: PRECURSOR_M/Z 768.4553
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-015c-1900000000-735edcfc033f5412a4c4
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  58.0299 C2H4NO- 1 58.0298 0.61
+  72.0092 C2H2NO2- 1 72.0091 0.97
+  74.0249 C2H4NO2- 1 74.0248 1.45
+  82.0662 C5H8N- 1 82.0662 -0.27
+  85.0408 C3H5N2O- 1 85.0407 0.82
+  87.0563 C3H7N2O- 1 87.0564 -0.75
+  93.0346 C6H5O- 1 93.0346 -0.04
+  106.0424 C7H6O- 1 106.0424 0.07
+  107.0501 C7H7O- 1 107.0502 -0.85
+  112.0769 C6H10NO- 1 112.0768 1.21
+  119.0501 C8H7O- 1 119.0502 -1.04
+  129.1031 C6H13N2O- 1 129.1033 -1.77
+  132.0574 C9H8O- 1 132.0581 -4.74
+  133.0532 C8H7NO- 1 133.0533 -0.85
+  134.0608 C8H8NO- 1 134.0611 -2.38
+  136.0765 C8H10NO- 1 136.0768 -1.79
+  138.0556 C7H8NO2- 1 138.0561 -3.15
+  143.1186 C7H15N2O- 1 143.119 -2.67
+  145.029 C9H5O2- 1 145.0295 -3.61
+  154.074 C5H8N5O- 1 154.0734 3.37
+  162.0554 C9H8NO2- 2 162.0561 -3.78
+  163.0395 C9H7O3- 2 163.0401 -3.49
+  168.0898 C8H12N2O2- 2 168.0904 -3.56
+  176.071 C8H8N4O- 2 176.0704 3.56
+  180.0659 C7H8N4O2- 2 180.0653 3.7
+  207.1128 C9H13N5O- 1 207.1126 1.09
+  211.1436 C9H17N5O- 1 211.1439 -1.06
+  242.1864 C12H24N3O2- 1 242.1874 -4.18
+  282.1126 C15H14N4O2- 2 282.1122 1.25
+PK$NUM_PEAK: 29
+PK$PEAK: m/z int. rel.int.
+  58.0299 515472.3 75
+  72.0092 787360.4 114
+  74.0249 887671.6 129
+  82.0662 469220.5 68
+  85.0408 560735.7 81
+  87.0563 1393367.8 203
+  93.0346 1257667.4 183
+  106.0424 538299.7 78
+  107.0501 598127.3 87
+  112.0769 354558.8 51
+  119.0501 6841017 999
+  129.1031 3151337.2 460
+  132.0574 355350.1 51
+  133.0532 257535.4 37
+  134.0608 3244831.8 473
+  136.0765 576263.4 84
+  138.0556 441603 64
+  143.1186 3440616 502
+  145.029 749939.7 109
+  154.074 438972.6 64
+  162.0554 969117.9 141
+  163.0395 2269506.5 331
+  168.0898 535035.5 78
+  176.071 466480.4 68
+  180.0659 2798541.5 408
+  207.1128 1199736.5 175
+  211.1436 599907.2 87
+  242.1864 427571.3 62
+  282.1126 712867 104
+//
diff --git a/Eawag/MSBNK-EAWAG-EC084758.txt b/Eawag/MSBNK-EAWAG-EC084758.txt
new file mode 100644
index 0000000000..de2e81164c
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC084758.txt
@@ -0,0 +1,69 @@
+ACCESSION: MSBNK-EAWAG-EC084758
+RECORD_TITLE: Microginin 770; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1111/j.1574-6941.2012.01439.x
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 847
+CH$NAME: Microginin 770
+CH$NAME: (2-(2-(2-(2-hydroxy-3-(methylamino)decanamido)-3-methylbutanamido)-4-methylpentanamido)-4-(4-hydroxyphenyl)butanoyl)tyrosine
+CH$NAME: 2-[[2-[[2-[[2-[[2-hydroxy-3-(methylamino)decanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-4-(4-hydroxyphenyl)butanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C41H63N5O9
+CH$EXACT_MASS: 769.4625786
+CH$SMILES: O=C(NC(CC1=CC=C(O)C=C1)C(O)=O)C(CCC2=CC=C(O)C=C2)NC(C(CC(C)C)NC(C(C(C)C)NC(C(O)C(NC)CCCCCCC)=O)=O)=O
+CH$IUPAC: InChI=1S/C41H63N5O9/c1-7-8-9-10-11-12-31(42-6)36(49)40(53)46-35(26(4)5)39(52)44-33(23-25(2)3)38(51)43-32(22-17-27-13-18-29(47)19-14-27)37(50)45-34(41(54)55)24-28-15-20-30(48)21-16-28/h13-16,18-21,25-26,31-36,42,47-49H,7-12,17,22-24H2,1-6H3,(H,43,51)(H,44,52)(H,45,50)(H,46,53)(H,54,55)
+CH$LINK: PUBCHEM CID:146683730
+CH$LINK: INCHIKEY YSNCVQPXJAIHHN-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-805
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.170 min
+MS$FOCUSED_ION: BASE_PEAK 768.4551
+MS$FOCUSED_ION: PRECURSOR_M/Z 768.4553
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-014i-2900000000-63c8cc4a9b551691d653
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  66.0349 C4H4N- 1 66.0349 -0.67
+  72.0091 C2H2NO2- 1 72.0091 -0.09
+  74.0246 C2H4NO2- 1 74.0248 -1.44
+  87.0563 C3H7N2O- 1 87.0564 -0.58
+  93.0344 C6H5O- 1 93.0346 -1.77
+  106.0423 C7H6O- 1 106.0424 -0.65
+  107.05 C7H7O- 1 107.0502 -1.78
+  119.0501 C8H7O- 1 119.0502 -1.11
+  125.0355 C5H5N2O2- 1 125.0357 -1.07
+  129.103 C6H13N2O- 1 129.1033 -2.24
+  134.0608 C8H8NO- 1 134.0611 -2.26
+  143.1186 C7H15N2O- 1 143.119 -2.99
+  180.0654 C7H8N4O2- 1 180.0653 0.65
+PK$NUM_PEAK: 13
+PK$PEAK: m/z int. rel.int.
+  66.0349 595608.9 80
+  72.0091 683618.9 92
+  74.0246 709416.8 96
+  87.0563 1442181.1 195
+  93.0344 976902.4 132
+  106.0423 419368.8 56
+  107.05 508561.5 68
+  119.0501 7368994.5 999
+  125.0355 255179.7 34
+  129.103 2583514 350
+  134.0608 2517037.2 341
+  143.1186 1994267.9 270
+  180.0654 886101.8 120
+//
diff --git a/Eawag/MSBNK-EAWAG-EC084759.txt b/Eawag/MSBNK-EAWAG-EC084759.txt
new file mode 100644
index 0000000000..1ab33a3ea9
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC084759.txt
@@ -0,0 +1,67 @@
+ACCESSION: MSBNK-EAWAG-EC084759
+RECORD_TITLE: Microginin 770; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1111/j.1574-6941.2012.01439.x
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 847
+CH$NAME: Microginin 770
+CH$NAME: (2-(2-(2-(2-hydroxy-3-(methylamino)decanamido)-3-methylbutanamido)-4-methylpentanamido)-4-(4-hydroxyphenyl)butanoyl)tyrosine
+CH$NAME: 2-[[2-[[2-[[2-[[2-hydroxy-3-(methylamino)decanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-4-(4-hydroxyphenyl)butanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C41H63N5O9
+CH$EXACT_MASS: 769.4625786
+CH$SMILES: O=C(NC(CC1=CC=C(O)C=C1)C(O)=O)C(CCC2=CC=C(O)C=C2)NC(C(CC(C)C)NC(C(C(C)C)NC(C(O)C(NC)CCCCCCC)=O)=O)=O
+CH$IUPAC: InChI=1S/C41H63N5O9/c1-7-8-9-10-11-12-31(42-6)36(49)40(53)46-35(26(4)5)39(52)44-33(23-25(2)3)38(51)43-32(22-17-27-13-18-29(47)19-14-27)37(50)45-34(41(54)55)24-28-15-20-30(48)21-16-28/h13-16,18-21,25-26,31-36,42,47-49H,7-12,17,22-24H2,1-6H3,(H,43,51)(H,44,52)(H,45,50)(H,46,53)(H,54,55)
+CH$LINK: PUBCHEM CID:146683730
+CH$LINK: INCHIKEY YSNCVQPXJAIHHN-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-805
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.170 min
+MS$FOCUSED_ION: BASE_PEAK 768.4551
+MS$FOCUSED_ION: PRECURSOR_M/Z 768.4553
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-014i-2900000000-26477cddeede545f2f98
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  66.0349 C4H4N- 1 66.0349 -0.67
+  74.0248 C2H4NO2- 1 74.0248 0.31
+  87.0564 C3H7N2O- 1 87.0564 0.21
+  93.0345 C6H5O- 1 93.0346 -1.03
+  107.0502 C7H7O- 1 107.0502 -0.71
+  117.0346 C8H5O- 1 117.0346 0.48
+  119.0501 C8H7O- 1 119.0502 -1.24
+  129.1031 C6H13N2O- 1 129.1033 -2.13
+  133.0531 C8H7NO- 1 133.0533 -1.76
+  134.0608 C8H8NO- 1 134.0611 -2.15
+  143.1184 C7H15N2O- 1 143.119 -4.06
+  174.0557 C10H8NO2- 1 174.0561 -2
+PK$NUM_PEAK: 12
+PK$PEAK: m/z int. rel.int.
+  66.0349 563963 84
+  74.0248 637531.4 95
+  87.0564 1101799.5 165
+  93.0345 1127656.1 169
+  107.0502 449588.2 67
+  117.0346 388233 58
+  119.0501 6665674 999
+  129.1031 1511019 226
+  133.0531 751257.7 112
+  134.0608 1874841.2 280
+  143.1184 815159.2 122
+  174.0557 169258.4 25
+//
diff --git a/Eawag/MSBNK-EAWAG-EC085701.txt b/Eawag/MSBNK-EAWAG-EC085701.txt
new file mode 100644
index 0000000000..a70a37ec91
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC085701.txt
@@ -0,0 +1,50 @@
+ACCESSION: MSBNK-EAWAG-EC085701
+RECORD_TITLE: Microginin 767 (and isomers); LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], A. Miglione [dtc], L. Tartaglione [dtc], F. Varriale [dtc], C. Dell'Aversano [dtc], S.K. Zervou [dtc], T. M. Triantis [dtc], T. Kaloudis [dtc], A. Hiskia [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.chemosphere.2022.137012
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 857
+CH$NAME: Microginin 767 (and isomers)
+CH$NAME: 2-[[1-[2-[[2-[[2-hydroxy-3-(methylamino)decanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]-methylamino]-3-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C41H61N5O9
+CH$EXACT_MASS: 767.4469285
+CH$SMILES: OC(C(NC(C(N(C(C(N1C(C(NC(CC2=CC=C(O)C=C2)C(O)=O)=O)CCC1)=O)C(CC)C)C)=O)CC3=CC=C(O)C=C3)=O)C(NC)CCCCCCC
+CH$IUPAC: InChI=1S/C41H61N5O9/c1-6-8-9-10-11-13-31(42-4)36(49)38(51)43-32(24-27-15-19-29(47)20-16-27)39(52)45(5)35(26(3)7-2)40(53)46-23-12-14-34(46)37(50)44-33(41(54)55)25-28-17-21-30(48)22-18-28/h15-22,26,31-36,42,47-49H,6-14,23-25H2,1-5H3,(H,43,51)(H,44,50)(H,54,55)
+CH$LINK: PUBCHEM CID:146683918
+CH$LINK: INCHIKEY IFMJJUPZIKGJIU-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-805
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.276 min
+MS$FOCUSED_ION: BASE_PEAK 132.9584
+MS$FOCUSED_ION: PRECURSOR_M/Z 768.4542
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0006-0000900200-58d7cf4e3cc7851d6116
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  345.2181 C20H29N2O3+ 1 345.2173 2.54
+  349.1766 C18H25N2O5+ 1 349.1758 2.41
+  490.3289 C29H46O6+ 3 490.3289 -0.05
+  768.4573 C41H62N5O9+ 1 768.4542 4
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  345.2181 8753.8 18
+  349.1766 10753.9 23
+  490.3289 464063.9 999
+  768.4573 122128.4 262
+//
diff --git a/Eawag/MSBNK-EAWAG-EC085702.txt b/Eawag/MSBNK-EAWAG-EC085702.txt
new file mode 100644
index 0000000000..5801a8f109
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC085702.txt
@@ -0,0 +1,46 @@
+ACCESSION: MSBNK-EAWAG-EC085702
+RECORD_TITLE: Microginin 767 (and isomers); LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], A. Miglione [dtc], L. Tartaglione [dtc], F. Varriale [dtc], C. Dell'Aversano [dtc], S.K. Zervou [dtc], T. M. Triantis [dtc], T. Kaloudis [dtc], A. Hiskia [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.chemosphere.2022.137012
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 857
+CH$NAME: Microginin 767 (and isomers)
+CH$NAME: 2-[[1-[2-[[2-[[2-hydroxy-3-(methylamino)decanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]-methylamino]-3-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C41H61N5O9
+CH$EXACT_MASS: 767.4469285
+CH$SMILES: OC(C(NC(C(N(C(C(N1C(C(NC(CC2=CC=C(O)C=C2)C(O)=O)=O)CCC1)=O)C(CC)C)C)=O)CC3=CC=C(O)C=C3)=O)C(NC)CCCCCCC
+CH$IUPAC: InChI=1S/C41H61N5O9/c1-6-8-9-10-11-13-31(42-4)36(49)38(51)43-32(24-27-15-19-29(47)20-16-27)39(52)45(5)35(26(3)7-2)40(53)46-23-12-14-34(46)37(50)44-33(41(54)55)25-28-17-21-30(48)22-18-28/h15-22,26,31-36,42,47-49H,6-14,23-25H2,1-5H3,(H,43,51)(H,44,50)(H,54,55)
+CH$LINK: PUBCHEM CID:146683918
+CH$LINK: INCHIKEY IFMJJUPZIKGJIU-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-805
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.276 min
+MS$FOCUSED_ION: BASE_PEAK 132.9584
+MS$FOCUSED_ION: PRECURSOR_M/Z 768.4542
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0006-0001900000-2b78c96dc0187f833a68
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  345.2182 C20H29N2O3+ 2 345.2173 2.81
+  490.3291 C29H46O6+ 3 490.3289 0.38
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  345.2182 74169.5 133
+  490.3291 554559.7 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC085703.txt b/Eawag/MSBNK-EAWAG-EC085703.txt
new file mode 100644
index 0000000000..ebae5631c1
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC085703.txt
@@ -0,0 +1,52 @@
+ACCESSION: MSBNK-EAWAG-EC085703
+RECORD_TITLE: Microginin 767 (and isomers); LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], A. Miglione [dtc], L. Tartaglione [dtc], F. Varriale [dtc], C. Dell'Aversano [dtc], S.K. Zervou [dtc], T. M. Triantis [dtc], T. Kaloudis [dtc], A. Hiskia [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.chemosphere.2022.137012
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 857
+CH$NAME: Microginin 767 (and isomers)
+CH$NAME: 2-[[1-[2-[[2-[[2-hydroxy-3-(methylamino)decanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]-methylamino]-3-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C41H61N5O9
+CH$EXACT_MASS: 767.4469285
+CH$SMILES: OC(C(NC(C(N(C(C(N1C(C(NC(CC2=CC=C(O)C=C2)C(O)=O)=O)CCC1)=O)C(CC)C)C)=O)CC3=CC=C(O)C=C3)=O)C(NC)CCCCCCC
+CH$IUPAC: InChI=1S/C41H61N5O9/c1-6-8-9-10-11-13-31(42-4)36(49)38(51)43-32(24-27-15-19-29(47)20-16-27)39(52)45(5)35(26(3)7-2)40(53)46-23-12-14-34(46)37(50)44-33(41(54)55)25-28-17-21-30(48)22-18-28/h15-22,26,31-36,42,47-49H,6-14,23-25H2,1-5H3,(H,43,51)(H,44,50)(H,54,55)
+CH$LINK: PUBCHEM CID:146683918
+CH$LINK: INCHIKEY IFMJJUPZIKGJIU-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-805
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.276 min
+MS$FOCUSED_ION: BASE_PEAK 132.9584
+MS$FOCUSED_ION: PRECURSOR_M/Z 768.4542
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0007-0708900000-f808aeeb7b7294eec585
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  142.1594 C9H20N+ 1 142.159 2.3
+  182.154 C11H20NO+ 1 182.1539 0.43
+  345.2176 C20H29N2O3+ 2 345.2173 0.86
+  349.1761 C18H25N2O5+ 2 349.1758 0.92
+  490.329 C29H46O6+ 3 490.3289 0.2
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  142.1594 64107.4 225
+  182.154 157053.4 553
+  345.2176 167153 588
+  349.1761 102545.2 361
+  490.329 283556.4 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC085704.txt b/Eawag/MSBNK-EAWAG-EC085704.txt
new file mode 100644
index 0000000000..d59869c1c0
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC085704.txt
@@ -0,0 +1,54 @@
+ACCESSION: MSBNK-EAWAG-EC085704
+RECORD_TITLE: Microginin 767 (and isomers); LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], A. Miglione [dtc], L. Tartaglione [dtc], F. Varriale [dtc], C. Dell'Aversano [dtc], S.K. Zervou [dtc], T. M. Triantis [dtc], T. Kaloudis [dtc], A. Hiskia [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.chemosphere.2022.137012
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 857
+CH$NAME: Microginin 767 (and isomers)
+CH$NAME: 2-[[1-[2-[[2-[[2-hydroxy-3-(methylamino)decanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]-methylamino]-3-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C41H61N5O9
+CH$EXACT_MASS: 767.4469285
+CH$SMILES: OC(C(NC(C(N(C(C(N1C(C(NC(CC2=CC=C(O)C=C2)C(O)=O)=O)CCC1)=O)C(CC)C)C)=O)CC3=CC=C(O)C=C3)=O)C(NC)CCCCCCC
+CH$IUPAC: InChI=1S/C41H61N5O9/c1-6-8-9-10-11-13-31(42-4)36(49)38(51)43-32(24-27-15-19-29(47)20-16-27)39(52)45(5)35(26(3)7-2)40(53)46-23-12-14-34(46)37(50)44-33(41(54)55)25-28-17-21-30(48)22-18-28/h15-22,26,31-36,42,47-49H,6-14,23-25H2,1-5H3,(H,43,51)(H,44,50)(H,54,55)
+CH$LINK: PUBCHEM CID:146683918
+CH$LINK: INCHIKEY IFMJJUPZIKGJIU-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-805
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.276 min
+MS$FOCUSED_ION: BASE_PEAK 132.9584
+MS$FOCUSED_ION: PRECURSOR_M/Z 768.4542
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0f8d-0903000000-f2c64c7038887044c7f6
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  100.1122 C6H14N+ 1 100.1121 1.69
+  142.1589 C9H20N+ 1 142.159 -0.6
+  154.159 C10H20N+ 1 154.159 -0.19
+  182.154 C11H20NO+ 1 182.1539 0.26
+  345.2177 C20H29N2O3+ 1 345.2173 1.39
+  349.1758 C18H25N2O5+ 2 349.1758 -0.13
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  100.1122 115269.4 463
+  142.1589 134026 538
+  154.159 54048.8 217
+  182.154 248712.4 999
+  345.2177 110731 444
+  349.1758 76167.4 305
+//
diff --git a/Eawag/MSBNK-EAWAG-EC085705.txt b/Eawag/MSBNK-EAWAG-EC085705.txt
new file mode 100644
index 0000000000..7822ffecf4
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC085705.txt
@@ -0,0 +1,50 @@
+ACCESSION: MSBNK-EAWAG-EC085705
+RECORD_TITLE: Microginin 767 (and isomers); LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], A. Miglione [dtc], L. Tartaglione [dtc], F. Varriale [dtc], C. Dell'Aversano [dtc], S.K. Zervou [dtc], T. M. Triantis [dtc], T. Kaloudis [dtc], A. Hiskia [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.chemosphere.2022.137012
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 857
+CH$NAME: Microginin 767 (and isomers)
+CH$NAME: 2-[[1-[2-[[2-[[2-hydroxy-3-(methylamino)decanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]-methylamino]-3-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C41H61N5O9
+CH$EXACT_MASS: 767.4469285
+CH$SMILES: OC(C(NC(C(N(C(C(N1C(C(NC(CC2=CC=C(O)C=C2)C(O)=O)=O)CCC1)=O)C(CC)C)C)=O)CC3=CC=C(O)C=C3)=O)C(NC)CCCCCCC
+CH$IUPAC: InChI=1S/C41H61N5O9/c1-6-8-9-10-11-13-31(42-4)36(49)38(51)43-32(24-27-15-19-29(47)20-16-27)39(52)45(5)35(26(3)7-2)40(53)46-23-12-14-34(46)37(50)44-33(41(54)55)25-28-17-21-30(48)22-18-28/h15-22,26,31-36,42,47-49H,6-14,23-25H2,1-5H3,(H,43,51)(H,44,50)(H,54,55)
+CH$LINK: PUBCHEM CID:146683918
+CH$LINK: INCHIKEY IFMJJUPZIKGJIU-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-805
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.276 min
+MS$FOCUSED_ION: BASE_PEAK 132.9584
+MS$FOCUSED_ION: PRECURSOR_M/Z 768.4542
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0uec-0900000000-be82c5d1d832c3055707
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  100.1123 C6H14N+ 1 100.1121 2.08
+  142.1592 C9H20N+ 1 142.159 1.12
+  154.1594 C10H20N+ 1 154.159 2.28
+  182.1539 C11H20NO+ 1 182.1539 -0.24
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  100.1123 182816.7 717
+  142.1592 243936.5 957
+  154.1594 71924 282
+  182.1539 254405.8 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC085706.txt b/Eawag/MSBNK-EAWAG-EC085706.txt
new file mode 100644
index 0000000000..ec2fa973f2
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC085706.txt
@@ -0,0 +1,48 @@
+ACCESSION: MSBNK-EAWAG-EC085706
+RECORD_TITLE: Microginin 767 (and isomers); LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], A. Miglione [dtc], L. Tartaglione [dtc], F. Varriale [dtc], C. Dell'Aversano [dtc], S.K. Zervou [dtc], T. M. Triantis [dtc], T. Kaloudis [dtc], A. Hiskia [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.chemosphere.2022.137012
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 857
+CH$NAME: Microginin 767 (and isomers)
+CH$NAME: 2-[[1-[2-[[2-[[2-hydroxy-3-(methylamino)decanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]-methylamino]-3-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C41H61N5O9
+CH$EXACT_MASS: 767.4469285
+CH$SMILES: OC(C(NC(C(N(C(C(N1C(C(NC(CC2=CC=C(O)C=C2)C(O)=O)=O)CCC1)=O)C(CC)C)C)=O)CC3=CC=C(O)C=C3)=O)C(NC)CCCCCCC
+CH$IUPAC: InChI=1S/C41H61N5O9/c1-6-8-9-10-11-13-31(42-4)36(49)38(51)43-32(24-27-15-19-29(47)20-16-27)39(52)45(5)35(26(3)7-2)40(53)46-23-12-14-34(46)37(50)44-33(41(54)55)25-28-17-21-30(48)22-18-28/h15-22,26,31-36,42,47-49H,6-14,23-25H2,1-5H3,(H,43,51)(H,44,50)(H,54,55)
+CH$LINK: PUBCHEM CID:146683918
+CH$LINK: INCHIKEY IFMJJUPZIKGJIU-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-805
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.276 min
+MS$FOCUSED_ION: BASE_PEAK 132.9584
+MS$FOCUSED_ION: PRECURSOR_M/Z 768.4542
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0f6x-0900000000-42b424d55d3b3c9e6746
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  100.1122 C6H14N+ 1 100.1121 1.24
+  142.159 C9H20N+ 1 142.159 0.15
+  182.1539 C11H20NO+ 1 182.1539 -0.41
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  100.1122 184399.5 610
+  142.159 301731.6 999
+  182.1539 142865.7 473
+//
diff --git a/Eawag/MSBNK-EAWAG-EC085707.txt b/Eawag/MSBNK-EAWAG-EC085707.txt
new file mode 100644
index 0000000000..b3662b2788
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC085707.txt
@@ -0,0 +1,54 @@
+ACCESSION: MSBNK-EAWAG-EC085707
+RECORD_TITLE: Microginin 767 (and isomers); LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], A. Miglione [dtc], L. Tartaglione [dtc], F. Varriale [dtc], C. Dell'Aversano [dtc], S.K. Zervou [dtc], T. M. Triantis [dtc], T. Kaloudis [dtc], A. Hiskia [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.chemosphere.2022.137012
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 857
+CH$NAME: Microginin 767 (and isomers)
+CH$NAME: 2-[[1-[2-[[2-[[2-hydroxy-3-(methylamino)decanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]-methylamino]-3-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C41H61N5O9
+CH$EXACT_MASS: 767.4469285
+CH$SMILES: OC(C(NC(C(N(C(C(N1C(C(NC(CC2=CC=C(O)C=C2)C(O)=O)=O)CCC1)=O)C(CC)C)C)=O)CC3=CC=C(O)C=C3)=O)C(NC)CCCCCCC
+CH$IUPAC: InChI=1S/C41H61N5O9/c1-6-8-9-10-11-13-31(42-4)36(49)38(51)43-32(24-27-15-19-29(47)20-16-27)39(52)45(5)35(26(3)7-2)40(53)46-23-12-14-34(46)37(50)44-33(41(54)55)25-28-17-21-30(48)22-18-28/h15-22,26,31-36,42,47-49H,6-14,23-25H2,1-5H3,(H,43,51)(H,44,50)(H,54,55)
+CH$LINK: PUBCHEM CID:146683918
+CH$LINK: INCHIKEY IFMJJUPZIKGJIU-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-805
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.276 min
+MS$FOCUSED_ION: BASE_PEAK 132.9584
+MS$FOCUSED_ION: PRECURSOR_M/Z 768.4542
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0f6x-0900000000-95a81432783f77bcb85d
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  70.0655 C4H8N+ 1 70.0651 4.87
+  100.1122 C6H14N+ 1 100.1121 1.54
+  136.0756 C8H10NO+ 1 136.0757 -0.63
+  142.159 C9H20N+ 1 142.159 -0.06
+  154.159 C10H20N+ 1 154.159 -0.1
+  182.1535 C11H20NO+ 2 182.1539 -2.42
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  70.0655 28451 95
+  100.1122 162016.8 541
+  136.0756 35815.2 119
+  142.159 299069.4 999
+  154.159 41281.4 137
+  182.1535 54133 180
+//
diff --git a/Eawag/MSBNK-EAWAG-EC085708.txt b/Eawag/MSBNK-EAWAG-EC085708.txt
new file mode 100644
index 0000000000..a22d6d45cf
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC085708.txt
@@ -0,0 +1,52 @@
+ACCESSION: MSBNK-EAWAG-EC085708
+RECORD_TITLE: Microginin 767 (and isomers); LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], A. Miglione [dtc], L. Tartaglione [dtc], F. Varriale [dtc], C. Dell'Aversano [dtc], S.K. Zervou [dtc], T. M. Triantis [dtc], T. Kaloudis [dtc], A. Hiskia [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.chemosphere.2022.137012
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 857
+CH$NAME: Microginin 767 (and isomers)
+CH$NAME: 2-[[1-[2-[[2-[[2-hydroxy-3-(methylamino)decanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]-methylamino]-3-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C41H61N5O9
+CH$EXACT_MASS: 767.4469285
+CH$SMILES: OC(C(NC(C(N(C(C(N1C(C(NC(CC2=CC=C(O)C=C2)C(O)=O)=O)CCC1)=O)C(CC)C)C)=O)CC3=CC=C(O)C=C3)=O)C(NC)CCCCCCC
+CH$IUPAC: InChI=1S/C41H61N5O9/c1-6-8-9-10-11-13-31(42-4)36(49)38(51)43-32(24-27-15-19-29(47)20-16-27)39(52)45(5)35(26(3)7-2)40(53)46-23-12-14-34(46)37(50)44-33(41(54)55)25-28-17-21-30(48)22-18-28/h15-22,26,31-36,42,47-49H,6-14,23-25H2,1-5H3,(H,43,51)(H,44,50)(H,54,55)
+CH$LINK: PUBCHEM CID:146683918
+CH$LINK: INCHIKEY IFMJJUPZIKGJIU-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-805
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.276 min
+MS$FOCUSED_ION: BASE_PEAK 132.9584
+MS$FOCUSED_ION: PRECURSOR_M/Z 768.4542
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0f6x-1900000000-2167f2a56a1023aea27d
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  69.07 C5H9+ 1 69.0699 2.26
+  70.0653 C4H8N+ 1 70.0651 2.04
+  100.1122 C6H14N+ 1 100.1121 1.69
+  136.0759 C8H10NO+ 1 136.0757 1.84
+  142.159 C9H20N+ 1 142.159 -0.28
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  69.07 35009.8 153
+  70.0653 42269.6 184
+  100.1122 128274 561
+  136.0759 31325.1 137
+  142.159 228354.1 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC085709.txt b/Eawag/MSBNK-EAWAG-EC085709.txt
new file mode 100644
index 0000000000..3ad411bb81
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC085709.txt
@@ -0,0 +1,54 @@
+ACCESSION: MSBNK-EAWAG-EC085709
+RECORD_TITLE: Microginin 767 (and isomers); LC-ESI-QFT; MS2; CE: 80%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], A. Miglione [dtc], L. Tartaglione [dtc], F. Varriale [dtc], C. Dell'Aversano [dtc], S.K. Zervou [dtc], T. M. Triantis [dtc], T. Kaloudis [dtc], A. Hiskia [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.chemosphere.2022.137012
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 857
+CH$NAME: Microginin 767 (and isomers)
+CH$NAME: 2-[[1-[2-[[2-[[2-hydroxy-3-(methylamino)decanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]-methylamino]-3-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C41H61N5O9
+CH$EXACT_MASS: 767.4469285
+CH$SMILES: OC(C(NC(C(N(C(C(N1C(C(NC(CC2=CC=C(O)C=C2)C(O)=O)=O)CCC1)=O)C(CC)C)C)=O)CC3=CC=C(O)C=C3)=O)C(NC)CCCCCCC
+CH$IUPAC: InChI=1S/C41H61N5O9/c1-6-8-9-10-11-13-31(42-4)36(49)38(51)43-32(24-27-15-19-29(47)20-16-27)39(52)45(5)35(26(3)7-2)40(53)46-23-12-14-34(46)37(50)44-33(41(54)55)25-28-17-21-30(48)22-18-28/h15-22,26,31-36,42,47-49H,6-14,23-25H2,1-5H3,(H,43,51)(H,44,50)(H,54,55)
+CH$LINK: PUBCHEM CID:146683918
+CH$LINK: INCHIKEY IFMJJUPZIKGJIU-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-805
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.276 min
+MS$FOCUSED_ION: BASE_PEAK 132.9584
+MS$FOCUSED_ION: PRECURSOR_M/Z 768.4542
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0f6x-5900000000-56ddc6765343e8781f6b
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  55.0544 C4H7+ 1 55.0542 3.7
+  58.0653 C3H8N+ 1 58.0651 2.7
+  69.0699 C5H9+ 1 69.0699 0.49
+  70.0651 C4H8N+ 1 70.0651 0.08
+  100.1122 C6H14N+ 1 100.1121 1.54
+  142.159 C9H20N+ 1 142.159 0.05
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  55.0544 24754.2 165
+  58.0653 17753 118
+  69.0699 60166.5 401
+  70.0651 48649 324
+  100.1122 84786.3 565
+  142.159 149723.4 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC085801.txt b/Eawag/MSBNK-EAWAG-EC085801.txt
new file mode 100644
index 0000000000..95ebfd01d1
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC085801.txt
@@ -0,0 +1,50 @@
+ACCESSION: MSBNK-EAWAG-EC085801
+RECORD_TITLE: Microginin KR767 (and isomers); LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], A. Miglione [dtc], L. Tartaglione [dtc], F. Varriale [dtc], C. Dell'Aversano [dtc], S.K. Zervou [dtc], T. M. Triantis [dtc], T. Kaloudis [dtc], A. Hiskia [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.chemosphere.2022.137013
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 858
+CH$NAME: Microginin KR767 (and isomers)
+CH$NAME: (2R)-2-[[(2S)-1-[(2S)-2-[[(2R)-2-[[(2S,3S)-2-hydroxy-3-(methylamino)decanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]-methylamino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C41H61N5O9
+CH$EXACT_MASS: 767.4469285
+CH$SMILES: O[C@@H]([C@H](CCCCCCC)NC)C(N[C@H](CC1=CC=C(C=C1)O)C(N([C@@H](CC(C)C)C(N2[C@@H](CCC2)C(N[C@@H](C(O)=O)CC3=CC=C(C=C3)O)=O)=O)C)=O)=O
+CH$IUPAC: InChI=1S/C41H61N5O9/c1-6-7-8-9-10-12-31(42-4)36(49)38(51)43-32(24-27-14-18-29(47)19-15-27)39(52)45(5)35(23-26(2)3)40(53)46-22-11-13-34(46)37(50)44-33(41(54)55)25-28-16-20-30(48)21-17-28/h14-21,26,31-36,42,47-49H,6-13,22-25H2,1-5H3,(H,43,51)(H,44,50)(H,54,55)/t31-,32+,33+,34-,35-,36-/m0/s1
+CH$LINK: PUBCHEM CID:146683786
+CH$LINK: INCHIKEY PUNOWWCAVNLVNA-VBBYNRSSSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-805
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.276 min
+MS$FOCUSED_ION: BASE_PEAK 132.9584
+MS$FOCUSED_ION: PRECURSOR_M/Z 768.4542
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0006-0000900200-58d7cf4e3cc7851d6116
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  345.2181 C20H29N2O3+ 1 345.2173 2.54
+  349.1766 C18H25N2O5+ 1 349.1758 2.41
+  490.3289 C29H46O6+ 3 490.3289 -0.05
+  768.4573 C41H62N5O9+ 1 768.4542 4
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  345.2181 8753.8 18
+  349.1766 10753.9 23
+  490.3289 464063.9 999
+  768.4573 122128.4 262
+//
diff --git a/Eawag/MSBNK-EAWAG-EC085802.txt b/Eawag/MSBNK-EAWAG-EC085802.txt
new file mode 100644
index 0000000000..1568a361b7
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC085802.txt
@@ -0,0 +1,48 @@
+ACCESSION: MSBNK-EAWAG-EC085802
+RECORD_TITLE: Microginin KR767 (and isomers); LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], A. Miglione [dtc], L. Tartaglione [dtc], F. Varriale [dtc], C. Dell'Aversano [dtc], S.K. Zervou [dtc], T. M. Triantis [dtc], T. Kaloudis [dtc], A. Hiskia [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.chemosphere.2022.137013
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 858
+CH$NAME: Microginin KR767 (and isomers)
+CH$NAME: (2R)-2-[[(2S)-1-[(2S)-2-[[(2R)-2-[[(2S,3S)-2-hydroxy-3-(methylamino)decanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]-methylamino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C41H61N5O9
+CH$EXACT_MASS: 767.4469285
+CH$SMILES: O[C@@H]([C@H](CCCCCCC)NC)C(N[C@H](CC1=CC=C(C=C1)O)C(N([C@@H](CC(C)C)C(N2[C@@H](CCC2)C(N[C@@H](C(O)=O)CC3=CC=C(C=C3)O)=O)=O)C)=O)=O
+CH$IUPAC: InChI=1S/C41H61N5O9/c1-6-7-8-9-10-12-31(42-4)36(49)38(51)43-32(24-27-14-18-29(47)19-15-27)39(52)45(5)35(23-26(2)3)40(53)46-22-11-13-34(46)37(50)44-33(41(54)55)25-28-16-20-30(48)21-17-28/h14-21,26,31-36,42,47-49H,6-13,22-25H2,1-5H3,(H,43,51)(H,44,50)(H,54,55)/t31-,32+,33+,34-,35-,36-/m0/s1
+CH$LINK: PUBCHEM CID:146683786
+CH$LINK: INCHIKEY PUNOWWCAVNLVNA-VBBYNRSSSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-805
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.276 min
+MS$FOCUSED_ION: BASE_PEAK 132.9584
+MS$FOCUSED_ION: PRECURSOR_M/Z 768.4542
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0006-0002900000-0a69c60cc2a94d4b33a4
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  345.2182 C20H29N2O3+ 2 345.2173 2.81
+  349.1768 C18H25N2O5+ 2 349.1758 2.84
+  490.3291 C29H46O6+ 3 490.3289 0.38
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  345.2182 74169.5 133
+  349.1768 68628.8 123
+  490.3291 554559.7 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC085803.txt b/Eawag/MSBNK-EAWAG-EC085803.txt
new file mode 100644
index 0000000000..43d72314a8
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC085803.txt
@@ -0,0 +1,54 @@
+ACCESSION: MSBNK-EAWAG-EC085803
+RECORD_TITLE: Microginin KR767 (and isomers); LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], A. Miglione [dtc], L. Tartaglione [dtc], F. Varriale [dtc], C. Dell'Aversano [dtc], S.K. Zervou [dtc], T. M. Triantis [dtc], T. Kaloudis [dtc], A. Hiskia [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.chemosphere.2022.137013
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 858
+CH$NAME: Microginin KR767 (and isomers)
+CH$NAME: (2R)-2-[[(2S)-1-[(2S)-2-[[(2R)-2-[[(2S,3S)-2-hydroxy-3-(methylamino)decanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]-methylamino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C41H61N5O9
+CH$EXACT_MASS: 767.4469285
+CH$SMILES: O[C@@H]([C@H](CCCCCCC)NC)C(N[C@H](CC1=CC=C(C=C1)O)C(N([C@@H](CC(C)C)C(N2[C@@H](CCC2)C(N[C@@H](C(O)=O)CC3=CC=C(C=C3)O)=O)=O)C)=O)=O
+CH$IUPAC: InChI=1S/C41H61N5O9/c1-6-7-8-9-10-12-31(42-4)36(49)38(51)43-32(24-27-14-18-29(47)19-15-27)39(52)45(5)35(23-26(2)3)40(53)46-22-11-13-34(46)37(50)44-33(41(54)55)25-28-16-20-30(48)21-17-28/h14-21,26,31-36,42,47-49H,6-13,22-25H2,1-5H3,(H,43,51)(H,44,50)(H,54,55)/t31-,32+,33+,34-,35-,36-/m0/s1
+CH$LINK: PUBCHEM CID:146683786
+CH$LINK: INCHIKEY PUNOWWCAVNLVNA-VBBYNRSSSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-805
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.276 min
+MS$FOCUSED_ION: BASE_PEAK 132.9584
+MS$FOCUSED_ION: PRECURSOR_M/Z 768.4542
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0007-0808900000-c989ab5e5b8fa4637ee9
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  100.1123 C6H14N+ 1 100.1121 1.77
+  142.1594 C9H20N+ 1 142.159 2.3
+  182.154 C11H20NO+ 1 182.1539 0.43
+  345.2176 C20H29N2O3+ 2 345.2173 0.86
+  349.1761 C18H25N2O5+ 2 349.1758 0.92
+  490.329 C29H46O6+ 3 490.3289 0.2
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  100.1123 49014.3 172
+  142.1594 64107.4 225
+  182.154 157053.4 553
+  345.2176 167153 588
+  349.1761 102545.2 361
+  490.329 283556.4 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC085804.txt b/Eawag/MSBNK-EAWAG-EC085804.txt
new file mode 100644
index 0000000000..f8eea6aeeb
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC085804.txt
@@ -0,0 +1,54 @@
+ACCESSION: MSBNK-EAWAG-EC085804
+RECORD_TITLE: Microginin KR767 (and isomers); LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], A. Miglione [dtc], L. Tartaglione [dtc], F. Varriale [dtc], C. Dell'Aversano [dtc], S.K. Zervou [dtc], T. M. Triantis [dtc], T. Kaloudis [dtc], A. Hiskia [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.chemosphere.2022.137013
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 858
+CH$NAME: Microginin KR767 (and isomers)
+CH$NAME: (2R)-2-[[(2S)-1-[(2S)-2-[[(2R)-2-[[(2S,3S)-2-hydroxy-3-(methylamino)decanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]-methylamino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C41H61N5O9
+CH$EXACT_MASS: 767.4469285
+CH$SMILES: O[C@@H]([C@H](CCCCCCC)NC)C(N[C@H](CC1=CC=C(C=C1)O)C(N([C@@H](CC(C)C)C(N2[C@@H](CCC2)C(N[C@@H](C(O)=O)CC3=CC=C(C=C3)O)=O)=O)C)=O)=O
+CH$IUPAC: InChI=1S/C41H61N5O9/c1-6-7-8-9-10-12-31(42-4)36(49)38(51)43-32(24-27-14-18-29(47)19-15-27)39(52)45(5)35(23-26(2)3)40(53)46-22-11-13-34(46)37(50)44-33(41(54)55)25-28-16-20-30(48)21-17-28/h14-21,26,31-36,42,47-49H,6-13,22-25H2,1-5H3,(H,43,51)(H,44,50)(H,54,55)/t31-,32+,33+,34-,35-,36-/m0/s1
+CH$LINK: PUBCHEM CID:146683786
+CH$LINK: INCHIKEY PUNOWWCAVNLVNA-VBBYNRSSSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-805
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.276 min
+MS$FOCUSED_ION: BASE_PEAK 132.9584
+MS$FOCUSED_ION: PRECURSOR_M/Z 768.4542
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0f8d-0903000000-f2c64c7038887044c7f6
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  100.1122 C6H14N+ 1 100.1121 1.69
+  142.1589 C9H20N+ 1 142.159 -0.6
+  154.159 C10H20N+ 1 154.159 -0.19
+  182.154 C11H20NO+ 1 182.1539 0.26
+  345.2177 C20H29N2O3+ 1 345.2173 1.39
+  349.1758 C18H25N2O5+ 2 349.1758 -0.13
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  100.1122 115269.4 463
+  142.1589 134026 538
+  154.159 54048.8 217
+  182.154 248712.4 999
+  345.2177 110731 444
+  349.1758 76167.4 305
+//
diff --git a/Eawag/MSBNK-EAWAG-EC085805.txt b/Eawag/MSBNK-EAWAG-EC085805.txt
new file mode 100644
index 0000000000..719149d875
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC085805.txt
@@ -0,0 +1,50 @@
+ACCESSION: MSBNK-EAWAG-EC085805
+RECORD_TITLE: Microginin KR767 (and isomers); LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], A. Miglione [dtc], L. Tartaglione [dtc], F. Varriale [dtc], C. Dell'Aversano [dtc], S.K. Zervou [dtc], T. M. Triantis [dtc], T. Kaloudis [dtc], A. Hiskia [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.chemosphere.2022.137013
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 858
+CH$NAME: Microginin KR767 (and isomers)
+CH$NAME: (2R)-2-[[(2S)-1-[(2S)-2-[[(2R)-2-[[(2S,3S)-2-hydroxy-3-(methylamino)decanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]-methylamino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C41H61N5O9
+CH$EXACT_MASS: 767.4469285
+CH$SMILES: O[C@@H]([C@H](CCCCCCC)NC)C(N[C@H](CC1=CC=C(C=C1)O)C(N([C@@H](CC(C)C)C(N2[C@@H](CCC2)C(N[C@@H](C(O)=O)CC3=CC=C(C=C3)O)=O)=O)C)=O)=O
+CH$IUPAC: InChI=1S/C41H61N5O9/c1-6-7-8-9-10-12-31(42-4)36(49)38(51)43-32(24-27-14-18-29(47)19-15-27)39(52)45(5)35(23-26(2)3)40(53)46-22-11-13-34(46)37(50)44-33(41(54)55)25-28-16-20-30(48)21-17-28/h14-21,26,31-36,42,47-49H,6-13,22-25H2,1-5H3,(H,43,51)(H,44,50)(H,54,55)/t31-,32+,33+,34-,35-,36-/m0/s1
+CH$LINK: PUBCHEM CID:146683786
+CH$LINK: INCHIKEY PUNOWWCAVNLVNA-VBBYNRSSSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-805
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.276 min
+MS$FOCUSED_ION: BASE_PEAK 132.9584
+MS$FOCUSED_ION: PRECURSOR_M/Z 768.4542
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0uec-0900000000-be82c5d1d832c3055707
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  100.1123 C6H14N+ 1 100.1121 2.08
+  142.1592 C9H20N+ 1 142.159 1.12
+  154.1594 C10H20N+ 1 154.159 2.28
+  182.1539 C11H20NO+ 1 182.1539 -0.24
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  100.1123 182816.7 717
+  142.1592 243936.5 957
+  154.1594 71924 282
+  182.1539 254405.8 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC085806.txt b/Eawag/MSBNK-EAWAG-EC085806.txt
new file mode 100644
index 0000000000..5436815252
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC085806.txt
@@ -0,0 +1,48 @@
+ACCESSION: MSBNK-EAWAG-EC085806
+RECORD_TITLE: Microginin KR767 (and isomers); LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], A. Miglione [dtc], L. Tartaglione [dtc], F. Varriale [dtc], C. Dell'Aversano [dtc], S.K. Zervou [dtc], T. M. Triantis [dtc], T. Kaloudis [dtc], A. Hiskia [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.chemosphere.2022.137013
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 858
+CH$NAME: Microginin KR767 (and isomers)
+CH$NAME: (2R)-2-[[(2S)-1-[(2S)-2-[[(2R)-2-[[(2S,3S)-2-hydroxy-3-(methylamino)decanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]-methylamino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C41H61N5O9
+CH$EXACT_MASS: 767.4469285
+CH$SMILES: O[C@@H]([C@H](CCCCCCC)NC)C(N[C@H](CC1=CC=C(C=C1)O)C(N([C@@H](CC(C)C)C(N2[C@@H](CCC2)C(N[C@@H](C(O)=O)CC3=CC=C(C=C3)O)=O)=O)C)=O)=O
+CH$IUPAC: InChI=1S/C41H61N5O9/c1-6-7-8-9-10-12-31(42-4)36(49)38(51)43-32(24-27-14-18-29(47)19-15-27)39(52)45(5)35(23-26(2)3)40(53)46-22-11-13-34(46)37(50)44-33(41(54)55)25-28-16-20-30(48)21-17-28/h14-21,26,31-36,42,47-49H,6-13,22-25H2,1-5H3,(H,43,51)(H,44,50)(H,54,55)/t31-,32+,33+,34-,35-,36-/m0/s1
+CH$LINK: PUBCHEM CID:146683786
+CH$LINK: INCHIKEY PUNOWWCAVNLVNA-VBBYNRSSSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-805
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.276 min
+MS$FOCUSED_ION: BASE_PEAK 132.9584
+MS$FOCUSED_ION: PRECURSOR_M/Z 768.4542
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0f6x-0900000000-42b424d55d3b3c9e6746
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  100.1122 C6H14N+ 1 100.1121 1.24
+  142.159 C9H20N+ 1 142.159 0.15
+  182.1539 C11H20NO+ 1 182.1539 -0.41
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  100.1122 184399.5 610
+  142.159 301731.6 999
+  182.1539 142865.7 473
+//
diff --git a/Eawag/MSBNK-EAWAG-EC085807.txt b/Eawag/MSBNK-EAWAG-EC085807.txt
new file mode 100644
index 0000000000..9f82d97c4c
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC085807.txt
@@ -0,0 +1,54 @@
+ACCESSION: MSBNK-EAWAG-EC085807
+RECORD_TITLE: Microginin KR767 (and isomers); LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], A. Miglione [dtc], L. Tartaglione [dtc], F. Varriale [dtc], C. Dell'Aversano [dtc], S.K. Zervou [dtc], T. M. Triantis [dtc], T. Kaloudis [dtc], A. Hiskia [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.chemosphere.2022.137013
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 858
+CH$NAME: Microginin KR767 (and isomers)
+CH$NAME: (2R)-2-[[(2S)-1-[(2S)-2-[[(2R)-2-[[(2S,3S)-2-hydroxy-3-(methylamino)decanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]-methylamino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C41H61N5O9
+CH$EXACT_MASS: 767.4469285
+CH$SMILES: O[C@@H]([C@H](CCCCCCC)NC)C(N[C@H](CC1=CC=C(C=C1)O)C(N([C@@H](CC(C)C)C(N2[C@@H](CCC2)C(N[C@@H](C(O)=O)CC3=CC=C(C=C3)O)=O)=O)C)=O)=O
+CH$IUPAC: InChI=1S/C41H61N5O9/c1-6-7-8-9-10-12-31(42-4)36(49)38(51)43-32(24-27-14-18-29(47)19-15-27)39(52)45(5)35(23-26(2)3)40(53)46-22-11-13-34(46)37(50)44-33(41(54)55)25-28-16-20-30(48)21-17-28/h14-21,26,31-36,42,47-49H,6-13,22-25H2,1-5H3,(H,43,51)(H,44,50)(H,54,55)/t31-,32+,33+,34-,35-,36-/m0/s1
+CH$LINK: PUBCHEM CID:146683786
+CH$LINK: INCHIKEY PUNOWWCAVNLVNA-VBBYNRSSSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-805
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.276 min
+MS$FOCUSED_ION: BASE_PEAK 132.9584
+MS$FOCUSED_ION: PRECURSOR_M/Z 768.4542
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0f6x-0900000000-95a81432783f77bcb85d
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  70.0655 C4H8N+ 1 70.0651 4.87
+  100.1122 C6H14N+ 1 100.1121 1.54
+  136.0756 C8H10NO+ 1 136.0757 -0.63
+  142.159 C9H20N+ 1 142.159 -0.06
+  154.159 C10H20N+ 1 154.159 -0.1
+  182.1535 C11H20NO+ 2 182.1539 -2.42
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  70.0655 28451 95
+  100.1122 162016.8 541
+  136.0756 35815.2 119
+  142.159 299069.4 999
+  154.159 41281.4 137
+  182.1535 54133 180
+//
diff --git a/Eawag/MSBNK-EAWAG-EC085808.txt b/Eawag/MSBNK-EAWAG-EC085808.txt
new file mode 100644
index 0000000000..ff82d63e88
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC085808.txt
@@ -0,0 +1,52 @@
+ACCESSION: MSBNK-EAWAG-EC085808
+RECORD_TITLE: Microginin KR767 (and isomers); LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], A. Miglione [dtc], L. Tartaglione [dtc], F. Varriale [dtc], C. Dell'Aversano [dtc], S.K. Zervou [dtc], T. M. Triantis [dtc], T. Kaloudis [dtc], A. Hiskia [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.chemosphere.2022.137013
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 858
+CH$NAME: Microginin KR767 (and isomers)
+CH$NAME: (2R)-2-[[(2S)-1-[(2S)-2-[[(2R)-2-[[(2S,3S)-2-hydroxy-3-(methylamino)decanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]-methylamino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C41H61N5O9
+CH$EXACT_MASS: 767.4469285
+CH$SMILES: O[C@@H]([C@H](CCCCCCC)NC)C(N[C@H](CC1=CC=C(C=C1)O)C(N([C@@H](CC(C)C)C(N2[C@@H](CCC2)C(N[C@@H](C(O)=O)CC3=CC=C(C=C3)O)=O)=O)C)=O)=O
+CH$IUPAC: InChI=1S/C41H61N5O9/c1-6-7-8-9-10-12-31(42-4)36(49)38(51)43-32(24-27-14-18-29(47)19-15-27)39(52)45(5)35(23-26(2)3)40(53)46-22-11-13-34(46)37(50)44-33(41(54)55)25-28-16-20-30(48)21-17-28/h14-21,26,31-36,42,47-49H,6-13,22-25H2,1-5H3,(H,43,51)(H,44,50)(H,54,55)/t31-,32+,33+,34-,35-,36-/m0/s1
+CH$LINK: PUBCHEM CID:146683786
+CH$LINK: INCHIKEY PUNOWWCAVNLVNA-VBBYNRSSSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-805
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.276 min
+MS$FOCUSED_ION: BASE_PEAK 132.9584
+MS$FOCUSED_ION: PRECURSOR_M/Z 768.4542
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0f6x-1900000000-2167f2a56a1023aea27d
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  69.07 C5H9+ 1 69.0699 2.26
+  70.0653 C4H8N+ 1 70.0651 2.04
+  100.1122 C6H14N+ 1 100.1121 1.69
+  136.0759 C8H10NO+ 1 136.0757 1.84
+  142.159 C9H20N+ 1 142.159 -0.28
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  69.07 35009.8 153
+  70.0653 42269.6 184
+  100.1122 128274 561
+  136.0759 31325.1 137
+  142.159 228354.1 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC085809.txt b/Eawag/MSBNK-EAWAG-EC085809.txt
new file mode 100644
index 0000000000..f36658230e
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC085809.txt
@@ -0,0 +1,54 @@
+ACCESSION: MSBNK-EAWAG-EC085809
+RECORD_TITLE: Microginin KR767 (and isomers); LC-ESI-QFT; MS2; CE: 80%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], A. Miglione [dtc], L. Tartaglione [dtc], F. Varriale [dtc], C. Dell'Aversano [dtc], S.K. Zervou [dtc], T. M. Triantis [dtc], T. Kaloudis [dtc], A. Hiskia [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.chemosphere.2022.137013
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 858
+CH$NAME: Microginin KR767 (and isomers)
+CH$NAME: (2R)-2-[[(2S)-1-[(2S)-2-[[(2R)-2-[[(2S,3S)-2-hydroxy-3-(methylamino)decanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]-methylamino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C41H61N5O9
+CH$EXACT_MASS: 767.4469285
+CH$SMILES: O[C@@H]([C@H](CCCCCCC)NC)C(N[C@H](CC1=CC=C(C=C1)O)C(N([C@@H](CC(C)C)C(N2[C@@H](CCC2)C(N[C@@H](C(O)=O)CC3=CC=C(C=C3)O)=O)=O)C)=O)=O
+CH$IUPAC: InChI=1S/C41H61N5O9/c1-6-7-8-9-10-12-31(42-4)36(49)38(51)43-32(24-27-14-18-29(47)19-15-27)39(52)45(5)35(23-26(2)3)40(53)46-22-11-13-34(46)37(50)44-33(41(54)55)25-28-16-20-30(48)21-17-28/h14-21,26,31-36,42,47-49H,6-13,22-25H2,1-5H3,(H,43,51)(H,44,50)(H,54,55)/t31-,32+,33+,34-,35-,36-/m0/s1
+CH$LINK: PUBCHEM CID:146683786
+CH$LINK: INCHIKEY PUNOWWCAVNLVNA-VBBYNRSSSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-805
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.276 min
+MS$FOCUSED_ION: BASE_PEAK 132.9584
+MS$FOCUSED_ION: PRECURSOR_M/Z 768.4542
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0f6x-5900000000-56ddc6765343e8781f6b
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  55.0544 C4H7+ 1 55.0542 3.7
+  58.0653 C3H8N+ 1 58.0651 2.7
+  69.0699 C5H9+ 1 69.0699 0.49
+  70.0651 C4H8N+ 1 70.0651 0.08
+  100.1122 C6H14N+ 1 100.1121 1.54
+  142.159 C9H20N+ 1 142.159 0.05
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  55.0544 24754.2 165
+  58.0653 17753 118
+  69.0699 60166.5 401
+  70.0651 48649 324
+  100.1122 84786.3 565
+  142.159 149723.4 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC086101.txt b/Eawag/MSBNK-EAWAG-EC086101.txt
new file mode 100644
index 0000000000..de3aba4f1d
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC086101.txt
@@ -0,0 +1,49 @@
+ACCESSION: MSBNK-EAWAG-EC086101
+RECORD_TITLE: Nodularin-R; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], K. Thomas [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.4224/crm.2013.nodr.20070214
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 861
+CH$NAME: Nodularin-R
+CH$NAME: Nodularin R
+CH$NAME: (2Z,5R,6S,9S,12S,13S,16R)-9-[3-(diaminomethylideneamino)propyl]-2-ethylidene-12-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,6,13-trimethyl-3,7,10,14,19-pentaoxo-1,4,8,11,15-pentazacyclononadecane-5,16-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C41H60N8O10
+CH$EXACT_MASS: 824.4432401
+CH$SMILES: C/C=C\1/C(=O)N[C@H]([C@@H](C(=O)N[C@H](C(=O)N[C@H]([C@@H](C(=O)N[C@H](CCC(=O)N1C)C(=O)O)C)/C=C/C(=C/[C@H](C)[C@H](CC2=CC=CC=C2)OC)/C)CCCN=C(N)N)C)C(=O)O
+CH$IUPAC: InChI=1S/C41H60N8O10/c1-8-31-38(54)48-34(40(57)58)26(5)36(52)46-29(15-12-20-44-41(42)43)37(53)45-28(25(4)35(51)47-30(39(55)56)18-19-33(50)49(31)6)17-16-23(2)21-24(3)32(59-7)22-27-13-10-9-11-14-27/h8-11,13-14,16-17,21,24-26,28-30,32,34H,12,15,18-20,22H2,1-7H3,(H,45,53)(H,46,52)(H,47,51)(H,48,54)(H,55,56)(H,57,58)(H4,42,43,44)/b17-16+,23-21+,31-8-/t24-,25-,26-,28-,29-,30+,32-,34+/m0/s1
+CH$LINK: CAS 118399-22-7
+CH$LINK: CHEBI 80043
+CH$LINK: KEGG C15713
+CH$LINK: PUBCHEM CID:14217092
+CH$LINK: INCHIKEY IXBQSRWSVIBXNC-HSKGSTCASA-N
+CH$LINK: CHEMSPIDER 10471625
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-863
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 14.504 min
+MS$FOCUSED_ION: BASE_PEAK 825.4481
+MS$FOCUSED_ION: PRECURSOR_M/Z 825.4505
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-004i-0000000090-481ac535ec495f4e65f0
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  825.449 C41H61N8O10+ 1 825.4505 -1.79
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  825.449 47949620 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC086102.txt b/Eawag/MSBNK-EAWAG-EC086102.txt
new file mode 100644
index 0000000000..7b2b343b1a
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC086102.txt
@@ -0,0 +1,49 @@
+ACCESSION: MSBNK-EAWAG-EC086102
+RECORD_TITLE: Nodularin-R; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], K. Thomas [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.4224/crm.2013.nodr.20070214
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 861
+CH$NAME: Nodularin-R
+CH$NAME: Nodularin R
+CH$NAME: (2Z,5R,6S,9S,12S,13S,16R)-9-[3-(diaminomethylideneamino)propyl]-2-ethylidene-12-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,6,13-trimethyl-3,7,10,14,19-pentaoxo-1,4,8,11,15-pentazacyclononadecane-5,16-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C41H60N8O10
+CH$EXACT_MASS: 824.4432401
+CH$SMILES: C/C=C\1/C(=O)N[C@H]([C@@H](C(=O)N[C@H](C(=O)N[C@H]([C@@H](C(=O)N[C@H](CCC(=O)N1C)C(=O)O)C)/C=C/C(=C/[C@H](C)[C@H](CC2=CC=CC=C2)OC)/C)CCCN=C(N)N)C)C(=O)O
+CH$IUPAC: InChI=1S/C41H60N8O10/c1-8-31-38(54)48-34(40(57)58)26(5)36(52)46-29(15-12-20-44-41(42)43)37(53)45-28(25(4)35(51)47-30(39(55)56)18-19-33(50)49(31)6)17-16-23(2)21-24(3)32(59-7)22-27-13-10-9-11-14-27/h8-11,13-14,16-17,21,24-26,28-30,32,34H,12,15,18-20,22H2,1-7H3,(H,45,53)(H,46,52)(H,47,51)(H,48,54)(H,55,56)(H,57,58)(H4,42,43,44)/b17-16+,23-21+,31-8-/t24-,25-,26-,28-,29-,30+,32-,34+/m0/s1
+CH$LINK: CAS 118399-22-7
+CH$LINK: CHEBI 80043
+CH$LINK: KEGG C15713
+CH$LINK: PUBCHEM CID:14217092
+CH$LINK: INCHIKEY IXBQSRWSVIBXNC-HSKGSTCASA-N
+CH$LINK: CHEMSPIDER 10471625
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-863
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 14.504 min
+MS$FOCUSED_ION: BASE_PEAK 825.4481
+MS$FOCUSED_ION: PRECURSOR_M/Z 825.4505
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-004i-0000000090-3f9c465e8d59b15f6d6e
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  825.4487 C41H61N8O10+ 1 825.4505 -2.24
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  825.4487 36222516 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC086103.txt b/Eawag/MSBNK-EAWAG-EC086103.txt
new file mode 100644
index 0000000000..f32a0197fd
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC086103.txt
@@ -0,0 +1,53 @@
+ACCESSION: MSBNK-EAWAG-EC086103
+RECORD_TITLE: Nodularin-R; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], K. Thomas [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.4224/crm.2013.nodr.20070214
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 861
+CH$NAME: Nodularin-R
+CH$NAME: Nodularin R
+CH$NAME: (2Z,5R,6S,9S,12S,13S,16R)-9-[3-(diaminomethylideneamino)propyl]-2-ethylidene-12-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,6,13-trimethyl-3,7,10,14,19-pentaoxo-1,4,8,11,15-pentazacyclononadecane-5,16-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C41H60N8O10
+CH$EXACT_MASS: 824.4432401
+CH$SMILES: C/C=C\1/C(=O)N[C@H]([C@@H](C(=O)N[C@H](C(=O)N[C@H]([C@@H](C(=O)N[C@H](CCC(=O)N1C)C(=O)O)C)/C=C/C(=C/[C@H](C)[C@H](CC2=CC=CC=C2)OC)/C)CCCN=C(N)N)C)C(=O)O
+CH$IUPAC: InChI=1S/C41H60N8O10/c1-8-31-38(54)48-34(40(57)58)26(5)36(52)46-29(15-12-20-44-41(42)43)37(53)45-28(25(4)35(51)47-30(39(55)56)18-19-33(50)49(31)6)17-16-23(2)21-24(3)32(59-7)22-27-13-10-9-11-14-27/h8-11,13-14,16-17,21,24-26,28-30,32,34H,12,15,18-20,22H2,1-7H3,(H,45,53)(H,46,52)(H,47,51)(H,48,54)(H,55,56)(H,57,58)(H4,42,43,44)/b17-16+,23-21+,31-8-/t24-,25-,26-,28-,29-,30+,32-,34+/m0/s1
+CH$LINK: CAS 118399-22-7
+CH$LINK: CHEBI 80043
+CH$LINK: KEGG C15713
+CH$LINK: PUBCHEM CID:14217092
+CH$LINK: INCHIKEY IXBQSRWSVIBXNC-HSKGSTCASA-N
+CH$LINK: CHEMSPIDER 10471625
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-863
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 14.504 min
+MS$FOCUSED_ION: BASE_PEAK 825.4481
+MS$FOCUSED_ION: PRECURSOR_M/Z 825.4505
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-004i-0000000090-257d58e6a6f7e977f10d
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  174.1344 C5H20NO5+ 3 174.1336 4.8
+  674.3514 C32H48N7O9+ 3 674.3508 0.88
+  825.449 C41H61N8O10+ 1 825.4505 -1.79
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  174.1344 297767 11
+  674.3514 556735.4 22
+  825.449 25191046 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC086104.txt b/Eawag/MSBNK-EAWAG-EC086104.txt
new file mode 100644
index 0000000000..31850bbf80
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC086104.txt
@@ -0,0 +1,73 @@
+ACCESSION: MSBNK-EAWAG-EC086104
+RECORD_TITLE: Nodularin-R; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], K. Thomas [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.4224/crm.2013.nodr.20070214
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 861
+CH$NAME: Nodularin-R
+CH$NAME: Nodularin R
+CH$NAME: (2Z,5R,6S,9S,12S,13S,16R)-9-[3-(diaminomethylideneamino)propyl]-2-ethylidene-12-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,6,13-trimethyl-3,7,10,14,19-pentaoxo-1,4,8,11,15-pentazacyclononadecane-5,16-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C41H60N8O10
+CH$EXACT_MASS: 824.4432401
+CH$SMILES: C/C=C\1/C(=O)N[C@H]([C@@H](C(=O)N[C@H](C(=O)N[C@H]([C@@H](C(=O)N[C@H](CCC(=O)N1C)C(=O)O)C)/C=C/C(=C/[C@H](C)[C@H](CC2=CC=CC=C2)OC)/C)CCCN=C(N)N)C)C(=O)O
+CH$IUPAC: InChI=1S/C41H60N8O10/c1-8-31-38(54)48-34(40(57)58)26(5)36(52)46-29(15-12-20-44-41(42)43)37(53)45-28(25(4)35(51)47-30(39(55)56)18-19-33(50)49(31)6)17-16-23(2)21-24(3)32(59-7)22-27-13-10-9-11-14-27/h8-11,13-14,16-17,21,24-26,28-30,32,34H,12,15,18-20,22H2,1-7H3,(H,45,53)(H,46,52)(H,47,51)(H,48,54)(H,55,56)(H,57,58)(H4,42,43,44)/b17-16+,23-21+,31-8-/t24-,25-,26-,28-,29-,30+,32-,34+/m0/s1
+CH$LINK: CAS 118399-22-7
+CH$LINK: CHEBI 80043
+CH$LINK: KEGG C15713
+CH$LINK: PUBCHEM CID:14217092
+CH$LINK: INCHIKEY IXBQSRWSVIBXNC-HSKGSTCASA-N
+CH$LINK: CHEMSPIDER 10471625
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-863
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 14.504 min
+MS$FOCUSED_ION: BASE_PEAK 825.4481
+MS$FOCUSED_ION: PRECURSOR_M/Z 825.4505
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-004i-0513000090-7def98182cdff068dbd5
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  70.065 C4H8N+ 1 70.0651 -2.14
+  107.0853 C8H11+ 1 107.0855 -1.9
+  112.0865 C5H10N3+ 1 112.0869 -3.51
+  135.08 C9H11O+ 1 135.0804 -2.97
+  135.1163 C10H15+ 1 135.1168 -3.6
+  163.1111 C9H13N3+ 2 163.1104 4.11
+  174.1343 C5H20NO5+ 3 174.1336 4.01
+  209.0908 C8H11N5O2+ 1 209.0907 0.37
+  227.1019 C8H13N5O3+ 2 227.1013 2.61
+  265.158 C3H21N8O6+ 4 265.1579 0.52
+  383.2034 C15H31N2O9+ 3 383.2024 2.6
+  389.2059 C19H27N5O4+ 4 389.2058 0.35
+  825.4492 C41H61N8O10+ 1 825.4505 -1.57
+PK$NUM_PEAK: 13
+PK$PEAK: m/z int. rel.int.
+  70.065 748815.1 81
+  107.0853 407811.8 44
+  112.0865 342583.2 37
+  135.08 2007831.8 217
+  135.1163 380998.7 41
+  163.1111 1360622.2 147
+  174.1343 1287807.5 139
+  209.0908 326380.4 35
+  227.1019 1028803.5 111
+  265.158 321759.7 34
+  383.2034 928133.8 100
+  389.2059 2941638.8 319
+  825.4492 9206555 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC086105.txt b/Eawag/MSBNK-EAWAG-EC086105.txt
new file mode 100644
index 0000000000..10033a4de8
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC086105.txt
@@ -0,0 +1,125 @@
+ACCESSION: MSBNK-EAWAG-EC086105
+RECORD_TITLE: Nodularin-R; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], K. Thomas [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.4224/crm.2013.nodr.20070214
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 861
+CH$NAME: Nodularin-R
+CH$NAME: Nodularin R
+CH$NAME: (2Z,5R,6S,9S,12S,13S,16R)-9-[3-(diaminomethylideneamino)propyl]-2-ethylidene-12-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,6,13-trimethyl-3,7,10,14,19-pentaoxo-1,4,8,11,15-pentazacyclononadecane-5,16-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C41H60N8O10
+CH$EXACT_MASS: 824.4432401
+CH$SMILES: C/C=C\1/C(=O)N[C@H]([C@@H](C(=O)N[C@H](C(=O)N[C@H]([C@@H](C(=O)N[C@H](CCC(=O)N1C)C(=O)O)C)/C=C/C(=C/[C@H](C)[C@H](CC2=CC=CC=C2)OC)/C)CCCN=C(N)N)C)C(=O)O
+CH$IUPAC: InChI=1S/C41H60N8O10/c1-8-31-38(54)48-34(40(57)58)26(5)36(52)46-29(15-12-20-44-41(42)43)37(53)45-28(25(4)35(51)47-30(39(55)56)18-19-33(50)49(31)6)17-16-23(2)21-24(3)32(59-7)22-27-13-10-9-11-14-27/h8-11,13-14,16-17,21,24-26,28-30,32,34H,12,15,18-20,22H2,1-7H3,(H,45,53)(H,46,52)(H,47,51)(H,48,54)(H,55,56)(H,57,58)(H4,42,43,44)/b17-16+,23-21+,31-8-/t24-,25-,26-,28-,29-,30+,32-,34+/m0/s1
+CH$LINK: CAS 118399-22-7
+CH$LINK: CHEBI 80043
+CH$LINK: KEGG C15713
+CH$LINK: PUBCHEM CID:14217092
+CH$LINK: INCHIKEY IXBQSRWSVIBXNC-HSKGSTCASA-N
+CH$LINK: CHEMSPIDER 10471625
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-863
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 14.504 min
+MS$FOCUSED_ION: BASE_PEAK 825.4481
+MS$FOCUSED_ION: PRECURSOR_M/Z 825.4505
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0079-1920000000-b006fc97e5f867f6d5e8
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  60.0556 CH6N3+ 1 60.0556 0.37
+  70.065 C4H8N+ 1 70.0651 -1.92
+  105.0699 C8H9+ 1 105.0699 0.14
+  107.0853 C8H11+ 1 107.0855 -1.9
+  112.0867 C5H10N3+ 1 112.0869 -2.22
+  113.0705 C5H9N2O+ 1 113.0709 -4.1
+  114.1026 C5H12N3+ 1 114.1026 -0.16
+  115.0862 C5H11N2O+ 1 115.0866 -3.29
+  116.0701 C5H10NO2+ 1 116.0706 -4.01
+  117.07 C9H9+ 1 117.0699 1.11
+  120.0805 C8H10N+ 1 120.0808 -2.38
+  125.0711 C6H9N2O+ 1 125.0709 1.22
+  131.0854 C10H11+ 1 131.0855 -0.95
+  135.0801 C9H11O+ 1 135.0804 -2.86
+  135.1163 C10H15+ 1 135.1168 -3.72
+  140.0816 C6H10N3O+ 1 140.0818 -1.77
+  152.0699 C8H10NO2+ 2 152.0706 -4.56
+  156.1236 C5H18NO4+ 1 156.123 3.34
+  157.1077 C5H17O5+ 3 157.1071 4.19
+  163.1109 C9H13N3+ 2 163.1104 3.27
+  174.134 C5H20NO5+ 2 174.1336 2.52
+  181.0963 C7H11N5O+ 2 181.0958 2.63
+  183.1124 C9H15N2O2+ 1 183.1128 -2.13
+  198.1229 C7H14N6O+ 2 198.1224 2.79
+  199.1068 C7H13N5O2+ 2 199.1064 2.17
+  200.1133 C6H18NO6+ 3 200.1129 1.95
+  208.1068 C8H12N6O+ 1 208.1067 0.65
+  209.0906 C8H11N5O2+ 1 209.0907 -0.58
+  226.117 C8H14N6O2+ 2 226.1173 -1.1
+  227.1015 C8H13N5O3+ 1 227.1013 0.73
+  244.1287 C10H18N3O4+ 2 244.1292 -2.07
+  253.0808 C9H11N5O4+ 2 253.0806 1.08
+  265.1583 C3H21N8O6+ 4 265.1579 1.56
+  282.1854 C19H24NO+ 2 282.1852 0.51
+  283.128 C11H17N5O4+ 2 283.1275 1.92
+  285.1657 C10H25N2O7+ 3 285.1656 0.1
+  303.178 C11H23N6O4+ 2 303.1775 1.58
+  366.1765 C15H28NO9+ 3 366.1759 1.81
+  389.2064 C19H27N5O4+ 4 389.2058 1.53
+PK$NUM_PEAK: 39
+PK$PEAK: m/z int. rel.int.
+  60.0556 305859.1 25
+  70.065 6964268.5 586
+  105.0699 720416.6 60
+  107.0853 3337029.8 280
+  112.0867 2253385 189
+  113.0705 505826.4 42
+  114.1026 262631.4 22
+  115.0862 1414934.9 119
+  116.0701 527137.8 44
+  117.07 452142 38
+  120.0805 181167.3 15
+  125.0711 255828.4 21
+  131.0854 373144.6 31
+  135.0801 11864866 999
+  135.1163 4107829.8 345
+  140.0816 336590.5 28
+  152.0699 899526.8 75
+  156.1236 457483.6 38
+  157.1077 1536910.5 129
+  163.1109 3947489 332
+  174.134 2760985 232
+  181.0963 1695807.2 142
+  183.1124 810010.8 68
+  198.1229 356069.5 29
+  199.1068 681612.9 57
+  200.1133 1294913.8 109
+  208.1068 174305.8 14
+  209.0906 1627022.4 136
+  226.117 720773.9 60
+  227.1015 4927395.5 414
+  244.1287 306993.2 25
+  253.0808 2150986 181
+  265.1583 350214.8 29
+  282.1854 226812.3 19
+  283.128 356687.6 30
+  285.1657 847132.1 71
+  303.178 697797.8 58
+  366.1765 1632277.9 137
+  389.2064 1894262.1 159
+//
diff --git a/Eawag/MSBNK-EAWAG-EC086106.txt b/Eawag/MSBNK-EAWAG-EC086106.txt
new file mode 100644
index 0000000000..6dfa9b8108
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC086106.txt
@@ -0,0 +1,137 @@
+ACCESSION: MSBNK-EAWAG-EC086106
+RECORD_TITLE: Nodularin-R; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], K. Thomas [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.4224/crm.2013.nodr.20070214
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 861
+CH$NAME: Nodularin-R
+CH$NAME: Nodularin R
+CH$NAME: (2Z,5R,6S,9S,12S,13S,16R)-9-[3-(diaminomethylideneamino)propyl]-2-ethylidene-12-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,6,13-trimethyl-3,7,10,14,19-pentaoxo-1,4,8,11,15-pentazacyclononadecane-5,16-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C41H60N8O10
+CH$EXACT_MASS: 824.4432401
+CH$SMILES: C/C=C\1/C(=O)N[C@H]([C@@H](C(=O)N[C@H](C(=O)N[C@H]([C@@H](C(=O)N[C@H](CCC(=O)N1C)C(=O)O)C)/C=C/C(=C/[C@H](C)[C@H](CC2=CC=CC=C2)OC)/C)CCCN=C(N)N)C)C(=O)O
+CH$IUPAC: InChI=1S/C41H60N8O10/c1-8-31-38(54)48-34(40(57)58)26(5)36(52)46-29(15-12-20-44-41(42)43)37(53)45-28(25(4)35(51)47-30(39(55)56)18-19-33(50)49(31)6)17-16-23(2)21-24(3)32(59-7)22-27-13-10-9-11-14-27/h8-11,13-14,16-17,21,24-26,28-30,32,34H,12,15,18-20,22H2,1-7H3,(H,45,53)(H,46,52)(H,47,51)(H,48,54)(H,55,56)(H,57,58)(H4,42,43,44)/b17-16+,23-21+,31-8-/t24-,25-,26-,28-,29-,30+,32-,34+/m0/s1
+CH$LINK: CAS 118399-22-7
+CH$LINK: CHEBI 80043
+CH$LINK: KEGG C15713
+CH$LINK: PUBCHEM CID:14217092
+CH$LINK: INCHIKEY IXBQSRWSVIBXNC-HSKGSTCASA-N
+CH$LINK: CHEMSPIDER 10471625
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-863
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 14.504 min
+MS$FOCUSED_ION: BASE_PEAK 825.4481
+MS$FOCUSED_ION: PRECURSOR_M/Z 825.4505
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0079-2910000000-2fe97f1848b775654690
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  60.0555 CH6N3+ 1 60.0556 -1.91
+  69.0335 C4H5O+ 1 69.0335 -0.53
+  70.065 C4H8N+ 1 70.0651 -1.81
+  84.0442 C4H6NO+ 1 84.0444 -1.98
+  87.079 C3H9N3+ 1 87.0791 -1.16
+  91.054 C7H7+ 1 91.0542 -2.79
+  93.0697 C7H9+ 1 93.0699 -2.36
+  103.054 C8H7+ 1 103.0542 -2.5
+  105.0697 C8H9+ 1 105.0699 -1.97
+  107.0853 C8H11+ 1 107.0855 -1.9
+  112.0867 C5H10N3+ 1 112.0869 -2.43
+  113.0708 C5H9N2O+ 1 113.0709 -1.13
+  114.1024 C5H12N3+ 1 114.1026 -1.16
+  115.0863 C5H11N2O+ 1 115.0866 -2.36
+  116.0701 C5H10NO2+ 1 116.0706 -3.94
+  117.0696 C9H9+ 1 117.0699 -2.28
+  120.0805 C8H10N+ 1 120.0808 -2.19
+  124.0758 C7H10NO+ 1 124.0757 0.73
+  125.0706 C6H9N2O+ 1 125.0709 -2.98
+  127.0862 C6H11N2O+ 1 127.0866 -2.77
+  131.0854 C10H11+ 1 131.0855 -0.83
+  135.0801 C9H11O+ 1 135.0804 -2.75
+  135.1162 C10H15+ 1 135.1168 -4.28
+  140.0814 C6H10N3O+ 1 140.0818 -2.97
+  141.0656 C6H9N2O2+ 1 141.0659 -1.92
+  145.1005 C11H13+ 1 145.1012 -4.66
+  152.0701 C8H10NO2+ 1 152.0706 -3.06
+  153.1019 C8H13N2O+ 1 153.1022 -1.91
+  157.108 C6H13N4O+ 1 157.1084 -2.58
+  163.0855 C7H9N5+ 1 163.0852 1.71
+  163.1109 C9H13N3+ 1 163.1104 2.99
+  174.134 C5H20NO5+ 2 174.1336 2.26
+  180.1119 C7H12N6+ 1 180.1118 0.69
+  181.0963 C7H11N5O+ 2 181.0958 2.8
+  182.0803 C7H10N4O2+ 2 182.0798 2.53
+  183.0871 C6H15O6+ 3 183.0863 4.21
+  183.1122 C9H15N2O2+ 2 183.1128 -3.38
+  200.1135 C6H18NO6+ 3 200.1129 3.17
+  201.0975 C6H17O7+ 3 201.0969 3.08
+  208.1071 C8H12N6O+ 2 208.1067 1.89
+  209.0908 C8H11N5O2+ 1 209.0907 0.22
+  210.0748 C8H10N4O3+ 1 210.0747 0.1
+  227.1015 C8H13N5O3+ 1 227.1013 0.86
+  253.0808 C9H11N5O4+ 2 253.0806 1.02
+  269.1241 C11H17N4O4+ 3 269.1244 -1.28
+PK$NUM_PEAK: 45
+PK$PEAK: m/z int. rel.int.
+  60.0555 357369.4 19
+  69.0335 433973.6 24
+  70.065 14421821 800
+  84.0442 1450472.6 80
+  87.079 243139.7 13
+  91.054 1057644 58
+  93.0697 1490039.9 82
+  103.054 2176301.8 120
+  105.0697 3068815.5 170
+  107.0853 6983562.5 387
+  112.0867 2828833.5 157
+  113.0708 747289.1 41
+  114.1024 665551.8 36
+  115.0863 2155960.5 119
+  116.0701 630994.4 35
+  117.0696 1683614.4 93
+  120.0805 349748.8 19
+  124.0758 338520.8 18
+  125.0706 434114.5 24
+  127.0862 220084.4 12
+  131.0854 378233.8 20
+  135.0801 17993750 999
+  135.1162 5970441 331
+  140.0814 696937.8 38
+  141.0656 456797.1 25
+  145.1005 285831.6 15
+  152.0701 1113452.6 61
+  153.1019 449973.9 24
+  157.108 1230125.6 68
+  163.0855 432020.5 23
+  163.1109 2368472.2 131
+  174.134 1171975.5 65
+  180.1119 289687.7 16
+  181.0963 2277107 126
+  182.0803 540842.9 30
+  183.0871 290817.6 16
+  183.1122 910853.6 50
+  200.1135 1520146.6 84
+  201.0975 557371.2 30
+  208.1071 210497.4 11
+  209.0908 1984725.8 110
+  210.0748 365938.6 20
+  227.1015 4767576 264
+  253.0808 1518645.6 84
+  269.1241 265536.5 14
+//
diff --git a/Eawag/MSBNK-EAWAG-EC086107.txt b/Eawag/MSBNK-EAWAG-EC086107.txt
new file mode 100644
index 0000000000..5b135d1c42
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC086107.txt
@@ -0,0 +1,131 @@
+ACCESSION: MSBNK-EAWAG-EC086107
+RECORD_TITLE: Nodularin-R; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], K. Thomas [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.4224/crm.2013.nodr.20070214
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 861
+CH$NAME: Nodularin-R
+CH$NAME: Nodularin R
+CH$NAME: (2Z,5R,6S,9S,12S,13S,16R)-9-[3-(diaminomethylideneamino)propyl]-2-ethylidene-12-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,6,13-trimethyl-3,7,10,14,19-pentaoxo-1,4,8,11,15-pentazacyclononadecane-5,16-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C41H60N8O10
+CH$EXACT_MASS: 824.4432401
+CH$SMILES: C/C=C\1/C(=O)N[C@H]([C@@H](C(=O)N[C@H](C(=O)N[C@H]([C@@H](C(=O)N[C@H](CCC(=O)N1C)C(=O)O)C)/C=C/C(=C/[C@H](C)[C@H](CC2=CC=CC=C2)OC)/C)CCCN=C(N)N)C)C(=O)O
+CH$IUPAC: InChI=1S/C41H60N8O10/c1-8-31-38(54)48-34(40(57)58)26(5)36(52)46-29(15-12-20-44-41(42)43)37(53)45-28(25(4)35(51)47-30(39(55)56)18-19-33(50)49(31)6)17-16-23(2)21-24(3)32(59-7)22-27-13-10-9-11-14-27/h8-11,13-14,16-17,21,24-26,28-30,32,34H,12,15,18-20,22H2,1-7H3,(H,45,53)(H,46,52)(H,47,51)(H,48,54)(H,55,56)(H,57,58)(H4,42,43,44)/b17-16+,23-21+,31-8-/t24-,25-,26-,28-,29-,30+,32-,34+/m0/s1
+CH$LINK: CAS 118399-22-7
+CH$LINK: CHEBI 80043
+CH$LINK: KEGG C15713
+CH$LINK: PUBCHEM CID:14217092
+CH$LINK: INCHIKEY IXBQSRWSVIBXNC-HSKGSTCASA-N
+CH$LINK: CHEMSPIDER 10471625
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-863
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 14.504 min
+MS$FOCUSED_ION: BASE_PEAK 825.4481
+MS$FOCUSED_ION: PRECURSOR_M/Z 825.4505
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-05g0-4900000000-6b9c8956e784df7c15dd
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  69.0333 C4H5O+ 1 69.0335 -2.74
+  70.065 C4H8N+ 1 70.0651 -2.35
+  72.0808 C4H10N+ 1 72.0808 -0.09
+  79.0539 C6H7+ 1 79.0542 -4.33
+  84.0442 C4H6NO+ 1 84.0444 -2.34
+  87.079 C3H9N3+ 1 87.0791 -1.07
+  91.054 C7H7+ 1 91.0542 -2.79
+  93.0696 C7H9+ 1 93.0699 -2.61
+  95.0602 C5H7N2+ 1 95.0604 -1.98
+  98.0597 C5H8NO+ 1 98.06 -3.02
+  103.054 C8H7+ 1 103.0542 -2.65
+  105.0696 C8H9+ 1 105.0699 -2.69
+  107.0852 C8H11+ 1 107.0855 -2.61
+  112.0867 C5H10N3+ 1 112.0869 -2.22
+  113.0706 C5H9N2O+ 1 113.0709 -3.16
+  114.1022 C5H12N3+ 1 114.1026 -2.9
+  115.0539 C9H7+ 1 115.0542 -2.96
+  115.0862 C5H11N2O+ 1 115.0866 -3.75
+  117.0695 C9H9+ 1 117.0699 -3.13
+  119.0852 C9H11+ 1 119.0855 -2.45
+  120.0806 C8H10N+ 1 120.0808 -1.56
+  124.0757 C7H10NO+ 1 124.0757 0.36
+  127.0863 C6H11N2O+ 1 127.0866 -2.05
+  130.0498 C5H8NO3+ 1 130.0499 -0.46
+  130.0971 C5H12N3O+ 1 130.0975 -3.13
+  131.085 C10H11+ 1 131.0855 -3.86
+  135.08 C9H11O+ 1 135.0804 -3.31
+  135.1162 C10H15+ 1 135.1168 -4.96
+  140.0815 C6H10N3O+ 1 140.0818 -2.21
+  141.0654 C6H9N2O2+ 1 141.0659 -3.54
+  153.1017 C8H13N2O+ 1 153.1022 -3.31
+  157.1077 C5H17O5+ 3 157.1071 4.09
+  163.086 C7H9N5+ 2 163.0852 4.8
+  163.111 C9H13N3+ 2 163.1104 3.92
+  174.1342 C5H20NO5+ 3 174.1336 3.4
+  181.0964 C7H11N5O+ 2 181.0958 3.3
+  182.08 C7H10N4O2+ 1 182.0798 0.94
+  183.0867 C6H15O6+ 2 183.0863 2.21
+  201.0973 C6H17O7+ 3 201.0969 2.24
+  209.0909 C8H11N5O2+ 1 209.0907 0.73
+  226.1175 C8H14N6O2+ 2 226.1173 1.2
+  227.1014 C8H13N5O3+ 1 227.1013 0.66
+PK$NUM_PEAK: 42
+PK$PEAK: m/z int. rel.int.
+  69.0333 627333.1 30
+  70.065 20702720 999
+  72.0808 375497.1 18
+  79.0539 800282.5 38
+  84.0442 2534429.8 122
+  87.079 273535.9 13
+  91.054 2011445.4 97
+  93.0696 2664216 128
+  95.0602 436499.5 21
+  98.0597 613091.8 29
+  103.054 7355273 354
+  105.0696 6524574 314
+  107.0852 8682138 418
+  112.0867 2575178 124
+  113.0706 551614.9 26
+  114.1022 591279.3 28
+  115.0539 701881.2 33
+  115.0862 2041745.2 98
+  117.0695 3232490.2 155
+  119.0852 317336.5 15
+  120.0806 342573.3 16
+  124.0757 564279.8 27
+  127.0863 367930.6 17
+  130.0498 545563.3 26
+  130.0971 284981.2 13
+  131.085 473813.2 22
+  135.08 13875364 669
+  135.1162 3878295.2 187
+  140.0815 552533 26
+  141.0654 1043323.9 50
+  153.1017 951263.3 45
+  157.1077 755990.6 36
+  163.086 566981.4 27
+  163.111 986944.6 47
+  174.1342 457504.6 22
+  181.0964 2699506.2 130
+  182.08 671855.1 32
+  183.0867 292043.4 14
+  201.0973 541814.8 26
+  209.0909 1664741.2 80
+  226.1175 287771 13
+  227.1014 1850439.2 89
+//
diff --git a/Eawag/MSBNK-EAWAG-EC086108.txt b/Eawag/MSBNK-EAWAG-EC086108.txt
new file mode 100644
index 0000000000..5f13cb6866
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC086108.txt
@@ -0,0 +1,133 @@
+ACCESSION: MSBNK-EAWAG-EC086108
+RECORD_TITLE: Nodularin-R; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], K. Thomas [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.4224/crm.2013.nodr.20070214
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 861
+CH$NAME: Nodularin-R
+CH$NAME: Nodularin R
+CH$NAME: (2Z,5R,6S,9S,12S,13S,16R)-9-[3-(diaminomethylideneamino)propyl]-2-ethylidene-12-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,6,13-trimethyl-3,7,10,14,19-pentaoxo-1,4,8,11,15-pentazacyclononadecane-5,16-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C41H60N8O10
+CH$EXACT_MASS: 824.4432401
+CH$SMILES: C/C=C\1/C(=O)N[C@H]([C@@H](C(=O)N[C@H](C(=O)N[C@H]([C@@H](C(=O)N[C@H](CCC(=O)N1C)C(=O)O)C)/C=C/C(=C/[C@H](C)[C@H](CC2=CC=CC=C2)OC)/C)CCCN=C(N)N)C)C(=O)O
+CH$IUPAC: InChI=1S/C41H60N8O10/c1-8-31-38(54)48-34(40(57)58)26(5)36(52)46-29(15-12-20-44-41(42)43)37(53)45-28(25(4)35(51)47-30(39(55)56)18-19-33(50)49(31)6)17-16-23(2)21-24(3)32(59-7)22-27-13-10-9-11-14-27/h8-11,13-14,16-17,21,24-26,28-30,32,34H,12,15,18-20,22H2,1-7H3,(H,45,53)(H,46,52)(H,47,51)(H,48,54)(H,55,56)(H,57,58)(H4,42,43,44)/b17-16+,23-21+,31-8-/t24-,25-,26-,28-,29-,30+,32-,34+/m0/s1
+CH$LINK: CAS 118399-22-7
+CH$LINK: CHEBI 80043
+CH$LINK: KEGG C15713
+CH$LINK: PUBCHEM CID:14217092
+CH$LINK: INCHIKEY IXBQSRWSVIBXNC-HSKGSTCASA-N
+CH$LINK: CHEMSPIDER 10471625
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-863
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 14.504 min
+MS$FOCUSED_ION: BASE_PEAK 825.4481
+MS$FOCUSED_ION: PRECURSOR_M/Z 825.4505
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0kmi-7900000000-aea3647f4fc1ed8734bf
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  55.0541 C4H7+ 1 55.0542 -2.31
+  56.0494 C3H6N+ 1 56.0495 -2.13
+  60.0556 CH6N3+ 1 60.0556 -0.33
+  68.0494 C4H6N+ 1 68.0495 -1.73
+  69.0333 C4H5O+ 1 69.0335 -2.19
+  70.065 C4H8N+ 1 70.0651 -2.14
+  71.0491 C4H7O+ 1 71.0491 -0.75
+  72.0806 C4H10N+ 1 72.0808 -2.2
+  77.0386 C6H5+ 1 77.0386 -0.33
+  79.0541 C6H7+ 1 79.0542 -1.82
+  83.0489 C5H7O+ 1 83.0491 -2.92
+  84.0442 C4H6NO+ 1 84.0444 -1.98
+  85.0282 C4H5O2+ 1 85.0284 -2.27
+  91.054 C7H7+ 1 91.0542 -2.21
+  93.0696 C7H9+ 1 93.0699 -2.53
+  94.0651 C6H8N+ 1 94.0651 -0.67
+  95.049 C6H7O+ 1 95.0491 -1.79
+  95.0603 C5H7N2+ 1 95.0604 -0.7
+  97.0756 C5H9N2+ 1 97.076 -4.63
+  98.0597 C5H8NO+ 1 98.06 -3.1
+  103.054 C8H7+ 1 103.0542 -2.5
+  105.0696 C8H9+ 1 105.0699 -2.4
+  107.0853 C8H11+ 1 107.0855 -2.47
+  109.0647 C7H9O+ 1 109.0648 -0.87
+  112.0865 C5H10N3+ 1 112.0869 -3.58
+  113.023 C5H5O3+ 1 113.0233 -2.85
+  113.0705 C5H9N2O+ 1 113.0709 -3.56
+  114.1024 C5H12N3+ 1 114.1026 -1.1
+  115.054 C9H7+ 1 115.0542 -1.57
+  115.0863 C5H11N2O+ 1 115.0866 -2.36
+  117.0696 C9H9+ 1 117.0699 -2.15
+  119.0852 C9H11+ 1 119.0855 -2.45
+  120.0566 C8H8O+ 1 120.057 -3.22
+  120.0809 C8H10N+ 1 120.0808 0.67
+  125.0707 C6H9N2O+ 1 125.0709 -2.31
+  130.0495 C5H8NO3+ 1 130.0499 -2.81
+  135.0801 C9H11O+ 1 135.0804 -2.86
+  140.0816 C6H10N3O+ 1 140.0818 -1.45
+  141.0655 C6H9N2O2+ 1 141.0659 -2.57
+  145.1009 C11H13+ 1 145.1012 -1.61
+  152.0702 C8H10NO2+ 1 152.0706 -2.76
+  153.1019 C8H13N2O+ 1 153.1022 -2.01
+  181.0961 C7H11N5O+ 1 181.0958 1.7
+PK$NUM_PEAK: 43
+PK$PEAK: m/z int. rel.int.
+  55.0541 209942.9 10
+  56.0494 381383 18
+  60.0556 427210.1 20
+  68.0494 301952.4 14
+  69.0333 566501.6 27
+  70.065 20593680 999
+  71.0491 230369.6 11
+  72.0806 452943 21
+  77.0386 305265.6 14
+  79.0541 1329894.1 64
+  83.0489 277494.2 13
+  84.0442 2699368 130
+  85.0282 278364.8 13
+  91.054 2906603.8 140
+  93.0696 2540703.8 123
+  94.0651 208464.9 10
+  95.049 336566.3 16
+  95.0603 563060.9 27
+  97.0756 832134.6 40
+  98.0597 940472.2 45
+  103.054 11110617 538
+  105.0696 6915113 335
+  107.0853 7281970 353
+  109.0647 227457.8 11
+  112.0865 1666026.5 80
+  113.023 449022.9 21
+  113.0705 377241.4 18
+  114.1024 419936.9 20
+  115.054 1259608.6 61
+  115.0863 980441.3 47
+  117.0696 2777144.2 134
+  119.0852 446510.3 21
+  120.0566 351347.6 17
+  120.0809 314440.9 15
+  125.0707 517089.3 25
+  130.0495 452389.1 21
+  135.0801 6348157 307
+  140.0816 416150.2 20
+  141.0655 809436.4 39
+  145.1009 260283.4 12
+  152.0702 227809.6 11
+  153.1019 771657.5 37
+  181.0961 1808745.4 87
+//
diff --git a/Eawag/MSBNK-EAWAG-EC086109.txt b/Eawag/MSBNK-EAWAG-EC086109.txt
new file mode 100644
index 0000000000..730b0492be
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC086109.txt
@@ -0,0 +1,125 @@
+ACCESSION: MSBNK-EAWAG-EC086109
+RECORD_TITLE: Nodularin-R; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], K. Thomas [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.4224/crm.2013.nodr.20070214
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 861
+CH$NAME: Nodularin-R
+CH$NAME: Nodularin R
+CH$NAME: (2Z,5R,6S,9S,12S,13S,16R)-9-[3-(diaminomethylideneamino)propyl]-2-ethylidene-12-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,6,13-trimethyl-3,7,10,14,19-pentaoxo-1,4,8,11,15-pentazacyclononadecane-5,16-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C41H60N8O10
+CH$EXACT_MASS: 824.4432401
+CH$SMILES: C/C=C\1/C(=O)N[C@H]([C@@H](C(=O)N[C@H](C(=O)N[C@H]([C@@H](C(=O)N[C@H](CCC(=O)N1C)C(=O)O)C)/C=C/C(=C/[C@H](C)[C@H](CC2=CC=CC=C2)OC)/C)CCCN=C(N)N)C)C(=O)O
+CH$IUPAC: InChI=1S/C41H60N8O10/c1-8-31-38(54)48-34(40(57)58)26(5)36(52)46-29(15-12-20-44-41(42)43)37(53)45-28(25(4)35(51)47-30(39(55)56)18-19-33(50)49(31)6)17-16-23(2)21-24(3)32(59-7)22-27-13-10-9-11-14-27/h8-11,13-14,16-17,21,24-26,28-30,32,34H,12,15,18-20,22H2,1-7H3,(H,45,53)(H,46,52)(H,47,51)(H,48,54)(H,55,56)(H,57,58)(H4,42,43,44)/b17-16+,23-21+,31-8-/t24-,25-,26-,28-,29-,30+,32-,34+/m0/s1
+CH$LINK: CAS 118399-22-7
+CH$LINK: CHEBI 80043
+CH$LINK: KEGG C15713
+CH$LINK: PUBCHEM CID:14217092
+CH$LINK: INCHIKEY IXBQSRWSVIBXNC-HSKGSTCASA-N
+CH$LINK: CHEMSPIDER 10471625
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-863
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 14.504 min
+MS$FOCUSED_ION: BASE_PEAK 825.4481
+MS$FOCUSED_ION: PRECURSOR_M/Z 825.4505
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0kmi-8900000000-b9b4afde5444703884ee
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  55.054 C4H7+ 1 55.0542 -3.21
+  56.0495 C3H6N+ 1 56.0495 -0.29
+  60.0556 CH6N3+ 1 60.0556 -1.09
+  68.0493 C4H6N+ 1 68.0495 -2.85
+  69.0335 C4H5O+ 1 69.0335 0.02
+  70.065 C4H8N+ 1 70.0651 -2.14
+  71.049 C4H7O+ 1 71.0491 -2.36
+  72.0805 C4H10N+ 1 72.0808 -3.58
+  77.0384 C6H5+ 1 77.0386 -2.12
+  79.0541 C6H7+ 1 79.0542 -2.11
+  82.0286 C4H4NO+ 1 82.0287 -1.33
+  83.049 C5H7O+ 1 83.0491 -2.09
+  84.0442 C4H6NO+ 1 84.0444 -1.89
+  85.0282 C4H5O2+ 1 85.0284 -2.9
+  91.054 C7H7+ 1 91.0542 -2.29
+  93.0697 C7H9+ 1 93.0699 -2.28
+  94.0649 C6H8N+ 1 94.0651 -1.89
+  95.049 C6H7O+ 1 95.0491 -1.71
+  95.0599 C5H7N2+ 1 95.0604 -4.55
+  97.0757 C5H9N2+ 1 97.076 -3.38
+  98.0599 C5H8NO+ 1 98.06 -1.15
+  103.054 C8H7+ 1 103.0542 -2.42
+  105.0696 C8H9+ 1 105.0699 -2.48
+  107.0853 C8H11+ 1 107.0855 -2.25
+  112.0866 C5H10N3+ 1 112.0869 -2.9
+  113.0228 C5H5O3+ 1 113.0233 -4.81
+  115.0539 C9H7+ 1 115.0542 -2.63
+  115.0862 C5H11N2O+ 1 115.0866 -3.29
+  117.0696 C9H9+ 1 117.0699 -2.21
+  119.0853 C9H11+ 1 119.0855 -2.13
+  120.0567 C8H8O+ 1 120.057 -2.52
+  120.0803 C8H10N+ 1 120.0808 -3.59
+  124.0751 C7H10NO+ 1 124.0757 -4.5
+  125.0704 C6H9N2O+ 1 125.0709 -3.96
+  130.0497 C5H8NO3+ 1 130.0499 -0.93
+  135.08 C9H11O+ 1 135.0804 -3.31
+  135.0914 C8H11N2+ 1 135.0917 -2.09
+  135.1162 C10H15+ 1 135.1168 -4.62
+  181.0963 C7H11N5O+ 2 181.0958 2.88
+PK$NUM_PEAK: 39
+PK$PEAK: m/z int. rel.int.
+  55.054 377377.3 17
+  56.0495 477395.1 22
+  60.0556 581228.3 27
+  68.0493 558430.6 26
+  69.0335 596166.1 27
+  70.065 21366396 999
+  71.049 267474.7 12
+  72.0805 477078.3 22
+  77.0384 707086.4 33
+  79.0541 1719913.1 80
+  82.0286 354740.9 16
+  83.049 390467.8 18
+  84.0442 2982919.5 139
+  85.0282 371117.7 17
+  91.054 4414191 206
+  93.0697 2279550.5 106
+  94.0649 357378.3 16
+  95.049 1200294.4 56
+  95.0599 573214.1 26
+  97.0757 823493.6 38
+  98.0599 1139086.1 53
+  103.054 17062750 797
+  105.0696 7409101 346
+  107.0853 6029607.5 281
+  112.0866 1383399.1 64
+  113.0228 469353.9 21
+  115.0539 1910593.5 89
+  115.0862 694557.8 32
+  117.0696 2604846 121
+  119.0853 432813.2 20
+  120.0567 395632.5 18
+  120.0803 370117 17
+  124.0751 311467 14
+  125.0704 466476.5 21
+  130.0497 331345.4 15
+  135.08 3329625 155
+  135.0914 483670.2 22
+  135.1162 735574.2 34
+  181.0963 1064897.9 49
+//
diff --git a/Eawag/MSBNK-EAWAG-EC086151.txt b/Eawag/MSBNK-EAWAG-EC086151.txt
new file mode 100644
index 0000000000..7795a83b6f
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC086151.txt
@@ -0,0 +1,51 @@
+ACCESSION: MSBNK-EAWAG-EC086151
+RECORD_TITLE: Nodularin-R; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], K. Thomas [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.4224/crm.2013.nodr.20070214
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 861
+CH$NAME: Nodularin-R
+CH$NAME: Nodularin R
+CH$NAME: (2Z,5R,6S,9S,12S,13S,16R)-9-[3-(diaminomethylideneamino)propyl]-2-ethylidene-12-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,6,13-trimethyl-3,7,10,14,19-pentaoxo-1,4,8,11,15-pentazacyclononadecane-5,16-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C41H60N8O10
+CH$EXACT_MASS: 824.4432401
+CH$SMILES: C/C=C\1/C(=O)N[C@H]([C@@H](C(=O)N[C@H](C(=O)N[C@H]([C@@H](C(=O)N[C@H](CCC(=O)N1C)C(=O)O)C)/C=C/C(=C/[C@H](C)[C@H](CC2=CC=CC=C2)OC)/C)CCCN=C(N)N)C)C(=O)O
+CH$IUPAC: InChI=1S/C41H60N8O10/c1-8-31-38(54)48-34(40(57)58)26(5)36(52)46-29(15-12-20-44-41(42)43)37(53)45-28(25(4)35(51)47-30(39(55)56)18-19-33(50)49(31)6)17-16-23(2)21-24(3)32(59-7)22-27-13-10-9-11-14-27/h8-11,13-14,16-17,21,24-26,28-30,32,34H,12,15,18-20,22H2,1-7H3,(H,45,53)(H,46,52)(H,47,51)(H,48,54)(H,55,56)(H,57,58)(H4,42,43,44)/b17-16+,23-21+,31-8-/t24-,25-,26-,28-,29-,30+,32-,34+/m0/s1
+CH$LINK: CAS 118399-22-7
+CH$LINK: CHEBI 80043
+CH$LINK: KEGG C15713
+CH$LINK: PUBCHEM CID:14217092
+CH$LINK: INCHIKEY IXBQSRWSVIBXNC-HSKGSTCASA-N
+CH$LINK: CHEMSPIDER 10471625
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-861
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 14.543 min
+MS$FOCUSED_ION: BASE_PEAK 823.4367
+MS$FOCUSED_ION: PRECURSOR_M/Z 823.436
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00di-0000000090-9ef68b997cd28f680b38
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  805.426 C41H57N8O9- 1 805.4254 0.78
+  823.4361 C41H59N8O10- 1 823.436 0.12
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  805.426 478017.1 24
+  823.4361 19876784 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC086152.txt b/Eawag/MSBNK-EAWAG-EC086152.txt
new file mode 100644
index 0000000000..2b3f867cbc
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC086152.txt
@@ -0,0 +1,51 @@
+ACCESSION: MSBNK-EAWAG-EC086152
+RECORD_TITLE: Nodularin-R; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], K. Thomas [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.4224/crm.2013.nodr.20070214
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 861
+CH$NAME: Nodularin-R
+CH$NAME: Nodularin R
+CH$NAME: (2Z,5R,6S,9S,12S,13S,16R)-9-[3-(diaminomethylideneamino)propyl]-2-ethylidene-12-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,6,13-trimethyl-3,7,10,14,19-pentaoxo-1,4,8,11,15-pentazacyclononadecane-5,16-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C41H60N8O10
+CH$EXACT_MASS: 824.4432401
+CH$SMILES: C/C=C\1/C(=O)N[C@H]([C@@H](C(=O)N[C@H](C(=O)N[C@H]([C@@H](C(=O)N[C@H](CCC(=O)N1C)C(=O)O)C)/C=C/C(=C/[C@H](C)[C@H](CC2=CC=CC=C2)OC)/C)CCCN=C(N)N)C)C(=O)O
+CH$IUPAC: InChI=1S/C41H60N8O10/c1-8-31-38(54)48-34(40(57)58)26(5)36(52)46-29(15-12-20-44-41(42)43)37(53)45-28(25(4)35(51)47-30(39(55)56)18-19-33(50)49(31)6)17-16-23(2)21-24(3)32(59-7)22-27-13-10-9-11-14-27/h8-11,13-14,16-17,21,24-26,28-30,32,34H,12,15,18-20,22H2,1-7H3,(H,45,53)(H,46,52)(H,47,51)(H,48,54)(H,55,56)(H,57,58)(H4,42,43,44)/b17-16+,23-21+,31-8-/t24-,25-,26-,28-,29-,30+,32-,34+/m0/s1
+CH$LINK: CAS 118399-22-7
+CH$LINK: CHEBI 80043
+CH$LINK: KEGG C15713
+CH$LINK: PUBCHEM CID:14217092
+CH$LINK: INCHIKEY IXBQSRWSVIBXNC-HSKGSTCASA-N
+CH$LINK: CHEMSPIDER 10471625
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-861
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 14.543 min
+MS$FOCUSED_ION: BASE_PEAK 823.4367
+MS$FOCUSED_ION: PRECURSOR_M/Z 823.436
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00di-0000000090-3280ad9db3c75c755b2e
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  805.4256 C41H57N8O9- 1 805.4254 0.25
+  823.4358 C41H59N8O10- 1 823.436 -0.18
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  805.4256 2456060.8 184
+  823.4358 13279289 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC086153.txt b/Eawag/MSBNK-EAWAG-EC086153.txt
new file mode 100644
index 0000000000..97ec5f0257
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC086153.txt
@@ -0,0 +1,57 @@
+ACCESSION: MSBNK-EAWAG-EC086153
+RECORD_TITLE: Nodularin-R; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], K. Thomas [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.4224/crm.2013.nodr.20070214
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 861
+CH$NAME: Nodularin-R
+CH$NAME: Nodularin R
+CH$NAME: (2Z,5R,6S,9S,12S,13S,16R)-9-[3-(diaminomethylideneamino)propyl]-2-ethylidene-12-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,6,13-trimethyl-3,7,10,14,19-pentaoxo-1,4,8,11,15-pentazacyclononadecane-5,16-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C41H60N8O10
+CH$EXACT_MASS: 824.4432401
+CH$SMILES: C/C=C\1/C(=O)N[C@H]([C@@H](C(=O)N[C@H](C(=O)N[C@H]([C@@H](C(=O)N[C@H](CCC(=O)N1C)C(=O)O)C)/C=C/C(=C/[C@H](C)[C@H](CC2=CC=CC=C2)OC)/C)CCCN=C(N)N)C)C(=O)O
+CH$IUPAC: InChI=1S/C41H60N8O10/c1-8-31-38(54)48-34(40(57)58)26(5)36(52)46-29(15-12-20-44-41(42)43)37(53)45-28(25(4)35(51)47-30(39(55)56)18-19-33(50)49(31)6)17-16-23(2)21-24(3)32(59-7)22-27-13-10-9-11-14-27/h8-11,13-14,16-17,21,24-26,28-30,32,34H,12,15,18-20,22H2,1-7H3,(H,45,53)(H,46,52)(H,47,51)(H,48,54)(H,55,56)(H,57,58)(H4,42,43,44)/b17-16+,23-21+,31-8-/t24-,25-,26-,28-,29-,30+,32-,34+/m0/s1
+CH$LINK: CAS 118399-22-7
+CH$LINK: CHEBI 80043
+CH$LINK: KEGG C15713
+CH$LINK: PUBCHEM CID:14217092
+CH$LINK: INCHIKEY IXBQSRWSVIBXNC-HSKGSTCASA-N
+CH$LINK: CHEMSPIDER 10471625
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-861
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 14.543 min
+MS$FOCUSED_ION: BASE_PEAK 823.4367
+MS$FOCUSED_ION: PRECURSOR_M/Z 823.436
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-05fr-0000000090-e3e436265a0193c5852e
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  128.0351 C5H6NO3- 1 128.0353 -1.35
+  787.4142 C41H55N8O8- 1 787.4148 -0.77
+  788.3998 C41H54N7O9- 1 788.3988 1.23
+  805.4257 C41H57N8O9- 1 805.4254 0.33
+  823.4356 C41H59N8O10- 1 823.436 -0.48
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  128.0351 370899.9 70
+  787.4142 321294.2 61
+  788.3998 322374.3 61
+  805.4257 5091814.5 967
+  823.4356 5255913.5 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC086154.txt b/Eawag/MSBNK-EAWAG-EC086154.txt
new file mode 100644
index 0000000000..421e474815
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC086154.txt
@@ -0,0 +1,75 @@
+ACCESSION: MSBNK-EAWAG-EC086154
+RECORD_TITLE: Nodularin-R; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], K. Thomas [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.4224/crm.2013.nodr.20070214
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 861
+CH$NAME: Nodularin-R
+CH$NAME: Nodularin R
+CH$NAME: (2Z,5R,6S,9S,12S,13S,16R)-9-[3-(diaminomethylideneamino)propyl]-2-ethylidene-12-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,6,13-trimethyl-3,7,10,14,19-pentaoxo-1,4,8,11,15-pentazacyclononadecane-5,16-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C41H60N8O10
+CH$EXACT_MASS: 824.4432401
+CH$SMILES: C/C=C\1/C(=O)N[C@H]([C@@H](C(=O)N[C@H](C(=O)N[C@H]([C@@H](C(=O)N[C@H](CCC(=O)N1C)C(=O)O)C)/C=C/C(=C/[C@H](C)[C@H](CC2=CC=CC=C2)OC)/C)CCCN=C(N)N)C)C(=O)O
+CH$IUPAC: InChI=1S/C41H60N8O10/c1-8-31-38(54)48-34(40(57)58)26(5)36(52)46-29(15-12-20-44-41(42)43)37(53)45-28(25(4)35(51)47-30(39(55)56)18-19-33(50)49(31)6)17-16-23(2)21-24(3)32(59-7)22-27-13-10-9-11-14-27/h8-11,13-14,16-17,21,24-26,28-30,32,34H,12,15,18-20,22H2,1-7H3,(H,45,53)(H,46,52)(H,47,51)(H,48,54)(H,55,56)(H,57,58)(H4,42,43,44)/b17-16+,23-21+,31-8-/t24-,25-,26-,28-,29-,30+,32-,34+/m0/s1
+CH$LINK: CAS 118399-22-7
+CH$LINK: CHEBI 80043
+CH$LINK: KEGG C15713
+CH$LINK: PUBCHEM CID:14217092
+CH$LINK: INCHIKEY IXBQSRWSVIBXNC-HSKGSTCASA-N
+CH$LINK: CHEMSPIDER 10471625
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-861
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 14.543 min
+MS$FOCUSED_ION: BASE_PEAK 823.4367
+MS$FOCUSED_ION: PRECURSOR_M/Z 823.436
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0a6r-0410010390-1562ae97c47dd563716e
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  128.0352 C5H6NO3- 1 128.0353 -0.87
+  138.067 C6H8N3O- 1 138.0673 -2.11
+  224.1031 C8H12N6O2- 2 224.1027 1.6
+  242.1138 C8H14N6O3- 2 242.1133 2.13
+  298.1399 C13H20N3O5- 2 298.1408 -3
+  412.2705 C22H38NO6- 4 412.2705 0.21
+  520.2812 C30H38N3O5- 5 520.2817 -1.05
+  538.2901 C27H42N2O9- 5 538.2896 0.98
+  580.3134 C31H42N5O6- 5 580.3141 -1.08
+  779.4455 C40H59N8O8- 1 779.4461 -0.86
+  787.4136 C41H55N8O8- 1 787.4148 -1.63
+  788.401 C41H54N7O9- 1 788.3988 2.7
+  805.4254 C41H57N8O9- 1 805.4254 -0.05
+  823.4362 C41H59N8O10- 1 823.436 0.34
+PK$NUM_PEAK: 14
+PK$PEAK: m/z int. rel.int.
+  128.0352 1935392.8 557
+  138.067 155238.4 44
+  224.1031 187119.5 53
+  242.1138 226543.5 65
+  298.1399 136132 39
+  412.2705 58571.2 16
+  520.2812 223587.7 64
+  538.2901 344268.4 99
+  580.3134 230323.8 66
+  779.4455 456225.9 131
+  787.4136 846569.4 243
+  788.401 525981.7 151
+  805.4254 3466922 999
+  823.4362 972997.7 280
+//
diff --git a/Eawag/MSBNK-EAWAG-EC086155.txt b/Eawag/MSBNK-EAWAG-EC086155.txt
new file mode 100644
index 0000000000..68e9b31f89
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC086155.txt
@@ -0,0 +1,113 @@
+ACCESSION: MSBNK-EAWAG-EC086155
+RECORD_TITLE: Nodularin-R; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], K. Thomas [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.4224/crm.2013.nodr.20070214
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 861
+CH$NAME: Nodularin-R
+CH$NAME: Nodularin R
+CH$NAME: (2Z,5R,6S,9S,12S,13S,16R)-9-[3-(diaminomethylideneamino)propyl]-2-ethylidene-12-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,6,13-trimethyl-3,7,10,14,19-pentaoxo-1,4,8,11,15-pentazacyclononadecane-5,16-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C41H60N8O10
+CH$EXACT_MASS: 824.4432401
+CH$SMILES: C/C=C\1/C(=O)N[C@H]([C@@H](C(=O)N[C@H](C(=O)N[C@H]([C@@H](C(=O)N[C@H](CCC(=O)N1C)C(=O)O)C)/C=C/C(=C/[C@H](C)[C@H](CC2=CC=CC=C2)OC)/C)CCCN=C(N)N)C)C(=O)O
+CH$IUPAC: InChI=1S/C41H60N8O10/c1-8-31-38(54)48-34(40(57)58)26(5)36(52)46-29(15-12-20-44-41(42)43)37(53)45-28(25(4)35(51)47-30(39(55)56)18-19-33(50)49(31)6)17-16-23(2)21-24(3)32(59-7)22-27-13-10-9-11-14-27/h8-11,13-14,16-17,21,24-26,28-30,32,34H,12,15,18-20,22H2,1-7H3,(H,45,53)(H,46,52)(H,47,51)(H,48,54)(H,55,56)(H,57,58)(H4,42,43,44)/b17-16+,23-21+,31-8-/t24-,25-,26-,28-,29-,30+,32-,34+/m0/s1
+CH$LINK: CAS 118399-22-7
+CH$LINK: CHEBI 80043
+CH$LINK: KEGG C15713
+CH$LINK: PUBCHEM CID:14217092
+CH$LINK: INCHIKEY IXBQSRWSVIBXNC-HSKGSTCASA-N
+CH$LINK: CHEMSPIDER 10471625
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-861
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 14.543 min
+MS$FOCUSED_ION: BASE_PEAK 823.4367
+MS$FOCUSED_ION: PRECURSOR_M/Z 823.436
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-004i-0920000000-70bfc53285f5f60bc016
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  74.0246 C2H4NO2- 1 74.0248 -1.44
+  82.0298 C4H4NO- 1 82.0298 0.1
+  84.0455 C4H6NO- 1 84.0455 0.04
+  110.0248 C5H4NO2- 1 110.0248 0.1
+  112.0403 C5H6NO2- 1 112.0404 -0.65
+  113.0719 C5H9N2O- 1 113.072 -0.83
+  127.0512 C5H7N2O2- 1 127.0513 -1.03
+  128.0353 C5H6NO3- 1 128.0353 -0.39
+  130.0506 C5H8NO3- 1 130.051 -3.1
+  131.0865 C10H11- 1 131.0866 -0.73
+  137.0718 C7H9N2O- 1 137.072 -1.5
+  138.0556 C7H8NO2- 1 138.0561 -3.42
+  138.0674 C6H8N3O- 1 138.0673 0.65
+  139.0512 C6H7N2O2- 1 139.0513 -0.83
+  140.0713 C7H10NO2- 1 140.0717 -2.78
+  149.0713 C8H9N2O- 2 149.072 -4.8
+  176.1073 C11H14NO- 2 176.1081 -4.36
+  180.1137 C9H14N3O- 2 180.1142 -2.75
+  181.0975 C7H11N5O- 2 181.0969 3.33
+  184.0609 C8H10NO4- 2 184.0615 -3.46
+  198.1238 C7H14N6O- 1 198.1235 1.62
+  206.0927 C10H12N3O2- 2 206.0935 -3.96
+  207.0763 C8H9N5O2- 1 207.0762 0.49
+  223.1191 C9H19O6- 3 223.1187 1.81
+  224.1031 C8H12N6O2- 2 224.1027 1.74
+  225.087 C8H11N5O3- 2 225.0867 0.97
+  231.088 C10H15O6- 3 231.0874 2.36
+  237.1237 C10H15N5O2- 2 237.1231 2.5
+  240.1459 C9H22NO6- 3 240.1453 2.66
+  242.1136 C8H14N6O3- 2 242.1133 1.31
+  248.114 C10H18NO6- 2 248.114 0.11
+  280.1298 C11H16N6O3- 2 280.1289 2.99
+  476.2911 C26H40N2O6- 5 476.2892 3.95
+PK$NUM_PEAK: 33
+PK$PEAK: m/z int. rel.int.
+  74.0246 122053.7 34
+  82.0298 149080 41
+  84.0455 249960.7 70
+  110.0248 530442.2 149
+  112.0403 352393.9 99
+  113.0719 480733.2 135
+  127.0512 121720.6 34
+  128.0353 3551421.8 999
+  130.0506 128220.7 36
+  131.0865 215713 60
+  137.0718 812306.3 228
+  138.0556 380060.2 106
+  138.0674 382122 107
+  139.0512 218842 61
+  140.0713 80830.8 22
+  149.0713 170493.7 47
+  176.1073 97504.5 27
+  180.1137 392321.3 110
+  181.0975 680078.9 191
+  184.0609 245689.4 69
+  198.1238 363790.7 102
+  206.0927 265465.6 74
+  207.0763 121780.3 34
+  223.1191 257407.2 72
+  224.1031 915656.6 257
+  225.087 138291.8 38
+  231.088 131388.7 36
+  237.1237 207430.6 58
+  240.1459 137481.3 38
+  242.1136 232469.5 65
+  248.114 210730.8 59
+  280.1298 437448 123
+  476.2911 237333.1 66
+//
diff --git a/Eawag/MSBNK-EAWAG-EC086156.txt b/Eawag/MSBNK-EAWAG-EC086156.txt
new file mode 100644
index 0000000000..7feee6da10
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC086156.txt
@@ -0,0 +1,115 @@
+ACCESSION: MSBNK-EAWAG-EC086156
+RECORD_TITLE: Nodularin-R; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], K. Thomas [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.4224/crm.2013.nodr.20070214
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 861
+CH$NAME: Nodularin-R
+CH$NAME: Nodularin R
+CH$NAME: (2Z,5R,6S,9S,12S,13S,16R)-9-[3-(diaminomethylideneamino)propyl]-2-ethylidene-12-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,6,13-trimethyl-3,7,10,14,19-pentaoxo-1,4,8,11,15-pentazacyclononadecane-5,16-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C41H60N8O10
+CH$EXACT_MASS: 824.4432401
+CH$SMILES: C/C=C\1/C(=O)N[C@H]([C@@H](C(=O)N[C@H](C(=O)N[C@H]([C@@H](C(=O)N[C@H](CCC(=O)N1C)C(=O)O)C)/C=C/C(=C/[C@H](C)[C@H](CC2=CC=CC=C2)OC)/C)CCCN=C(N)N)C)C(=O)O
+CH$IUPAC: InChI=1S/C41H60N8O10/c1-8-31-38(54)48-34(40(57)58)26(5)36(52)46-29(15-12-20-44-41(42)43)37(53)45-28(25(4)35(51)47-30(39(55)56)18-19-33(50)49(31)6)17-16-23(2)21-24(3)32(59-7)22-27-13-10-9-11-14-27/h8-11,13-14,16-17,21,24-26,28-30,32,34H,12,15,18-20,22H2,1-7H3,(H,45,53)(H,46,52)(H,47,51)(H,48,54)(H,55,56)(H,57,58)(H4,42,43,44)/b17-16+,23-21+,31-8-/t24-,25-,26-,28-,29-,30+,32-,34+/m0/s1
+CH$LINK: CAS 118399-22-7
+CH$LINK: CHEBI 80043
+CH$LINK: KEGG C15713
+CH$LINK: PUBCHEM CID:14217092
+CH$LINK: INCHIKEY IXBQSRWSVIBXNC-HSKGSTCASA-N
+CH$LINK: CHEMSPIDER 10471625
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-861
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 14.543 min
+MS$FOCUSED_ION: BASE_PEAK 823.4367
+MS$FOCUSED_ION: PRECURSOR_M/Z 823.436
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-01u0-1900000000-709d9eb1e501ef5e941c
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  58.0298 C2H4NO- 1 58.0298 -1.15
+  72.0455 C3H6NO- 1 72.0455 0.56
+  73.0295 C3H5O2- 1 73.0295 -0.59
+  74.0247 C2H4NO2- 1 74.0248 -0.1
+  82.0298 C4H4NO- 1 82.0298 -0.74
+  84.0455 C4H6NO- 1 84.0455 -0.32
+  98.061 C5H8NO- 1 98.0611 -1.15
+  110.0247 C5H4NO2- 1 110.0248 -0.11
+  112.0403 C5H6NO2- 1 112.0404 -0.92
+  112.0766 C6H10NO- 1 112.0768 -1.68
+  113.0719 C5H9N2O- 1 113.072 -0.97
+  122.061 C7H8NO- 1 122.0611 -1.22
+  127.0513 C5H7N2O2- 1 127.0513 0.3
+  128.0352 C5H6NO3- 1 128.0353 -0.75
+  130.0986 C5H12N3O- 1 130.0986 -0.03
+  131.0864 C10H11- 1 131.0866 -1.42
+  137.0718 C7H9N2O- 1 137.072 -1.5
+  138.0557 C7H8NO2- 1 138.0561 -2.53
+  138.0674 C6H8N3O- 1 138.0673 0.65
+  139.051 C6H7N2O2- 1 139.0513 -1.82
+  140.0714 C7H10NO2- 1 140.0717 -2.45
+  149.0718 C8H9N2O- 1 149.072 -1.52
+  163.087 C9H11N2O- 2 163.0877 -4.5
+  168.1135 C8H14N3O- 2 168.1142 -4.53
+  178.0981 C9H12N3O- 2 178.0986 -2.89
+  180.1136 C9H14N3O- 2 180.1142 -3.51
+  181.0975 C7H11N5O- 2 181.0969 3.24
+  184.061 C8H10NO4- 2 184.0615 -2.88
+  198.1239 C7H14N6O- 2 198.1235 2.39
+  206.0925 C10H12N3O2- 2 206.0935 -4.63
+  224.1032 C8H12N6O2- 2 224.1027 1.94
+  236.1395 C10H16N6O- 2 236.1391 1.49
+  280.1297 C11H16N6O3- 2 280.1289 2.77
+  338.2227 C4H32N7O10- 5 338.2216 3.11
+PK$NUM_PEAK: 34
+PK$PEAK: m/z int. rel.int.
+  58.0298 83218.5 23
+  72.0455 210568.2 60
+  73.0295 99645.8 28
+  74.0247 300726.9 85
+  82.0298 273872.6 78
+  84.0455 555493.3 158
+  98.061 109848.5 31
+  110.0247 988741.8 282
+  112.0403 515332.1 147
+  112.0766 81526.6 23
+  113.0719 1040193.6 297
+  122.061 53878.9 15
+  127.0513 188213.2 53
+  128.0352 3496746.2 999
+  130.0986 50937.1 14
+  131.0864 373513 106
+  137.0718 851984.9 243
+  138.0557 491213.4 140
+  138.0674 265464.4 75
+  139.051 260856 74
+  140.0714 113774.8 32
+  149.0718 195955.2 55
+  163.087 148325.7 42
+  168.1135 183197.3 52
+  178.0981 153330 43
+  180.1136 746671.3 213
+  181.0975 932745.6 266
+  184.061 70059.9 20
+  198.1239 567610.4 162
+  206.0925 233277.3 66
+  224.1032 383859.1 109
+  236.1395 106345.1 30
+  280.1297 103365.8 29
+  338.2227 248027.3 70
+//
diff --git a/Eawag/MSBNK-EAWAG-EC086157.txt b/Eawag/MSBNK-EAWAG-EC086157.txt
new file mode 100644
index 0000000000..83ee040743
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC086157.txt
@@ -0,0 +1,119 @@
+ACCESSION: MSBNK-EAWAG-EC086157
+RECORD_TITLE: Nodularin-R; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], K. Thomas [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.4224/crm.2013.nodr.20070214
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 861
+CH$NAME: Nodularin-R
+CH$NAME: Nodularin R
+CH$NAME: (2Z,5R,6S,9S,12S,13S,16R)-9-[3-(diaminomethylideneamino)propyl]-2-ethylidene-12-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,6,13-trimethyl-3,7,10,14,19-pentaoxo-1,4,8,11,15-pentazacyclononadecane-5,16-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C41H60N8O10
+CH$EXACT_MASS: 824.4432401
+CH$SMILES: C/C=C\1/C(=O)N[C@H]([C@@H](C(=O)N[C@H](C(=O)N[C@H]([C@@H](C(=O)N[C@H](CCC(=O)N1C)C(=O)O)C)/C=C/C(=C/[C@H](C)[C@H](CC2=CC=CC=C2)OC)/C)CCCN=C(N)N)C)C(=O)O
+CH$IUPAC: InChI=1S/C41H60N8O10/c1-8-31-38(54)48-34(40(57)58)26(5)36(52)46-29(15-12-20-44-41(42)43)37(53)45-28(25(4)35(51)47-30(39(55)56)18-19-33(50)49(31)6)17-16-23(2)21-24(3)32(59-7)22-27-13-10-9-11-14-27/h8-11,13-14,16-17,21,24-26,28-30,32,34H,12,15,18-20,22H2,1-7H3,(H,45,53)(H,46,52)(H,47,51)(H,48,54)(H,55,56)(H,57,58)(H4,42,43,44)/b17-16+,23-21+,31-8-/t24-,25-,26-,28-,29-,30+,32-,34+/m0/s1
+CH$LINK: CAS 118399-22-7
+CH$LINK: CHEBI 80043
+CH$LINK: KEGG C15713
+CH$LINK: PUBCHEM CID:14217092
+CH$LINK: INCHIKEY IXBQSRWSVIBXNC-HSKGSTCASA-N
+CH$LINK: CHEMSPIDER 10471625
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-861
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 14.543 min
+MS$FOCUSED_ION: BASE_PEAK 823.4367
+MS$FOCUSED_ION: PRECURSOR_M/Z 823.436
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03gi-1900000000-40a252aeb99ccbac4bc1
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  55.0189 C3H3O- 1 55.0189 0.06
+  58.0298 C2H4NO- 1 58.0298 -0.23
+  72.0454 C3H6NO- 1 72.0455 -0.71
+  73.0294 C3H5O2- 1 73.0295 -1.11
+  74.0247 C2H4NO2- 1 74.0248 -0.92
+  82.0298 C4H4NO- 1 82.0298 -0.74
+  84.0455 C4H6NO- 1 84.0455 -0.41
+  98.061 C5H8NO- 1 98.0611 -1.46
+  110.0247 C5H4NO2- 1 110.0248 -0.53
+  111.0565 C5H7N2O- 1 111.0564 1.09
+  112.0404 C5H6NO2- 1 112.0404 -0.24
+  112.0769 C6H10NO- 1 112.0768 1.18
+  113.0719 C5H9N2O- 1 113.072 -0.97
+  122.0485 C6H6N2O- 1 122.0486 -0.13
+  122.0975 C8H12N- 1 122.0975 -0.22
+  124.0399 C6H6NO2- 1 124.0404 -3.81
+  127.0512 C5H7N2O2- 1 127.0513 -0.73
+  128.0352 C5H6NO3- 1 128.0353 -0.87
+  130.0984 C5H12N3O- 1 130.0986 -1.44
+  131.0865 C10H11- 1 131.0866 -1.31
+  137.0717 C7H9N2O- 1 137.072 -2.5
+  138.0558 C7H8NO2- 1 138.0561 -1.98
+  138.0675 C6H8N3O- 1 138.0673 1.64
+  139.051 C6H7N2O2- 1 139.0513 -2.15
+  139.0873 C7H11N2O- 1 139.0877 -2.54
+  150.056 C8H8NO2- 1 150.0561 -0.3
+  151.0874 C8H11N2O- 1 151.0877 -2.11
+  154.0985 C7H12N3O- 1 154.0986 -0.65
+  164.0715 C9H10NO2- 1 164.0717 -1.51
+  168.1135 C8H14N3O- 2 168.1142 -4.08
+  179.082 C7H9N5O- 2 179.0813 4.37
+  180.1137 C9H14N3O- 2 180.1142 -3.01
+  181.0976 C7H11N5O- 2 181.0969 3.75
+  186.1243 C8H16N3O2- 2 186.1248 -2.65
+  198.1241 C7H14N6O- 2 198.1235 3.24
+  206.0926 C10H12N3O2- 2 206.0935 -4.55
+PK$NUM_PEAK: 36
+PK$PEAK: m/z int. rel.int.
+  55.0189 156736.2 63
+  58.0298 137847.7 55
+  72.0454 302560.6 122
+  73.0294 106894.4 43
+  74.0247 295466.3 119
+  82.0298 330165.8 133
+  84.0455 554358.6 224
+  98.061 97089 39
+  110.0247 1171748.4 473
+  111.0565 44104.1 17
+  112.0404 546160.1 220
+  112.0769 131464.8 53
+  113.0719 994553.9 402
+  122.0485 125489.2 50
+  122.0975 127068.8 51
+  124.0399 96991.9 39
+  127.0512 171159.7 69
+  128.0352 2470312.2 999
+  130.0984 111016.3 44
+  131.0865 220053.1 88
+  137.0717 582109.2 235
+  138.0558 424877.2 171
+  138.0675 96021.4 38
+  139.051 212065.5 85
+  139.0873 62475.4 25
+  150.056 65881.8 26
+  151.0874 77053.9 31
+  154.0985 103259.9 41
+  164.0715 153593.7 62
+  168.1135 260430.9 105
+  179.082 64566.8 26
+  180.1137 569976.6 230
+  181.0976 747455.6 302
+  186.1243 76550.7 30
+  198.1241 320910.8 129
+  206.0926 141564.6 57
+//
diff --git a/Eawag/MSBNK-EAWAG-EC086158.txt b/Eawag/MSBNK-EAWAG-EC086158.txt
new file mode 100644
index 0000000000..9837f76b29
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC086158.txt
@@ -0,0 +1,103 @@
+ACCESSION: MSBNK-EAWAG-EC086158
+RECORD_TITLE: Nodularin-R; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], K. Thomas [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.4224/crm.2013.nodr.20070214
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 861
+CH$NAME: Nodularin-R
+CH$NAME: Nodularin R
+CH$NAME: (2Z,5R,6S,9S,12S,13S,16R)-9-[3-(diaminomethylideneamino)propyl]-2-ethylidene-12-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,6,13-trimethyl-3,7,10,14,19-pentaoxo-1,4,8,11,15-pentazacyclononadecane-5,16-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C41H60N8O10
+CH$EXACT_MASS: 824.4432401
+CH$SMILES: C/C=C\1/C(=O)N[C@H]([C@@H](C(=O)N[C@H](C(=O)N[C@H]([C@@H](C(=O)N[C@H](CCC(=O)N1C)C(=O)O)C)/C=C/C(=C/[C@H](C)[C@H](CC2=CC=CC=C2)OC)/C)CCCN=C(N)N)C)C(=O)O
+CH$IUPAC: InChI=1S/C41H60N8O10/c1-8-31-38(54)48-34(40(57)58)26(5)36(52)46-29(15-12-20-44-41(42)43)37(53)45-28(25(4)35(51)47-30(39(55)56)18-19-33(50)49(31)6)17-16-23(2)21-24(3)32(59-7)22-27-13-10-9-11-14-27/h8-11,13-14,16-17,21,24-26,28-30,32,34H,12,15,18-20,22H2,1-7H3,(H,45,53)(H,46,52)(H,47,51)(H,48,54)(H,55,56)(H,57,58)(H4,42,43,44)/b17-16+,23-21+,31-8-/t24-,25-,26-,28-,29-,30+,32-,34+/m0/s1
+CH$LINK: CAS 118399-22-7
+CH$LINK: CHEBI 80043
+CH$LINK: KEGG C15713
+CH$LINK: PUBCHEM CID:14217092
+CH$LINK: INCHIKEY IXBQSRWSVIBXNC-HSKGSTCASA-N
+CH$LINK: CHEMSPIDER 10471625
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-861
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 14.543 min
+MS$FOCUSED_ION: BASE_PEAK 823.4367
+MS$FOCUSED_ION: PRECURSOR_M/Z 823.436
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03fr-3900000000-da82f94f74de15a6efa4
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  55.0189 C3H3O- 1 55.0189 -1.46
+  58.0298 C2H4NO- 1 58.0298 -1.02
+  66.0349 C4H4N- 1 66.0349 -0.57
+  72.0455 C3H6NO- 1 72.0455 0.24
+  73.0294 C3H5O2- 1 73.0295 -1.21
+  74.0247 C2H4NO2- 1 74.0248 -0.61
+  82.0298 C4H4NO- 1 82.0298 -0.74
+  84.0454 C4H6NO- 1 84.0455 -0.5
+  110.0247 C5H4NO2- 1 110.0248 -0.87
+  111.0567 C5H7N2O- 1 111.0564 2.74
+  112.0404 C5H6NO2- 1 112.0404 -0.03
+  113.0719 C5H9N2O- 1 113.072 -0.77
+  122.0485 C6H6N2O- 1 122.0486 -0.44
+  123.0325 C6H5NO2- 1 123.0326 -0.73
+  127.051 C5H7N2O2- 1 127.0513 -2.11
+  128.0352 C5H6NO3- 1 128.0353 -1.11
+  130.0981 C5H12N3O- 1 130.0986 -3.43
+  131.0864 C10H11- 1 131.0866 -1.89
+  136.0768 C8H10NO- 1 136.0768 0.35
+  137.0719 C7H9N2O- 1 137.072 -0.83
+  138.0559 C7H8NO2- 1 138.0561 -1.32
+  139.051 C6H7N2O2- 1 139.0513 -2.48
+  153.1032 C8H13N2O- 1 153.1033 -0.61
+  163.0873 C9H11N2O- 1 163.0877 -2.35
+  168.1139 C8H14N3O- 1 168.1142 -1.99
+  180.1136 C9H14N3O- 2 180.1142 -3.77
+  181.0977 C7H11N5O- 2 181.0969 4.42
+  206.0932 C10H12N3O2- 2 206.0935 -1.52
+PK$NUM_PEAK: 28
+PK$PEAK: m/z int. rel.int.
+  55.0189 172597.3 128
+  58.0298 128685.9 95
+  66.0349 88095.4 65
+  72.0455 336646.5 250
+  73.0294 96106.3 71
+  74.0247 294671.2 219
+  82.0298 284676.6 211
+  84.0454 476933.2 354
+  110.0247 1022197.2 760
+  111.0567 33126.4 24
+  112.0404 363607.3 270
+  113.0719 516222.9 383
+  122.0485 113771.8 84
+  123.0325 133843.8 99
+  127.051 109931.7 81
+  128.0352 1343143 999
+  130.0981 90059.8 66
+  131.0864 74034.6 55
+  136.0768 52842.4 39
+  137.0719 299645.8 222
+  138.0559 287800.1 214
+  139.051 139955.8 104
+  153.1032 119325.1 88
+  163.0873 58615.4 43
+  168.1139 182660.1 135
+  180.1136 222898.9 165
+  181.0977 408125.9 303
+  206.0932 61883.5 46
+//
diff --git a/Eawag/MSBNK-EAWAG-EC086159.txt b/Eawag/MSBNK-EAWAG-EC086159.txt
new file mode 100644
index 0000000000..84ae3a3a44
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC086159.txt
@@ -0,0 +1,85 @@
+ACCESSION: MSBNK-EAWAG-EC086159
+RECORD_TITLE: Nodularin-R; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], K. Thomas [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.4224/crm.2013.nodr.20070214
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 861
+CH$NAME: Nodularin-R
+CH$NAME: Nodularin R
+CH$NAME: (2Z,5R,6S,9S,12S,13S,16R)-9-[3-(diaminomethylideneamino)propyl]-2-ethylidene-12-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,6,13-trimethyl-3,7,10,14,19-pentaoxo-1,4,8,11,15-pentazacyclononadecane-5,16-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C41H60N8O10
+CH$EXACT_MASS: 824.4432401
+CH$SMILES: C/C=C\1/C(=O)N[C@H]([C@@H](C(=O)N[C@H](C(=O)N[C@H]([C@@H](C(=O)N[C@H](CCC(=O)N1C)C(=O)O)C)/C=C/C(=C/[C@H](C)[C@H](CC2=CC=CC=C2)OC)/C)CCCN=C(N)N)C)C(=O)O
+CH$IUPAC: InChI=1S/C41H60N8O10/c1-8-31-38(54)48-34(40(57)58)26(5)36(52)46-29(15-12-20-44-41(42)43)37(53)45-28(25(4)35(51)47-30(39(55)56)18-19-33(50)49(31)6)17-16-23(2)21-24(3)32(59-7)22-27-13-10-9-11-14-27/h8-11,13-14,16-17,21,24-26,28-30,32,34H,12,15,18-20,22H2,1-7H3,(H,45,53)(H,46,52)(H,47,51)(H,48,54)(H,55,56)(H,57,58)(H4,42,43,44)/b17-16+,23-21+,31-8-/t24-,25-,26-,28-,29-,30+,32-,34+/m0/s1
+CH$LINK: CAS 118399-22-7
+CH$LINK: CHEBI 80043
+CH$LINK: KEGG C15713
+CH$LINK: PUBCHEM CID:14217092
+CH$LINK: INCHIKEY IXBQSRWSVIBXNC-HSKGSTCASA-N
+CH$LINK: CHEMSPIDER 10471625
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-861
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 14.543 min
+MS$FOCUSED_ION: BASE_PEAK 823.4367
+MS$FOCUSED_ION: PRECURSOR_M/Z 823.436
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03fr-4900000000-97ff64ba9d5f857557b2
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  55.0189 C3H3O- 1 55.0189 -1.39
+  58.0298 C2H4NO- 1 58.0298 -0.49
+  58.0412 CH4N3- 1 58.0411 2.29
+  66.0349 C4H4N- 1 66.0349 -0.45
+  72.0454 C3H6NO- 1 72.0455 -0.92
+  74.0247 C2H4NO2- 1 74.0248 -0.1
+  82.0299 C4H4NO- 1 82.0298 0.37
+  84.0454 C4H6NO- 1 84.0455 -0.5
+  110.0246 C5H4NO2- 1 110.0248 -1.15
+  112.0403 C5H6NO2- 1 112.0404 -0.78
+  113.0719 C5H9N2O- 1 113.072 -0.97
+  123.0324 C6H5NO2- 1 123.0326 -1.04
+  128.0352 C5H6NO3- 1 128.0353 -1.11
+  135.0567 C7H7N2O- 1 135.0564 2.38
+  137.0485 C7H7NO2- 1 137.0482 1.77
+  137.0718 C7H9N2O- 1 137.072 -1.39
+  138.0559 C7H8NO2- 1 138.0561 -1.21
+  164.0713 C9H10NO2- 1 164.0717 -2.34
+  181.0973 C7H11N5O- 1 181.0969 2.32
+PK$NUM_PEAK: 19
+PK$PEAK: m/z int. rel.int.
+  55.0189 190229 228
+  58.0298 99852.3 120
+  58.0412 70054.2 84
+  66.0349 89492.9 107
+  72.0454 271246 326
+  74.0247 243177.1 292
+  82.0299 230298.8 276
+  84.0454 366165.8 440
+  110.0246 830731.8 999
+  112.0403 246716.1 296
+  113.0719 312216 375
+  123.0324 141001.9 169
+  128.0352 760897.4 915
+  135.0567 47991.6 57
+  137.0485 90002.1 108
+  137.0718 134609 161
+  138.0559 208137.8 250
+  164.0713 93007 111
+  181.0973 173954.6 209
+//
diff --git a/Eawag/MSBNK-EAWAG-EC089801.txt b/Eawag/MSBNK-EAWAG-EC089801.txt
new file mode 100644
index 0000000000..3aecae495f
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC089801.txt
@@ -0,0 +1,48 @@
+ACCESSION: MSBNK-EAWAG-EC089801
+RECORD_TITLE: Microginin 756; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1111/j.1574-6941.2012.01439.x
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 898
+CH$NAME: Microginin 756
+CH$NAME: 2-(2-(2-(3-amino-2-hydroxydecanamido)-3-methylbutanamido)-4-methylpentanamido)-4-(4-hydroxyphenyl)butanoyl)tyrosine
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C40H61N5O9
+CH$EXACT_MASS: 755.4469285
+CH$SMILES: O=C(NC(CC1=CC=C(O)C=C1)C(O)=O)C(CCC2=CC=C(O)C=C2)NC(C(CC(C)C)NC(C(C(C)C)NC(C(O)C(N[H])CCCCCCC)=O)=O)=O
+CH$IUPAC: InChI=1S/C40H61N5O9/c1-6-7-8-9-10-11-30(41)35(48)39(52)45-34(25(4)5)38(51)43-32(22-24(2)3)37(50)42-31(21-16-26-12-17-28(46)18-13-26)36(49)44-33(40(53)54)23-27-14-19-29(47)20-15-27/h12-15,17-20,24-25,30-35,46-48H,6-11,16,21-23,41H2,1-5H3,(H,42,50)(H,43,51)(H,44,49)(H,45,52)(H,53,54)
+CH$LINK: PUBCHEM CID:146683731
+CH$LINK: INCHIKEY IFKUPHYTIDOPIM-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-793
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.250 min
+MS$FOCUSED_ION: BASE_PEAK 770.4696
+MS$FOCUSED_ION: PRECURSOR_M/Z 756.4542
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0002-0009010000-89603c7b046d2e58ddc6
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  398.3011 C21H40N3O4+ 2 398.3013 -0.49
+  472.2436 C25H34N3O6+ 3 472.2442 -1.22
+  575.3806 C31H51N4O6+ 3 575.3803 0.43
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  398.3011 19481788 999
+  472.2436 425349.3 21
+  575.3806 3878260.5 198
+//
diff --git a/Eawag/MSBNK-EAWAG-EC089802.txt b/Eawag/MSBNK-EAWAG-EC089802.txt
new file mode 100644
index 0000000000..2b1215a75d
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC089802.txt
@@ -0,0 +1,56 @@
+ACCESSION: MSBNK-EAWAG-EC089802
+RECORD_TITLE: Microginin 756; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1111/j.1574-6941.2012.01439.x
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 898
+CH$NAME: Microginin 756
+CH$NAME: 2-(2-(2-(3-amino-2-hydroxydecanamido)-3-methylbutanamido)-4-methylpentanamido)-4-(4-hydroxyphenyl)butanoyl)tyrosine
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C40H61N5O9
+CH$EXACT_MASS: 755.4469285
+CH$SMILES: O=C(NC(CC1=CC=C(O)C=C1)C(O)=O)C(CCC2=CC=C(O)C=C2)NC(C(CC(C)C)NC(C(C(C)C)NC(C(O)C(N[H])CCCCCCC)=O)=O)=O
+CH$IUPAC: InChI=1S/C40H61N5O9/c1-6-7-8-9-10-11-30(41)35(48)39(52)45-34(25(4)5)38(51)43-32(22-24(2)3)37(50)42-31(21-16-26-12-17-28(46)18-13-26)36(49)44-33(40(53)54)23-27-14-19-29(47)20-15-27/h12-15,17-20,24-25,30-35,46-48H,6-11,16,21-23,41H2,1-5H3,(H,42,50)(H,43,51)(H,44,49)(H,45,52)(H,53,54)
+CH$LINK: PUBCHEM CID:146683731
+CH$LINK: INCHIKEY IFKUPHYTIDOPIM-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-793
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.250 min
+MS$FOCUSED_ION: BASE_PEAK 770.4696
+MS$FOCUSED_ION: PRECURSOR_M/Z 756.4542
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0002-0009010000-e0aac521cd06235e3bd5
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  86.0964 C5H12N+ 1 86.0964 -0.36
+  132.1017 C6H14NO2+ 1 132.1019 -1.57
+  150.0915 C9H12NO+ 1 150.0913 0.8
+  267.2065 C15H27N2O2+ 2 267.2067 -0.64
+  398.301 C21H40N3O4+ 2 398.3013 -0.95
+  472.2437 C25H34N3O6+ 3 472.2442 -1.02
+  575.3804 C31H51N4O6+ 4 575.3803 0.11
+PK$NUM_PEAK: 7
+PK$PEAK: m/z int. rel.int.
+  86.0964 1310451 58
+  132.1017 562313.5 24
+  150.0915 365265.3 16
+  267.2065 774427.4 34
+  398.301 22506100 999
+  472.2437 457699.5 20
+  575.3804 3711224.8 164
+//
diff --git a/Eawag/MSBNK-EAWAG-EC089803.txt b/Eawag/MSBNK-EAWAG-EC089803.txt
new file mode 100644
index 0000000000..48be84b9f0
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC089803.txt
@@ -0,0 +1,74 @@
+ACCESSION: MSBNK-EAWAG-EC089803
+RECORD_TITLE: Microginin 756; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1111/j.1574-6941.2012.01439.x
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 898
+CH$NAME: Microginin 756
+CH$NAME: 2-(2-(2-(3-amino-2-hydroxydecanamido)-3-methylbutanamido)-4-methylpentanamido)-4-(4-hydroxyphenyl)butanoyl)tyrosine
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C40H61N5O9
+CH$EXACT_MASS: 755.4469285
+CH$SMILES: O=C(NC(CC1=CC=C(O)C=C1)C(O)=O)C(CCC2=CC=C(O)C=C2)NC(C(CC(C)C)NC(C(C(C)C)NC(C(O)C(N[H])CCCCCCC)=O)=O)=O
+CH$IUPAC: InChI=1S/C40H61N5O9/c1-6-7-8-9-10-11-30(41)35(48)39(52)45-34(25(4)5)38(51)43-32(22-24(2)3)37(50)42-31(21-16-26-12-17-28(46)18-13-26)36(49)44-33(40(53)54)23-27-14-19-29(47)20-15-27/h12-15,17-20,24-25,30-35,46-48H,6-11,16,21-23,41H2,1-5H3,(H,42,50)(H,43,51)(H,44,49)(H,45,52)(H,53,54)
+CH$LINK: PUBCHEM CID:146683731
+CH$LINK: INCHIKEY IFKUPHYTIDOPIM-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-793
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.250 min
+MS$FOCUSED_ION: BASE_PEAK 770.4696
+MS$FOCUSED_ION: PRECURSOR_M/Z 756.4542
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0002-3329000000-7aa6354fee3091ffa04b
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  86.0965 C5H12N+ 1 86.0964 0.44
+  128.1433 C8H18N+ 1 128.1434 -0.61
+  132.1018 C6H14NO2+ 1 132.1019 -0.99
+  150.0911 C9H12NO+ 1 150.0913 -1.64
+  158.1538 C9H20NO+ 1 158.1539 -0.58
+  168.1377 C10H18NO+ 2 168.1383 -3.24
+  196.1329 C11H18NO2+ 1 196.1332 -1.66
+  206.0809 C11H12NO3+ 1 206.0812 -1.41
+  239.2111 C12H25N5+ 2 239.2104 2.76
+  267.2064 C15H27N2O2+ 2 267.2067 -0.98
+  285.2168 C15H29N2O3+ 2 285.2173 -1.69
+  335.2333 C19H31N2O3+ 1 335.2329 1.07
+  370.306 C20H40N3O3+ 2 370.3064 -1.18
+  380.2907 C21H38N3O3+ 2 380.2908 -0.15
+  398.3013 C21H40N3O4+ 2 398.3013 -0.19
+  462.2975 C25H40N3O5+ 3 462.2962 2.68
+PK$NUM_PEAK: 16
+PK$PEAK: m/z int. rel.int.
+  86.0965 6010712 434
+  128.1433 1535060.1 111
+  132.1018 1438871.6 104
+  150.0911 917892.4 66
+  158.1538 309705.9 22
+  168.1377 757381.4 54
+  196.1329 153866.2 11
+  206.0809 495310.2 35
+  239.2111 483985.2 35
+  267.2064 1928058.4 139
+  285.2168 680739.1 49
+  335.2333 318677.6 23
+  370.306 168696.7 12
+  380.2907 526768.1 38
+  398.3013 13812510 999
+  462.2975 824123.5 59
+//
diff --git a/Eawag/MSBNK-EAWAG-EC089804.txt b/Eawag/MSBNK-EAWAG-EC089804.txt
new file mode 100644
index 0000000000..1432931c02
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC089804.txt
@@ -0,0 +1,80 @@
+ACCESSION: MSBNK-EAWAG-EC089804
+RECORD_TITLE: Microginin 756; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1111/j.1574-6941.2012.01439.x
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 898
+CH$NAME: Microginin 756
+CH$NAME: 2-(2-(2-(3-amino-2-hydroxydecanamido)-3-methylbutanamido)-4-methylpentanamido)-4-(4-hydroxyphenyl)butanoyl)tyrosine
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C40H61N5O9
+CH$EXACT_MASS: 755.4469285
+CH$SMILES: O=C(NC(CC1=CC=C(O)C=C1)C(O)=O)C(CCC2=CC=C(O)C=C2)NC(C(CC(C)C)NC(C(C(C)C)NC(C(O)C(N[H])CCCCCCC)=O)=O)=O
+CH$IUPAC: InChI=1S/C40H61N5O9/c1-6-7-8-9-10-11-30(41)35(48)39(52)45-34(25(4)5)38(51)43-32(22-24(2)3)37(50)42-31(21-16-26-12-17-28(46)18-13-26)36(49)44-33(40(53)54)23-27-14-19-29(47)20-15-27/h12-15,17-20,24-25,30-35,46-48H,6-11,16,21-23,41H2,1-5H3,(H,42,50)(H,43,51)(H,44,49)(H,45,52)(H,53,54)
+CH$LINK: PUBCHEM CID:146683731
+CH$LINK: INCHIKEY IFKUPHYTIDOPIM-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-793
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.250 min
+MS$FOCUSED_ION: BASE_PEAK 770.4696
+MS$FOCUSED_ION: PRECURSOR_M/Z 756.4542
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-000i-9735000000-04c7731f25b658317507
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  86.0965 C5H12N+ 1 86.0964 0.35
+  128.1433 C8H18N+ 1 128.1434 -0.85
+  132.1018 C6H14NO2+ 1 132.1019 -0.88
+  140.1433 C9H18N+ 1 140.1434 -0.48
+  150.0912 C9H12NO+ 1 150.0913 -1.13
+  158.1537 C9H20NO+ 1 158.1539 -1.35
+  168.1377 C10H18NO+ 2 168.1383 -3.24
+  196.1324 C11H18NO2+ 2 196.1332 -3.92
+  206.0803 C11H12NO3+ 2 206.0812 -4.22
+  221.2014 C14H25N2+ 1 221.2012 0.97
+  231.1694 C11H23N2O3+ 2 231.1703 -3.9
+  257.2226 C14H29N2O2+ 1 257.2224 0.8
+  267.2063 C15H27N2O2+ 2 267.2067 -1.55
+  271.1649 C13H23N2O4+ 2 271.1652 -1.24
+  285.2174 C15H29N2O3+ 1 285.2173 0.56
+  335.2329 C19H31N2O3+ 2 335.2329 0.07
+  359.1596 C19H23N2O5+ 2 359.1601 -1.58
+  380.2903 C21H38N3O3+ 2 380.2908 -1.11
+  398.3011 C21H40N3O4+ 2 398.3013 -0.57
+PK$NUM_PEAK: 19
+PK$PEAK: m/z int. rel.int.
+  86.0965 11277556 999
+  128.1433 4133759.8 366
+  132.1018 1791304 158
+  140.1433 177513.3 15
+  150.0912 1142884.5 101
+  158.1537 548665.6 48
+  168.1377 1371734.9 121
+  196.1324 362920.7 32
+  206.0803 490179.9 43
+  221.2014 138902.6 12
+  231.1694 400925.6 35
+  257.2226 167995.6 14
+  267.2063 1882369.2 166
+  271.1649 1215850.2 107
+  285.2174 662936.4 58
+  335.2329 512029.8 45
+  359.1596 529601.6 46
+  380.2903 329041.2 29
+  398.3011 5199061 460
+//
diff --git a/Eawag/MSBNK-EAWAG-EC089805.txt b/Eawag/MSBNK-EAWAG-EC089805.txt
new file mode 100644
index 0000000000..564b343ff2
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC089805.txt
@@ -0,0 +1,70 @@
+ACCESSION: MSBNK-EAWAG-EC089805
+RECORD_TITLE: Microginin 756; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1111/j.1574-6941.2012.01439.x
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 898
+CH$NAME: Microginin 756
+CH$NAME: 2-(2-(2-(3-amino-2-hydroxydecanamido)-3-methylbutanamido)-4-methylpentanamido)-4-(4-hydroxyphenyl)butanoyl)tyrosine
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C40H61N5O9
+CH$EXACT_MASS: 755.4469285
+CH$SMILES: O=C(NC(CC1=CC=C(O)C=C1)C(O)=O)C(CCC2=CC=C(O)C=C2)NC(C(CC(C)C)NC(C(C(C)C)NC(C(O)C(N[H])CCCCCCC)=O)=O)=O
+CH$IUPAC: InChI=1S/C40H61N5O9/c1-6-7-8-9-10-11-30(41)35(48)39(52)45-34(25(4)5)38(51)43-32(22-24(2)3)37(50)42-31(21-16-26-12-17-28(46)18-13-26)36(49)44-33(40(53)54)23-27-14-19-29(47)20-15-27/h12-15,17-20,24-25,30-35,46-48H,6-11,16,21-23,41H2,1-5H3,(H,42,50)(H,43,51)(H,44,49)(H,45,52)(H,53,54)
+CH$LINK: PUBCHEM CID:146683731
+CH$LINK: INCHIKEY IFKUPHYTIDOPIM-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-793
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.250 min
+MS$FOCUSED_ION: BASE_PEAK 770.4696
+MS$FOCUSED_ION: PRECURSOR_M/Z 756.4542
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-002r-8900000000-52b782ae38cf92395b68
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  86.0964 C5H12N+ 1 86.0964 0.26
+  114.0913 C6H12NO+ 1 114.0913 -0.75
+  128.1432 C8H18N+ 1 128.1434 -1.08
+  130.0862 C6H12NO2+ 1 130.0863 -0.78
+  132.1017 C6H14NO2+ 1 132.1019 -1.22
+  140.1431 C9H18N+ 1 140.1434 -2
+  150.0911 C9H12NO+ 1 150.0913 -1.54
+  158.1536 C9H20NO+ 1 158.1539 -2.41
+  168.1378 C10H18NO+ 1 168.1383 -2.79
+  178.0854 C10H12NO2+ 2 178.0863 -4.81
+  196.1328 C11H18NO2+ 2 196.1332 -1.89
+  221.2007 C14H25N2+ 1 221.2012 -2.35
+  239.211 C12H25N5+ 2 239.2104 2.12
+  267.2062 C15H27N2O2+ 2 267.2067 -1.78
+PK$NUM_PEAK: 14
+PK$PEAK: m/z int. rel.int.
+  86.0964 14655209 999
+  114.0913 251056.2 17
+  128.1432 8671334 591
+  130.0862 462925.5 31
+  132.1017 1254874.4 85
+  140.1431 302889.2 20
+  150.0911 2167624.5 147
+  158.1536 665581.4 45
+  168.1378 1131122.1 77
+  178.0854 470965.1 32
+  196.1328 457163.6 31
+  221.2007 169838.1 11
+  239.211 401482.1 27
+  267.2062 414539.4 28
+//
diff --git a/Eawag/MSBNK-EAWAG-EC089806.txt b/Eawag/MSBNK-EAWAG-EC089806.txt
new file mode 100644
index 0000000000..025f4e8efc
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC089806.txt
@@ -0,0 +1,70 @@
+ACCESSION: MSBNK-EAWAG-EC089806
+RECORD_TITLE: Microginin 756; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1111/j.1574-6941.2012.01439.x
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 898
+CH$NAME: Microginin 756
+CH$NAME: 2-(2-(2-(3-amino-2-hydroxydecanamido)-3-methylbutanamido)-4-methylpentanamido)-4-(4-hydroxyphenyl)butanoyl)tyrosine
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C40H61N5O9
+CH$EXACT_MASS: 755.4469285
+CH$SMILES: O=C(NC(CC1=CC=C(O)C=C1)C(O)=O)C(CCC2=CC=C(O)C=C2)NC(C(CC(C)C)NC(C(C(C)C)NC(C(O)C(N[H])CCCCCCC)=O)=O)=O
+CH$IUPAC: InChI=1S/C40H61N5O9/c1-6-7-8-9-10-11-30(41)35(48)39(52)45-34(25(4)5)38(51)43-32(22-24(2)3)37(50)42-31(21-16-26-12-17-28(46)18-13-26)36(49)44-33(40(53)54)23-27-14-19-29(47)20-15-27/h12-15,17-20,24-25,30-35,46-48H,6-11,16,21-23,41H2,1-5H3,(H,42,50)(H,43,51)(H,44,49)(H,45,52)(H,53,54)
+CH$LINK: PUBCHEM CID:146683731
+CH$LINK: INCHIKEY IFKUPHYTIDOPIM-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-793
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.250 min
+MS$FOCUSED_ION: BASE_PEAK 770.4696
+MS$FOCUSED_ION: PRECURSOR_M/Z 756.4542
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-002r-8900000000-680076de1228cdc5e6d1
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  55.0543 C4H7+ 1 55.0542 0.79
+  69.0699 C5H9+ 1 69.0699 0.91
+  72.0809 C4H10N+ 1 72.0808 1.34
+  86.0965 C5H12N+ 1 86.0964 0.61
+  114.0914 C6H12NO+ 1 114.0913 0.39
+  121.0647 C8H9O+ 1 121.0648 -0.74
+  128.1433 C8H18N+ 1 128.1434 -0.73
+  130.0862 C6H12NO2+ 1 130.0863 -0.55
+  132.1018 C6H14NO2+ 1 132.1019 -1.11
+  150.0911 C9H12NO+ 1 150.0913 -1.54
+  158.1534 C9H20NO+ 1 158.1539 -3.18
+  168.1378 C10H18NO+ 1 168.1383 -2.79
+  178.0858 C10H12NO2+ 1 178.0863 -2.41
+  196.1326 C11H18NO2+ 2 196.1332 -3.14
+PK$NUM_PEAK: 14
+PK$PEAK: m/z int. rel.int.
+  55.0543 349403.8 27
+  69.0699 500334 38
+  72.0809 1405799.5 109
+  86.0965 12857403 999
+  114.0914 338241.6 26
+  121.0647 170517.4 13
+  128.1433 9462545 735
+  130.0862 839899.6 65
+  132.1018 534616.2 41
+  150.0911 2310482.5 179
+  158.1534 402870.4 31
+  168.1378 640774.4 49
+  178.0858 345110.3 26
+  196.1326 455804.9 35
+//
diff --git a/Eawag/MSBNK-EAWAG-EC089807.txt b/Eawag/MSBNK-EAWAG-EC089807.txt
new file mode 100644
index 0000000000..12aea3ba64
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC089807.txt
@@ -0,0 +1,72 @@
+ACCESSION: MSBNK-EAWAG-EC089807
+RECORD_TITLE: Microginin 756; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1111/j.1574-6941.2012.01439.x
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 898
+CH$NAME: Microginin 756
+CH$NAME: 2-(2-(2-(3-amino-2-hydroxydecanamido)-3-methylbutanamido)-4-methylpentanamido)-4-(4-hydroxyphenyl)butanoyl)tyrosine
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C40H61N5O9
+CH$EXACT_MASS: 755.4469285
+CH$SMILES: O=C(NC(CC1=CC=C(O)C=C1)C(O)=O)C(CCC2=CC=C(O)C=C2)NC(C(CC(C)C)NC(C(C(C)C)NC(C(O)C(N[H])CCCCCCC)=O)=O)=O
+CH$IUPAC: InChI=1S/C40H61N5O9/c1-6-7-8-9-10-11-30(41)35(48)39(52)45-34(25(4)5)38(51)43-32(22-24(2)3)37(50)42-31(21-16-26-12-17-28(46)18-13-26)36(49)44-33(40(53)54)23-27-14-19-29(47)20-15-27/h12-15,17-20,24-25,30-35,46-48H,6-11,16,21-23,41H2,1-5H3,(H,42,50)(H,43,51)(H,44,49)(H,45,52)(H,53,54)
+CH$LINK: PUBCHEM CID:146683731
+CH$LINK: INCHIKEY IFKUPHYTIDOPIM-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-793
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.250 min
+MS$FOCUSED_ION: BASE_PEAK 770.4696
+MS$FOCUSED_ION: PRECURSOR_M/Z 756.4542
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-002r-9700000000-39c682dd22e40d2c7c4c
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  55.0542 C4H7+ 1 55.0542 0.38
+  69.0699 C5H9+ 1 69.0699 0.36
+  71.0731 C4H9N+ 1 71.073 1.51
+  72.0808 C4H10N+ 1 72.0808 0.81
+  86.0965 C5H12N+ 1 86.0964 0.53
+  114.0912 C6H12NO+ 1 114.0913 -1.08
+  121.0646 C8H9O+ 1 121.0648 -1.56
+  128.1433 C8H18N+ 1 128.1434 -0.85
+  130.0862 C6H12NO2+ 1 130.0863 -0.19
+  132.102 C6H14NO2+ 1 132.1019 0.63
+  140.1432 C9H18N+ 1 140.1434 -1.35
+  150.0911 C9H12NO+ 1 150.0913 -1.64
+  158.1538 C9H20NO+ 1 158.1539 -0.87
+  168.1377 C10H18NO+ 2 168.1383 -3.52
+  196.1327 C11H18NO2+ 2 196.1332 -2.36
+PK$NUM_PEAK: 15
+PK$PEAK: m/z int. rel.int.
+  55.0542 919793.9 69
+  69.0699 1211622.4 91
+  71.0731 182911 13
+  72.0808 1652480.8 125
+  86.0965 13169492 999
+  114.0912 389011.2 29
+  121.0646 302170 22
+  128.1433 8988217 681
+  130.0862 845573.2 64
+  132.102 273367.9 20
+  140.1432 213256.3 16
+  150.0911 2318694.2 175
+  158.1538 288706.2 21
+  168.1377 521920.8 39
+  196.1327 300680.2 22
+//
diff --git a/Eawag/MSBNK-EAWAG-EC089808.txt b/Eawag/MSBNK-EAWAG-EC089808.txt
new file mode 100644
index 0000000000..a6c66f1b62
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC089808.txt
@@ -0,0 +1,78 @@
+ACCESSION: MSBNK-EAWAG-EC089808
+RECORD_TITLE: Microginin 756; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1111/j.1574-6941.2012.01439.x
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 898
+CH$NAME: Microginin 756
+CH$NAME: 2-(2-(2-(3-amino-2-hydroxydecanamido)-3-methylbutanamido)-4-methylpentanamido)-4-(4-hydroxyphenyl)butanoyl)tyrosine
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C40H61N5O9
+CH$EXACT_MASS: 755.4469285
+CH$SMILES: O=C(NC(CC1=CC=C(O)C=C1)C(O)=O)C(CCC2=CC=C(O)C=C2)NC(C(CC(C)C)NC(C(C(C)C)NC(C(O)C(N[H])CCCCCCC)=O)=O)=O
+CH$IUPAC: InChI=1S/C40H61N5O9/c1-6-7-8-9-10-11-30(41)35(48)39(52)45-34(25(4)5)38(51)43-32(22-24(2)3)37(50)42-31(21-16-26-12-17-28(46)18-13-26)36(49)44-33(40(53)54)23-27-14-19-29(47)20-15-27/h12-15,17-20,24-25,30-35,46-48H,6-11,16,21-23,41H2,1-5H3,(H,42,50)(H,43,51)(H,44,49)(H,45,52)(H,53,54)
+CH$LINK: PUBCHEM CID:146683731
+CH$LINK: INCHIKEY IFKUPHYTIDOPIM-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-793
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.250 min
+MS$FOCUSED_ION: BASE_PEAK 770.4696
+MS$FOCUSED_ION: PRECURSOR_M/Z 756.4542
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-002r-9400000000-898de1884cf76af4c641
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  55.0543 C4H7+ 1 55.0542 0.72
+  57.0699 C4H9+ 1 57.0699 0.52
+  67.0543 C5H7+ 1 67.0542 0.78
+  69.0699 C5H9+ 1 69.0699 1.02
+  71.0731 C4H9N+ 1 71.073 1.4
+  72.0809 C4H10N+ 1 72.0808 1.13
+  81.0697 C6H9+ 1 81.0699 -1.69
+  84.0808 C5H10N+ 1 84.0808 0.24
+  86.0965 C5H12N+ 1 86.0964 0.61
+  114.0915 C6H12NO+ 1 114.0913 0.99
+  121.0646 C8H9O+ 1 121.0648 -1.81
+  128.1433 C8H18N+ 1 128.1434 -0.73
+  130.0861 C6H12NO2+ 1 130.0863 -1.13
+  140.1432 C9H18N+ 1 140.1434 -0.91
+  150.0911 C9H12NO+ 1 150.0913 -1.74
+  158.1536 C9H20NO+ 1 158.1539 -2.31
+  168.1381 C10H18NO+ 1 168.1383 -1.25
+  196.1327 C11H18NO2+ 2 196.1332 -2.52
+PK$NUM_PEAK: 18
+PK$PEAK: m/z int. rel.int.
+  55.0543 1626829.6 142
+  57.0699 140211.8 12
+  67.0543 153906.8 13
+  69.0699 2095678.4 183
+  71.0731 313463.1 27
+  72.0809 2097949.8 183
+  81.0697 198709.5 17
+  84.0808 163033.9 14
+  86.0965 11439424 999
+  114.0915 330177 28
+  121.0646 386446.8 33
+  128.1433 5928272 517
+  130.0861 606151.1 52
+  140.1432 144101.7 12
+  150.0911 1538106.5 134
+  158.1536 170097 14
+  168.1381 246777 21
+  196.1327 142319.5 12
+//
diff --git a/Eawag/MSBNK-EAWAG-EC089809.txt b/Eawag/MSBNK-EAWAG-EC089809.txt
new file mode 100644
index 0000000000..de58ae851c
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC089809.txt
@@ -0,0 +1,72 @@
+ACCESSION: MSBNK-EAWAG-EC089809
+RECORD_TITLE: Microginin 756; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1111/j.1574-6941.2012.01439.x
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 898
+CH$NAME: Microginin 756
+CH$NAME: 2-(2-(2-(3-amino-2-hydroxydecanamido)-3-methylbutanamido)-4-methylpentanamido)-4-(4-hydroxyphenyl)butanoyl)tyrosine
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C40H61N5O9
+CH$EXACT_MASS: 755.4469285
+CH$SMILES: O=C(NC(CC1=CC=C(O)C=C1)C(O)=O)C(CCC2=CC=C(O)C=C2)NC(C(CC(C)C)NC(C(C(C)C)NC(C(O)C(N[H])CCCCCCC)=O)=O)=O
+CH$IUPAC: InChI=1S/C40H61N5O9/c1-6-7-8-9-10-11-30(41)35(48)39(52)45-34(25(4)5)38(51)43-32(22-24(2)3)37(50)42-31(21-16-26-12-17-28(46)18-13-26)36(49)44-33(40(53)54)23-27-14-19-29(47)20-15-27/h12-15,17-20,24-25,30-35,46-48H,6-11,16,21-23,41H2,1-5H3,(H,42,50)(H,43,51)(H,44,49)(H,45,52)(H,53,54)
+CH$LINK: PUBCHEM CID:146683731
+CH$LINK: INCHIKEY IFKUPHYTIDOPIM-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-793
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.250 min
+MS$FOCUSED_ION: BASE_PEAK 770.4696
+MS$FOCUSED_ION: PRECURSOR_M/Z 756.4542
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-000i-9200000000-64624fa12df6d1948c19
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  55.0542 C4H7+ 1 55.0542 0.38
+  56.0495 C3H6N+ 1 56.0495 -0.22
+  57.07 C4H9+ 1 57.0699 1.99
+  69.0699 C5H9+ 1 69.0699 0.36
+  71.073 C4H9N+ 1 71.073 0.76
+  72.0808 C4H10N+ 1 72.0808 0.71
+  81.07 C6H9+ 1 81.0699 1.89
+  84.0808 C5H10N+ 1 84.0808 -0.21
+  86.0964 C5H12N+ 1 86.0964 0.17
+  114.0911 C6H12NO+ 1 114.0913 -1.68
+  121.0649 C8H9O+ 1 121.0648 0.64
+  128.1432 C8H18N+ 1 128.1434 -1.08
+  130.086 C6H12NO2+ 1 130.0863 -1.6
+  150.091 C9H12NO+ 1 150.0913 -2.35
+  168.1378 C10H18NO+ 1 168.1383 -2.88
+PK$NUM_PEAK: 15
+PK$PEAK: m/z int. rel.int.
+  55.0542 2181589.2 234
+  56.0495 111648.4 12
+  57.07 107119.5 11
+  69.0699 2204127 237
+  71.073 502478.7 54
+  72.0808 2092536.5 225
+  81.07 147437.5 15
+  84.0808 194500 20
+  86.0964 9276082 999
+  114.0911 236863.9 25
+  121.0649 386061 41
+  128.1432 2928309 315
+  130.086 217268.2 23
+  150.091 1074070 115
+  168.1378 161148 17
+//
diff --git a/Eawag/MSBNK-EAWAG-EC089851.txt b/Eawag/MSBNK-EAWAG-EC089851.txt
new file mode 100644
index 0000000000..627e895501
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC089851.txt
@@ -0,0 +1,44 @@
+ACCESSION: MSBNK-EAWAG-EC089851
+RECORD_TITLE: Microginin 756; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1111/j.1574-6941.2012.01439.x
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 898
+CH$NAME: Microginin 756
+CH$NAME: 2-(2-(2-(3-amino-2-hydroxydecanamido)-3-methylbutanamido)-4-methylpentanamido)-4-(4-hydroxyphenyl)butanoyl)tyrosine
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C40H61N5O9
+CH$EXACT_MASS: 755.4469285
+CH$SMILES: O=C(NC(CC1=CC=C(O)C=C1)C(O)=O)C(CCC2=CC=C(O)C=C2)NC(C(CC(C)C)NC(C(C(C)C)NC(C(O)C(N[H])CCCCCCC)=O)=O)=O
+CH$IUPAC: InChI=1S/C40H61N5O9/c1-6-7-8-9-10-11-30(41)35(48)39(52)45-34(25(4)5)38(51)43-32(22-24(2)3)37(50)42-31(21-16-26-12-17-28(46)18-13-26)36(49)44-33(40(53)54)23-27-14-19-29(47)20-15-27/h12-15,17-20,24-25,30-35,46-48H,6-11,16,21-23,41H2,1-5H3,(H,42,50)(H,43,51)(H,44,49)(H,45,52)(H,53,54)
+CH$LINK: PUBCHEM CID:146683731
+CH$LINK: INCHIKEY IFKUPHYTIDOPIM-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-791
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.263 min
+MS$FOCUSED_ION: BASE_PEAK 768.4552
+MS$FOCUSED_ION: PRECURSOR_M/Z 754.4397
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0udi-0000000900-9b1a998e33722ed66abb
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  754.4392 C40H60N5O9- 1 754.4397 -0.65
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  754.4392 8096125.5 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC089852.txt b/Eawag/MSBNK-EAWAG-EC089852.txt
new file mode 100644
index 0000000000..c4ca3ae263
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC089852.txt
@@ -0,0 +1,44 @@
+ACCESSION: MSBNK-EAWAG-EC089852
+RECORD_TITLE: Microginin 756; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1111/j.1574-6941.2012.01439.x
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 898
+CH$NAME: Microginin 756
+CH$NAME: 2-(2-(2-(3-amino-2-hydroxydecanamido)-3-methylbutanamido)-4-methylpentanamido)-4-(4-hydroxyphenyl)butanoyl)tyrosine
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C40H61N5O9
+CH$EXACT_MASS: 755.4469285
+CH$SMILES: O=C(NC(CC1=CC=C(O)C=C1)C(O)=O)C(CCC2=CC=C(O)C=C2)NC(C(CC(C)C)NC(C(C(C)C)NC(C(O)C(N[H])CCCCCCC)=O)=O)=O
+CH$IUPAC: InChI=1S/C40H61N5O9/c1-6-7-8-9-10-11-30(41)35(48)39(52)45-34(25(4)5)38(51)43-32(22-24(2)3)37(50)42-31(21-16-26-12-17-28(46)18-13-26)36(49)44-33(40(53)54)23-27-14-19-29(47)20-15-27/h12-15,17-20,24-25,30-35,46-48H,6-11,16,21-23,41H2,1-5H3,(H,42,50)(H,43,51)(H,44,49)(H,45,52)(H,53,54)
+CH$LINK: PUBCHEM CID:146683731
+CH$LINK: INCHIKEY IFKUPHYTIDOPIM-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-791
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.263 min
+MS$FOCUSED_ION: BASE_PEAK 768.4552
+MS$FOCUSED_ION: PRECURSOR_M/Z 754.4397
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0udi-0000000900-90b7ad2d4991996e6bc8
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  754.4394 C40H60N5O9- 1 754.4397 -0.32
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  754.4394 6445783.5 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC089853.txt b/Eawag/MSBNK-EAWAG-EC089853.txt
new file mode 100644
index 0000000000..b461354cc1
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC089853.txt
@@ -0,0 +1,52 @@
+ACCESSION: MSBNK-EAWAG-EC089853
+RECORD_TITLE: Microginin 756; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1111/j.1574-6941.2012.01439.x
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 898
+CH$NAME: Microginin 756
+CH$NAME: 2-(2-(2-(3-amino-2-hydroxydecanamido)-3-methylbutanamido)-4-methylpentanamido)-4-(4-hydroxyphenyl)butanoyl)tyrosine
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C40H61N5O9
+CH$EXACT_MASS: 755.4469285
+CH$SMILES: O=C(NC(CC1=CC=C(O)C=C1)C(O)=O)C(CCC2=CC=C(O)C=C2)NC(C(CC(C)C)NC(C(C(C)C)NC(C(O)C(N[H])CCCCCCC)=O)=O)=O
+CH$IUPAC: InChI=1S/C40H61N5O9/c1-6-7-8-9-10-11-30(41)35(48)39(52)45-34(25(4)5)38(51)43-32(22-24(2)3)37(50)42-31(21-16-26-12-17-28(46)18-13-26)36(49)44-33(40(53)54)23-27-14-19-29(47)20-15-27/h12-15,17-20,24-25,30-35,46-48H,6-11,16,21-23,41H2,1-5H3,(H,42,50)(H,43,51)(H,44,49)(H,45,52)(H,53,54)
+CH$LINK: PUBCHEM CID:146683731
+CH$LINK: INCHIKEY IFKUPHYTIDOPIM-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-791
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.263 min
+MS$FOCUSED_ION: BASE_PEAK 768.4552
+MS$FOCUSED_ION: PRECURSOR_M/Z 754.4397
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0udi-0000000900-2314141c4cb44a8f4041
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  180.0658 C7H8N4O2- 2 180.0653 2.68
+  357.145 C19H21N2O5- 2 357.1456 -1.67
+  427.3289 C22H43N4O4- 3 427.329 -0.15
+  648.3957 C33H54N5O8- 1 648.3978 -3.24
+  754.4393 C40H60N5O9- 1 754.4397 -0.4
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  180.0658 162321 36
+  357.145 244558.4 54
+  427.3289 130724.5 29
+  648.3957 103812.9 23
+  754.4393 4485382.5 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC089854.txt b/Eawag/MSBNK-EAWAG-EC089854.txt
new file mode 100644
index 0000000000..8c26550a48
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC089854.txt
@@ -0,0 +1,60 @@
+ACCESSION: MSBNK-EAWAG-EC089854
+RECORD_TITLE: Microginin 756; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1111/j.1574-6941.2012.01439.x
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 898
+CH$NAME: Microginin 756
+CH$NAME: 2-(2-(2-(3-amino-2-hydroxydecanamido)-3-methylbutanamido)-4-methylpentanamido)-4-(4-hydroxyphenyl)butanoyl)tyrosine
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C40H61N5O9
+CH$EXACT_MASS: 755.4469285
+CH$SMILES: O=C(NC(CC1=CC=C(O)C=C1)C(O)=O)C(CCC2=CC=C(O)C=C2)NC(C(CC(C)C)NC(C(C(C)C)NC(C(O)C(N[H])CCCCCCC)=O)=O)=O
+CH$IUPAC: InChI=1S/C40H61N5O9/c1-6-7-8-9-10-11-30(41)35(48)39(52)45-34(25(4)5)38(51)43-32(22-24(2)3)37(50)42-31(21-16-26-12-17-28(46)18-13-26)36(49)44-33(40(53)54)23-27-14-19-29(47)20-15-27/h12-15,17-20,24-25,30-35,46-48H,6-11,16,21-23,41H2,1-5H3,(H,42,50)(H,43,51)(H,44,49)(H,45,52)(H,53,54)
+CH$LINK: PUBCHEM CID:146683731
+CH$LINK: INCHIKEY IFKUPHYTIDOPIM-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-791
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.263 min
+MS$FOCUSED_ION: BASE_PEAK 768.4552
+MS$FOCUSED_ION: PRECURSOR_M/Z 754.4397
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0udi-0212000900-59254bad0bc40a68a638
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  147.0448 C9H7O2- 1 147.0452 -2.55
+  180.0657 C7H8N4O2- 2 180.0653 2.6
+  206.0454 C8H6N4O3- 2 206.0445 4.07
+  265.1909 C15H25N2O2- 2 265.1922 -4.54
+  283.2011 C12H29NO6- 2 283.2 3.69
+  357.145 C19H21N2O5- 2 357.1456 -1.58
+  573.3652 C31H49N4O6- 3 573.3658 -0.94
+  648.3979 C33H54N5O8- 2 648.3978 0.14
+  754.4393 C40H60N5O9- 1 754.4397 -0.48
+PK$NUM_PEAK: 9
+PK$PEAK: m/z int. rel.int.
+  147.0448 41384.8 20
+  180.0657 616578.1 300
+  206.0454 74565.5 36
+  265.1909 100329.7 48
+  283.2011 60910.9 29
+  357.145 569752.8 277
+  573.3652 127857 62
+  648.3979 214984.7 104
+  754.4393 2052897.2 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC089855.txt b/Eawag/MSBNK-EAWAG-EC089855.txt
new file mode 100644
index 0000000000..8a9b93515d
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC089855.txt
@@ -0,0 +1,76 @@
+ACCESSION: MSBNK-EAWAG-EC089855
+RECORD_TITLE: Microginin 756; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1111/j.1574-6941.2012.01439.x
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 898
+CH$NAME: Microginin 756
+CH$NAME: 2-(2-(2-(3-amino-2-hydroxydecanamido)-3-methylbutanamido)-4-methylpentanamido)-4-(4-hydroxyphenyl)butanoyl)tyrosine
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C40H61N5O9
+CH$EXACT_MASS: 755.4469285
+CH$SMILES: O=C(NC(CC1=CC=C(O)C=C1)C(O)=O)C(CCC2=CC=C(O)C=C2)NC(C(CC(C)C)NC(C(C(C)C)NC(C(O)C(N[H])CCCCCCC)=O)=O)=O
+CH$IUPAC: InChI=1S/C40H61N5O9/c1-6-7-8-9-10-11-30(41)35(48)39(52)45-34(25(4)5)38(51)43-32(22-24(2)3)37(50)42-31(21-16-26-12-17-28(46)18-13-26)36(49)44-33(40(53)54)23-27-14-19-29(47)20-15-27/h12-15,17-20,24-25,30-35,46-48H,6-11,16,21-23,41H2,1-5H3,(H,42,50)(H,43,51)(H,44,49)(H,45,52)(H,53,54)
+CH$LINK: PUBCHEM CID:146683731
+CH$LINK: INCHIKEY IFKUPHYTIDOPIM-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-791
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.263 min
+MS$FOCUSED_ION: BASE_PEAK 768.4552
+MS$FOCUSED_ION: PRECURSOR_M/Z 754.4397
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-001i-0971000000-fe14a917f4629d0a8047
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  126.0559 C6H8NO2- 1 126.0561 -1.22
+  129.1031 C6H13N2O- 1 129.1033 -1.65
+  130.0873 C6H12NO2- 1 130.0874 -0.49
+  134.0608 C8H8NO- 1 134.0611 -2.15
+  143.1186 C7H15N2O- 1 143.119 -2.46
+  145.0293 C9H5O2- 1 145.0295 -1.29
+  147.0447 C9H7O2- 1 147.0452 -3.07
+  162.0555 C9H8NO2- 1 162.0561 -3.13
+  176.0705 C8H8N4O- 1 176.0704 0.79
+  180.0657 C7H8N4O2- 2 180.0653 2.6
+  207.1129 C9H13N5O- 2 207.1126 1.83
+  211.1439 C9H17N5O- 1 211.1439 0.38
+  242.1864 C12H24N3O2- 1 242.1874 -4.31
+  251.103 C10H13N5O3- 2 251.1024 2.63
+  265.1909 C15H25N2O2- 2 265.1922 -4.54
+  282.1128 C15H14N4O2- 2 282.1122 2.01
+  357.145 C19H21N2O5- 2 357.1456 -1.75
+PK$NUM_PEAK: 17
+PK$PEAK: m/z int. rel.int.
+  126.0559 195627.6 142
+  129.1031 176459.7 128
+  130.0873 80159.4 58
+  134.0608 289376.4 211
+  143.1186 385301.7 281
+  145.0293 102804.7 75
+  147.0447 139665.2 101
+  162.0555 86690.4 63
+  176.0705 93196.9 68
+  180.0657 1368423.5 999
+  207.1129 274301.7 200
+  211.1439 250837.5 183
+  242.1864 300578.8 219
+  251.103 204756.2 149
+  265.1909 356942.6 260
+  282.1128 1074148.1 784
+  357.145 441738.6 322
+//
diff --git a/Eawag/MSBNK-EAWAG-EC089856.txt b/Eawag/MSBNK-EAWAG-EC089856.txt
new file mode 100644
index 0000000000..0bf3857a39
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC089856.txt
@@ -0,0 +1,72 @@
+ACCESSION: MSBNK-EAWAG-EC089856
+RECORD_TITLE: Microginin 756; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1111/j.1574-6941.2012.01439.x
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 898
+CH$NAME: Microginin 756
+CH$NAME: 2-(2-(2-(3-amino-2-hydroxydecanamido)-3-methylbutanamido)-4-methylpentanamido)-4-(4-hydroxyphenyl)butanoyl)tyrosine
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C40H61N5O9
+CH$EXACT_MASS: 755.4469285
+CH$SMILES: O=C(NC(CC1=CC=C(O)C=C1)C(O)=O)C(CCC2=CC=C(O)C=C2)NC(C(CC(C)C)NC(C(C(C)C)NC(C(O)C(N[H])CCCCCCC)=O)=O)=O
+CH$IUPAC: InChI=1S/C40H61N5O9/c1-6-7-8-9-10-11-30(41)35(48)39(52)45-34(25(4)5)38(51)43-32(22-24(2)3)37(50)42-31(21-16-26-12-17-28(46)18-13-26)36(49)44-33(40(53)54)23-27-14-19-29(47)20-15-27/h12-15,17-20,24-25,30-35,46-48H,6-11,16,21-23,41H2,1-5H3,(H,42,50)(H,43,51)(H,44,49)(H,45,52)(H,53,54)
+CH$LINK: PUBCHEM CID:146683731
+CH$LINK: INCHIKEY IFKUPHYTIDOPIM-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-791
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.263 min
+MS$FOCUSED_ION: BASE_PEAK 768.4552
+MS$FOCUSED_ION: PRECURSOR_M/Z 754.4397
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00lr-0920000000-5d113698635a8f53b812
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  72.009 C2H2NO2- 1 72.0091 -0.94
+  119.05 C8H7O- 1 119.0502 -1.68
+  126.0556 C6H8NO2- 1 126.0561 -3.52
+  134.0607 C8H8NO- 1 134.0611 -3.17
+  143.1185 C7H15N2O- 1 143.119 -3.53
+  145.0291 C9H5O2- 1 145.0295 -2.45
+  147.0445 C9H7O2- 1 147.0452 -4.1
+  162.0553 C9H8NO2- 2 162.0561 -4.91
+  163.0393 C7H5N3O2- 2 163.0387 3.43
+  176.071 C8H8N4O- 2 176.0704 3.82
+  180.0656 C7H8N4O2- 1 180.0653 2
+  207.1126 C9H13N5O- 1 207.1126 0.36
+  211.1437 C9H17N5O- 1 211.1439 -0.77
+  265.1911 C15H25N2O2- 2 265.1922 -3.85
+  282.1128 C15H14N4O2- 2 282.1122 1.9
+PK$NUM_PEAK: 15
+PK$PEAK: m/z int. rel.int.
+  72.009 59603.5 59
+  119.05 780240.4 778
+  126.0556 127259.7 127
+  134.0607 401833.4 401
+  143.1185 612217.2 611
+  145.0291 139195.8 138
+  147.0445 107675.2 107
+  162.0553 176457.6 176
+  163.0393 383993.5 383
+  176.071 121205.7 120
+  180.0656 1000818 999
+  207.1126 319278.2 318
+  211.1437 209944.5 209
+  265.1911 204979.3 204
+  282.1128 515399.7 514
+//
diff --git a/Eawag/MSBNK-EAWAG-EC089857.txt b/Eawag/MSBNK-EAWAG-EC089857.txt
new file mode 100644
index 0000000000..5b6ba89e7f
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC089857.txt
@@ -0,0 +1,62 @@
+ACCESSION: MSBNK-EAWAG-EC089857
+RECORD_TITLE: Microginin 756; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1111/j.1574-6941.2012.01439.x
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 898
+CH$NAME: Microginin 756
+CH$NAME: 2-(2-(2-(3-amino-2-hydroxydecanamido)-3-methylbutanamido)-4-methylpentanamido)-4-(4-hydroxyphenyl)butanoyl)tyrosine
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C40H61N5O9
+CH$EXACT_MASS: 755.4469285
+CH$SMILES: O=C(NC(CC1=CC=C(O)C=C1)C(O)=O)C(CCC2=CC=C(O)C=C2)NC(C(CC(C)C)NC(C(C(C)C)NC(C(O)C(N[H])CCCCCCC)=O)=O)=O
+CH$IUPAC: InChI=1S/C40H61N5O9/c1-6-7-8-9-10-11-30(41)35(48)39(52)45-34(25(4)5)38(51)43-32(22-24(2)3)37(50)42-31(21-16-26-12-17-28(46)18-13-26)36(49)44-33(40(53)54)23-27-14-19-29(47)20-15-27/h12-15,17-20,24-25,30-35,46-48H,6-11,16,21-23,41H2,1-5H3,(H,42,50)(H,43,51)(H,44,49)(H,45,52)(H,53,54)
+CH$LINK: PUBCHEM CID:146683731
+CH$LINK: INCHIKEY IFKUPHYTIDOPIM-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-791
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.263 min
+MS$FOCUSED_ION: BASE_PEAK 768.4552
+MS$FOCUSED_ION: PRECURSOR_M/Z 754.4397
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-017i-0900000000-43563eea53be9c4dce3d
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  66.0349 C4H4N- 1 66.0349 0.02
+  87.0564 C3H7N2O- 1 87.0564 0.04
+  107.05 C7H7O- 1 107.0502 -2.21
+  119.0501 C8H7O- 1 119.0502 -0.98
+  129.1031 C6H13N2O- 1 129.1033 -2.01
+  134.0608 C8H8NO- 1 134.0611 -2.49
+  143.1186 C7H15N2O- 1 143.119 -2.57
+  163.0394 C7H5N3O2- 2 163.0387 4
+  180.0658 C7H8N4O2- 2 180.0653 3.19
+  207.1132 C9H13N5O- 2 207.1126 2.86
+PK$NUM_PEAK: 10
+PK$PEAK: m/z int. rel.int.
+  66.0349 70962.6 76
+  87.0564 196167 210
+  107.05 81481.7 87
+  119.0501 930575.1 999
+  129.1031 516078 554
+  134.0608 401281.5 430
+  143.1186 463280.5 497
+  163.0394 277320.2 297
+  180.0658 408142 438
+  207.1132 166882.5 179
+//
diff --git a/Eawag/MSBNK-EAWAG-EC089858.txt b/Eawag/MSBNK-EAWAG-EC089858.txt
new file mode 100644
index 0000000000..1a8c326e8d
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC089858.txt
@@ -0,0 +1,58 @@
+ACCESSION: MSBNK-EAWAG-EC089858
+RECORD_TITLE: Microginin 756; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1111/j.1574-6941.2012.01439.x
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 898
+CH$NAME: Microginin 756
+CH$NAME: 2-(2-(2-(3-amino-2-hydroxydecanamido)-3-methylbutanamido)-4-methylpentanamido)-4-(4-hydroxyphenyl)butanoyl)tyrosine
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C40H61N5O9
+CH$EXACT_MASS: 755.4469285
+CH$SMILES: O=C(NC(CC1=CC=C(O)C=C1)C(O)=O)C(CCC2=CC=C(O)C=C2)NC(C(CC(C)C)NC(C(C(C)C)NC(C(O)C(N[H])CCCCCCC)=O)=O)=O
+CH$IUPAC: InChI=1S/C40H61N5O9/c1-6-7-8-9-10-11-30(41)35(48)39(52)45-34(25(4)5)38(51)43-32(22-24(2)3)37(50)42-31(21-16-26-12-17-28(46)18-13-26)36(49)44-33(40(53)54)23-27-14-19-29(47)20-15-27/h12-15,17-20,24-25,30-35,46-48H,6-11,16,21-23,41H2,1-5H3,(H,42,50)(H,43,51)(H,44,49)(H,45,52)(H,53,54)
+CH$LINK: PUBCHEM CID:146683731
+CH$LINK: INCHIKEY IFKUPHYTIDOPIM-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-791
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.263 min
+MS$FOCUSED_ION: BASE_PEAK 768.4552
+MS$FOCUSED_ION: PRECURSOR_M/Z 754.4397
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-014i-1900000000-bdebed50491ffac09e1a
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  72.0091 C2H2NO2- 1 72.0091 -0.41
+  87.0564 C3H7N2O- 1 87.0564 -0.14
+  93.0346 C6H5O- 1 93.0346 0.37
+  119.0501 C8H7O- 1 119.0502 -1.11
+  129.1031 C6H13N2O- 1 129.1033 -2.01
+  134.0609 C8H8NO- 1 134.0611 -1.92
+  143.1186 C7H15N2O- 1 143.119 -2.57
+  163.0393 C7H5N3O2- 2 163.0387 3.53
+PK$NUM_PEAK: 8
+PK$PEAK: m/z int. rel.int.
+  72.0091 98495.7 94
+  87.0564 201165.5 193
+  93.0346 145117.4 139
+  119.0501 1036890.2 999
+  129.1031 399490.2 384
+  134.0609 332430 320
+  143.1186 235394.5 226
+  163.0393 224398.2 216
+//
diff --git a/Eawag/MSBNK-EAWAG-EC089859.txt b/Eawag/MSBNK-EAWAG-EC089859.txt
new file mode 100644
index 0000000000..f2ebfe67c4
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC089859.txt
@@ -0,0 +1,60 @@
+ACCESSION: MSBNK-EAWAG-EC089859
+RECORD_TITLE: Microginin 756; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1111/j.1574-6941.2012.01439.x
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 898
+CH$NAME: Microginin 756
+CH$NAME: 2-(2-(2-(3-amino-2-hydroxydecanamido)-3-methylbutanamido)-4-methylpentanamido)-4-(4-hydroxyphenyl)butanoyl)tyrosine
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C40H61N5O9
+CH$EXACT_MASS: 755.4469285
+CH$SMILES: O=C(NC(CC1=CC=C(O)C=C1)C(O)=O)C(CCC2=CC=C(O)C=C2)NC(C(CC(C)C)NC(C(C(C)C)NC(C(O)C(N[H])CCCCCCC)=O)=O)=O
+CH$IUPAC: InChI=1S/C40H61N5O9/c1-6-7-8-9-10-11-30(41)35(48)39(52)45-34(25(4)5)38(51)43-32(22-24(2)3)37(50)42-31(21-16-26-12-17-28(46)18-13-26)36(49)44-33(40(53)54)23-27-14-19-29(47)20-15-27/h12-15,17-20,24-25,30-35,46-48H,6-11,16,21-23,41H2,1-5H3,(H,42,50)(H,43,51)(H,44,49)(H,45,52)(H,53,54)
+CH$LINK: PUBCHEM CID:146683731
+CH$LINK: INCHIKEY IFKUPHYTIDOPIM-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-791
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.263 min
+MS$FOCUSED_ION: BASE_PEAK 768.4552
+MS$FOCUSED_ION: PRECURSOR_M/Z 754.4397
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-014i-3900000000-5a32804fdbc8889cc299
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  58.0298 C2H4NO- 1 58.0298 0.01
+  66.0349 C4H4N- 1 66.0349 0.02
+  72.0091 C2H2NO2- 1 72.0091 -0.41
+  87.0564 C3H7N2O- 1 87.0564 -0.4
+  93.0345 C6H5O- 1 93.0346 -1.03
+  119.0501 C8H7O- 1 119.0502 -1.11
+  133.0531 C8H7NO- 1 133.0533 -1.53
+  134.0607 C8H8NO- 1 134.0611 -2.95
+  143.1186 C7H15N2O- 1 143.119 -2.78
+PK$NUM_PEAK: 9
+PK$PEAK: m/z int. rel.int.
+  58.0298 91020.8 100
+  66.0349 96878.3 106
+  72.0091 82542.9 91
+  87.0564 164782 181
+  93.0345 127113.3 140
+  119.0501 905353.9 999
+  133.0531 99328.8 109
+  134.0607 223128.5 246
+  143.1186 90234.2 99
+//
diff --git a/Eawag/MSBNK-EAWAG-EC091201.txt b/Eawag/MSBNK-EAWAG-EC091201.txt
new file mode 100644
index 0000000000..ccbb2d4eb9
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC091201.txt
@@ -0,0 +1,44 @@
+ACCESSION: MSBNK-EAWAG-EC091201
+RECORD_TITLE: Microginin GH787; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [dtc], A. Miglione [dtc], L. Tartaglione [dtc], F. Varriale [dtc], C. Dell'Aversano [dtc], S.K. Zervou [dtc], T. M. Triantis [dtc], T. Kaloudis [dtc], A. Hiskia [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.chemosphere.2022.137014
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 912
+CH$NAME: Microginin GH787
+CH$NAME: N-(((2S,3R)-3-amino-10-chloro-2-hydroxydecanoyl)-L-tyrosyl)-N-methyl-D-isoleucyl-L-prolyl-D-tyrosine
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C40H58ClN5O9
+CH$EXACT_MASS: 787.3923061
+CH$SMILES: O[C@@H]([C@@H](CCCCCCCCl)N)C(N[C@@H](CC1=CC=C(C=C1)O)C(N([C@H]([C@H](C)CC)C(N2[C@@H](CCC2)C(N[C@@H](C(O)=O)CC3=CC=C(C=C3)O)=O)=O)C)=O)=O
+CH$IUPAC: InChI=1S/C40H58ClN5O9/c1-4-25(2)34(39(53)46-22-10-12-33(46)36(50)44-32(40(54)55)24-27-15-19-29(48)20-16-27)45(3)38(52)31(23-26-13-17-28(47)18-14-26)43-37(51)35(49)30(42)11-8-6-5-7-9-21-41/h13-20,25,30-35,47-49H,4-12,21-24,42H2,1-3H3,(H,43,51)(H,44,50)(H,54,55)/t25-,30-,31+,32-,33+,34-,35+/m1/s1
+CH$LINK: PUBCHEM CID:155802432
+CH$LINK: INCHIKEY XYGVUPXPWWMUAK-UYFULXBISA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-825
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.188 min
+MS$FOCUSED_ION: BASE_PEAK 519.7903
+MS$FOCUSED_ION: PRECURSOR_M/Z 788.3996
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03di-0000090000-b598442a0bc2dc9d6709
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  510.2725 C29H38N2O6+ 5 510.2724 0.15
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  510.2725 1690627.4 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC091202.txt b/Eawag/MSBNK-EAWAG-EC091202.txt
new file mode 100644
index 0000000000..8d693e6e80
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC091202.txt
@@ -0,0 +1,50 @@
+ACCESSION: MSBNK-EAWAG-EC091202
+RECORD_TITLE: Microginin GH787; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [dtc], A. Miglione [dtc], L. Tartaglione [dtc], F. Varriale [dtc], C. Dell'Aversano [dtc], S.K. Zervou [dtc], T. M. Triantis [dtc], T. Kaloudis [dtc], A. Hiskia [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.chemosphere.2022.137014
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 912
+CH$NAME: Microginin GH787
+CH$NAME: N-(((2S,3R)-3-amino-10-chloro-2-hydroxydecanoyl)-L-tyrosyl)-N-methyl-D-isoleucyl-L-prolyl-D-tyrosine
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C40H58ClN5O9
+CH$EXACT_MASS: 787.3923061
+CH$SMILES: O[C@@H]([C@@H](CCCCCCCCl)N)C(N[C@@H](CC1=CC=C(C=C1)O)C(N([C@H]([C@H](C)CC)C(N2[C@@H](CCC2)C(N[C@@H](C(O)=O)CC3=CC=C(C=C3)O)=O)=O)C)=O)=O
+CH$IUPAC: InChI=1S/C40H58ClN5O9/c1-4-25(2)34(39(53)46-22-10-12-33(46)36(50)44-32(40(54)55)24-27-15-19-29(48)20-16-27)45(3)38(52)31(23-26-13-17-28(47)18-14-26)43-37(51)35(49)30(42)11-8-6-5-7-9-21-41/h13-20,25,30-35,47-49H,4-12,21-24,42H2,1-3H3,(H,43,51)(H,44,50)(H,54,55)/t25-,30-,31+,32-,33+,34-,35+/m1/s1
+CH$LINK: PUBCHEM CID:155802432
+CH$LINK: INCHIKEY XYGVUPXPWWMUAK-UYFULXBISA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-825
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.188 min
+MS$FOCUSED_ION: BASE_PEAK 519.7903
+MS$FOCUSED_ION: PRECURSOR_M/Z 788.3996
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03di-0001090000-1aaa40deb38c6cd7e901
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  146.1172 C7H16NO2+ 2 146.1176 -2.57
+  365.1623 C22H23NO4+ 5 365.1622 0.46
+  383.1737 C23H21N5O+ 5 383.1741 -1.07
+  510.2726 C29H38N2O6+ 6 510.2724 0.39
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  146.1172 83209.5 49
+  365.1623 142882 84
+  383.1737 46924.6 27
+  510.2726 1679577.4 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC091203.txt b/Eawag/MSBNK-EAWAG-EC091203.txt
new file mode 100644
index 0000000000..bf6432f81c
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC091203.txt
@@ -0,0 +1,54 @@
+ACCESSION: MSBNK-EAWAG-EC091203
+RECORD_TITLE: Microginin GH787; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [dtc], A. Miglione [dtc], L. Tartaglione [dtc], F. Varriale [dtc], C. Dell'Aversano [dtc], S.K. Zervou [dtc], T. M. Triantis [dtc], T. Kaloudis [dtc], A. Hiskia [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.chemosphere.2022.137014
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 912
+CH$NAME: Microginin GH787
+CH$NAME: N-(((2S,3R)-3-amino-10-chloro-2-hydroxydecanoyl)-L-tyrosyl)-N-methyl-D-isoleucyl-L-prolyl-D-tyrosine
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C40H58ClN5O9
+CH$EXACT_MASS: 787.3923061
+CH$SMILES: O[C@@H]([C@@H](CCCCCCCCl)N)C(N[C@@H](CC1=CC=C(C=C1)O)C(N([C@H]([C@H](C)CC)C(N2[C@@H](CCC2)C(N[C@@H](C(O)=O)CC3=CC=C(C=C3)O)=O)=O)C)=O)=O
+CH$IUPAC: InChI=1S/C40H58ClN5O9/c1-4-25(2)34(39(53)46-22-10-12-33(46)36(50)44-32(40(54)55)24-27-15-19-29(48)20-16-27)45(3)38(52)31(23-26-13-17-28(47)18-14-26)43-37(51)35(49)30(42)11-8-6-5-7-9-21-41/h13-20,25,30-35,47-49H,4-12,21-24,42H2,1-3H3,(H,43,51)(H,44,50)(H,54,55)/t25-,30-,31+,32-,33+,34-,35+/m1/s1
+CH$LINK: PUBCHEM CID:155802432
+CH$LINK: INCHIKEY XYGVUPXPWWMUAK-UYFULXBISA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-825
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.188 min
+MS$FOCUSED_ION: BASE_PEAK 519.7903
+MS$FOCUSED_ION: PRECURSOR_M/Z 788.3996
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0udi-0914000000-5843bc04d2002ebf916c
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  100.1119 C6H14N+ 1 100.1121 -1.36
+  146.1172 C7H16NO2+ 2 146.1176 -2.15
+  162.1039 C11H14O+ 2 162.1039 -0.35
+  202.0987 C13H14O2+ 3 202.0988 -0.8
+  309.1806 C16H25N2O4+ 3 309.1809 -0.95
+  365.1623 C22H23NO4+ 5 365.1622 0.3
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  100.1119 429775 999
+  146.1172 202335.4 470
+  162.1039 181861.2 422
+  202.0987 150436.6 349
+  309.1806 91254.2 212
+  365.1623 288818.1 671
+//
diff --git a/Eawag/MSBNK-EAWAG-EC091204.txt b/Eawag/MSBNK-EAWAG-EC091204.txt
new file mode 100644
index 0000000000..4391cff93d
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC091204.txt
@@ -0,0 +1,58 @@
+ACCESSION: MSBNK-EAWAG-EC091204
+RECORD_TITLE: Microginin GH787; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [dtc], A. Miglione [dtc], L. Tartaglione [dtc], F. Varriale [dtc], C. Dell'Aversano [dtc], S.K. Zervou [dtc], T. M. Triantis [dtc], T. Kaloudis [dtc], A. Hiskia [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.chemosphere.2022.137014
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 912
+CH$NAME: Microginin GH787
+CH$NAME: N-(((2S,3R)-3-amino-10-chloro-2-hydroxydecanoyl)-L-tyrosyl)-N-methyl-D-isoleucyl-L-prolyl-D-tyrosine
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C40H58ClN5O9
+CH$EXACT_MASS: 787.3923061
+CH$SMILES: O[C@@H]([C@@H](CCCCCCCCl)N)C(N[C@@H](CC1=CC=C(C=C1)O)C(N([C@H]([C@H](C)CC)C(N2[C@@H](CCC2)C(N[C@@H](C(O)=O)CC3=CC=C(C=C3)O)=O)=O)C)=O)=O
+CH$IUPAC: InChI=1S/C40H58ClN5O9/c1-4-25(2)34(39(53)46-22-10-12-33(46)36(50)44-32(40(54)55)24-27-15-19-29(48)20-16-27)45(3)38(52)31(23-26-13-17-28(47)18-14-26)43-37(51)35(49)30(42)11-8-6-5-7-9-21-41/h13-20,25,30-35,47-49H,4-12,21-24,42H2,1-3H3,(H,43,51)(H,44,50)(H,54,55)/t25-,30-,31+,32-,33+,34-,35+/m1/s1
+CH$LINK: PUBCHEM CID:155802432
+CH$LINK: INCHIKEY XYGVUPXPWWMUAK-UYFULXBISA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-825
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.188 min
+MS$FOCUSED_ION: BASE_PEAK 519.7903
+MS$FOCUSED_ION: PRECURSOR_M/Z 788.3996
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0w29-0912010000-e2d4337f78a74c329175
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  100.1119 C6H14N+ 1 100.1121 -1.28
+  146.1172 C7H16NO2+ 2 146.1176 -2.15
+  162.1038 C11H14O+ 2 162.1039 -0.72
+  202.0986 C13H14O2+ 3 202.0988 -0.95
+  309.1804 C16H25N2O4+ 3 309.1809 -1.64
+  337.1684 C18H26ClN2O2+ 4 337.1677 2.1
+  365.1627 C22H23NO4+ 4 365.1622 1.55
+  510.2725 C29H38N2O6+ 5 510.2724 0.15
+PK$NUM_PEAK: 8
+PK$PEAK: m/z int. rel.int.
+  100.1119 724041.2 999
+  146.1172 204694.7 282
+  162.1038 393758.5 543
+  202.0986 238230.7 328
+  309.1804 91769.6 126
+  337.1684 89769.3 123
+  365.1627 191484.8 264
+  510.2725 159836.3 220
+//
diff --git a/Eawag/MSBNK-EAWAG-EC091205.txt b/Eawag/MSBNK-EAWAG-EC091205.txt
new file mode 100644
index 0000000000..02e6b0c463
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC091205.txt
@@ -0,0 +1,60 @@
+ACCESSION: MSBNK-EAWAG-EC091205
+RECORD_TITLE: Microginin GH787; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [dtc], A. Miglione [dtc], L. Tartaglione [dtc], F. Varriale [dtc], C. Dell'Aversano [dtc], S.K. Zervou [dtc], T. M. Triantis [dtc], T. Kaloudis [dtc], A. Hiskia [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.chemosphere.2022.137014
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 912
+CH$NAME: Microginin GH787
+CH$NAME: N-(((2S,3R)-3-amino-10-chloro-2-hydroxydecanoyl)-L-tyrosyl)-N-methyl-D-isoleucyl-L-prolyl-D-tyrosine
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C40H58ClN5O9
+CH$EXACT_MASS: 787.3923061
+CH$SMILES: O[C@@H]([C@@H](CCCCCCCCl)N)C(N[C@@H](CC1=CC=C(C=C1)O)C(N([C@H]([C@H](C)CC)C(N2[C@@H](CCC2)C(N[C@@H](C(O)=O)CC3=CC=C(C=C3)O)=O)=O)C)=O)=O
+CH$IUPAC: InChI=1S/C40H58ClN5O9/c1-4-25(2)34(39(53)46-22-10-12-33(46)36(50)44-32(40(54)55)24-27-15-19-29(48)20-16-27)45(3)38(52)31(23-26-13-17-28(47)18-14-26)43-37(51)35(49)30(42)11-8-6-5-7-9-21-41/h13-20,25,30-35,47-49H,4-12,21-24,42H2,1-3H3,(H,43,51)(H,44,50)(H,54,55)/t25-,30-,31+,32-,33+,34-,35+/m1/s1
+CH$LINK: PUBCHEM CID:155802432
+CH$LINK: INCHIKEY XYGVUPXPWWMUAK-UYFULXBISA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-825
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.188 min
+MS$FOCUSED_ION: BASE_PEAK 519.7903
+MS$FOCUSED_ION: PRECURSOR_M/Z 788.3996
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0w29-0910000000-5bcc33d3f15696e65b7e
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  100.112 C6H14N+ 1 100.1121 -0.82
+  136.0755 C8H10NO+ 2 136.0757 -1.42
+  146.1173 C7H16NO2+ 2 146.1176 -1.84
+  162.1039 C11H14O+ 2 162.1039 -0.06
+  174.104 C12H14O+ 2 174.1039 0.38
+  192.1146 C12H16O2+ 2 192.1145 0.73
+  194.0809 C10H12NO3+ 3 194.0812 -1.49
+  202.0986 C13H14O2+ 3 202.0988 -0.95
+  274.1437 C11H21ClN5O+ 4 274.1429 2.77
+PK$NUM_PEAK: 9
+PK$PEAK: m/z int. rel.int.
+  100.112 1081817.8 999
+  136.0755 158258.7 146
+  146.1173 162106.7 149
+  162.1039 653603 603
+  174.104 58395.5 53
+  192.1146 53619.4 49
+  194.0809 54870 50
+  202.0986 202752.2 187
+  274.1437 61033 56
+//
diff --git a/Eawag/MSBNK-EAWAG-EC091206.txt b/Eawag/MSBNK-EAWAG-EC091206.txt
new file mode 100644
index 0000000000..0f4acaf325
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC091206.txt
@@ -0,0 +1,58 @@
+ACCESSION: MSBNK-EAWAG-EC091206
+RECORD_TITLE: Microginin GH787; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [dtc], A. Miglione [dtc], L. Tartaglione [dtc], F. Varriale [dtc], C. Dell'Aversano [dtc], S.K. Zervou [dtc], T. M. Triantis [dtc], T. Kaloudis [dtc], A. Hiskia [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.chemosphere.2022.137014
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 912
+CH$NAME: Microginin GH787
+CH$NAME: N-(((2S,3R)-3-amino-10-chloro-2-hydroxydecanoyl)-L-tyrosyl)-N-methyl-D-isoleucyl-L-prolyl-D-tyrosine
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C40H58ClN5O9
+CH$EXACT_MASS: 787.3923061
+CH$SMILES: O[C@@H]([C@@H](CCCCCCCCl)N)C(N[C@@H](CC1=CC=C(C=C1)O)C(N([C@H]([C@H](C)CC)C(N2[C@@H](CCC2)C(N[C@@H](C(O)=O)CC3=CC=C(C=C3)O)=O)=O)C)=O)=O
+CH$IUPAC: InChI=1S/C40H58ClN5O9/c1-4-25(2)34(39(53)46-22-10-12-33(46)36(50)44-32(40(54)55)24-27-15-19-29(48)20-16-27)45(3)38(52)31(23-26-13-17-28(47)18-14-26)43-37(51)35(49)30(42)11-8-6-5-7-9-21-41/h13-20,25,30-35,47-49H,4-12,21-24,42H2,1-3H3,(H,43,51)(H,44,50)(H,54,55)/t25-,30-,31+,32-,33+,34-,35+/m1/s1
+CH$LINK: PUBCHEM CID:155802432
+CH$LINK: INCHIKEY XYGVUPXPWWMUAK-UYFULXBISA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-825
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.188 min
+MS$FOCUSED_ION: BASE_PEAK 519.7903
+MS$FOCUSED_ION: PRECURSOR_M/Z 788.3996
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0w29-0900000000-d75a6861bc8a4e39b2ea
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  58.0651 C3H8N+ 1 58.0651 0.27
+  70.0652 C4H8N+ 1 70.0651 1.26
+  100.112 C6H14N+ 1 100.1121 -0.82
+  136.0754 C8H10NO+ 1 136.0757 -1.86
+  146.1173 C7H16NO2+ 2 146.1176 -1.84
+  162.1039 C11H14O+ 2 162.1039 -0.06
+  194.081 C10H12NO3+ 3 194.0812 -1.01
+  202.0987 C13H14O2+ 3 202.0988 -0.87
+PK$NUM_PEAK: 8
+PK$PEAK: m/z int. rel.int.
+  58.0651 54988.1 52
+  70.0652 27041.7 26
+  100.112 1038685.3 999
+  136.0754 177488.4 170
+  146.1173 93931.5 90
+  162.1039 742631.8 714
+  194.081 45523.1 43
+  202.0987 123245.3 118
+//
diff --git a/Eawag/MSBNK-EAWAG-EC091207.txt b/Eawag/MSBNK-EAWAG-EC091207.txt
new file mode 100644
index 0000000000..af7199ed55
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC091207.txt
@@ -0,0 +1,60 @@
+ACCESSION: MSBNK-EAWAG-EC091207
+RECORD_TITLE: Microginin GH787; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [dtc], A. Miglione [dtc], L. Tartaglione [dtc], F. Varriale [dtc], C. Dell'Aversano [dtc], S.K. Zervou [dtc], T. M. Triantis [dtc], T. Kaloudis [dtc], A. Hiskia [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.chemosphere.2022.137014
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 912
+CH$NAME: Microginin GH787
+CH$NAME: N-(((2S,3R)-3-amino-10-chloro-2-hydroxydecanoyl)-L-tyrosyl)-N-methyl-D-isoleucyl-L-prolyl-D-tyrosine
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C40H58ClN5O9
+CH$EXACT_MASS: 787.3923061
+CH$SMILES: O[C@@H]([C@@H](CCCCCCCCl)N)C(N[C@@H](CC1=CC=C(C=C1)O)C(N([C@H]([C@H](C)CC)C(N2[C@@H](CCC2)C(N[C@@H](C(O)=O)CC3=CC=C(C=C3)O)=O)=O)C)=O)=O
+CH$IUPAC: InChI=1S/C40H58ClN5O9/c1-4-25(2)34(39(53)46-22-10-12-33(46)36(50)44-32(40(54)55)24-27-15-19-29(48)20-16-27)45(3)38(52)31(23-26-13-17-28(47)18-14-26)43-37(51)35(49)30(42)11-8-6-5-7-9-21-41/h13-20,25,30-35,47-49H,4-12,21-24,42H2,1-3H3,(H,43,51)(H,44,50)(H,54,55)/t25-,30-,31+,32-,33+,34-,35+/m1/s1
+CH$LINK: PUBCHEM CID:155802432
+CH$LINK: INCHIKEY XYGVUPXPWWMUAK-UYFULXBISA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-825
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.188 min
+MS$FOCUSED_ION: BASE_PEAK 519.7903
+MS$FOCUSED_ION: PRECURSOR_M/Z 788.3996
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0w29-0900000000-2e9ba75e3b4ab47cd5f4
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  58.0651 C3H8N+ 1 58.0651 -0.06
+  67.0543 C5H7+ 1 67.0542 1.69
+  100.112 C6H14N+ 1 100.1121 -0.52
+  107.0491 C7H7O+ 2 107.0491 0.08
+  109.1011 C8H13+ 1 109.1012 -0.32
+  136.0755 C8H10NO+ 1 136.0757 -1.75
+  146.1174 C7H16NO2+ 3 146.1176 -0.9
+  162.104 C11H14O+ 2 162.1039 0.41
+  202.0985 C13H14O2+ 4 202.0988 -1.71
+PK$NUM_PEAK: 9
+PK$PEAK: m/z int. rel.int.
+  58.0651 107748.7 134
+  67.0543 30522 38
+  100.112 798140.7 999
+  107.0491 27554.7 34
+  109.1011 28057.7 35
+  136.0755 166826.6 208
+  146.1174 28214.8 35
+  162.104 492798.6 616
+  202.0985 50032.5 62
+//
diff --git a/Eawag/MSBNK-EAWAG-EC091208.txt b/Eawag/MSBNK-EAWAG-EC091208.txt
new file mode 100644
index 0000000000..715ca967b0
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC091208.txt
@@ -0,0 +1,64 @@
+ACCESSION: MSBNK-EAWAG-EC091208
+RECORD_TITLE: Microginin GH787; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [dtc], A. Miglione [dtc], L. Tartaglione [dtc], F. Varriale [dtc], C. Dell'Aversano [dtc], S.K. Zervou [dtc], T. M. Triantis [dtc], T. Kaloudis [dtc], A. Hiskia [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.chemosphere.2022.137014
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 912
+CH$NAME: Microginin GH787
+CH$NAME: N-(((2S,3R)-3-amino-10-chloro-2-hydroxydecanoyl)-L-tyrosyl)-N-methyl-D-isoleucyl-L-prolyl-D-tyrosine
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C40H58ClN5O9
+CH$EXACT_MASS: 787.3923061
+CH$SMILES: O[C@@H]([C@@H](CCCCCCCCl)N)C(N[C@@H](CC1=CC=C(C=C1)O)C(N([C@H]([C@H](C)CC)C(N2[C@@H](CCC2)C(N[C@@H](C(O)=O)CC3=CC=C(C=C3)O)=O)=O)C)=O)=O
+CH$IUPAC: InChI=1S/C40H58ClN5O9/c1-4-25(2)34(39(53)46-22-10-12-33(46)36(50)44-32(40(54)55)24-27-15-19-29(48)20-16-27)45(3)38(52)31(23-26-13-17-28(47)18-14-26)43-37(51)35(49)30(42)11-8-6-5-7-9-21-41/h13-20,25,30-35,47-49H,4-12,21-24,42H2,1-3H3,(H,43,51)(H,44,50)(H,54,55)/t25-,30-,31+,32-,33+,34-,35+/m1/s1
+CH$LINK: PUBCHEM CID:155802432
+CH$LINK: INCHIKEY XYGVUPXPWWMUAK-UYFULXBISA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-825
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.188 min
+MS$FOCUSED_ION: BASE_PEAK 519.7903
+MS$FOCUSED_ION: PRECURSOR_M/Z 788.3996
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0udi-2900000000-061487da5c9c54e1b1f7
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  56.0496 C3H6N+ 1 56.0495 1.76
+  58.0652 C3H8N+ 1 58.0651 0.47
+  67.0543 C5H7+ 1 67.0542 1.12
+  70.0652 C4H8N+ 1 70.0651 1.37
+  91.0542 C7H7+ 1 91.0542 -0.02
+  100.112 C6H14N+ 1 100.1121 -0.37
+  107.0493 C7H7O+ 2 107.0491 1.72
+  109.1012 C8H13+ 1 109.1012 0.59
+  136.0755 C8H10NO+ 2 136.0757 -1.08
+  162.1041 C11H14O+ 2 162.1039 0.88
+  202.0987 C13H14O2+ 3 202.0988 -0.72
+PK$NUM_PEAK: 11
+PK$PEAK: m/z int. rel.int.
+  56.0496 25903.2 41
+  58.0652 166556.8 269
+  67.0543 66070.1 106
+  70.0652 45303.3 73
+  91.0542 26309.9 42
+  100.112 618466.4 999
+  107.0493 27903.4 45
+  109.1012 49821.1 80
+  136.0755 170155.1 274
+  162.1041 276251.3 446
+  202.0987 25119 40
+//
diff --git a/Eawag/MSBNK-EAWAG-EC091209.txt b/Eawag/MSBNK-EAWAG-EC091209.txt
new file mode 100644
index 0000000000..27895ce3e9
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC091209.txt
@@ -0,0 +1,64 @@
+ACCESSION: MSBNK-EAWAG-EC091209
+RECORD_TITLE: Microginin GH787; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [dtc], A. Miglione [dtc], L. Tartaglione [dtc], F. Varriale [dtc], C. Dell'Aversano [dtc], S.K. Zervou [dtc], T. M. Triantis [dtc], T. Kaloudis [dtc], A. Hiskia [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.chemosphere.2022.137014
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 912
+CH$NAME: Microginin GH787
+CH$NAME: N-(((2S,3R)-3-amino-10-chloro-2-hydroxydecanoyl)-L-tyrosyl)-N-methyl-D-isoleucyl-L-prolyl-D-tyrosine
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C40H58ClN5O9
+CH$EXACT_MASS: 787.3923061
+CH$SMILES: O[C@@H]([C@@H](CCCCCCCCl)N)C(N[C@@H](CC1=CC=C(C=C1)O)C(N([C@H]([C@H](C)CC)C(N2[C@@H](CCC2)C(N[C@@H](C(O)=O)CC3=CC=C(C=C3)O)=O)=O)C)=O)=O
+CH$IUPAC: InChI=1S/C40H58ClN5O9/c1-4-25(2)34(39(53)46-22-10-12-33(46)36(50)44-32(40(54)55)24-27-15-19-29(48)20-16-27)45(3)38(52)31(23-26-13-17-28(47)18-14-26)43-37(51)35(49)30(42)11-8-6-5-7-9-21-41/h13-20,25,30-35,47-49H,4-12,21-24,42H2,1-3H3,(H,43,51)(H,44,50)(H,54,55)/t25-,30-,31+,32-,33+,34-,35+/m1/s1
+CH$LINK: PUBCHEM CID:155802432
+CH$LINK: INCHIKEY XYGVUPXPWWMUAK-UYFULXBISA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-825
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.188 min
+MS$FOCUSED_ION: BASE_PEAK 519.7903
+MS$FOCUSED_ION: PRECURSOR_M/Z 788.3996
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0zfr-4900000000-70db7d90a834a0266362
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  55.0543 C4H7+ 1 55.0542 1.55
+  58.0652 C3H8N+ 1 58.0651 0.79
+  67.0543 C5H7+ 1 67.0542 0.89
+  81.07 C6H9+ 1 81.0699 2.08
+  100.112 C6H14N+ 1 100.1121 -0.29
+  107.0493 C7H7O+ 2 107.0491 1.15
+  109.1013 C8H13+ 1 109.1012 1.14
+  119.0492 C8H7O+ 2 119.0491 0.78
+  126.1282 C8H16N+ 1 126.1277 3.57
+  136.0757 C8H10NO+ 2 136.0757 -0.18
+  162.104 C11H14O+ 2 162.1039 0.5
+PK$NUM_PEAK: 11
+PK$PEAK: m/z int. rel.int.
+  55.0543 39938.3 103
+  58.0652 213630.3 554
+  67.0543 89987.3 233
+  81.07 26215.5 68
+  100.112 384686.6 999
+  107.0493 33866.1 87
+  109.1013 38543.6 100
+  119.0492 45020 116
+  126.1282 19751.4 51
+  136.0757 117166.7 304
+  162.104 94151.1 244
+//
diff --git a/Eawag/MSBNK-EAWAG-EC092301.txt b/Eawag/MSBNK-EAWAG-EC092301.txt
new file mode 100644
index 0000000000..fd0b7d9b92
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC092301.txt
@@ -0,0 +1,47 @@
+ACCESSION: MSBNK-EAWAG-EC092301
+RECORD_TITLE: Nostocyclopeptide A2; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1021/np000316k
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 923
+CH$NAME: Nostocyclopeptide A2
+CH$NAME: 3-[(3S,6S,9R,15S,18S,21S,23S)-18-benzyl-6-[(2S)-butan-2-yl]-3-(hydroxymethyl)-15-[(4-hydroxyphenyl)methyl]-23-methyl-2,5,8,11,14,20-hexaoxo-1,4,7,10,13,16,19-heptazabicyclo[19.3.0]tetracos-16-en-9-yl]propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C40H54N8O9
+CH$EXACT_MASS: 790.4013753
+CH$SMILES: CC[C@@H]([C@H]1C(N[C@@H](CO)C(N2C[C@@H](C)C[C@H]2C(N[C@@H](CC3=CC=CC=C3)/C=N\[C@@H](CC4=CC=C(O)C=C4)C(NCC(N[C@H](CCC(N)=O)C(N1)=O)=O)=O)=O)=O)=O)C
+CH$IUPAC: InChI=1S/C40H54N8O9/c1-4-24(3)35-39(56)46-31(22-49)40(57)48-21-23(2)16-32(48)38(55)44-27(17-25-8-6-5-7-9-25)19-42-30(18-26-10-12-28(50)13-11-26)36(53)43-20-34(52)45-29(37(54)47-35)14-15-33(41)51/h5-13,19,23-24,27,29-32,35,49-50H,4,14-18,20-22H2,1-3H3,(H2,41,51)(H,43,53)(H,44,55)(H,45,52)(H,46,56)(H,47,54)/b42-19-/t23-,24-,27-,29+,30-,31-,32-,35-/m0/s1
+CH$LINK: CHEBI 80054
+CH$LINK: PUBCHEM CID:10509499
+CH$LINK: INCHIKEY OYHPNVXZUBWKJE-NDJHOONXSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-828
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.924 min
+MS$FOCUSED_ION: BASE_PEAK 791.4081
+MS$FOCUSED_ION: PRECURSOR_M/Z 791.4087
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0006-0010000900-9ed9e787352e71d54200
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  243.1491 C15H19N2O+ 3 243.1492 -0.54
+  791.4087 C40H55N8O9+ 1 791.4087 0.01
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  243.1491 8266728 119
+  791.4087 69388712 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC092302.txt b/Eawag/MSBNK-EAWAG-EC092302.txt
new file mode 100644
index 0000000000..b3d66d5f1d
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC092302.txt
@@ -0,0 +1,51 @@
+ACCESSION: MSBNK-EAWAG-EC092302
+RECORD_TITLE: Nostocyclopeptide A2; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1021/np000316k
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 923
+CH$NAME: Nostocyclopeptide A2
+CH$NAME: 3-[(3S,6S,9R,15S,18S,21S,23S)-18-benzyl-6-[(2S)-butan-2-yl]-3-(hydroxymethyl)-15-[(4-hydroxyphenyl)methyl]-23-methyl-2,5,8,11,14,20-hexaoxo-1,4,7,10,13,16,19-heptazabicyclo[19.3.0]tetracos-16-en-9-yl]propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C40H54N8O9
+CH$EXACT_MASS: 790.4013753
+CH$SMILES: CC[C@@H]([C@H]1C(N[C@@H](CO)C(N2C[C@@H](C)C[C@H]2C(N[C@@H](CC3=CC=CC=C3)/C=N\[C@@H](CC4=CC=C(O)C=C4)C(NCC(N[C@H](CCC(N)=O)C(N1)=O)=O)=O)=O)=O)=O)C
+CH$IUPAC: InChI=1S/C40H54N8O9/c1-4-24(3)35-39(56)46-31(22-49)40(57)48-21-23(2)16-32(48)38(55)44-27(17-25-8-6-5-7-9-25)19-42-30(18-26-10-12-28(50)13-11-26)36(53)43-20-34(52)45-29(37(54)47-35)14-15-33(41)51/h5-13,19,23-24,27,29-32,35,49-50H,4,14-18,20-22H2,1-3H3,(H2,41,51)(H,43,53)(H,44,55)(H,45,52)(H,46,56)(H,47,54)/b42-19-/t23-,24-,27-,29+,30-,31-,32-,35-/m0/s1
+CH$LINK: CHEBI 80054
+CH$LINK: PUBCHEM CID:10509499
+CH$LINK: INCHIKEY OYHPNVXZUBWKJE-NDJHOONXSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-828
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.924 min
+MS$FOCUSED_ION: BASE_PEAK 791.4081
+MS$FOCUSED_ION: PRECURSOR_M/Z 791.4087
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0006-0090000700-ee1448375910f7ec11e4
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  243.149 C15H19N2O+ 3 243.1492 -0.73
+  773.3983 C40H53N8O8+ 1 773.3981 0.25
+  774.3815 C40H52N7O9+ 1 774.3821 -0.79
+  791.4087 C40H55N8O9+ 1 791.4087 0.01
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  243.149 54110244 999
+  773.3983 2565901 47
+  774.3815 2463876.5 45
+  791.4087 39493296 729
+//
diff --git a/Eawag/MSBNK-EAWAG-EC092303.txt b/Eawag/MSBNK-EAWAG-EC092303.txt
new file mode 100644
index 0000000000..b705271387
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC092303.txt
@@ -0,0 +1,59 @@
+ACCESSION: MSBNK-EAWAG-EC092303
+RECORD_TITLE: Nostocyclopeptide A2; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1021/np000316k
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 923
+CH$NAME: Nostocyclopeptide A2
+CH$NAME: 3-[(3S,6S,9R,15S,18S,21S,23S)-18-benzyl-6-[(2S)-butan-2-yl]-3-(hydroxymethyl)-15-[(4-hydroxyphenyl)methyl]-23-methyl-2,5,8,11,14,20-hexaoxo-1,4,7,10,13,16,19-heptazabicyclo[19.3.0]tetracos-16-en-9-yl]propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C40H54N8O9
+CH$EXACT_MASS: 790.4013753
+CH$SMILES: CC[C@@H]([C@H]1C(N[C@@H](CO)C(N2C[C@@H](C)C[C@H]2C(N[C@@H](CC3=CC=CC=C3)/C=N\[C@@H](CC4=CC=C(O)C=C4)C(NCC(N[C@H](CCC(N)=O)C(N1)=O)=O)=O)=O)=O)=O)C
+CH$IUPAC: InChI=1S/C40H54N8O9/c1-4-24(3)35-39(56)46-31(22-49)40(57)48-21-23(2)16-32(48)38(55)44-27(17-25-8-6-5-7-9-25)19-42-30(18-26-10-12-28(50)13-11-26)36(53)43-20-34(52)45-29(37(54)47-35)14-15-33(41)51/h5-13,19,23-24,27,29-32,35,49-50H,4,14-18,20-22H2,1-3H3,(H2,41,51)(H,43,53)(H,44,55)(H,45,52)(H,46,56)(H,47,54)/b42-19-/t23-,24-,27-,29+,30-,31-,32-,35-/m0/s1
+CH$LINK: CHEBI 80054
+CH$LINK: PUBCHEM CID:10509499
+CH$LINK: INCHIKEY OYHPNVXZUBWKJE-NDJHOONXSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-828
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.924 min
+MS$FOCUSED_ION: BASE_PEAK 791.4081
+MS$FOCUSED_ION: PRECURSOR_M/Z 791.4087
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0006-0090000000-fb352310ee782c014c21
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  215.1541 C14H19N2+ 2 215.1543 -0.79
+  243.149 C15H19N2O+ 3 243.1492 -0.85
+  312.1676 C15H24N2O5+ 2 312.168 -1.17
+  330.1825 C20H26O4+ 4 330.1826 -0.09
+  335.1389 C20H19N2O3+ 3 335.139 -0.38
+  463.1967 C24H31O9+ 6 463.1963 0.96
+  774.3822 C40H52N7O9+ 1 774.3821 0.08
+  791.4086 C40H55N8O9+ 1 791.4087 -0.07
+PK$NUM_PEAK: 8
+PK$PEAK: m/z int. rel.int.
+  215.1541 9023348 107
+  243.149 83526952 999
+  312.1676 1061213 12
+  330.1825 1002457.9 11
+  335.1389 2939517 35
+  463.1967 2138961.8 25
+  774.3822 1202419.5 14
+  791.4086 6291040 75
+//
diff --git a/Eawag/MSBNK-EAWAG-EC092304.txt b/Eawag/MSBNK-EAWAG-EC092304.txt
new file mode 100644
index 0000000000..e48164358e
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC092304.txt
@@ -0,0 +1,59 @@
+ACCESSION: MSBNK-EAWAG-EC092304
+RECORD_TITLE: Nostocyclopeptide A2; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1021/np000316k
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 923
+CH$NAME: Nostocyclopeptide A2
+CH$NAME: 3-[(3S,6S,9R,15S,18S,21S,23S)-18-benzyl-6-[(2S)-butan-2-yl]-3-(hydroxymethyl)-15-[(4-hydroxyphenyl)methyl]-23-methyl-2,5,8,11,14,20-hexaoxo-1,4,7,10,13,16,19-heptazabicyclo[19.3.0]tetracos-16-en-9-yl]propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C40H54N8O9
+CH$EXACT_MASS: 790.4013753
+CH$SMILES: CC[C@@H]([C@H]1C(N[C@@H](CO)C(N2C[C@@H](C)C[C@H]2C(N[C@@H](CC3=CC=CC=C3)/C=N\[C@@H](CC4=CC=C(O)C=C4)C(NCC(N[C@H](CCC(N)=O)C(N1)=O)=O)=O)=O)=O)=O)C
+CH$IUPAC: InChI=1S/C40H54N8O9/c1-4-24(3)35-39(56)46-31(22-49)40(57)48-21-23(2)16-32(48)38(55)44-27(17-25-8-6-5-7-9-25)19-42-30(18-26-10-12-28(50)13-11-26)36(53)43-20-34(52)45-29(37(54)47-35)14-15-33(41)51/h5-13,19,23-24,27,29-32,35,49-50H,4,14-18,20-22H2,1-3H3,(H2,41,51)(H,43,53)(H,44,55)(H,45,52)(H,46,56)(H,47,54)/b42-19-/t23-,24-,27-,29+,30-,31-,32-,35-/m0/s1
+CH$LINK: CHEBI 80054
+CH$LINK: PUBCHEM CID:10509499
+CH$LINK: INCHIKEY OYHPNVXZUBWKJE-NDJHOONXSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-828
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.924 min
+MS$FOCUSED_ION: BASE_PEAK 791.4081
+MS$FOCUSED_ION: PRECURSOR_M/Z 791.4087
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0006-0090000000-892a3e6094026370b88b
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  84.0808 C5H10N+ 1 84.0808 0.6
+  101.071 C4H9N2O+ 1 101.0709 0.26
+  171.1126 C8H15N2O2+ 1 171.1128 -1.37
+  215.1542 C14H19N2+ 2 215.1543 -0.58
+  243.149 C15H19N2O+ 3 243.1492 -0.73
+  307.1447 C19H19N2O2+ 3 307.1441 1.8
+  312.1689 C15H24N2O5+ 2 312.168 2.84
+  463.1965 C24H31O9+ 4 463.1963 0.56
+PK$NUM_PEAK: 8
+PK$PEAK: m/z int. rel.int.
+  84.0808 1441955.9 17
+  101.071 1484154.2 18
+  171.1126 850870.4 10
+  215.1542 28208798 348
+  243.149 80807000 999
+  307.1447 1369997.9 16
+  312.1689 1665687.1 20
+  463.1965 2417463.8 29
+//
diff --git a/Eawag/MSBNK-EAWAG-EC092305.txt b/Eawag/MSBNK-EAWAG-EC092305.txt
new file mode 100644
index 0000000000..bf05d0f990
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC092305.txt
@@ -0,0 +1,81 @@
+ACCESSION: MSBNK-EAWAG-EC092305
+RECORD_TITLE: Nostocyclopeptide A2; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1021/np000316k
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 923
+CH$NAME: Nostocyclopeptide A2
+CH$NAME: 3-[(3S,6S,9R,15S,18S,21S,23S)-18-benzyl-6-[(2S)-butan-2-yl]-3-(hydroxymethyl)-15-[(4-hydroxyphenyl)methyl]-23-methyl-2,5,8,11,14,20-hexaoxo-1,4,7,10,13,16,19-heptazabicyclo[19.3.0]tetracos-16-en-9-yl]propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C40H54N8O9
+CH$EXACT_MASS: 790.4013753
+CH$SMILES: CC[C@@H]([C@H]1C(N[C@@H](CO)C(N2C[C@@H](C)C[C@H]2C(N[C@@H](CC3=CC=CC=C3)/C=N\[C@@H](CC4=CC=C(O)C=C4)C(NCC(N[C@H](CCC(N)=O)C(N1)=O)=O)=O)=O)=O)=O)C
+CH$IUPAC: InChI=1S/C40H54N8O9/c1-4-24(3)35-39(56)46-31(22-49)40(57)48-21-23(2)16-32(48)38(55)44-27(17-25-8-6-5-7-9-25)19-42-30(18-26-10-12-28(50)13-11-26)36(53)43-20-34(52)45-29(37(54)47-35)14-15-33(41)51/h5-13,19,23-24,27,29-32,35,49-50H,4,14-18,20-22H2,1-3H3,(H2,41,51)(H,43,53)(H,44,55)(H,45,52)(H,46,56)(H,47,54)/b42-19-/t23-,24-,27-,29+,30-,31-,32-,35-/m0/s1
+CH$LINK: CHEBI 80054
+CH$LINK: PUBCHEM CID:10509499
+CH$LINK: INCHIKEY OYHPNVXZUBWKJE-NDJHOONXSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-828
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.924 min
+MS$FOCUSED_ION: BASE_PEAK 791.4081
+MS$FOCUSED_ION: PRECURSOR_M/Z 791.4087
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-014l-0190000000-10184c206915c4bb3e4d
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  84.0443 C4H6NO+ 1 84.0444 -0.75
+  84.0808 C5H10N+ 1 84.0808 0.33
+  86.0964 C5H12N+ 1 86.0964 -0.59
+  101.0709 C4H9N2O+ 1 101.0709 -0.19
+  124.0992 C7H12N2+ 1 124.0995 -2.61
+  132.0807 C9H10N+ 1 132.0808 -0.33
+  136.0757 C8H10NO+ 1 136.0757 0.32
+  151.0866 C8H11N2O+ 1 151.0866 0.22
+  152.0941 C8H12N2O+ 1 152.0944 -1.76
+  171.1126 C8H15N2O2+ 1 171.1128 -0.92
+  186.0878 C7H12N3O3+ 2 186.0873 2.59
+  197.1285 C10H17N2O2+ 1 197.1285 0.32
+  215.1542 C14H19N2+ 2 215.1543 -0.43
+  243.1491 C15H19N2O+ 2 243.1492 -0.29
+  250.1222 C17H16NO+ 3 250.1226 -1.89
+  267.1494 C3H21N7O7+ 2 267.1497 -1.23
+  279.1492 C18H19N2O+ 3 279.1492 -0.01
+  307.1443 C19H19N2O2+ 2 307.1441 0.71
+  335.139 C20H19N2O3+ 3 335.139 0.08
+PK$NUM_PEAK: 19
+PK$PEAK: m/z int. rel.int.
+  84.0443 654587.1 10
+  84.0808 5048350.5 83
+  86.0964 979115.2 16
+  101.0709 2038389 33
+  124.0992 960777 15
+  132.0807 2356270.8 38
+  136.0757 763440.6 12
+  151.0866 646975.4 10
+  152.0941 849199.2 13
+  171.1126 1655386.4 27
+  186.0878 1218039.6 20
+  197.1285 608577.5 10
+  215.1542 60653840 999
+  243.1491 31718052 522
+  250.1222 993021.5 16
+  267.1494 1571207.8 25
+  279.1492 2698695.2 44
+  307.1443 2918800.8 48
+  335.139 4342969 71
+//
diff --git a/Eawag/MSBNK-EAWAG-EC092306.txt b/Eawag/MSBNK-EAWAG-EC092306.txt
new file mode 100644
index 0000000000..6fcd3b1179
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC092306.txt
@@ -0,0 +1,101 @@
+ACCESSION: MSBNK-EAWAG-EC092306
+RECORD_TITLE: Nostocyclopeptide A2; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1021/np000316k
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 923
+CH$NAME: Nostocyclopeptide A2
+CH$NAME: 3-[(3S,6S,9R,15S,18S,21S,23S)-18-benzyl-6-[(2S)-butan-2-yl]-3-(hydroxymethyl)-15-[(4-hydroxyphenyl)methyl]-23-methyl-2,5,8,11,14,20-hexaoxo-1,4,7,10,13,16,19-heptazabicyclo[19.3.0]tetracos-16-en-9-yl]propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C40H54N8O9
+CH$EXACT_MASS: 790.4013753
+CH$SMILES: CC[C@@H]([C@H]1C(N[C@@H](CO)C(N2C[C@@H](C)C[C@H]2C(N[C@@H](CC3=CC=CC=C3)/C=N\[C@@H](CC4=CC=C(O)C=C4)C(NCC(N[C@H](CCC(N)=O)C(N1)=O)=O)=O)=O)=O)=O)C
+CH$IUPAC: InChI=1S/C40H54N8O9/c1-4-24(3)35-39(56)46-31(22-49)40(57)48-21-23(2)16-32(48)38(55)44-27(17-25-8-6-5-7-9-25)19-42-30(18-26-10-12-28(50)13-11-26)36(53)43-20-34(52)45-29(37(54)47-35)14-15-33(41)51/h5-13,19,23-24,27,29-32,35,49-50H,4,14-18,20-22H2,1-3H3,(H2,41,51)(H,43,53)(H,44,55)(H,45,52)(H,46,56)(H,47,54)/b42-19-/t23-,24-,27-,29+,30-,31-,32-,35-/m0/s1
+CH$LINK: CHEBI 80054
+CH$LINK: PUBCHEM CID:10509499
+CH$LINK: INCHIKEY OYHPNVXZUBWKJE-NDJHOONXSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-828
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.924 min
+MS$FOCUSED_ION: BASE_PEAK 791.4081
+MS$FOCUSED_ION: PRECURSOR_M/Z 791.4087
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-014i-2390000000-03cdc5aac797915ac432
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  60.0444 C2H6NO+ 1 60.0444 0.18
+  75.0553 C2H7N2O+ 1 75.0553 0.33
+  84.0445 C4H6NO+ 1 84.0444 0.79
+  84.0808 C5H10N+ 1 84.0808 0.05
+  86.0964 C5H12N+ 1 86.0964 -0.06
+  91.0541 C7H7+ 1 91.0542 -0.9
+  98.0964 C6H12N+ 1 98.0964 -0.54
+  101.0709 C4H9N2O+ 1 101.0709 -0.11
+  123.0917 C7H11N2+ 1 123.0917 -0.07
+  124.0995 C7H12N2+ 1 124.0995 0.03
+  129.0656 C5H9N2O2+ 1 129.0659 -2.33
+  132.0807 C9H10N+ 1 132.0808 -0.44
+  136.0754 C8H10NO+ 1 136.0757 -1.92
+  151.086 C8H11N2O+ 1 151.0866 -3.72
+  152.0943 C8H12N2O+ 1 152.0944 -0.96
+  158.0965 C11H12N+ 1 158.0964 0.68
+  159.0913 C10H11N2+ 1 159.0917 -2.55
+  171.1124 C8H15N2O2+ 1 171.1128 -2.53
+  186.0873 C7H12N3O3+ 1 186.0873 -0.36
+  197.1285 C10H17N2O2+ 1 197.1285 0.01
+  198.1277 C14H16N+ 2 198.1277 -0.24
+  215.1541 C14H19N2+ 2 215.1543 -0.79
+  243.149 C15H19N2O+ 3 243.1492 -0.73
+  250.1225 C17H16NO+ 2 250.1226 -0.37
+  267.1492 C3H21N7O7+ 3 267.1497 -2.03
+  279.1492 C18H19N2O+ 3 279.1492 -0.01
+  307.1441 C19H19N2O2+ 3 307.1441 -0.09
+  333.1963 C22H25N2O+ 3 333.1961 0.47
+  334.1555 C20H20N3O2+ 4 334.155 1.37
+PK$NUM_PEAK: 29
+PK$PEAK: m/z int. rel.int.
+  60.0444 685323.5 10
+  75.0553 1208452.4 18
+  84.0445 2181762.8 33
+  84.0808 10133946 156
+  86.0964 2201358.5 34
+  91.0541 1384130.9 21
+  98.0964 701950.4 10
+  101.0709 1999233.8 30
+  123.0917 1096266.9 16
+  124.0995 6457872 99
+  129.0656 790826.8 12
+  132.0807 9206150 142
+  136.0754 1810555.8 27
+  151.086 894364 13
+  152.0943 2724918 42
+  158.0965 1728842.9 26
+  159.0913 1690201 26
+  171.1124 1728682.9 26
+  186.0873 1078152.8 16
+  197.1285 995604.7 15
+  198.1277 2885313.8 44
+  215.1541 64669880 999
+  243.149 9160293 141
+  250.1225 2201166 34
+  267.1492 1649247.4 25
+  279.1492 4579337.5 70
+  307.1441 2616217.5 40
+  333.1963 737227.8 11
+  334.1555 1358298.5 20
+//
diff --git a/Eawag/MSBNK-EAWAG-EC092307.txt b/Eawag/MSBNK-EAWAG-EC092307.txt
new file mode 100644
index 0000000000..153134fbb4
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC092307.txt
@@ -0,0 +1,133 @@
+ACCESSION: MSBNK-EAWAG-EC092307
+RECORD_TITLE: Nostocyclopeptide A2; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1021/np000316k
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 923
+CH$NAME: Nostocyclopeptide A2
+CH$NAME: 3-[(3S,6S,9R,15S,18S,21S,23S)-18-benzyl-6-[(2S)-butan-2-yl]-3-(hydroxymethyl)-15-[(4-hydroxyphenyl)methyl]-23-methyl-2,5,8,11,14,20-hexaoxo-1,4,7,10,13,16,19-heptazabicyclo[19.3.0]tetracos-16-en-9-yl]propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C40H54N8O9
+CH$EXACT_MASS: 790.4013753
+CH$SMILES: CC[C@@H]([C@H]1C(N[C@@H](CO)C(N2C[C@@H](C)C[C@H]2C(N[C@@H](CC3=CC=CC=C3)/C=N\[C@@H](CC4=CC=C(O)C=C4)C(NCC(N[C@H](CCC(N)=O)C(N1)=O)=O)=O)=O)=O)=O)C
+CH$IUPAC: InChI=1S/C40H54N8O9/c1-4-24(3)35-39(56)46-31(22-49)40(57)48-21-23(2)16-32(48)38(55)44-27(17-25-8-6-5-7-9-25)19-42-30(18-26-10-12-28(50)13-11-26)36(53)43-20-34(52)45-29(37(54)47-35)14-15-33(41)51/h5-13,19,23-24,27,29-32,35,49-50H,4,14-18,20-22H2,1-3H3,(H2,41,51)(H,43,53)(H,44,55)(H,45,52)(H,46,56)(H,47,54)/b42-19-/t23-,24-,27-,29+,30-,31-,32-,35-/m0/s1
+CH$LINK: CHEBI 80054
+CH$LINK: PUBCHEM CID:10509499
+CH$LINK: INCHIKEY OYHPNVXZUBWKJE-NDJHOONXSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-828
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.924 min
+MS$FOCUSED_ION: BASE_PEAK 791.4081
+MS$FOCUSED_ION: PRECURSOR_M/Z 791.4087
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0159-4950000000-07105621a77ce130359d
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  60.0443 C2H6NO+ 1 60.0444 -0.71
+  69.0699 C5H9+ 1 69.0699 0.46
+  75.0554 C2H7N2O+ 1 75.0553 1.55
+  81.0447 C4H5N2+ 1 81.0447 -0.63
+  82.0525 C4H6N2+ 1 82.0525 -0.27
+  84.0445 C4H6NO+ 1 84.0444 1.06
+  84.0808 C5H10N+ 1 84.0808 0.24
+  86.0965 C5H12N+ 1 86.0964 0.74
+  91.0542 C7H7+ 1 91.0542 -0.06
+  96.0809 C6H10N+ 1 96.0808 1.5
+  98.0964 C6H12N+ 1 98.0964 0.24
+  101.071 C4H9N2O+ 1 101.0709 0.49
+  107.0492 C7H7O+ 1 107.0491 0.69
+  109.0762 C6H9N2+ 1 109.076 1.64
+  115.0542 C9H7+ 1 115.0542 -0.52
+  117.07 C9H9+ 1 117.0699 0.66
+  121.0649 C8H9O+ 1 121.0648 0.69
+  123.0916 C7H11N2+ 1 123.0917 -0.31
+  124.0995 C7H12N2+ 1 124.0995 -0.33
+  129.0658 C5H9N2O2+ 1 129.0659 -0.79
+  130.0651 C9H8N+ 1 130.0651 -0.05
+  132.0807 C9H10N+ 1 132.0808 -0.79
+  133.0646 C9H9O+ 1 133.0648 -1.45
+  136.076 C8H10NO+ 1 136.0757 2.01
+  144.0812 C10H10N+ 1 144.0808 3.23
+  147.0441 C9H7O2+ 1 147.0441 0
+  147.0918 C9H11N2+ 1 147.0917 0.65
+  148.0757 C9H10NO+ 1 148.0757 0
+  148.0994 C9H12N2+ 1 148.0995 -0.65
+  151.0868 C8H11N2O+ 1 151.0866 1.33
+  152.0943 C8H12N2O+ 1 152.0944 -0.66
+  158.0964 C11H12N+ 1 158.0964 -0.39
+  159.0916 C10H11N2+ 1 159.0917 -0.54
+  161.1073 C10H13N2+ 1 161.1073 -0.4
+  169.0609 C7H9N2O3+ 1 169.0608 0.71
+  171.1127 C8H15N2O2+ 1 171.1128 -0.48
+  172.0991 C11H12N2+ 1 172.0995 -2.17
+  173.107 C11H13N2+ 1 173.1073 -1.79
+  198.1275 C14H16N+ 2 198.1277 -0.94
+  200.0942 C12H12N2O+ 1 200.0944 -0.85
+  201.1019 C12H13N2O+ 1 201.1022 -1.66
+  215.1542 C14H19N2+ 2 215.1543 -0.43
+  243.1488 C15H19N2O+ 3 243.1492 -1.48
+  250.122 C17H16NO+ 3 250.1226 -2.44
+  279.1489 C18H19N2O+ 3 279.1492 -0.99
+PK$NUM_PEAK: 45
+PK$PEAK: m/z int. rel.int.
+  60.0443 830121.9 28
+  69.0699 338128.8 11
+  75.0554 1450873.9 49
+  81.0447 433291 14
+  82.0525 1899561.8 65
+  84.0445 3129775 107
+  84.0808 11435483 393
+  86.0965 2603418.5 89
+  91.0542 2488203 85
+  96.0809 336224.8 11
+  98.0964 1323116.9 45
+  101.071 1194258.4 41
+  107.0492 827161.4 28
+  109.0762 937436.8 32
+  115.0542 1021304.1 35
+  117.07 999666.2 34
+  121.0649 744201.2 25
+  123.0916 2703272.5 92
+  124.0995 12511498 429
+  129.0658 998766.2 34
+  130.0651 1322172.9 45
+  132.0807 11826756 406
+  133.0646 817049.1 28
+  136.076 1778702.5 61
+  144.0812 829777.2 28
+  147.0441 613503.4 21
+  147.0918 1242613 42
+  148.0757 541954.8 18
+  148.0994 390357.5 13
+  151.0868 1419881.5 48
+  152.0943 3034008.8 104
+  158.0964 2168425.8 74
+  159.0916 2588903.8 88
+  161.1073 596151.1 20
+  169.0609 589353.1 20
+  171.1127 549780.1 18
+  172.0991 337827.8 11
+  173.107 478808.5 16
+  198.1275 3572112.8 122
+  200.0942 495720.1 17
+  201.1019 616473.2 21
+  215.1542 29068514 999
+  243.1488 1520948 52
+  250.122 1386870.6 47
+  279.1489 1911237.2 65
+//
diff --git a/Eawag/MSBNK-EAWAG-EC092308.txt b/Eawag/MSBNK-EAWAG-EC092308.txt
new file mode 100644
index 0000000000..c79dacf89c
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC092308.txt
@@ -0,0 +1,135 @@
+ACCESSION: MSBNK-EAWAG-EC092308
+RECORD_TITLE: Nostocyclopeptide A2; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1021/np000316k
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 923
+CH$NAME: Nostocyclopeptide A2
+CH$NAME: 3-[(3S,6S,9R,15S,18S,21S,23S)-18-benzyl-6-[(2S)-butan-2-yl]-3-(hydroxymethyl)-15-[(4-hydroxyphenyl)methyl]-23-methyl-2,5,8,11,14,20-hexaoxo-1,4,7,10,13,16,19-heptazabicyclo[19.3.0]tetracos-16-en-9-yl]propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C40H54N8O9
+CH$EXACT_MASS: 790.4013753
+CH$SMILES: CC[C@@H]([C@H]1C(N[C@@H](CO)C(N2C[C@@H](C)C[C@H]2C(N[C@@H](CC3=CC=CC=C3)/C=N\[C@@H](CC4=CC=C(O)C=C4)C(NCC(N[C@H](CCC(N)=O)C(N1)=O)=O)=O)=O)=O)=O)C
+CH$IUPAC: InChI=1S/C40H54N8O9/c1-4-24(3)35-39(56)46-31(22-49)40(57)48-21-23(2)16-32(48)38(55)44-27(17-25-8-6-5-7-9-25)19-42-30(18-26-10-12-28(50)13-11-26)36(53)43-20-34(52)45-29(37(54)47-35)14-15-33(41)51/h5-13,19,23-24,27,29-32,35,49-50H,4,14-18,20-22H2,1-3H3,(H2,41,51)(H,43,53)(H,44,55)(H,45,52)(H,46,56)(H,47,54)/b42-19-/t23-,24-,27-,29+,30-,31-,32-,35-/m0/s1
+CH$LINK: CHEBI 80054
+CH$LINK: PUBCHEM CID:10509499
+CH$LINK: INCHIKEY OYHPNVXZUBWKJE-NDJHOONXSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-828
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.924 min
+MS$FOCUSED_ION: BASE_PEAK 791.4081
+MS$FOCUSED_ION: PRECURSOR_M/Z 791.4087
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0089-4910000000-5c2493b1c0ea5186edfe
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  60.0443 C2H6NO+ 1 60.0444 -0.84
+  69.0699 C5H9+ 1 69.0699 0.02
+  75.0553 C2H7N2O+ 1 75.0553 0.64
+  81.0449 C4H5N2+ 1 81.0447 1.91
+  82.0525 C4H6N2+ 1 82.0525 -0.17
+  83.0603 C4H7N2+ 1 83.0604 -0.82
+  84.0444 C4H6NO+ 1 84.0444 0.34
+  84.0808 C5H10N+ 1 84.0808 0.24
+  86.0964 C5H12N+ 1 86.0964 -0.41
+  91.0543 C7H7+ 1 91.0542 0.36
+  96.0444 C5H6NO+ 1 96.0444 -0.39
+  96.0809 C6H10N+ 1 96.0808 1.5
+  98.0965 C6H12N+ 1 98.0964 1.17
+  101.0711 C4H9N2O+ 1 101.0709 1.4
+  105.0699 C8H9+ 1 105.0699 -0.02
+  107.0492 C7H7O+ 1 107.0491 0.62
+  109.076 C6H9N2+ 1 109.076 -0.46
+  115.0541 C9H7+ 1 115.0542 -0.85
+  117.0573 C8H7N+ 1 117.0573 -0.16
+  117.0697 C9H9+ 1 117.0699 -1.16
+  121.0649 C8H9O+ 1 121.0648 1.06
+  123.0917 C7H11N2+ 1 123.0917 0
+  124.0995 C7H12N2+ 1 124.0995 -0.4
+  126.0913 C7H12NO+ 1 126.0913 -0.26
+  129.0657 C5H9N2O2+ 1 129.0659 -1.39
+  130.0651 C9H8N+ 1 130.0651 -0.52
+  132.0807 C9H10N+ 1 132.0808 -0.56
+  133.0645 C9H9O+ 1 133.0648 -2.37
+  136.0755 C8H10NO+ 1 136.0757 -1.13
+  144.081 C10H10N+ 1 144.0808 1.64
+  147.0918 C9H11N2+ 1 147.0917 0.55
+  151.0865 C8H11N2O+ 1 151.0866 -0.69
+  152.0342 C7H6NO3+ 1 152.0342 -0.36
+  152.0941 C8H12N2O+ 1 152.0944 -2.26
+  158.0963 C11H12N+ 1 158.0964 -0.58
+  159.0675 C10H9NO+ 1 159.0679 -2.32
+  159.0916 C10H11N2+ 1 159.0917 -0.25
+  161.1073 C10H13N2+ 1 161.1073 0.08
+  172.0991 C11H12N2+ 1 172.0995 -2.34
+  173.1077 C11H13N2+ 1 173.1073 2.44
+  186.1277 C13H16N+ 1 186.1277 -0.3
+  198.1277 C14H16N+ 2 198.1277 -0.17
+  199.0862 C12H11N2O+ 2 199.0866 -1.78
+  201.1026 C12H13N2O+ 1 201.1022 1.75
+  215.1542 C14H19N2+ 2 215.1543 -0.29
+  250.122 C17H16NO+ 3 250.1226 -2.5
+PK$NUM_PEAK: 46
+PK$PEAK: m/z int. rel.int.
+  60.0443 1254759.2 62
+  69.0699 895276.9 44
+  75.0553 1596008.9 79
+  81.0449 1124082 56
+  82.0525 6300216 315
+  83.0603 659078.7 33
+  84.0444 6149956 308
+  84.0808 17552838 879
+  86.0964 3200237.2 160
+  91.0543 5523484 276
+  96.0444 292148.8 14
+  96.0809 814338.6 40
+  98.0965 2498699 125
+  101.0711 774530.8 38
+  105.0699 517279.8 25
+  107.0492 2002304.9 100
+  109.076 3185864 159
+  115.0541 2884803.8 144
+  117.0573 1658728.8 83
+  117.0697 1850468.9 92
+  121.0649 1245778.5 62
+  123.0917 4803410.5 240
+  124.0995 19937956 999
+  126.0913 529764.8 26
+  129.0657 1321500.1 66
+  130.0651 3713945 186
+  132.0807 17286046 866
+  133.0645 1285072.8 64
+  136.0755 2441370 122
+  144.081 1662050.4 83
+  147.0918 1104510.8 55
+  151.0865 2018255.2 101
+  152.0342 579937.3 29
+  152.0941 3739675.8 187
+  158.0963 2009893.2 100
+  159.0675 384906.4 19
+  159.0916 3488634 174
+  161.1073 532596.6 26
+  172.0991 848519 42
+  173.1077 603737.5 30
+  186.1277 638285.6 31
+  198.1277 3783786.5 189
+  199.0862 358715.8 17
+  201.1026 455006.8 22
+  215.1542 13990831 701
+  250.122 1103316.2 55
+//
diff --git a/Eawag/MSBNK-EAWAG-EC092309.txt b/Eawag/MSBNK-EAWAG-EC092309.txt
new file mode 100644
index 0000000000..3754f72155
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC092309.txt
@@ -0,0 +1,143 @@
+ACCESSION: MSBNK-EAWAG-EC092309
+RECORD_TITLE: Nostocyclopeptide A2; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1021/np000316k
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 923
+CH$NAME: Nostocyclopeptide A2
+CH$NAME: 3-[(3S,6S,9R,15S,18S,21S,23S)-18-benzyl-6-[(2S)-butan-2-yl]-3-(hydroxymethyl)-15-[(4-hydroxyphenyl)methyl]-23-methyl-2,5,8,11,14,20-hexaoxo-1,4,7,10,13,16,19-heptazabicyclo[19.3.0]tetracos-16-en-9-yl]propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C40H54N8O9
+CH$EXACT_MASS: 790.4013753
+CH$SMILES: CC[C@@H]([C@H]1C(N[C@@H](CO)C(N2C[C@@H](C)C[C@H]2C(N[C@@H](CC3=CC=CC=C3)/C=N\[C@@H](CC4=CC=C(O)C=C4)C(NCC(N[C@H](CCC(N)=O)C(N1)=O)=O)=O)=O)=O)=O)C
+CH$IUPAC: InChI=1S/C40H54N8O9/c1-4-24(3)35-39(56)46-31(22-49)40(57)48-21-23(2)16-32(48)38(55)44-27(17-25-8-6-5-7-9-25)19-42-30(18-26-10-12-28(50)13-11-26)36(53)43-20-34(52)45-29(37(54)47-35)14-15-33(41)51/h5-13,19,23-24,27,29-32,35,49-50H,4,14-18,20-22H2,1-3H3,(H2,41,51)(H,43,53)(H,44,55)(H,45,52)(H,46,56)(H,47,54)/b42-19-/t23-,24-,27-,29+,30-,31-,32-,35-/m0/s1
+CH$LINK: CHEBI 80054
+CH$LINK: PUBCHEM CID:10509499
+CH$LINK: INCHIKEY OYHPNVXZUBWKJE-NDJHOONXSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-828
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.924 min
+MS$FOCUSED_ION: BASE_PEAK 791.4081
+MS$FOCUSED_ION: PRECURSOR_M/Z 791.4087
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-001i-6900000000-b97dfeb2bde5e38d4292
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  56.0496 C3H6N+ 1 56.0495 1.43
+  60.0443 C2H6NO+ 1 60.0444 -1.41
+  69.0447 C3H5N2+ 1 69.0447 -0.56
+  69.0698 C5H9+ 1 69.0699 -0.64
+  75.0554 C2H7N2O+ 1 75.0553 1.45
+  81.0447 C4H5N2+ 1 81.0447 0.31
+  82.0526 C4H6N2+ 1 82.0525 0.01
+  82.0652 C5H8N+ 1 82.0651 0.54
+  83.0605 C4H7N2+ 1 83.0604 1.11
+  84.0444 C4H6NO+ 1 84.0444 -0.21
+  84.0808 C5H10N+ 1 84.0808 0.05
+  86.0965 C5H12N+ 1 86.0964 0.47
+  91.0543 C7H7+ 1 91.0542 0.53
+  96.0443 C5H6NO+ 1 96.0444 -0.47
+  96.0808 C6H10N+ 1 96.0808 -0.25
+  98.0964 C6H12N+ 1 98.0964 -0.39
+  101.071 C4H9N2O+ 1 101.0709 0.19
+  103.0544 C8H7+ 1 103.0542 1.93
+  105.0699 C8H9+ 1 105.0699 0.2
+  107.0493 C7H7O+ 1 107.0491 1.05
+  109.076 C6H9N2+ 1 109.076 -0.6
+  115.0543 C9H7+ 1 115.0542 0.21
+  117.0573 C8H7N+ 1 117.0573 0.3
+  117.0699 C9H9+ 1 117.0699 -0.12
+  119.0491 C8H7O+ 1 119.0491 -0.76
+  120.0808 C8H10N+ 1 120.0808 0.59
+  121.065 C8H9O+ 1 121.0648 1.95
+  123.0916 C7H11N2+ 1 123.0917 -0.31
+  124.0995 C7H12N2+ 1 124.0995 -0.33
+  130.065 C9H8N+ 1 130.0651 -0.75
+  131.073 C9H9N+ 1 131.073 0.62
+  132.0807 C9H10N+ 1 132.0808 -0.44
+  133.0646 C9H9O+ 1 133.0648 -1.45
+  134.0601 C8H8NO+ 1 134.06 0.26
+  136.0756 C8H10NO+ 1 136.0757 -0.35
+  146.06 C9H8NO+ 1 146.06 -0.59
+  147.0439 C9H7O2+ 1 147.0441 -1.14
+  147.0914 C9H11N2+ 1 147.0917 -2.15
+  148.0757 C9H10NO+ 1 148.0757 -0.1
+  148.0995 C9H12N2+ 1 148.0995 0.27
+  151.0865 C8H11N2O+ 1 151.0866 -0.49
+  152.0345 C7H6NO3+ 1 152.0342 1.95
+  152.0941 C8H12N2O+ 1 152.0944 -1.76
+  158.0967 C11H12N+ 1 158.0964 1.55
+  159.0914 C10H11N2+ 1 159.0917 -1.59
+  171.0915 C11H11N2+ 1 171.0917 -1.21
+  172.0993 C11H12N2+ 1 172.0995 -0.92
+  198.1277 C14H16N+ 2 198.1277 -0.32
+  200.0942 C12H12N2O+ 1 200.0944 -1.15
+  215.1543 C14H19N2+ 2 215.1543 0.13
+PK$NUM_PEAK: 50
+PK$PEAK: m/z int. rel.int.
+  56.0496 524279 33
+  60.0443 1142312.9 72
+  69.0447 393691.6 24
+  69.0698 783480.1 49
+  75.0554 1265876.9 80
+  81.0447 1810789 114
+  82.0526 8589949 543
+  82.0652 575802.2 36
+  83.0605 734116.8 46
+  84.0444 5982677 378
+  84.0808 15783848 999
+  86.0965 2261848 143
+  91.0543 5931187.5 375
+  96.0443 528636 33
+  96.0808 1027344.4 65
+  98.0964 1801347.5 114
+  101.071 356415.2 22
+  103.0544 441149.1 27
+  105.0699 830090.2 52
+  107.0493 2313545.8 146
+  109.076 4953733 313
+  115.0543 3510100 222
+  117.0573 2953705.5 186
+  117.0699 1580005.5 100
+  119.0491 1323688.4 83
+  120.0808 453985.7 28
+  121.065 1173374.9 74
+  123.0916 4703402 297
+  124.0995 14315089 906
+  130.065 3991799.8 252
+  131.073 494157.4 31
+  132.0807 12753954 807
+  133.0646 1442371 91
+  134.0601 293887.8 18
+  136.0756 1612449.9 102
+  146.06 537129.1 33
+  147.0439 687374.7 43
+  147.0914 504836.8 31
+  148.0757 516264.3 32
+  148.0995 303137.9 19
+  151.0865 1449776.4 91
+  152.0345 483612.9 30
+  152.0941 2360750.5 149
+  158.0967 831245.1 52
+  159.0914 2381706.5 150
+  171.0915 600806.5 38
+  172.0993 444401 28
+  198.1277 1644794 104
+  200.0942 502519.7 31
+  215.1543 3598825.5 227
+//
diff --git a/Eawag/MSBNK-EAWAG-EC092351.txt b/Eawag/MSBNK-EAWAG-EC092351.txt
new file mode 100644
index 0000000000..54b7e78c10
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC092351.txt
@@ -0,0 +1,51 @@
+ACCESSION: MSBNK-EAWAG-EC092351
+RECORD_TITLE: Nostocyclopeptide A2; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M-H]-; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1021/np000316k
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 923
+CH$NAME: Nostocyclopeptide A2
+CH$NAME: 3-[(3S,6S,9R,15S,18S,21S,23S)-18-benzyl-6-[(2S)-butan-2-yl]-3-(hydroxymethyl)-15-[(4-hydroxyphenyl)methyl]-23-methyl-2,5,8,11,14,20-hexaoxo-1,4,7,10,13,16,19-heptazabicyclo[19.3.0]tetracos-16-en-9-yl]propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C40H54N8O9
+CH$EXACT_MASS: 790.4013753
+CH$SMILES: CC[C@@H]([C@H]1C(N[C@@H](CO)C(N2C[C@@H](C)C[C@H]2C(N[C@@H](CC3=CC=CC=C3)/C=N\[C@@H](CC4=CC=C(O)C=C4)C(NCC(N[C@H](CCC(N)=O)C(N1)=O)=O)=O)=O)=O)=O)C
+CH$IUPAC: InChI=1S/C40H54N8O9/c1-4-24(3)35-39(56)46-31(22-49)40(57)48-21-23(2)16-32(48)38(55)44-27(17-25-8-6-5-7-9-25)19-42-30(18-26-10-12-28(50)13-11-26)36(53)43-20-34(52)45-29(37(54)47-35)14-15-33(41)51/h5-13,19,23-24,27,29-32,35,49-50H,4,14-18,20-22H2,1-3H3,(H2,41,51)(H,43,53)(H,44,55)(H,45,52)(H,46,56)(H,47,54)/b42-19-/t23-,24-,27-,29+,30-,31-,32-,35-/m0/s1
+CH$LINK: CHEBI 80054
+CH$LINK: PUBCHEM CID:10509499
+CH$LINK: INCHIKEY OYHPNVXZUBWKJE-NDJHOONXSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-826
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.911 min
+MS$FOCUSED_ION: BASE_PEAK 273.1233
+MS$FOCUSED_ION: PRECURSOR_M/Z 789.3941
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0a4i-0000000900-24e1a19f20ed0b05ffc7
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  653.3413 C32H45N8O7- 3 653.3417 -0.64
+  759.3838 C39H51N8O8- 1 759.3835 0.33
+  771.3849 C40H51N8O8- 1 771.3835 1.78
+  789.3938 C40H53N8O9- 1 789.3941 -0.38
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  653.3413 95715.2 21
+  759.3838 4490383.5 999
+  771.3849 64693.3 14
+  789.3938 898754.2 199
+//
diff --git a/Eawag/MSBNK-EAWAG-EC092352.txt b/Eawag/MSBNK-EAWAG-EC092352.txt
new file mode 100644
index 0000000000..72e32a0add
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC092352.txt
@@ -0,0 +1,51 @@
+ACCESSION: MSBNK-EAWAG-EC092352
+RECORD_TITLE: Nostocyclopeptide A2; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M-H]-; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1021/np000316k
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 923
+CH$NAME: Nostocyclopeptide A2
+CH$NAME: 3-[(3S,6S,9R,15S,18S,21S,23S)-18-benzyl-6-[(2S)-butan-2-yl]-3-(hydroxymethyl)-15-[(4-hydroxyphenyl)methyl]-23-methyl-2,5,8,11,14,20-hexaoxo-1,4,7,10,13,16,19-heptazabicyclo[19.3.0]tetracos-16-en-9-yl]propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C40H54N8O9
+CH$EXACT_MASS: 790.4013753
+CH$SMILES: CC[C@@H]([C@H]1C(N[C@@H](CO)C(N2C[C@@H](C)C[C@H]2C(N[C@@H](CC3=CC=CC=C3)/C=N\[C@@H](CC4=CC=C(O)C=C4)C(NCC(N[C@H](CCC(N)=O)C(N1)=O)=O)=O)=O)=O)=O)C
+CH$IUPAC: InChI=1S/C40H54N8O9/c1-4-24(3)35-39(56)46-31(22-49)40(57)48-21-23(2)16-32(48)38(55)44-27(17-25-8-6-5-7-9-25)19-42-30(18-26-10-12-28(50)13-11-26)36(53)43-20-34(52)45-29(37(54)47-35)14-15-33(41)51/h5-13,19,23-24,27,29-32,35,49-50H,4,14-18,20-22H2,1-3H3,(H2,41,51)(H,43,53)(H,44,55)(H,45,52)(H,46,56)(H,47,54)/b42-19-/t23-,24-,27-,29+,30-,31-,32-,35-/m0/s1
+CH$LINK: CHEBI 80054
+CH$LINK: PUBCHEM CID:10509499
+CH$LINK: INCHIKEY OYHPNVXZUBWKJE-NDJHOONXSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-826
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.911 min
+MS$FOCUSED_ION: BASE_PEAK 273.1233
+MS$FOCUSED_ION: PRECURSOR_M/Z 789.3941
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0a4i-0000002900-f887503c704366ef95c8
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  653.3413 C32H45N8O7- 3 653.3417 -0.55
+  665.3415 C33H45N8O7- 3 665.3417 -0.31
+  759.3834 C39H51N8O8- 1 759.3835 -0.23
+  771.384 C40H51N8O8- 1 771.3835 0.6
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  653.3413 1466092.6 247
+  665.3415 103807.7 17
+  759.3834 5926983.5 999
+  771.384 96037 16
+//
diff --git a/Eawag/MSBNK-EAWAG-EC092353.txt b/Eawag/MSBNK-EAWAG-EC092353.txt
new file mode 100644
index 0000000000..37765b57f4
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC092353.txt
@@ -0,0 +1,51 @@
+ACCESSION: MSBNK-EAWAG-EC092353
+RECORD_TITLE: Nostocyclopeptide A2; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M-H]-; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1021/np000316k
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 923
+CH$NAME: Nostocyclopeptide A2
+CH$NAME: 3-[(3S,6S,9R,15S,18S,21S,23S)-18-benzyl-6-[(2S)-butan-2-yl]-3-(hydroxymethyl)-15-[(4-hydroxyphenyl)methyl]-23-methyl-2,5,8,11,14,20-hexaoxo-1,4,7,10,13,16,19-heptazabicyclo[19.3.0]tetracos-16-en-9-yl]propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C40H54N8O9
+CH$EXACT_MASS: 790.4013753
+CH$SMILES: CC[C@@H]([C@H]1C(N[C@@H](CO)C(N2C[C@@H](C)C[C@H]2C(N[C@@H](CC3=CC=CC=C3)/C=N\[C@@H](CC4=CC=C(O)C=C4)C(NCC(N[C@H](CCC(N)=O)C(N1)=O)=O)=O)=O)=O)=O)C
+CH$IUPAC: InChI=1S/C40H54N8O9/c1-4-24(3)35-39(56)46-31(22-49)40(57)48-21-23(2)16-32(48)38(55)44-27(17-25-8-6-5-7-9-25)19-42-30(18-26-10-12-28(50)13-11-26)36(53)43-20-34(52)45-29(37(54)47-35)14-15-33(41)51/h5-13,19,23-24,27,29-32,35,49-50H,4,14-18,20-22H2,1-3H3,(H2,41,51)(H,43,53)(H,44,55)(H,45,52)(H,46,56)(H,47,54)/b42-19-/t23-,24-,27-,29+,30-,31-,32-,35-/m0/s1
+CH$LINK: CHEBI 80054
+CH$LINK: PUBCHEM CID:10509499
+CH$LINK: INCHIKEY OYHPNVXZUBWKJE-NDJHOONXSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-826
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.911 min
+MS$FOCUSED_ION: BASE_PEAK 273.1233
+MS$FOCUSED_ION: PRECURSOR_M/Z 789.3941
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0zfr-0000009500-65f3f6af84a92445ea01
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  372.1671 C17H26NO8- 3 372.1664 1.92
+  653.3416 C32H45N8O7- 3 653.3417 -0.17
+  665.3414 C33H45N8O7- 3 665.3417 -0.4
+  759.3834 C39H51N8O8- 1 759.3835 -0.15
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  372.1671 46181.8 10
+  653.3416 4334687.5 999
+  665.3414 304379.5 70
+  759.3834 2709133 624
+//
diff --git a/Eawag/MSBNK-EAWAG-EC092354.txt b/Eawag/MSBNK-EAWAG-EC092354.txt
new file mode 100644
index 0000000000..a463119c13
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC092354.txt
@@ -0,0 +1,73 @@
+ACCESSION: MSBNK-EAWAG-EC092354
+RECORD_TITLE: Nostocyclopeptide A2; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M-H]-; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1021/np000316k
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 923
+CH$NAME: Nostocyclopeptide A2
+CH$NAME: 3-[(3S,6S,9R,15S,18S,21S,23S)-18-benzyl-6-[(2S)-butan-2-yl]-3-(hydroxymethyl)-15-[(4-hydroxyphenyl)methyl]-23-methyl-2,5,8,11,14,20-hexaoxo-1,4,7,10,13,16,19-heptazabicyclo[19.3.0]tetracos-16-en-9-yl]propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C40H54N8O9
+CH$EXACT_MASS: 790.4013753
+CH$SMILES: CC[C@@H]([C@H]1C(N[C@@H](CO)C(N2C[C@@H](C)C[C@H]2C(N[C@@H](CC3=CC=CC=C3)/C=N\[C@@H](CC4=CC=C(O)C=C4)C(NCC(N[C@H](CCC(N)=O)C(N1)=O)=O)=O)=O)=O)=O)C
+CH$IUPAC: InChI=1S/C40H54N8O9/c1-4-24(3)35-39(56)46-31(22-49)40(57)48-21-23(2)16-32(48)38(55)44-27(17-25-8-6-5-7-9-25)19-42-30(18-26-10-12-28(50)13-11-26)36(53)43-20-34(52)45-29(37(54)47-35)14-15-33(41)51/h5-13,19,23-24,27,29-32,35,49-50H,4,14-18,20-22H2,1-3H3,(H2,41,51)(H,43,53)(H,44,55)(H,45,52)(H,46,56)(H,47,54)/b42-19-/t23-,24-,27-,29+,30-,31-,32-,35-/m0/s1
+CH$LINK: CHEBI 80054
+CH$LINK: PUBCHEM CID:10509499
+CH$LINK: INCHIKEY OYHPNVXZUBWKJE-NDJHOONXSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-826
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.911 min
+MS$FOCUSED_ION: BASE_PEAK 273.1233
+MS$FOCUSED_ION: PRECURSOR_M/Z 789.3941
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0udi-0000109000-c0efbe62ea3822ff2a0e
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  187.0871 C9H9N5- 2 187.0863 4.2
+  244.1079 C11H12N6O- 1 244.1078 0.37
+  293.1282 C16H15N5O- 4 293.1282 -0.09
+  297.1923 C13H29O7- 3 297.1919 1.36
+  323.1714 C14H27O8- 4 323.1711 0.82
+  372.1667 C17H26NO8- 4 372.1664 0.78
+  408.2249 C19H30N5O5- 4 408.2252 -0.77
+  412.1983 C20H30NO8- 5 412.1977 1.55
+  425.2511 C19H33N6O5- 4 425.2518 -1.7
+  482.2731 C21H36N7O6- 3 482.2733 -0.38
+  485.2514 C24H33N6O5- 4 485.2518 -0.77
+  635.3307 C32H43N8O6- 4 635.3311 -0.62
+  653.3414 C32H45N8O7- 3 653.3417 -0.45
+  665.342 C33H45N8O7- 3 665.3417 0.51
+  759.3834 C39H51N8O8- 1 759.3835 -0.15
+PK$NUM_PEAK: 15
+PK$PEAK: m/z int. rel.int.
+  187.0871 69896.8 20
+  244.1079 125437.3 36
+  293.1282 42497.4 12
+  297.1923 71999.5 20
+  323.1714 128293.9 36
+  372.1667 262398.8 75
+  408.2249 90195.4 25
+  412.1983 102252.2 29
+  425.2511 233460.1 67
+  482.2731 264919.9 76
+  485.2514 92612 26
+  635.3307 430204.6 123
+  653.3414 3472682.2 999
+  665.342 203768.4 58
+  759.3834 390641 112
+//
diff --git a/Eawag/MSBNK-EAWAG-EC094301.txt b/Eawag/MSBNK-EAWAG-EC094301.txt
new file mode 100644
index 0000000000..b947a0a364
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC094301.txt
@@ -0,0 +1,49 @@
+ACCESSION: MSBNK-EAWAG-EC094301
+RECORD_TITLE: Nostoginin BN741; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.aquatox.2023.106689
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 947
+CH$NAME: Nostoginin BN741
+CH$NAME: 2-[[2-[[2-[2-[[2-hydroxy-3-(methylamino)decanoyl]amino]propanoyl-methylamino]-4-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C39H59N5O9
+CH$EXACT_MASS: 741.4312785
+CH$SMILES: CCCCCCCC(C(C(NC(C(N(C)C(C(NC(CC1=CC=C(O)C=C1)C(NC(CC2=CC=C(O)C=C2)C(O)=O)=O)=O)CC(C)C)=O)C)=O)O)NC
+CH$IUPAC: InChI=1S/C39H59N5O9/c1-7-8-9-10-11-12-30(40-5)34(47)37(50)41-25(4)38(51)44(6)33(21-24(2)3)36(49)42-31(22-26-13-17-28(45)18-14-26)35(48)43-32(39(52)53)23-27-15-19-29(46)20-16-27/h13-20,24-25,30-34,40,45-47H,7-12,21-23H2,1-6H3,(H,41,50)(H,42,49)(H,43,48)(H,52,53)
+CH$LINK: PUBCHEM CID:77923722
+CH$LINK: INCHIKEY AQINXMPZZHMZRR-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 222163
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-778
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.887 min
+MS$FOCUSED_ION: BASE_PEAK 742.4371
+MS$FOCUSED_ION: PRECURSOR_M/Z 742.4386
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03dj-0000690000-02397878ed49f2b41053
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  86.0964 C5H12N+ 1 86.0964 -0.18
+  448.28 C24H38N3O5+ 3 448.2806 -1.28
+  561.3642 C30H49N4O6+ 3 561.3647 -0.79
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  86.0964 636310.4 13
+  448.28 34803528 756
+  561.3642 45970456 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC094302.txt b/Eawag/MSBNK-EAWAG-EC094302.txt
new file mode 100644
index 0000000000..92a5470229
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC094302.txt
@@ -0,0 +1,65 @@
+ACCESSION: MSBNK-EAWAG-EC094302
+RECORD_TITLE: Nostoginin BN741; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.aquatox.2023.106689
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 947
+CH$NAME: Nostoginin BN741
+CH$NAME: 2-[[2-[[2-[2-[[2-hydroxy-3-(methylamino)decanoyl]amino]propanoyl-methylamino]-4-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C39H59N5O9
+CH$EXACT_MASS: 741.4312785
+CH$SMILES: CCCCCCCC(C(C(NC(C(N(C)C(C(NC(CC1=CC=C(O)C=C1)C(NC(CC2=CC=C(O)C=C2)C(O)=O)=O)=O)CC(C)C)=O)C)=O)O)NC
+CH$IUPAC: InChI=1S/C39H59N5O9/c1-7-8-9-10-11-12-30(40-5)34(47)37(50)41-25(4)38(51)44(6)33(21-24(2)3)36(49)42-31(22-26-13-17-28(45)18-14-26)35(48)43-32(39(52)53)23-27-15-19-29(46)20-16-27/h13-20,24-25,30-34,40,45-47H,7-12,21-23H2,1-6H3,(H,41,50)(H,42,49)(H,43,48)(H,52,53)
+CH$LINK: PUBCHEM CID:77923722
+CH$LINK: INCHIKEY AQINXMPZZHMZRR-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 222163
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-778
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.887 min
+MS$FOCUSED_ION: BASE_PEAK 742.4371
+MS$FOCUSED_ION: PRECURSOR_M/Z 742.4386
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-01ot-1101960000-2cae2c0bba46fb45920b
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  86.0963 C5H12N+ 1 86.0964 -1.42
+  100.1119 C6H14N+ 1 100.1121 -1.97
+  140.1064 C8H14NO+ 1 140.107 -4.12
+  146.117 C7H16NO2+ 1 146.1176 -3.72
+  303.1697 C17H23N2O3+ 2 303.1703 -1.99
+  309.1797 C14H23N5O3+ 3 309.1795 0.43
+  321.1801 C15H23N5O3+ 2 321.1795 1.64
+  430.2697 C24H36N3O4+ 2 430.27 -0.82
+  434.2645 C23H36N3O5+ 2 434.2649 -1.14
+  448.28 C24H38N3O5+ 3 448.2806 -1.35
+  561.3641 C30H49N4O6+ 3 561.3647 -1.01
+PK$NUM_PEAK: 11
+PK$PEAK: m/z int. rel.int.
+  86.0963 6007369.5 134
+  100.1119 3602424 80
+  140.1064 904128.2 20
+  146.117 2971134.2 66
+  303.1697 4437904.5 99
+  309.1797 1176817.6 26
+  321.1801 1673251.6 37
+  430.2697 1212451.2 27
+  434.2645 2431822.5 54
+  448.28 44588420 999
+  561.3641 35099464 786
+//
diff --git a/Eawag/MSBNK-EAWAG-EC094303.txt b/Eawag/MSBNK-EAWAG-EC094303.txt
new file mode 100644
index 0000000000..3c1e5ea51a
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC094303.txt
@@ -0,0 +1,71 @@
+ACCESSION: MSBNK-EAWAG-EC094303
+RECORD_TITLE: Nostoginin BN741; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.aquatox.2023.106689
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 947
+CH$NAME: Nostoginin BN741
+CH$NAME: 2-[[2-[[2-[2-[[2-hydroxy-3-(methylamino)decanoyl]amino]propanoyl-methylamino]-4-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C39H59N5O9
+CH$EXACT_MASS: 741.4312785
+CH$SMILES: CCCCCCCC(C(C(NC(C(N(C)C(C(NC(CC1=CC=C(O)C=C1)C(NC(CC2=CC=C(O)C=C2)C(O)=O)=O)=O)CC(C)C)=O)C)=O)O)NC
+CH$IUPAC: InChI=1S/C39H59N5O9/c1-7-8-9-10-11-12-30(40-5)34(47)37(50)41-25(4)38(51)44(6)33(21-24(2)3)36(49)42-31(22-26-13-17-28(45)18-14-26)35(48)43-32(39(52)53)23-27-15-19-29(46)20-16-27/h13-20,24-25,30-34,40,45-47H,7-12,21-23H2,1-6H3,(H,41,50)(H,42,49)(H,43,48)(H,52,53)
+CH$LINK: PUBCHEM CID:77923722
+CH$LINK: INCHIKEY AQINXMPZZHMZRR-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 222163
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-778
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.887 min
+MS$FOCUSED_ION: BASE_PEAK 742.4371
+MS$FOCUSED_ION: PRECURSOR_M/Z 742.4386
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0f6t-3910820000-17566aed88b69cbfe61b
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  86.0963 C5H12N+ 1 86.0964 -1.51
+  100.1119 C6H14N+ 1 100.1121 -1.74
+  130.1224 C7H16NO+ 1 130.1226 -1.9
+  140.1066 C8H14NO+ 1 140.107 -3.03
+  142.0858 C7H12NO2+ 1 142.0863 -3.27
+  146.1171 C7H16NO2+ 1 146.1176 -2.78
+  243.2062 C11H25N5O+ 2 243.2054 3.29
+  275.1746 C14H21N5O+ 2 275.1741 1.82
+  309.1799 C14H23N5O3+ 2 309.1795 1.22
+  406.2693 C22H36N3O4+ 2 406.27 -1.72
+  434.264 C23H36N3O5+ 2 434.2649 -2.13
+  448.2801 C24H38N3O5+ 3 448.2806 -1.22
+  476.275 C25H38N3O6+ 3 476.2755 -1.02
+  561.3641 C30H49N4O6+ 3 561.3647 -1.01
+PK$NUM_PEAK: 14
+PK$PEAK: m/z int. rel.int.
+  86.0963 11218772 460
+  100.1119 16599500 681
+  130.1224 650526.9 26
+  140.1066 4102402.8 168
+  142.0858 4622421.5 189
+  146.1171 7277654.5 298
+  243.2062 1762978.4 72
+  275.1746 2471542 101
+  309.1799 3278485 134
+  406.2693 694799.7 28
+  434.264 5378709.5 220
+  448.2801 24317082 999
+  476.275 2066861 84
+  561.3641 10054379 413
+//
diff --git a/Eawag/MSBNK-EAWAG-EC094304.txt b/Eawag/MSBNK-EAWAG-EC094304.txt
new file mode 100644
index 0000000000..3666885dd9
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC094304.txt
@@ -0,0 +1,87 @@
+ACCESSION: MSBNK-EAWAG-EC094304
+RECORD_TITLE: Nostoginin BN741; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.aquatox.2023.106689
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 947
+CH$NAME: Nostoginin BN741
+CH$NAME: 2-[[2-[[2-[2-[[2-hydroxy-3-(methylamino)decanoyl]amino]propanoyl-methylamino]-4-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C39H59N5O9
+CH$EXACT_MASS: 741.4312785
+CH$SMILES: CCCCCCCC(C(C(NC(C(N(C)C(C(NC(CC1=CC=C(O)C=C1)C(NC(CC2=CC=C(O)C=C2)C(O)=O)=O)=O)CC(C)C)=O)C)=O)O)NC
+CH$IUPAC: InChI=1S/C39H59N5O9/c1-7-8-9-10-11-12-30(40-5)34(47)37(50)41-25(4)38(51)44(6)33(21-24(2)3)36(49)42-31(22-26-13-17-28(45)18-14-26)35(48)43-32(39(52)53)23-27-15-19-29(46)20-16-27/h13-20,24-25,30-34,40,45-47H,7-12,21-23H2,1-6H3,(H,41,50)(H,42,49)(H,43,48)(H,52,53)
+CH$LINK: PUBCHEM CID:77923722
+CH$LINK: INCHIKEY AQINXMPZZHMZRR-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 222163
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-778
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.887 min
+MS$FOCUSED_ION: BASE_PEAK 742.4371
+MS$FOCUSED_ION: PRECURSOR_M/Z 742.4386
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0udi-1911100000-44f5933c7343ba6fa6c9
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  86.0963 C5H12N+ 1 86.0964 -1.87
+  100.1118 C6H14N+ 1 100.1121 -2.58
+  112.1118 C7H14N+ 1 112.1121 -2.85
+  114.0911 C6H12NO+ 1 114.0913 -2.49
+  130.1224 C7H16NO+ 1 130.1226 -2.14
+  136.0753 C8H10NO+ 1 136.0757 -3.21
+  140.1065 C8H14NO+ 1 140.107 -3.58
+  142.0857 C7H12NO2+ 1 142.0863 -3.7
+  146.117 C7H16NO2+ 1 146.1176 -3.82
+  210.1481 C10H18N4O+ 2 210.1475 2.58
+  243.2057 C11H25N5O+ 2 243.2054 1.22
+  271.2009 C12H25N5O2+ 2 271.2003 2.44
+  274.1431 C14H18N4O2+ 2 274.1424 2.54
+  275.1746 C14H21N5O+ 2 275.1741 2.04
+  295.1643 C13H21N5O3+ 2 295.1639 1.25
+  309.1799 C14H23N5O3+ 2 309.1795 1.12
+  321.1797 C15H23N5O3+ 3 321.1795 0.5
+  331.1641 C16H21N5O3+ 3 331.1639 0.57
+  349.1748 C16H23N5O4+ 3 349.1745 1.04
+  406.2699 C22H36N3O4+ 2 406.27 -0.22
+  434.2639 C23H36N3O5+ 2 434.2649 -2.48
+  448.2799 C24H38N3O5+ 3 448.2806 -1.56
+PK$NUM_PEAK: 22
+PK$PEAK: m/z int. rel.int.
+  86.0963 10771648 272
+  100.1118 39549936 999
+  112.1118 689096.8 17
+  114.0911 1162586.1 29
+  130.1224 1558273.6 39
+  136.0753 2118109.2 53
+  140.1065 8019541.5 202
+  142.0857 5637079.5 142
+  146.117 9270751 234
+  210.1481 2119896 53
+  243.2057 3122057.5 78
+  271.2009 1409268.4 35
+  274.1431 1760210 44
+  275.1746 4208108 106
+  295.1643 999022.8 25
+  309.1799 3714059 93
+  321.1797 2582283 65
+  331.1641 628426.6 15
+  349.1748 1407543.9 35
+  406.2699 1822973.5 46
+  434.2639 3259777 82
+  448.2799 7679123.5 193
+//
diff --git a/Eawag/MSBNK-EAWAG-EC094305.txt b/Eawag/MSBNK-EAWAG-EC094305.txt
new file mode 100644
index 0000000000..9ea220c7d8
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC094305.txt
@@ -0,0 +1,77 @@
+ACCESSION: MSBNK-EAWAG-EC094305
+RECORD_TITLE: Nostoginin BN741; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.aquatox.2023.106689
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 947
+CH$NAME: Nostoginin BN741
+CH$NAME: 2-[[2-[[2-[2-[[2-hydroxy-3-(methylamino)decanoyl]amino]propanoyl-methylamino]-4-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C39H59N5O9
+CH$EXACT_MASS: 741.4312785
+CH$SMILES: CCCCCCCC(C(C(NC(C(N(C)C(C(NC(CC1=CC=C(O)C=C1)C(NC(CC2=CC=C(O)C=C2)C(O)=O)=O)=O)CC(C)C)=O)C)=O)O)NC
+CH$IUPAC: InChI=1S/C39H59N5O9/c1-7-8-9-10-11-12-30(40-5)34(47)37(50)41-25(4)38(51)44(6)33(21-24(2)3)36(49)42-31(22-26-13-17-28(45)18-14-26)35(48)43-32(39(52)53)23-27-15-19-29(46)20-16-27/h13-20,24-25,30-34,40,45-47H,7-12,21-23H2,1-6H3,(H,41,50)(H,42,49)(H,43,48)(H,52,53)
+CH$LINK: PUBCHEM CID:77923722
+CH$LINK: INCHIKEY AQINXMPZZHMZRR-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 222163
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-778
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.887 min
+MS$FOCUSED_ION: BASE_PEAK 742.4371
+MS$FOCUSED_ION: PRECURSOR_M/Z 742.4386
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0udi-0910000000-22dad01b4fb21f4b80be
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  58.0649 C3H8N+ 1 58.0651 -3.41
+  86.0963 C5H12N+ 1 86.0964 -1.16
+  100.1119 C6H14N+ 1 100.1121 -1.74
+  112.1119 C7H14N+ 1 112.1121 -1.97
+  114.0912 C6H12NO+ 1 114.0913 -1.35
+  130.1221 C7H16NO+ 1 130.1226 -4.13
+  131.1175 C6H15N2O+ 1 131.1179 -2.85
+  136.0753 C8H10NO+ 1 136.0757 -2.65
+  140.1066 C8H14NO+ 1 140.107 -2.81
+  142.0858 C7H12NO2+ 1 142.0863 -3.16
+  146.1171 C7H16NO2+ 1 146.1176 -2.99
+  194.0804 C8H10N4O2+ 2 194.0798 2.99
+  210.1481 C10H18N4O+ 2 210.1475 2.87
+  243.2059 C11H25N5O+ 2 243.2054 2.35
+  274.1432 C14H18N4O2+ 2 274.1424 2.76
+  293.1851 C14H23N5O2+ 2 293.1846 1.59
+  303.1699 C17H23N2O3+ 2 303.1703 -1.29
+PK$NUM_PEAK: 17
+PK$PEAK: m/z int. rel.int.
+  58.0649 886872.7 14
+  86.0963 8880461 147
+  100.1119 60277336 999
+  112.1119 2009752.1 33
+  114.0912 2327753.5 38
+  130.1221 1971732.2 32
+  131.1175 940227.8 15
+  136.0753 6381402 105
+  140.1066 7667834 127
+  142.0858 2634747.8 43
+  146.1171 7100524 117
+  194.0804 2250423.2 37
+  210.1481 4423120 73
+  243.2059 2952153.8 48
+  274.1432 2910976 48
+  293.1851 1393802.4 23
+  303.1699 1813727.6 30
+//
diff --git a/Eawag/MSBNK-EAWAG-EC094306.txt b/Eawag/MSBNK-EAWAG-EC094306.txt
new file mode 100644
index 0000000000..99b86be1a7
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC094306.txt
@@ -0,0 +1,67 @@
+ACCESSION: MSBNK-EAWAG-EC094306
+RECORD_TITLE: Nostoginin BN741; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.aquatox.2023.106689
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 947
+CH$NAME: Nostoginin BN741
+CH$NAME: 2-[[2-[[2-[2-[[2-hydroxy-3-(methylamino)decanoyl]amino]propanoyl-methylamino]-4-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C39H59N5O9
+CH$EXACT_MASS: 741.4312785
+CH$SMILES: CCCCCCCC(C(C(NC(C(N(C)C(C(NC(CC1=CC=C(O)C=C1)C(NC(CC2=CC=C(O)C=C2)C(O)=O)=O)=O)CC(C)C)=O)C)=O)O)NC
+CH$IUPAC: InChI=1S/C39H59N5O9/c1-7-8-9-10-11-12-30(40-5)34(47)37(50)41-25(4)38(51)44(6)33(21-24(2)3)36(49)42-31(22-26-13-17-28(45)18-14-26)35(48)43-32(39(52)53)23-27-15-19-29(46)20-16-27/h13-20,24-25,30-34,40,45-47H,7-12,21-23H2,1-6H3,(H,41,50)(H,42,49)(H,43,48)(H,52,53)
+CH$LINK: PUBCHEM CID:77923722
+CH$LINK: INCHIKEY AQINXMPZZHMZRR-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 222163
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-778
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.887 min
+MS$FOCUSED_ION: BASE_PEAK 742.4371
+MS$FOCUSED_ION: PRECURSOR_M/Z 742.4386
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0udi-1900000000-ac0f0bd0e42c930d231b
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  58.065 C3H8N+ 1 58.0651 -1.57
+  86.0963 C5H12N+ 1 86.0964 -1.42
+  100.1119 C6H14N+ 1 100.1121 -2.2
+  112.1117 C7H14N+ 1 112.1121 -3.33
+  114.0911 C6H12NO+ 1 114.0913 -2.02
+  130.1224 C7H16NO+ 1 130.1226 -1.79
+  136.0753 C8H10NO+ 1 136.0757 -3.21
+  140.1066 C8H14NO+ 1 140.107 -2.81
+  146.1171 C7H16NO2+ 1 146.1176 -3.09
+  194.0803 C8H10N4O2+ 2 194.0798 2.68
+  210.1479 C10H18N4O+ 2 210.1475 1.7
+  274.1429 C14H18N4O2+ 2 274.1424 1.87
+PK$NUM_PEAK: 12
+PK$PEAK: m/z int. rel.int.
+  58.065 1837379.4 26
+  86.0963 10088007 147
+  100.1119 68356352 999
+  112.1117 1943492.5 28
+  114.0911 2581917.8 37
+  130.1224 1576720.9 23
+  136.0753 8223463 120
+  140.1066 5641947 82
+  146.1171 4201465.5 61
+  194.0803 2743334 40
+  210.1479 3725849 54
+  274.1429 1780974.1 26
+//
diff --git a/Eawag/MSBNK-EAWAG-EC094307.txt b/Eawag/MSBNK-EAWAG-EC094307.txt
new file mode 100644
index 0000000000..e6f0907f89
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC094307.txt
@@ -0,0 +1,69 @@
+ACCESSION: MSBNK-EAWAG-EC094307
+RECORD_TITLE: Nostoginin BN741; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.aquatox.2023.106689
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 947
+CH$NAME: Nostoginin BN741
+CH$NAME: 2-[[2-[[2-[2-[[2-hydroxy-3-(methylamino)decanoyl]amino]propanoyl-methylamino]-4-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C39H59N5O9
+CH$EXACT_MASS: 741.4312785
+CH$SMILES: CCCCCCCC(C(C(NC(C(N(C)C(C(NC(CC1=CC=C(O)C=C1)C(NC(CC2=CC=C(O)C=C2)C(O)=O)=O)=O)CC(C)C)=O)C)=O)O)NC
+CH$IUPAC: InChI=1S/C39H59N5O9/c1-7-8-9-10-11-12-30(40-5)34(47)37(50)41-25(4)38(51)44(6)33(21-24(2)3)36(49)42-31(22-26-13-17-28(45)18-14-26)35(48)43-32(39(52)53)23-27-15-19-29(46)20-16-27/h13-20,24-25,30-34,40,45-47H,7-12,21-23H2,1-6H3,(H,41,50)(H,42,49)(H,43,48)(H,52,53)
+CH$LINK: PUBCHEM CID:77923722
+CH$LINK: INCHIKEY AQINXMPZZHMZRR-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 222163
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-778
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.887 min
+MS$FOCUSED_ION: BASE_PEAK 742.4371
+MS$FOCUSED_ION: PRECURSOR_M/Z 742.4386
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0udi-1900000000-6e8c0e2dfb9ef4cf6692
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  55.0541 C4H7+ 1 55.0542 -1.56
+  58.0651 C3H8N+ 1 58.0651 -1.18
+  83.0854 C6H11+ 1 83.0855 -1.62
+  86.0963 C5H12N+ 1 86.0964 -0.98
+  100.1119 C6H14N+ 1 100.1121 -1.81
+  107.0489 C7H7O+ 1 107.0491 -2.13
+  112.1116 C7H14N+ 1 112.1121 -4.01
+  114.0911 C6H12NO+ 1 114.0913 -1.89
+  136.0753 C8H10NO+ 1 136.0757 -2.76
+  140.1066 C8H14NO+ 1 140.107 -2.6
+  146.117 C7H16NO2+ 1 146.1176 -3.82
+  194.0804 C8H10N4O2+ 2 194.0798 2.99
+  210.1479 C10H18N4O+ 2 210.1475 1.99
+PK$NUM_PEAK: 13
+PK$PEAK: m/z int. rel.int.
+  55.0541 1531984 24
+  58.0651 4487563 72
+  83.0854 1311668.1 21
+  86.0963 8852953 143
+  100.1119 61618220 999
+  107.0489 1148026.8 18
+  112.1116 1183431.6 19
+  114.0911 2694289 43
+  136.0753 9132968 148
+  140.1066 4144347 67
+  146.117 1729957.9 28
+  194.0804 1431907.5 23
+  210.1479 2489628 40
+//
diff --git a/Eawag/MSBNK-EAWAG-EC094308.txt b/Eawag/MSBNK-EAWAG-EC094308.txt
new file mode 100644
index 0000000000..64b55441f8
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC094308.txt
@@ -0,0 +1,73 @@
+ACCESSION: MSBNK-EAWAG-EC094308
+RECORD_TITLE: Nostoginin BN741; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.aquatox.2023.106689
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 947
+CH$NAME: Nostoginin BN741
+CH$NAME: 2-[[2-[[2-[2-[[2-hydroxy-3-(methylamino)decanoyl]amino]propanoyl-methylamino]-4-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C39H59N5O9
+CH$EXACT_MASS: 741.4312785
+CH$SMILES: CCCCCCCC(C(C(NC(C(N(C)C(C(NC(CC1=CC=C(O)C=C1)C(NC(CC2=CC=C(O)C=C2)C(O)=O)=O)=O)CC(C)C)=O)C)=O)O)NC
+CH$IUPAC: InChI=1S/C39H59N5O9/c1-7-8-9-10-11-12-30(40-5)34(47)37(50)41-25(4)38(51)44(6)33(21-24(2)3)36(49)42-31(22-26-13-17-28(45)18-14-26)35(48)43-32(39(52)53)23-27-15-19-29(46)20-16-27/h13-20,24-25,30-34,40,45-47H,7-12,21-23H2,1-6H3,(H,41,50)(H,42,49)(H,43,48)(H,52,53)
+CH$LINK: PUBCHEM CID:77923722
+CH$LINK: INCHIKEY AQINXMPZZHMZRR-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 222163
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-778
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.887 min
+MS$FOCUSED_ION: BASE_PEAK 742.4371
+MS$FOCUSED_ION: PRECURSOR_M/Z 742.4386
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0udi-2900000000-42990812e083170509df
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  55.0542 C4H7+ 1 55.0542 -0.25
+  56.0494 C3H6N+ 1 56.0495 -1.51
+  58.0651 C3H8N+ 1 58.0651 -0.91
+  83.0855 C6H11+ 1 83.0855 -0.06
+  86.0964 C5H12N+ 1 86.0964 -0.72
+  91.0541 C7H7+ 1 91.0542 -1.28
+  95.0856 C7H11+ 1 95.0855 0.34
+  100.1119 C6H14N+ 1 100.1121 -1.59
+  107.0489 C7H7O+ 1 107.0491 -2.42
+  112.1119 C7H14N+ 1 112.1121 -1.9
+  114.091 C6H12NO+ 1 114.0913 -2.55
+  119.0488 C8H7O+ 1 119.0491 -2.68
+  136.0753 C8H10NO+ 1 136.0757 -2.76
+  140.1068 C8H14NO+ 1 140.107 -1.4
+  152.07 C8H10NO2+ 2 152.0706 -4.04
+PK$NUM_PEAK: 15
+PK$PEAK: m/z int. rel.int.
+  55.0542 2387479.5 53
+  56.0494 819238.5 18
+  58.0651 6883901.5 154
+  83.0855 1336444.1 30
+  86.0964 7085501 159
+  91.0541 1043365.2 23
+  95.0856 626802.6 14
+  100.1119 44462548 999
+  107.0489 1341776.5 30
+  112.1119 825676.3 18
+  114.091 1674798.4 37
+  119.0488 1274362.2 28
+  136.0753 8230254.5 184
+  140.1068 2539835.5 57
+  152.07 1302002.8 29
+//
diff --git a/Eawag/MSBNK-EAWAG-EC094309.txt b/Eawag/MSBNK-EAWAG-EC094309.txt
new file mode 100644
index 0000000000..d536bcee7a
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC094309.txt
@@ -0,0 +1,65 @@
+ACCESSION: MSBNK-EAWAG-EC094309
+RECORD_TITLE: Nostoginin BN741; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.aquatox.2023.106689
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 947
+CH$NAME: Nostoginin BN741
+CH$NAME: 2-[[2-[[2-[2-[[2-hydroxy-3-(methylamino)decanoyl]amino]propanoyl-methylamino]-4-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C39H59N5O9
+CH$EXACT_MASS: 741.4312785
+CH$SMILES: CCCCCCCC(C(C(NC(C(N(C)C(C(NC(CC1=CC=C(O)C=C1)C(NC(CC2=CC=C(O)C=C2)C(O)=O)=O)=O)CC(C)C)=O)C)=O)O)NC
+CH$IUPAC: InChI=1S/C39H59N5O9/c1-7-8-9-10-11-12-30(40-5)34(47)37(50)41-25(4)38(51)44(6)33(21-24(2)3)36(49)42-31(22-26-13-17-28(45)18-14-26)35(48)43-32(39(52)53)23-27-15-19-29(46)20-16-27/h13-20,24-25,30-34,40,45-47H,7-12,21-23H2,1-6H3,(H,41,50)(H,42,49)(H,43,48)(H,52,53)
+CH$LINK: PUBCHEM CID:77923722
+CH$LINK: INCHIKEY AQINXMPZZHMZRR-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 222163
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-778
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.887 min
+MS$FOCUSED_ION: BASE_PEAK 742.4371
+MS$FOCUSED_ION: PRECURSOR_M/Z 742.4386
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0udi-4900000000-4eb7fa9abd01b645733b
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  55.0542 C4H7+ 1 55.0542 -0.94
+  58.0651 C3H8N+ 1 58.0651 -0.98
+  83.0856 C6H11+ 1 83.0855 0.31
+  86.0963 C5H12N+ 1 86.0964 -1.07
+  91.0541 C7H7+ 1 91.0542 -1.28
+  100.1119 C6H14N+ 1 100.1121 -1.59
+  107.0491 C7H7O+ 1 107.0491 -0.07
+  114.0912 C6H12NO+ 1 114.0913 -1.48
+  119.0489 C8H7O+ 1 119.0491 -2.17
+  136.0753 C8H10NO+ 1 136.0757 -3.1
+  140.1066 C8H14NO+ 1 140.107 -2.49
+PK$NUM_PEAK: 11
+PK$PEAK: m/z int. rel.int.
+  55.0542 3314410.5 112
+  58.0651 8385597 285
+  83.0856 1263101.9 42
+  86.0963 5442750.5 185
+  91.0541 2650653.5 90
+  100.1119 29378004 999
+  107.0491 1415916.5 48
+  114.0912 1162737.5 39
+  119.0489 2317867.5 78
+  136.0753 6473121 220
+  140.1066 1328964.6 45
+//
diff --git a/Eawag/MSBNK-EAWAG-EC094351.txt b/Eawag/MSBNK-EAWAG-EC094351.txt
new file mode 100644
index 0000000000..61392f21c9
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC094351.txt
@@ -0,0 +1,45 @@
+ACCESSION: MSBNK-EAWAG-EC094351
+RECORD_TITLE: Nostoginin BN741; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.aquatox.2023.106689
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 947
+CH$NAME: Nostoginin BN741
+CH$NAME: 2-[[2-[[2-[2-[[2-hydroxy-3-(methylamino)decanoyl]amino]propanoyl-methylamino]-4-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C39H59N5O9
+CH$EXACT_MASS: 741.4312785
+CH$SMILES: CCCCCCCC(C(C(NC(C(N(C)C(C(NC(CC1=CC=C(O)C=C1)C(NC(CC2=CC=C(O)C=C2)C(O)=O)=O)=O)CC(C)C)=O)C)=O)O)NC
+CH$IUPAC: InChI=1S/C39H59N5O9/c1-7-8-9-10-11-12-30(40-5)34(47)37(50)41-25(4)38(51)44(6)33(21-24(2)3)36(49)42-31(22-26-13-17-28(45)18-14-26)35(48)43-32(39(52)53)23-27-15-19-29(46)20-16-27/h13-20,24-25,30-34,40,45-47H,7-12,21-23H2,1-6H3,(H,41,50)(H,42,49)(H,43,48)(H,52,53)
+CH$LINK: PUBCHEM CID:77923722
+CH$LINK: INCHIKEY AQINXMPZZHMZRR-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 222163
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-776
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.874 min
+MS$FOCUSED_ION: BASE_PEAK 740.4236
+MS$FOCUSED_ION: PRECURSOR_M/Z 740.424
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0006-0000000900-19d09de08d2064bd3f51
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  740.4237 C39H58N5O9- 1 740.424 -0.4
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  740.4237 38003156 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC094352.txt b/Eawag/MSBNK-EAWAG-EC094352.txt
new file mode 100644
index 0000000000..8f4f171257
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC094352.txt
@@ -0,0 +1,45 @@
+ACCESSION: MSBNK-EAWAG-EC094352
+RECORD_TITLE: Nostoginin BN741; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.aquatox.2023.106689
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 947
+CH$NAME: Nostoginin BN741
+CH$NAME: 2-[[2-[[2-[2-[[2-hydroxy-3-(methylamino)decanoyl]amino]propanoyl-methylamino]-4-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C39H59N5O9
+CH$EXACT_MASS: 741.4312785
+CH$SMILES: CCCCCCCC(C(C(NC(C(N(C)C(C(NC(CC1=CC=C(O)C=C1)C(NC(CC2=CC=C(O)C=C2)C(O)=O)=O)=O)CC(C)C)=O)C)=O)O)NC
+CH$IUPAC: InChI=1S/C39H59N5O9/c1-7-8-9-10-11-12-30(40-5)34(47)37(50)41-25(4)38(51)44(6)33(21-24(2)3)36(49)42-31(22-26-13-17-28(45)18-14-26)35(48)43-32(39(52)53)23-27-15-19-29(46)20-16-27/h13-20,24-25,30-34,40,45-47H,7-12,21-23H2,1-6H3,(H,41,50)(H,42,49)(H,43,48)(H,52,53)
+CH$LINK: PUBCHEM CID:77923722
+CH$LINK: INCHIKEY AQINXMPZZHMZRR-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 222163
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-776
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.874 min
+MS$FOCUSED_ION: BASE_PEAK 740.4236
+MS$FOCUSED_ION: PRECURSOR_M/Z 740.424
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0006-0000000900-4ac7b523defbabb86aa7
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  740.4236 C39H58N5O9- 1 740.424 -0.48
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  740.4236 30635556 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC094353.txt b/Eawag/MSBNK-EAWAG-EC094353.txt
new file mode 100644
index 0000000000..3987faf6ed
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC094353.txt
@@ -0,0 +1,53 @@
+ACCESSION: MSBNK-EAWAG-EC094353
+RECORD_TITLE: Nostoginin BN741; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.aquatox.2023.106689
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 947
+CH$NAME: Nostoginin BN741
+CH$NAME: 2-[[2-[[2-[2-[[2-hydroxy-3-(methylamino)decanoyl]amino]propanoyl-methylamino]-4-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C39H59N5O9
+CH$EXACT_MASS: 741.4312785
+CH$SMILES: CCCCCCCC(C(C(NC(C(N(C)C(C(NC(CC1=CC=C(O)C=C1)C(NC(CC2=CC=C(O)C=C2)C(O)=O)=O)=O)CC(C)C)=O)C)=O)O)NC
+CH$IUPAC: InChI=1S/C39H59N5O9/c1-7-8-9-10-11-12-30(40-5)34(47)37(50)41-25(4)38(51)44(6)33(21-24(2)3)36(49)42-31(22-26-13-17-28(45)18-14-26)35(48)43-32(39(52)53)23-27-15-19-29(46)20-16-27/h13-20,24-25,30-34,40,45-47H,7-12,21-23H2,1-6H3,(H,41,50)(H,42,49)(H,43,48)(H,52,53)
+CH$LINK: PUBCHEM CID:77923722
+CH$LINK: INCHIKEY AQINXMPZZHMZRR-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 222163
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-776
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.874 min
+MS$FOCUSED_ION: BASE_PEAK 740.4236
+MS$FOCUSED_ION: PRECURSOR_M/Z 740.424
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0006-0000000900-93378bdd089366bef770
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  180.0655 C7H8N4O2- 1 180.0653 1.41
+  293.15 C13H19N5O3- 2 293.1493 2.35
+  420.2502 C22H34N3O5- 2 420.2504 -0.43
+  634.3817 C32H52N5O8- 2 634.3821 -0.62
+  740.4234 C39H58N5O9- 1 740.424 -0.81
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  180.0655 485481.5 23
+  293.15 753700 36
+  420.2502 827281.9 40
+  634.3817 508790.5 24
+  740.4234 20380638 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC094354.txt b/Eawag/MSBNK-EAWAG-EC094354.txt
new file mode 100644
index 0000000000..c760e853f4
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC094354.txt
@@ -0,0 +1,69 @@
+ACCESSION: MSBNK-EAWAG-EC094354
+RECORD_TITLE: Nostoginin BN741; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.aquatox.2023.106689
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 947
+CH$NAME: Nostoginin BN741
+CH$NAME: 2-[[2-[[2-[2-[[2-hydroxy-3-(methylamino)decanoyl]amino]propanoyl-methylamino]-4-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C39H59N5O9
+CH$EXACT_MASS: 741.4312785
+CH$SMILES: CCCCCCCC(C(C(NC(C(N(C)C(C(NC(CC1=CC=C(O)C=C1)C(NC(CC2=CC=C(O)C=C2)C(O)=O)=O)=O)CC(C)C)=O)C)=O)O)NC
+CH$IUPAC: InChI=1S/C39H59N5O9/c1-7-8-9-10-11-12-30(40-5)34(47)37(50)41-25(4)38(51)44(6)33(21-24(2)3)36(49)42-31(22-26-13-17-28(45)18-14-26)35(48)43-32(39(52)53)23-27-15-19-29(46)20-16-27/h13-20,24-25,30-34,40,45-47H,7-12,21-23H2,1-6H3,(H,41,50)(H,42,49)(H,43,48)(H,52,53)
+CH$LINK: PUBCHEM CID:77923722
+CH$LINK: INCHIKEY AQINXMPZZHMZRR-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 222163
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-776
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.874 min
+MS$FOCUSED_ION: BASE_PEAK 740.4236
+MS$FOCUSED_ION: PRECURSOR_M/Z 740.424
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0006-0222111900-51f03880cbebafc63d3e
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  180.0657 C7H8N4O2- 2 180.0653 2.6
+  183.1134 C7H13N5O- 2 183.1126 4.41
+  213.1235 C8H15N5O2- 2 213.1231 1.55
+  249.1601 C14H21N2O2- 2 249.1609 -3.2
+  293.1497 C13H19N5O3- 2 293.1493 1.31
+  340.2235 C17H30N3O4- 1 340.2242 -2
+  350.2083 C18H28N3O4- 2 350.2085 -0.59
+  371.2658 C18H35N4O4- 2 371.2664 -1.56
+  420.2497 C22H34N3O5- 3 420.2504 -1.59
+  559.3489 C30H47N4O6- 3 559.3501 -2.1
+  590.3907 C31H52N5O6- 2 590.3923 -2.79
+  634.3809 C32H52N5O8- 2 634.3821 -1.97
+  740.4233 C39H58N5O9- 1 740.424 -0.89
+PK$NUM_PEAK: 13
+PK$PEAK: m/z int. rel.int.
+  180.0657 2017539.9 211
+  183.1134 350070.8 36
+  213.1235 156522 16
+  249.1601 539514.2 56
+  293.1497 2214296.8 232
+  340.2235 1435269.5 150
+  350.2083 448851.4 47
+  371.2658 392523.3 41
+  420.2497 1627297.1 170
+  559.3489 725522.8 76
+  590.3907 472517.6 49
+  634.3809 1378373.1 144
+  740.4233 9520419 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC094355.txt b/Eawag/MSBNK-EAWAG-EC094355.txt
new file mode 100644
index 0000000000..a20e0a807e
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC094355.txt
@@ -0,0 +1,71 @@
+ACCESSION: MSBNK-EAWAG-EC094355
+RECORD_TITLE: Nostoginin BN741; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.aquatox.2023.106689
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 947
+CH$NAME: Nostoginin BN741
+CH$NAME: 2-[[2-[[2-[2-[[2-hydroxy-3-(methylamino)decanoyl]amino]propanoyl-methylamino]-4-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C39H59N5O9
+CH$EXACT_MASS: 741.4312785
+CH$SMILES: CCCCCCCC(C(C(NC(C(N(C)C(C(NC(CC1=CC=C(O)C=C1)C(NC(CC2=CC=C(O)C=C2)C(O)=O)=O)=O)CC(C)C)=O)C)=O)O)NC
+CH$IUPAC: InChI=1S/C39H59N5O9/c1-7-8-9-10-11-12-30(40-5)34(47)37(50)41-25(4)38(51)44(6)33(21-24(2)3)36(49)42-31(22-26-13-17-28(45)18-14-26)35(48)43-32(39(52)53)23-27-15-19-29(46)20-16-27/h13-20,24-25,30-34,40,45-47H,7-12,21-23H2,1-6H3,(H,41,50)(H,42,49)(H,43,48)(H,52,53)
+CH$LINK: PUBCHEM CID:77923722
+CH$LINK: INCHIKEY AQINXMPZZHMZRR-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 222163
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-776
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.874 min
+MS$FOCUSED_ION: BASE_PEAK 740.4236
+MS$FOCUSED_ION: PRECURSOR_M/Z 740.424
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-001l-0951000000-523f86db2cf7d728dd2c
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  74.0247 C2H4NO2- 1 74.0248 -1.13
+  119.0501 C8H7O- 1 119.0502 -1.49
+  129.103 C6H13N2O- 1 129.1033 -2.72
+  155.0818 C7H11N2O2- 2 155.0826 -4.87
+  163.0391 C7H5N3O2- 1 163.0387 2.4
+  180.0656 C7H8N4O2- 1 180.0653 1.92
+  183.1129 C7H13N5O- 1 183.1126 1.74
+  187.1435 C7H17N5O- 1 187.1439 -1.69
+  195.1129 C8H13N5O- 1 195.1126 1.51
+  241.1183 C11H17N2O4- 2 241.1194 -4.38
+  249.1597 C14H21N2O2- 2 249.1609 -4.67
+  293.1496 C13H19N5O3- 2 293.1493 0.79
+  340.2232 C17H30N3O4- 1 340.2242 -2.8
+  420.2493 C22H34N3O5- 2 420.2504 -2.68
+PK$NUM_PEAK: 14
+PK$PEAK: m/z int. rel.int.
+  74.0247 328105.9 63
+  119.0501 650481.9 126
+  129.103 710124.6 138
+  155.0818 1063503.8 206
+  163.0391 680295.4 132
+  180.0656 5136578.5 999
+  183.1129 2321632.2 451
+  187.1435 348492.8 67
+  195.1129 574342.8 111
+  241.1183 444626.2 86
+  249.1597 3047839.2 592
+  293.1496 3117595.8 606
+  340.2232 2374445 461
+  420.2493 928795.8 180
+//
diff --git a/Eawag/MSBNK-EAWAG-EC094356.txt b/Eawag/MSBNK-EAWAG-EC094356.txt
new file mode 100644
index 0000000000..5caed9c72e
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC094356.txt
@@ -0,0 +1,75 @@
+ACCESSION: MSBNK-EAWAG-EC094356
+RECORD_TITLE: Nostoginin BN741; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.aquatox.2023.106689
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 947
+CH$NAME: Nostoginin BN741
+CH$NAME: 2-[[2-[[2-[2-[[2-hydroxy-3-(methylamino)decanoyl]amino]propanoyl-methylamino]-4-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C39H59N5O9
+CH$EXACT_MASS: 741.4312785
+CH$SMILES: CCCCCCCC(C(C(NC(C(N(C)C(C(NC(CC1=CC=C(O)C=C1)C(NC(CC2=CC=C(O)C=C2)C(O)=O)=O)=O)CC(C)C)=O)C)=O)O)NC
+CH$IUPAC: InChI=1S/C39H59N5O9/c1-7-8-9-10-11-12-30(40-5)34(47)37(50)41-25(4)38(51)44(6)33(21-24(2)3)36(49)42-31(22-26-13-17-28(45)18-14-26)35(48)43-32(39(52)53)23-27-15-19-29(46)20-16-27/h13-20,24-25,30-34,40,45-47H,7-12,21-23H2,1-6H3,(H,41,50)(H,42,49)(H,43,48)(H,52,53)
+CH$LINK: PUBCHEM CID:77923722
+CH$LINK: INCHIKEY AQINXMPZZHMZRR-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 222163
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-776
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.874 min
+MS$FOCUSED_ION: BASE_PEAK 740.4236
+MS$FOCUSED_ION: PRECURSOR_M/Z 740.424
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-001j-1920000000-21e80bf654cf38294cb4
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  74.0247 C2H4NO2- 1 74.0248 -0.92
+  87.0563 C3H7N2O- 1 87.0564 -0.93
+  93.0346 C6H5O- 1 93.0346 0.2
+  119.05 C8H7O- 1 119.0502 -1.94
+  129.103 C6H13N2O- 1 129.1033 -2.95
+  134.0608 C8H8NO- 1 134.0611 -2.61
+  143.1184 C7H15N2O- 1 143.119 -4.27
+  155.0819 C7H11N2O2- 2 155.0826 -4.48
+  157.134 C8H17N2O- 2 157.1346 -3.99
+  163.0393 C7H5N3O2- 2 163.0387 3.71
+  180.0656 C7H8N4O2- 1 180.0653 1.83
+  183.1129 C7H13N5O- 1 183.1126 1.83
+  187.1077 C6H13N5O2- 1 187.1075 0.97
+  195.1126 C8H13N5O- 1 195.1126 0.33
+  249.1597 C14H21N2O2- 2 249.1609 -4.73
+  293.1498 C13H19N5O3- 2 293.1493 1.73
+PK$NUM_PEAK: 16
+PK$PEAK: m/z int. rel.int.
+  74.0247 676709.4 158
+  87.0563 1825770.5 427
+  93.0346 462269.7 108
+  119.05 1466339.1 343
+  129.103 2531718.8 592
+  134.0608 818203 191
+  143.1184 318932 74
+  155.0819 1428821.2 334
+  157.134 694538.6 162
+  163.0393 1403037.5 328
+  180.0656 4266627 999
+  183.1129 4065650.8 951
+  187.1077 713486.9 167
+  195.1126 791216.6 185
+  249.1597 4077196.2 954
+  293.1498 756623.1 177
+//
diff --git a/Eawag/MSBNK-EAWAG-EC094357.txt b/Eawag/MSBNK-EAWAG-EC094357.txt
new file mode 100644
index 0000000000..6ddcff7526
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC094357.txt
@@ -0,0 +1,61 @@
+ACCESSION: MSBNK-EAWAG-EC094357
+RECORD_TITLE: Nostoginin BN741; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.aquatox.2023.106689
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 947
+CH$NAME: Nostoginin BN741
+CH$NAME: 2-[[2-[[2-[2-[[2-hydroxy-3-(methylamino)decanoyl]amino]propanoyl-methylamino]-4-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C39H59N5O9
+CH$EXACT_MASS: 741.4312785
+CH$SMILES: CCCCCCCC(C(C(NC(C(N(C)C(C(NC(CC1=CC=C(O)C=C1)C(NC(CC2=CC=C(O)C=C2)C(O)=O)=O)=O)CC(C)C)=O)C)=O)O)NC
+CH$IUPAC: InChI=1S/C39H59N5O9/c1-7-8-9-10-11-12-30(40-5)34(47)37(50)41-25(4)38(51)44(6)33(21-24(2)3)36(49)42-31(22-26-13-17-28(45)18-14-26)35(48)43-32(39(52)53)23-27-15-19-29(46)20-16-27/h13-20,24-25,30-34,40,45-47H,7-12,21-23H2,1-6H3,(H,41,50)(H,42,49)(H,43,48)(H,52,53)
+CH$LINK: PUBCHEM CID:77923722
+CH$LINK: INCHIKEY AQINXMPZZHMZRR-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 222163
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-776
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.874 min
+MS$FOCUSED_ION: BASE_PEAK 740.4236
+MS$FOCUSED_ION: PRECURSOR_M/Z 740.424
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-001i-2900000000-b3090f1733a35f5c3d0c
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  72.0089 C2H2NO2- 1 72.0091 -2.32
+  87.0563 C3H7N2O- 1 87.0564 -0.75
+  129.1031 C6H13N2O- 1 129.1033 -2.13
+  134.0608 C8H8NO- 1 134.0611 -2.38
+  144.1022 C5H12N4O- 1 144.1017 3.99
+  155.082 C7H11N2O2- 2 155.0826 -4.08
+  163.0393 C7H5N3O2- 2 163.0387 3.71
+  180.0657 C7H8N4O2- 1 180.0653 2.34
+  183.1129 C7H13N5O- 1 183.1126 2.08
+PK$NUM_PEAK: 9
+PK$PEAK: m/z int. rel.int.
+  72.0089 398100 149
+  87.0563 2309367 864
+  129.1031 2583500 967
+  134.0608 1125828.6 421
+  144.1022 373897.1 139
+  155.082 1186407.6 444
+  163.0393 1155743.2 432
+  180.0657 1714485.9 641
+  183.1129 2668951.5 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC094358.txt b/Eawag/MSBNK-EAWAG-EC094358.txt
new file mode 100644
index 0000000000..9c91d49a76
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC094358.txt
@@ -0,0 +1,65 @@
+ACCESSION: MSBNK-EAWAG-EC094358
+RECORD_TITLE: Nostoginin BN741; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.aquatox.2023.106689
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 947
+CH$NAME: Nostoginin BN741
+CH$NAME: 2-[[2-[[2-[2-[[2-hydroxy-3-(methylamino)decanoyl]amino]propanoyl-methylamino]-4-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C39H59N5O9
+CH$EXACT_MASS: 741.4312785
+CH$SMILES: CCCCCCCC(C(C(NC(C(N(C)C(C(NC(CC1=CC=C(O)C=C1)C(NC(CC2=CC=C(O)C=C2)C(O)=O)=O)=O)CC(C)C)=O)C)=O)O)NC
+CH$IUPAC: InChI=1S/C39H59N5O9/c1-7-8-9-10-11-12-30(40-5)34(47)37(50)41-25(4)38(51)44(6)33(21-24(2)3)36(49)42-31(22-26-13-17-28(45)18-14-26)35(48)43-32(39(52)53)23-27-15-19-29(46)20-16-27/h13-20,24-25,30-34,40,45-47H,7-12,21-23H2,1-6H3,(H,41,50)(H,42,49)(H,43,48)(H,52,53)
+CH$LINK: PUBCHEM CID:77923722
+CH$LINK: INCHIKEY AQINXMPZZHMZRR-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 222163
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-776
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.874 min
+MS$FOCUSED_ION: BASE_PEAK 740.4236
+MS$FOCUSED_ION: PRECURSOR_M/Z 740.424
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00o9-3900000000-aa6587921818109bbe1f
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  58.0298 C2H4NO- 1 58.0298 -1.17
+  87.0563 C3H7N2O- 1 87.0564 -0.58
+  93.0346 C6H5O- 1 93.0346 0.53
+  119.0501 C8H7O- 1 119.0502 -1.43
+  129.1032 C6H13N2O- 1 129.1033 -0.94
+  134.0608 C8H8NO- 1 134.0611 -2.15
+  155.0821 C7H11N2O2- 1 155.0826 -3.3
+  157.1339 C8H17N2O- 2 157.1346 -4.47
+  163.0393 C7H5N3O2- 2 163.0387 3.62
+  180.0656 C7H8N4O2- 1 180.0653 1.66
+  183.1131 C7H13N5O- 2 183.1126 2.74
+PK$NUM_PEAK: 11
+PK$PEAK: m/z int. rel.int.
+  58.0298 345606.2 138
+  87.0563 2500470.8 999
+  93.0346 536553.7 214
+  119.0501 1958422.6 782
+  129.1032 1683528.8 672
+  134.0608 827003.9 330
+  155.0821 717515.9 286
+  157.1339 546848.3 218
+  163.0393 763996.8 305
+  180.0656 532617.8 212
+  183.1131 1352750.2 540
+//
diff --git a/Eawag/MSBNK-EAWAG-EC094359.txt b/Eawag/MSBNK-EAWAG-EC094359.txt
new file mode 100644
index 0000000000..3e6cbb5c68
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC094359.txt
@@ -0,0 +1,59 @@
+ACCESSION: MSBNK-EAWAG-EC094359
+RECORD_TITLE: Nostoginin BN741; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.aquatox.2023.106689
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 947
+CH$NAME: Nostoginin BN741
+CH$NAME: 2-[[2-[[2-[2-[[2-hydroxy-3-(methylamino)decanoyl]amino]propanoyl-methylamino]-4-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C39H59N5O9
+CH$EXACT_MASS: 741.4312785
+CH$SMILES: CCCCCCCC(C(C(NC(C(N(C)C(C(NC(CC1=CC=C(O)C=C1)C(NC(CC2=CC=C(O)C=C2)C(O)=O)=O)=O)CC(C)C)=O)C)=O)O)NC
+CH$IUPAC: InChI=1S/C39H59N5O9/c1-7-8-9-10-11-12-30(40-5)34(47)37(50)41-25(4)38(51)44(6)33(21-24(2)3)36(49)42-31(22-26-13-17-28(45)18-14-26)35(48)43-32(39(52)53)23-27-15-19-29(46)20-16-27/h13-20,24-25,30-34,40,45-47H,7-12,21-23H2,1-6H3,(H,41,50)(H,42,49)(H,43,48)(H,52,53)
+CH$LINK: PUBCHEM CID:77923722
+CH$LINK: INCHIKEY AQINXMPZZHMZRR-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 222163
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-776
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.874 min
+MS$FOCUSED_ION: BASE_PEAK 740.4236
+MS$FOCUSED_ION: PRECURSOR_M/Z 740.424
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00li-7900000000-f5da15d1cb7a459d87f2
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  74.0247 C2H4NO2- 1 74.0248 -1.13
+  87.0564 C3H7N2O- 1 87.0564 -0.4
+  93.0347 C6H5O- 1 93.0346 0.94
+  119.0501 C8H7O- 1 119.0502 -1.36
+  125.0354 C5H5N2O2- 1 125.0357 -2.35
+  133.0531 C8H7NO- 1 133.0533 -1.65
+  134.0608 C8H8NO- 1 134.0611 -2.83
+  183.1129 C7H13N5O- 1 183.1126 1.99
+PK$NUM_PEAK: 8
+PK$PEAK: m/z int. rel.int.
+  74.0247 408890.6 176
+  87.0564 2309120 999
+  93.0347 402174.4 173
+  119.0501 1799955.5 778
+  125.0354 533509 230
+  133.0531 344234.4 148
+  134.0608 602810.6 260
+  183.1129 520175.7 225
+//
diff --git a/Eawag/MSBNK-EAWAG-EC099301.txt b/Eawag/MSBNK-EAWAG-EC099301.txt
new file mode 100644
index 0000000000..42c67c01e5
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC099301.txt
@@ -0,0 +1,53 @@
+ACCESSION: MSBNK-EAWAG-EC099301
+RECORD_TITLE: Bartoloside F; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.6b00351
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 993
+CH$NAME: Bartoloside F
+CH$NAME: (2S,3R,4S,5R)-2-(2-(6-chlorododecyl)-5-(6-chlorotetradecyl)-3-hydroxyphenoxy)tetrahydro-2H-pyran-3,4,5-triol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C37H64Cl2O6
+CH$EXACT_MASS: 674.4079951
+CH$SMILES: CCCCCCCCC(CCCCCC1=CC(=C(C(=C1)O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)CCCCCC(CCCCCC)Cl)O)Cl
+CH$IUPAC: InChI=1S/C37H64Cl2O6/c1-3-5-7-9-10-15-21-30(39)22-16-11-13-19-28-25-32(40)31(24-18-12-17-23-29(38)20-14-8-6-4-2)34(26-28)45-37-36(43)35(42)33(41)27-44-37/h25-26,29-30,33,35-37,40-43H,3-24,27H2,1-2H3/t29?,30?,33-,35+,36-,37+/m1/s1
+CH$LINK: PUBCHEM CID:132582909
+CH$LINK: INCHIKEY IWIZOMWAHIZTOM-ZQWJTRQNSA-N
+CH$LINK: CHEMSPIDER 58197376
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-710
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 17.082 min
+MS$FOCUSED_ION: BASE_PEAK 543.3723
+MS$FOCUSED_ION: PRECURSOR_M/Z 675.4153
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0006-0000093000-9f6f5b9e1d72235731c5
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  73.0284 C3H5O2+ 1 73.0284 -0.72
+  507.3957 C32H56ClO2+ 2 507.3963 -1.22
+  543.3724 C32H57Cl2O2+ 1 543.373 -1.11
+  603.4183 C37H60ClO4+ 1 603.4175 1.46
+  675.415 C37H65Cl2O6+ 1 675.4153 -0.46
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  73.0284 495992.4 86
+  507.3957 263084 45
+  543.3724 5761555 999
+  603.4183 612700.8 106
+  675.415 1885600.2 326
+//
diff --git a/Eawag/MSBNK-EAWAG-EC099302.txt b/Eawag/MSBNK-EAWAG-EC099302.txt
new file mode 100644
index 0000000000..0cbb5d375a
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC099302.txt
@@ -0,0 +1,69 @@
+ACCESSION: MSBNK-EAWAG-EC099302
+RECORD_TITLE: Bartoloside F; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.6b00351
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 993
+CH$NAME: Bartoloside F
+CH$NAME: (2S,3R,4S,5R)-2-(2-(6-chlorododecyl)-5-(6-chlorotetradecyl)-3-hydroxyphenoxy)tetrahydro-2H-pyran-3,4,5-triol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C37H64Cl2O6
+CH$EXACT_MASS: 674.4079951
+CH$SMILES: CCCCCCCCC(CCCCCC1=CC(=C(C(=C1)O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)CCCCCC(CCCCCC)Cl)O)Cl
+CH$IUPAC: InChI=1S/C37H64Cl2O6/c1-3-5-7-9-10-15-21-30(39)22-16-11-13-19-28-25-32(40)31(24-18-12-17-23-29(38)20-14-8-6-4-2)34(26-28)45-37-36(43)35(42)33(41)27-44-37/h25-26,29-30,33,35-37,40-43H,3-24,27H2,1-2H3/t29?,30?,33-,35+,36-,37+/m1/s1
+CH$LINK: PUBCHEM CID:132582909
+CH$LINK: INCHIKEY IWIZOMWAHIZTOM-ZQWJTRQNSA-N
+CH$LINK: CHEMSPIDER 58197376
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-710
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 17.082 min
+MS$FOCUSED_ION: BASE_PEAK 543.3723
+MS$FOCUSED_ION: PRECURSOR_M/Z 675.4153
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0006-2000091000-df0cb9be73d7cc4deff9
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  57.0335 C3H5O+ 1 57.0335 -0.25
+  60.3752 CH48+ 1 60.3751 1.75
+  73.0284 C3H5O2+ 1 73.0284 0.22
+  115.039 C5H7O3+ 1 115.039 0.41
+  233.081 C13H13O4+ 1 233.0808 0.86
+  273.112 C16H17O4+ 1 273.1121 -0.61
+  317.2468 C21H33O2+ 2 317.2475 -2.34
+  353.2242 C21H34ClO2+ 1 353.2242 -0.09
+  413.2681 C26H37O4+ 2 413.2686 -1.33
+  507.3964 C32H56ClO2+ 2 507.3963 0.1
+  543.373 C32H57Cl2O2+ 1 543.373 0.01
+  603.418 C37H60ClO4+ 2 603.4175 0.95
+  675.4151 C37H65Cl2O6+ 1 675.4153 -0.28
+PK$NUM_PEAK: 13
+PK$PEAK: m/z int. rel.int.
+  57.0335 367758.5 87
+  60.3752 212439.7 50
+  73.0284 1257641.2 299
+  115.039 287902.9 68
+  233.081 95669.8 22
+  273.112 93578.9 22
+  317.2468 164184.8 39
+  353.2242 317279 75
+  413.2681 306343.9 72
+  507.3964 1414186.8 336
+  543.373 4194459 999
+  603.418 148912.2 35
+  675.4151 590669.6 140
+//
diff --git a/Eawag/MSBNK-EAWAG-EC099303.txt b/Eawag/MSBNK-EAWAG-EC099303.txt
new file mode 100644
index 0000000000..e0cb8bf9c4
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC099303.txt
@@ -0,0 +1,77 @@
+ACCESSION: MSBNK-EAWAG-EC099303
+RECORD_TITLE: Bartoloside F; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.6b00351
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 993
+CH$NAME: Bartoloside F
+CH$NAME: (2S,3R,4S,5R)-2-(2-(6-chlorododecyl)-5-(6-chlorotetradecyl)-3-hydroxyphenoxy)tetrahydro-2H-pyran-3,4,5-triol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C37H64Cl2O6
+CH$EXACT_MASS: 674.4079951
+CH$SMILES: CCCCCCCCC(CCCCCC1=CC(=C(C(=C1)O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)CCCCCC(CCCCCC)Cl)O)Cl
+CH$IUPAC: InChI=1S/C37H64Cl2O6/c1-3-5-7-9-10-15-21-30(39)22-16-11-13-19-28-25-32(40)31(24-18-12-17-23-29(38)20-14-8-6-4-2)34(26-28)45-37-36(43)35(42)33(41)27-44-37/h25-26,29-30,33,35-37,40-43H,3-24,27H2,1-2H3/t29?,30?,33-,35+,36-,37+/m1/s1
+CH$LINK: PUBCHEM CID:132582909
+CH$LINK: INCHIKEY IWIZOMWAHIZTOM-ZQWJTRQNSA-N
+CH$LINK: CHEMSPIDER 58197376
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-710
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 17.082 min
+MS$FOCUSED_ION: BASE_PEAK 543.3723
+MS$FOCUSED_ION: PRECURSOR_M/Z 675.4153
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-05fu-9104180000-dee921279e960afc875e
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  57.0335 C3H5O+ 1 57.0335 0.69
+  60.3751 CH48+ 1 60.3751 0.29
+  61.0284 C2H5O2+ 1 61.0284 -0.9
+  69.0334 C4H5O+ 1 69.0335 -1.42
+  73.0284 C3H5O2+ 1 73.0284 0.22
+  85.0284 C4H5O2+ 1 85.0284 -0.34
+  97.0285 C5H5O2+ 1 97.0284 1.37
+  115.0388 C5H7O3+ 1 115.039 -1.31
+  161.0602 C10H9O2+ 1 161.0597 3.33
+  233.0805 C13H13O4+ 1 233.0808 -1.23
+  317.2472 C21H33O2+ 1 317.2475 -1.09
+  341.2473 C23H33O2+ 1 341.2475 -0.68
+  353.224 C21H34ClO2+ 1 353.2242 -0.44
+  399.2537 C25H35O4+ 1 399.253 1.72
+  471.4197 C32H55O2+ 2 471.4197 0.14
+  507.3961 C32H56ClO2+ 2 507.3963 -0.56
+  543.3725 C32H57Cl2O2+ 1 543.373 -1
+PK$NUM_PEAK: 17
+PK$PEAK: m/z int. rel.int.
+  57.0335 651090.8 343
+  60.3751 68281 36
+  61.0284 313192.9 165
+  69.0334 70997.5 37
+  73.0284 1893799.1 999
+  85.0284 86255.3 45
+  97.0285 93315.7 49
+  115.0388 396873.1 209
+  161.0602 88732 46
+  233.0805 260706.6 137
+  317.2472 704077.2 371
+  341.2473 137152.4 72
+  353.224 754856.5 398
+  399.2537 67324.4 35
+  471.4197 543897 286
+  507.3961 1367580.5 721
+  543.3725 1461683.6 771
+//
diff --git a/Eawag/MSBNK-EAWAG-EC099304.txt b/Eawag/MSBNK-EAWAG-EC099304.txt
new file mode 100644
index 0000000000..829f874366
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC099304.txt
@@ -0,0 +1,93 @@
+ACCESSION: MSBNK-EAWAG-EC099304
+RECORD_TITLE: Bartoloside F; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.6b00351
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 993
+CH$NAME: Bartoloside F
+CH$NAME: (2S,3R,4S,5R)-2-(2-(6-chlorododecyl)-5-(6-chlorotetradecyl)-3-hydroxyphenoxy)tetrahydro-2H-pyran-3,4,5-triol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C37H64Cl2O6
+CH$EXACT_MASS: 674.4079951
+CH$SMILES: CCCCCCCCC(CCCCCC1=CC(=C(C(=C1)O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)CCCCCC(CCCCCC)Cl)O)Cl
+CH$IUPAC: InChI=1S/C37H64Cl2O6/c1-3-5-7-9-10-15-21-30(39)22-16-11-13-19-28-25-32(40)31(24-18-12-17-23-29(38)20-14-8-6-4-2)34(26-28)45-37-36(43)35(42)33(41)27-44-37/h25-26,29-30,33,35-37,40-43H,3-24,27H2,1-2H3/t29?,30?,33-,35+,36-,37+/m1/s1
+CH$LINK: PUBCHEM CID:132582909
+CH$LINK: INCHIKEY IWIZOMWAHIZTOM-ZQWJTRQNSA-N
+CH$LINK: CHEMSPIDER 58197376
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-710
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 17.082 min
+MS$FOCUSED_ION: BASE_PEAK 543.3723
+MS$FOCUSED_ION: PRECURSOR_M/Z 675.4153
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00di-9515110000-4a208f5b23331ba56445
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  45.0335 C2H5O+ 1 45.0335 0.12
+  57.0335 C3H5O+ 1 57.0335 -0.12
+  61.0284 C2H5O2+ 1 61.0284 -0.84
+  69.0336 C4H5O+ 1 69.0335 1.9
+  69.0699 C5H9+ 1 69.0699 0.45
+  73.0284 C3H5O2+ 1 73.0284 -0.3
+  83.0856 C6H11+ 1 83.0855 0.95
+  85.0284 C4H5O2+ 1 85.0284 0.2
+  97.0286 C5H5O2+ 1 97.0284 1.6
+  97.1013 C7H13+ 1 97.1012 1.27
+  115.0386 C5H7O3+ 1 115.039 -2.84
+  137.0597 C8H9O2+ 1 137.0597 -0.06
+  161.0592 C10H9O2+ 1 161.0597 -3.02
+  163.0754 C10H11O2+ 1 163.0754 0.5
+  177.0908 C11H13O2+ 1 177.091 -1.15
+  191.1068 C12H15O2+ 1 191.1067 0.76
+  201.091 C13H13O2+ 1 201.091 -0.18
+  233.0798 C13H13O4+ 2 233.0808 -4.57
+  267.0412 C13H12ClO4+ 1 267.0419 -2.34
+  303.2311 C20H31O2+ 2 303.2319 -2.4
+  317.2464 C21H33O2+ 2 317.2475 -3.5
+  341.2467 C23H33O2+ 2 341.2475 -2.38
+  353.2227 C21H34ClO2+ 2 353.2242 -4.24
+  471.4193 C32H55O2+ 2 471.4197 -0.7
+  507.396 C32H56ClO2+ 2 507.3963 -0.68
+PK$NUM_PEAK: 25
+PK$PEAK: m/z int. rel.int.
+  45.0335 113239.3 48
+  57.0335 834708.6 356
+  61.0284 245026.6 104
+  69.0336 100514.5 42
+  69.0699 65829.6 28
+  73.0284 2341561 999
+  83.0856 60525 25
+  85.0284 98452.8 42
+  97.0286 116885.4 49
+  97.1013 70942.2 30
+  115.0386 215751.9 92
+  137.0597 799239.1 340
+  161.0592 239618.1 102
+  163.0754 290176.8 123
+  177.0908 587685 250
+  191.1068 148360.7 63
+  201.091 77317.7 32
+  233.0798 366989.9 156
+  267.0412 102139.3 43
+  303.2311 488852.1 208
+  317.2464 1224957.9 522
+  341.2467 129966.9 55
+  353.2227 414263.1 176
+  471.4193 674224.3 287
+  507.396 552789.8 235
+//
diff --git a/Eawag/MSBNK-EAWAG-EC099305.txt b/Eawag/MSBNK-EAWAG-EC099305.txt
new file mode 100644
index 0000000000..7b07ff216c
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC099305.txt
@@ -0,0 +1,93 @@
+ACCESSION: MSBNK-EAWAG-EC099305
+RECORD_TITLE: Bartoloside F; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.6b00351
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 993
+CH$NAME: Bartoloside F
+CH$NAME: (2S,3R,4S,5R)-2-(2-(6-chlorododecyl)-5-(6-chlorotetradecyl)-3-hydroxyphenoxy)tetrahydro-2H-pyran-3,4,5-triol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C37H64Cl2O6
+CH$EXACT_MASS: 674.4079951
+CH$SMILES: CCCCCCCCC(CCCCCC1=CC(=C(C(=C1)O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)CCCCCC(CCCCCC)Cl)O)Cl
+CH$IUPAC: InChI=1S/C37H64Cl2O6/c1-3-5-7-9-10-15-21-30(39)22-16-11-13-19-28-25-32(40)31(24-18-12-17-23-29(38)20-14-8-6-4-2)34(26-28)45-37-36(43)35(42)33(41)27-44-37/h25-26,29-30,33,35-37,40-43H,3-24,27H2,1-2H3/t29?,30?,33-,35+,36-,37+/m1/s1
+CH$LINK: PUBCHEM CID:132582909
+CH$LINK: INCHIKEY IWIZOMWAHIZTOM-ZQWJTRQNSA-N
+CH$LINK: CHEMSPIDER 58197376
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-710
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 17.082 min
+MS$FOCUSED_ION: BASE_PEAK 543.3723
+MS$FOCUSED_ION: PRECURSOR_M/Z 675.4153
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-022i-9801000000-f44090cd34564131ba16
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  45.0335 C2H5O+ 1 45.0335 0.63
+  55.0543 C4H7+ 1 55.0542 1.02
+  57.0335 C3H5O+ 1 57.0335 -0.32
+  57.0699 C4H9+ 1 57.0699 0.87
+  61.0284 C2H5O2+ 1 61.0284 0.03
+  69.0335 C4H5O+ 1 69.0335 0.68
+  69.0698 C5H9+ 1 69.0699 -0.76
+  73.0284 C3H5O2+ 1 73.0284 0.12
+  83.0857 C6H11+ 1 83.0855 1.96
+  85.0285 C4H5O2+ 1 85.0284 0.65
+  97.0284 C5H5O2+ 1 97.0284 -0.52
+  97.1013 C7H13+ 1 97.1012 1.58
+  115.0393 C5H7O3+ 1 115.039 2.6
+  135.044 C8H7O2+ 1 135.0441 -0.61
+  137.0596 C8H9O2+ 1 137.0597 -0.73
+  151.0753 C9H11O2+ 1 151.0754 -0.16
+  161.0593 C10H9O2+ 1 161.0597 -2.54
+  163.0752 C10H11O2+ 1 163.0754 -1.1
+  175.0753 C11H11O2+ 1 175.0754 -0.45
+  177.0907 C11H13O2+ 1 177.091 -1.49
+  191.1068 C12H15O2+ 1 191.1067 0.52
+  233.0803 C13H13O4+ 1 233.0808 -2.15
+  303.2312 C20H31O2+ 2 303.2319 -2.3
+  317.2464 C21H33O2+ 2 317.2475 -3.4
+  341.2461 C23H33O2+ 2 341.2475 -4.25
+PK$NUM_PEAK: 25
+PK$PEAK: m/z int. rel.int.
+  45.0335 155146.1 59
+  55.0543 159324.5 61
+  57.0335 1184874.6 457
+  57.0699 75606.7 29
+  61.0284 275610.1 106
+  69.0335 182997.4 70
+  69.0698 321700.2 124
+  73.0284 2585349.5 999
+  83.0857 169498 65
+  85.0285 169108 65
+  97.0284 91295.6 35
+  97.1013 157843.8 60
+  115.0393 138493.8 53
+  135.044 47568.1 18
+  137.0596 2182060.2 843
+  151.0753 115921.4 44
+  161.0593 424298.4 163
+  163.0752 832758.6 321
+  175.0753 53928 20
+  177.0907 1027386.1 396
+  191.1068 176387.7 68
+  233.0803 396659.1 153
+  303.2312 163155.1 63
+  317.2464 371300.8 143
+  341.2461 82751.2 31
+//
diff --git a/Eawag/MSBNK-EAWAG-EC099306.txt b/Eawag/MSBNK-EAWAG-EC099306.txt
new file mode 100644
index 0000000000..058e7e21d5
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC099306.txt
@@ -0,0 +1,93 @@
+ACCESSION: MSBNK-EAWAG-EC099306
+RECORD_TITLE: Bartoloside F; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.6b00351
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 993
+CH$NAME: Bartoloside F
+CH$NAME: (2S,3R,4S,5R)-2-(2-(6-chlorododecyl)-5-(6-chlorotetradecyl)-3-hydroxyphenoxy)tetrahydro-2H-pyran-3,4,5-triol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C37H64Cl2O6
+CH$EXACT_MASS: 674.4079951
+CH$SMILES: CCCCCCCCC(CCCCCC1=CC(=C(C(=C1)O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)CCCCCC(CCCCCC)Cl)O)Cl
+CH$IUPAC: InChI=1S/C37H64Cl2O6/c1-3-5-7-9-10-15-21-30(39)22-16-11-13-19-28-25-32(40)31(24-18-12-17-23-29(38)20-14-8-6-4-2)34(26-28)45-37-36(43)35(42)33(41)27-44-37/h25-26,29-30,33,35-37,40-43H,3-24,27H2,1-2H3/t29?,30?,33-,35+,36-,37+/m1/s1
+CH$LINK: PUBCHEM CID:132582909
+CH$LINK: INCHIKEY IWIZOMWAHIZTOM-ZQWJTRQNSA-N
+CH$LINK: CHEMSPIDER 58197376
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-710
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 17.082 min
+MS$FOCUSED_ION: BASE_PEAK 543.3723
+MS$FOCUSED_ION: PRECURSOR_M/Z 675.4153
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-074r-9600000000-12091b50199575ee9d1b
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  45.0334 C2H5O+ 1 45.0335 -1.57
+  55.0178 C3H3O+ 1 55.0178 -0.91
+  55.0542 C4H7+ 1 55.0542 -0.16
+  57.0335 C3H5O+ 1 57.0335 -0.45
+  61.0284 C2H5O2+ 1 61.0284 0.53
+  67.0541 C5H7+ 1 67.0542 -2.01
+  69.0336 C4H5O+ 1 69.0335 1.9
+  69.0699 C5H9+ 1 69.0699 0.01
+  73.0284 C3H5O2+ 1 73.0284 -0.2
+  81.0701 C6H9+ 1 81.0699 3.18
+  83.0855 C6H11+ 1 83.0855 0.12
+  85.0282 C4H5O2+ 1 85.0284 -1.86
+  97.0284 C5H5O2+ 1 97.0284 0.19
+  97.1013 C7H13+ 1 97.1012 1.58
+  123.044 C7H7O2+ 1 123.0441 -0.3
+  135.0443 C8H7O2+ 1 135.0441 2.1
+  137.0596 C8H9O2+ 1 137.0597 -0.84
+  161.0598 C10H9O2+ 1 161.0597 0.49
+  163.0751 C10H11O2+ 1 163.0754 -1.84
+  171.0207 C8H8ClO2+ 1 171.0207 -0.12
+  175.0752 C11H11O2+ 1 175.0754 -0.97
+  177.0907 C11H13O2+ 1 177.091 -1.83
+  191.1063 C12H15O2+ 1 191.1067 -1.72
+  195.0212 C10H8ClO2+ 1 195.0207 2.2
+  233.0797 C13H13O4+ 2 233.0808 -4.83
+PK$NUM_PEAK: 25
+PK$PEAK: m/z int. rel.int.
+  45.0334 209723 91
+  55.0178 45625.6 19
+  55.0542 533914.4 233
+  57.0335 1356820.2 592
+  61.0284 343475.4 149
+  67.0541 72127.2 31
+  69.0336 219799.8 95
+  69.0699 550194.7 240
+  73.0284 2287819.5 999
+  81.0701 66515.9 29
+  83.0855 238955.5 104
+  85.0282 199725.6 87
+  97.0284 114898 50
+  97.1013 151629.2 66
+  123.044 276492.8 120
+  135.0443 134423.7 58
+  137.0596 1910113.9 834
+  161.0598 425558.9 185
+  163.0751 571295.1 249
+  171.0207 165970.5 72
+  175.0752 95830.6 41
+  177.0907 631058.9 275
+  191.1063 114405.8 49
+  195.0212 131836 57
+  233.0797 246186 107
+//
diff --git a/Eawag/MSBNK-EAWAG-EC099307.txt b/Eawag/MSBNK-EAWAG-EC099307.txt
new file mode 100644
index 0000000000..0cf67d9764
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC099307.txt
@@ -0,0 +1,97 @@
+ACCESSION: MSBNK-EAWAG-EC099307
+RECORD_TITLE: Bartoloside F; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.6b00351
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 993
+CH$NAME: Bartoloside F
+CH$NAME: (2S,3R,4S,5R)-2-(2-(6-chlorododecyl)-5-(6-chlorotetradecyl)-3-hydroxyphenoxy)tetrahydro-2H-pyran-3,4,5-triol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C37H64Cl2O6
+CH$EXACT_MASS: 674.4079951
+CH$SMILES: CCCCCCCCC(CCCCCC1=CC(=C(C(=C1)O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)CCCCCC(CCCCCC)Cl)O)Cl
+CH$IUPAC: InChI=1S/C37H64Cl2O6/c1-3-5-7-9-10-15-21-30(39)22-16-11-13-19-28-25-32(40)31(24-18-12-17-23-29(38)20-14-8-6-4-2)34(26-28)45-37-36(43)35(42)33(41)27-44-37/h25-26,29-30,33,35-37,40-43H,3-24,27H2,1-2H3/t29?,30?,33-,35+,36-,37+/m1/s1
+CH$LINK: PUBCHEM CID:132582909
+CH$LINK: INCHIKEY IWIZOMWAHIZTOM-ZQWJTRQNSA-N
+CH$LINK: CHEMSPIDER 58197376
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-710
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 17.082 min
+MS$FOCUSED_ION: BASE_PEAK 543.3723
+MS$FOCUSED_ION: PRECURSOR_M/Z 675.4153
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-05g0-9500000000-0b76172eac4ed0cb0d5f
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  45.0335 C2H5O+ 1 45.0335 0.04
+  55.0179 C3H3O+ 1 55.0178 0.96
+  55.0542 C4H7+ 1 55.0542 -0.99
+  57.0335 C3H5O+ 1 57.0335 -0.18
+  57.07 C4H9+ 1 57.0699 1.67
+  61.0284 C2H5O2+ 1 61.0284 0.53
+  67.0544 C5H7+ 1 67.0542 2.31
+  69.0336 C4H5O+ 1 69.0335 1.46
+  69.0699 C5H9+ 1 69.0699 0.56
+  71.0128 C3H3O2+ 1 71.0128 0.95
+  73.0284 C3H5O2+ 1 73.0284 -0.3
+  81.0699 C6H9+ 1 81.0699 0.45
+  83.0855 C6H11+ 1 83.0855 -0.06
+  85.0286 C4H5O2+ 1 85.0284 2.18
+  95.0855 C7H11+ 1 95.0855 0.2
+  123.0437 C7H7O2+ 1 123.0441 -2.9
+  135.0441 C8H7O2+ 1 135.0441 0.63
+  137.0596 C8H9O2+ 1 137.0597 -0.51
+  147.0441 C9H7O2+ 1 147.0441 -0.02
+  161.0596 C10H9O2+ 1 161.0597 -0.93
+  163.0751 C10H11O2+ 1 163.0754 -1.47
+  171.0208 C8H8ClO2+ 1 171.0207 0.24
+  174.0675 C11H10O2+ 1 174.0675 -0.18
+  175.0754 C11H11O2+ 1 175.0754 0.34
+  177.0907 C11H13O2+ 1 177.091 -1.49
+  191.1065 C12H15O2+ 1 191.1067 -0.76
+  233.0806 C13H13O4+ 1 233.0808 -1.1
+PK$NUM_PEAK: 27
+PK$PEAK: m/z int. rel.int.
+  45.0335 392044.1 175
+  55.0179 67321.6 30
+  55.0542 681810.2 304
+  57.0335 1536209 687
+  57.07 125099.9 55
+  61.0284 275603.9 123
+  67.0544 117664.6 52
+  69.0336 211951.8 94
+  69.0699 615444.9 275
+  71.0128 77935 34
+  73.0284 2233504.5 999
+  81.0699 90510.9 40
+  83.0855 209844 93
+  85.0286 148825.5 66
+  95.0855 108973.5 48
+  123.0437 282746.9 126
+  135.0441 146674.4 65
+  137.0596 1867967.4 835
+  147.0441 72551.7 32
+  161.0596 327922.5 146
+  163.0751 388032.4 173
+  171.0208 165008.8 73
+  174.0675 45813 20
+  175.0754 156499.8 69
+  177.0907 394366.3 176
+  191.1065 71418.8 31
+  233.0806 82867.2 37
+//
diff --git a/Eawag/MSBNK-EAWAG-EC099308.txt b/Eawag/MSBNK-EAWAG-EC099308.txt
new file mode 100644
index 0000000000..5cd549f87a
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC099308.txt
@@ -0,0 +1,83 @@
+ACCESSION: MSBNK-EAWAG-EC099308
+RECORD_TITLE: Bartoloside F; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.6b00351
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 993
+CH$NAME: Bartoloside F
+CH$NAME: (2S,3R,4S,5R)-2-(2-(6-chlorododecyl)-5-(6-chlorotetradecyl)-3-hydroxyphenoxy)tetrahydro-2H-pyran-3,4,5-triol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C37H64Cl2O6
+CH$EXACT_MASS: 674.4079951
+CH$SMILES: CCCCCCCCC(CCCCCC1=CC(=C(C(=C1)O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)CCCCCC(CCCCCC)Cl)O)Cl
+CH$IUPAC: InChI=1S/C37H64Cl2O6/c1-3-5-7-9-10-15-21-30(39)22-16-11-13-19-28-25-32(40)31(24-18-12-17-23-29(38)20-14-8-6-4-2)34(26-28)45-37-36(43)35(42)33(41)27-44-37/h25-26,29-30,33,35-37,40-43H,3-24,27H2,1-2H3/t29?,30?,33-,35+,36-,37+/m1/s1
+CH$LINK: PUBCHEM CID:132582909
+CH$LINK: INCHIKEY IWIZOMWAHIZTOM-ZQWJTRQNSA-N
+CH$LINK: CHEMSPIDER 58197376
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-710
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 17.082 min
+MS$FOCUSED_ION: BASE_PEAK 543.3723
+MS$FOCUSED_ION: PRECURSOR_M/Z 675.4153
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0abi-9300000000-257fa96153f10bdf021c
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  45.0335 C2H5O+ 1 45.0335 -0.05
+  55.0542 C4H7+ 1 55.0542 -0.44
+  57.0335 C3H5O+ 1 57.0335 -0.38
+  57.0699 C4H9+ 1 57.0699 0.67
+  61.0283 C2H5O2+ 1 61.0284 -1.28
+  67.0543 C5H7+ 1 67.0542 0.94
+  69.0336 C4H5O+ 1 69.0335 1.9
+  69.0699 C5H9+ 1 69.0699 0.23
+  71.0128 C3H3O2+ 1 71.0128 0.63
+  73.0284 C3H5O2+ 1 73.0284 -0.09
+  81.0699 C6H9+ 1 81.0699 -0.12
+  83.0856 C6H11+ 1 83.0855 1.32
+  85.0286 C4H5O2+ 1 85.0284 2
+  123.0439 C7H7O2+ 1 123.0441 -1.23
+  135.044 C8H7O2+ 1 135.0441 -0.61
+  137.0596 C8H9O2+ 1 137.0597 -0.84
+  161.0596 C10H9O2+ 1 161.0597 -0.36
+  163.0751 C10H11O2+ 1 163.0754 -1.38
+  175.0754 C11H11O2+ 1 175.0754 0.43
+  187.0751 C12H11O2+ 1 187.0754 -1.37
+PK$NUM_PEAK: 20
+PK$PEAK: m/z int. rel.int.
+  45.0335 470768.4 320
+  55.0542 785483.2 534
+  57.0335 1285474.1 874
+  57.0699 66379.3 45
+  61.0283 256366.2 174
+  67.0543 105210.8 71
+  69.0336 154115.8 104
+  69.0699 477689.2 325
+  71.0128 75897.8 51
+  73.0284 1468162.5 999
+  81.0699 99350.8 67
+  83.0856 84949.8 57
+  85.0286 131680.5 89
+  123.0439 203653.2 138
+  135.044 127429.2 86
+  137.0596 1140929.6 776
+  161.0596 247623.8 168
+  163.0751 196286.8 133
+  175.0754 119037 80
+  187.0751 85931.6 58
+//
diff --git a/Eawag/MSBNK-EAWAG-EC099309.txt b/Eawag/MSBNK-EAWAG-EC099309.txt
new file mode 100644
index 0000000000..1609325bcf
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC099309.txt
@@ -0,0 +1,91 @@
+ACCESSION: MSBNK-EAWAG-EC099309
+RECORD_TITLE: Bartoloside F; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.6b00351
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 993
+CH$NAME: Bartoloside F
+CH$NAME: (2S,3R,4S,5R)-2-(2-(6-chlorododecyl)-5-(6-chlorotetradecyl)-3-hydroxyphenoxy)tetrahydro-2H-pyran-3,4,5-triol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C37H64Cl2O6
+CH$EXACT_MASS: 674.4079951
+CH$SMILES: CCCCCCCCC(CCCCCC1=CC(=C(C(=C1)O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)CCCCCC(CCCCCC)Cl)O)Cl
+CH$IUPAC: InChI=1S/C37H64Cl2O6/c1-3-5-7-9-10-15-21-30(39)22-16-11-13-19-28-25-32(40)31(24-18-12-17-23-29(38)20-14-8-6-4-2)34(26-28)45-37-36(43)35(42)33(41)27-44-37/h25-26,29-30,33,35-37,40-43H,3-24,27H2,1-2H3/t29?,30?,33-,35+,36-,37+/m1/s1
+CH$LINK: PUBCHEM CID:132582909
+CH$LINK: INCHIKEY IWIZOMWAHIZTOM-ZQWJTRQNSA-N
+CH$LINK: CHEMSPIDER 58197376
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-710
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 17.082 min
+MS$FOCUSED_ION: BASE_PEAK 543.3723
+MS$FOCUSED_ION: PRECURSOR_M/Z 675.4153
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0ab9-9200000000-4a986aca30428ab52fcb
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  45.0335 C2H5O+ 1 45.0335 -0.05
+  55.0178 C3H3O+ 1 55.0178 -1.46
+  55.0542 C4H7+ 1 55.0542 -0.72
+  57.0335 C3H5O+ 1 57.0335 -0.72
+  57.07 C4H9+ 1 57.0699 1.74
+  61.0283 C2H5O2+ 1 61.0284 -1.15
+  67.0542 C5H7+ 1 67.0542 -0.19
+  69.0336 C4H5O+ 1 69.0335 1.46
+  69.0698 C5H9+ 1 69.0699 -1.21
+  71.0128 C3H3O2+ 1 71.0128 0.09
+  73.0284 C3H5O2+ 1 73.0284 -0.72
+  79.0542 C6H7+ 1 79.0542 -0.08
+  81.07 C6H9+ 1 81.0699 0.92
+  83.0128 C4H3O2+ 1 83.0128 0.78
+  83.0852 C6H11+ 1 83.0855 -3.73
+  105.07 C8H9+ 1 105.0699 0.81
+  109.0649 C7H9O+ 1 109.0648 0.68
+  121.0649 C8H9O+ 1 121.0648 1.18
+  135.0444 C8H7O2+ 1 135.0441 2.22
+  135.0802 C9H11O+ 1 135.0804 -1.46
+  137.0595 C8H9O2+ 1 137.0597 -1.73
+  151.0758 C9H11O2+ 1 151.0754 2.66
+  174.0677 C11H10O2+ 1 174.0675 1.14
+  175.0751 C11H11O2+ 1 175.0754 -1.23
+PK$NUM_PEAK: 24
+PK$PEAK: m/z int. rel.int.
+  45.0335 170254.2 127
+  55.0178 85369.6 63
+  55.0542 869068.3 649
+  57.0335 1337484.4 999
+  57.07 88888.2 66
+  61.0283 199039.3 148
+  67.0542 165306.5 123
+  69.0336 156584.2 116
+  69.0698 340264 254
+  71.0128 65438.6 48
+  73.0284 1133941.1 846
+  79.0542 119805.5 89
+  81.07 124005.2 92
+  83.0128 62257.5 46
+  83.0852 56043.2 41
+  105.07 57810.9 43
+  109.0649 100251.7 74
+  121.0649 82278.7 61
+  135.0444 91355.5 68
+  135.0802 55830.4 41
+  137.0595 831129.6 620
+  151.0758 81107.4 60
+  174.0677 111276.5 83
+  175.0751 109034.3 81
+//
diff --git a/Eawag/MSBNK-EAWAG-EC099351.txt b/Eawag/MSBNK-EAWAG-EC099351.txt
new file mode 100644
index 0000000000..a85ad42d8b
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC099351.txt
@@ -0,0 +1,55 @@
+ACCESSION: MSBNK-EAWAG-EC099351
+RECORD_TITLE: Bartoloside F; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.6b00351
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 993
+CH$NAME: Bartoloside F
+CH$NAME: (2S,3R,4S,5R)-2-(2-(6-chlorododecyl)-5-(6-chlorotetradecyl)-3-hydroxyphenoxy)tetrahydro-2H-pyran-3,4,5-triol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C37H64Cl2O6
+CH$EXACT_MASS: 674.4079951
+CH$SMILES: CCCCCCCCC(CCCCCC1=CC(=C(C(=C1)O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)CCCCCC(CCCCCC)Cl)O)Cl
+CH$IUPAC: InChI=1S/C37H64Cl2O6/c1-3-5-7-9-10-15-21-30(39)22-16-11-13-19-28-25-32(40)31(24-18-12-17-23-29(38)20-14-8-6-4-2)34(26-28)45-37-36(43)35(42)33(41)27-44-37/h25-26,29-30,33,35-37,40-43H,3-24,27H2,1-2H3/t29?,30?,33-,35+,36-,37+/m1/s1
+CH$LINK: PUBCHEM CID:132582909
+CH$LINK: INCHIKEY IWIZOMWAHIZTOM-ZQWJTRQNSA-N
+CH$LINK: CHEMSPIDER 58197376
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-708
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 17.069 min
+MS$FOCUSED_ION: BASE_PEAK 719.4063
+MS$FOCUSED_ION: PRECURSOR_M/Z 673.4007
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00dl-0000049000-6d8a57dfd4a67a57ef59
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  60.1518 C2H20O- 1 60.152 -2.77
+  495.3804 C27H56ClO5- 1 495.3822 -3.62
+  505.3809 C32H54ClO2- 2 505.3818 -1.84
+  541.3576 C32H55Cl2O2- 1 541.3585 -1.54
+  637.4231 C37H62ClO6- 1 637.424 -1.45
+  673.3998 C37H63Cl2O6- 1 673.4007 -1.39
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  60.1518 28030.7 23
+  495.3804 21160.8 17
+  505.3809 77050.7 65
+  541.3576 629207.8 533
+  637.4231 183271 155
+  673.3998 1178008.5 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC099352.txt b/Eawag/MSBNK-EAWAG-EC099352.txt
new file mode 100644
index 0000000000..8879d7df09
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC099352.txt
@@ -0,0 +1,49 @@
+ACCESSION: MSBNK-EAWAG-EC099352
+RECORD_TITLE: Bartoloside F; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.6b00351
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 993
+CH$NAME: Bartoloside F
+CH$NAME: (2S,3R,4S,5R)-2-(2-(6-chlorododecyl)-5-(6-chlorotetradecyl)-3-hydroxyphenoxy)tetrahydro-2H-pyran-3,4,5-triol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C37H64Cl2O6
+CH$EXACT_MASS: 674.4079951
+CH$SMILES: CCCCCCCCC(CCCCCC1=CC(=C(C(=C1)O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)CCCCCC(CCCCCC)Cl)O)Cl
+CH$IUPAC: InChI=1S/C37H64Cl2O6/c1-3-5-7-9-10-15-21-30(39)22-16-11-13-19-28-25-32(40)31(24-18-12-17-23-29(38)20-14-8-6-4-2)34(26-28)45-37-36(43)35(42)33(41)27-44-37/h25-26,29-30,33,35-37,40-43H,3-24,27H2,1-2H3/t29?,30?,33-,35+,36-,37+/m1/s1
+CH$LINK: PUBCHEM CID:132582909
+CH$LINK: INCHIKEY IWIZOMWAHIZTOM-ZQWJTRQNSA-N
+CH$LINK: CHEMSPIDER 58197376
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-708
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 17.069 min
+MS$FOCUSED_ION: BASE_PEAK 719.4063
+MS$FOCUSED_ION: PRECURSOR_M/Z 673.4007
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0006-0000090000-63ad764c4f7fcfe18968
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  60.1517 C2H20O- 1 60.152 -4.87
+  505.3811 C32H54ClO2- 2 505.3818 -1.42
+  541.3581 C32H55Cl2O2- 1 541.3585 -0.75
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  60.1517 28056.2 46
+  505.3811 222964.8 368
+  541.3581 603684.2 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC099353.txt b/Eawag/MSBNK-EAWAG-EC099353.txt
new file mode 100644
index 0000000000..a742f4e6df
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC099353.txt
@@ -0,0 +1,51 @@
+ACCESSION: MSBNK-EAWAG-EC099353
+RECORD_TITLE: Bartoloside F; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.6b00351
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 993
+CH$NAME: Bartoloside F
+CH$NAME: (2S,3R,4S,5R)-2-(2-(6-chlorododecyl)-5-(6-chlorotetradecyl)-3-hydroxyphenoxy)tetrahydro-2H-pyran-3,4,5-triol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C37H64Cl2O6
+CH$EXACT_MASS: 674.4079951
+CH$SMILES: CCCCCCCCC(CCCCCC1=CC(=C(C(=C1)O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)CCCCCC(CCCCCC)Cl)O)Cl
+CH$IUPAC: InChI=1S/C37H64Cl2O6/c1-3-5-7-9-10-15-21-30(39)22-16-11-13-19-28-25-32(40)31(24-18-12-17-23-29(38)20-14-8-6-4-2)34(26-28)45-37-36(43)35(42)33(41)27-44-37/h25-26,29-30,33,35-37,40-43H,3-24,27H2,1-2H3/t29?,30?,33-,35+,36-,37+/m1/s1
+CH$LINK: PUBCHEM CID:132582909
+CH$LINK: INCHIKEY IWIZOMWAHIZTOM-ZQWJTRQNSA-N
+CH$LINK: CHEMSPIDER 58197376
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-708
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 17.069 min
+MS$FOCUSED_ION: BASE_PEAK 719.4063
+MS$FOCUSED_ION: PRECURSOR_M/Z 673.4007
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-052f-0000290000-6a408c0cc8caad361f6f
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  469.4042 C26H58ClO4- 2 469.4029 2.8
+  495.3805 C27H56ClO5- 1 495.3822 -3.37
+  505.3812 C32H54ClO2- 2 505.3818 -1.06
+  541.3582 C32H55Cl2O2- 1 541.3585 -0.41
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  469.4042 164158.5 457
+  495.3805 54378.2 151
+  505.3812 356383.4 992
+  541.3582 358763.8 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC099354.txt b/Eawag/MSBNK-EAWAG-EC099354.txt
new file mode 100644
index 0000000000..f14cab81e1
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC099354.txt
@@ -0,0 +1,49 @@
+ACCESSION: MSBNK-EAWAG-EC099354
+RECORD_TITLE: Bartoloside F; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.6b00351
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 993
+CH$NAME: Bartoloside F
+CH$NAME: (2S,3R,4S,5R)-2-(2-(6-chlorododecyl)-5-(6-chlorotetradecyl)-3-hydroxyphenoxy)tetrahydro-2H-pyran-3,4,5-triol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C37H64Cl2O6
+CH$EXACT_MASS: 674.4079951
+CH$SMILES: CCCCCCCCC(CCCCCC1=CC(=C(C(=C1)O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)CCCCCC(CCCCCC)Cl)O)Cl
+CH$IUPAC: InChI=1S/C37H64Cl2O6/c1-3-5-7-9-10-15-21-30(39)22-16-11-13-19-28-25-32(40)31(24-18-12-17-23-29(38)20-14-8-6-4-2)34(26-28)45-37-36(43)35(42)33(41)27-44-37/h25-26,29-30,33,35-37,40-43H,3-24,27H2,1-2H3/t29?,30?,33-,35+,36-,37+/m1/s1
+CH$LINK: PUBCHEM CID:132582909
+CH$LINK: INCHIKEY IWIZOMWAHIZTOM-ZQWJTRQNSA-N
+CH$LINK: CHEMSPIDER 58197376
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-708
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 17.069 min
+MS$FOCUSED_ION: BASE_PEAK 719.4063
+MS$FOCUSED_ION: PRECURSOR_M/Z 673.4007
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-066r-0000980000-b62449e5ca006d1798dc
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  469.4043 C26H58ClO4- 2 469.4029 2.99
+  505.3813 C32H54ClO2- 2 505.3818 -0.94
+  541.3588 C32H55Cl2O2- 1 541.3585 0.6
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  469.4043 345873.3 999
+  505.3813 256718.2 741
+  541.3588 87575.4 252
+//
diff --git a/Eawag/MSBNK-EAWAG-EC102701.txt b/Eawag/MSBNK-EAWAG-EC102701.txt
new file mode 100644
index 0000000000..8f4ae490dd
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC102701.txt
@@ -0,0 +1,65 @@
+ACCESSION: MSBNK-EAWAG-EC102701
+RECORD_TITLE: Bartoloside G; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.6b00351
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1027
+CH$NAME: Bartoloside G
+CH$NAME: (2S,3R,4S,5R)-2-(2-(6-chlorododecyl)-3-hydroxy-5-tridecylphenoxy)tetrahydro-2H-pyran-3,4,5-triol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C36H63ClO6
+CH$EXACT_MASS: 626.4313174
+CH$SMILES: CCCCCCCCCCCCCC1=CC(=C(C(=C1)O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)CCCCCC(CCCCCC)Cl)O
+CH$IUPAC: InChI=1S/C36H63ClO6/c1-3-5-7-9-10-11-12-13-14-15-17-21-28-25-31(38)30(24-20-16-19-23-29(37)22-18-8-6-4-2)33(26-28)43-36-35(41)34(40)32(39)27-42-36/h25-26,29,32,34-36,38-41H,3-24,27H2,1-2H3/t29?,32-,34+,35-,36+/m1/s1
+CH$LINK: PUBCHEM CID:132582910
+CH$LINK: INCHIKEY LZMVCENJBDTSPS-VFHZWBAFSA-N
+CH$LINK: CHEMSPIDER 58197377
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-661
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 17.211 min
+MS$FOCUSED_ION: BASE_PEAK 627.4378
+MS$FOCUSED_ION: PRECURSOR_M/Z 627.4386
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0002-0000923000-182ccac1f34de7d8f71e
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  73.0283 C3H5O2+ 1 73.0284 -1.35
+  115.0387 C5H7O3+ 1 115.039 -2.57
+  133.0496 C5H9O4+ 1 133.0495 0.13
+  305.2471 C20H33O2+ 1 305.2475 -1.17
+  329.248 C22H33O2+ 1 329.2475 1.58
+  401.2681 C25H37O4+ 2 401.2686 -1.23
+  495.3959 C31H56ClO2+ 1 495.3963 -0.85
+  519.3949 C33H56ClO2+ 1 519.3963 -2.82
+  555.4407 C36H59O4+ 2 555.4408 -0.23
+  591.416 C36H60ClO4+ 1 591.4175 -2.55
+  627.4381 C36H64ClO6+ 1 627.4386 -0.82
+PK$NUM_PEAK: 11
+PK$PEAK: m/z int. rel.int.
+  73.0283 1019875.1 104
+  115.0387 349996.2 35
+  133.0496 116878.5 11
+  305.2471 193405.6 19
+  329.248 149121 15
+  401.2681 932555.7 95
+  495.3959 9775743 999
+  519.3949 838238.8 85
+  555.4407 590992.4 60
+  591.416 1494285.4 152
+  627.4381 4125186.5 421
+//
diff --git a/Eawag/MSBNK-EAWAG-EC102702.txt b/Eawag/MSBNK-EAWAG-EC102702.txt
new file mode 100644
index 0000000000..7ca9fa4a55
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC102702.txt
@@ -0,0 +1,71 @@
+ACCESSION: MSBNK-EAWAG-EC102702
+RECORD_TITLE: Bartoloside G; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.6b00351
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1027
+CH$NAME: Bartoloside G
+CH$NAME: (2S,3R,4S,5R)-2-(2-(6-chlorododecyl)-3-hydroxy-5-tridecylphenoxy)tetrahydro-2H-pyran-3,4,5-triol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C36H63ClO6
+CH$EXACT_MASS: 626.4313174
+CH$SMILES: CCCCCCCCCCCCCC1=CC(=C(C(=C1)O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)CCCCCC(CCCCCC)Cl)O
+CH$IUPAC: InChI=1S/C36H63ClO6/c1-3-5-7-9-10-11-12-13-14-15-17-21-28-25-31(38)30(24-20-16-19-23-29(37)22-18-8-6-4-2)33(26-28)43-36-35(41)34(40)32(39)27-42-36/h25-26,29,32,34-36,38-41H,3-24,27H2,1-2H3/t29?,32-,34+,35-,36+/m1/s1
+CH$LINK: PUBCHEM CID:132582910
+CH$LINK: INCHIKEY LZMVCENJBDTSPS-VFHZWBAFSA-N
+CH$LINK: CHEMSPIDER 58197377
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-661
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 17.211 min
+MS$FOCUSED_ION: BASE_PEAK 627.4378
+MS$FOCUSED_ION: PRECURSOR_M/Z 627.4386
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0002-3002901000-c3a9be36f8ef0f51b6e3
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  57.0335 C3H5O+ 1 57.0335 0.22
+  61.0285 C2H5O2+ 1 61.0284 1.53
+  73.0284 C3H5O2+ 1 73.0284 0.22
+  97.0284 C5H5O2+ 1 97.0284 -0.44
+  115.0389 C5H7O3+ 1 115.039 -0.85
+  305.2467 C20H33O2+ 2 305.2475 -2.67
+  327.2316 C22H31O2+ 1 327.2319 -0.83
+  329.2467 C22H33O2+ 2 329.2475 -2.5
+  401.2682 C25H37O4+ 2 401.2686 -1.07
+  459.4208 C31H55O2+ 1 459.4197 2.51
+  483.4211 C33H55O2+ 1 483.4197 2.94
+  495.3965 C31H56ClO2+ 1 495.3963 0.32
+  573.4083 C36H58ClO3+ 1 573.4069 2.48
+  627.4388 C36H64ClO6+ 1 627.4386 0.35
+PK$NUM_PEAK: 14
+PK$PEAK: m/z int. rel.int.
+  57.0335 531363.6 84
+  61.0285 343400.9 54
+  73.0284 2057618 327
+  97.0284 137481.7 21
+  115.0389 463446.3 73
+  305.2467 1410251.4 224
+  327.2316 189997.4 30
+  329.2467 378573.2 60
+  401.2682 1330316.2 211
+  459.4208 971217.8 154
+  483.4211 184890.2 29
+  495.3965 6274399.5 999
+  573.4083 174527.8 27
+  627.4388 1402237.9 223
+//
diff --git a/Eawag/MSBNK-EAWAG-EC102703.txt b/Eawag/MSBNK-EAWAG-EC102703.txt
new file mode 100644
index 0000000000..06f374f172
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC102703.txt
@@ -0,0 +1,79 @@
+ACCESSION: MSBNK-EAWAG-EC102703
+RECORD_TITLE: Bartoloside G; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.6b00351
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1027
+CH$NAME: Bartoloside G
+CH$NAME: (2S,3R,4S,5R)-2-(2-(6-chlorododecyl)-3-hydroxy-5-tridecylphenoxy)tetrahydro-2H-pyran-3,4,5-triol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C36H63ClO6
+CH$EXACT_MASS: 626.4313174
+CH$SMILES: CCCCCCCCCCCCCC1=CC(=C(C(=C1)O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)CCCCCC(CCCCCC)Cl)O
+CH$IUPAC: InChI=1S/C36H63ClO6/c1-3-5-7-9-10-11-12-13-14-15-17-21-28-25-31(38)30(24-20-16-19-23-29(37)22-18-8-6-4-2)33(26-28)43-36-35(41)34(40)32(39)27-42-36/h25-26,29,32,34-36,38-41H,3-24,27H2,1-2H3/t29?,32-,34+,35-,36+/m1/s1
+CH$LINK: PUBCHEM CID:132582910
+CH$LINK: INCHIKEY LZMVCENJBDTSPS-VFHZWBAFSA-N
+CH$LINK: CHEMSPIDER 58197377
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-661
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 17.211 min
+MS$FOCUSED_ION: BASE_PEAK 627.4378
+MS$FOCUSED_ION: PRECURSOR_M/Z 627.4386
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0ab9-8218900000-f54d0c1ca35f119ffe0a
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  45.0336 C2H5O+ 1 45.0335 1.65
+  57.0335 C3H5O+ 1 57.0335 -0.18
+  61.0284 C2H5O2+ 1 61.0284 -0.4
+  69.0337 C4H5O+ 1 69.0335 2.89
+  73.0284 C3H5O2+ 1 73.0284 -0.09
+  85.0286 C4H5O2+ 1 85.0284 1.82
+  97.0286 C5H5O2+ 1 97.0284 1.92
+  115.039 C5H7O3+ 1 115.039 0.28
+  133.0496 C5H9O4+ 1 133.0495 0.58
+  137.0596 C8H9O2+ 1 137.0597 -0.73
+  161.0595 C10H9O2+ 1 161.0597 -1.22
+  233.0803 C13H13O4+ 1 233.0808 -2.41
+  305.2468 C20H33O2+ 2 305.2475 -2.47
+  327.2316 C22H31O2+ 1 327.2319 -0.64
+  329.2463 C22H33O2+ 2 329.2475 -3.7
+  401.2676 C25H37O4+ 2 401.2686 -2.67
+  459.4192 C31H55O2+ 2 459.4197 -1.08
+  495.396 C31H56ClO2+ 1 495.3963 -0.6
+PK$NUM_PEAK: 18
+PK$PEAK: m/z int. rel.int.
+  45.0336 98979.3 23
+  57.0335 1150563 272
+  61.0284 408740.5 96
+  69.0337 81262.6 19
+  73.0284 3525525.2 835
+  85.0286 117037.9 27
+  97.0286 190219.7 45
+  115.039 641694.4 151
+  133.0496 119779.6 28
+  137.0596 756611.1 179
+  161.0595 346878.1 82
+  233.0803 648551.6 153
+  305.2468 4217728.5 999
+  327.2316 403453.7 95
+  329.2463 769582.4 182
+  401.2676 797956.6 189
+  459.4192 1602834.9 379
+  495.396 3228444.5 764
+//
diff --git a/Eawag/MSBNK-EAWAG-EC102704.txt b/Eawag/MSBNK-EAWAG-EC102704.txt
new file mode 100644
index 0000000000..b92c0e5d0f
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC102704.txt
@@ -0,0 +1,81 @@
+ACCESSION: MSBNK-EAWAG-EC102704
+RECORD_TITLE: Bartoloside G; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.6b00351
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1027
+CH$NAME: Bartoloside G
+CH$NAME: (2S,3R,4S,5R)-2-(2-(6-chlorododecyl)-3-hydroxy-5-tridecylphenoxy)tetrahydro-2H-pyran-3,4,5-triol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C36H63ClO6
+CH$EXACT_MASS: 626.4313174
+CH$SMILES: CCCCCCCCCCCCCC1=CC(=C(C(=C1)O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)CCCCCC(CCCCCC)Cl)O
+CH$IUPAC: InChI=1S/C36H63ClO6/c1-3-5-7-9-10-11-12-13-14-15-17-21-28-25-31(38)30(24-20-16-19-23-29(37)22-18-8-6-4-2)33(26-28)43-36-35(41)34(40)32(39)27-42-36/h25-26,29,32,34-36,38-41H,3-24,27H2,1-2H3/t29?,32-,34+,35-,36+/m1/s1
+CH$LINK: PUBCHEM CID:132582910
+CH$LINK: INCHIKEY LZMVCENJBDTSPS-VFHZWBAFSA-N
+CH$LINK: CHEMSPIDER 58197377
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-661
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 17.211 min
+MS$FOCUSED_ION: BASE_PEAK 627.4378
+MS$FOCUSED_ION: PRECURSOR_M/Z 627.4386
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0a4i-9518200000-21fcedc8faf4ad30b43c
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  45.0335 C2H5O+ 1 45.0335 -0.13
+  57.0335 C3H5O+ 1 57.0335 -0.45
+  61.0284 C2H5O2+ 1 61.0284 -0.09
+  69.0336 C4H5O+ 1 69.0335 1.68
+  69.07 C5H9+ 1 69.0699 1.67
+  73.0284 C3H5O2+ 1 73.0284 -0.3
+  85.0288 C4H5O2+ 1 85.0284 4.06
+  97.0284 C5H5O2+ 1 97.0284 -0.21
+  97.1012 C7H13+ 1 97.1012 0.4
+  115.0388 C5H7O3+ 1 115.039 -1.77
+  137.0596 C8H9O2+ 1 137.0597 -0.73
+  161.0594 C10H9O2+ 1 161.0597 -1.88
+  233.0804 C13H13O4+ 1 233.0808 -1.76
+  305.2467 C20H33O2+ 2 305.2475 -2.67
+  327.2315 C22H31O2+ 1 327.2319 -1.02
+  329.2464 C22H33O2+ 2 329.2475 -3.43
+  401.2689 C25H37O4+ 1 401.2686 0.75
+  459.4191 C31H55O2+ 2 459.4197 -1.28
+  495.3971 C31H56ClO2+ 1 495.3963 1.49
+PK$NUM_PEAK: 19
+PK$PEAK: m/z int. rel.int.
+  45.0335 132148.8 26
+  57.0335 1483951.8 299
+  61.0284 495958.5 100
+  69.0336 123497.5 24
+  69.07 122223.8 24
+  73.0284 3695932 746
+  85.0288 162434.7 32
+  97.0284 237292.2 47
+  97.1012 81380.6 16
+  115.0388 434174 87
+  137.0596 2918801.8 589
+  161.0594 832953.4 168
+  233.0804 841195.1 169
+  305.2467 4946187.5 999
+  327.2315 253160.3 51
+  329.2464 611328.1 123
+  401.2689 308141.8 62
+  459.4191 975188.6 196
+  495.3971 767235.6 154
+//
diff --git a/Eawag/MSBNK-EAWAG-EC102705.txt b/Eawag/MSBNK-EAWAG-EC102705.txt
new file mode 100644
index 0000000000..f1bdaf0e04
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC102705.txt
@@ -0,0 +1,87 @@
+ACCESSION: MSBNK-EAWAG-EC102705
+RECORD_TITLE: Bartoloside G; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.6b00351
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1027
+CH$NAME: Bartoloside G
+CH$NAME: (2S,3R,4S,5R)-2-(2-(6-chlorododecyl)-3-hydroxy-5-tridecylphenoxy)tetrahydro-2H-pyran-3,4,5-triol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C36H63ClO6
+CH$EXACT_MASS: 626.4313174
+CH$SMILES: CCCCCCCCCCCCCC1=CC(=C(C(=C1)O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)CCCCCC(CCCCCC)Cl)O
+CH$IUPAC: InChI=1S/C36H63ClO6/c1-3-5-7-9-10-11-12-13-14-15-17-21-28-25-31(38)30(24-20-16-19-23-29(37)22-18-8-6-4-2)33(26-28)43-36-35(41)34(40)32(39)27-42-36/h25-26,29,32,34-36,38-41H,3-24,27H2,1-2H3/t29?,32-,34+,35-,36+/m1/s1
+CH$LINK: PUBCHEM CID:132582910
+CH$LINK: INCHIKEY LZMVCENJBDTSPS-VFHZWBAFSA-N
+CH$LINK: CHEMSPIDER 58197377
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-661
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 17.211 min
+MS$FOCUSED_ION: BASE_PEAK 627.4378
+MS$FOCUSED_ION: PRECURSOR_M/Z 627.4386
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0079-9801000000-0b18dfcf09b52517a19d
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  45.0335 C2H5O+ 1 45.0335 0.29
+  55.0178 C3H3O+ 1 55.0178 0.13
+  55.0542 C4H7+ 1 55.0542 -1.13
+  57.0335 C3H5O+ 1 57.0335 0.09
+  57.07 C4H9+ 1 57.0699 1.34
+  61.0284 C2H5O2+ 1 61.0284 -0.34
+  69.0336 C4H5O+ 1 69.0335 1.01
+  69.0699 C5H9+ 1 69.0699 -0.1
+  71.0856 C5H11+ 1 71.0855 0.5
+  73.0284 C3H5O2+ 1 73.0284 -0.09
+  83.0857 C6H11+ 1 83.0855 2.14
+  85.0285 C4H5O2+ 1 85.0284 1.1
+  97.0283 C5H5O2+ 1 97.0284 -0.76
+  97.1012 C7H13+ 1 97.1012 0.01
+  115.0388 C5H7O3+ 1 115.039 -1.64
+  137.0596 C8H9O2+ 1 137.0597 -0.62
+  151.0751 C9H11O2+ 1 151.0754 -1.98
+  161.0594 C10H9O2+ 1 161.0597 -1.6
+  179.0701 C10H11O3+ 1 179.0703 -1.19
+  233.0804 C13H13O4+ 1 233.0808 -2.02
+  305.2471 C20H33O2+ 1 305.2475 -1.27
+  329.247 C22H33O2+ 1 329.2475 -1.48
+PK$NUM_PEAK: 22
+PK$PEAK: m/z int. rel.int.
+  45.0335 234731.1 39
+  55.0178 101834.8 16
+  55.0542 220956.8 36
+  57.0335 1864376.9 310
+  57.07 223480.3 37
+  61.0284 491461.1 81
+  69.0336 184094.8 30
+  69.0699 297334.1 49
+  71.0856 136098.4 22
+  73.0284 3548938.8 590
+  83.0857 228765.7 38
+  85.0285 244148 40
+  97.0283 197164.7 32
+  97.1012 118237.7 19
+  115.0388 188694 31
+  137.0596 6000389.5 999
+  151.0751 185697 30
+  161.0594 983829.9 163
+  179.0701 169026.1 28
+  233.0804 592896.1 98
+  305.2471 867547.9 144
+  329.247 166442.4 27
+//
diff --git a/Eawag/MSBNK-EAWAG-EC102706.txt b/Eawag/MSBNK-EAWAG-EC102706.txt
new file mode 100644
index 0000000000..37b37dcacf
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC102706.txt
@@ -0,0 +1,89 @@
+ACCESSION: MSBNK-EAWAG-EC102706
+RECORD_TITLE: Bartoloside G; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.6b00351
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1027
+CH$NAME: Bartoloside G
+CH$NAME: (2S,3R,4S,5R)-2-(2-(6-chlorododecyl)-3-hydroxy-5-tridecylphenoxy)tetrahydro-2H-pyran-3,4,5-triol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C36H63ClO6
+CH$EXACT_MASS: 626.4313174
+CH$SMILES: CCCCCCCCCCCCCC1=CC(=C(C(=C1)O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)CCCCCC(CCCCCC)Cl)O
+CH$IUPAC: InChI=1S/C36H63ClO6/c1-3-5-7-9-10-11-12-13-14-15-17-21-28-25-31(38)30(24-20-16-19-23-29(37)22-18-8-6-4-2)33(26-28)43-36-35(41)34(40)32(39)27-42-36/h25-26,29,32,34-36,38-41H,3-24,27H2,1-2H3/t29?,32-,34+,35-,36+/m1/s1
+CH$LINK: PUBCHEM CID:132582910
+CH$LINK: INCHIKEY LZMVCENJBDTSPS-VFHZWBAFSA-N
+CH$LINK: CHEMSPIDER 58197377
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-661
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 17.211 min
+MS$FOCUSED_ION: BASE_PEAK 627.4378
+MS$FOCUSED_ION: PRECURSOR_M/Z 627.4386
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-059i-9500000000-4467f45a5e75f2262a66
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  45.0335 C2H5O+ 1 45.0335 -0.64
+  55.0178 C3H3O+ 1 55.0178 0.13
+  55.0543 C4H7+ 1 55.0542 0.6
+  57.0335 C3H5O+ 1 57.0335 0.22
+  57.0699 C4H9+ 1 57.0699 0.54
+  61.0285 C2H5O2+ 1 61.0284 1.6
+  69.0335 C4H5O+ 1 69.0335 -0.42
+  69.0699 C5H9+ 1 69.0699 0.12
+  71.0129 C3H3O2+ 1 71.0128 2.46
+  71.0856 C5H11+ 1 71.0855 1.14
+  73.0284 C3H5O2+ 1 73.0284 0.12
+  83.0856 C6H11+ 1 83.0855 0.76
+  85.0284 C4H5O2+ 1 85.0284 0.38
+  85.1014 C6H13+ 1 85.1012 2.15
+  97.0284 C5H5O2+ 1 97.0284 -0.21
+  97.1014 C7H13+ 1 97.1012 2.45
+  137.0596 C8H9O2+ 1 137.0597 -0.51
+  151.0754 C9H11O2+ 1 151.0754 0.14
+  161.0596 C10H9O2+ 1 161.0597 -0.74
+  163.0755 C10H11O2+ 1 163.0754 1.15
+  175.0752 C11H11O2+ 1 175.0754 -0.71
+  203.0696 C12H11O3+ 1 203.0703 -3.39
+  233.0801 C13H13O4+ 1 233.0808 -3.07
+PK$NUM_PEAK: 23
+PK$PEAK: m/z int. rel.int.
+  45.0335 384159.7 72
+  55.0178 171002.6 32
+  55.0543 753515.6 142
+  57.0335 2303298.2 435
+  57.0699 500441.3 94
+  61.0285 419843.7 79
+  69.0335 257476.8 48
+  69.0699 701097.6 132
+  71.0129 86324.8 16
+  71.0856 136839.7 25
+  73.0284 3596489 680
+  83.0856 252050.6 47
+  85.0284 270520.2 51
+  85.1014 57100.8 10
+  97.0284 154482.6 29
+  97.1014 174804 33
+  137.0596 5281923 999
+  151.0754 214865.1 40
+  161.0596 876163.1 165
+  163.0755 142854.2 27
+  175.0752 248574.8 47
+  203.0696 119718.2 22
+  233.0801 442983.8 83
+//
diff --git a/Eawag/MSBNK-EAWAG-EC102707.txt b/Eawag/MSBNK-EAWAG-EC102707.txt
new file mode 100644
index 0000000000..e9de0566b0
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC102707.txt
@@ -0,0 +1,83 @@
+ACCESSION: MSBNK-EAWAG-EC102707
+RECORD_TITLE: Bartoloside G; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.6b00351
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1027
+CH$NAME: Bartoloside G
+CH$NAME: (2S,3R,4S,5R)-2-(2-(6-chlorododecyl)-3-hydroxy-5-tridecylphenoxy)tetrahydro-2H-pyran-3,4,5-triol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C36H63ClO6
+CH$EXACT_MASS: 626.4313174
+CH$SMILES: CCCCCCCCCCCCCC1=CC(=C(C(=C1)O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)CCCCCC(CCCCCC)Cl)O
+CH$IUPAC: InChI=1S/C36H63ClO6/c1-3-5-7-9-10-11-12-13-14-15-17-21-28-25-31(38)30(24-20-16-19-23-29(37)22-18-8-6-4-2)33(26-28)43-36-35(41)34(40)32(39)27-42-36/h25-26,29,32,34-36,38-41H,3-24,27H2,1-2H3/t29?,32-,34+,35-,36+/m1/s1
+CH$LINK: PUBCHEM CID:132582910
+CH$LINK: INCHIKEY LZMVCENJBDTSPS-VFHZWBAFSA-N
+CH$LINK: CHEMSPIDER 58197377
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-661
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 17.211 min
+MS$FOCUSED_ION: BASE_PEAK 627.4378
+MS$FOCUSED_ION: PRECURSOR_M/Z 627.4386
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-059i-9500000000-47dac7dc54b12c75d8c6
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  45.0335 C2H5O+ 1 45.0335 -0.47
+  55.0179 C3H3O+ 1 55.0178 0.48
+  55.0542 C4H7+ 1 55.0542 -0.09
+  57.0335 C3H5O+ 1 57.0335 -0.12
+  57.0699 C4H9+ 1 57.0699 -0.26
+  59.0493 C3H7O+ 1 59.0491 2.89
+  61.0284 C2H5O2+ 1 61.0284 0.47
+  69.0334 C4H5O+ 1 69.0335 -1.97
+  69.0699 C5H9+ 1 69.0699 0.45
+  71.0126 C3H3O2+ 1 71.0128 -2.27
+  71.0856 C5H11+ 1 71.0855 1.46
+  73.0284 C3H5O2+ 1 73.0284 -0.09
+  83.0856 C6H11+ 1 83.0855 0.95
+  97.1013 C7H13+ 1 97.1012 1.35
+  137.0596 C8H9O2+ 1 137.0597 -0.73
+  151.0752 C9H11O2+ 1 151.0754 -1.28
+  161.0594 C10H9O2+ 1 161.0597 -2.07
+  163.0752 C10H11O2+ 1 163.0754 -0.72
+  175.0752 C11H11O2+ 1 175.0754 -0.97
+  233.0805 C13H13O4+ 1 233.0808 -1.36
+PK$NUM_PEAK: 20
+PK$PEAK: m/z int. rel.int.
+  45.0335 512037.2 129
+  55.0179 147492.8 37
+  55.0542 1111126.4 281
+  57.0335 1972574.2 499
+  57.0699 433441.4 109
+  59.0493 124622.7 31
+  61.0284 433996.5 109
+  69.0334 282747.3 71
+  69.0699 736748.6 186
+  71.0126 68249.8 17
+  71.0856 130603.6 33
+  73.0284 2797517.5 708
+  83.0856 125153 31
+  97.1013 49738.8 12
+  137.0596 3943821 999
+  151.0752 212451.5 53
+  161.0594 690741.5 174
+  163.0752 97207.9 24
+  175.0752 321269 81
+  233.0805 169040.6 42
+//
diff --git a/Eawag/MSBNK-EAWAG-EC102708.txt b/Eawag/MSBNK-EAWAG-EC102708.txt
new file mode 100644
index 0000000000..665dabf619
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC102708.txt
@@ -0,0 +1,81 @@
+ACCESSION: MSBNK-EAWAG-EC102708
+RECORD_TITLE: Bartoloside G; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.6b00351
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1027
+CH$NAME: Bartoloside G
+CH$NAME: (2S,3R,4S,5R)-2-(2-(6-chlorododecyl)-3-hydroxy-5-tridecylphenoxy)tetrahydro-2H-pyran-3,4,5-triol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C36H63ClO6
+CH$EXACT_MASS: 626.4313174
+CH$SMILES: CCCCCCCCCCCCCC1=CC(=C(C(=C1)O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)CCCCCC(CCCCCC)Cl)O
+CH$IUPAC: InChI=1S/C36H63ClO6/c1-3-5-7-9-10-11-12-13-14-15-17-21-28-25-31(38)30(24-20-16-19-23-29(37)22-18-8-6-4-2)33(26-28)43-36-35(41)34(40)32(39)27-42-36/h25-26,29,32,34-36,38-41H,3-24,27H2,1-2H3/t29?,32-,34+,35-,36+/m1/s1
+CH$LINK: PUBCHEM CID:132582910
+CH$LINK: INCHIKEY LZMVCENJBDTSPS-VFHZWBAFSA-N
+CH$LINK: CHEMSPIDER 58197377
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-661
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 17.211 min
+MS$FOCUSED_ION: BASE_PEAK 627.4378
+MS$FOCUSED_ION: PRECURSOR_M/Z 627.4386
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0abi-9300000000-409c8c95f24e1361f06d
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  45.0334 C2H5O+ 1 45.0335 -1.66
+  55.0178 C3H3O+ 1 55.0178 -0.01
+  55.0542 C4H7+ 1 55.0542 -0.44
+  57.0335 C3H5O+ 1 57.0335 -0.25
+  57.0699 C4H9+ 1 57.0699 0.74
+  59.0492 C3H7O+ 1 59.0491 1.14
+  61.0284 C2H5O2+ 1 61.0284 -0.78
+  67.0541 C5H7+ 1 67.0542 -1.22
+  69.0334 C4H5O+ 1 69.0335 -0.86
+  69.0699 C5H9+ 1 69.0699 0.01
+  71.0129 C3H3O2+ 1 71.0128 1.6
+  73.0284 C3H5O2+ 1 73.0284 -0.2
+  83.0855 C6H11+ 1 83.0855 0.03
+  85.0286 C4H5O2+ 1 85.0284 2.26
+  91.0544 C7H7+ 1 91.0542 2.23
+  123.0439 C7H7O2+ 1 123.0441 -1.6
+  137.0597 C8H9O2+ 1 137.0597 -0.29
+  161.0594 C10H9O2+ 1 161.0597 -2.16
+  174.0673 C11H10O2+ 1 174.0675 -1.4
+PK$NUM_PEAK: 19
+PK$PEAK: m/z int. rel.int.
+  45.0334 598653.2 269
+  55.0178 102243.8 46
+  55.0542 923071.9 415
+  57.0335 1736058.6 781
+  57.0699 370886.8 167
+  59.0492 66617.4 30
+  61.0284 395421.1 178
+  67.0541 48434.2 21
+  69.0334 207927.1 93
+  69.0699 532220.3 239
+  71.0129 78120.1 35
+  73.0284 1892486.5 852
+  83.0855 93382.5 42
+  85.0286 149211.3 67
+  91.0544 99410.7 44
+  123.0439 134173.8 60
+  137.0597 2217935.2 999
+  161.0594 465834.9 209
+  174.0673 147348.5 66
+//
diff --git a/Eawag/MSBNK-EAWAG-EC102709.txt b/Eawag/MSBNK-EAWAG-EC102709.txt
new file mode 100644
index 0000000000..1b32cea023
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC102709.txt
@@ -0,0 +1,81 @@
+ACCESSION: MSBNK-EAWAG-EC102709
+RECORD_TITLE: Bartoloside G; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.6b00351
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1027
+CH$NAME: Bartoloside G
+CH$NAME: (2S,3R,4S,5R)-2-(2-(6-chlorododecyl)-3-hydroxy-5-tridecylphenoxy)tetrahydro-2H-pyran-3,4,5-triol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C36H63ClO6
+CH$EXACT_MASS: 626.4313174
+CH$SMILES: CCCCCCCCCCCCCC1=CC(=C(C(=C1)O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)CCCCCC(CCCCCC)Cl)O
+CH$IUPAC: InChI=1S/C36H63ClO6/c1-3-5-7-9-10-11-12-13-14-15-17-21-28-25-31(38)30(24-20-16-19-23-29(37)22-18-8-6-4-2)33(26-28)43-36-35(41)34(40)32(39)27-42-36/h25-26,29,32,34-36,38-41H,3-24,27H2,1-2H3/t29?,32-,34+,35-,36+/m1/s1
+CH$LINK: PUBCHEM CID:132582910
+CH$LINK: INCHIKEY LZMVCENJBDTSPS-VFHZWBAFSA-N
+CH$LINK: CHEMSPIDER 58197377
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-661
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 17.211 min
+MS$FOCUSED_ION: BASE_PEAK 627.4378
+MS$FOCUSED_ION: PRECURSOR_M/Z 627.4386
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0a4i-9300000000-a5c3a7c85ed09cbd9917
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  45.0334 C2H5O+ 1 45.0335 -1.4
+  55.0179 C3H3O+ 1 55.0178 1.17
+  55.0542 C4H7+ 1 55.0542 -0.37
+  57.0334 C3H5O+ 1 57.0335 -0.85
+  57.0697 C4H9+ 1 57.0699 -2.34
+  61.0284 C2H5O2+ 1 61.0284 -0.65
+  67.0543 C5H7+ 1 67.0542 1.4
+  69.0698 C5H9+ 1 69.0699 -0.43
+  71.0127 C3H3O2+ 1 71.0128 -0.23
+  73.0284 C3H5O2+ 1 73.0284 -0.3
+  83.0855 C6H11+ 1 83.0855 -0.15
+  85.0286 C4H5O2+ 1 85.0284 1.91
+  91.0545 C7H7+ 1 91.0542 3.49
+  123.0441 C7H7O2+ 1 123.0441 0.14
+  137.0595 C8H9O2+ 1 137.0597 -1.51
+  151.0749 C9H11O2+ 1 151.0754 -2.89
+  161.0596 C10H9O2+ 1 161.0597 -0.84
+  174.0674 C11H10O2+ 1 174.0675 -0.88
+  175.0756 C11H11O2+ 1 175.0754 1.56
+PK$NUM_PEAK: 19
+PK$PEAK: m/z int. rel.int.
+  45.0334 210631 104
+  55.0179 127799 63
+  55.0542 1069809.6 531
+  57.0334 2012358.1 999
+  57.0697 309210.1 153
+  61.0284 293624.8 145
+  67.0543 101039.3 50
+  69.0698 431854.4 214
+  71.0127 115755.1 57
+  73.0284 1372091.6 681
+  83.0855 56997.2 28
+  85.0286 153140.7 76
+  91.0545 160398.5 79
+  123.0441 196668 97
+  137.0595 1540143 764
+  151.0749 99688.9 49
+  161.0596 323396.2 160
+  174.0674 122530.6 60
+  175.0756 150262.4 74
+//
diff --git a/Eawag/MSBNK-EAWAG-EC103101.txt b/Eawag/MSBNK-EAWAG-EC103101.txt
new file mode 100644
index 0000000000..345f9334c7
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC103101.txt
@@ -0,0 +1,55 @@
+ACCESSION: MSBNK-EAWAG-EC103101
+RECORD_TITLE: Bartoloside I; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.6b00351
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1031
+CH$NAME: Bartoloside I
+CH$NAME: (2S,3R,4S,5R)-2-(2-(6-chlorododecyl)-5-(6,6-dichlorotridecyl)-3-hydroxyphenoxy)tetrahydro-2H-pyran-3,4,5-triol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C36H61Cl3O6
+CH$EXACT_MASS: 694.3533727
+CH$SMILES: CCCCCCCC(CCCCCC1=CC(=C(C(=C1)O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)CCCCCC(CCCCCC)Cl)O)(Cl)Cl
+CH$IUPAC: InChI=1S/C36H61Cl3O6/c1-3-5-7-9-16-22-36(38,39)23-17-11-12-18-27-24-30(40)29(21-15-10-14-20-28(37)19-13-8-6-4-2)32(25-27)45-35-34(43)33(42)31(41)26-44-35/h24-25,28,31,33-35,40-43H,3-23,26H2,1-2H3/t28?,31-,33+,34-,35+/m1/s1
+CH$LINK: PUBCHEM CID:132582914
+CH$LINK: INCHIKEY LWFZKXMCJDHBNJ-SLKDEOFASA-N
+CH$LINK: CHEMSPIDER 58197379
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-730
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 16.945 min
+MS$FOCUSED_ION: BASE_PEAK 563.3179
+MS$FOCUSED_ION: PRECURSOR_M/Z 695.3606
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-01t9-0000091000-7d6fa3d6c14f61d70aba
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  57.0335 C3H5O+ 1 57.0335 -0.38
+  73.0283 C3H5O2+ 1 73.0284 -1.24
+  115.0388 C5H7O3+ 1 115.039 -1.64
+  527.3414 C31H53Cl2O2+ 2 527.3417 -0.65
+  563.3181 C31H54Cl3O2+ 1 563.3184 -0.51
+  623.3632 C30H62Cl3O6+ 2 623.3606 4.07
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  57.0335 43701.1 32
+  73.0283 192408.3 144
+  115.0388 67629.7 50
+  527.3414 1333294.1 999
+  563.3181 944532.7 707
+  623.3632 301655.5 226
+//
diff --git a/Eawag/MSBNK-EAWAG-EC103102.txt b/Eawag/MSBNK-EAWAG-EC103102.txt
new file mode 100644
index 0000000000..b8d83777ed
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC103102.txt
@@ -0,0 +1,73 @@
+ACCESSION: MSBNK-EAWAG-EC103102
+RECORD_TITLE: Bartoloside I; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.6b00351
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1031
+CH$NAME: Bartoloside I
+CH$NAME: (2S,3R,4S,5R)-2-(2-(6-chlorododecyl)-5-(6,6-dichlorotridecyl)-3-hydroxyphenoxy)tetrahydro-2H-pyran-3,4,5-triol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C36H61Cl3O6
+CH$EXACT_MASS: 694.3533727
+CH$SMILES: CCCCCCCC(CCCCCC1=CC(=C(C(=C1)O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)CCCCCC(CCCCCC)Cl)O)(Cl)Cl
+CH$IUPAC: InChI=1S/C36H61Cl3O6/c1-3-5-7-9-16-22-36(38,39)23-17-11-12-18-27-24-30(40)29(21-15-10-14-20-28(37)19-13-8-6-4-2)32(25-27)45-35-34(43)33(42)31(41)26-44-35/h24-25,28,31,33-35,40-43H,3-23,26H2,1-2H3/t28?,31-,33+,34-,35+/m1/s1
+CH$LINK: PUBCHEM CID:132582914
+CH$LINK: INCHIKEY LWFZKXMCJDHBNJ-SLKDEOFASA-N
+CH$LINK: CHEMSPIDER 58197379
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-730
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 16.945 min
+MS$FOCUSED_ION: BASE_PEAK 563.3179
+MS$FOCUSED_ION: PRECURSOR_M/Z 695.3606
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-004i-2000190000-a76afe149567b412a758
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  57.0335 C3H5O+ 1 57.0335 -0.72
+  61.0283 C2H5O2+ 1 61.0284 -1.59
+  73.0284 C3H5O2+ 1 73.0284 -0.51
+  115.0389 C5H7O3+ 1 115.039 -0.91
+  133.0496 C5H9O4+ 1 133.0495 0.35
+  273.1111 C16H17O4+ 2 273.1121 -3.85
+  303.2299 C14H36ClO4+ 1 303.2297 0.91
+  339.2076 C20H32ClO2+ 2 339.2085 -2.9
+  361.1921 C22H30ClO2+ 2 361.1929 -2.28
+  397.2361 C19H38ClO6+ 2 397.2351 2.31
+  491.3646 C25H57Cl2O4+ 2 491.3628 3.62
+  527.3413 C31H53Cl2O2+ 2 527.3417 -0.77
+  563.3188 C31H54Cl3O2+ 1 563.3184 0.79
+  587.394 C35H62Cl3+ 1 587.3912 4.8
+  659.3826 C36H61Cl2O6+ 1 659.384 -2.1
+PK$NUM_PEAK: 15
+PK$PEAK: m/z int. rel.int.
+  57.0335 153243.2 80
+  61.0283 57407.2 29
+  73.0284 509603.7 266
+  115.0389 150846.5 78
+  133.0496 41536.9 21
+  273.1111 28179.1 14
+  303.2299 27820.6 14
+  339.2076 89150.4 46
+  361.1921 40516.1 21
+  397.2361 78565.3 41
+  491.3646 294245.4 153
+  527.3413 1911903.4 999
+  563.3188 171459.3 89
+  587.394 147846.6 77
+  659.3826 157130.5 82
+//
diff --git a/Eawag/MSBNK-EAWAG-EC103103.txt b/Eawag/MSBNK-EAWAG-EC103103.txt
new file mode 100644
index 0000000000..d7931a7af8
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC103103.txt
@@ -0,0 +1,83 @@
+ACCESSION: MSBNK-EAWAG-EC103103
+RECORD_TITLE: Bartoloside I; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.6b00351
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1031
+CH$NAME: Bartoloside I
+CH$NAME: (2S,3R,4S,5R)-2-(2-(6-chlorododecyl)-5-(6,6-dichlorotridecyl)-3-hydroxyphenoxy)tetrahydro-2H-pyran-3,4,5-triol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C36H61Cl3O6
+CH$EXACT_MASS: 694.3533727
+CH$SMILES: CCCCCCCC(CCCCCC1=CC(=C(C(=C1)O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)CCCCCC(CCCCCC)Cl)O)(Cl)Cl
+CH$IUPAC: InChI=1S/C36H61Cl3O6/c1-3-5-7-9-16-22-36(38,39)23-17-11-12-18-27-24-30(40)29(21-15-10-14-20-28(37)19-13-8-6-4-2)32(25-27)45-35-34(43)33(42)31(41)26-44-35/h24-25,28,31,33-35,40-43H,3-23,26H2,1-2H3/t28?,31-,33+,34-,35+/m1/s1
+CH$LINK: PUBCHEM CID:132582914
+CH$LINK: INCHIKEY LWFZKXMCJDHBNJ-SLKDEOFASA-N
+CH$LINK: CHEMSPIDER 58197379
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-730
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 16.945 min
+MS$FOCUSED_ION: BASE_PEAK 563.3179
+MS$FOCUSED_ION: PRECURSOR_M/Z 695.3606
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00bc-9205480000-dc7ee2cf17fbafa249c1
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  45.0334 C2H5O+ 1 45.0335 -2.34
+  57.0335 C3H5O+ 1 57.0335 -0.52
+  61.0283 C2H5O2+ 1 61.0284 -1.15
+  69.0336 C4H5O+ 1 69.0335 1.79
+  73.0284 C3H5O2+ 1 73.0284 -0.72
+  97.0285 C5H5O2+ 1 97.0284 0.74
+  115.0387 C5H7O3+ 1 115.039 -2.11
+  133.0496 C5H9O4+ 1 133.0495 0.47
+  137.0594 C8H9O2+ 1 137.0597 -1.96
+  177.0911 C11H13O2+ 1 177.091 0.66
+  233.0803 C13H13O4+ 1 233.0808 -2.08
+  301.2159 C20H29O2+ 1 301.2162 -1.1
+  303.231 C14H36ClO4+ 2 303.2297 4.33
+  337.1925 C20H30ClO2+ 1 337.1929 -1.1
+  339.2077 C20H32ClO2+ 2 339.2085 -2.36
+  397.2371 C19H38ClO6+ 2 397.2351 5
+  433.2152 C31H29O2+ 2 433.2162 -2.34
+  491.364 C25H57Cl2O4+ 2 491.3628 2.37
+  527.3412 C31H53Cl2O2+ 2 527.3417 -1
+  587.3889 C35H62Cl3+ 2 587.3912 -3.82
+PK$NUM_PEAK: 20
+PK$PEAK: m/z int. rel.int.
+  45.0334 20716 20
+  57.0335 233906.2 227
+  61.0283 93918.2 91
+  69.0336 21537.7 20
+  73.0284 708775.1 689
+  97.0285 29622 28
+  115.0387 148541 144
+  133.0496 30849.1 29
+  137.0594 64173 62
+  177.0911 42619 41
+  233.0803 96167.8 93
+  301.2159 89508.4 87
+  303.231 144201.7 140
+  337.1925 225882.5 219
+  339.2077 141647.8 137
+  397.2371 31718.6 30
+  433.2152 55924.4 54
+  491.364 526199.7 511
+  527.3412 1027298.7 999
+  587.3889 68087.1 66
+//
diff --git a/Eawag/MSBNK-EAWAG-EC103104.txt b/Eawag/MSBNK-EAWAG-EC103104.txt
new file mode 100644
index 0000000000..482b9aeac3
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC103104.txt
@@ -0,0 +1,91 @@
+ACCESSION: MSBNK-EAWAG-EC103104
+RECORD_TITLE: Bartoloside I; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.6b00351
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1031
+CH$NAME: Bartoloside I
+CH$NAME: (2S,3R,4S,5R)-2-(2-(6-chlorododecyl)-5-(6,6-dichlorotridecyl)-3-hydroxyphenoxy)tetrahydro-2H-pyran-3,4,5-triol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C36H61Cl3O6
+CH$EXACT_MASS: 694.3533727
+CH$SMILES: CCCCCCCC(CCCCCC1=CC(=C(C(=C1)O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)CCCCCC(CCCCCC)Cl)O)(Cl)Cl
+CH$IUPAC: InChI=1S/C36H61Cl3O6/c1-3-5-7-9-16-22-36(38,39)23-17-11-12-18-27-24-30(40)29(21-15-10-14-20-28(37)19-13-8-6-4-2)32(25-27)45-35-34(43)33(42)31(41)26-44-35/h24-25,28,31,33-35,40-43H,3-23,26H2,1-2H3/t28?,31-,33+,34-,35+/m1/s1
+CH$LINK: PUBCHEM CID:132582914
+CH$LINK: INCHIKEY LWFZKXMCJDHBNJ-SLKDEOFASA-N
+CH$LINK: CHEMSPIDER 58197379
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-730
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 16.945 min
+MS$FOCUSED_ION: BASE_PEAK 563.3179
+MS$FOCUSED_ION: PRECURSOR_M/Z 695.3606
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00g0-9413210000-981e79b0a6740398e781
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  45.0336 C2H5O+ 1 45.0335 1.98
+  57.0335 C3H5O+ 1 57.0335 -0.12
+  61.0284 C2H5O2+ 1 61.0284 0.28
+  69.0334 C4H5O+ 1 69.0335 -0.75
+  73.0284 C3H5O2+ 1 73.0284 -0.3
+  95.0853 C7H11+ 1 95.0855 -2.29
+  97.0285 C5H5O2+ 1 97.0284 1.21
+  109.1016 C8H13+ 1 109.1012 3.53
+  115.0392 C5H7O3+ 1 115.039 1.87
+  137.0596 C8H9O2+ 1 137.0597 -0.73
+  161.0597 C10H9O2+ 1 161.0597 0.01
+  163.0753 C10H11O2+ 1 163.0754 -0.44
+  177.0908 C11H13O2+ 1 177.091 -1.4
+  191.1069 C12H15O2+ 1 191.1067 1.24
+  203.1068 C13H15O2+ 1 203.1067 0.77
+  233.0801 C13H13O4+ 1 233.0808 -3.33
+  273.1116 C16H17O4+ 1 273.1121 -1.95
+  301.216 C20H29O2+ 1 301.2162 -0.8
+  303.231 C14H36ClO4+ 2 303.2297 4.33
+  325.2166 C22H29O2+ 1 325.2162 1.24
+  337.1924 C20H30ClO2+ 2 337.1929 -1.55
+  361.1926 C22H30ClO2+ 1 361.1929 -0.68
+  491.3645 C25H57Cl2O4+ 2 491.3628 3.31
+  527.3416 C31H53Cl2O2+ 2 527.3417 -0.31
+PK$NUM_PEAK: 24
+PK$PEAK: m/z int. rel.int.
+  45.0336 33790.5 37
+  57.0335 349811.4 384
+  61.0284 120948.8 133
+  69.0334 40046.2 44
+  73.0284 907722.7 999
+  95.0853 53547.7 58
+  97.0285 45155.2 49
+  109.1016 40830.3 44
+  115.0392 82938.9 91
+  137.0596 242082.6 266
+  161.0597 93390.2 102
+  163.0753 115199.4 126
+  177.0908 174309.8 191
+  191.1069 52078.4 57
+  203.1068 21338.2 23
+  233.0801 157290.7 173
+  273.1116 42630 46
+  301.216 155619.4 171
+  303.231 203829.5 224
+  325.2166 30429.7 33
+  337.1924 228433.2 251
+  361.1926 53322.7 58
+  491.3645 422943.5 465
+  527.3416 290214.1 319
+//
diff --git a/Eawag/MSBNK-EAWAG-EC103105.txt b/Eawag/MSBNK-EAWAG-EC103105.txt
new file mode 100644
index 0000000000..639f3b8750
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC103105.txt
@@ -0,0 +1,101 @@
+ACCESSION: MSBNK-EAWAG-EC103105
+RECORD_TITLE: Bartoloside I; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.6b00351
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1031
+CH$NAME: Bartoloside I
+CH$NAME: (2S,3R,4S,5R)-2-(2-(6-chlorododecyl)-5-(6,6-dichlorotridecyl)-3-hydroxyphenoxy)tetrahydro-2H-pyran-3,4,5-triol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C36H61Cl3O6
+CH$EXACT_MASS: 694.3533727
+CH$SMILES: CCCCCCCC(CCCCCC1=CC(=C(C(=C1)O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)CCCCCC(CCCCCC)Cl)O)(Cl)Cl
+CH$IUPAC: InChI=1S/C36H61Cl3O6/c1-3-5-7-9-16-22-36(38,39)23-17-11-12-18-27-24-30(40)29(21-15-10-14-20-28(37)19-13-8-6-4-2)32(25-27)45-35-34(43)33(42)31(41)26-44-35/h24-25,28,31,33-35,40-43H,3-23,26H2,1-2H3/t28?,31-,33+,34-,35+/m1/s1
+CH$LINK: PUBCHEM CID:132582914
+CH$LINK: INCHIKEY LWFZKXMCJDHBNJ-SLKDEOFASA-N
+CH$LINK: CHEMSPIDER 58197379
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-730
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 16.945 min
+MS$FOCUSED_ION: BASE_PEAK 563.3179
+MS$FOCUSED_ION: PRECURSOR_M/Z 695.3606
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-022i-9700000000-0dd54b1464c0602e7ddb
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  45.0335 C2H5O+ 1 45.0335 0.71
+  55.0543 C4H7+ 1 55.0542 2.06
+  57.0335 C3H5O+ 1 57.0335 -0.05
+  61.0284 C2H5O2+ 1 61.0284 0.41
+  67.0542 C5H7+ 1 67.0542 -1.1
+  69.0336 C4H5O+ 1 69.0335 1.68
+  69.0699 C5H9+ 1 69.0699 1
+  73.0284 C3H5O2+ 1 73.0284 -0.2
+  81.0699 C6H9+ 1 81.0699 0.64
+  83.0856 C6H11+ 1 83.0855 1.13
+  85.0287 C4H5O2+ 1 85.0284 3.16
+  95.0855 C7H11+ 1 95.0855 -0.52
+  97.0284 C5H5O2+ 1 97.0284 0.42
+  97.1014 C7H13+ 1 97.1012 2.76
+  115.0391 C5H7O3+ 1 115.039 0.75
+  123.0442 C7H7O2+ 1 123.0441 1.26
+  137.0596 C8H9O2+ 1 137.0597 -0.84
+  149.0597 C9H9O2+ 1 149.0597 0.01
+  151.0755 C9H11O2+ 1 151.0754 0.64
+  161.0596 C10H9O2+ 1 161.0597 -0.55
+  163.0751 C10H11O2+ 1 163.0754 -1.47
+  171.0207 C8H8ClO2+ 1 171.0207 -0.48
+  175.0754 C11H11O2+ 1 175.0754 0.51
+  177.0908 C11H13O2+ 1 177.091 -0.97
+  191.1064 C12H15O2+ 1 191.1067 -1.24
+  201.0908 C13H13O2+ 1 201.091 -1.09
+  203.1065 C13H15O2+ 1 203.1067 -0.73
+  233.0801 C13H13O4+ 1 233.0808 -3.2
+  303.2311 C14H36ClO4+ 2 303.2297 4.73
+PK$NUM_PEAK: 29
+PK$PEAK: m/z int. rel.int.
+  45.0335 45879.4 53
+  55.0543 48591.7 56
+  57.0335 412321.7 478
+  61.0284 112284.2 130
+  67.0542 76247.9 88
+  69.0336 53034.3 61
+  69.0699 99414.8 115
+  73.0284 860632.6 999
+  81.0699 77371.7 89
+  83.0856 37152.2 43
+  85.0287 45199 52
+  95.0855 115255.2 133
+  97.0284 38712.4 44
+  97.1014 38647.7 44
+  115.0391 51808.2 60
+  123.0442 45806.2 53
+  137.0596 653225.9 758
+  149.0597 27996.1 32
+  151.0755 43736.7 50
+  161.0596 170757.8 198
+  163.0751 236129.9 274
+  171.0207 50037.8 58
+  175.0754 52284.1 60
+  177.0908 252928.9 293
+  191.1064 99375.9 115
+  201.0908 36900.2 42
+  203.1065 35936.3 41
+  233.0801 145149.9 168
+  303.2311 62933.2 73
+//
diff --git a/Eawag/MSBNK-EAWAG-EC103106.txt b/Eawag/MSBNK-EAWAG-EC103106.txt
new file mode 100644
index 0000000000..0694fef9e4
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC103106.txt
@@ -0,0 +1,99 @@
+ACCESSION: MSBNK-EAWAG-EC103106
+RECORD_TITLE: Bartoloside I; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.6b00351
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1031
+CH$NAME: Bartoloside I
+CH$NAME: (2S,3R,4S,5R)-2-(2-(6-chlorododecyl)-5-(6,6-dichlorotridecyl)-3-hydroxyphenoxy)tetrahydro-2H-pyran-3,4,5-triol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C36H61Cl3O6
+CH$EXACT_MASS: 694.3533727
+CH$SMILES: CCCCCCCC(CCCCCC1=CC(=C(C(=C1)O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)CCCCCC(CCCCCC)Cl)O)(Cl)Cl
+CH$IUPAC: InChI=1S/C36H61Cl3O6/c1-3-5-7-9-16-22-36(38,39)23-17-11-12-18-27-24-30(40)29(21-15-10-14-20-28(37)19-13-8-6-4-2)32(25-27)45-35-34(43)33(42)31(41)26-44-35/h24-25,28,31,33-35,40-43H,3-23,26H2,1-2H3/t28?,31-,33+,34-,35+/m1/s1
+CH$LINK: PUBCHEM CID:132582914
+CH$LINK: INCHIKEY LWFZKXMCJDHBNJ-SLKDEOFASA-N
+CH$LINK: CHEMSPIDER 58197379
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-730
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 16.945 min
+MS$FOCUSED_ION: BASE_PEAK 563.3179
+MS$FOCUSED_ION: PRECURSOR_M/Z 695.3606
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-05g0-9600000000-550a6bbdde40ece9ef60
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  45.0334 C2H5O+ 1 45.0335 -1.23
+  55.018 C3H3O+ 1 55.0178 2.14
+  55.0542 C4H7+ 1 55.0542 -0.23
+  57.0335 C3H5O+ 1 57.0335 -0.52
+  61.0285 C2H5O2+ 1 61.0284 0.91
+  67.0541 C5H7+ 1 67.0542 -2.13
+  69.0334 C4H5O+ 1 69.0335 -1.86
+  69.0699 C5H9+ 1 69.0699 0.34
+  71.0129 C3H3O2+ 1 71.0128 2.56
+  73.0284 C3H5O2+ 1 73.0284 -0.41
+  81.0699 C6H9+ 1 81.0699 0.45
+  83.0853 C6H11+ 1 83.0855 -2.17
+  85.0284 C4H5O2+ 1 85.0284 -0.43
+  95.0855 C7H11+ 1 95.0855 -0.6
+  97.0284 C5H5O2+ 1 97.0284 -0.13
+  109.101 C8H13+ 1 109.1012 -1.36
+  115.0391 C5H7O3+ 1 115.039 1.54
+  123.044 C7H7O2+ 1 123.0441 -0.61
+  137.0596 C8H9O2+ 1 137.0597 -0.96
+  151.0755 C9H11O2+ 1 151.0754 0.64
+  161.0597 C10H9O2+ 1 161.0597 -0.27
+  163.0753 C10H11O2+ 1 163.0754 -0.16
+  171.021 C8H8ClO2+ 1 171.0207 1.4
+  175.0754 C11H11O2+ 1 175.0754 -0.01
+  177.0907 C11H13O2+ 1 177.091 -1.49
+  191.1058 C12H15O2+ 1 191.1067 -4.27
+  195.0211 C10H8ClO2+ 1 195.0207 1.89
+  233.0802 C13H13O4+ 1 233.0808 -2.8
+PK$NUM_PEAK: 28
+PK$PEAK: m/z int. rel.int.
+  45.0334 77193.2 89
+  55.018 20748.1 24
+  55.0542 139925.8 162
+  57.0335 514914.2 596
+  61.0285 110387.6 127
+  67.0541 112494.6 130
+  69.0334 63781.3 73
+  69.0699 164178.3 190
+  71.0129 18931.5 21
+  73.0284 862355.8 999
+  81.0699 110414 127
+  83.0853 64629.6 74
+  85.0284 60285.8 69
+  95.0855 138537.4 160
+  97.0284 28351.7 32
+  109.101 87258.7 101
+  115.0391 24539.6 28
+  123.044 89398.5 103
+  137.0596 731782.3 847
+  151.0755 45487.4 52
+  161.0597 193754.2 224
+  163.0753 181250.2 209
+  171.021 27649.7 32
+  175.0754 86964 100
+  177.0907 169007.7 195
+  191.1058 55321.4 64
+  195.0211 24430 28
+  233.0802 115175.2 133
+//
diff --git a/Eawag/MSBNK-EAWAG-EC103107.txt b/Eawag/MSBNK-EAWAG-EC103107.txt
new file mode 100644
index 0000000000..0392c645bc
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC103107.txt
@@ -0,0 +1,91 @@
+ACCESSION: MSBNK-EAWAG-EC103107
+RECORD_TITLE: Bartoloside I; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.6b00351
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1031
+CH$NAME: Bartoloside I
+CH$NAME: (2S,3R,4S,5R)-2-(2-(6-chlorododecyl)-5-(6,6-dichlorotridecyl)-3-hydroxyphenoxy)tetrahydro-2H-pyran-3,4,5-triol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C36H61Cl3O6
+CH$EXACT_MASS: 694.3533727
+CH$SMILES: CCCCCCCC(CCCCCC1=CC(=C(C(=C1)O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)CCCCCC(CCCCCC)Cl)O)(Cl)Cl
+CH$IUPAC: InChI=1S/C36H61Cl3O6/c1-3-5-7-9-16-22-36(38,39)23-17-11-12-18-27-24-30(40)29(21-15-10-14-20-28(37)19-13-8-6-4-2)32(25-27)45-35-34(43)33(42)31(41)26-44-35/h24-25,28,31,33-35,40-43H,3-23,26H2,1-2H3/t28?,31-,33+,34-,35+/m1/s1
+CH$LINK: PUBCHEM CID:132582914
+CH$LINK: INCHIKEY LWFZKXMCJDHBNJ-SLKDEOFASA-N
+CH$LINK: CHEMSPIDER 58197379
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-730
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 16.945 min
+MS$FOCUSED_ION: BASE_PEAK 563.3179
+MS$FOCUSED_ION: PRECURSOR_M/Z 695.3606
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0abi-9300000000-af4865bbe5871f4f2412
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  45.0335 C2H5O+ 1 45.0335 -0.22
+  55.0178 C3H3O+ 1 55.0178 -0.35
+  55.0542 C4H7+ 1 55.0542 -0.92
+  57.0334 C3H5O+ 1 57.0335 -0.99
+  61.0284 C2H5O2+ 1 61.0284 -0.84
+  67.0542 C5H7+ 1 67.0542 -0.31
+  69.0334 C4H5O+ 1 69.0335 -1.86
+  69.0698 C5H9+ 1 69.0699 -1.1
+  71.0129 C3H3O2+ 1 71.0128 2.13
+  73.0284 C3H5O2+ 1 73.0284 -0.72
+  79.0543 C6H7+ 1 79.0542 1.17
+  81.0698 C6H9+ 1 81.0699 -1.43
+  83.0856 C6H11+ 1 83.0855 1.41
+  85.0284 C4H5O2+ 1 85.0284 0.29
+  93.07 C7H9+ 1 93.0699 1.37
+  95.0854 C7H11+ 1 95.0855 -1.09
+  123.0438 C7H7O2+ 1 123.0441 -1.85
+  135.0441 C8H7O2+ 1 135.0441 0.52
+  137.0595 C8H9O2+ 1 137.0597 -1.73
+  151.0752 C9H11O2+ 1 151.0754 -1.28
+  161.0594 C10H9O2+ 1 161.0597 -1.88
+  163.075 C10H11O2+ 1 163.0754 -1.94
+  175.0751 C11H11O2+ 1 175.0754 -1.67
+  177.0913 C11H13O2+ 1 177.091 1.44
+PK$NUM_PEAK: 24
+PK$PEAK: m/z int. rel.int.
+  45.0335 110313.6 140
+  55.0178 33285.5 42
+  55.0542 227710.7 289
+  57.0334 563620.6 715
+  61.0284 109103.5 138
+  67.0542 181195.6 230
+  69.0334 82009.2 104
+  69.0698 149487.2 189
+  71.0129 25379.7 32
+  73.0284 786456.9 999
+  79.0543 36640.3 46
+  81.0698 163330.6 207
+  83.0856 51491.8 65
+  85.0284 52054.7 66
+  93.07 24867.9 31
+  95.0854 123714.1 157
+  123.0438 70749.3 89
+  135.0441 23603.5 29
+  137.0595 538991.5 684
+  151.0752 58752.7 74
+  161.0594 152071.1 193
+  163.075 104899.2 133
+  175.0751 79365.7 100
+  177.0913 77302.1 98
+//
diff --git a/Eawag/MSBNK-EAWAG-EC103108.txt b/Eawag/MSBNK-EAWAG-EC103108.txt
new file mode 100644
index 0000000000..907ce02c3f
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC103108.txt
@@ -0,0 +1,95 @@
+ACCESSION: MSBNK-EAWAG-EC103108
+RECORD_TITLE: Bartoloside I; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.6b00351
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1031
+CH$NAME: Bartoloside I
+CH$NAME: (2S,3R,4S,5R)-2-(2-(6-chlorododecyl)-5-(6,6-dichlorotridecyl)-3-hydroxyphenoxy)tetrahydro-2H-pyran-3,4,5-triol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C36H61Cl3O6
+CH$EXACT_MASS: 694.3533727
+CH$SMILES: CCCCCCCC(CCCCCC1=CC(=C(C(=C1)O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)CCCCCC(CCCCCC)Cl)O)(Cl)Cl
+CH$IUPAC: InChI=1S/C36H61Cl3O6/c1-3-5-7-9-16-22-36(38,39)23-17-11-12-18-27-24-30(40)29(21-15-10-14-20-28(37)19-13-8-6-4-2)32(25-27)45-35-34(43)33(42)31(41)26-44-35/h24-25,28,31,33-35,40-43H,3-23,26H2,1-2H3/t28?,31-,33+,34-,35+/m1/s1
+CH$LINK: PUBCHEM CID:132582914
+CH$LINK: INCHIKEY LWFZKXMCJDHBNJ-SLKDEOFASA-N
+CH$LINK: CHEMSPIDER 58197379
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-730
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 16.945 min
+MS$FOCUSED_ION: BASE_PEAK 563.3179
+MS$FOCUSED_ION: PRECURSOR_M/Z 695.3606
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0abi-9300000000-cd7cb80242ddda183988
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  45.0334 C2H5O+ 1 45.0335 -2
+  53.0385 C4H5+ 1 53.0386 -1.92
+  55.0178 C3H3O+ 1 55.0178 -0.35
+  55.0542 C4H7+ 1 55.0542 -1.27
+  57.0335 C3H5O+ 1 57.0335 -0.58
+  61.0283 C2H5O2+ 1 61.0284 -1.53
+  67.0542 C5H7+ 1 67.0542 -0.88
+  69.0335 C4H5O+ 1 69.0335 0.46
+  69.0699 C5H9+ 1 69.0699 -0.21
+  73.0284 C3H5O2+ 1 73.0284 -0.41
+  79.0543 C6H7+ 1 79.0542 1.08
+  81.0698 C6H9+ 1 81.0699 -1.06
+  83.0856 C6H11+ 1 83.0855 0.95
+  85.0284 C4H5O2+ 1 85.0284 -0.52
+  95.0856 C7H11+ 1 95.0855 0.84
+  109.0648 C7H9O+ 1 109.0648 -0.23
+  123.0438 C7H7O2+ 1 123.0441 -2.34
+  135.044 C8H7O2+ 1 135.0441 -0.16
+  137.0595 C8H9O2+ 1 137.0597 -1.62
+  147.0441 C9H7O2+ 1 147.0441 -0.02
+  149.06 C9H9O2+ 1 149.0597 1.95
+  151.0757 C9H11O2+ 1 151.0754 2.26
+  161.0593 C10H9O2+ 1 161.0597 -2.26
+  163.0747 C10H11O2+ 1 163.0754 -4.28
+  175.0748 C11H11O2+ 1 175.0754 -3.06
+  187.0747 C12H11O2+ 1 187.0754 -3.49
+PK$NUM_PEAK: 26
+PK$PEAK: m/z int. rel.int.
+  45.0334 142454.9 194
+  53.0385 13682.6 18
+  55.0178 42163.1 57
+  55.0542 253960.3 347
+  57.0335 580112 792
+  61.0283 101172.9 138
+  67.0542 241713.5 330
+  69.0335 88473.6 120
+  69.0699 145248.9 198
+  73.0284 730892.6 999
+  79.0543 55536.1 75
+  81.0698 164301.6 224
+  83.0856 24921.2 34
+  85.0284 51430.2 70
+  95.0856 80283.4 109
+  109.0648 33791.4 46
+  123.0438 77566.8 106
+  135.044 22318.8 30
+  137.0595 427769 584
+  147.0441 20599.2 28
+  149.06 36129.4 49
+  151.0757 38700.9 52
+  161.0593 122159 166
+  163.0747 65734.3 89
+  175.0748 75783.6 103
+  187.0747 31395.3 42
+//
diff --git a/Eawag/MSBNK-EAWAG-EC103109.txt b/Eawag/MSBNK-EAWAG-EC103109.txt
new file mode 100644
index 0000000000..64b102766e
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC103109.txt
@@ -0,0 +1,77 @@
+ACCESSION: MSBNK-EAWAG-EC103109
+RECORD_TITLE: Bartoloside I; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.6b00351
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1031
+CH$NAME: Bartoloside I
+CH$NAME: (2S,3R,4S,5R)-2-(2-(6-chlorododecyl)-5-(6,6-dichlorotridecyl)-3-hydroxyphenoxy)tetrahydro-2H-pyran-3,4,5-triol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C36H61Cl3O6
+CH$EXACT_MASS: 694.3533727
+CH$SMILES: CCCCCCCC(CCCCCC1=CC(=C(C(=C1)O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)CCCCCC(CCCCCC)Cl)O)(Cl)Cl
+CH$IUPAC: InChI=1S/C36H61Cl3O6/c1-3-5-7-9-16-22-36(38,39)23-17-11-12-18-27-24-30(40)29(21-15-10-14-20-28(37)19-13-8-6-4-2)32(25-27)45-35-34(43)33(42)31(41)26-44-35/h24-25,28,31,33-35,40-43H,3-23,26H2,1-2H3/t28?,31-,33+,34-,35+/m1/s1
+CH$LINK: PUBCHEM CID:132582914
+CH$LINK: INCHIKEY LWFZKXMCJDHBNJ-SLKDEOFASA-N
+CH$LINK: CHEMSPIDER 58197379
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-730
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 16.945 min
+MS$FOCUSED_ION: BASE_PEAK 563.3179
+MS$FOCUSED_ION: PRECURSOR_M/Z 695.3606
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0ab9-9100000000-745aeeb483c15e149f02
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  55.0179 C3H3O+ 1 55.0178 0.62
+  55.0542 C4H7+ 1 55.0542 -0.51
+  57.0334 C3H5O+ 1 57.0335 -0.99
+  61.0284 C2H5O2+ 1 61.0284 -0.22
+  67.0542 C5H7+ 1 67.0542 -0.65
+  69.0334 C4H5O+ 1 69.0335 -1.42
+  69.0698 C5H9+ 1 69.0699 -1.43
+  73.0283 C3H5O2+ 1 73.0284 -0.82
+  79.0542 C6H7+ 1 79.0542 -0.08
+  81.0699 C6H9+ 1 81.0699 -0.02
+  85.0285 C4H5O2+ 1 85.0284 0.56
+  93.07 C7H9+ 1 93.0699 1.28
+  95.0856 C7H11+ 1 95.0855 0.44
+  109.065 C7H9O+ 1 109.0648 2.01
+  123.0442 C7H7O2+ 1 123.0441 1.13
+  135.0446 C8H7O2+ 1 135.0441 4.14
+  137.0594 C8H9O2+ 1 137.0597 -2.07
+PK$NUM_PEAK: 17
+PK$PEAK: m/z int. rel.int.
+  55.0179 31434.5 60
+  55.0542 226166.5 435
+  57.0334 518875.7 999
+  61.0284 80948.5 155
+  67.0542 237796.5 457
+  69.0334 66181.9 127
+  69.0698 96946 186
+  73.0283 452990.6 872
+  79.0542 73983.6 142
+  81.0699 145479.8 280
+  85.0285 43911.3 84
+  93.07 27806.3 53
+  95.0856 47499.1 91
+  109.065 34876.6 67
+  123.0442 67590.8 130
+  135.0446 19860.6 38
+  137.0594 275305.7 530
+//
diff --git a/Eawag/MSBNK-EAWAG-EC107901.txt b/Eawag/MSBNK-EAWAG-EC107901.txt
new file mode 100644
index 0000000000..1ea06d31c7
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC107901.txt
@@ -0,0 +1,57 @@
+ACCESSION: MSBNK-EAWAG-EC107901
+RECORD_TITLE: Bartoloside K; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.6b00351
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1079
+CH$NAME: Bartoloside K
+CH$NAME: (2S,3R,4S,5R)-2-(2,5-bis(6-chlorododecyl)-3-hydroxyphenoxy)tetrahydro-2H-pyran-3,4,5-triol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C35H60Cl2O6
+CH$EXACT_MASS: 646.376695
+CH$SMILES: CCCCCCC(CCCCCC1=CC(=C(C(=C1)O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)CCCCCC(CCCCCC)Cl)O)Cl
+CH$IUPAC: InChI=1S/C35H60Cl2O6/c1-3-5-7-12-18-27(36)20-14-9-11-17-26-23-30(38)29(22-16-10-15-21-28(37)19-13-8-6-4-2)32(24-26)43-35-34(41)33(40)31(39)25-42-35/h23-24,27-28,31,33-35,38-41H,3-22,25H2,1-2H3/t27?,28?,31-,33+,34-,35+/m1/s1
+CH$LINK: PUBCHEM CID:132582913
+CH$LINK: INCHIKEY LJLORIMRLLORHA-LNSHLUEESA-N
+CH$LINK: CHEMSPIDER 58197381
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-681
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 16.497 min
+MS$FOCUSED_ION: BASE_PEAK 515.3411
+MS$FOCUSED_ION: PRECURSOR_M/Z 647.384
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-014i-0000092000-d82ca75bdb1ef426dd48
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  61.0286 C2H5O2+ 1 61.0284 2.97
+  73.0284 C3H5O2+ 1 73.0284 -0.41
+  115.0386 C5H7O3+ 1 115.039 -3.57
+  479.3648 C30H52ClO2+ 2 479.365 -0.51
+  515.3413 C30H53Cl2O2+ 1 515.3417 -0.74
+  575.3866 C35H56ClO4+ 2 575.3862 0.74
+  647.383 C35H61Cl2O6+ 1 647.384 -1.51
+PK$NUM_PEAK: 7
+PK$PEAK: m/z int. rel.int.
+  61.0286 26706.1 11
+  73.0284 192329.6 86
+  115.0386 73996.1 33
+  479.3648 123550.6 55
+  515.3413 2231152.5 999
+  575.3866 214144.2 95
+  647.383 776319.8 347
+//
diff --git a/Eawag/MSBNK-EAWAG-EC107902.txt b/Eawag/MSBNK-EAWAG-EC107902.txt
new file mode 100644
index 0000000000..16dc172491
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC107902.txt
@@ -0,0 +1,67 @@
+ACCESSION: MSBNK-EAWAG-EC107902
+RECORD_TITLE: Bartoloside K; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.6b00351
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1079
+CH$NAME: Bartoloside K
+CH$NAME: (2S,3R,4S,5R)-2-(2,5-bis(6-chlorododecyl)-3-hydroxyphenoxy)tetrahydro-2H-pyran-3,4,5-triol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C35H60Cl2O6
+CH$EXACT_MASS: 646.376695
+CH$SMILES: CCCCCCC(CCCCCC1=CC(=C(C(=C1)O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)CCCCCC(CCCCCC)Cl)O)Cl
+CH$IUPAC: InChI=1S/C35H60Cl2O6/c1-3-5-7-12-18-27(36)20-14-9-11-17-26-23-30(38)29(22-16-10-15-21-28(37)19-13-8-6-4-2)32(24-26)43-35-34(41)33(40)31(39)25-42-35/h23-24,27-28,31,33-35,38-41H,3-22,25H2,1-2H3/t27?,28?,31-,33+,34-,35+/m1/s1
+CH$LINK: PUBCHEM CID:132582913
+CH$LINK: INCHIKEY LJLORIMRLLORHA-LNSHLUEESA-N
+CH$LINK: CHEMSPIDER 58197381
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-681
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 16.497 min
+MS$FOCUSED_ION: BASE_PEAK 515.3411
+MS$FOCUSED_ION: PRECURSOR_M/Z 647.384
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-014i-3102290000-ceeb1972479b1d1627a0
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  57.0334 C3H5O+ 1 57.0335 -1.12
+  61.0285 C2H5O2+ 1 61.0284 2.1
+  73.0284 C3H5O2+ 1 73.0284 -0.72
+  97.0283 C5H5O2+ 1 97.0284 -1.31
+  115.0388 C5H7O3+ 1 115.039 -1.38
+  133.0493 C5H9O4+ 1 133.0495 -1.48
+  233.0806 C13H13O4+ 1 233.0808 -0.84
+  325.1906 C13H35Cl2O4+ 1 325.1907 -0.16
+  349.1919 C21H30ClO2+ 2 349.1929 -2.92
+  385.2377 C24H33O4+ 1 385.2373 0.88
+  479.3645 C30H52ClO2+ 2 479.365 -1.15
+  515.3411 C30H53Cl2O2+ 1 515.3417 -1.21
+PK$NUM_PEAK: 12
+PK$PEAK: m/z int. rel.int.
+  57.0334 137692.3 80
+  61.0285 81454.7 47
+  73.0284 489489.5 286
+  97.0283 25901.9 15
+  115.0388 140632.5 82
+  133.0493 51649.2 30
+  233.0806 50104.1 29
+  325.1906 157368.3 92
+  349.1919 62440.4 36
+  385.2377 160885.3 94
+  479.3645 471292.8 276
+  515.3411 1704878.6 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC107903.txt b/Eawag/MSBNK-EAWAG-EC107903.txt
new file mode 100644
index 0000000000..cb8809a8db
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC107903.txt
@@ -0,0 +1,87 @@
+ACCESSION: MSBNK-EAWAG-EC107903
+RECORD_TITLE: Bartoloside K; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.6b00351
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1079
+CH$NAME: Bartoloside K
+CH$NAME: (2S,3R,4S,5R)-2-(2,5-bis(6-chlorododecyl)-3-hydroxyphenoxy)tetrahydro-2H-pyran-3,4,5-triol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C35H60Cl2O6
+CH$EXACT_MASS: 646.376695
+CH$SMILES: CCCCCCC(CCCCCC1=CC(=C(C(=C1)O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)CCCCCC(CCCCCC)Cl)O)Cl
+CH$IUPAC: InChI=1S/C35H60Cl2O6/c1-3-5-7-12-18-27(36)20-14-9-11-17-26-23-30(38)29(22-16-10-15-21-28(37)19-13-8-6-4-2)32(24-26)43-35-34(41)33(40)31(39)25-42-35/h23-24,27-28,31,33-35,38-41H,3-22,25H2,1-2H3/t27?,28?,31-,33+,34-,35+/m1/s1
+CH$LINK: PUBCHEM CID:132582913
+CH$LINK: INCHIKEY LJLORIMRLLORHA-LNSHLUEESA-N
+CH$LINK: CHEMSPIDER 58197381
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-681
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 16.497 min
+MS$FOCUSED_ION: BASE_PEAK 515.3411
+MS$FOCUSED_ION: PRECURSOR_M/Z 647.384
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00vr-9134640000-1de4080f51b303eda3a8
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  57.0334 C3H5O+ 1 57.0335 -0.92
+  61.0284 C2H5O2+ 1 61.0284 -0.59
+  69.0334 C4H5O+ 1 69.0335 -1.31
+  73.0283 C3H5O2+ 1 73.0284 -0.93
+  85.0284 C4H5O2+ 1 85.0284 0.29
+  97.0285 C5H5O2+ 1 97.0284 1.13
+  115.0388 C5H7O3+ 1 115.039 -1.31
+  137.0599 C8H9O2+ 1 137.0597 1.27
+  161.0594 C10H9O2+ 1 161.0597 -2.16
+  233.0803 C13H13O4+ 1 233.0808 -2.41
+  267.0409 C13H12ClO4+ 2 267.0419 -3.72
+  273.1112 C16H17O4+ 2 273.1121 -3.4
+  289.2153 C13H34ClO4+ 2 289.214 4.5
+  313.2156 C21H29O2+ 1 313.2162 -1.95
+  325.1909 C13H35Cl2O4+ 1 325.1907 0.59
+  349.1931 C21H30ClO2+ 1 349.1929 0.76
+  385.2368 C24H33O4+ 2 385.2373 -1.5
+  421.212 C24H34ClO4+ 2 421.214 -4.82
+  443.3873 C30H51O2+ 2 443.3884 -2.36
+  479.3644 C30H52ClO2+ 2 479.365 -1.28
+  503.3657 C32H52ClO2+ 1 503.365 1.26
+  515.3408 C30H53Cl2O2+ 1 515.3417 -1.69
+PK$NUM_PEAK: 22
+PK$PEAK: m/z int. rel.int.
+  57.0334 257555.5 341
+  61.0284 100118.1 132
+  69.0334 21963.8 29
+  73.0283 754218.1 999
+  85.0284 31871.1 42
+  97.0285 45072.6 59
+  115.0388 162901 215
+  137.0599 45656.5 60
+  161.0594 40456 53
+  233.0803 81032.2 107
+  267.0409 49530.1 65
+  273.1112 55563.9 73
+  289.2153 302677.6 400
+  313.2156 56898.8 75
+  325.1909 297403.9 393
+  349.1931 49932 66
+  385.2368 137662.3 182
+  421.212 35425.4 46
+  443.3873 227071.7 300
+  479.3644 574983.6 761
+  503.3657 50605.2 67
+  515.3408 608034.7 805
+//
diff --git a/Eawag/MSBNK-EAWAG-EC107904.txt b/Eawag/MSBNK-EAWAG-EC107904.txt
new file mode 100644
index 0000000000..8b58189baa
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC107904.txt
@@ -0,0 +1,81 @@
+ACCESSION: MSBNK-EAWAG-EC107904
+RECORD_TITLE: Bartoloside K; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.6b00351
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1079
+CH$NAME: Bartoloside K
+CH$NAME: (2S,3R,4S,5R)-2-(2,5-bis(6-chlorododecyl)-3-hydroxyphenoxy)tetrahydro-2H-pyran-3,4,5-triol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C35H60Cl2O6
+CH$EXACT_MASS: 646.376695
+CH$SMILES: CCCCCCC(CCCCCC1=CC(=C(C(=C1)O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)CCCCCC(CCCCCC)Cl)O)Cl
+CH$IUPAC: InChI=1S/C35H60Cl2O6/c1-3-5-7-12-18-27(36)20-14-9-11-17-26-23-30(38)29(22-16-10-15-21-28(37)19-13-8-6-4-2)32(24-26)43-35-34(41)33(40)31(39)25-42-35/h23-24,27-28,31,33-35,38-41H,3-22,25H2,1-2H3/t27?,28?,31-,33+,34-,35+/m1/s1
+CH$LINK: PUBCHEM CID:132582913
+CH$LINK: INCHIKEY LJLORIMRLLORHA-LNSHLUEESA-N
+CH$LINK: CHEMSPIDER 58197381
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-681
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 16.497 min
+MS$FOCUSED_ION: BASE_PEAK 515.3411
+MS$FOCUSED_ION: PRECURSOR_M/Z 647.384
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00g0-9331300000-2865b2f25e52e83ddcc1
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  45.0335 C2H5O+ 1 45.0335 -0.47
+  57.0335 C3H5O+ 1 57.0335 -0.72
+  61.0284 C2H5O2+ 1 61.0284 -0.22
+  69.0336 C4H5O+ 1 69.0335 0.9
+  73.0284 C3H5O2+ 1 73.0284 -0.51
+  83.0857 C6H11+ 1 83.0855 2.51
+  85.0284 C4H5O2+ 1 85.0284 0.47
+  97.0287 C5H5O2+ 1 97.0284 2.78
+  115.0391 C5H7O3+ 1 115.039 1.14
+  137.0595 C8H9O2+ 1 137.0597 -1.51
+  177.0908 C11H13O2+ 1 177.091 -1.06
+  191.1065 C12H15O2+ 1 191.1067 -1
+  267.0412 C13H12ClO4+ 1 267.0419 -2.46
+  273.1114 C16H17O4+ 1 273.1121 -2.62
+  289.2153 C13H34ClO4+ 2 289.214 4.61
+  313.2159 C21H29O2+ 1 313.2162 -0.88
+  325.1915 C13H35Cl2O4+ 2 325.1907 2.56
+  443.388 C30H51O2+ 2 443.3884 -0.71
+  479.3649 C30H52ClO2+ 2 479.365 -0.2
+PK$NUM_PEAK: 19
+PK$PEAK: m/z int. rel.int.
+  45.0335 42666.2 48
+  57.0335 362702.1 416
+  61.0284 96748.3 111
+  69.0336 31586.5 36
+  73.0284 870279 999
+  83.0857 16170.1 18
+  85.0284 34194 39
+  97.0287 48972.8 56
+  115.0391 108053.2 124
+  137.0595 249803.5 286
+  177.0908 190622.1 218
+  191.1065 41763.5 47
+  267.0412 47351.1 54
+  273.1114 55365.2 63
+  289.2153 542108.4 622
+  313.2159 64530.7 74
+  325.1915 216337 248
+  443.388 253098.2 290
+  479.3649 270301.8 310
+//
diff --git a/Eawag/MSBNK-EAWAG-EC107905.txt b/Eawag/MSBNK-EAWAG-EC107905.txt
new file mode 100644
index 0000000000..1e37e28b95
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC107905.txt
@@ -0,0 +1,99 @@
+ACCESSION: MSBNK-EAWAG-EC107905
+RECORD_TITLE: Bartoloside K; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.6b00351
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1079
+CH$NAME: Bartoloside K
+CH$NAME: (2S,3R,4S,5R)-2-(2,5-bis(6-chlorododecyl)-3-hydroxyphenoxy)tetrahydro-2H-pyran-3,4,5-triol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C35H60Cl2O6
+CH$EXACT_MASS: 646.376695
+CH$SMILES: CCCCCCC(CCCCCC1=CC(=C(C(=C1)O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)CCCCCC(CCCCCC)Cl)O)Cl
+CH$IUPAC: InChI=1S/C35H60Cl2O6/c1-3-5-7-12-18-27(36)20-14-9-11-17-26-23-30(38)29(22-16-10-15-21-28(37)19-13-8-6-4-2)32(24-26)43-35-34(41)33(40)31(39)25-42-35/h23-24,27-28,31,33-35,38-41H,3-22,25H2,1-2H3/t27?,28?,31-,33+,34-,35+/m1/s1
+CH$LINK: PUBCHEM CID:132582913
+CH$LINK: INCHIKEY LJLORIMRLLORHA-LNSHLUEESA-N
+CH$LINK: CHEMSPIDER 58197381
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-681
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 16.497 min
+MS$FOCUSED_ION: BASE_PEAK 515.3411
+MS$FOCUSED_ION: PRECURSOR_M/Z 647.384
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00dr-9800000000-4a64610cd246f0cc4e00
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  45.0334 C2H5O+ 1 45.0335 -2
+  55.0542 C4H7+ 1 55.0542 0.12
+  57.0335 C3H5O+ 1 57.0335 -0.52
+  61.0284 C2H5O2+ 1 61.0284 -0.34
+  69.0334 C4H5O+ 1 69.0335 -1.2
+  69.0699 C5H9+ 1 69.0699 0.67
+  73.0284 C3H5O2+ 1 73.0284 -0.2
+  81.0697 C6H9+ 1 81.0699 -2.28
+  83.0855 C6H11+ 1 83.0855 -0.8
+  85.0286 C4H5O2+ 1 85.0284 2.09
+  95.0855 C7H11+ 1 95.0855 -0.12
+  97.0285 C5H5O2+ 1 97.0284 0.74
+  109.1009 C8H13+ 1 109.1012 -2.27
+  115.0389 C5H7O3+ 1 115.039 -0.71
+  123.044 C7H7O2+ 1 123.0441 -0.48
+  137.0596 C8H9O2+ 1 137.0597 -0.84
+  151.0753 C9H11O2+ 1 151.0754 -0.27
+  161.0596 C10H9O2+ 1 161.0597 -0.74
+  163.0753 C10H11O2+ 1 163.0754 -0.44
+  171.0201 C8H8ClO2+ 1 171.0207 -3.96
+  175.0754 C11H11O2+ 1 175.0754 0.16
+  177.0908 C11H13O2+ 1 177.091 -1.4
+  187.0755 C12H11O2+ 1 187.0754 0.83
+  191.1066 C12H15O2+ 1 191.1067 -0.28
+  195.0206 C10H8ClO2+ 1 195.0207 -0.46
+  201.0908 C13H13O2+ 1 201.091 -0.86
+  233.0805 C13H13O4+ 1 233.0808 -1.3
+  267.042 C13H12ClO4+ 1 267.0419 0.4
+PK$NUM_PEAK: 28
+PK$PEAK: m/z int. rel.int.
+  45.0334 76951 76
+  55.0542 72051.1 71
+  57.0335 489935.9 485
+  61.0284 113070 111
+  69.0334 64825.6 64
+  69.0699 100617.9 99
+  73.0284 1008824.2 999
+  81.0697 17631.4 17
+  83.0855 53670.2 53
+  85.0286 44988.4 44
+  95.0855 26303.6 26
+  97.0285 51918.3 51
+  109.1009 23508 23
+  115.0389 43461.6 43
+  123.044 60579.8 59
+  137.0596 738636.8 731
+  151.0753 45784.8 45
+  161.0596 144662 143
+  163.0753 237991.3 235
+  171.0201 110673.2 109
+  175.0754 26638.6 26
+  177.0908 359395.5 355
+  187.0755 33221 32
+  191.1066 80516.9 79
+  195.0206 88533 87
+  201.0908 43756.8 43
+  233.0805 142931.1 141
+  267.042 40898.7 40
+//
diff --git a/Eawag/MSBNK-EAWAG-EC107906.txt b/Eawag/MSBNK-EAWAG-EC107906.txt
new file mode 100644
index 0000000000..8316ef4dea
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC107906.txt
@@ -0,0 +1,89 @@
+ACCESSION: MSBNK-EAWAG-EC107906
+RECORD_TITLE: Bartoloside K; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.6b00351
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1079
+CH$NAME: Bartoloside K
+CH$NAME: (2S,3R,4S,5R)-2-(2,5-bis(6-chlorododecyl)-3-hydroxyphenoxy)tetrahydro-2H-pyran-3,4,5-triol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C35H60Cl2O6
+CH$EXACT_MASS: 646.376695
+CH$SMILES: CCCCCCC(CCCCCC1=CC(=C(C(=C1)O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)CCCCCC(CCCCCC)Cl)O)Cl
+CH$IUPAC: InChI=1S/C35H60Cl2O6/c1-3-5-7-12-18-27(36)20-14-9-11-17-26-23-30(38)29(22-16-10-15-21-28(37)19-13-8-6-4-2)32(24-26)43-35-34(41)33(40)31(39)25-42-35/h23-24,27-28,31,33-35,38-41H,3-22,25H2,1-2H3/t27?,28?,31-,33+,34-,35+/m1/s1
+CH$LINK: PUBCHEM CID:132582913
+CH$LINK: INCHIKEY LJLORIMRLLORHA-LNSHLUEESA-N
+CH$LINK: CHEMSPIDER 58197381
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-681
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 16.497 min
+MS$FOCUSED_ION: BASE_PEAK 515.3411
+MS$FOCUSED_ION: PRECURSOR_M/Z 647.384
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-074r-9500000000-9d216af77bf5208f1fde
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  45.0334 C2H5O+ 1 45.0335 -0.98
+  55.0542 C4H7+ 1 55.0542 -0.44
+  57.0335 C3H5O+ 1 57.0335 -0.32
+  57.0701 C4H9+ 1 57.0699 3.41
+  59.0492 C3H7O+ 1 59.0491 0.88
+  61.0284 C2H5O2+ 1 61.0284 -0.09
+  69.0335 C4H5O+ 1 69.0335 -0.53
+  69.0699 C5H9+ 1 69.0699 -0.32
+  73.0284 C3H5O2+ 1 73.0284 -0.09
+  81.0701 C6H9+ 1 81.0699 2.8
+  83.0853 C6H11+ 1 83.0855 -2.45
+  85.0284 C4H5O2+ 1 85.0284 -0.07
+  97.0285 C5H5O2+ 1 97.0284 1.13
+  123.044 C7H7O2+ 1 123.0441 -0.11
+  137.0596 C8H9O2+ 1 137.0597 -0.84
+  149.0597 C9H9O2+ 1 149.0597 0.01
+  161.0596 C10H9O2+ 1 161.0597 -0.93
+  163.0753 C10H11O2+ 1 163.0754 -0.07
+  171.0204 C8H8ClO2+ 1 171.0207 -1.72
+  175.0756 C11H11O2+ 1 175.0754 1.12
+  177.0907 C11H13O2+ 1 177.091 -1.75
+  191.1067 C12H15O2+ 1 191.1067 0.2
+  233.0798 C13H13O4+ 1 233.0808 -4.31
+PK$NUM_PEAK: 23
+PK$PEAK: m/z int. rel.int.
+  45.0334 78329.8 86
+  55.0542 175753.1 194
+  57.0335 529516.4 586
+  57.0701 32490.6 36
+  59.0492 16795.3 18
+  61.0284 136000.5 150
+  69.0335 73219.1 81
+  69.0699 196349 217
+  73.0284 901397.8 999
+  81.0701 39060.9 43
+  83.0853 71681.1 79
+  85.0284 60919.2 67
+  97.0285 28324 31
+  123.044 85695.2 94
+  137.0596 635326.4 704
+  149.0597 27695.9 30
+  161.0596 126775.2 140
+  163.0753 191258.3 211
+  171.0204 56401.5 62
+  175.0756 38959.9 43
+  177.0907 238261.4 264
+  191.1067 57883 64
+  233.0798 93094.6 103
+//
diff --git a/Eawag/MSBNK-EAWAG-EC107907.txt b/Eawag/MSBNK-EAWAG-EC107907.txt
new file mode 100644
index 0000000000..3f20e85d57
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC107907.txt
@@ -0,0 +1,93 @@
+ACCESSION: MSBNK-EAWAG-EC107907
+RECORD_TITLE: Bartoloside K; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.6b00351
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1079
+CH$NAME: Bartoloside K
+CH$NAME: (2S,3R,4S,5R)-2-(2,5-bis(6-chlorododecyl)-3-hydroxyphenoxy)tetrahydro-2H-pyran-3,4,5-triol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C35H60Cl2O6
+CH$EXACT_MASS: 646.376695
+CH$SMILES: CCCCCCC(CCCCCC1=CC(=C(C(=C1)O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)CCCCCC(CCCCCC)Cl)O)Cl
+CH$IUPAC: InChI=1S/C35H60Cl2O6/c1-3-5-7-12-18-27(36)20-14-9-11-17-26-23-30(38)29(22-16-10-15-21-28(37)19-13-8-6-4-2)32(24-26)43-35-34(41)33(40)31(39)25-42-35/h23-24,27-28,31,33-35,38-41H,3-22,25H2,1-2H3/t27?,28?,31-,33+,34-,35+/m1/s1
+CH$LINK: PUBCHEM CID:132582913
+CH$LINK: INCHIKEY LJLORIMRLLORHA-LNSHLUEESA-N
+CH$LINK: CHEMSPIDER 58197381
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-681
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 16.497 min
+MS$FOCUSED_ION: BASE_PEAK 515.3411
+MS$FOCUSED_ION: PRECURSOR_M/Z 647.384
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-05g0-9500000000-f8790e656231df86cc6e
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  45.0335 C2H5O+ 1 45.0335 -0.73
+  55.0542 C4H7+ 1 55.0542 -0.78
+  57.0334 C3H5O+ 1 57.0335 -1.05
+  57.0699 C4H9+ 1 57.0699 0.67
+  59.0491 C3H7O+ 1 59.0491 0.04
+  61.0283 C2H5O2+ 1 61.0284 -0.97
+  69.0335 C4H5O+ 1 69.0335 -0.53
+  69.0699 C5H9+ 1 69.0699 -0.21
+  73.0283 C3H5O2+ 1 73.0284 -0.93
+  83.0855 C6H11+ 1 83.0855 -0.61
+  85.0283 C4H5O2+ 1 85.0284 -0.97
+  95.0856 C7H11+ 1 95.0855 0.44
+  97.0284 C5H5O2+ 1 97.0284 -0.13
+  97.1011 C7H13+ 1 97.1012 -0.3
+  123.0438 C7H7O2+ 1 123.0441 -2.34
+  135.0436 C8H7O2+ 1 135.0441 -3.55
+  137.0595 C8H9O2+ 1 137.0597 -1.73
+  149.0595 C9H9O2+ 1 149.0597 -1.12
+  161.0594 C10H9O2+ 1 161.0597 -1.79
+  163.0754 C10H11O2+ 1 163.0754 0.5
+  171.0203 C8H8ClO2+ 1 171.0207 -2.53
+  175.0751 C11H11O2+ 1 175.0754 -1.67
+  177.0906 C11H13O2+ 1 177.091 -2.27
+  187.0755 C12H11O2+ 1 187.0754 0.91
+  191.1063 C12H15O2+ 1 191.1067 -1.72
+PK$NUM_PEAK: 25
+PK$PEAK: m/z int. rel.int.
+  45.0335 142787.5 158
+  55.0542 326520.6 363
+  57.0334 598780 666
+  57.0699 43876.8 48
+  59.0491 39093.3 43
+  61.0283 111775 124
+  69.0335 83412.6 92
+  69.0699 254186.3 282
+  73.0283 897881.6 999
+  83.0855 55932.6 62
+  85.0283 69260.2 77
+  95.0856 35081.2 39
+  97.0284 27267.8 30
+  97.1011 24657.7 27
+  123.0438 133626.9 148
+  135.0436 99325 110
+  137.0595 713978.9 794
+  149.0595 64218 71
+  161.0594 151091.6 168
+  163.0754 163357.1 181
+  171.0203 72408.6 80
+  175.0751 65343.1 72
+  177.0906 163081.3 181
+  187.0755 35537.4 39
+  191.1063 24041.5 26
+//
diff --git a/Eawag/MSBNK-EAWAG-EC107908.txt b/Eawag/MSBNK-EAWAG-EC107908.txt
new file mode 100644
index 0000000000..ecf1aa70cd
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC107908.txt
@@ -0,0 +1,93 @@
+ACCESSION: MSBNK-EAWAG-EC107908
+RECORD_TITLE: Bartoloside K; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.6b00351
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1079
+CH$NAME: Bartoloside K
+CH$NAME: (2S,3R,4S,5R)-2-(2,5-bis(6-chlorododecyl)-3-hydroxyphenoxy)tetrahydro-2H-pyran-3,4,5-triol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C35H60Cl2O6
+CH$EXACT_MASS: 646.376695
+CH$SMILES: CCCCCCC(CCCCCC1=CC(=C(C(=C1)O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)CCCCCC(CCCCCC)Cl)O)Cl
+CH$IUPAC: InChI=1S/C35H60Cl2O6/c1-3-5-7-12-18-27(36)20-14-9-11-17-26-23-30(38)29(22-16-10-15-21-28(37)19-13-8-6-4-2)32(24-26)43-35-34(41)33(40)31(39)25-42-35/h23-24,27-28,31,33-35,38-41H,3-22,25H2,1-2H3/t27?,28?,31-,33+,34-,35+/m1/s1
+CH$LINK: PUBCHEM CID:132582913
+CH$LINK: INCHIKEY LJLORIMRLLORHA-LNSHLUEESA-N
+CH$LINK: CHEMSPIDER 58197381
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-681
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 16.497 min
+MS$FOCUSED_ION: BASE_PEAK 515.3411
+MS$FOCUSED_ION: PRECURSOR_M/Z 647.384
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0abi-9300000000-45197d727e23c09987f7
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  45.0334 C2H5O+ 1 45.0335 -1.57
+  55.0542 C4H7+ 1 55.0542 -0.58
+  57.0335 C3H5O+ 1 57.0335 -0.38
+  57.0699 C4H9+ 1 57.0699 1.01
+  61.0284 C2H5O2+ 1 61.0284 0.16
+  69.0335 C4H5O+ 1 69.0335 -0.09
+  69.0699 C5H9+ 1 69.0699 0.01
+  73.0284 C3H5O2+ 1 73.0284 -0.2
+  79.0543 C6H7+ 1 79.0542 1.17
+  81.0701 C6H9+ 1 81.0699 3.18
+  83.0856 C6H11+ 1 83.0855 1.32
+  85.0286 C4H5O2+ 1 85.0284 2.09
+  91.0542 C7H7+ 1 91.0542 0.14
+  121.0649 C8H9O+ 1 121.0648 1.12
+  123.0438 C7H7O2+ 1 123.0441 -1.78
+  135.0443 C8H7O2+ 1 135.0441 1.88
+  137.0595 C8H9O2+ 1 137.0597 -1.29
+  147.0435 C9H7O2+ 1 147.0441 -3.66
+  149.0598 C9H9O2+ 1 149.0597 0.72
+  151.0755 C9H11O2+ 1 151.0754 0.74
+  163.075 C10H11O2+ 1 163.0754 -2.22
+  171.021 C8H8ClO2+ 1 171.0207 1.31
+  175.0756 C11H11O2+ 1 175.0754 1.47
+  187.0753 C12H11O2+ 1 187.0754 -0.23
+  195.0203 C10H8ClO2+ 1 195.0207 -2.41
+PK$NUM_PEAK: 25
+PK$PEAK: m/z int. rel.int.
+  45.0334 175966.6 282
+  55.0542 395305.4 633
+  57.0335 577970.6 926
+  57.0699 35054.8 56
+  61.0284 90238.9 144
+  69.0335 71721 114
+  69.0699 186069.3 298
+  73.0284 623227.8 999
+  79.0543 20606.7 33
+  81.0701 45332.7 72
+  83.0856 35045 56
+  85.0286 50776.3 81
+  91.0542 25319.1 40
+  121.0649 23271.4 37
+  123.0438 83019.4 133
+  135.0443 63599.3 101
+  137.0595 491641.4 788
+  147.0435 19804 31
+  149.0598 45690.5 73
+  151.0755 34554.8 55
+  163.075 98475.6 157
+  171.021 38567.3 61
+  175.0756 39426.7 63
+  187.0753 28854.9 46
+  195.0203 19441.3 31
+//
diff --git a/Eawag/MSBNK-EAWAG-EC107909.txt b/Eawag/MSBNK-EAWAG-EC107909.txt
new file mode 100644
index 0000000000..098e2bc127
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC107909.txt
@@ -0,0 +1,93 @@
+ACCESSION: MSBNK-EAWAG-EC107909
+RECORD_TITLE: Bartoloside K; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.6b00351
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1079
+CH$NAME: Bartoloside K
+CH$NAME: (2S,3R,4S,5R)-2-(2,5-bis(6-chlorododecyl)-3-hydroxyphenoxy)tetrahydro-2H-pyran-3,4,5-triol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C35H60Cl2O6
+CH$EXACT_MASS: 646.376695
+CH$SMILES: CCCCCCC(CCCCCC1=CC(=C(C(=C1)O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)CCCCCC(CCCCCC)Cl)O)Cl
+CH$IUPAC: InChI=1S/C35H60Cl2O6/c1-3-5-7-12-18-27(36)20-14-9-11-17-26-23-30(38)29(22-16-10-15-21-28(37)19-13-8-6-4-2)32(24-26)43-35-34(41)33(40)31(39)25-42-35/h23-24,27-28,31,33-35,38-41H,3-22,25H2,1-2H3/t27?,28?,31-,33+,34-,35+/m1/s1
+CH$LINK: PUBCHEM CID:132582913
+CH$LINK: INCHIKEY LJLORIMRLLORHA-LNSHLUEESA-N
+CH$LINK: CHEMSPIDER 58197381
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-681
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 16.497 min
+MS$FOCUSED_ION: BASE_PEAK 515.3411
+MS$FOCUSED_ION: PRECURSOR_M/Z 647.384
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0ab9-9300000000-a43a966172a4b19f4711
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  45.0335 C2H5O+ 1 45.0335 -0.56
+  55.0179 C3H3O+ 1 55.0178 1.66
+  55.0542 C4H7+ 1 55.0542 -0.23
+  57.0335 C3H5O+ 1 57.0335 -0.38
+  61.0285 C2H5O2+ 1 61.0284 1.22
+  67.0543 C5H7+ 1 67.0542 1.28
+  69.0336 C4H5O+ 1 69.0335 0.9
+  69.0699 C5H9+ 1 69.0699 -0.32
+  71.0125 C3H3O2+ 1 71.0128 -3.35
+  73.0284 C3H5O2+ 1 73.0284 -0.09
+  79.0544 C6H7+ 1 79.0542 2.33
+  81.0699 C6H9+ 1 81.0699 0.07
+  83.0125 C4H3O2+ 1 83.0128 -3.17
+  85.0284 C4H5O2+ 1 85.0284 -0.25
+  91.0543 C7H7+ 1 91.0542 0.31
+  105.0698 C8H9+ 1 105.0699 -1.01
+  109.065 C7H9O+ 1 109.0648 1.87
+  121.0651 C8H9O+ 1 121.0648 2.82
+  123.0438 C7H7O2+ 1 123.0441 -2.03
+  135.0442 C8H7O2+ 1 135.0441 0.86
+  137.0596 C8H9O2+ 1 137.0597 -0.96
+  149.0594 C9H9O2+ 1 149.0597 -2.35
+  161.0597 C10H9O2+ 1 161.0597 0.11
+  174.0673 C11H10O2+ 1 174.0675 -1.14
+  175.0753 C11H11O2+ 1 175.0754 -0.1
+PK$NUM_PEAK: 25
+PK$PEAK: m/z int. rel.int.
+  45.0335 53120.1 110
+  55.0179 31904.2 66
+  55.0542 324572.3 674
+  57.0335 480731.4 999
+  61.0285 76352.2 158
+  67.0543 56749.4 117
+  69.0336 55166.3 114
+  69.0699 138839 288
+  71.0125 25540.4 53
+  73.0284 358297.9 744
+  79.0544 39384.4 81
+  81.0699 43059.8 89
+  83.0125 26372.1 54
+  85.0284 31586.5 65
+  91.0543 47421.9 98
+  105.0698 26003.5 54
+  109.065 30541.1 63
+  121.0651 14361.1 29
+  123.0438 68870.4 143
+  135.0442 49059.3 101
+  137.0596 280853.3 583
+  149.0594 22022.4 45
+  161.0597 61393.2 127
+  174.0673 33731.6 70
+  175.0753 30217.4 62
+//
diff --git a/Eawag/MSBNK-EAWAG-EC111701.txt b/Eawag/MSBNK-EAWAG-EC111701.txt
new file mode 100644
index 0000000000..39391a3f53
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC111701.txt
@@ -0,0 +1,57 @@
+ACCESSION: MSBNK-EAWAG-EC111701
+RECORD_TITLE: Bartoloside J; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.6b00351
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1117
+CH$NAME: Bartoloside J
+CH$NAME: (2S,3R,4S,5R)-2-(2-(6-chlorododecyl)-3-hydroxy-5-undecylphenoxy)tetrahydro-2H-pyran-3,4,5-triol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C34H59ClO6
+CH$EXACT_MASS: 598.4000173
+CH$SMILES: CCCCCCCCCCCC1=CC(=C(C(=C1)O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)CCCCCC(CCCCCC)Cl)O
+CH$IUPAC: InChI=1S/C34H59ClO6/c1-3-5-7-9-10-11-12-13-15-19-26-23-29(36)28(22-18-14-17-21-27(35)20-16-8-6-4-2)31(24-26)41-34-33(39)32(38)30(37)25-40-34/h23-24,27,30,32-34,36-39H,3-22,25H2,1-2H3/t27?,30-,32+,33-,34+/m1/s1
+CH$LINK: PUBCHEM CID:132582915
+CH$LINK: INCHIKEY OTVIJJKBILNRLT-WPQQXQCVSA-N
+CH$LINK: CHEMSPIDER 58197380
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-632
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 16.657 min
+MS$FOCUSED_ION: BASE_PEAK 467.364
+MS$FOCUSED_ION: PRECURSOR_M/Z 599.4073
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-014i-0000920000-809f7d42b26f78b8e19a
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  115.0387 C5H7O3+ 1 115.039 -2.31
+  373.2366 C17H38ClO6+ 2 373.2351 3.82
+  431.3874 C29H51O2+ 2 431.3884 -2.3
+  467.3643 C29H52ClO2+ 1 467.365 -1.6
+  491.3633 C31H52ClO2+ 1 491.365 -3.45
+  563.3852 C34H56ClO4+ 1 563.3862 -1.63
+  599.4048 C34H60ClO6+ 1 599.4073 -4.17
+PK$NUM_PEAK: 7
+PK$PEAK: m/z int. rel.int.
+  115.0387 81424.6 37
+  373.2366 150577.8 69
+  431.3874 61489.8 28
+  467.3643 2176469 999
+  491.3633 166274.1 76
+  563.3852 274839.7 126
+  599.4048 484013.9 222
+//
diff --git a/Eawag/MSBNK-EAWAG-EC111702.txt b/Eawag/MSBNK-EAWAG-EC111702.txt
new file mode 100644
index 0000000000..2393fab80b
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC111702.txt
@@ -0,0 +1,69 @@
+ACCESSION: MSBNK-EAWAG-EC111702
+RECORD_TITLE: Bartoloside J; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.6b00351
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1117
+CH$NAME: Bartoloside J
+CH$NAME: (2S,3R,4S,5R)-2-(2-(6-chlorododecyl)-3-hydroxy-5-undecylphenoxy)tetrahydro-2H-pyran-3,4,5-triol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C34H59ClO6
+CH$EXACT_MASS: 598.4000173
+CH$SMILES: CCCCCCCCCCCC1=CC(=C(C(=C1)O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)CCCCCC(CCCCCC)Cl)O
+CH$IUPAC: InChI=1S/C34H59ClO6/c1-3-5-7-9-10-11-12-13-15-19-26-23-29(36)28(22-18-14-17-21-27(35)20-16-8-6-4-2)31(24-26)41-34-33(39)32(38)30(37)25-40-34/h23-24,27,30,32-34,36-39H,3-22,25H2,1-2H3/t27?,30-,32+,33-,34+/m1/s1
+CH$LINK: PUBCHEM CID:132582915
+CH$LINK: INCHIKEY OTVIJJKBILNRLT-WPQQXQCVSA-N
+CH$LINK: CHEMSPIDER 58197380
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-632
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 16.657 min
+MS$FOCUSED_ION: BASE_PEAK 467.364
+MS$FOCUSED_ION: PRECURSOR_M/Z 599.4073
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-014i-2011900000-4dcf7f8d6380173ae966
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  57.0334 C3H5O+ 1 57.0335 -0.85
+  61.0283 C2H5O2+ 1 61.0284 -2.28
+  73.0283 C3H5O2+ 1 73.0284 -1.45
+  115.0387 C5H7O3+ 1 115.039 -2.5
+  133.0492 C5H9O4+ 1 133.0495 -2.4
+  233.0801 C13H13O4+ 1 233.0808 -3.07
+  277.215 C18H29O2+ 2 277.2162 -4.27
+  301.2152 C14H34ClO4+ 2 301.214 3.85
+  373.2366 C17H38ClO6+ 2 373.2351 3.99
+  431.3876 C29H51O2+ 2 431.3884 -1.87
+  455.3875 C31H51O2+ 2 455.3884 -1.81
+  467.3643 C29H52ClO2+ 1 467.365 -1.53
+  491.3635 C31H52ClO2+ 1 491.365 -3.08
+PK$NUM_PEAK: 13
+PK$PEAK: m/z int. rel.int.
+  57.0334 127174.4 75
+  61.0283 58162.4 34
+  73.0283 413996.2 244
+  115.0387 108273.3 63
+  133.0492 25183.1 14
+  233.0801 42397.6 25
+  277.215 357741.4 211
+  301.2152 73502.7 43
+  373.2366 249310.4 147
+  431.3876 288056.6 170
+  455.3875 20398.2 12
+  467.3643 1691857.1 999
+  491.3635 93807.5 55
+//
diff --git a/Eawag/MSBNK-EAWAG-EC111703.txt b/Eawag/MSBNK-EAWAG-EC111703.txt
new file mode 100644
index 0000000000..182b9783f5
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC111703.txt
@@ -0,0 +1,71 @@
+ACCESSION: MSBNK-EAWAG-EC111703
+RECORD_TITLE: Bartoloside J; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.6b00351
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1117
+CH$NAME: Bartoloside J
+CH$NAME: (2S,3R,4S,5R)-2-(2-(6-chlorododecyl)-3-hydroxy-5-undecylphenoxy)tetrahydro-2H-pyran-3,4,5-triol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C34H59ClO6
+CH$EXACT_MASS: 598.4000173
+CH$SMILES: CCCCCCCCCCCC1=CC(=C(C(=C1)O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)CCCCCC(CCCCCC)Cl)O
+CH$IUPAC: InChI=1S/C34H59ClO6/c1-3-5-7-9-10-11-12-13-15-19-26-23-29(36)28(22-18-14-17-21-27(35)20-16-8-6-4-2)31(24-26)41-34-33(39)32(38)30(37)25-40-34/h23-24,27,30,32-34,36-39H,3-22,25H2,1-2H3/t27?,30-,32+,33-,34+/m1/s1
+CH$LINK: PUBCHEM CID:132582915
+CH$LINK: INCHIKEY OTVIJJKBILNRLT-WPQQXQCVSA-N
+CH$LINK: CHEMSPIDER 58197380
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-632
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 16.657 min
+MS$FOCUSED_ION: BASE_PEAK 467.364
+MS$FOCUSED_ION: PRECURSOR_M/Z 599.4073
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00vi-7282900000-5d929c28940a00af459b
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  45.0335 C2H5O+ 1 45.0335 1.22
+  57.0334 C3H5O+ 1 57.0335 -1.19
+  61.0284 C2H5O2+ 1 61.0284 -0.53
+  73.0283 C3H5O2+ 1 73.0284 -1.14
+  97.0287 C5H5O2+ 1 97.0284 3.25
+  115.0386 C5H7O3+ 1 115.039 -3.17
+  137.0594 C8H9O2+ 1 137.0597 -2.07
+  161.0591 C10H9O2+ 1 161.0597 -3.59
+  233.0804 C13H13O4+ 1 233.0808 -2.02
+  277.2152 C18H29O2+ 2 277.2162 -3.72
+  301.2155 C14H34ClO4+ 2 301.214 4.96
+  373.2369 C17H38ClO6+ 2 373.2351 4.8
+  431.3885 C29H51O2+ 1 431.3884 0.39
+  467.3642 C29H52ClO2+ 1 467.365 -1.73
+PK$NUM_PEAK: 14
+PK$PEAK: m/z int. rel.int.
+  45.0335 15514.9 16
+  57.0334 191087.1 201
+  61.0284 82708 87
+  73.0283 575875.6 606
+  97.0287 26090.2 27
+  115.0386 96835.3 102
+  137.0594 161314.8 169
+  161.0591 51653.9 54
+  233.0804 103599.6 109
+  277.2152 948264.8 999
+  301.2155 118615 124
+  373.2369 146846 154
+  431.3885 317314.6 334
+  467.3642 744357.8 784
+//
diff --git a/Eawag/MSBNK-EAWAG-EC111704.txt b/Eawag/MSBNK-EAWAG-EC111704.txt
new file mode 100644
index 0000000000..0d917ec4f3
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC111704.txt
@@ -0,0 +1,77 @@
+ACCESSION: MSBNK-EAWAG-EC111704
+RECORD_TITLE: Bartoloside J; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.6b00351
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1117
+CH$NAME: Bartoloside J
+CH$NAME: (2S,3R,4S,5R)-2-(2-(6-chlorododecyl)-3-hydroxy-5-undecylphenoxy)tetrahydro-2H-pyran-3,4,5-triol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C34H59ClO6
+CH$EXACT_MASS: 598.4000173
+CH$SMILES: CCCCCCCCCCCC1=CC(=C(C(=C1)O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)CCCCCC(CCCCCC)Cl)O
+CH$IUPAC: InChI=1S/C34H59ClO6/c1-3-5-7-9-10-11-12-13-15-19-26-23-29(36)28(22-18-14-17-21-27(35)20-16-8-6-4-2)31(24-26)41-34-33(39)32(38)30(37)25-40-34/h23-24,27,30,32-34,36-39H,3-22,25H2,1-2H3/t27?,30-,32+,33-,34+/m1/s1
+CH$LINK: PUBCHEM CID:132582915
+CH$LINK: INCHIKEY OTVIJJKBILNRLT-WPQQXQCVSA-N
+CH$LINK: CHEMSPIDER 58197380
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-632
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 16.657 min
+MS$FOCUSED_ION: BASE_PEAK 467.364
+MS$FOCUSED_ION: PRECURSOR_M/Z 599.4073
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00bi-7590200000-4d6951b4e192a4a5de47
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  45.0334 C2H5O+ 1 45.0335 -2.5
+  57.0334 C3H5O+ 1 57.0335 -0.92
+  61.0284 C2H5O2+ 1 61.0284 0.03
+  69.0334 C4H5O+ 1 69.0335 -1.42
+  69.0699 C5H9+ 1 69.0699 0.56
+  73.0283 C3H5O2+ 1 73.0284 -1.35
+  83.0854 C6H11+ 1 83.0855 -1.81
+  97.0282 C5H5O2+ 1 97.0284 -1.94
+  115.0386 C5H7O3+ 1 115.039 -3.43
+  137.0595 C8H9O2+ 1 137.0597 -1.85
+  161.0594 C10H9O2+ 1 161.0597 -2.07
+  233.0798 C13H13O4+ 1 233.0808 -4.24
+  277.2152 C18H29O2+ 2 277.2162 -3.72
+  299.1996 C20H27O2+ 2 299.2006 -3.05
+  301.2152 C14H34ClO4+ 2 301.214 3.95
+  431.3874 C29H51O2+ 2 431.3884 -2.15
+  467.365 C29H52ClO2+ 1 467.365 -0.03
+PK$NUM_PEAK: 17
+PK$PEAK: m/z int. rel.int.
+  45.0334 36613.8 29
+  57.0334 282378.8 229
+  61.0284 86484.2 70
+  69.0334 19268.9 15
+  69.0699 15434.6 12
+  73.0283 713568.9 579
+  83.0854 15794.7 12
+  97.0282 41913.8 34
+  115.0386 83274.7 67
+  137.0595 624826.6 507
+  161.0594 111627.6 90
+  233.0798 137470.1 111
+  277.2152 1230630.8 999
+  299.1996 53929.7 43
+  301.2152 102248.9 83
+  431.3874 244115.7 198
+  467.365 183434.5 148
+//
diff --git a/Eawag/MSBNK-EAWAG-EC111705.txt b/Eawag/MSBNK-EAWAG-EC111705.txt
new file mode 100644
index 0000000000..f9ed37aa67
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC111705.txt
@@ -0,0 +1,87 @@
+ACCESSION: MSBNK-EAWAG-EC111705
+RECORD_TITLE: Bartoloside J; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.6b00351
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1117
+CH$NAME: Bartoloside J
+CH$NAME: (2S,3R,4S,5R)-2-(2-(6-chlorododecyl)-3-hydroxy-5-undecylphenoxy)tetrahydro-2H-pyran-3,4,5-triol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C34H59ClO6
+CH$EXACT_MASS: 598.4000173
+CH$SMILES: CCCCCCCCCCCC1=CC(=C(C(=C1)O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)CCCCCC(CCCCCC)Cl)O
+CH$IUPAC: InChI=1S/C34H59ClO6/c1-3-5-7-9-10-11-12-13-15-19-26-23-29(36)28(22-18-14-17-21-27(35)20-16-8-6-4-2)31(24-26)41-34-33(39)32(38)30(37)25-40-34/h23-24,27,30,32-34,36-39H,3-22,25H2,1-2H3/t27?,30-,32+,33-,34+/m1/s1
+CH$LINK: PUBCHEM CID:132582915
+CH$LINK: INCHIKEY OTVIJJKBILNRLT-WPQQXQCVSA-N
+CH$LINK: CHEMSPIDER 58197380
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-632
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 16.657 min
+MS$FOCUSED_ION: BASE_PEAK 467.364
+MS$FOCUSED_ION: PRECURSOR_M/Z 599.4073
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0079-9820000000-c4e912180ae3cea46f74
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  45.0334 C2H5O+ 1 45.0335 -2.59
+  55.0542 C4H7+ 1 55.0542 -0.3
+  57.0334 C3H5O+ 1 57.0335 -1.12
+  57.0699 C4H9+ 1 57.0699 -0.06
+  61.0283 C2H5O2+ 1 61.0284 -1.78
+  69.0333 C4H5O+ 1 69.0335 -3.07
+  69.0698 C5H9+ 1 69.0699 -0.88
+  71.0854 C5H11+ 1 71.0855 -1.65
+  73.0283 C3H5O2+ 1 73.0284 -0.82
+  83.0854 C6H11+ 1 83.0855 -1.53
+  85.0282 C4H5O2+ 1 85.0284 -1.86
+  97.0283 C5H5O2+ 1 97.0284 -0.99
+  97.1014 C7H13+ 1 97.1012 1.97
+  115.039 C5H7O3+ 1 115.039 0.61
+  123.0439 C7H7O2+ 1 123.0441 -1.66
+  137.0595 C8H9O2+ 1 137.0597 -1.51
+  151.0752 C9H11O2+ 1 151.0754 -0.97
+  161.0592 C10H9O2+ 1 161.0597 -2.92
+  175.0748 C11H11O2+ 1 175.0754 -2.97
+  233.0801 C13H13O4+ 1 233.0808 -3.2
+  277.2155 C18H29O2+ 1 277.2162 -2.5
+  431.388 C29H51O2+ 2 431.3884 -0.81
+PK$NUM_PEAK: 22
+PK$PEAK: m/z int. rel.int.
+  45.0334 54085.3 39
+  55.0542 61598.1 45
+  57.0334 360891.2 265
+  57.0699 51634.4 37
+  61.0283 91846.2 67
+  69.0333 25787 18
+  69.0698 74881.8 55
+  71.0854 27784.4 20
+  73.0283 701421.8 516
+  83.0854 51694.1 38
+  85.0282 37107.3 27
+  97.0283 32845.1 24
+  97.1014 45428.9 33
+  115.039 28603.8 21
+  123.0439 24243.4 17
+  137.0595 1357826 999
+  151.0752 22175.1 16
+  161.0592 139684.3 102
+  175.0748 23055.8 16
+  233.0801 125648.9 92
+  277.2155 289419.3 212
+  431.388 32515.2 23
+//
diff --git a/Eawag/MSBNK-EAWAG-EC111706.txt b/Eawag/MSBNK-EAWAG-EC111706.txt
new file mode 100644
index 0000000000..363fe69fe6
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC111706.txt
@@ -0,0 +1,79 @@
+ACCESSION: MSBNK-EAWAG-EC111706
+RECORD_TITLE: Bartoloside J; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.6b00351
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1117
+CH$NAME: Bartoloside J
+CH$NAME: (2S,3R,4S,5R)-2-(2-(6-chlorododecyl)-3-hydroxy-5-undecylphenoxy)tetrahydro-2H-pyran-3,4,5-triol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C34H59ClO6
+CH$EXACT_MASS: 598.4000173
+CH$SMILES: CCCCCCCCCCCC1=CC(=C(C(=C1)O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)CCCCCC(CCCCCC)Cl)O
+CH$IUPAC: InChI=1S/C34H59ClO6/c1-3-5-7-9-10-11-12-13-15-19-26-23-29(36)28(22-18-14-17-21-27(35)20-16-8-6-4-2)31(24-26)41-34-33(39)32(38)30(37)25-40-34/h23-24,27,30,32-34,36-39H,3-22,25H2,1-2H3/t27?,30-,32+,33-,34+/m1/s1
+CH$LINK: PUBCHEM CID:132582915
+CH$LINK: INCHIKEY OTVIJJKBILNRLT-WPQQXQCVSA-N
+CH$LINK: CHEMSPIDER 58197380
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-632
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 16.657 min
+MS$FOCUSED_ION: BASE_PEAK 467.364
+MS$FOCUSED_ION: PRECURSOR_M/Z 599.4073
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0079-9600000000-779dd77649e9ea7aa9b1
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  45.0335 C2H5O+ 1 45.0335 -0.64
+  55.0542 C4H7+ 1 55.0542 -0.85
+  57.0334 C3H5O+ 1 57.0335 -1.32
+  57.0698 C4H9+ 1 57.0699 -2.14
+  59.0492 C3H7O+ 1 59.0491 0.56
+  61.0283 C2H5O2+ 1 61.0284 -1.03
+  69.0334 C4H5O+ 1 69.0335 -0.97
+  69.0698 C5H9+ 1 69.0699 -0.65
+  73.0283 C3H5O2+ 1 73.0284 -0.93
+  83.0853 C6H11+ 1 83.0855 -2.36
+  85.0285 C4H5O2+ 1 85.0284 1.1
+  97.0283 C5H5O2+ 1 97.0284 -0.83
+  97.1009 C7H13+ 1 97.1012 -3.29
+  137.0594 C8H9O2+ 1 137.0597 -2.07
+  151.0755 C9H11O2+ 1 151.0754 1.05
+  161.0595 C10H9O2+ 1 161.0597 -1.41
+  163.0755 C10H11O2+ 1 163.0754 0.78
+  175.0754 C11H11O2+ 1 175.0754 0.25
+PK$NUM_PEAK: 18
+PK$PEAK: m/z int. rel.int.
+  45.0335 76506.6 63
+  55.0542 175962.8 145
+  57.0334 384316.2 317
+  57.0698 113255.7 93
+  59.0492 22440.4 18
+  61.0283 74744.3 61
+  69.0334 47848.4 39
+  69.0698 148085 122
+  73.0283 645290.3 532
+  83.0853 85734 70
+  85.0285 29291.1 24
+  97.0283 17277.6 14
+  97.1009 47409.3 39
+  137.0594 1210459.1 999
+  151.0755 36158.9 29
+  161.0595 134965.7 111
+  163.0755 18687.7 15
+  175.0754 30956.1 25
+//
diff --git a/Eawag/MSBNK-EAWAG-EC111707.txt b/Eawag/MSBNK-EAWAG-EC111707.txt
new file mode 100644
index 0000000000..1a61d3452d
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC111707.txt
@@ -0,0 +1,81 @@
+ACCESSION: MSBNK-EAWAG-EC111707
+RECORD_TITLE: Bartoloside J; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.6b00351
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1117
+CH$NAME: Bartoloside J
+CH$NAME: (2S,3R,4S,5R)-2-(2-(6-chlorododecyl)-3-hydroxy-5-undecylphenoxy)tetrahydro-2H-pyran-3,4,5-triol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C34H59ClO6
+CH$EXACT_MASS: 598.4000173
+CH$SMILES: CCCCCCCCCCCC1=CC(=C(C(=C1)O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)CCCCCC(CCCCCC)Cl)O
+CH$IUPAC: InChI=1S/C34H59ClO6/c1-3-5-7-9-10-11-12-13-15-19-26-23-29(36)28(22-18-14-17-21-27(35)20-16-8-6-4-2)31(24-26)41-34-33(39)32(38)30(37)25-40-34/h23-24,27,30,32-34,36-39H,3-22,25H2,1-2H3/t27?,30-,32+,33-,34+/m1/s1
+CH$LINK: PUBCHEM CID:132582915
+CH$LINK: INCHIKEY OTVIJJKBILNRLT-WPQQXQCVSA-N
+CH$LINK: CHEMSPIDER 58197380
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-632
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 16.657 min
+MS$FOCUSED_ION: BASE_PEAK 467.364
+MS$FOCUSED_ION: PRECURSOR_M/Z 599.4073
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-059i-9500000000-9539a0c9aeca2b1c12d3
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  45.0334 C2H5O+ 1 45.0335 -1.49
+  55.0178 C3H3O+ 1 55.0178 -0.22
+  55.0542 C4H7+ 1 55.0542 -0.58
+  57.0334 C3H5O+ 1 57.0335 -1.52
+  57.0698 C4H9+ 1 57.0699 -1.07
+  59.0491 C3H7O+ 1 59.0491 -0.6
+  61.0284 C2H5O2+ 1 61.0284 -0.03
+  69.0335 C4H5O+ 1 69.0335 -0.2
+  69.0698 C5H9+ 1 69.0699 -0.65
+  71.0855 C5H11+ 1 71.0855 -0.58
+  73.0284 C3H5O2+ 1 73.0284 -0.72
+  83.0856 C6H11+ 1 83.0855 0.76
+  97.1014 C7H13+ 1 97.1012 1.82
+  123.044 C7H7O2+ 1 123.0441 -0.36
+  137.0595 C8H9O2+ 1 137.0597 -1.62
+  151.0751 C9H11O2+ 1 151.0754 -1.68
+  161.0595 C10H9O2+ 1 161.0597 -1.03
+  174.0669 C11H10O2+ 1 174.0675 -3.86
+  175.0748 C11H11O2+ 1 175.0754 -2.97
+PK$NUM_PEAK: 19
+PK$PEAK: m/z int. rel.int.
+  45.0334 109441.8 126
+  55.0178 25733.6 29
+  55.0542 236144.3 272
+  57.0334 391957.5 453
+  57.0698 103040.4 119
+  59.0491 27229.4 31
+  61.0284 75245 86
+  69.0335 29231.3 33
+  69.0698 188789.1 218
+  71.0855 30405.6 35
+  73.0284 503012 581
+  83.0856 31011.2 35
+  97.1014 21723.9 25
+  123.044 47330.5 54
+  137.0595 864302.4 999
+  151.0751 36374 42
+  161.0595 91134.2 105
+  174.0669 13708.5 15
+  175.0748 42960.7 49
+//
diff --git a/Eawag/MSBNK-EAWAG-EC111708.txt b/Eawag/MSBNK-EAWAG-EC111708.txt
new file mode 100644
index 0000000000..35be8540b1
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC111708.txt
@@ -0,0 +1,77 @@
+ACCESSION: MSBNK-EAWAG-EC111708
+RECORD_TITLE: Bartoloside J; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.6b00351
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1117
+CH$NAME: Bartoloside J
+CH$NAME: (2S,3R,4S,5R)-2-(2-(6-chlorododecyl)-3-hydroxy-5-undecylphenoxy)tetrahydro-2H-pyran-3,4,5-triol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C34H59ClO6
+CH$EXACT_MASS: 598.4000173
+CH$SMILES: CCCCCCCCCCCC1=CC(=C(C(=C1)O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)CCCCCC(CCCCCC)Cl)O
+CH$IUPAC: InChI=1S/C34H59ClO6/c1-3-5-7-9-10-11-12-13-15-19-26-23-29(36)28(22-18-14-17-21-27(35)20-16-8-6-4-2)31(24-26)41-34-33(39)32(38)30(37)25-40-34/h23-24,27,30,32-34,36-39H,3-22,25H2,1-2H3/t27?,30-,32+,33-,34+/m1/s1
+CH$LINK: PUBCHEM CID:132582915
+CH$LINK: INCHIKEY OTVIJJKBILNRLT-WPQQXQCVSA-N
+CH$LINK: CHEMSPIDER 58197380
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-632
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 16.657 min
+MS$FOCUSED_ION: BASE_PEAK 467.364
+MS$FOCUSED_ION: PRECURSOR_M/Z 599.4073
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0abi-9400000000-eea4d3514f0b90800296
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  45.0334 C2H5O+ 1 45.0335 -2
+  55.0179 C3H3O+ 1 55.0178 1.73
+  55.0541 C4H7+ 1 55.0542 -1.82
+  57.0334 C3H5O+ 1 57.0335 -1.52
+  57.0698 C4H9+ 1 57.0699 -2.2
+  59.0491 C3H7O+ 1 59.0491 -0.15
+  61.0284 C2H5O2+ 1 61.0284 0.03
+  67.0541 C5H7+ 1 67.0542 -2.58
+  69.0334 C4H5O+ 1 69.0335 -0.86
+  69.0698 C5H9+ 1 69.0699 -1.32
+  73.0283 C3H5O2+ 1 73.0284 -1.03
+  83.0855 C6H11+ 1 83.0855 -0.25
+  109.0648 C7H9O+ 1 109.0648 -0.23
+  123.0439 C7H7O2+ 1 123.0441 -1.29
+  137.0595 C8H9O2+ 1 137.0597 -1.73
+  151.0753 C9H11O2+ 1 151.0754 -0.16
+  161.0597 C10H9O2+ 1 161.0597 0.2
+PK$NUM_PEAK: 17
+PK$PEAK: m/z int. rel.int.
+  45.0334 155305.5 254
+  55.0179 22473 36
+  55.0541 257665.4 422
+  57.0334 390079.6 640
+  57.0698 109633.9 179
+  59.0491 24761.6 40
+  61.0284 78391.8 128
+  67.0541 26319.7 43
+  69.0334 38451.6 63
+  69.0698 153227.1 251
+  73.0283 407504.4 668
+  83.0855 23212.9 38
+  109.0648 23785.1 39
+  123.0439 67788.1 111
+  137.0595 608814.6 999
+  151.0753 29299 48
+  161.0597 70081.9 114
+//
diff --git a/Eawag/MSBNK-EAWAG-EC111709.txt b/Eawag/MSBNK-EAWAG-EC111709.txt
new file mode 100644
index 0000000000..5451708dc4
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC111709.txt
@@ -0,0 +1,77 @@
+ACCESSION: MSBNK-EAWAG-EC111709
+RECORD_TITLE: Bartoloside J; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.6b00351
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1117
+CH$NAME: Bartoloside J
+CH$NAME: (2S,3R,4S,5R)-2-(2-(6-chlorododecyl)-3-hydroxy-5-undecylphenoxy)tetrahydro-2H-pyran-3,4,5-triol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C34H59ClO6
+CH$EXACT_MASS: 598.4000173
+CH$SMILES: CCCCCCCCCCCC1=CC(=C(C(=C1)O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)CCCCCC(CCCCCC)Cl)O
+CH$IUPAC: InChI=1S/C34H59ClO6/c1-3-5-7-9-10-11-12-13-15-19-26-23-29(36)28(22-18-14-17-21-27(35)20-16-8-6-4-2)31(24-26)41-34-33(39)32(38)30(37)25-40-34/h23-24,27,30,32-34,36-39H,3-22,25H2,1-2H3/t27?,30-,32+,33-,34+/m1/s1
+CH$LINK: PUBCHEM CID:132582915
+CH$LINK: INCHIKEY OTVIJJKBILNRLT-WPQQXQCVSA-N
+CH$LINK: CHEMSPIDER 58197380
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-632
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 16.657 min
+MS$FOCUSED_ION: BASE_PEAK 467.364
+MS$FOCUSED_ION: PRECURSOR_M/Z 599.4073
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0a4i-9300000000-aa5f9d953267716d33a1
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  45.0335 C2H5O+ 1 45.0335 -0.3
+  55.0178 C3H3O+ 1 55.0178 -1.46
+  55.0542 C4H7+ 1 55.0542 -1.2
+  57.0334 C3H5O+ 1 57.0335 -0.99
+  57.0698 C4H9+ 1 57.0699 -1.94
+  59.0491 C3H7O+ 1 59.0491 -0.15
+  61.0284 C2H5O2+ 1 61.0284 0.41
+  67.0543 C5H7+ 1 67.0542 0.83
+  69.0335 C4H5O+ 1 69.0335 0.02
+  69.0698 C5H9+ 1 69.0699 -1.32
+  73.0283 C3H5O2+ 1 73.0284 -1.35
+  91.0544 C7H7+ 1 91.0542 2.15
+  109.0649 C7H9O+ 1 109.0648 0.96
+  123.0441 C7H7O2+ 1 123.0441 0.7
+  137.0595 C8H9O2+ 1 137.0597 -1.4
+  174.0671 C11H10O2+ 1 174.0675 -2.54
+  175.0753 C11H11O2+ 1 175.0754 -0.45
+PK$NUM_PEAK: 17
+PK$PEAK: m/z int. rel.int.
+  45.0335 49453.9 142
+  55.0178 21502.3 62
+  55.0542 253079.6 731
+  57.0334 338524.7 978
+  57.0698 77520.6 224
+  59.0491 21936 63
+  61.0284 55255.9 159
+  67.0543 23306.4 67
+  69.0335 39145.7 113
+  69.0698 97105.1 280
+  73.0283 268783.9 777
+  91.0544 34169.9 98
+  109.0649 39345.7 113
+  123.0441 36340.5 105
+  137.0595 345562.8 999
+  174.0671 24269.8 70
+  175.0753 10741 31
+//
diff --git a/Eawag/MSBNK-EAWAG-EC111801.txt b/Eawag/MSBNK-EAWAG-EC111801.txt
new file mode 100644
index 0000000000..b8c19df0fd
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC111801.txt
@@ -0,0 +1,61 @@
+ACCESSION: MSBNK-EAWAG-EC111801
+RECORD_TITLE: Bartoloside E; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1371/journal.pone.0069562.g001
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1118
+CH$NAME: Bartoloside E
+CH$NAME: (2S,3R,4S,5R)-2-(2-(6-chlorododecyl)-5-(7-chloroundecyl)-3-hydroxyphenoxy)tetrahydro-2H-pyran-3,4,5-triol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C34H58Cl2O6
+CH$EXACT_MASS: 632.3610449
+CH$SMILES: CCCCCCC(CCCCCC1=C(C=C(C=C1O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)CCCCCCC(CCCC)Cl)O)Cl
+CH$IUPAC: InChI=1S/C34H58Cl2O6/c1-3-5-7-12-18-27(36)20-14-10-15-21-28-29(37)22-25(16-11-8-9-13-19-26(35)17-6-4-2)23-31(28)42-34-33(40)32(39)30(38)24-41-34/h22-23,26-27,30,32-34,37-40H,3-21,24H2,1-2H3/t26?,27?,30-,32+,33-,34+/m1/s1
+CH$LINK: PUBCHEM CID:132582908
+CH$LINK: INCHIKEY NYUHMGANIQYFOK-ANHKVXBOSA-N
+CH$LINK: CHEMSPIDER 58197375
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-667
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 16.187 min
+MS$FOCUSED_ION: BASE_PEAK 501.3256
+MS$FOCUSED_ION: PRECURSOR_M/Z 633.3683
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0udi-0000090000-c56c1565f408714b1b23
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  61.0285 C2H5O2+ 1 61.0284 0.78
+  73.0284 C3H5O2+ 1 73.0284 -0.41
+  115.0388 C5H7O3+ 1 115.039 -1.51
+  407.1982 C23H32ClO4+ 1 407.1984 -0.37
+  465.3483 C29H50ClO2+ 2 465.3494 -2.29
+  501.3258 C29H51Cl2O2+ 1 501.3261 -0.45
+  525.3229 C32H45O6+ 1 525.3211 3.43
+  561.3707 C34H54ClO4+ 2 561.3705 0.25
+  597.3458 C34H55Cl2O4+ 1 597.3472 -2.38
+PK$NUM_PEAK: 9
+PK$PEAK: m/z int. rel.int.
+  61.0285 48596.2 12
+  73.0284 366625.7 97
+  115.0388 155641.8 41
+  407.1982 251097 67
+  465.3483 168939.3 45
+  501.3258 3741243.8 999
+  525.3229 334656 89
+  561.3707 361966.8 96
+  597.3458 565306.2 150
+//
diff --git a/Eawag/MSBNK-EAWAG-EC111802.txt b/Eawag/MSBNK-EAWAG-EC111802.txt
new file mode 100644
index 0000000000..0dc3393cd0
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC111802.txt
@@ -0,0 +1,65 @@
+ACCESSION: MSBNK-EAWAG-EC111802
+RECORD_TITLE: Bartoloside E; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1371/journal.pone.0069562.g001
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1118
+CH$NAME: Bartoloside E
+CH$NAME: (2S,3R,4S,5R)-2-(2-(6-chlorododecyl)-5-(7-chloroundecyl)-3-hydroxyphenoxy)tetrahydro-2H-pyran-3,4,5-triol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C34H58Cl2O6
+CH$EXACT_MASS: 632.3610449
+CH$SMILES: CCCCCCC(CCCCCC1=C(C=C(C=C1O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)CCCCCCC(CCCC)Cl)O)Cl
+CH$IUPAC: InChI=1S/C34H58Cl2O6/c1-3-5-7-12-18-27(36)20-14-10-15-21-28-29(37)22-25(16-11-8-9-13-19-26(35)17-6-4-2)23-31(28)42-34-33(40)32(39)30(38)24-41-34/h22-23,26-27,30,32-34,37-40H,3-21,24H2,1-2H3/t26?,27?,30-,32+,33-,34+/m1/s1
+CH$LINK: PUBCHEM CID:132582908
+CH$LINK: INCHIKEY NYUHMGANIQYFOK-ANHKVXBOSA-N
+CH$LINK: CHEMSPIDER 58197375
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-667
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 16.187 min
+MS$FOCUSED_ION: BASE_PEAK 501.3256
+MS$FOCUSED_ION: PRECURSOR_M/Z 633.3683
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0udi-3002290000-3228d1e110589f7b5156
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  57.0335 C3H5O+ 1 57.0335 -0.45
+  61.0284 C2H5O2+ 1 61.0284 -0.47
+  73.0284 C3H5O2+ 1 73.0284 0.12
+  115.039 C5H7O3+ 1 115.039 0.15
+  133.0496 C5H9O4+ 1 133.0495 0.13
+  311.1768 C18H28ClO2+ 1 311.1772 -1.38
+  371.2216 C23H31O4+ 1 371.2217 -0.12
+  407.1979 C23H32ClO4+ 2 407.1984 -1.04
+  465.3493 C29H50ClO2+ 2 465.3494 -0.12
+  501.3263 C29H51Cl2O2+ 1 501.3261 0.4
+  561.3703 C34H54ClO4+ 2 561.3705 -0.29
+PK$NUM_PEAK: 11
+PK$PEAK: m/z int. rel.int.
+  57.0335 214793.7 85
+  61.0284 109681.6 43
+  73.0284 804979.1 321
+  115.039 199799.8 79
+  133.0496 49005.2 19
+  311.1768 330275 132
+  371.2216 284227.4 113
+  407.1979 217363.9 86
+  465.3493 651437.9 260
+  501.3263 2498652.2 999
+  561.3703 134476.8 53
+//
diff --git a/Eawag/MSBNK-EAWAG-EC111803.txt b/Eawag/MSBNK-EAWAG-EC111803.txt
new file mode 100644
index 0000000000..3452e26f2a
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC111803.txt
@@ -0,0 +1,65 @@
+ACCESSION: MSBNK-EAWAG-EC111803
+RECORD_TITLE: Bartoloside E; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1371/journal.pone.0069562.g001
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1118
+CH$NAME: Bartoloside E
+CH$NAME: (2S,3R,4S,5R)-2-(2-(6-chlorododecyl)-5-(7-chloroundecyl)-3-hydroxyphenoxy)tetrahydro-2H-pyran-3,4,5-triol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C34H58Cl2O6
+CH$EXACT_MASS: 632.3610449
+CH$SMILES: CCCCCCC(CCCCCC1=C(C=C(C=C1O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)CCCCCCC(CCCC)Cl)O)Cl
+CH$IUPAC: InChI=1S/C34H58Cl2O6/c1-3-5-7-12-18-27(36)20-14-10-15-21-28-29(37)22-25(16-11-8-9-13-19-26(35)17-6-4-2)23-31(28)42-34-33(40)32(39)30(38)24-41-34/h22-23,26-27,30,32-34,37-40H,3-21,24H2,1-2H3/t26?,27?,30-,32+,33-,34+/m1/s1
+CH$LINK: PUBCHEM CID:132582908
+CH$LINK: INCHIKEY NYUHMGANIQYFOK-ANHKVXBOSA-N
+CH$LINK: CHEMSPIDER 58197375
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-667
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 16.187 min
+MS$FOCUSED_ION: BASE_PEAK 501.3256
+MS$FOCUSED_ION: PRECURSOR_M/Z 633.3683
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0hvi-9124540000-02aa04c0748d6a4d18c1
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  57.0335 C3H5O+ 1 57.0335 -0.52
+  61.0284 C2H5O2+ 1 61.0284 0.03
+  73.0284 C3H5O2+ 1 73.0284 -0.41
+  97.0285 C5H5O2+ 1 97.0284 1.05
+  115.0388 C5H7O3+ 1 115.039 -1.31
+  275.1997 C18H27O2+ 2 275.2006 -3.09
+  311.1763 C18H28ClO2+ 2 311.1772 -2.85
+  371.2214 C23H31O4+ 1 371.2217 -0.7
+  429.3723 C29H49O2+ 2 429.3727 -0.98
+  465.3493 C29H50ClO2+ 2 465.3494 -0.12
+  501.3263 C29H51Cl2O2+ 1 501.3261 0.4
+PK$NUM_PEAK: 11
+PK$PEAK: m/z int. rel.int.
+  57.0335 384159.4 320
+  61.0284 154699.7 128
+  73.0284 1198329.5 999
+  97.0285 55036.8 45
+  115.0388 200778.7 167
+  275.1997 502391.5 418
+  311.1763 636051.6 530
+  371.2214 294516.2 245
+  429.3723 285547.8 238
+  465.3493 850156.3 708
+  501.3263 959464.8 799
+//
diff --git a/Eawag/MSBNK-EAWAG-EC111804.txt b/Eawag/MSBNK-EAWAG-EC111804.txt
new file mode 100644
index 0000000000..7eb561d99f
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC111804.txt
@@ -0,0 +1,73 @@
+ACCESSION: MSBNK-EAWAG-EC111804
+RECORD_TITLE: Bartoloside E; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1371/journal.pone.0069562.g001
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1118
+CH$NAME: Bartoloside E
+CH$NAME: (2S,3R,4S,5R)-2-(2-(6-chlorododecyl)-5-(7-chloroundecyl)-3-hydroxyphenoxy)tetrahydro-2H-pyran-3,4,5-triol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C34H58Cl2O6
+CH$EXACT_MASS: 632.3610449
+CH$SMILES: CCCCCCC(CCCCCC1=C(C=C(C=C1O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)CCCCCCC(CCCC)Cl)O)Cl
+CH$IUPAC: InChI=1S/C34H58Cl2O6/c1-3-5-7-12-18-27(36)20-14-10-15-21-28-29(37)22-25(16-11-8-9-13-19-26(35)17-6-4-2)23-31(28)42-34-33(40)32(39)30(38)24-41-34/h22-23,26-27,30,32-34,37-40H,3-21,24H2,1-2H3/t26?,27?,30-,32+,33-,34+/m1/s1
+CH$LINK: PUBCHEM CID:132582908
+CH$LINK: INCHIKEY NYUHMGANIQYFOK-ANHKVXBOSA-N
+CH$LINK: CHEMSPIDER 58197375
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-667
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 16.187 min
+MS$FOCUSED_ION: BASE_PEAK 501.3256
+MS$FOCUSED_ION: PRECURSOR_M/Z 633.3683
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00b9-9342200000-0922aab30a21f592e530
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  57.0335 C3H5O+ 1 57.0335 -0.52
+  61.0283 C2H5O2+ 1 61.0284 -1.4
+  69.0335 C4H5O+ 1 69.0335 -0.2
+  73.0284 C3H5O2+ 1 73.0284 -0.41
+  97.0284 C5H5O2+ 1 97.0284 0.19
+  115.0389 C5H7O3+ 1 115.039 -0.98
+  137.0597 C8H9O2+ 1 137.0597 -0.4
+  177.0908 C11H13O2+ 1 177.091 -1.06
+  195.0202 C10H8ClO2+ 1 195.0207 -2.49
+  273.1115 C16H17O4+ 1 273.1121 -2.51
+  275.1996 C18H27O2+ 2 275.2006 -3.42
+  311.1761 C18H28ClO2+ 2 311.1772 -3.74
+  335.1761 C14H33Cl2O4+ 2 335.175 3.26
+  429.372 C29H49O2+ 2 429.3727 -1.76
+  465.3489 C29H50ClO2+ 2 465.3494 -0.98
+PK$NUM_PEAK: 15
+PK$PEAK: m/z int. rel.int.
+  57.0335 454708.4 406
+  61.0283 155695.2 139
+  69.0335 46554.9 41
+  73.0284 1116810.9 999
+  97.0284 75613.4 67
+  115.0389 131158.3 117
+  137.0597 249537.9 223
+  177.0908 165064.7 147
+  195.0202 78641.4 70
+  273.1115 63131.8 56
+  275.1996 892427.6 798
+  311.1761 400944.1 358
+  335.1761 79464.5 71
+  429.372 296671.7 265
+  465.3489 293724.8 262
+//
diff --git a/Eawag/MSBNK-EAWAG-EC111805.txt b/Eawag/MSBNK-EAWAG-EC111805.txt
new file mode 100644
index 0000000000..e597d2dbe2
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC111805.txt
@@ -0,0 +1,77 @@
+ACCESSION: MSBNK-EAWAG-EC111805
+RECORD_TITLE: Bartoloside E; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1371/journal.pone.0069562.g001
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1118
+CH$NAME: Bartoloside E
+CH$NAME: (2S,3R,4S,5R)-2-(2-(6-chlorododecyl)-5-(7-chloroundecyl)-3-hydroxyphenoxy)tetrahydro-2H-pyran-3,4,5-triol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C34H58Cl2O6
+CH$EXACT_MASS: 632.3610449
+CH$SMILES: CCCCCCC(CCCCCC1=C(C=C(C=C1O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)CCCCCCC(CCCC)Cl)O)Cl
+CH$IUPAC: InChI=1S/C34H58Cl2O6/c1-3-5-7-12-18-27(36)20-14-10-15-21-28-29(37)22-25(16-11-8-9-13-19-26(35)17-6-4-2)23-31(28)42-34-33(40)32(39)30(38)24-41-34/h22-23,26-27,30,32-34,37-40H,3-21,24H2,1-2H3/t26?,27?,30-,32+,33-,34+/m1/s1
+CH$LINK: PUBCHEM CID:132582908
+CH$LINK: INCHIKEY NYUHMGANIQYFOK-ANHKVXBOSA-N
+CH$LINK: CHEMSPIDER 58197375
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-667
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 16.187 min
+MS$FOCUSED_ION: BASE_PEAK 501.3256
+MS$FOCUSED_ION: PRECURSOR_M/Z 633.3683
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00g0-9620000000-ef955f3557e4ba4e1dfe
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  45.0334 C2H5O+ 1 45.0335 -1.4
+  55.0542 C4H7+ 1 55.0542 0.39
+  57.0335 C3H5O+ 1 57.0335 -0.18
+  61.0283 C2H5O2+ 1 61.0284 -0.97
+  69.0335 C4H5O+ 1 69.0335 0.46
+  69.0698 C5H9+ 1 69.0699 -0.76
+  73.0284 C3H5O2+ 1 73.0284 0.01
+  97.0283 C5H5O2+ 1 97.0284 -1.46
+  115.0389 C5H7O3+ 1 115.039 -0.98
+  137.0596 C8H9O2+ 1 137.0597 -0.96
+  161.0594 C10H9O2+ 1 161.0597 -1.69
+  163.0752 C10H11O2+ 1 163.0754 -0.91
+  171.0204 C8H8ClO2+ 1 171.0207 -1.81
+  177.0908 C11H13O2+ 1 177.091 -1.23
+  195.0201 C10H8ClO2+ 1 195.0207 -3.12
+  233.0799 C13H13O4+ 1 233.0808 -4.05
+  275.1998 C18H27O2+ 1 275.2006 -2.65
+PK$NUM_PEAK: 17
+PK$PEAK: m/z int. rel.int.
+  45.0334 87375 60
+  55.0542 119357.3 82
+  57.0335 699300.7 485
+  61.0283 158664.3 110
+  69.0335 73583.9 51
+  69.0698 151926.7 105
+  73.0284 1437800.1 999
+  97.0283 95478.5 66
+  115.0389 96073.8 66
+  137.0596 824412.6 572
+  161.0594 171272.2 119
+  163.0752 319150.9 221
+  171.0204 142310.4 98
+  177.0908 389336.7 270
+  195.0201 113060.7 78
+  233.0799 159149.4 110
+  275.1998 620371.4 431
+//
diff --git a/Eawag/MSBNK-EAWAG-EC111806.txt b/Eawag/MSBNK-EAWAG-EC111806.txt
new file mode 100644
index 0000000000..f3fc1fb85d
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC111806.txt
@@ -0,0 +1,75 @@
+ACCESSION: MSBNK-EAWAG-EC111806
+RECORD_TITLE: Bartoloside E; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1371/journal.pone.0069562.g001
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1118
+CH$NAME: Bartoloside E
+CH$NAME: (2S,3R,4S,5R)-2-(2-(6-chlorododecyl)-5-(7-chloroundecyl)-3-hydroxyphenoxy)tetrahydro-2H-pyran-3,4,5-triol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C34H58Cl2O6
+CH$EXACT_MASS: 632.3610449
+CH$SMILES: CCCCCCC(CCCCCC1=C(C=C(C=C1O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)CCCCCCC(CCCC)Cl)O)Cl
+CH$IUPAC: InChI=1S/C34H58Cl2O6/c1-3-5-7-12-18-27(36)20-14-10-15-21-28-29(37)22-25(16-11-8-9-13-19-26(35)17-6-4-2)23-31(28)42-34-33(40)32(39)30(38)24-41-34/h22-23,26-27,30,32-34,37-40H,3-21,24H2,1-2H3/t26?,27?,30-,32+,33-,34+/m1/s1
+CH$LINK: PUBCHEM CID:132582908
+CH$LINK: INCHIKEY NYUHMGANIQYFOK-ANHKVXBOSA-N
+CH$LINK: CHEMSPIDER 58197375
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-667
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 16.187 min
+MS$FOCUSED_ION: BASE_PEAK 501.3256
+MS$FOCUSED_ION: PRECURSOR_M/Z 633.3683
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-05g0-9500000000-b7fe93a28f278e2bf96d
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  45.0334 C2H5O+ 1 45.0335 -0.98
+  55.0542 C4H7+ 1 55.0542 -0.72
+  57.0335 C3H5O+ 1 57.0335 -0.45
+  61.0283 C2H5O2+ 1 61.0284 -2.03
+  69.0335 C4H5O+ 1 69.0335 0.68
+  69.0698 C5H9+ 1 69.0699 -0.88
+  73.0284 C3H5O2+ 1 73.0284 -0.51
+  83.0854 C6H11+ 1 83.0855 -1.44
+  95.0855 C7H11+ 1 95.0855 0.04
+  135.0442 C8H7O2+ 1 135.0441 1.09
+  137.0595 C8H9O2+ 1 137.0597 -1.29
+  161.0595 C10H9O2+ 1 161.0597 -1.31
+  163.0751 C10H11O2+ 1 163.0754 -1.56
+  171.0207 C8H8ClO2+ 1 171.0207 -0.03
+  177.0909 C11H13O2+ 1 177.091 -0.54
+  195.0208 C10H8ClO2+ 1 195.0207 0.09
+PK$NUM_PEAK: 16
+PK$PEAK: m/z int. rel.int.
+  45.0334 119503.9 94
+  55.0542 266270.3 210
+  57.0335 718137.5 567
+  61.0283 174651.2 138
+  69.0335 72815.3 57
+  69.0698 275353.8 217
+  73.0284 1263687.2 999
+  83.0854 85385.6 67
+  95.0855 45617.9 36
+  135.0442 94065.4 74
+  137.0595 878691.8 694
+  161.0595 174360.1 137
+  163.0751 246735.2 195
+  171.0207 96448.5 76
+  177.0909 317646.5 251
+  195.0208 93814 74
+//
diff --git a/Eawag/MSBNK-EAWAG-EC111807.txt b/Eawag/MSBNK-EAWAG-EC111807.txt
new file mode 100644
index 0000000000..6aa59148fb
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC111807.txt
@@ -0,0 +1,69 @@
+ACCESSION: MSBNK-EAWAG-EC111807
+RECORD_TITLE: Bartoloside E; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1371/journal.pone.0069562.g001
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1118
+CH$NAME: Bartoloside E
+CH$NAME: (2S,3R,4S,5R)-2-(2-(6-chlorododecyl)-5-(7-chloroundecyl)-3-hydroxyphenoxy)tetrahydro-2H-pyran-3,4,5-triol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C34H58Cl2O6
+CH$EXACT_MASS: 632.3610449
+CH$SMILES: CCCCCCC(CCCCCC1=C(C=C(C=C1O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)CCCCCCC(CCCC)Cl)O)Cl
+CH$IUPAC: InChI=1S/C34H58Cl2O6/c1-3-5-7-12-18-27(36)20-14-10-15-21-28-29(37)22-25(16-11-8-9-13-19-26(35)17-6-4-2)23-31(28)42-34-33(40)32(39)30(38)24-41-34/h22-23,26-27,30,32-34,37-40H,3-21,24H2,1-2H3/t26?,27?,30-,32+,33-,34+/m1/s1
+CH$LINK: PUBCHEM CID:132582908
+CH$LINK: INCHIKEY NYUHMGANIQYFOK-ANHKVXBOSA-N
+CH$LINK: CHEMSPIDER 58197375
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-667
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 16.187 min
+MS$FOCUSED_ION: BASE_PEAK 501.3256
+MS$FOCUSED_ION: PRECURSOR_M/Z 633.3683
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0abi-9400000000-a4d7202143a078117446
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  45.0335 C2H5O+ 1 45.0335 -0.73
+  55.0542 C4H7+ 1 55.0542 -0.37
+  57.0335 C3H5O+ 1 57.0335 -0.12
+  61.0283 C2H5O2+ 1 61.0284 -1.15
+  69.0698 C5H9+ 1 69.0699 -0.54
+  73.0284 C3H5O2+ 1 73.0284 -0.51
+  123.0439 C7H7O2+ 1 123.0441 -1.23
+  137.0595 C8H9O2+ 1 137.0597 -1.29
+  161.0595 C10H9O2+ 1 161.0597 -1.22
+  163.0753 C10H11O2+ 1 163.0754 -0.25
+  171.0206 C8H8ClO2+ 1 171.0207 -1.01
+  175.0751 C11H11O2+ 1 175.0754 -1.49
+  177.0908 C11H13O2+ 1 177.091 -1.23
+PK$NUM_PEAK: 13
+PK$PEAK: m/z int. rel.int.
+  45.0335 210675.6 190
+  55.0542 403957.6 364
+  57.0335 784945 709
+  61.0283 142882.9 129
+  69.0698 303002.8 273
+  73.0284 1105769.5 999
+  123.0439 123051.3 111
+  137.0595 752024.1 679
+  161.0595 142348 128
+  163.0753 182958 165
+  171.0206 95541.3 86
+  175.0751 86139.8 77
+  177.0908 208308 188
+//
diff --git a/Eawag/MSBNK-EAWAG-EC111808.txt b/Eawag/MSBNK-EAWAG-EC111808.txt
new file mode 100644
index 0000000000..71f7baae31
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC111808.txt
@@ -0,0 +1,67 @@
+ACCESSION: MSBNK-EAWAG-EC111808
+RECORD_TITLE: Bartoloside E; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1371/journal.pone.0069562.g001
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1118
+CH$NAME: Bartoloside E
+CH$NAME: (2S,3R,4S,5R)-2-(2-(6-chlorododecyl)-5-(7-chloroundecyl)-3-hydroxyphenoxy)tetrahydro-2H-pyran-3,4,5-triol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C34H58Cl2O6
+CH$EXACT_MASS: 632.3610449
+CH$SMILES: CCCCCCC(CCCCCC1=C(C=C(C=C1O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)CCCCCCC(CCCC)Cl)O)Cl
+CH$IUPAC: InChI=1S/C34H58Cl2O6/c1-3-5-7-12-18-27(36)20-14-10-15-21-28-29(37)22-25(16-11-8-9-13-19-26(35)17-6-4-2)23-31(28)42-34-33(40)32(39)30(38)24-41-34/h22-23,26-27,30,32-34,37-40H,3-21,24H2,1-2H3/t26?,27?,30-,32+,33-,34+/m1/s1
+CH$LINK: PUBCHEM CID:132582908
+CH$LINK: INCHIKEY NYUHMGANIQYFOK-ANHKVXBOSA-N
+CH$LINK: CHEMSPIDER 58197375
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-667
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 16.187 min
+MS$FOCUSED_ION: BASE_PEAK 501.3256
+MS$FOCUSED_ION: PRECURSOR_M/Z 633.3683
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0abi-9300000000-8fae3c63e6042093daf4
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  45.0334 C2H5O+ 1 45.0335 -0.98
+  55.0542 C4H7+ 1 55.0542 0.12
+  57.0335 C3H5O+ 1 57.0335 -0.18
+  61.0283 C2H5O2+ 1 61.0284 -1.78
+  69.0699 C5H9+ 1 69.0699 0.89
+  73.0284 C3H5O2+ 1 73.0284 -0.09
+  83.0856 C6H11+ 1 83.0855 0.86
+  123.0439 C7H7O2+ 1 123.0441 -0.98
+  135.044 C8H7O2+ 1 135.0441 -0.16
+  137.0596 C8H9O2+ 1 137.0597 -0.96
+  161.0593 C10H9O2+ 1 161.0597 -2.73
+  175.0759 C11H11O2+ 1 175.0754 3.3
+PK$NUM_PEAK: 12
+PK$PEAK: m/z int. rel.int.
+  45.0334 229298 284
+  55.0542 522305.4 646
+  57.0335 794391.8 983
+  61.0283 114142.8 141
+  69.0699 262627.4 325
+  73.0284 806558.9 999
+  83.0856 57359.7 71
+  123.0439 127335.6 157
+  135.044 82665 102
+  137.0596 588448.5 728
+  161.0593 132254.8 163
+  175.0759 64906.5 80
+//
diff --git a/Eawag/MSBNK-EAWAG-EC111809.txt b/Eawag/MSBNK-EAWAG-EC111809.txt
new file mode 100644
index 0000000000..7948e40671
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC111809.txt
@@ -0,0 +1,61 @@
+ACCESSION: MSBNK-EAWAG-EC111809
+RECORD_TITLE: Bartoloside E; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1371/journal.pone.0069562.g001
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1118
+CH$NAME: Bartoloside E
+CH$NAME: (2S,3R,4S,5R)-2-(2-(6-chlorododecyl)-5-(7-chloroundecyl)-3-hydroxyphenoxy)tetrahydro-2H-pyran-3,4,5-triol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C34H58Cl2O6
+CH$EXACT_MASS: 632.3610449
+CH$SMILES: CCCCCCC(CCCCCC1=C(C=C(C=C1O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)CCCCCCC(CCCC)Cl)O)Cl
+CH$IUPAC: InChI=1S/C34H58Cl2O6/c1-3-5-7-12-18-27(36)20-14-10-15-21-28-29(37)22-25(16-11-8-9-13-19-26(35)17-6-4-2)23-31(28)42-34-33(40)32(39)30(38)24-41-34/h22-23,26-27,30,32-34,37-40H,3-21,24H2,1-2H3/t26?,27?,30-,32+,33-,34+/m1/s1
+CH$LINK: PUBCHEM CID:132582908
+CH$LINK: INCHIKEY NYUHMGANIQYFOK-ANHKVXBOSA-N
+CH$LINK: CHEMSPIDER 58197375
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-667
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 16.187 min
+MS$FOCUSED_ION: BASE_PEAK 501.3256
+MS$FOCUSED_ION: PRECURSOR_M/Z 633.3683
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0ab9-9200000000-cef37c66ba39fed742a8
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  45.0335 C2H5O+ 1 45.0335 0.63
+  55.0542 C4H7+ 1 55.0542 -0.44
+  57.0335 C3H5O+ 1 57.0335 -0.52
+  69.0334 C4H5O+ 1 69.0335 -0.75
+  69.0698 C5H9+ 1 69.0699 -1.65
+  73.0283 C3H5O2+ 1 73.0284 -0.82
+  123.0438 C7H7O2+ 1 123.0441 -2.22
+  137.0595 C8H9O2+ 1 137.0597 -1.73
+  177.0909 C11H13O2+ 1 177.091 -0.71
+PK$NUM_PEAK: 9
+PK$PEAK: m/z int. rel.int.
+  45.0335 74359.6 99
+  55.0542 484065.4 645
+  57.0335 748983.4 999
+  69.0334 83562.1 111
+  69.0698 184491.2 246
+  73.0283 557304.1 743
+  123.0438 100926.2 134
+  137.0595 394044.4 525
+  177.0909 22908.9 30
+//
diff --git a/Eawag/MSBNK-EAWAG-EC122101.txt b/Eawag/MSBNK-EAWAG-EC122101.txt
new file mode 100644
index 0000000000..df5fdc490a
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC122101.txt
@@ -0,0 +1,45 @@
+ACCESSION: MSBNK-EAWAG-EC122101
+RECORD_TITLE: Spumigin A; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1371/journal.pone.0073618; https://www.jstage.jst.go.jp/article/massspec/48/1/48_1_56/_pdf
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1221
+CH$NAME: Spumigin A
+CH$NAME: (2S,4S)-N-[5-(diaminomethylideneamino)-1-hydroxypentan-2-yl]-1-[(2R)-2-[[(2R)-2-hydroxy-3-(4-hydroxyphenyl)propanoyl]amino]-4-(4-hydroxyphenyl)butanoyl]-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H44N6O7
+CH$EXACT_MASS: 612.3271477
+CH$SMILES: C[C@H]1C[C@@H](C(NC(CO)CCCNC(N)=N)=O)N(C([C@H](NC([C@H](O)CC2=CC=C(O)C=C2)=O)CCC3=CC=C(O)C=C3)=O)C1
+CH$IUPAC: InChI=1S/C31H44N6O7/c1-19-15-26(28(42)35-22(18-38)3-2-14-34-31(32)33)37(17-19)30(44)25(13-8-20-4-9-23(39)10-5-20)36-29(43)27(41)16-21-6-11-24(40)12-7-21/h4-7,9-12,19,22,25-27,38-41H,2-3,8,13-18H2,1H3,(H,35,42)(H,36,43)(H4,32,33,34)/t19-,22?,25+,26-,27+/m0/s1
+CH$LINK: PUBCHEM CID:10651408
+CH$LINK: INCHIKEY LRHLULGPZSFCCN-NBJYBXKZSA-N
+CH$LINK: CHEMSPIDER 8826765
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-647
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.460 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 613.3344
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-03di-0000009000-eaf3cfd748795b161c83
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  613.3342 C31H45N6O7+ 1 613.3344 -0.34
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  613.3342 4730041.5 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC122102.txt b/Eawag/MSBNK-EAWAG-EC122102.txt
new file mode 100644
index 0000000000..29893b4b05
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC122102.txt
@@ -0,0 +1,47 @@
+ACCESSION: MSBNK-EAWAG-EC122102
+RECORD_TITLE: Spumigin A; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1371/journal.pone.0073618; https://www.jstage.jst.go.jp/article/massspec/48/1/48_1_56/_pdf
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1221
+CH$NAME: Spumigin A
+CH$NAME: (2S,4S)-N-[5-(diaminomethylideneamino)-1-hydroxypentan-2-yl]-1-[(2R)-2-[[(2R)-2-hydroxy-3-(4-hydroxyphenyl)propanoyl]amino]-4-(4-hydroxyphenyl)butanoyl]-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H44N6O7
+CH$EXACT_MASS: 612.3271477
+CH$SMILES: C[C@H]1C[C@@H](C(NC(CO)CCCNC(N)=N)=O)N(C([C@H](NC([C@H](O)CC2=CC=C(O)C=C2)=O)CCC3=CC=C(O)C=C3)=O)C1
+CH$IUPAC: InChI=1S/C31H44N6O7/c1-19-15-26(28(42)35-22(18-38)3-2-14-34-31(32)33)37(17-19)30(44)25(13-8-20-4-9-23(39)10-5-20)36-29(43)27(41)16-21-6-11-24(40)12-7-21/h4-7,9-12,19,22,25-27,38-41H,2-3,8,13-18H2,1H3,(H,35,42)(H,36,43)(H4,32,33,34)/t19-,22?,25+,26-,27+/m0/s1
+CH$LINK: PUBCHEM CID:10651408
+CH$LINK: INCHIKEY LRHLULGPZSFCCN-NBJYBXKZSA-N
+CH$LINK: CHEMSPIDER 8826765
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-647
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.460 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 613.3344
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-03di-0000009000-194dda646590501ba30a
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  255.1814 C12H23N4O2+ 2 255.1816 -0.53
+  613.3344 C31H45N6O7+ 1 613.3344 -0.04
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  255.1814 46462.2 11
+  613.3344 3976013 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC122103.txt b/Eawag/MSBNK-EAWAG-EC122103.txt
new file mode 100644
index 0000000000..274b365766
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC122103.txt
@@ -0,0 +1,47 @@
+ACCESSION: MSBNK-EAWAG-EC122103
+RECORD_TITLE: Spumigin A; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1371/journal.pone.0073618; https://www.jstage.jst.go.jp/article/massspec/48/1/48_1_56/_pdf
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1221
+CH$NAME: Spumigin A
+CH$NAME: (2S,4S)-N-[5-(diaminomethylideneamino)-1-hydroxypentan-2-yl]-1-[(2R)-2-[[(2R)-2-hydroxy-3-(4-hydroxyphenyl)propanoyl]amino]-4-(4-hydroxyphenyl)butanoyl]-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H44N6O7
+CH$EXACT_MASS: 612.3271477
+CH$SMILES: C[C@H]1C[C@@H](C(NC(CO)CCCNC(N)=N)=O)N(C([C@H](NC([C@H](O)CC2=CC=C(O)C=C2)=O)CCC3=CC=C(O)C=C3)=O)C1
+CH$IUPAC: InChI=1S/C31H44N6O7/c1-19-15-26(28(42)35-22(18-38)3-2-14-34-31(32)33)37(17-19)30(44)25(13-8-20-4-9-23(39)10-5-20)36-29(43)27(41)16-21-6-11-24(40)12-7-21/h4-7,9-12,19,22,25-27,38-41H,2-3,8,13-18H2,1H3,(H,35,42)(H,36,43)(H4,32,33,34)/t19-,22?,25+,26-,27+/m0/s1
+CH$LINK: PUBCHEM CID:10651408
+CH$LINK: INCHIKEY LRHLULGPZSFCCN-NBJYBXKZSA-N
+CH$LINK: CHEMSPIDER 8826765
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-647
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.460 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 613.3344
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-03di-0000009000-bf0f89401f024b9eb5a0
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  255.1815 C12H23N4O2+ 2 255.1816 -0.29
+  613.3346 C31H45N6O7+ 1 613.3344 0.36
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  255.1815 340430.2 107
+  613.3346 3165749 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC122104.txt b/Eawag/MSBNK-EAWAG-EC122104.txt
new file mode 100644
index 0000000000..aaa05eba68
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC122104.txt
@@ -0,0 +1,71 @@
+ACCESSION: MSBNK-EAWAG-EC122104
+RECORD_TITLE: Spumigin A; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1371/journal.pone.0073618; https://www.jstage.jst.go.jp/article/massspec/48/1/48_1_56/_pdf
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1221
+CH$NAME: Spumigin A
+CH$NAME: (2S,4S)-N-[5-(diaminomethylideneamino)-1-hydroxypentan-2-yl]-1-[(2R)-2-[[(2R)-2-hydroxy-3-(4-hydroxyphenyl)propanoyl]amino]-4-(4-hydroxyphenyl)butanoyl]-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H44N6O7
+CH$EXACT_MASS: 612.3271477
+CH$SMILES: C[C@H]1C[C@@H](C(NC(CO)CCCNC(N)=N)=O)N(C([C@H](NC([C@H](O)CC2=CC=C(O)C=C2)=O)CCC3=CC=C(O)C=C3)=O)C1
+CH$IUPAC: InChI=1S/C31H44N6O7/c1-19-15-26(28(42)35-22(18-38)3-2-14-34-31(32)33)37(17-19)30(44)25(13-8-20-4-9-23(39)10-5-20)36-29(43)27(41)16-21-6-11-24(40)12-7-21/h4-7,9-12,19,22,25-27,38-41H,2-3,8,13-18H2,1H3,(H,35,42)(H,36,43)(H4,32,33,34)/t19-,22?,25+,26-,27+/m0/s1
+CH$LINK: PUBCHEM CID:10651408
+CH$LINK: INCHIKEY LRHLULGPZSFCCN-NBJYBXKZSA-N
+CH$LINK: CHEMSPIDER 8826765
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-647
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.460 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 613.3344
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-08fr-0160009000-00e031fb03b3d2d88cdc
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  102.0915 C5H12NO+ 1 102.0913 1.12
+  133.0647 C9H9O+ 1 133.0648 -0.65
+  154.0976 C7H12N3O+ 1 154.0975 0.51
+  155.0811 C7H11N2O2+ 1 155.0815 -2.77
+  171.1236 C7H15N4O+ 1 171.124 -2.63
+  172.1077 C7H14N3O2+ 1 172.1081 -1.77
+  182.0811 C9H12NO3+ 1 182.0812 -0.36
+  208.0964 C11H14NO3+ 2 208.0968 -1.89
+  230.1861 C11H24N3O2+ 2 230.1863 -0.88
+  238.1548 C12H20N3O2+ 2 238.155 -0.66
+  255.1814 C12H23N4O2+ 2 255.1816 -0.59
+  272.2076 C12H26N5O2+ 2 272.2081 -1.81
+  314.1387 C18H20NO4+ 3 314.1387 -0.02
+  613.3345 C31H45N6O7+ 1 613.3344 0.16
+PK$NUM_PEAK: 14
+PK$PEAK: m/z int. rel.int.
+  102.0915 41186.6 20
+  133.0647 31965.1 15
+  154.0976 98803.2 48
+  155.0811 29072.8 14
+  171.1236 33336.2 16
+  172.1077 31891.2 15
+  182.0811 67116.6 33
+  208.0964 68917.9 34
+  230.1861 71791.4 35
+  238.1548 30863.7 15
+  255.1814 1050751.1 521
+  272.2076 122966.2 60
+  314.1387 69032.4 34
+  613.3345 2014407.5 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC122105.txt b/Eawag/MSBNK-EAWAG-EC122105.txt
new file mode 100644
index 0000000000..dc874b35a4
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC122105.txt
@@ -0,0 +1,95 @@
+ACCESSION: MSBNK-EAWAG-EC122105
+RECORD_TITLE: Spumigin A; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1371/journal.pone.0073618; https://www.jstage.jst.go.jp/article/massspec/48/1/48_1_56/_pdf
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1221
+CH$NAME: Spumigin A
+CH$NAME: (2S,4S)-N-[5-(diaminomethylideneamino)-1-hydroxypentan-2-yl]-1-[(2R)-2-[[(2R)-2-hydroxy-3-(4-hydroxyphenyl)propanoyl]amino]-4-(4-hydroxyphenyl)butanoyl]-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H44N6O7
+CH$EXACT_MASS: 612.3271477
+CH$SMILES: C[C@H]1C[C@@H](C(NC(CO)CCCNC(N)=N)=O)N(C([C@H](NC([C@H](O)CC2=CC=C(O)C=C2)=O)CCC3=CC=C(O)C=C3)=O)C1
+CH$IUPAC: InChI=1S/C31H44N6O7/c1-19-15-26(28(42)35-22(18-38)3-2-14-34-31(32)33)37(17-19)30(44)25(13-8-20-4-9-23(39)10-5-20)36-29(43)27(41)16-21-6-11-24(40)12-7-21/h4-7,9-12,19,22,25-27,38-41H,2-3,8,13-18H2,1H3,(H,35,42)(H,36,43)(H4,32,33,34)/t19-,22?,25+,26-,27+/m0/s1
+CH$LINK: PUBCHEM CID:10651408
+CH$LINK: INCHIKEY LRHLULGPZSFCCN-NBJYBXKZSA-N
+CH$LINK: CHEMSPIDER 8826765
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-647
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.460 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 613.3344
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0a59-5970000000-053042028591ef41b01f
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  44.0494 C2H6N+ 1 44.0495 -2.63
+  84.0808 C5H10N+ 1 84.0808 -0.04
+  101.1073 C5H13N2+ 1 101.1073 -0.05
+  102.0913 C5H12NO+ 1 102.0913 -0.15
+  107.0491 C7H7O+ 1 107.0491 -0.73
+  119.118 C5H15N2O+ 1 119.1179 0.78
+  127.0865 C6H11N2O+ 1 127.0866 -0.57
+  129.1022 C6H13N2O+ 1 129.1022 -0.03
+  130.0863 C6H12NO2+ 1 130.0863 0.33
+  133.0647 C9H9O+ 1 133.0648 -0.65
+  144.1131 C6H14N3O+ 1 144.1131 -0.36
+  150.0911 C9H12NO+ 1 150.0913 -1.46
+  154.0975 C7H12N3O+ 1 154.0975 0.02
+  155.0815 C7H11N2O2+ 1 155.0815 -0.22
+  164.0702 C9H10NO2+ 1 164.0706 -2.67
+  171.1238 C7H15N4O+ 1 171.124 -1.21
+  172.1077 C7H14N3O2+ 1 172.1081 -1.95
+  182.0811 C9H12NO3+ 1 182.0812 -0.36
+  208.0969 C11H14NO3+ 1 208.0968 0.24
+  212.1758 C11H22N3O+ 1 212.1757 0.23
+  230.1861 C11H24N3O2+ 2 230.1863 -0.94
+  238.1546 C12H20N3O2+ 2 238.155 -1.69
+  255.1815 C12H23N4O2+ 1 255.1816 -0.23
+  272.2079 C12H26N5O2+ 2 272.2081 -0.8
+  314.1384 C18H20NO4+ 2 314.1387 -0.99
+  613.3366 C31H45N6O7+ 1 613.3344 3.55
+PK$NUM_PEAK: 26
+PK$PEAK: m/z int. rel.int.
+  44.0494 36752.5 28
+  84.0808 1307873.1 999
+  101.1073 43995.1 33
+  102.0913 247859 189
+  107.0491 217275.8 165
+  119.118 29109.1 22
+  127.0865 22247.3 16
+  129.1022 30440.2 23
+  130.0863 38354.1 29
+  133.0647 180941.1 138
+  144.1131 215448.9 164
+  150.0911 82662 63
+  154.0975 406024.3 310
+  155.0815 188298.1 143
+  164.0702 43986.8 33
+  171.1238 34481.8 26
+  172.1077 57368.1 43
+  182.0811 246450.6 188
+  208.0969 390515.4 298
+  212.1758 100661.7 76
+  230.1861 141812 108
+  238.1546 32493.8 24
+  255.1815 883729.4 675
+  272.2079 164575.8 125
+  314.1384 86191.6 65
+  613.3366 182759.2 139
+//
diff --git a/Eawag/MSBNK-EAWAG-EC122106.txt b/Eawag/MSBNK-EAWAG-EC122106.txt
new file mode 100644
index 0000000000..ab316a5584
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC122106.txt
@@ -0,0 +1,87 @@
+ACCESSION: MSBNK-EAWAG-EC122106
+RECORD_TITLE: Spumigin A; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1371/journal.pone.0073618; https://www.jstage.jst.go.jp/article/massspec/48/1/48_1_56/_pdf
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1221
+CH$NAME: Spumigin A
+CH$NAME: (2S,4S)-N-[5-(diaminomethylideneamino)-1-hydroxypentan-2-yl]-1-[(2R)-2-[[(2R)-2-hydroxy-3-(4-hydroxyphenyl)propanoyl]amino]-4-(4-hydroxyphenyl)butanoyl]-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H44N6O7
+CH$EXACT_MASS: 612.3271477
+CH$SMILES: C[C@H]1C[C@@H](C(NC(CO)CCCNC(N)=N)=O)N(C([C@H](NC([C@H](O)CC2=CC=C(O)C=C2)=O)CCC3=CC=C(O)C=C3)=O)C1
+CH$IUPAC: InChI=1S/C31H44N6O7/c1-19-15-26(28(42)35-22(18-38)3-2-14-34-31(32)33)37(17-19)30(44)25(13-8-20-4-9-23(39)10-5-20)36-29(43)27(41)16-21-6-11-24(40)12-7-21/h4-7,9-12,19,22,25-27,38-41H,2-3,8,13-18H2,1H3,(H,35,42)(H,36,43)(H4,32,33,34)/t19-,22?,25+,26-,27+/m0/s1
+CH$LINK: PUBCHEM CID:10651408
+CH$LINK: INCHIKEY LRHLULGPZSFCCN-NBJYBXKZSA-N
+CH$LINK: CHEMSPIDER 8826765
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-647
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.460 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 613.3344
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-001i-8910000000-80085f5b9b3ef02ee048
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  44.0494 C2H6N+ 1 44.0495 -1.42
+  84.0808 C5H10N+ 1 84.0808 -0.22
+  101.1072 C5H13N2+ 1 101.1073 -0.8
+  102.0913 C5H12NO+ 1 102.0913 0
+  107.0491 C7H7O+ 1 107.0491 -0.38
+  112.0758 C6H10NO+ 1 112.0757 1.4
+  119.1178 C5H15N2O+ 1 119.1179 -0.37
+  126.1026 C6H12N3+ 1 126.1026 0.2
+  127.0867 C6H11N2O+ 1 127.0866 0.69
+  129.1022 C6H13N2O+ 1 129.1022 -0.27
+  130.0864 C6H12NO2+ 1 130.0863 0.92
+  133.0647 C9H9O+ 1 133.0648 -0.54
+  137.0594 C8H9O2+ 1 137.0597 -2.22
+  144.113 C6H14N3O+ 1 144.1131 -0.89
+  150.0913 C9H12NO+ 1 150.0913 -0.13
+  154.0976 C7H12N3O+ 1 154.0975 0.42
+  155.0812 C7H11N2O2+ 1 155.0815 -1.69
+  164.07 C9H10NO2+ 2 164.0706 -3.41
+  182.081 C9H12NO3+ 1 182.0812 -0.86
+  208.0967 C11H14NO3+ 1 208.0968 -0.79
+  255.1812 C12H23N4O2+ 2 255.1816 -1.19
+  272.2075 C12H26N5O2+ 2 272.2081 -2.14
+PK$NUM_PEAK: 22
+PK$PEAK: m/z int. rel.int.
+  44.0494 140984.4 58
+  84.0808 2390570 999
+  101.1072 35286.7 14
+  102.0913 343153.9 143
+  107.0491 738157.9 308
+  112.0758 36728.7 15
+  119.1178 36615.1 15
+  126.1026 88330.7 36
+  127.0867 39474.2 16
+  129.1022 41317.2 17
+  130.0864 58624.2 24
+  133.0647 267663.9 111
+  137.0594 27424.4 11
+  144.113 320505.9 133
+  150.0913 111187.7 46
+  154.0976 330150.8 137
+  155.0812 164074.1 68
+  164.07 59161.1 24
+  182.081 115149.2 48
+  208.0967 317554.4 132
+  255.1812 178466.8 74
+  272.2075 36148.5 15
+//
diff --git a/Eawag/MSBNK-EAWAG-EC122107.txt b/Eawag/MSBNK-EAWAG-EC122107.txt
new file mode 100644
index 0000000000..591e96fdf2
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC122107.txt
@@ -0,0 +1,79 @@
+ACCESSION: MSBNK-EAWAG-EC122107
+RECORD_TITLE: Spumigin A; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1371/journal.pone.0073618; https://www.jstage.jst.go.jp/article/massspec/48/1/48_1_56/_pdf
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1221
+CH$NAME: Spumigin A
+CH$NAME: (2S,4S)-N-[5-(diaminomethylideneamino)-1-hydroxypentan-2-yl]-1-[(2R)-2-[[(2R)-2-hydroxy-3-(4-hydroxyphenyl)propanoyl]amino]-4-(4-hydroxyphenyl)butanoyl]-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H44N6O7
+CH$EXACT_MASS: 612.3271477
+CH$SMILES: C[C@H]1C[C@@H](C(NC(CO)CCCNC(N)=N)=O)N(C([C@H](NC([C@H](O)CC2=CC=C(O)C=C2)=O)CCC3=CC=C(O)C=C3)=O)C1
+CH$IUPAC: InChI=1S/C31H44N6O7/c1-19-15-26(28(42)35-22(18-38)3-2-14-34-31(32)33)37(17-19)30(44)25(13-8-20-4-9-23(39)10-5-20)36-29(43)27(41)16-21-6-11-24(40)12-7-21/h4-7,9-12,19,22,25-27,38-41H,2-3,8,13-18H2,1H3,(H,35,42)(H,36,43)(H4,32,33,34)/t19-,22?,25+,26-,27+/m0/s1
+CH$LINK: PUBCHEM CID:10651408
+CH$LINK: INCHIKEY LRHLULGPZSFCCN-NBJYBXKZSA-N
+CH$LINK: CHEMSPIDER 8826765
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-647
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.460 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 613.3344
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-001i-9700000000-580a10e53c2d239786e9
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  44.0495 C2H6N+ 1 44.0495 -0.38
+  84.0808 C5H10N+ 1 84.0808 -0.22
+  85.065 C5H9O+ 1 85.0648 1.99
+  102.0913 C5H12NO+ 1 102.0913 -0.37
+  107.0491 C7H7O+ 1 107.0491 -0.52
+  119.0489 C8H7O+ 1 119.0491 -1.79
+  119.1178 C5H15N2O+ 1 119.1179 -0.37
+  126.1024 C6H12N3+ 1 126.1026 -1.26
+  127.0862 C6H11N2O+ 1 127.0866 -3.03
+  130.0865 C6H12NO2+ 1 130.0863 1.74
+  133.0647 C9H9O+ 1 133.0648 -0.65
+  137.0595 C8H9O2+ 1 137.0597 -1.44
+  144.113 C6H14N3O+ 1 144.1131 -1.1
+  150.0909 C9H12NO+ 1 150.0913 -2.98
+  154.0973 C7H12N3O+ 1 154.0975 -1.27
+  155.0812 C7H11N2O2+ 1 155.0815 -2.08
+  164.0707 C9H10NO2+ 1 164.0706 0.49
+  208.0968 C11H14NO3+ 1 208.0968 -0.2
+PK$NUM_PEAK: 18
+PK$PEAK: m/z int. rel.int.
+  44.0495 177035.1 63
+  84.0808 2797177.8 999
+  85.065 30950.9 11
+  102.0913 336273.2 120
+  107.0491 1173256.8 419
+  119.0489 39930.3 14
+  119.1178 45647.8 16
+  126.1024 69894.3 24
+  127.0862 37253.7 13
+  130.0865 42391.1 15
+  133.0647 286093.5 102
+  137.0595 67278.3 24
+  144.113 218932.2 78
+  150.0909 51045.5 18
+  154.0973 127586 45
+  155.0812 62050.8 22
+  164.0707 44487.9 15
+  208.0968 66751.5 23
+//
diff --git a/Eawag/MSBNK-EAWAG-EC122108.txt b/Eawag/MSBNK-EAWAG-EC122108.txt
new file mode 100644
index 0000000000..390f4787e1
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC122108.txt
@@ -0,0 +1,71 @@
+ACCESSION: MSBNK-EAWAG-EC122108
+RECORD_TITLE: Spumigin A; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1371/journal.pone.0073618; https://www.jstage.jst.go.jp/article/massspec/48/1/48_1_56/_pdf
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1221
+CH$NAME: Spumigin A
+CH$NAME: (2S,4S)-N-[5-(diaminomethylideneamino)-1-hydroxypentan-2-yl]-1-[(2R)-2-[[(2R)-2-hydroxy-3-(4-hydroxyphenyl)propanoyl]amino]-4-(4-hydroxyphenyl)butanoyl]-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H44N6O7
+CH$EXACT_MASS: 612.3271477
+CH$SMILES: C[C@H]1C[C@@H](C(NC(CO)CCCNC(N)=N)=O)N(C([C@H](NC([C@H](O)CC2=CC=C(O)C=C2)=O)CCC3=CC=C(O)C=C3)=O)C1
+CH$IUPAC: InChI=1S/C31H44N6O7/c1-19-15-26(28(42)35-22(18-38)3-2-14-34-31(32)33)37(17-19)30(44)25(13-8-20-4-9-23(39)10-5-20)36-29(43)27(41)16-21-6-11-24(40)12-7-21/h4-7,9-12,19,22,25-27,38-41H,2-3,8,13-18H2,1H3,(H,35,42)(H,36,43)(H4,32,33,34)/t19-,22?,25+,26-,27+/m0/s1
+CH$LINK: PUBCHEM CID:10651408
+CH$LINK: INCHIKEY LRHLULGPZSFCCN-NBJYBXKZSA-N
+CH$LINK: CHEMSPIDER 8826765
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-647
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.460 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 613.3344
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-053r-9600000000-4e147ac25b63a3ac3d28
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  44.0494 C2H6N+ 1 44.0495 -1.25
+  56.0494 C3H6N+ 1 56.0495 -0.82
+  67.0541 C5H7+ 1 67.0542 -1.5
+  84.0807 C5H10N+ 1 84.0808 -0.4
+  85.0649 C5H9O+ 1 85.0648 0.83
+  91.0542 C7H7+ 1 91.0542 -0.23
+  102.0913 C5H12NO+ 1 102.0913 -0.3
+  107.0491 C7H7O+ 1 107.0491 -0.66
+  112.0759 C6H10NO+ 1 112.0757 2.08
+  119.0491 C8H7O+ 1 119.0491 -0.7
+  133.0646 C9H9O+ 1 133.0648 -1.22
+  137.0599 C8H9O2+ 1 137.0597 1.56
+  144.1128 C6H14N3O+ 1 144.1131 -2.37
+  154.0976 C7H12N3O+ 1 154.0975 0.51
+PK$NUM_PEAK: 14
+PK$PEAK: m/z int. rel.int.
+  44.0494 168114.5 57
+  56.0494 42955.1 14
+  67.0541 56979.6 19
+  84.0807 2900709.5 999
+  85.0649 38577.3 13
+  91.0542 33485.4 11
+  102.0913 263929.7 90
+  107.0491 1589132.1 547
+  112.0759 37102 12
+  119.0491 61704.2 21
+  133.0646 203881.4 70
+  137.0599 61216.9 21
+  144.1128 103702.4 35
+  154.0976 42504.2 14
+//
diff --git a/Eawag/MSBNK-EAWAG-EC122109.txt b/Eawag/MSBNK-EAWAG-EC122109.txt
new file mode 100644
index 0000000000..e3b8526a48
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC122109.txt
@@ -0,0 +1,67 @@
+ACCESSION: MSBNK-EAWAG-EC122109
+RECORD_TITLE: Spumigin A; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1371/journal.pone.0073618; https://www.jstage.jst.go.jp/article/massspec/48/1/48_1_56/_pdf
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1221
+CH$NAME: Spumigin A
+CH$NAME: (2S,4S)-N-[5-(diaminomethylideneamino)-1-hydroxypentan-2-yl]-1-[(2R)-2-[[(2R)-2-hydroxy-3-(4-hydroxyphenyl)propanoyl]amino]-4-(4-hydroxyphenyl)butanoyl]-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H44N6O7
+CH$EXACT_MASS: 612.3271477
+CH$SMILES: C[C@H]1C[C@@H](C(NC(CO)CCCNC(N)=N)=O)N(C([C@H](NC([C@H](O)CC2=CC=C(O)C=C2)=O)CCC3=CC=C(O)C=C3)=O)C1
+CH$IUPAC: InChI=1S/C31H44N6O7/c1-19-15-26(28(42)35-22(18-38)3-2-14-34-31(32)33)37(17-19)30(44)25(13-8-20-4-9-23(39)10-5-20)36-29(43)27(41)16-21-6-11-24(40)12-7-21/h4-7,9-12,19,22,25-27,38-41H,2-3,8,13-18H2,1H3,(H,35,42)(H,36,43)(H4,32,33,34)/t19-,22?,25+,26-,27+/m0/s1
+CH$LINK: PUBCHEM CID:10651408
+CH$LINK: INCHIKEY LRHLULGPZSFCCN-NBJYBXKZSA-N
+CH$LINK: CHEMSPIDER 8826765
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-647
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.460 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 613.3344
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-053r-9600000000-ec99643edc087fd91a53
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  44.0495 C2H6N+ 1 44.0495 -0.47
+  56.0495 C3H6N+ 1 56.0495 0.34
+  67.0541 C5H7+ 1 67.0542 -1.16
+  84.0807 C5H10N+ 1 84.0808 -0.31
+  85.0646 C5H9O+ 1 85.0648 -1.69
+  91.0542 C7H7+ 1 91.0542 0.02
+  102.0913 C5H12NO+ 1 102.0913 0
+  107.0491 C7H7O+ 1 107.0491 -0.52
+  119.0491 C8H7O+ 1 119.0491 -0.44
+  133.0646 C9H9O+ 1 133.0648 -1.8
+  137.0596 C8H9O2+ 1 137.0597 -0.55
+  144.1127 C6H14N3O+ 1 144.1131 -3.01
+PK$NUM_PEAK: 12
+PK$PEAK: m/z int. rel.int.
+  44.0495 33705.5 13
+  56.0495 33234.3 13
+  67.0541 68675.5 28
+  84.0807 2440814 999
+  85.0646 37028.1 15
+  91.0542 81335.8 33
+  102.0913 176629.6 72
+  107.0491 1591806.1 651
+  119.0491 104883.5 42
+  133.0646 152408.2 62
+  137.0596 35835.9 14
+  144.1127 25532.4 10
+//
diff --git a/Eawag/MSBNK-EAWAG-EC122151.txt b/Eawag/MSBNK-EAWAG-EC122151.txt
new file mode 100644
index 0000000000..1fe9272a39
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC122151.txt
@@ -0,0 +1,45 @@
+ACCESSION: MSBNK-EAWAG-EC122151
+RECORD_TITLE: Spumigin A; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M-H]-; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1371/journal.pone.0073618; https://www.jstage.jst.go.jp/article/massspec/48/1/48_1_56/_pdf
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1221
+CH$NAME: Spumigin A
+CH$NAME: (2S,4S)-N-[5-(diaminomethylideneamino)-1-hydroxypentan-2-yl]-1-[(2R)-2-[[(2R)-2-hydroxy-3-(4-hydroxyphenyl)propanoyl]amino]-4-(4-hydroxyphenyl)butanoyl]-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H44N6O7
+CH$EXACT_MASS: 612.3271477
+CH$SMILES: C[C@H]1C[C@@H](C(NC(CO)CCCNC(N)=N)=O)N(C([C@H](NC([C@H](O)CC2=CC=C(O)C=C2)=O)CCC3=CC=C(O)C=C3)=O)C1
+CH$IUPAC: InChI=1S/C31H44N6O7/c1-19-15-26(28(42)35-22(18-38)3-2-14-34-31(32)33)37(17-19)30(44)25(13-8-20-4-9-23(39)10-5-20)36-29(43)27(41)16-21-6-11-24(40)12-7-21/h4-7,9-12,19,22,25-27,38-41H,2-3,8,13-18H2,1H3,(H,35,42)(H,36,43)(H4,32,33,34)/t19-,22?,25+,26-,27+/m0/s1
+CH$LINK: PUBCHEM CID:10651408
+CH$LINK: INCHIKEY LRHLULGPZSFCCN-NBJYBXKZSA-N
+CH$LINK: CHEMSPIDER 8826765
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-645
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.446 min
+MS$FOCUSED_ION: BASE_PEAK 146.9383
+MS$FOCUSED_ION: PRECURSOR_M/Z 611.3199
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-03di-0000009000-5ecfff52b681b552e8f1
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  611.3188 C31H43N6O7- 1 611.3199 -1.74
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  611.3188 409087.6 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC122152.txt b/Eawag/MSBNK-EAWAG-EC122152.txt
new file mode 100644
index 0000000000..815f7a3d8c
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC122152.txt
@@ -0,0 +1,45 @@
+ACCESSION: MSBNK-EAWAG-EC122152
+RECORD_TITLE: Spumigin A; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M-H]-; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1371/journal.pone.0073618; https://www.jstage.jst.go.jp/article/massspec/48/1/48_1_56/_pdf
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1221
+CH$NAME: Spumigin A
+CH$NAME: (2S,4S)-N-[5-(diaminomethylideneamino)-1-hydroxypentan-2-yl]-1-[(2R)-2-[[(2R)-2-hydroxy-3-(4-hydroxyphenyl)propanoyl]amino]-4-(4-hydroxyphenyl)butanoyl]-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H44N6O7
+CH$EXACT_MASS: 612.3271477
+CH$SMILES: C[C@H]1C[C@@H](C(NC(CO)CCCNC(N)=N)=O)N(C([C@H](NC([C@H](O)CC2=CC=C(O)C=C2)=O)CCC3=CC=C(O)C=C3)=O)C1
+CH$IUPAC: InChI=1S/C31H44N6O7/c1-19-15-26(28(42)35-22(18-38)3-2-14-34-31(32)33)37(17-19)30(44)25(13-8-20-4-9-23(39)10-5-20)36-29(43)27(41)16-21-6-11-24(40)12-7-21/h4-7,9-12,19,22,25-27,38-41H,2-3,8,13-18H2,1H3,(H,35,42)(H,36,43)(H4,32,33,34)/t19-,22?,25+,26-,27+/m0/s1
+CH$LINK: PUBCHEM CID:10651408
+CH$LINK: INCHIKEY LRHLULGPZSFCCN-NBJYBXKZSA-N
+CH$LINK: CHEMSPIDER 8826765
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-645
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.446 min
+MS$FOCUSED_ION: BASE_PEAK 146.9383
+MS$FOCUSED_ION: PRECURSOR_M/Z 611.3199
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-03di-0000009000-e6414cf3dbd3baca0730
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  611.3183 C31H43N6O7- 1 611.3199 -2.54
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  611.3183 340785.9 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC122153.txt b/Eawag/MSBNK-EAWAG-EC122153.txt
new file mode 100644
index 0000000000..2873a9f5d8
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC122153.txt
@@ -0,0 +1,47 @@
+ACCESSION: MSBNK-EAWAG-EC122153
+RECORD_TITLE: Spumigin A; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M-H]-; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1371/journal.pone.0073618; https://www.jstage.jst.go.jp/article/massspec/48/1/48_1_56/_pdf
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1221
+CH$NAME: Spumigin A
+CH$NAME: (2S,4S)-N-[5-(diaminomethylideneamino)-1-hydroxypentan-2-yl]-1-[(2R)-2-[[(2R)-2-hydroxy-3-(4-hydroxyphenyl)propanoyl]amino]-4-(4-hydroxyphenyl)butanoyl]-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H44N6O7
+CH$EXACT_MASS: 612.3271477
+CH$SMILES: C[C@H]1C[C@@H](C(NC(CO)CCCNC(N)=N)=O)N(C([C@H](NC([C@H](O)CC2=CC=C(O)C=C2)=O)CCC3=CC=C(O)C=C3)=O)C1
+CH$IUPAC: InChI=1S/C31H44N6O7/c1-19-15-26(28(42)35-22(18-38)3-2-14-34-31(32)33)37(17-19)30(44)25(13-8-20-4-9-23(39)10-5-20)36-29(43)27(41)16-21-6-11-24(40)12-7-21/h4-7,9-12,19,22,25-27,38-41H,2-3,8,13-18H2,1H3,(H,35,42)(H,36,43)(H4,32,33,34)/t19-,22?,25+,26-,27+/m0/s1
+CH$LINK: PUBCHEM CID:10651408
+CH$LINK: INCHIKEY LRHLULGPZSFCCN-NBJYBXKZSA-N
+CH$LINK: CHEMSPIDER 8826765
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-645
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.446 min
+MS$FOCUSED_ION: BASE_PEAK 146.9383
+MS$FOCUSED_ION: PRECURSOR_M/Z 611.3199
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-03di-0001009000-003a4e0a544747aa8cb7
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  322.1085 C17H14N4O3- 3 322.1071 4.15
+  611.3189 C31H43N6O7- 1 611.3199 -1.54
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  322.1085 23089.5 120
+  611.3189 190654.7 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC122201.txt b/Eawag/MSBNK-EAWAG-EC122201.txt
new file mode 100644
index 0000000000..c90754ae0e
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC122201.txt
@@ -0,0 +1,45 @@
+ACCESSION: MSBNK-EAWAG-EC122201
+RECORD_TITLE: Dihydrospumigin K (and isomers); LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], F. Rios Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1093/femsec/fiaa243
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 1222
+CH$NAME: Dihydrospumigin K (and isomers)
+CH$NAME: (2S)-N-[(2R)-5-(diaminomethylideneamino)-1-hydroxypentan-2-yl]-1-[(2R)-2-[[2-hydroxy-4-(4-hydroxyphenyl)butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H44N6O7
+CH$EXACT_MASS: 612.3271477
+CH$SMILES: OC1=CC=C(CCC(O)C(N[C@H](CC2=CC=C(O)C=C2)C(N3[C@H](C(N[C@H](CCCNC(N)=N)CO)=O)CC(C)C3)=O)=O)C=C1
+CH$IUPAC: InChI=1S/C31H44N6O7/c1-19-15-26(28(42)35-22(18-38)3-2-14-34-31(32)33)37(17-19)30(44)25(16-21-6-11-24(40)12-7-21)36-29(43)27(41)13-8-20-4-9-23(39)10-5-20/h4-7,9-12,19,22,25-27,38-41H,2-3,8,13-18H2,1H3,(H,35,42)(H,36,43)(H4,32,33,34)/t19?,22-,25-,26+,27?/m1/s1
+CH$LINK: PUBCHEM CID:139589787
+CH$LINK: INCHIKEY OYLLIRIQZZWJCJ-CBJUXADFSA-N
+CH$LINK: CHEMSPIDER 78439000
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 64-647
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.366 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 613.3344
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03di-0000009000-a9870ef699660c728d8a
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  613.3341 C31H45N6O7+ 1 613.3344 -0.57
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  613.3341 2889700 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC122202.txt b/Eawag/MSBNK-EAWAG-EC122202.txt
new file mode 100644
index 0000000000..56ef7b9909
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC122202.txt
@@ -0,0 +1,45 @@
+ACCESSION: MSBNK-EAWAG-EC122202
+RECORD_TITLE: Dihydrospumigin K (and isomers); LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], F. Rios Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1093/femsec/fiaa243
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 1222
+CH$NAME: Dihydrospumigin K (and isomers)
+CH$NAME: (2S)-N-[(2R)-5-(diaminomethylideneamino)-1-hydroxypentan-2-yl]-1-[(2R)-2-[[2-hydroxy-4-(4-hydroxyphenyl)butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H44N6O7
+CH$EXACT_MASS: 612.3271477
+CH$SMILES: OC1=CC=C(CCC(O)C(N[C@H](CC2=CC=C(O)C=C2)C(N3[C@H](C(N[C@H](CCCNC(N)=N)CO)=O)CC(C)C3)=O)=O)C=C1
+CH$IUPAC: InChI=1S/C31H44N6O7/c1-19-15-26(28(42)35-22(18-38)3-2-14-34-31(32)33)37(17-19)30(44)25(16-21-6-11-24(40)12-7-21)36-29(43)27(41)13-8-20-4-9-23(39)10-5-20/h4-7,9-12,19,22,25-27,38-41H,2-3,8,13-18H2,1H3,(H,35,42)(H,36,43)(H4,32,33,34)/t19?,22-,25-,26+,27?/m1/s1
+CH$LINK: PUBCHEM CID:139589787
+CH$LINK: INCHIKEY OYLLIRIQZZWJCJ-CBJUXADFSA-N
+CH$LINK: CHEMSPIDER 78439000
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 64-647
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.366 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 613.3344
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03di-0000009000-3329ea246a1cf314c293
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  613.3345 C31H45N6O7+ 1 613.3344 0.12
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  613.3345 2662059.8 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC122203.txt b/Eawag/MSBNK-EAWAG-EC122203.txt
new file mode 100644
index 0000000000..2ccbc8496b
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC122203.txt
@@ -0,0 +1,47 @@
+ACCESSION: MSBNK-EAWAG-EC122203
+RECORD_TITLE: Dihydrospumigin K (and isomers); LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], F. Rios Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1093/femsec/fiaa243
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 1222
+CH$NAME: Dihydrospumigin K (and isomers)
+CH$NAME: (2S)-N-[(2R)-5-(diaminomethylideneamino)-1-hydroxypentan-2-yl]-1-[(2R)-2-[[2-hydroxy-4-(4-hydroxyphenyl)butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H44N6O7
+CH$EXACT_MASS: 612.3271477
+CH$SMILES: OC1=CC=C(CCC(O)C(N[C@H](CC2=CC=C(O)C=C2)C(N3[C@H](C(N[C@H](CCCNC(N)=N)CO)=O)CC(C)C3)=O)=O)C=C1
+CH$IUPAC: InChI=1S/C31H44N6O7/c1-19-15-26(28(42)35-22(18-38)3-2-14-34-31(32)33)37(17-19)30(44)25(16-21-6-11-24(40)12-7-21)36-29(43)27(41)13-8-20-4-9-23(39)10-5-20/h4-7,9-12,19,22,25-27,38-41H,2-3,8,13-18H2,1H3,(H,35,42)(H,36,43)(H4,32,33,34)/t19?,22-,25-,26+,27?/m1/s1
+CH$LINK: PUBCHEM CID:139589787
+CH$LINK: INCHIKEY OYLLIRIQZZWJCJ-CBJUXADFSA-N
+CH$LINK: CHEMSPIDER 78439000
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 64-647
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.366 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 613.3344
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03di-0000009000-dfe70abe4c60f906a4cc
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  255.1814 C12H23N4O2+ 2 255.1816 -0.53
+  613.3347 C31H45N6O7+ 1 613.3344 0.42
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  255.1814 107889.1 46
+  613.3347 2327970.2 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC122204.txt b/Eawag/MSBNK-EAWAG-EC122204.txt
new file mode 100644
index 0000000000..51790069c7
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC122204.txt
@@ -0,0 +1,49 @@
+ACCESSION: MSBNK-EAWAG-EC122204
+RECORD_TITLE: Dihydrospumigin K (and isomers); LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], F. Rios Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1093/femsec/fiaa243
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 1222
+CH$NAME: Dihydrospumigin K (and isomers)
+CH$NAME: (2S)-N-[(2R)-5-(diaminomethylideneamino)-1-hydroxypentan-2-yl]-1-[(2R)-2-[[2-hydroxy-4-(4-hydroxyphenyl)butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H44N6O7
+CH$EXACT_MASS: 612.3271477
+CH$SMILES: OC1=CC=C(CCC(O)C(N[C@H](CC2=CC=C(O)C=C2)C(N3[C@H](C(N[C@H](CCCNC(N)=N)CO)=O)CC(C)C3)=O)=O)C=C1
+CH$IUPAC: InChI=1S/C31H44N6O7/c1-19-15-26(28(42)35-22(18-38)3-2-14-34-31(32)33)37(17-19)30(44)25(16-21-6-11-24(40)12-7-21)36-29(43)27(41)13-8-20-4-9-23(39)10-5-20/h4-7,9-12,19,22,25-27,38-41H,2-3,8,13-18H2,1H3,(H,35,42)(H,36,43)(H4,32,33,34)/t19?,22-,25-,26+,27?/m1/s1
+CH$LINK: PUBCHEM CID:139589787
+CH$LINK: INCHIKEY OYLLIRIQZZWJCJ-CBJUXADFSA-N
+CH$LINK: CHEMSPIDER 78439000
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 64-647
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.366 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 613.3344
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03di-0020009000-5241afd4b0245aa18ac8
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  255.1812 C12H23N4O2+ 2 255.1816 -1.19
+  314.1389 C18H20NO4+ 2 314.1387 0.74
+  613.3352 C31H45N6O7+ 1 613.3344 1.22
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  255.1812 364233.1 247
+  314.1389 46716.5 31
+  613.3352 1471900 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC122205.txt b/Eawag/MSBNK-EAWAG-EC122205.txt
new file mode 100644
index 0000000000..3706c3b9d3
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC122205.txt
@@ -0,0 +1,59 @@
+ACCESSION: MSBNK-EAWAG-EC122205
+RECORD_TITLE: Dihydrospumigin K (and isomers); LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], F. Rios Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1093/femsec/fiaa243
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 1222
+CH$NAME: Dihydrospumigin K (and isomers)
+CH$NAME: (2S)-N-[(2R)-5-(diaminomethylideneamino)-1-hydroxypentan-2-yl]-1-[(2R)-2-[[2-hydroxy-4-(4-hydroxyphenyl)butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H44N6O7
+CH$EXACT_MASS: 612.3271477
+CH$SMILES: OC1=CC=C(CCC(O)C(N[C@H](CC2=CC=C(O)C=C2)C(N3[C@H](C(N[C@H](CCCNC(N)=N)CO)=O)CC(C)C3)=O)=O)C=C1
+CH$IUPAC: InChI=1S/C31H44N6O7/c1-19-15-26(28(42)35-22(18-38)3-2-14-34-31(32)33)37(17-19)30(44)25(16-21-6-11-24(40)12-7-21)36-29(43)27(41)13-8-20-4-9-23(39)10-5-20/h4-7,9-12,19,22,25-27,38-41H,2-3,8,13-18H2,1H3,(H,35,42)(H,36,43)(H4,32,33,34)/t19?,22-,25-,26+,27?/m1/s1
+CH$LINK: PUBCHEM CID:139589787
+CH$LINK: INCHIKEY OYLLIRIQZZWJCJ-CBJUXADFSA-N
+CH$LINK: CHEMSPIDER 78439000
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 64-647
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.366 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 613.3344
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0540-7941000000-d90621d312c446d5db67
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  84.0808 C5H10N+ 1 84.0808 0.49
+  102.0915 C5H12NO+ 1 102.0913 1.19
+  136.0755 C8H10NO+ 1 136.0757 -1.08
+  144.113 C6H14N3O+ 1 144.1131 -1.2
+  154.0973 C7H12N3O+ 1 154.0975 -1.39
+  155.0812 C7H11N2O2+ 1 155.0815 -2.15
+  255.1811 C12H23N4O2+ 2 255.1816 -1.61
+  314.139 C18H20NO4+ 2 314.1387 1.13
+PK$NUM_PEAK: 8
+PK$PEAK: m/z int. rel.int.
+  84.0808 565387.9 999
+  102.0915 72460.2 128
+  136.0755 324139.5 572
+  144.113 82232.4 145
+  154.0973 148613.2 262
+  155.0812 58342.2 103
+  255.1811 316376.3 559
+  314.139 144674.6 255
+//
diff --git a/Eawag/MSBNK-EAWAG-EC122206.txt b/Eawag/MSBNK-EAWAG-EC122206.txt
new file mode 100644
index 0000000000..e79e789332
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC122206.txt
@@ -0,0 +1,55 @@
+ACCESSION: MSBNK-EAWAG-EC122206
+RECORD_TITLE: Dihydrospumigin K (and isomers); LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], F. Rios Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1093/femsec/fiaa243
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 1222
+CH$NAME: Dihydrospumigin K (and isomers)
+CH$NAME: (2S)-N-[(2R)-5-(diaminomethylideneamino)-1-hydroxypentan-2-yl]-1-[(2R)-2-[[2-hydroxy-4-(4-hydroxyphenyl)butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H44N6O7
+CH$EXACT_MASS: 612.3271477
+CH$SMILES: OC1=CC=C(CCC(O)C(N[C@H](CC2=CC=C(O)C=C2)C(N3[C@H](C(N[C@H](CCCNC(N)=N)CO)=O)CC(C)C3)=O)=O)C=C1
+CH$IUPAC: InChI=1S/C31H44N6O7/c1-19-15-26(28(42)35-22(18-38)3-2-14-34-31(32)33)37(17-19)30(44)25(16-21-6-11-24(40)12-7-21)36-29(43)27(41)13-8-20-4-9-23(39)10-5-20/h4-7,9-12,19,22,25-27,38-41H,2-3,8,13-18H2,1H3,(H,35,42)(H,36,43)(H4,32,33,34)/t19?,22-,25-,26+,27?/m1/s1
+CH$LINK: PUBCHEM CID:139589787
+CH$LINK: INCHIKEY OYLLIRIQZZWJCJ-CBJUXADFSA-N
+CH$LINK: CHEMSPIDER 78439000
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 64-647
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.366 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 613.3344
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-001r-7900000000-7caabbf2a809d61c9383
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  84.0808 C5H10N+ 1 84.0808 0.3
+  102.0913 C5H12NO+ 1 102.0913 -0.83
+  136.0755 C8H10NO+ 1 136.0757 -1.64
+  144.1129 C6H14N3O+ 1 144.1131 -1.62
+  154.097 C7H12N3O+ 1 154.0975 -3.17
+  155.0812 C7H11N2O2+ 1 155.0815 -2.25
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  84.0808 761363.6 999
+  102.0913 96278.3 126
+  136.0755 640878.9 840
+  144.1129 74108.7 97
+  154.097 100803.7 132
+  155.0812 39008.4 51
+//
diff --git a/Eawag/MSBNK-EAWAG-EC122207.txt b/Eawag/MSBNK-EAWAG-EC122207.txt
new file mode 100644
index 0000000000..1e2a80ffb1
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC122207.txt
@@ -0,0 +1,53 @@
+ACCESSION: MSBNK-EAWAG-EC122207
+RECORD_TITLE: Dihydrospumigin K (and isomers); LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], F. Rios Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1093/femsec/fiaa243
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 1222
+CH$NAME: Dihydrospumigin K (and isomers)
+CH$NAME: (2S)-N-[(2R)-5-(diaminomethylideneamino)-1-hydroxypentan-2-yl]-1-[(2R)-2-[[2-hydroxy-4-(4-hydroxyphenyl)butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H44N6O7
+CH$EXACT_MASS: 612.3271477
+CH$SMILES: OC1=CC=C(CCC(O)C(N[C@H](CC2=CC=C(O)C=C2)C(N3[C@H](C(N[C@H](CCCNC(N)=N)CO)=O)CC(C)C3)=O)=O)C=C1
+CH$IUPAC: InChI=1S/C31H44N6O7/c1-19-15-26(28(42)35-22(18-38)3-2-14-34-31(32)33)37(17-19)30(44)25(16-21-6-11-24(40)12-7-21)36-29(43)27(41)13-8-20-4-9-23(39)10-5-20/h4-7,9-12,19,22,25-27,38-41H,2-3,8,13-18H2,1H3,(H,35,42)(H,36,43)(H4,32,33,34)/t19?,22-,25-,26+,27?/m1/s1
+CH$LINK: PUBCHEM CID:139589787
+CH$LINK: INCHIKEY OYLLIRIQZZWJCJ-CBJUXADFSA-N
+CH$LINK: CHEMSPIDER 78439000
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 64-647
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.366 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 613.3344
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-001r-9800000000-7ee59b45b7ac7d9f3b3a
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  84.0808 C5H10N+ 1 84.0808 0.4
+  91.0542 C7H7+ 1 91.0542 0.04
+  102.0913 C5H12NO+ 1 102.0913 0.07
+  119.0491 C8H7O+ 1 119.0491 -0.06
+  136.0755 C8H10NO+ 1 136.0757 -1.19
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  84.0808 846742.6 999
+  91.0542 58820.5 69
+  102.0913 74319.6 87
+  119.0491 75033.9 88
+  136.0755 696537.5 821
+//
diff --git a/Eawag/MSBNK-EAWAG-EC122208.txt b/Eawag/MSBNK-EAWAG-EC122208.txt
new file mode 100644
index 0000000000..34d6b633ed
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC122208.txt
@@ -0,0 +1,55 @@
+ACCESSION: MSBNK-EAWAG-EC122208
+RECORD_TITLE: Dihydrospumigin K (and isomers); LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], F. Rios Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1093/femsec/fiaa243
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 1222
+CH$NAME: Dihydrospumigin K (and isomers)
+CH$NAME: (2S)-N-[(2R)-5-(diaminomethylideneamino)-1-hydroxypentan-2-yl]-1-[(2R)-2-[[2-hydroxy-4-(4-hydroxyphenyl)butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H44N6O7
+CH$EXACT_MASS: 612.3271477
+CH$SMILES: OC1=CC=C(CCC(O)C(N[C@H](CC2=CC=C(O)C=C2)C(N3[C@H](C(N[C@H](CCCNC(N)=N)CO)=O)CC(C)C3)=O)=O)C=C1
+CH$IUPAC: InChI=1S/C31H44N6O7/c1-19-15-26(28(42)35-22(18-38)3-2-14-34-31(32)33)37(17-19)30(44)25(16-21-6-11-24(40)12-7-21)36-29(43)27(41)13-8-20-4-9-23(39)10-5-20/h4-7,9-12,19,22,25-27,38-41H,2-3,8,13-18H2,1H3,(H,35,42)(H,36,43)(H4,32,33,34)/t19?,22-,25-,26+,27?/m1/s1
+CH$LINK: PUBCHEM CID:139589787
+CH$LINK: INCHIKEY OYLLIRIQZZWJCJ-CBJUXADFSA-N
+CH$LINK: CHEMSPIDER 78439000
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 64-647
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.366 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 613.3344
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-001r-9700000000-e9bc1c653b591ff44008
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  84.0808 C5H10N+ 1 84.0808 0.67
+  91.0543 C7H7+ 1 91.0542 0.88
+  102.0913 C5H12NO+ 1 102.0913 -0.38
+  107.0492 C7H7O+ 1 107.0491 0.79
+  119.0491 C8H7O+ 1 119.0491 -0.63
+  136.0755 C8H10NO+ 1 136.0757 -1.08
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  84.0808 796342.2 999
+  91.0543 178129.1 223
+  102.0913 71251.3 89
+  107.0492 81795 102
+  119.0491 141994.9 178
+  136.0755 529611.1 664
+//
diff --git a/Eawag/MSBNK-EAWAG-EC122209.txt b/Eawag/MSBNK-EAWAG-EC122209.txt
new file mode 100644
index 0000000000..1cb29b53c8
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC122209.txt
@@ -0,0 +1,55 @@
+ACCESSION: MSBNK-EAWAG-EC122209
+RECORD_TITLE: Dihydrospumigin K (and isomers); LC-ESI-QFT; MS2; CE: 80%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], F. Rios Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1093/femsec/fiaa243
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 1222
+CH$NAME: Dihydrospumigin K (and isomers)
+CH$NAME: (2S)-N-[(2R)-5-(diaminomethylideneamino)-1-hydroxypentan-2-yl]-1-[(2R)-2-[[2-hydroxy-4-(4-hydroxyphenyl)butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H44N6O7
+CH$EXACT_MASS: 612.3271477
+CH$SMILES: OC1=CC=C(CCC(O)C(N[C@H](CC2=CC=C(O)C=C2)C(N3[C@H](C(N[C@H](CCCNC(N)=N)CO)=O)CC(C)C3)=O)=O)C=C1
+CH$IUPAC: InChI=1S/C31H44N6O7/c1-19-15-26(28(42)35-22(18-38)3-2-14-34-31(32)33)37(17-19)30(44)25(16-21-6-11-24(40)12-7-21)36-29(43)27(41)13-8-20-4-9-23(39)10-5-20/h4-7,9-12,19,22,25-27,38-41H,2-3,8,13-18H2,1H3,(H,35,42)(H,36,43)(H4,32,33,34)/t19?,22-,25-,26+,27?/m1/s1
+CH$LINK: PUBCHEM CID:139589787
+CH$LINK: INCHIKEY OYLLIRIQZZWJCJ-CBJUXADFSA-N
+CH$LINK: CHEMSPIDER 78439000
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 64-647
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.366 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 613.3344
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-001i-9500000000-dbaee62d385aaeacd857
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  84.0808 C5H10N+ 1 84.0808 0.3
+  91.0542 C7H7+ 1 91.0542 -0.21
+  102.0913 C5H12NO+ 1 102.0913 -0.6
+  107.0491 C7H7O+ 1 107.0491 -0.13
+  119.049 C8H7O+ 1 119.0491 -0.82
+  136.0754 C8H10NO+ 1 136.0757 -1.98
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  84.0808 719887.9 999
+  91.0542 306191.9 424
+  102.0913 46626.3 64
+  107.0491 111027.3 154
+  119.049 172597.1 239
+  136.0754 331501 460
+//
diff --git a/Eawag/MSBNK-EAWAG-EC122301.txt b/Eawag/MSBNK-EAWAG-EC122301.txt
new file mode 100644
index 0000000000..877e522250
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC122301.txt
@@ -0,0 +1,45 @@
+ACCESSION: MSBNK-EAWAG-EC122301
+RECORD_TITLE: Dihydrospumigin L (and isomers); LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], F. Rios Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1093/femsec/fiaa243
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 1223
+CH$NAME: Dihydrospumigin L (and isomers)
+CH$NAME: (2S)-N-((S)-5-guanidino-1-hydroxypentan-2-yl)-1-((2-hydroxy-4-(4-hydroxyphenyl)butanoyl)-D-tyrosyl)-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H44N6O7
+CH$EXACT_MASS: 612.3271477
+CH$SMILES: OC1=CC=C(CCC(O)C(N[C@H](CC2=CC=C(O)C=C2)C(N3[C@H](C(N[C@@H](CCCNC(N)=N)CO)=O)CC(C)C3)=O)=O)C=C1
+CH$IUPAC: InChI=1S/C31H44N6O7/c1-19-15-26(28(42)35-22(18-38)3-2-14-34-31(32)33)37(17-19)30(44)25(16-21-6-11-24(40)12-7-21)36-29(43)27(41)13-8-20-4-9-23(39)10-5-20/h4-7,9-12,19,22,25-27,38-41H,2-3,8,13-18H2,1H3,(H,35,42)(H,36,43)(H4,32,33,34)/t19?,22-,25+,26-,27?/m0/s1
+CH$LINK: PUBCHEM CID:139589788
+CH$LINK: INCHIKEY OYLLIRIQZZWJCJ-SNPABIAHSA-N
+CH$LINK: CHEMSPIDER 78439001
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 64-647
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.366 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 613.3344
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03di-0000009000-a9870ef699660c728d8a
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  613.3341 C31H45N6O7+ 1 613.3344 -0.57
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  613.3341 2889700 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC122302.txt b/Eawag/MSBNK-EAWAG-EC122302.txt
new file mode 100644
index 0000000000..2d4dd0058b
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC122302.txt
@@ -0,0 +1,45 @@
+ACCESSION: MSBNK-EAWAG-EC122302
+RECORD_TITLE: Dihydrospumigin L (and isomers); LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], F. Rios Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1093/femsec/fiaa243
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 1223
+CH$NAME: Dihydrospumigin L (and isomers)
+CH$NAME: (2S)-N-((S)-5-guanidino-1-hydroxypentan-2-yl)-1-((2-hydroxy-4-(4-hydroxyphenyl)butanoyl)-D-tyrosyl)-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H44N6O7
+CH$EXACT_MASS: 612.3271477
+CH$SMILES: OC1=CC=C(CCC(O)C(N[C@H](CC2=CC=C(O)C=C2)C(N3[C@H](C(N[C@@H](CCCNC(N)=N)CO)=O)CC(C)C3)=O)=O)C=C1
+CH$IUPAC: InChI=1S/C31H44N6O7/c1-19-15-26(28(42)35-22(18-38)3-2-14-34-31(32)33)37(17-19)30(44)25(16-21-6-11-24(40)12-7-21)36-29(43)27(41)13-8-20-4-9-23(39)10-5-20/h4-7,9-12,19,22,25-27,38-41H,2-3,8,13-18H2,1H3,(H,35,42)(H,36,43)(H4,32,33,34)/t19?,22-,25+,26-,27?/m0/s1
+CH$LINK: PUBCHEM CID:139589788
+CH$LINK: INCHIKEY OYLLIRIQZZWJCJ-SNPABIAHSA-N
+CH$LINK: CHEMSPIDER 78439001
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 64-647
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.366 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 613.3344
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03di-0000009000-3329ea246a1cf314c293
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  613.3345 C31H45N6O7+ 1 613.3344 0.12
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  613.3345 2662059.8 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC122303.txt b/Eawag/MSBNK-EAWAG-EC122303.txt
new file mode 100644
index 0000000000..0a69c233e0
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC122303.txt
@@ -0,0 +1,47 @@
+ACCESSION: MSBNK-EAWAG-EC122303
+RECORD_TITLE: Dihydrospumigin L (and isomers); LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], F. Rios Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1093/femsec/fiaa243
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 1223
+CH$NAME: Dihydrospumigin L (and isomers)
+CH$NAME: (2S)-N-((S)-5-guanidino-1-hydroxypentan-2-yl)-1-((2-hydroxy-4-(4-hydroxyphenyl)butanoyl)-D-tyrosyl)-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H44N6O7
+CH$EXACT_MASS: 612.3271477
+CH$SMILES: OC1=CC=C(CCC(O)C(N[C@H](CC2=CC=C(O)C=C2)C(N3[C@H](C(N[C@@H](CCCNC(N)=N)CO)=O)CC(C)C3)=O)=O)C=C1
+CH$IUPAC: InChI=1S/C31H44N6O7/c1-19-15-26(28(42)35-22(18-38)3-2-14-34-31(32)33)37(17-19)30(44)25(16-21-6-11-24(40)12-7-21)36-29(43)27(41)13-8-20-4-9-23(39)10-5-20/h4-7,9-12,19,22,25-27,38-41H,2-3,8,13-18H2,1H3,(H,35,42)(H,36,43)(H4,32,33,34)/t19?,22-,25+,26-,27?/m0/s1
+CH$LINK: PUBCHEM CID:139589788
+CH$LINK: INCHIKEY OYLLIRIQZZWJCJ-SNPABIAHSA-N
+CH$LINK: CHEMSPIDER 78439001
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 64-647
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.366 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 613.3344
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03di-0000009000-dfe70abe4c60f906a4cc
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  255.1814 C12H23N4O2+ 2 255.1816 -0.53
+  613.3347 C31H45N6O7+ 1 613.3344 0.42
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  255.1814 107889.1 46
+  613.3347 2327970.2 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC122304.txt b/Eawag/MSBNK-EAWAG-EC122304.txt
new file mode 100644
index 0000000000..eae4837b35
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC122304.txt
@@ -0,0 +1,49 @@
+ACCESSION: MSBNK-EAWAG-EC122304
+RECORD_TITLE: Dihydrospumigin L (and isomers); LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], F. Rios Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1093/femsec/fiaa243
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 1223
+CH$NAME: Dihydrospumigin L (and isomers)
+CH$NAME: (2S)-N-((S)-5-guanidino-1-hydroxypentan-2-yl)-1-((2-hydroxy-4-(4-hydroxyphenyl)butanoyl)-D-tyrosyl)-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H44N6O7
+CH$EXACT_MASS: 612.3271477
+CH$SMILES: OC1=CC=C(CCC(O)C(N[C@H](CC2=CC=C(O)C=C2)C(N3[C@H](C(N[C@@H](CCCNC(N)=N)CO)=O)CC(C)C3)=O)=O)C=C1
+CH$IUPAC: InChI=1S/C31H44N6O7/c1-19-15-26(28(42)35-22(18-38)3-2-14-34-31(32)33)37(17-19)30(44)25(16-21-6-11-24(40)12-7-21)36-29(43)27(41)13-8-20-4-9-23(39)10-5-20/h4-7,9-12,19,22,25-27,38-41H,2-3,8,13-18H2,1H3,(H,35,42)(H,36,43)(H4,32,33,34)/t19?,22-,25+,26-,27?/m0/s1
+CH$LINK: PUBCHEM CID:139589788
+CH$LINK: INCHIKEY OYLLIRIQZZWJCJ-SNPABIAHSA-N
+CH$LINK: CHEMSPIDER 78439001
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 64-647
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.366 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 613.3344
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03di-0020009000-5241afd4b0245aa18ac8
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  255.1812 C12H23N4O2+ 2 255.1816 -1.19
+  314.1389 C18H20NO4+ 2 314.1387 0.74
+  613.3352 C31H45N6O7+ 1 613.3344 1.22
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  255.1812 364233.1 247
+  314.1389 46716.5 31
+  613.3352 1471900 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC122305.txt b/Eawag/MSBNK-EAWAG-EC122305.txt
new file mode 100644
index 0000000000..1021b3fa86
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC122305.txt
@@ -0,0 +1,59 @@
+ACCESSION: MSBNK-EAWAG-EC122305
+RECORD_TITLE: Dihydrospumigin L (and isomers); LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], F. Rios Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1093/femsec/fiaa243
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 1223
+CH$NAME: Dihydrospumigin L (and isomers)
+CH$NAME: (2S)-N-((S)-5-guanidino-1-hydroxypentan-2-yl)-1-((2-hydroxy-4-(4-hydroxyphenyl)butanoyl)-D-tyrosyl)-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H44N6O7
+CH$EXACT_MASS: 612.3271477
+CH$SMILES: OC1=CC=C(CCC(O)C(N[C@H](CC2=CC=C(O)C=C2)C(N3[C@H](C(N[C@@H](CCCNC(N)=N)CO)=O)CC(C)C3)=O)=O)C=C1
+CH$IUPAC: InChI=1S/C31H44N6O7/c1-19-15-26(28(42)35-22(18-38)3-2-14-34-31(32)33)37(17-19)30(44)25(16-21-6-11-24(40)12-7-21)36-29(43)27(41)13-8-20-4-9-23(39)10-5-20/h4-7,9-12,19,22,25-27,38-41H,2-3,8,13-18H2,1H3,(H,35,42)(H,36,43)(H4,32,33,34)/t19?,22-,25+,26-,27?/m0/s1
+CH$LINK: PUBCHEM CID:139589788
+CH$LINK: INCHIKEY OYLLIRIQZZWJCJ-SNPABIAHSA-N
+CH$LINK: CHEMSPIDER 78439001
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 64-647
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.366 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 613.3344
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0540-7941000000-d90621d312c446d5db67
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  84.0808 C5H10N+ 1 84.0808 0.49
+  102.0915 C5H12NO+ 1 102.0913 1.19
+  136.0755 C8H10NO+ 1 136.0757 -1.08
+  144.113 C6H14N3O+ 1 144.1131 -1.2
+  154.0973 C7H12N3O+ 1 154.0975 -1.39
+  155.0812 C7H11N2O2+ 1 155.0815 -2.15
+  255.1811 C12H23N4O2+ 2 255.1816 -1.61
+  314.139 C18H20NO4+ 2 314.1387 1.13
+PK$NUM_PEAK: 8
+PK$PEAK: m/z int. rel.int.
+  84.0808 565387.9 999
+  102.0915 72460.2 128
+  136.0755 324139.5 572
+  144.113 82232.4 145
+  154.0973 148613.2 262
+  155.0812 58342.2 103
+  255.1811 316376.3 559
+  314.139 144674.6 255
+//
diff --git a/Eawag/MSBNK-EAWAG-EC122306.txt b/Eawag/MSBNK-EAWAG-EC122306.txt
new file mode 100644
index 0000000000..1e035e5af6
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC122306.txt
@@ -0,0 +1,53 @@
+ACCESSION: MSBNK-EAWAG-EC122306
+RECORD_TITLE: Dihydrospumigin L (and isomers); LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], F. Rios Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1093/femsec/fiaa243
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 1223
+CH$NAME: Dihydrospumigin L (and isomers)
+CH$NAME: (2S)-N-((S)-5-guanidino-1-hydroxypentan-2-yl)-1-((2-hydroxy-4-(4-hydroxyphenyl)butanoyl)-D-tyrosyl)-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H44N6O7
+CH$EXACT_MASS: 612.3271477
+CH$SMILES: OC1=CC=C(CCC(O)C(N[C@H](CC2=CC=C(O)C=C2)C(N3[C@H](C(N[C@@H](CCCNC(N)=N)CO)=O)CC(C)C3)=O)=O)C=C1
+CH$IUPAC: InChI=1S/C31H44N6O7/c1-19-15-26(28(42)35-22(18-38)3-2-14-34-31(32)33)37(17-19)30(44)25(16-21-6-11-24(40)12-7-21)36-29(43)27(41)13-8-20-4-9-23(39)10-5-20/h4-7,9-12,19,22,25-27,38-41H,2-3,8,13-18H2,1H3,(H,35,42)(H,36,43)(H4,32,33,34)/t19?,22-,25+,26-,27?/m0/s1
+CH$LINK: PUBCHEM CID:139589788
+CH$LINK: INCHIKEY OYLLIRIQZZWJCJ-SNPABIAHSA-N
+CH$LINK: CHEMSPIDER 78439001
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 64-647
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.366 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 613.3344
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-001r-7900000000-177caeeb03ef34dcbf01
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  84.0808 C5H10N+ 1 84.0808 0.3
+  102.0913 C5H12NO+ 1 102.0913 -0.83
+  136.0755 C8H10NO+ 1 136.0757 -1.64
+  144.1129 C6H14N3O+ 1 144.1131 -1.62
+  154.097 C7H12N3O+ 1 154.0975 -3.17
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  84.0808 761363.6 999
+  102.0913 96278.3 126
+  136.0755 640878.9 840
+  144.1129 74108.7 97
+  154.097 100803.7 132
+//
diff --git a/Eawag/MSBNK-EAWAG-EC122307.txt b/Eawag/MSBNK-EAWAG-EC122307.txt
new file mode 100644
index 0000000000..839320da1f
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC122307.txt
@@ -0,0 +1,53 @@
+ACCESSION: MSBNK-EAWAG-EC122307
+RECORD_TITLE: Dihydrospumigin L (and isomers); LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], F. Rios Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1093/femsec/fiaa243
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 1223
+CH$NAME: Dihydrospumigin L (and isomers)
+CH$NAME: (2S)-N-((S)-5-guanidino-1-hydroxypentan-2-yl)-1-((2-hydroxy-4-(4-hydroxyphenyl)butanoyl)-D-tyrosyl)-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H44N6O7
+CH$EXACT_MASS: 612.3271477
+CH$SMILES: OC1=CC=C(CCC(O)C(N[C@H](CC2=CC=C(O)C=C2)C(N3[C@H](C(N[C@@H](CCCNC(N)=N)CO)=O)CC(C)C3)=O)=O)C=C1
+CH$IUPAC: InChI=1S/C31H44N6O7/c1-19-15-26(28(42)35-22(18-38)3-2-14-34-31(32)33)37(17-19)30(44)25(16-21-6-11-24(40)12-7-21)36-29(43)27(41)13-8-20-4-9-23(39)10-5-20/h4-7,9-12,19,22,25-27,38-41H,2-3,8,13-18H2,1H3,(H,35,42)(H,36,43)(H4,32,33,34)/t19?,22-,25+,26-,27?/m0/s1
+CH$LINK: PUBCHEM CID:139589788
+CH$LINK: INCHIKEY OYLLIRIQZZWJCJ-SNPABIAHSA-N
+CH$LINK: CHEMSPIDER 78439001
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 64-647
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.366 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 613.3344
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-001r-9800000000-7ee59b45b7ac7d9f3b3a
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  84.0808 C5H10N+ 1 84.0808 0.4
+  91.0542 C7H7+ 1 91.0542 0.04
+  102.0913 C5H12NO+ 1 102.0913 0.07
+  119.0491 C8H7O+ 1 119.0491 -0.06
+  136.0755 C8H10NO+ 1 136.0757 -1.19
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  84.0808 846742.6 999
+  91.0542 58820.5 69
+  102.0913 74319.6 87
+  119.0491 75033.9 88
+  136.0755 696537.5 821
+//
diff --git a/Eawag/MSBNK-EAWAG-EC122308.txt b/Eawag/MSBNK-EAWAG-EC122308.txt
new file mode 100644
index 0000000000..742e9dc283
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC122308.txt
@@ -0,0 +1,55 @@
+ACCESSION: MSBNK-EAWAG-EC122308
+RECORD_TITLE: Dihydrospumigin L (and isomers); LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], F. Rios Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1093/femsec/fiaa243
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 1223
+CH$NAME: Dihydrospumigin L (and isomers)
+CH$NAME: (2S)-N-((S)-5-guanidino-1-hydroxypentan-2-yl)-1-((2-hydroxy-4-(4-hydroxyphenyl)butanoyl)-D-tyrosyl)-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H44N6O7
+CH$EXACT_MASS: 612.3271477
+CH$SMILES: OC1=CC=C(CCC(O)C(N[C@H](CC2=CC=C(O)C=C2)C(N3[C@H](C(N[C@@H](CCCNC(N)=N)CO)=O)CC(C)C3)=O)=O)C=C1
+CH$IUPAC: InChI=1S/C31H44N6O7/c1-19-15-26(28(42)35-22(18-38)3-2-14-34-31(32)33)37(17-19)30(44)25(16-21-6-11-24(40)12-7-21)36-29(43)27(41)13-8-20-4-9-23(39)10-5-20/h4-7,9-12,19,22,25-27,38-41H,2-3,8,13-18H2,1H3,(H,35,42)(H,36,43)(H4,32,33,34)/t19?,22-,25+,26-,27?/m0/s1
+CH$LINK: PUBCHEM CID:139589788
+CH$LINK: INCHIKEY OYLLIRIQZZWJCJ-SNPABIAHSA-N
+CH$LINK: CHEMSPIDER 78439001
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 64-647
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.366 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 613.3344
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-001r-9700000000-e9bc1c653b591ff44008
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  84.0808 C5H10N+ 1 84.0808 0.67
+  91.0543 C7H7+ 1 91.0542 0.88
+  102.0913 C5H12NO+ 1 102.0913 -0.38
+  107.0492 C7H7O+ 1 107.0491 0.79
+  119.0491 C8H7O+ 1 119.0491 -0.63
+  136.0755 C8H10NO+ 1 136.0757 -1.08
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  84.0808 796342.2 999
+  91.0543 178129.1 223
+  102.0913 71251.3 89
+  107.0492 81795 102
+  119.0491 141994.9 178
+  136.0755 529611.1 664
+//
diff --git a/Eawag/MSBNK-EAWAG-EC122309.txt b/Eawag/MSBNK-EAWAG-EC122309.txt
new file mode 100644
index 0000000000..8b15f433d6
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC122309.txt
@@ -0,0 +1,55 @@
+ACCESSION: MSBNK-EAWAG-EC122309
+RECORD_TITLE: Dihydrospumigin L (and isomers); LC-ESI-QFT; MS2; CE: 80%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], F. Rios Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1093/femsec/fiaa243
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 1223
+CH$NAME: Dihydrospumigin L (and isomers)
+CH$NAME: (2S)-N-((S)-5-guanidino-1-hydroxypentan-2-yl)-1-((2-hydroxy-4-(4-hydroxyphenyl)butanoyl)-D-tyrosyl)-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H44N6O7
+CH$EXACT_MASS: 612.3271477
+CH$SMILES: OC1=CC=C(CCC(O)C(N[C@H](CC2=CC=C(O)C=C2)C(N3[C@H](C(N[C@@H](CCCNC(N)=N)CO)=O)CC(C)C3)=O)=O)C=C1
+CH$IUPAC: InChI=1S/C31H44N6O7/c1-19-15-26(28(42)35-22(18-38)3-2-14-34-31(32)33)37(17-19)30(44)25(16-21-6-11-24(40)12-7-21)36-29(43)27(41)13-8-20-4-9-23(39)10-5-20/h4-7,9-12,19,22,25-27,38-41H,2-3,8,13-18H2,1H3,(H,35,42)(H,36,43)(H4,32,33,34)/t19?,22-,25+,26-,27?/m0/s1
+CH$LINK: PUBCHEM CID:139589788
+CH$LINK: INCHIKEY OYLLIRIQZZWJCJ-SNPABIAHSA-N
+CH$LINK: CHEMSPIDER 78439001
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 64-647
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.366 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 613.3344
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-001i-9500000000-dbaee62d385aaeacd857
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  84.0808 C5H10N+ 1 84.0808 0.3
+  91.0542 C7H7+ 1 91.0542 -0.21
+  102.0913 C5H12NO+ 1 102.0913 -0.6
+  107.0491 C7H7O+ 1 107.0491 -0.13
+  119.049 C8H7O+ 1 119.0491 -0.82
+  136.0754 C8H10NO+ 1 136.0757 -1.98
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  84.0808 719887.9 999
+  91.0542 306191.9 424
+  102.0913 46626.3 64
+  107.0491 111027.3 154
+  119.049 172597.1 239
+  136.0754 331501 460
+//
diff --git a/Eawag/MSBNK-EAWAG-EC122801.txt b/Eawag/MSBNK-EAWAG-EC122801.txt
new file mode 100644
index 0000000000..f3d5114650
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC122801.txt
@@ -0,0 +1,50 @@
+ACCESSION: MSBNK-EAWAG-EC122801
+RECORD_TITLE: Spumigin E (and isomers); LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], F. Rios Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1093/femsec/fiaa243
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 1228
+CH$NAME: Spumigin E (and isomers)
+CH$NAME: (2S,4S)-N-[5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1-[(2R)-2-[[(2R)-2-hydroxy-3-(4-hydroxyphenyl)propanoyl]amino]-4-(4-hydroxyphenyl)butanoyl]-4-methylpyrrolidine-2-carboxamide
+CH$NAME: (2S,4S)-N-(5-guanidino-1-oxopentan-2-yl)-1-((R)-2-((R)-2-hydroxy-3-(4-hydroxyphenyl)propanamido)-4-(4-hydroxyphenyl)butanoyl)-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H42N6O7
+CH$EXACT_MASS: 610.3114977
+CH$SMILES: C[C@H]1C[C@H](N(C1)C(=O)[C@@H](CCC2=CC=C(C=C2)O)NC(=O)[C@@H](CC3=CC=C(C=C3)O)O)C(=O)NC(CCCN=C(N)N)C=O
+CH$IUPAC: InChI=1S/C31H42N6O7/c1-19-15-26(28(42)35-22(18-38)3-2-14-34-31(32)33)37(17-19)30(44)25(13-8-20-4-9-23(39)10-5-20)36-29(43)27(41)16-21-6-11-24(40)12-7-21/h4-7,9-12,18-19,22,25-27,39-41H,2-3,8,13-17H2,1H3,(H,35,42)(H,36,43)(H4,32,33,34)/t19-,22?,25+,26-,27+/m0/s1
+CH$LINK: PUBCHEM CID:71449303
+CH$LINK: INCHIKEY GNEMRCVXTBTWCG-NBJYBXKZSA-N
+CH$LINK: CHEMSPIDER 28650262
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 64-645
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.053 min
+MS$FOCUSED_ION: BASE_PEAK 132.9579
+MS$FOCUSED_ION: PRECURSOR_M/Z 611.3188
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-01ox-0000095000-5acdd6603dfd1151cf98
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  551.286 C30H39N4O6+ 1 551.2864 -0.67
+  593.3082 C31H41N6O6+ 1 593.3082 -0.1
+  611.3188 C31H43N6O7+ 1 611.3188 0.06
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  551.286 354173.7 76
+  593.3082 4610501 999
+  611.3188 3006440.2 651
+//
diff --git a/Eawag/MSBNK-EAWAG-EC122802.txt b/Eawag/MSBNK-EAWAG-EC122802.txt
new file mode 100644
index 0000000000..6cd7fdb807
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC122802.txt
@@ -0,0 +1,50 @@
+ACCESSION: MSBNK-EAWAG-EC122802
+RECORD_TITLE: Spumigin E (and isomers); LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], F. Rios Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1093/femsec/fiaa243
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 1228
+CH$NAME: Spumigin E (and isomers)
+CH$NAME: (2S,4S)-N-[5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1-[(2R)-2-[[(2R)-2-hydroxy-3-(4-hydroxyphenyl)propanoyl]amino]-4-(4-hydroxyphenyl)butanoyl]-4-methylpyrrolidine-2-carboxamide
+CH$NAME: (2S,4S)-N-(5-guanidino-1-oxopentan-2-yl)-1-((R)-2-((R)-2-hydroxy-3-(4-hydroxyphenyl)propanamido)-4-(4-hydroxyphenyl)butanoyl)-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H42N6O7
+CH$EXACT_MASS: 610.3114977
+CH$SMILES: C[C@H]1C[C@H](N(C1)C(=O)[C@@H](CCC2=CC=C(C=C2)O)NC(=O)[C@@H](CC3=CC=C(C=C3)O)O)C(=O)NC(CCCN=C(N)N)C=O
+CH$IUPAC: InChI=1S/C31H42N6O7/c1-19-15-26(28(42)35-22(18-38)3-2-14-34-31(32)33)37(17-19)30(44)25(13-8-20-4-9-23(39)10-5-20)36-29(43)27(41)16-21-6-11-24(40)12-7-21/h4-7,9-12,18-19,22,25-27,39-41H,2-3,8,13-17H2,1H3,(H,35,42)(H,36,43)(H4,32,33,34)/t19-,22?,25+,26-,27+/m0/s1
+CH$LINK: PUBCHEM CID:71449303
+CH$LINK: INCHIKEY GNEMRCVXTBTWCG-NBJYBXKZSA-N
+CH$LINK: CHEMSPIDER 28650262
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 64-645
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.053 min
+MS$FOCUSED_ION: BASE_PEAK 132.9579
+MS$FOCUSED_ION: PRECURSOR_M/Z 611.3188
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0006-0000093000-c27cf10f37a349bf5236
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  551.2857 C30H39N4O6+ 1 551.2864 -1.34
+  593.3081 C31H41N6O6+ 1 593.3082 -0.2
+  611.3187 C31H43N6O7+ 1 611.3188 -0.04
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  551.2857 577053.3 119
+  593.3081 4819432.5 999
+  611.3187 2269546 470
+//
diff --git a/Eawag/MSBNK-EAWAG-EC122803.txt b/Eawag/MSBNK-EAWAG-EC122803.txt
new file mode 100644
index 0000000000..b8191422f7
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC122803.txt
@@ -0,0 +1,54 @@
+ACCESSION: MSBNK-EAWAG-EC122803
+RECORD_TITLE: Spumigin E (and isomers); LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], F. Rios Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1093/femsec/fiaa243
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 1228
+CH$NAME: Spumigin E (and isomers)
+CH$NAME: (2S,4S)-N-[5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1-[(2R)-2-[[(2R)-2-hydroxy-3-(4-hydroxyphenyl)propanoyl]amino]-4-(4-hydroxyphenyl)butanoyl]-4-methylpyrrolidine-2-carboxamide
+CH$NAME: (2S,4S)-N-(5-guanidino-1-oxopentan-2-yl)-1-((R)-2-((R)-2-hydroxy-3-(4-hydroxyphenyl)propanamido)-4-(4-hydroxyphenyl)butanoyl)-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H42N6O7
+CH$EXACT_MASS: 610.3114977
+CH$SMILES: C[C@H]1C[C@H](N(C1)C(=O)[C@@H](CCC2=CC=C(C=C2)O)NC(=O)[C@@H](CC3=CC=C(C=C3)O)O)C(=O)NC(CCCN=C(N)N)C=O
+CH$IUPAC: InChI=1S/C31H42N6O7/c1-19-15-26(28(42)35-22(18-38)3-2-14-34-31(32)33)37(17-19)30(44)25(13-8-20-4-9-23(39)10-5-20)36-29(43)27(41)16-21-6-11-24(40)12-7-21/h4-7,9-12,18-19,22,25-27,39-41H,2-3,8,13-17H2,1H3,(H,35,42)(H,36,43)(H4,32,33,34)/t19-,22?,25+,26-,27+/m0/s1
+CH$LINK: PUBCHEM CID:71449303
+CH$LINK: INCHIKEY GNEMRCVXTBTWCG-NBJYBXKZSA-N
+CH$LINK: CHEMSPIDER 28650262
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 64-645
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.053 min
+MS$FOCUSED_ION: BASE_PEAK 132.9579
+MS$FOCUSED_ION: PRECURSOR_M/Z 611.3188
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0006-0000092000-3ce5785ece2952b096df
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  84.0807 C5H10N+ 1 84.0808 -0.33
+  210.1594 C9H18N6+ 2 210.1587 2.92
+  551.2861 C30H39N4O6+ 1 551.2864 -0.56
+  593.3081 C31H41N6O6+ 1 593.3082 -0.2
+  611.3187 C31H43N6O7+ 1 611.3188 -0.14
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  84.0807 233104.9 54
+  210.1594 283889.2 65
+  551.2861 758490.4 176
+  593.3081 4301185.5 999
+  611.3187 1380180.6 320
+//
diff --git a/Eawag/MSBNK-EAWAG-EC122804.txt b/Eawag/MSBNK-EAWAG-EC122804.txt
new file mode 100644
index 0000000000..ec9ee07f21
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC122804.txt
@@ -0,0 +1,62 @@
+ACCESSION: MSBNK-EAWAG-EC122804
+RECORD_TITLE: Spumigin E (and isomers); LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], F. Rios Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1093/femsec/fiaa243
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 1228
+CH$NAME: Spumigin E (and isomers)
+CH$NAME: (2S,4S)-N-[5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1-[(2R)-2-[[(2R)-2-hydroxy-3-(4-hydroxyphenyl)propanoyl]amino]-4-(4-hydroxyphenyl)butanoyl]-4-methylpyrrolidine-2-carboxamide
+CH$NAME: (2S,4S)-N-(5-guanidino-1-oxopentan-2-yl)-1-((R)-2-((R)-2-hydroxy-3-(4-hydroxyphenyl)propanamido)-4-(4-hydroxyphenyl)butanoyl)-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H42N6O7
+CH$EXACT_MASS: 610.3114977
+CH$SMILES: C[C@H]1C[C@H](N(C1)C(=O)[C@@H](CCC2=CC=C(C=C2)O)NC(=O)[C@@H](CC3=CC=C(C=C3)O)O)C(=O)NC(CCCN=C(N)N)C=O
+CH$IUPAC: InChI=1S/C31H42N6O7/c1-19-15-26(28(42)35-22(18-38)3-2-14-34-31(32)33)37(17-19)30(44)25(13-8-20-4-9-23(39)10-5-20)36-29(43)27(41)16-21-6-11-24(40)12-7-21/h4-7,9-12,18-19,22,25-27,39-41H,2-3,8,13-17H2,1H3,(H,35,42)(H,36,43)(H4,32,33,34)/t19-,22?,25+,26-,27+/m0/s1
+CH$LINK: PUBCHEM CID:71449303
+CH$LINK: INCHIKEY GNEMRCVXTBTWCG-NBJYBXKZSA-N
+CH$LINK: CHEMSPIDER 28650262
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 64-645
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.053 min
+MS$FOCUSED_ION: BASE_PEAK 132.9579
+MS$FOCUSED_ION: PRECURSOR_M/Z 611.3188
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0006-2020091000-c1781cc1b20c72e93170
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  84.0807 C5H10N+ 1 84.0808 -0.88
+  165.138 C10H17N2+ 1 165.1386 -3.52
+  210.1594 C9H18N6+ 2 210.1587 3
+  235.1548 C12H19N4O+ 2 235.1553 -2.39
+  252.1812 C11H26NO5+ 2 252.1805 2.71
+  342.1332 C19H20NO5+ 2 342.1336 -1.3
+  551.2861 C30H39N4O6+ 1 551.2864 -0.56
+  593.308 C31H41N6O6+ 1 593.3082 -0.41
+  611.3186 C31H43N6O7+ 1 611.3188 -0.34
+PK$NUM_PEAK: 9
+PK$PEAK: m/z int. rel.int.
+  84.0807 959993.1 353
+  165.138 230112.7 84
+  210.1594 806361.3 297
+  235.1548 110012.3 40
+  252.1812 69663.2 25
+  342.1332 143208.2 52
+  551.2861 618811.6 227
+  593.308 2712008.2 999
+  611.3186 526186.6 193
+//
diff --git a/Eawag/MSBNK-EAWAG-EC122805.txt b/Eawag/MSBNK-EAWAG-EC122805.txt
new file mode 100644
index 0000000000..8eb48b82b5
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC122805.txt
@@ -0,0 +1,76 @@
+ACCESSION: MSBNK-EAWAG-EC122805
+RECORD_TITLE: Spumigin E (and isomers); LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], F. Rios Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1093/femsec/fiaa243
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 1228
+CH$NAME: Spumigin E (and isomers)
+CH$NAME: (2S,4S)-N-[5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1-[(2R)-2-[[(2R)-2-hydroxy-3-(4-hydroxyphenyl)propanoyl]amino]-4-(4-hydroxyphenyl)butanoyl]-4-methylpyrrolidine-2-carboxamide
+CH$NAME: (2S,4S)-N-(5-guanidino-1-oxopentan-2-yl)-1-((R)-2-((R)-2-hydroxy-3-(4-hydroxyphenyl)propanamido)-4-(4-hydroxyphenyl)butanoyl)-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H42N6O7
+CH$EXACT_MASS: 610.3114977
+CH$SMILES: C[C@H]1C[C@H](N(C1)C(=O)[C@@H](CCC2=CC=C(C=C2)O)NC(=O)[C@@H](CC3=CC=C(C=C3)O)O)C(=O)NC(CCCN=C(N)N)C=O
+CH$IUPAC: InChI=1S/C31H42N6O7/c1-19-15-26(28(42)35-22(18-38)3-2-14-34-31(32)33)37(17-19)30(44)25(13-8-20-4-9-23(39)10-5-20)36-29(43)27(41)16-21-6-11-24(40)12-7-21/h4-7,9-12,18-19,22,25-27,39-41H,2-3,8,13-17H2,1H3,(H,35,42)(H,36,43)(H4,32,33,34)/t19-,22?,25+,26-,27+/m0/s1
+CH$LINK: PUBCHEM CID:71449303
+CH$LINK: INCHIKEY GNEMRCVXTBTWCG-NBJYBXKZSA-N
+CH$LINK: CHEMSPIDER 28650262
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 64-645
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.053 min
+MS$FOCUSED_ION: BASE_PEAK 132.9579
+MS$FOCUSED_ION: PRECURSOR_M/Z 611.3188
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-001i-9712000000-6130249e16ee49b79163
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  84.0807 C5H10N+ 1 84.0808 -0.42
+  99.0915 C5H11N2+ 1 99.0917 -1.62
+  100.0757 C5H10NO+ 1 100.0757 -0.35
+  127.0863 C6H11N2O+ 1 127.0866 -2.05
+  136.0754 C8H10NO+ 1 136.0757 -2.09
+  141.113 C6H13N4+ 1 141.1135 -3.46
+  142.0972 C6H12N3O+ 1 142.0975 -1.68
+  154.0971 C7H12N3O+ 1 154.0975 -2.38
+  165.1382 C10H17N2+ 1 165.1386 -2.69
+  193.1328 C11H17N2O+ 2 193.1335 -3.7
+  235.1545 C11H23O5+ 2 235.154 2.33
+  252.1812 C11H26NO5+ 2 252.1805 2.77
+  253.166 C12H21N4O2+ 2 253.1659 0.3
+  314.1382 C18H20NO4+ 2 314.1387 -1.4
+  342.1335 C19H20NO5+ 3 342.1336 -0.41
+  593.3078 C31H41N6O6+ 1 593.3082 -0.72
+PK$NUM_PEAK: 16
+PK$PEAK: m/z int. rel.int.
+  84.0807 2065447 999
+  99.0915 86834.4 41
+  100.0757 85599.9 41
+  127.0863 36373 17
+  136.0754 592350.3 286
+  141.113 43233.3 20
+  142.0972 75885.8 36
+  154.0971 28350.5 13
+  165.1382 733256.9 354
+  193.1328 124577.6 60
+  235.1545 127029.6 61
+  252.1812 81393.8 39
+  253.166 80248.7 38
+  314.1382 484664.4 234
+  342.1335 66829.2 32
+  593.3078 225750.5 109
+//
diff --git a/Eawag/MSBNK-EAWAG-EC122806.txt b/Eawag/MSBNK-EAWAG-EC122806.txt
new file mode 100644
index 0000000000..f4ef09b0f7
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC122806.txt
@@ -0,0 +1,72 @@
+ACCESSION: MSBNK-EAWAG-EC122806
+RECORD_TITLE: Spumigin E (and isomers); LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], F. Rios Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1093/femsec/fiaa243
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 1228
+CH$NAME: Spumigin E (and isomers)
+CH$NAME: (2S,4S)-N-[5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1-[(2R)-2-[[(2R)-2-hydroxy-3-(4-hydroxyphenyl)propanoyl]amino]-4-(4-hydroxyphenyl)butanoyl]-4-methylpyrrolidine-2-carboxamide
+CH$NAME: (2S,4S)-N-(5-guanidino-1-oxopentan-2-yl)-1-((R)-2-((R)-2-hydroxy-3-(4-hydroxyphenyl)propanamido)-4-(4-hydroxyphenyl)butanoyl)-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H42N6O7
+CH$EXACT_MASS: 610.3114977
+CH$SMILES: C[C@H]1C[C@H](N(C1)C(=O)[C@@H](CCC2=CC=C(C=C2)O)NC(=O)[C@@H](CC3=CC=C(C=C3)O)O)C(=O)NC(CCCN=C(N)N)C=O
+CH$IUPAC: InChI=1S/C31H42N6O7/c1-19-15-26(28(42)35-22(18-38)3-2-14-34-31(32)33)37(17-19)30(44)25(13-8-20-4-9-23(39)10-5-20)36-29(43)27(41)16-21-6-11-24(40)12-7-21/h4-7,9-12,18-19,22,25-27,39-41H,2-3,8,13-17H2,1H3,(H,35,42)(H,36,43)(H4,32,33,34)/t19-,22?,25+,26-,27+/m0/s1
+CH$LINK: PUBCHEM CID:71449303
+CH$LINK: INCHIKEY GNEMRCVXTBTWCG-NBJYBXKZSA-N
+CH$LINK: CHEMSPIDER 28650262
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 64-645
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.053 min
+MS$FOCUSED_ION: BASE_PEAK 132.9579
+MS$FOCUSED_ION: PRECURSOR_M/Z 611.3188
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-001r-8900000000-bdf9034365512a281bcd
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  82.0653 C5H8N+ 1 82.0651 1.88
+  84.0807 C5H10N+ 1 84.0808 -0.88
+  91.0542 C7H7+ 1 91.0542 -0.38
+  99.0916 C5H11N2+ 1 99.0917 -1.24
+  100.0755 C5H10NO+ 1 100.0757 -1.88
+  107.049 C7H7O+ 1 107.0491 -1.7
+  124.0866 C6H10N3+ 1 124.0869 -2.74
+  136.0753 C8H10NO+ 1 136.0757 -2.76
+  141.1135 C6H13N4+ 1 141.1135 0.11
+  154.0973 C7H12N3O+ 1 154.0975 -1.29
+  165.1381 C10H17N2+ 1 165.1386 -3.15
+  193.1327 C11H17N2O+ 2 193.1335 -4.49
+  210.1594 C9H18N6+ 2 210.1587 2.92
+  314.1386 C18H20NO4+ 3 314.1387 -0.13
+PK$NUM_PEAK: 14
+PK$PEAK: m/z int. rel.int.
+  82.0653 43210.5 18
+  84.0807 2300291.8 999
+  91.0542 32070.2 13
+  99.0916 160431.2 69
+  100.0755 109275.8 47
+  107.049 59555.8 25
+  124.0866 32287.5 14
+  136.0753 1600280.9 694
+  141.1135 44072.3 19
+  154.0973 34062.4 14
+  165.1381 720091.4 312
+  193.1327 141046.1 61
+  210.1594 175488.5 76
+  314.1386 163360.1 70
+//
diff --git a/Eawag/MSBNK-EAWAG-EC122807.txt b/Eawag/MSBNK-EAWAG-EC122807.txt
new file mode 100644
index 0000000000..9960552f80
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC122807.txt
@@ -0,0 +1,66 @@
+ACCESSION: MSBNK-EAWAG-EC122807
+RECORD_TITLE: Spumigin E (and isomers); LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], F. Rios Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1093/femsec/fiaa243
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 1228
+CH$NAME: Spumigin E (and isomers)
+CH$NAME: (2S,4S)-N-[5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1-[(2R)-2-[[(2R)-2-hydroxy-3-(4-hydroxyphenyl)propanoyl]amino]-4-(4-hydroxyphenyl)butanoyl]-4-methylpyrrolidine-2-carboxamide
+CH$NAME: (2S,4S)-N-(5-guanidino-1-oxopentan-2-yl)-1-((R)-2-((R)-2-hydroxy-3-(4-hydroxyphenyl)propanamido)-4-(4-hydroxyphenyl)butanoyl)-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H42N6O7
+CH$EXACT_MASS: 610.3114977
+CH$SMILES: C[C@H]1C[C@H](N(C1)C(=O)[C@@H](CCC2=CC=C(C=C2)O)NC(=O)[C@@H](CC3=CC=C(C=C3)O)O)C(=O)NC(CCCN=C(N)N)C=O
+CH$IUPAC: InChI=1S/C31H42N6O7/c1-19-15-26(28(42)35-22(18-38)3-2-14-34-31(32)33)37(17-19)30(44)25(13-8-20-4-9-23(39)10-5-20)36-29(43)27(41)16-21-6-11-24(40)12-7-21/h4-7,9-12,18-19,22,25-27,39-41H,2-3,8,13-17H2,1H3,(H,35,42)(H,36,43)(H4,32,33,34)/t19-,22?,25+,26-,27+/m0/s1
+CH$LINK: PUBCHEM CID:71449303
+CH$LINK: INCHIKEY GNEMRCVXTBTWCG-NBJYBXKZSA-N
+CH$LINK: CHEMSPIDER 28650262
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 64-645
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.053 min
+MS$FOCUSED_ION: BASE_PEAK 132.9579
+MS$FOCUSED_ION: PRECURSOR_M/Z 611.3188
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-001r-8900000000-622123009f3a690f9487
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  67.0542 C5H7+ 1 67.0542 -1.11
+  82.0651 C5H8N+ 1 82.0651 -0.44
+  84.0807 C5H10N+ 1 84.0808 -1.06
+  91.0541 C7H7+ 1 91.0542 -1.72
+  99.0916 C5H11N2+ 1 99.0917 -1.16
+  100.0755 C5H10NO+ 1 100.0757 -1.42
+  107.0489 C7H7O+ 1 107.0491 -2.2
+  119.0489 C8H7O+ 1 119.0491 -2.23
+  136.0753 C8H10NO+ 1 136.0757 -2.98
+  165.138 C10H17N2+ 1 165.1386 -3.62
+  193.1328 C11H17N2O+ 2 193.1335 -3.86
+PK$NUM_PEAK: 11
+PK$PEAK: m/z int. rel.int.
+  67.0542 29769.5 13
+  82.0651 77039.2 33
+  84.0807 2281875.5 999
+  91.0541 128899.1 56
+  99.0916 158040.9 69
+  100.0755 108367.3 47
+  107.0489 155797.8 68
+  119.0489 162017.2 70
+  136.0753 1823506.4 798
+  165.138 425872.9 186
+  193.1328 82064.6 35
+//
diff --git a/Eawag/MSBNK-EAWAG-EC122808.txt b/Eawag/MSBNK-EAWAG-EC122808.txt
new file mode 100644
index 0000000000..f38acebb3a
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC122808.txt
@@ -0,0 +1,66 @@
+ACCESSION: MSBNK-EAWAG-EC122808
+RECORD_TITLE: Spumigin E (and isomers); LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], F. Rios Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1093/femsec/fiaa243
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 1228
+CH$NAME: Spumigin E (and isomers)
+CH$NAME: (2S,4S)-N-[5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1-[(2R)-2-[[(2R)-2-hydroxy-3-(4-hydroxyphenyl)propanoyl]amino]-4-(4-hydroxyphenyl)butanoyl]-4-methylpyrrolidine-2-carboxamide
+CH$NAME: (2S,4S)-N-(5-guanidino-1-oxopentan-2-yl)-1-((R)-2-((R)-2-hydroxy-3-(4-hydroxyphenyl)propanamido)-4-(4-hydroxyphenyl)butanoyl)-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H42N6O7
+CH$EXACT_MASS: 610.3114977
+CH$SMILES: C[C@H]1C[C@H](N(C1)C(=O)[C@@H](CCC2=CC=C(C=C2)O)NC(=O)[C@@H](CC3=CC=C(C=C3)O)O)C(=O)NC(CCCN=C(N)N)C=O
+CH$IUPAC: InChI=1S/C31H42N6O7/c1-19-15-26(28(42)35-22(18-38)3-2-14-34-31(32)33)37(17-19)30(44)25(13-8-20-4-9-23(39)10-5-20)36-29(43)27(41)16-21-6-11-24(40)12-7-21/h4-7,9-12,18-19,22,25-27,39-41H,2-3,8,13-17H2,1H3,(H,35,42)(H,36,43)(H4,32,33,34)/t19-,22?,25+,26-,27+/m0/s1
+CH$LINK: PUBCHEM CID:71449303
+CH$LINK: INCHIKEY GNEMRCVXTBTWCG-NBJYBXKZSA-N
+CH$LINK: CHEMSPIDER 28650262
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 64-645
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.053 min
+MS$FOCUSED_ION: BASE_PEAK 132.9579
+MS$FOCUSED_ION: PRECURSOR_M/Z 611.3188
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-001r-9700000000-4a67297cae2374fba3ef
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  67.0542 C5H7+ 1 67.0542 -0.89
+  82.0651 C5H8N+ 1 82.0651 -0.82
+  84.0807 C5H10N+ 1 84.0808 -0.88
+  91.0542 C7H7+ 1 91.0542 -0.8
+  99.0915 C5H11N2+ 1 99.0917 -1.55
+  100.0755 C5H10NO+ 1 100.0757 -1.5
+  107.0491 C7H7O+ 1 107.0491 -0.78
+  119.049 C8H7O+ 1 119.0491 -1.4
+  136.0753 C8H10NO+ 1 136.0757 -2.65
+  165.1382 C10H17N2+ 1 165.1386 -2.42
+  193.1328 C11H17N2O+ 2 193.1335 -3.94
+PK$NUM_PEAK: 11
+PK$PEAK: m/z int. rel.int.
+  67.0542 40642.1 19
+  82.0651 121076.5 58
+  84.0807 2072465 999
+  91.0542 336093.2 162
+  99.0915 122718.3 59
+  100.0755 104324.5 50
+  107.0491 192512.9 92
+  119.049 336910.4 162
+  136.0753 1463318.1 705
+  165.1382 237069.7 114
+  193.1328 38415.4 18
+//
diff --git a/Eawag/MSBNK-EAWAG-EC122809.txt b/Eawag/MSBNK-EAWAG-EC122809.txt
new file mode 100644
index 0000000000..f7ef936490
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC122809.txt
@@ -0,0 +1,66 @@
+ACCESSION: MSBNK-EAWAG-EC122809
+RECORD_TITLE: Spumigin E (and isomers); LC-ESI-QFT; MS2; CE: 80%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], F. Rios Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1093/femsec/fiaa243
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 1228
+CH$NAME: Spumigin E (and isomers)
+CH$NAME: (2S,4S)-N-[5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1-[(2R)-2-[[(2R)-2-hydroxy-3-(4-hydroxyphenyl)propanoyl]amino]-4-(4-hydroxyphenyl)butanoyl]-4-methylpyrrolidine-2-carboxamide
+CH$NAME: (2S,4S)-N-(5-guanidino-1-oxopentan-2-yl)-1-((R)-2-((R)-2-hydroxy-3-(4-hydroxyphenyl)propanamido)-4-(4-hydroxyphenyl)butanoyl)-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H42N6O7
+CH$EXACT_MASS: 610.3114977
+CH$SMILES: C[C@H]1C[C@H](N(C1)C(=O)[C@@H](CCC2=CC=C(C=C2)O)NC(=O)[C@@H](CC3=CC=C(C=C3)O)O)C(=O)NC(CCCN=C(N)N)C=O
+CH$IUPAC: InChI=1S/C31H42N6O7/c1-19-15-26(28(42)35-22(18-38)3-2-14-34-31(32)33)37(17-19)30(44)25(13-8-20-4-9-23(39)10-5-20)36-29(43)27(41)16-21-6-11-24(40)12-7-21/h4-7,9-12,18-19,22,25-27,39-41H,2-3,8,13-17H2,1H3,(H,35,42)(H,36,43)(H4,32,33,34)/t19-,22?,25+,26-,27+/m0/s1
+CH$LINK: PUBCHEM CID:71449303
+CH$LINK: INCHIKEY GNEMRCVXTBTWCG-NBJYBXKZSA-N
+CH$LINK: CHEMSPIDER 28650262
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 64-645
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.053 min
+MS$FOCUSED_ION: BASE_PEAK 132.9579
+MS$FOCUSED_ION: PRECURSOR_M/Z 611.3188
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-001r-9500000000-396297a1fc47e8a93ffb
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  67.0542 C5H7+ 1 67.0542 0.25
+  82.0651 C5H8N+ 1 82.0651 -0.44
+  84.0807 C5H10N+ 1 84.0808 -1.06
+  91.0541 C7H7+ 1 91.0542 -0.97
+  99.0915 C5H11N2+ 1 99.0917 -1.78
+  100.0756 C5H10NO+ 1 100.0757 -0.73
+  107.049 C7H7O+ 1 107.0491 -1.77
+  118.0652 C8H8N+ 1 118.0651 0.31
+  119.049 C8H7O+ 1 119.0491 -1.59
+  136.0753 C8H10NO+ 1 136.0757 -3.1
+  165.1382 C10H17N2+ 1 165.1386 -2.6
+PK$NUM_PEAK: 11
+PK$PEAK: m/z int. rel.int.
+  67.0542 55849.9 30
+  82.0651 168330.1 92
+  84.0807 1816721.5 999
+  91.0541 775604.6 426
+  99.0915 90682.8 49
+  100.0756 93878.3 51
+  107.049 257184.3 141
+  118.0652 40051.8 22
+  119.049 432861.9 238
+  136.0753 959557.5 527
+  165.1382 114488 62
+//
diff --git a/Eawag/MSBNK-EAWAG-EC122851.txt b/Eawag/MSBNK-EAWAG-EC122851.txt
new file mode 100644
index 0000000000..f640fb8698
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC122851.txt
@@ -0,0 +1,46 @@
+ACCESSION: MSBNK-EAWAG-EC122851
+RECORD_TITLE: Spumigin E (and isomers); LC-ESI-QFT; MS2; CE: 15%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], F. Rios Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1093/femsec/fiaa243
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 1228
+CH$NAME: Spumigin E (and isomers)
+CH$NAME: (2S,4S)-N-[5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1-[(2R)-2-[[(2R)-2-hydroxy-3-(4-hydroxyphenyl)propanoyl]amino]-4-(4-hydroxyphenyl)butanoyl]-4-methylpyrrolidine-2-carboxamide
+CH$NAME: (2S,4S)-N-(5-guanidino-1-oxopentan-2-yl)-1-((R)-2-((R)-2-hydroxy-3-(4-hydroxyphenyl)propanamido)-4-(4-hydroxyphenyl)butanoyl)-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H42N6O7
+CH$EXACT_MASS: 610.3114977
+CH$SMILES: C[C@H]1C[C@H](N(C1)C(=O)[C@@H](CCC2=CC=C(C=C2)O)NC(=O)[C@@H](CC3=CC=C(C=C3)O)O)C(=O)NC(CCCN=C(N)N)C=O
+CH$IUPAC: InChI=1S/C31H42N6O7/c1-19-15-26(28(42)35-22(18-38)3-2-14-34-31(32)33)37(17-19)30(44)25(13-8-20-4-9-23(39)10-5-20)36-29(43)27(41)16-21-6-11-24(40)12-7-21/h4-7,9-12,18-19,22,25-27,39-41H,2-3,8,13-17H2,1H3,(H,35,42)(H,36,43)(H4,32,33,34)/t19-,22?,25+,26-,27+/m0/s1
+CH$LINK: PUBCHEM CID:71449303
+CH$LINK: INCHIKEY GNEMRCVXTBTWCG-NBJYBXKZSA-N
+CH$LINK: CHEMSPIDER 28650262
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 64-643
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.629 min
+MS$FOCUSED_ION: BASE_PEAK 146.9381
+MS$FOCUSED_ION: PRECURSOR_M/Z 609.3042
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0a4i-0000009000-c555d2a581fe87051c09
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  609.304 C31H41N6O7- 1 609.3042 -0.36
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  609.304 1839002.9 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC122852.txt b/Eawag/MSBNK-EAWAG-EC122852.txt
new file mode 100644
index 0000000000..969c8018fc
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC122852.txt
@@ -0,0 +1,48 @@
+ACCESSION: MSBNK-EAWAG-EC122852
+RECORD_TITLE: Spumigin E (and isomers); LC-ESI-QFT; MS2; CE: 20%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], F. Rios Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1093/femsec/fiaa243
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 1228
+CH$NAME: Spumigin E (and isomers)
+CH$NAME: (2S,4S)-N-[5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1-[(2R)-2-[[(2R)-2-hydroxy-3-(4-hydroxyphenyl)propanoyl]amino]-4-(4-hydroxyphenyl)butanoyl]-4-methylpyrrolidine-2-carboxamide
+CH$NAME: (2S,4S)-N-(5-guanidino-1-oxopentan-2-yl)-1-((R)-2-((R)-2-hydroxy-3-(4-hydroxyphenyl)propanamido)-4-(4-hydroxyphenyl)butanoyl)-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H42N6O7
+CH$EXACT_MASS: 610.3114977
+CH$SMILES: C[C@H]1C[C@H](N(C1)C(=O)[C@@H](CCC2=CC=C(C=C2)O)NC(=O)[C@@H](CC3=CC=C(C=C3)O)O)C(=O)NC(CCCN=C(N)N)C=O
+CH$IUPAC: InChI=1S/C31H42N6O7/c1-19-15-26(28(42)35-22(18-38)3-2-14-34-31(32)33)37(17-19)30(44)25(13-8-20-4-9-23(39)10-5-20)36-29(43)27(41)16-21-6-11-24(40)12-7-21/h4-7,9-12,18-19,22,25-27,39-41H,2-3,8,13-17H2,1H3,(H,35,42)(H,36,43)(H4,32,33,34)/t19-,22?,25+,26-,27+/m0/s1
+CH$LINK: PUBCHEM CID:71449303
+CH$LINK: INCHIKEY GNEMRCVXTBTWCG-NBJYBXKZSA-N
+CH$LINK: CHEMSPIDER 28650262
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 64-643
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.629 min
+MS$FOCUSED_ION: BASE_PEAK 146.9381
+MS$FOCUSED_ION: PRECURSOR_M/Z 609.3042
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0a4i-0000019000-50667394782d8eb62809
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  503.2616 C24H35N6O6- 2 503.2624 -1.47
+  609.3039 C31H41N6O7- 1 609.3042 -0.46
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  503.2616 200895.3 180
+  609.3039 1108888.1 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC122853.txt b/Eawag/MSBNK-EAWAG-EC122853.txt
new file mode 100644
index 0000000000..6bf3ed7170
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC122853.txt
@@ -0,0 +1,48 @@
+ACCESSION: MSBNK-EAWAG-EC122853
+RECORD_TITLE: Spumigin E (and isomers); LC-ESI-QFT; MS2; CE: 25%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], F. Rios Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1093/femsec/fiaa243
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 1228
+CH$NAME: Spumigin E (and isomers)
+CH$NAME: (2S,4S)-N-[5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1-[(2R)-2-[[(2R)-2-hydroxy-3-(4-hydroxyphenyl)propanoyl]amino]-4-(4-hydroxyphenyl)butanoyl]-4-methylpyrrolidine-2-carboxamide
+CH$NAME: (2S,4S)-N-(5-guanidino-1-oxopentan-2-yl)-1-((R)-2-((R)-2-hydroxy-3-(4-hydroxyphenyl)propanamido)-4-(4-hydroxyphenyl)butanoyl)-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H42N6O7
+CH$EXACT_MASS: 610.3114977
+CH$SMILES: C[C@H]1C[C@H](N(C1)C(=O)[C@@H](CCC2=CC=C(C=C2)O)NC(=O)[C@@H](CC3=CC=C(C=C3)O)O)C(=O)NC(CCCN=C(N)N)C=O
+CH$IUPAC: InChI=1S/C31H42N6O7/c1-19-15-26(28(42)35-22(18-38)3-2-14-34-31(32)33)37(17-19)30(44)25(13-8-20-4-9-23(39)10-5-20)36-29(43)27(41)16-21-6-11-24(40)12-7-21/h4-7,9-12,18-19,22,25-27,39-41H,2-3,8,13-17H2,1H3,(H,35,42)(H,36,43)(H4,32,33,34)/t19-,22?,25+,26-,27+/m0/s1
+CH$LINK: PUBCHEM CID:71449303
+CH$LINK: INCHIKEY GNEMRCVXTBTWCG-NBJYBXKZSA-N
+CH$LINK: CHEMSPIDER 28650262
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 64-643
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.629 min
+MS$FOCUSED_ION: BASE_PEAK 146.9381
+MS$FOCUSED_ION: PRECURSOR_M/Z 609.3042
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0pb9-0000089000-e77428fc92d293dfa64d
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  503.2616 C24H35N6O6- 2 503.2624 -1.41
+  609.3031 C31H41N6O7- 1 609.3042 -1.76
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  503.2616 404963.8 901
+  609.3031 448906.2 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC122901.txt b/Eawag/MSBNK-EAWAG-EC122901.txt
new file mode 100644
index 0000000000..5922b299ed
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC122901.txt
@@ -0,0 +1,48 @@
+ACCESSION: MSBNK-EAWAG-EC122901
+RECORD_TITLE: Spumigin K (and isomers); LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], F. Rios Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.7b00370
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 1229
+CH$NAME: Spumigin K (and isomers)
+CH$NAME: (2S)-N-(1-carbamimidoyl-2-hydroxypiperidin-3-yl)-1-((2R)-2-(2-hydroxy-4-(4-hydroxyphenyl)butanamido)-3-(4-hydroxyphenyl)propanoyl)-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H42N6O7
+CH$EXACT_MASS: 610.3114977
+CH$SMILES: OC1=CC=C(CCC(O)C(N[C@H](CC2=CC=C(O)C=C2)C(N3[C@H](C(N[C@H](CCCN4C(N)=N)C4O)=O)CC(C)C3)=O)=O)C=C1
+CH$IUPAC: InChI=1S/C31H42N6O7/c1-18-15-25(27(41)34-23-3-2-14-36(29(23)43)31(32)33)37(17-18)30(44)24(16-20-6-11-22(39)12-7-20)35-28(42)26(40)13-8-19-4-9-21(38)10-5-19/h4-7,9-12,18,23-26,29,38-40,43H,2-3,8,13-17H2,1H3,(H3,32,33)(H,34,41)(H,35,42)/t18?,23-,24-,25+,26?,29?/m1/s1
+CH$LINK: PUBCHEM CID:146684839
+CH$LINK: INCHIKEY CUYCVKFWPTWZJN-XLOUHILKSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 64-645
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.053 min
+MS$FOCUSED_ION: BASE_PEAK 132.9579
+MS$FOCUSED_ION: PRECURSOR_M/Z 611.3188
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-01ox-0000095000-5acdd6603dfd1151cf98
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  551.286 C30H39N4O6+ 1 551.2864 -0.67
+  593.3082 C31H41N6O6+ 1 593.3082 -0.1
+  611.3188 C31H43N6O7+ 1 611.3188 0.06
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  551.286 354173.7 76
+  593.3082 4610501 999
+  611.3188 3006440.2 651
+//
diff --git a/Eawag/MSBNK-EAWAG-EC122902.txt b/Eawag/MSBNK-EAWAG-EC122902.txt
new file mode 100644
index 0000000000..23b11c1652
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC122902.txt
@@ -0,0 +1,48 @@
+ACCESSION: MSBNK-EAWAG-EC122902
+RECORD_TITLE: Spumigin K (and isomers); LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], F. Rios Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.7b00370
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 1229
+CH$NAME: Spumigin K (and isomers)
+CH$NAME: (2S)-N-(1-carbamimidoyl-2-hydroxypiperidin-3-yl)-1-((2R)-2-(2-hydroxy-4-(4-hydroxyphenyl)butanamido)-3-(4-hydroxyphenyl)propanoyl)-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H42N6O7
+CH$EXACT_MASS: 610.3114977
+CH$SMILES: OC1=CC=C(CCC(O)C(N[C@H](CC2=CC=C(O)C=C2)C(N3[C@H](C(N[C@H](CCCN4C(N)=N)C4O)=O)CC(C)C3)=O)=O)C=C1
+CH$IUPAC: InChI=1S/C31H42N6O7/c1-18-15-25(27(41)34-23-3-2-14-36(29(23)43)31(32)33)37(17-18)30(44)24(16-20-6-11-22(39)12-7-20)35-28(42)26(40)13-8-19-4-9-21(38)10-5-19/h4-7,9-12,18,23-26,29,38-40,43H,2-3,8,13-17H2,1H3,(H3,32,33)(H,34,41)(H,35,42)/t18?,23-,24-,25+,26?,29?/m1/s1
+CH$LINK: PUBCHEM CID:146684839
+CH$LINK: INCHIKEY CUYCVKFWPTWZJN-XLOUHILKSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 64-645
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.053 min
+MS$FOCUSED_ION: BASE_PEAK 132.9579
+MS$FOCUSED_ION: PRECURSOR_M/Z 611.3188
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0006-0000093000-c27cf10f37a349bf5236
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  551.2857 C30H39N4O6+ 1 551.2864 -1.34
+  593.3081 C31H41N6O6+ 1 593.3082 -0.2
+  611.3187 C31H43N6O7+ 1 611.3188 -0.04
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  551.2857 577053.3 119
+  593.3081 4819432.5 999
+  611.3187 2269546 470
+//
diff --git a/Eawag/MSBNK-EAWAG-EC122903.txt b/Eawag/MSBNK-EAWAG-EC122903.txt
new file mode 100644
index 0000000000..3569935054
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC122903.txt
@@ -0,0 +1,52 @@
+ACCESSION: MSBNK-EAWAG-EC122903
+RECORD_TITLE: Spumigin K (and isomers); LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], F. Rios Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.7b00370
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 1229
+CH$NAME: Spumigin K (and isomers)
+CH$NAME: (2S)-N-(1-carbamimidoyl-2-hydroxypiperidin-3-yl)-1-((2R)-2-(2-hydroxy-4-(4-hydroxyphenyl)butanamido)-3-(4-hydroxyphenyl)propanoyl)-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H42N6O7
+CH$EXACT_MASS: 610.3114977
+CH$SMILES: OC1=CC=C(CCC(O)C(N[C@H](CC2=CC=C(O)C=C2)C(N3[C@H](C(N[C@H](CCCN4C(N)=N)C4O)=O)CC(C)C3)=O)=O)C=C1
+CH$IUPAC: InChI=1S/C31H42N6O7/c1-18-15-25(27(41)34-23-3-2-14-36(29(23)43)31(32)33)37(17-18)30(44)24(16-20-6-11-22(39)12-7-20)35-28(42)26(40)13-8-19-4-9-21(38)10-5-19/h4-7,9-12,18,23-26,29,38-40,43H,2-3,8,13-17H2,1H3,(H3,32,33)(H,34,41)(H,35,42)/t18?,23-,24-,25+,26?,29?/m1/s1
+CH$LINK: PUBCHEM CID:146684839
+CH$LINK: INCHIKEY CUYCVKFWPTWZJN-XLOUHILKSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 64-645
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.053 min
+MS$FOCUSED_ION: BASE_PEAK 132.9579
+MS$FOCUSED_ION: PRECURSOR_M/Z 611.3188
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0006-0000092000-3ce5785ece2952b096df
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  84.0807 C5H10N+ 1 84.0808 -0.33
+  210.1594 C9H18N6+ 2 210.1587 2.92
+  551.2861 C30H39N4O6+ 1 551.2864 -0.56
+  593.3081 C31H41N6O6+ 1 593.3082 -0.2
+  611.3187 C31H43N6O7+ 1 611.3188 -0.14
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  84.0807 233104.9 54
+  210.1594 283889.2 65
+  551.2861 758490.4 176
+  593.3081 4301185.5 999
+  611.3187 1380180.6 320
+//
diff --git a/Eawag/MSBNK-EAWAG-EC122904.txt b/Eawag/MSBNK-EAWAG-EC122904.txt
new file mode 100644
index 0000000000..80a7ae61fa
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC122904.txt
@@ -0,0 +1,60 @@
+ACCESSION: MSBNK-EAWAG-EC122904
+RECORD_TITLE: Spumigin K (and isomers); LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], F. Rios Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.7b00370
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 1229
+CH$NAME: Spumigin K (and isomers)
+CH$NAME: (2S)-N-(1-carbamimidoyl-2-hydroxypiperidin-3-yl)-1-((2R)-2-(2-hydroxy-4-(4-hydroxyphenyl)butanamido)-3-(4-hydroxyphenyl)propanoyl)-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H42N6O7
+CH$EXACT_MASS: 610.3114977
+CH$SMILES: OC1=CC=C(CCC(O)C(N[C@H](CC2=CC=C(O)C=C2)C(N3[C@H](C(N[C@H](CCCN4C(N)=N)C4O)=O)CC(C)C3)=O)=O)C=C1
+CH$IUPAC: InChI=1S/C31H42N6O7/c1-18-15-25(27(41)34-23-3-2-14-36(29(23)43)31(32)33)37(17-18)30(44)24(16-20-6-11-22(39)12-7-20)35-28(42)26(40)13-8-19-4-9-21(38)10-5-19/h4-7,9-12,18,23-26,29,38-40,43H,2-3,8,13-17H2,1H3,(H3,32,33)(H,34,41)(H,35,42)/t18?,23-,24-,25+,26?,29?/m1/s1
+CH$LINK: PUBCHEM CID:146684839
+CH$LINK: INCHIKEY CUYCVKFWPTWZJN-XLOUHILKSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 64-645
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.053 min
+MS$FOCUSED_ION: BASE_PEAK 132.9579
+MS$FOCUSED_ION: PRECURSOR_M/Z 611.3188
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0006-2020091000-c1781cc1b20c72e93170
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  84.0807 C5H10N+ 1 84.0808 -0.88
+  165.138 C10H17N2+ 1 165.1386 -3.52
+  210.1594 C9H18N6+ 2 210.1587 3
+  235.1548 C12H19N4O+ 2 235.1553 -2.39
+  252.1812 C11H26NO5+ 2 252.1805 2.71
+  342.1332 C19H20NO5+ 2 342.1336 -1.3
+  551.2861 C30H39N4O6+ 1 551.2864 -0.56
+  593.308 C31H41N6O6+ 1 593.3082 -0.41
+  611.3186 C31H43N6O7+ 1 611.3188 -0.34
+PK$NUM_PEAK: 9
+PK$PEAK: m/z int. rel.int.
+  84.0807 959993.1 353
+  165.138 230112.7 84
+  210.1594 806361.3 297
+  235.1548 110012.3 40
+  252.1812 69663.2 25
+  342.1332 143208.2 52
+  551.2861 618811.6 227
+  593.308 2712008.2 999
+  611.3186 526186.6 193
+//
diff --git a/Eawag/MSBNK-EAWAG-EC122905.txt b/Eawag/MSBNK-EAWAG-EC122905.txt
new file mode 100644
index 0000000000..826ee959ce
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC122905.txt
@@ -0,0 +1,74 @@
+ACCESSION: MSBNK-EAWAG-EC122905
+RECORD_TITLE: Spumigin K (and isomers); LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], F. Rios Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.7b00370
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 1229
+CH$NAME: Spumigin K (and isomers)
+CH$NAME: (2S)-N-(1-carbamimidoyl-2-hydroxypiperidin-3-yl)-1-((2R)-2-(2-hydroxy-4-(4-hydroxyphenyl)butanamido)-3-(4-hydroxyphenyl)propanoyl)-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H42N6O7
+CH$EXACT_MASS: 610.3114977
+CH$SMILES: OC1=CC=C(CCC(O)C(N[C@H](CC2=CC=C(O)C=C2)C(N3[C@H](C(N[C@H](CCCN4C(N)=N)C4O)=O)CC(C)C3)=O)=O)C=C1
+CH$IUPAC: InChI=1S/C31H42N6O7/c1-18-15-25(27(41)34-23-3-2-14-36(29(23)43)31(32)33)37(17-18)30(44)24(16-20-6-11-22(39)12-7-20)35-28(42)26(40)13-8-19-4-9-21(38)10-5-19/h4-7,9-12,18,23-26,29,38-40,43H,2-3,8,13-17H2,1H3,(H3,32,33)(H,34,41)(H,35,42)/t18?,23-,24-,25+,26?,29?/m1/s1
+CH$LINK: PUBCHEM CID:146684839
+CH$LINK: INCHIKEY CUYCVKFWPTWZJN-XLOUHILKSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 64-645
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.053 min
+MS$FOCUSED_ION: BASE_PEAK 132.9579
+MS$FOCUSED_ION: PRECURSOR_M/Z 611.3188
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-001i-9712000000-6130249e16ee49b79163
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  84.0807 C5H10N+ 1 84.0808 -0.42
+  99.0915 C5H11N2+ 1 99.0917 -1.62
+  100.0757 C5H10NO+ 1 100.0757 -0.35
+  127.0863 C6H11N2O+ 1 127.0866 -2.05
+  136.0754 C8H10NO+ 1 136.0757 -2.09
+  141.113 C6H13N4+ 1 141.1135 -3.46
+  142.0972 C6H12N3O+ 1 142.0975 -1.68
+  154.0971 C7H12N3O+ 1 154.0975 -2.38
+  165.1382 C10H17N2+ 1 165.1386 -2.69
+  193.1328 C11H17N2O+ 2 193.1335 -3.7
+  235.1545 C11H23O5+ 2 235.154 2.33
+  252.1812 C11H26NO5+ 2 252.1805 2.77
+  253.166 C12H21N4O2+ 2 253.1659 0.3
+  314.1382 C18H20NO4+ 2 314.1387 -1.4
+  342.1335 C19H20NO5+ 3 342.1336 -0.41
+  593.3078 C31H41N6O6+ 1 593.3082 -0.72
+PK$NUM_PEAK: 16
+PK$PEAK: m/z int. rel.int.
+  84.0807 2065447 999
+  99.0915 86834.4 41
+  100.0757 85599.9 41
+  127.0863 36373 17
+  136.0754 592350.3 286
+  141.113 43233.3 20
+  142.0972 75885.8 36
+  154.0971 28350.5 13
+  165.1382 733256.9 354
+  193.1328 124577.6 60
+  235.1545 127029.6 61
+  252.1812 81393.8 39
+  253.166 80248.7 38
+  314.1382 484664.4 234
+  342.1335 66829.2 32
+  593.3078 225750.5 109
+//
diff --git a/Eawag/MSBNK-EAWAG-EC122906.txt b/Eawag/MSBNK-EAWAG-EC122906.txt
new file mode 100644
index 0000000000..d88c4ae6cb
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC122906.txt
@@ -0,0 +1,70 @@
+ACCESSION: MSBNK-EAWAG-EC122906
+RECORD_TITLE: Spumigin K (and isomers); LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], F. Rios Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.7b00370
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 1229
+CH$NAME: Spumigin K (and isomers)
+CH$NAME: (2S)-N-(1-carbamimidoyl-2-hydroxypiperidin-3-yl)-1-((2R)-2-(2-hydroxy-4-(4-hydroxyphenyl)butanamido)-3-(4-hydroxyphenyl)propanoyl)-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H42N6O7
+CH$EXACT_MASS: 610.3114977
+CH$SMILES: OC1=CC=C(CCC(O)C(N[C@H](CC2=CC=C(O)C=C2)C(N3[C@H](C(N[C@H](CCCN4C(N)=N)C4O)=O)CC(C)C3)=O)=O)C=C1
+CH$IUPAC: InChI=1S/C31H42N6O7/c1-18-15-25(27(41)34-23-3-2-14-36(29(23)43)31(32)33)37(17-18)30(44)24(16-20-6-11-22(39)12-7-20)35-28(42)26(40)13-8-19-4-9-21(38)10-5-19/h4-7,9-12,18,23-26,29,38-40,43H,2-3,8,13-17H2,1H3,(H3,32,33)(H,34,41)(H,35,42)/t18?,23-,24-,25+,26?,29?/m1/s1
+CH$LINK: PUBCHEM CID:146684839
+CH$LINK: INCHIKEY CUYCVKFWPTWZJN-XLOUHILKSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 64-645
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.053 min
+MS$FOCUSED_ION: BASE_PEAK 132.9579
+MS$FOCUSED_ION: PRECURSOR_M/Z 611.3188
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-001r-8900000000-bdf9034365512a281bcd
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  82.0653 C5H8N+ 1 82.0651 1.88
+  84.0807 C5H10N+ 1 84.0808 -0.88
+  91.0542 C7H7+ 1 91.0542 -0.38
+  99.0916 C5H11N2+ 1 99.0917 -1.24
+  100.0755 C5H10NO+ 1 100.0757 -1.88
+  107.049 C7H7O+ 1 107.0491 -1.7
+  124.0866 C6H10N3+ 1 124.0869 -2.74
+  136.0753 C8H10NO+ 1 136.0757 -2.76
+  141.1135 C6H13N4+ 1 141.1135 0.11
+  154.0973 C7H12N3O+ 1 154.0975 -1.29
+  165.1381 C10H17N2+ 1 165.1386 -3.15
+  193.1327 C11H17N2O+ 2 193.1335 -4.49
+  210.1594 C9H18N6+ 2 210.1587 2.92
+  314.1386 C18H20NO4+ 3 314.1387 -0.13
+PK$NUM_PEAK: 14
+PK$PEAK: m/z int. rel.int.
+  82.0653 43210.5 18
+  84.0807 2300291.8 999
+  91.0542 32070.2 13
+  99.0916 160431.2 69
+  100.0755 109275.8 47
+  107.049 59555.8 25
+  124.0866 32287.5 14
+  136.0753 1600280.9 694
+  141.1135 44072.3 19
+  154.0973 34062.4 14
+  165.1381 720091.4 312
+  193.1327 141046.1 61
+  210.1594 175488.5 76
+  314.1386 163360.1 70
+//
diff --git a/Eawag/MSBNK-EAWAG-EC122907.txt b/Eawag/MSBNK-EAWAG-EC122907.txt
new file mode 100644
index 0000000000..8bdddffa34
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC122907.txt
@@ -0,0 +1,64 @@
+ACCESSION: MSBNK-EAWAG-EC122907
+RECORD_TITLE: Spumigin K (and isomers); LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], F. Rios Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.7b00370
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 1229
+CH$NAME: Spumigin K (and isomers)
+CH$NAME: (2S)-N-(1-carbamimidoyl-2-hydroxypiperidin-3-yl)-1-((2R)-2-(2-hydroxy-4-(4-hydroxyphenyl)butanamido)-3-(4-hydroxyphenyl)propanoyl)-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H42N6O7
+CH$EXACT_MASS: 610.3114977
+CH$SMILES: OC1=CC=C(CCC(O)C(N[C@H](CC2=CC=C(O)C=C2)C(N3[C@H](C(N[C@H](CCCN4C(N)=N)C4O)=O)CC(C)C3)=O)=O)C=C1
+CH$IUPAC: InChI=1S/C31H42N6O7/c1-18-15-25(27(41)34-23-3-2-14-36(29(23)43)31(32)33)37(17-18)30(44)24(16-20-6-11-22(39)12-7-20)35-28(42)26(40)13-8-19-4-9-21(38)10-5-19/h4-7,9-12,18,23-26,29,38-40,43H,2-3,8,13-17H2,1H3,(H3,32,33)(H,34,41)(H,35,42)/t18?,23-,24-,25+,26?,29?/m1/s1
+CH$LINK: PUBCHEM CID:146684839
+CH$LINK: INCHIKEY CUYCVKFWPTWZJN-XLOUHILKSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 64-645
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.053 min
+MS$FOCUSED_ION: BASE_PEAK 132.9579
+MS$FOCUSED_ION: PRECURSOR_M/Z 611.3188
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-001r-8900000000-622123009f3a690f9487
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  67.0542 C5H7+ 1 67.0542 -1.11
+  82.0651 C5H8N+ 1 82.0651 -0.44
+  84.0807 C5H10N+ 1 84.0808 -1.06
+  91.0541 C7H7+ 1 91.0542 -1.72
+  99.0916 C5H11N2+ 1 99.0917 -1.16
+  100.0755 C5H10NO+ 1 100.0757 -1.42
+  107.0489 C7H7O+ 1 107.0491 -2.2
+  119.0489 C8H7O+ 1 119.0491 -2.23
+  136.0753 C8H10NO+ 1 136.0757 -2.98
+  165.138 C10H17N2+ 1 165.1386 -3.62
+  193.1328 C11H17N2O+ 2 193.1335 -3.86
+PK$NUM_PEAK: 11
+PK$PEAK: m/z int. rel.int.
+  67.0542 29769.5 13
+  82.0651 77039.2 33
+  84.0807 2281875.5 999
+  91.0541 128899.1 56
+  99.0916 158040.9 69
+  100.0755 108367.3 47
+  107.0489 155797.8 68
+  119.0489 162017.2 70
+  136.0753 1823506.4 798
+  165.138 425872.9 186
+  193.1328 82064.6 35
+//
diff --git a/Eawag/MSBNK-EAWAG-EC122908.txt b/Eawag/MSBNK-EAWAG-EC122908.txt
new file mode 100644
index 0000000000..fd02c72bab
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC122908.txt
@@ -0,0 +1,64 @@
+ACCESSION: MSBNK-EAWAG-EC122908
+RECORD_TITLE: Spumigin K (and isomers); LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], F. Rios Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.7b00370
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 1229
+CH$NAME: Spumigin K (and isomers)
+CH$NAME: (2S)-N-(1-carbamimidoyl-2-hydroxypiperidin-3-yl)-1-((2R)-2-(2-hydroxy-4-(4-hydroxyphenyl)butanamido)-3-(4-hydroxyphenyl)propanoyl)-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H42N6O7
+CH$EXACT_MASS: 610.3114977
+CH$SMILES: OC1=CC=C(CCC(O)C(N[C@H](CC2=CC=C(O)C=C2)C(N3[C@H](C(N[C@H](CCCN4C(N)=N)C4O)=O)CC(C)C3)=O)=O)C=C1
+CH$IUPAC: InChI=1S/C31H42N6O7/c1-18-15-25(27(41)34-23-3-2-14-36(29(23)43)31(32)33)37(17-18)30(44)24(16-20-6-11-22(39)12-7-20)35-28(42)26(40)13-8-19-4-9-21(38)10-5-19/h4-7,9-12,18,23-26,29,38-40,43H,2-3,8,13-17H2,1H3,(H3,32,33)(H,34,41)(H,35,42)/t18?,23-,24-,25+,26?,29?/m1/s1
+CH$LINK: PUBCHEM CID:146684839
+CH$LINK: INCHIKEY CUYCVKFWPTWZJN-XLOUHILKSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 64-645
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.053 min
+MS$FOCUSED_ION: BASE_PEAK 132.9579
+MS$FOCUSED_ION: PRECURSOR_M/Z 611.3188
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-001r-9700000000-4a67297cae2374fba3ef
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  67.0542 C5H7+ 1 67.0542 -0.89
+  82.0651 C5H8N+ 1 82.0651 -0.82
+  84.0807 C5H10N+ 1 84.0808 -0.88
+  91.0542 C7H7+ 1 91.0542 -0.8
+  99.0915 C5H11N2+ 1 99.0917 -1.55
+  100.0755 C5H10NO+ 1 100.0757 -1.5
+  107.0491 C7H7O+ 1 107.0491 -0.78
+  119.049 C8H7O+ 1 119.0491 -1.4
+  136.0753 C8H10NO+ 1 136.0757 -2.65
+  165.1382 C10H17N2+ 1 165.1386 -2.42
+  193.1328 C11H17N2O+ 2 193.1335 -3.94
+PK$NUM_PEAK: 11
+PK$PEAK: m/z int. rel.int.
+  67.0542 40642.1 19
+  82.0651 121076.5 58
+  84.0807 2072465 999
+  91.0542 336093.2 162
+  99.0915 122718.3 59
+  100.0755 104324.5 50
+  107.0491 192512.9 92
+  119.049 336910.4 162
+  136.0753 1463318.1 705
+  165.1382 237069.7 114
+  193.1328 38415.4 18
+//
diff --git a/Eawag/MSBNK-EAWAG-EC122909.txt b/Eawag/MSBNK-EAWAG-EC122909.txt
new file mode 100644
index 0000000000..c05dcc704f
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC122909.txt
@@ -0,0 +1,64 @@
+ACCESSION: MSBNK-EAWAG-EC122909
+RECORD_TITLE: Spumigin K (and isomers); LC-ESI-QFT; MS2; CE: 80%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], F. Rios Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.7b00370
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 1229
+CH$NAME: Spumigin K (and isomers)
+CH$NAME: (2S)-N-(1-carbamimidoyl-2-hydroxypiperidin-3-yl)-1-((2R)-2-(2-hydroxy-4-(4-hydroxyphenyl)butanamido)-3-(4-hydroxyphenyl)propanoyl)-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H42N6O7
+CH$EXACT_MASS: 610.3114977
+CH$SMILES: OC1=CC=C(CCC(O)C(N[C@H](CC2=CC=C(O)C=C2)C(N3[C@H](C(N[C@H](CCCN4C(N)=N)C4O)=O)CC(C)C3)=O)=O)C=C1
+CH$IUPAC: InChI=1S/C31H42N6O7/c1-18-15-25(27(41)34-23-3-2-14-36(29(23)43)31(32)33)37(17-18)30(44)24(16-20-6-11-22(39)12-7-20)35-28(42)26(40)13-8-19-4-9-21(38)10-5-19/h4-7,9-12,18,23-26,29,38-40,43H,2-3,8,13-17H2,1H3,(H3,32,33)(H,34,41)(H,35,42)/t18?,23-,24-,25+,26?,29?/m1/s1
+CH$LINK: PUBCHEM CID:146684839
+CH$LINK: INCHIKEY CUYCVKFWPTWZJN-XLOUHILKSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 64-645
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.053 min
+MS$FOCUSED_ION: BASE_PEAK 132.9579
+MS$FOCUSED_ION: PRECURSOR_M/Z 611.3188
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-001r-9500000000-396297a1fc47e8a93ffb
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  67.0542 C5H7+ 1 67.0542 0.25
+  82.0651 C5H8N+ 1 82.0651 -0.44
+  84.0807 C5H10N+ 1 84.0808 -1.06
+  91.0541 C7H7+ 1 91.0542 -0.97
+  99.0915 C5H11N2+ 1 99.0917 -1.78
+  100.0756 C5H10NO+ 1 100.0757 -0.73
+  107.049 C7H7O+ 1 107.0491 -1.77
+  118.0652 C8H8N+ 1 118.0651 0.31
+  119.049 C8H7O+ 1 119.0491 -1.59
+  136.0753 C8H10NO+ 1 136.0757 -3.1
+  165.1382 C10H17N2+ 1 165.1386 -2.6
+PK$NUM_PEAK: 11
+PK$PEAK: m/z int. rel.int.
+  67.0542 55849.9 30
+  82.0651 168330.1 92
+  84.0807 1816721.5 999
+  91.0541 775604.6 426
+  99.0915 90682.8 49
+  100.0756 93878.3 51
+  107.049 257184.3 141
+  118.0652 40051.8 22
+  119.049 432861.9 238
+  136.0753 959557.5 527
+  165.1382 114488 62
+//
diff --git a/Eawag/MSBNK-EAWAG-EC122951.txt b/Eawag/MSBNK-EAWAG-EC122951.txt
new file mode 100644
index 0000000000..47ea4ce68b
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC122951.txt
@@ -0,0 +1,44 @@
+ACCESSION: MSBNK-EAWAG-EC122951
+RECORD_TITLE: Spumigin K (and isomers); LC-ESI-QFT; MS2; CE: 15%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], F. Rios Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.7b00370
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 1229
+CH$NAME: Spumigin K (and isomers)
+CH$NAME: (2S)-N-(1-carbamimidoyl-2-hydroxypiperidin-3-yl)-1-((2R)-2-(2-hydroxy-4-(4-hydroxyphenyl)butanamido)-3-(4-hydroxyphenyl)propanoyl)-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H42N6O7
+CH$EXACT_MASS: 610.3114977
+CH$SMILES: OC1=CC=C(CCC(O)C(N[C@H](CC2=CC=C(O)C=C2)C(N3[C@H](C(N[C@H](CCCN4C(N)=N)C4O)=O)CC(C)C3)=O)=O)C=C1
+CH$IUPAC: InChI=1S/C31H42N6O7/c1-18-15-25(27(41)34-23-3-2-14-36(29(23)43)31(32)33)37(17-18)30(44)24(16-20-6-11-22(39)12-7-20)35-28(42)26(40)13-8-19-4-9-21(38)10-5-19/h4-7,9-12,18,23-26,29,38-40,43H,2-3,8,13-17H2,1H3,(H3,32,33)(H,34,41)(H,35,42)/t18?,23-,24-,25+,26?,29?/m1/s1
+CH$LINK: PUBCHEM CID:146684839
+CH$LINK: INCHIKEY CUYCVKFWPTWZJN-XLOUHILKSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 64-643
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.629 min
+MS$FOCUSED_ION: BASE_PEAK 146.9381
+MS$FOCUSED_ION: PRECURSOR_M/Z 609.3042
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0a4i-0000009000-c555d2a581fe87051c09
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  609.304 C31H41N6O7- 1 609.3042 -0.36
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  609.304 1839002.9 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC122952.txt b/Eawag/MSBNK-EAWAG-EC122952.txt
new file mode 100644
index 0000000000..e76d30a5d0
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC122952.txt
@@ -0,0 +1,46 @@
+ACCESSION: MSBNK-EAWAG-EC122952
+RECORD_TITLE: Spumigin K (and isomers); LC-ESI-QFT; MS2; CE: 20%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], F. Rios Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.7b00370
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 1229
+CH$NAME: Spumigin K (and isomers)
+CH$NAME: (2S)-N-(1-carbamimidoyl-2-hydroxypiperidin-3-yl)-1-((2R)-2-(2-hydroxy-4-(4-hydroxyphenyl)butanamido)-3-(4-hydroxyphenyl)propanoyl)-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H42N6O7
+CH$EXACT_MASS: 610.3114977
+CH$SMILES: OC1=CC=C(CCC(O)C(N[C@H](CC2=CC=C(O)C=C2)C(N3[C@H](C(N[C@H](CCCN4C(N)=N)C4O)=O)CC(C)C3)=O)=O)C=C1
+CH$IUPAC: InChI=1S/C31H42N6O7/c1-18-15-25(27(41)34-23-3-2-14-36(29(23)43)31(32)33)37(17-18)30(44)24(16-20-6-11-22(39)12-7-20)35-28(42)26(40)13-8-19-4-9-21(38)10-5-19/h4-7,9-12,18,23-26,29,38-40,43H,2-3,8,13-17H2,1H3,(H3,32,33)(H,34,41)(H,35,42)/t18?,23-,24-,25+,26?,29?/m1/s1
+CH$LINK: PUBCHEM CID:146684839
+CH$LINK: INCHIKEY CUYCVKFWPTWZJN-XLOUHILKSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 64-643
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.629 min
+MS$FOCUSED_ION: BASE_PEAK 146.9381
+MS$FOCUSED_ION: PRECURSOR_M/Z 609.3042
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0a4i-0000019000-50667394782d8eb62809
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  503.2616 C24H35N6O6- 2 503.2624 -1.47
+  609.3039 C31H41N6O7- 1 609.3042 -0.46
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  503.2616 200895.3 180
+  609.3039 1108888.1 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC122953.txt b/Eawag/MSBNK-EAWAG-EC122953.txt
new file mode 100644
index 0000000000..a56b29bd5c
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC122953.txt
@@ -0,0 +1,46 @@
+ACCESSION: MSBNK-EAWAG-EC122953
+RECORD_TITLE: Spumigin K (and isomers); LC-ESI-QFT; MS2; CE: 25%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], F. Rios Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.7b00370
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 1229
+CH$NAME: Spumigin K (and isomers)
+CH$NAME: (2S)-N-(1-carbamimidoyl-2-hydroxypiperidin-3-yl)-1-((2R)-2-(2-hydroxy-4-(4-hydroxyphenyl)butanamido)-3-(4-hydroxyphenyl)propanoyl)-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H42N6O7
+CH$EXACT_MASS: 610.3114977
+CH$SMILES: OC1=CC=C(CCC(O)C(N[C@H](CC2=CC=C(O)C=C2)C(N3[C@H](C(N[C@H](CCCN4C(N)=N)C4O)=O)CC(C)C3)=O)=O)C=C1
+CH$IUPAC: InChI=1S/C31H42N6O7/c1-18-15-25(27(41)34-23-3-2-14-36(29(23)43)31(32)33)37(17-18)30(44)24(16-20-6-11-22(39)12-7-20)35-28(42)26(40)13-8-19-4-9-21(38)10-5-19/h4-7,9-12,18,23-26,29,38-40,43H,2-3,8,13-17H2,1H3,(H3,32,33)(H,34,41)(H,35,42)/t18?,23-,24-,25+,26?,29?/m1/s1
+CH$LINK: PUBCHEM CID:146684839
+CH$LINK: INCHIKEY CUYCVKFWPTWZJN-XLOUHILKSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 64-643
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.629 min
+MS$FOCUSED_ION: BASE_PEAK 146.9381
+MS$FOCUSED_ION: PRECURSOR_M/Z 609.3042
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0pb9-0000089000-e77428fc92d293dfa64d
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  503.2616 C24H35N6O6- 2 503.2624 -1.41
+  609.3031 C31H41N6O7- 1 609.3042 -1.76
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  503.2616 404963.8 901
+  609.3031 448906.2 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC123001.txt b/Eawag/MSBNK-EAWAG-EC123001.txt
new file mode 100644
index 0000000000..2c073d4b15
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC123001.txt
@@ -0,0 +1,48 @@
+ACCESSION: MSBNK-EAWAG-EC123001
+RECORD_TITLE: Spumigin L (and isomers); LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], F. Rios Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.7b00370
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 1230
+CH$NAME: Spumigin L (and isomers)
+CH$NAME: (2S)-N-[(3S)-1-carbamimidoyl-2-hydroxypiperidin-3-yl]-1-[(2R)-2-[[2-hydroxy-4-(4-hydroxyphenyl)butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H42N6O7
+CH$EXACT_MASS: 610.3114977
+CH$SMILES: OC1=CC=C(CCC(O)C(N[C@H](CC2=CC=C(O)C=C2)C(N3[C@H](C(N[C@@H](CCCN4C(N)=N)C4O)=O)CC(C)C3)=O)=O)C=C1
+CH$IUPAC: InChI=1S/C31H42N6O7/c1-18-15-25(27(41)34-23-3-2-14-36(29(23)43)31(32)33)37(17-18)30(44)24(16-20-6-11-22(39)12-7-20)35-28(42)26(40)13-8-19-4-9-21(38)10-5-19/h4-7,9-12,18,23-26,29,38-40,43H,2-3,8,13-17H2,1H3,(H3,32,33)(H,34,41)(H,35,42)/t18?,23-,24+,25-,26?,29?/m0/s1
+CH$LINK: PUBCHEM CID:146684840
+CH$LINK: INCHIKEY CUYCVKFWPTWZJN-HPGRWYDASA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 64-645
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.053 min
+MS$FOCUSED_ION: BASE_PEAK 132.9579
+MS$FOCUSED_ION: PRECURSOR_M/Z 611.3188
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-01ox-0000095000-5acdd6603dfd1151cf98
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  551.286 C30H39N4O6+ 1 551.2864 -0.67
+  593.3082 C31H41N6O6+ 1 593.3082 -0.1
+  611.3188 C31H43N6O7+ 1 611.3188 0.06
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  551.286 354173.7 76
+  593.3082 4610501 999
+  611.3188 3006440.2 651
+//
diff --git a/Eawag/MSBNK-EAWAG-EC123002.txt b/Eawag/MSBNK-EAWAG-EC123002.txt
new file mode 100644
index 0000000000..67035fd4b4
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC123002.txt
@@ -0,0 +1,48 @@
+ACCESSION: MSBNK-EAWAG-EC123002
+RECORD_TITLE: Spumigin L (and isomers); LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], F. Rios Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.7b00370
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 1230
+CH$NAME: Spumigin L (and isomers)
+CH$NAME: (2S)-N-[(3S)-1-carbamimidoyl-2-hydroxypiperidin-3-yl]-1-[(2R)-2-[[2-hydroxy-4-(4-hydroxyphenyl)butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H42N6O7
+CH$EXACT_MASS: 610.3114977
+CH$SMILES: OC1=CC=C(CCC(O)C(N[C@H](CC2=CC=C(O)C=C2)C(N3[C@H](C(N[C@@H](CCCN4C(N)=N)C4O)=O)CC(C)C3)=O)=O)C=C1
+CH$IUPAC: InChI=1S/C31H42N6O7/c1-18-15-25(27(41)34-23-3-2-14-36(29(23)43)31(32)33)37(17-18)30(44)24(16-20-6-11-22(39)12-7-20)35-28(42)26(40)13-8-19-4-9-21(38)10-5-19/h4-7,9-12,18,23-26,29,38-40,43H,2-3,8,13-17H2,1H3,(H3,32,33)(H,34,41)(H,35,42)/t18?,23-,24+,25-,26?,29?/m0/s1
+CH$LINK: PUBCHEM CID:146684840
+CH$LINK: INCHIKEY CUYCVKFWPTWZJN-HPGRWYDASA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 64-645
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.053 min
+MS$FOCUSED_ION: BASE_PEAK 132.9579
+MS$FOCUSED_ION: PRECURSOR_M/Z 611.3188
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0006-0000093000-c27cf10f37a349bf5236
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  551.2857 C30H39N4O6+ 1 551.2864 -1.34
+  593.3081 C31H41N6O6+ 1 593.3082 -0.2
+  611.3187 C31H43N6O7+ 1 611.3188 -0.04
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  551.2857 577053.3 119
+  593.3081 4819432.5 999
+  611.3187 2269546 470
+//
diff --git a/Eawag/MSBNK-EAWAG-EC123003.txt b/Eawag/MSBNK-EAWAG-EC123003.txt
new file mode 100644
index 0000000000..03905e3560
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC123003.txt
@@ -0,0 +1,52 @@
+ACCESSION: MSBNK-EAWAG-EC123003
+RECORD_TITLE: Spumigin L (and isomers); LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], F. Rios Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.7b00370
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 1230
+CH$NAME: Spumigin L (and isomers)
+CH$NAME: (2S)-N-[(3S)-1-carbamimidoyl-2-hydroxypiperidin-3-yl]-1-[(2R)-2-[[2-hydroxy-4-(4-hydroxyphenyl)butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H42N6O7
+CH$EXACT_MASS: 610.3114977
+CH$SMILES: OC1=CC=C(CCC(O)C(N[C@H](CC2=CC=C(O)C=C2)C(N3[C@H](C(N[C@@H](CCCN4C(N)=N)C4O)=O)CC(C)C3)=O)=O)C=C1
+CH$IUPAC: InChI=1S/C31H42N6O7/c1-18-15-25(27(41)34-23-3-2-14-36(29(23)43)31(32)33)37(17-18)30(44)24(16-20-6-11-22(39)12-7-20)35-28(42)26(40)13-8-19-4-9-21(38)10-5-19/h4-7,9-12,18,23-26,29,38-40,43H,2-3,8,13-17H2,1H3,(H3,32,33)(H,34,41)(H,35,42)/t18?,23-,24+,25-,26?,29?/m0/s1
+CH$LINK: PUBCHEM CID:146684840
+CH$LINK: INCHIKEY CUYCVKFWPTWZJN-HPGRWYDASA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 64-645
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.053 min
+MS$FOCUSED_ION: BASE_PEAK 132.9579
+MS$FOCUSED_ION: PRECURSOR_M/Z 611.3188
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0006-0000092000-3ce5785ece2952b096df
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  84.0807 C5H10N+ 1 84.0808 -0.33
+  210.1594 C9H18N6+ 2 210.1587 2.92
+  551.2861 C30H39N4O6+ 1 551.2864 -0.56
+  593.3081 C31H41N6O6+ 1 593.3082 -0.2
+  611.3187 C31H43N6O7+ 1 611.3188 -0.14
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  84.0807 233104.9 54
+  210.1594 283889.2 65
+  551.2861 758490.4 176
+  593.3081 4301185.5 999
+  611.3187 1380180.6 320
+//
diff --git a/Eawag/MSBNK-EAWAG-EC123004.txt b/Eawag/MSBNK-EAWAG-EC123004.txt
new file mode 100644
index 0000000000..b30f37c245
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC123004.txt
@@ -0,0 +1,60 @@
+ACCESSION: MSBNK-EAWAG-EC123004
+RECORD_TITLE: Spumigin L (and isomers); LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], F. Rios Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.7b00370
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 1230
+CH$NAME: Spumigin L (and isomers)
+CH$NAME: (2S)-N-[(3S)-1-carbamimidoyl-2-hydroxypiperidin-3-yl]-1-[(2R)-2-[[2-hydroxy-4-(4-hydroxyphenyl)butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H42N6O7
+CH$EXACT_MASS: 610.3114977
+CH$SMILES: OC1=CC=C(CCC(O)C(N[C@H](CC2=CC=C(O)C=C2)C(N3[C@H](C(N[C@@H](CCCN4C(N)=N)C4O)=O)CC(C)C3)=O)=O)C=C1
+CH$IUPAC: InChI=1S/C31H42N6O7/c1-18-15-25(27(41)34-23-3-2-14-36(29(23)43)31(32)33)37(17-18)30(44)24(16-20-6-11-22(39)12-7-20)35-28(42)26(40)13-8-19-4-9-21(38)10-5-19/h4-7,9-12,18,23-26,29,38-40,43H,2-3,8,13-17H2,1H3,(H3,32,33)(H,34,41)(H,35,42)/t18?,23-,24+,25-,26?,29?/m0/s1
+CH$LINK: PUBCHEM CID:146684840
+CH$LINK: INCHIKEY CUYCVKFWPTWZJN-HPGRWYDASA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 64-645
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.053 min
+MS$FOCUSED_ION: BASE_PEAK 132.9579
+MS$FOCUSED_ION: PRECURSOR_M/Z 611.3188
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0006-2020091000-c1781cc1b20c72e93170
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  84.0807 C5H10N+ 1 84.0808 -0.88
+  165.138 C10H17N2+ 1 165.1386 -3.52
+  210.1594 C9H18N6+ 2 210.1587 3
+  235.1548 C12H19N4O+ 2 235.1553 -2.39
+  252.1812 C11H26NO5+ 2 252.1805 2.71
+  342.1332 C19H20NO5+ 2 342.1336 -1.3
+  551.2861 C30H39N4O6+ 1 551.2864 -0.56
+  593.308 C31H41N6O6+ 1 593.3082 -0.41
+  611.3186 C31H43N6O7+ 1 611.3188 -0.34
+PK$NUM_PEAK: 9
+PK$PEAK: m/z int. rel.int.
+  84.0807 959993.1 353
+  165.138 230112.7 84
+  210.1594 806361.3 297
+  235.1548 110012.3 40
+  252.1812 69663.2 25
+  342.1332 143208.2 52
+  551.2861 618811.6 227
+  593.308 2712008.2 999
+  611.3186 526186.6 193
+//
diff --git a/Eawag/MSBNK-EAWAG-EC123005.txt b/Eawag/MSBNK-EAWAG-EC123005.txt
new file mode 100644
index 0000000000..50994ee669
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC123005.txt
@@ -0,0 +1,74 @@
+ACCESSION: MSBNK-EAWAG-EC123005
+RECORD_TITLE: Spumigin L (and isomers); LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], F. Rios Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.7b00370
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 1230
+CH$NAME: Spumigin L (and isomers)
+CH$NAME: (2S)-N-[(3S)-1-carbamimidoyl-2-hydroxypiperidin-3-yl]-1-[(2R)-2-[[2-hydroxy-4-(4-hydroxyphenyl)butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H42N6O7
+CH$EXACT_MASS: 610.3114977
+CH$SMILES: OC1=CC=C(CCC(O)C(N[C@H](CC2=CC=C(O)C=C2)C(N3[C@H](C(N[C@@H](CCCN4C(N)=N)C4O)=O)CC(C)C3)=O)=O)C=C1
+CH$IUPAC: InChI=1S/C31H42N6O7/c1-18-15-25(27(41)34-23-3-2-14-36(29(23)43)31(32)33)37(17-18)30(44)24(16-20-6-11-22(39)12-7-20)35-28(42)26(40)13-8-19-4-9-21(38)10-5-19/h4-7,9-12,18,23-26,29,38-40,43H,2-3,8,13-17H2,1H3,(H3,32,33)(H,34,41)(H,35,42)/t18?,23-,24+,25-,26?,29?/m0/s1
+CH$LINK: PUBCHEM CID:146684840
+CH$LINK: INCHIKEY CUYCVKFWPTWZJN-HPGRWYDASA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 64-645
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.053 min
+MS$FOCUSED_ION: BASE_PEAK 132.9579
+MS$FOCUSED_ION: PRECURSOR_M/Z 611.3188
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-001i-9712000000-6130249e16ee49b79163
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  84.0807 C5H10N+ 1 84.0808 -0.42
+  99.0915 C5H11N2+ 1 99.0917 -1.62
+  100.0757 C5H10NO+ 1 100.0757 -0.35
+  127.0863 C6H11N2O+ 1 127.0866 -2.05
+  136.0754 C8H10NO+ 1 136.0757 -2.09
+  141.113 C6H13N4+ 1 141.1135 -3.46
+  142.0972 C6H12N3O+ 1 142.0975 -1.68
+  154.0971 C7H12N3O+ 1 154.0975 -2.38
+  165.1382 C10H17N2+ 1 165.1386 -2.69
+  193.1328 C11H17N2O+ 2 193.1335 -3.7
+  235.1545 C11H23O5+ 2 235.154 2.33
+  252.1812 C11H26NO5+ 2 252.1805 2.77
+  253.166 C12H21N4O2+ 2 253.1659 0.3
+  314.1382 C18H20NO4+ 2 314.1387 -1.4
+  342.1335 C19H20NO5+ 3 342.1336 -0.41
+  593.3078 C31H41N6O6+ 1 593.3082 -0.72
+PK$NUM_PEAK: 16
+PK$PEAK: m/z int. rel.int.
+  84.0807 2065447 999
+  99.0915 86834.4 41
+  100.0757 85599.9 41
+  127.0863 36373 17
+  136.0754 592350.3 286
+  141.113 43233.3 20
+  142.0972 75885.8 36
+  154.0971 28350.5 13
+  165.1382 733256.9 354
+  193.1328 124577.6 60
+  235.1545 127029.6 61
+  252.1812 81393.8 39
+  253.166 80248.7 38
+  314.1382 484664.4 234
+  342.1335 66829.2 32
+  593.3078 225750.5 109
+//
diff --git a/Eawag/MSBNK-EAWAG-EC123006.txt b/Eawag/MSBNK-EAWAG-EC123006.txt
new file mode 100644
index 0000000000..77a76b1998
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC123006.txt
@@ -0,0 +1,70 @@
+ACCESSION: MSBNK-EAWAG-EC123006
+RECORD_TITLE: Spumigin L (and isomers); LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], F. Rios Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.7b00370
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 1230
+CH$NAME: Spumigin L (and isomers)
+CH$NAME: (2S)-N-[(3S)-1-carbamimidoyl-2-hydroxypiperidin-3-yl]-1-[(2R)-2-[[2-hydroxy-4-(4-hydroxyphenyl)butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H42N6O7
+CH$EXACT_MASS: 610.3114977
+CH$SMILES: OC1=CC=C(CCC(O)C(N[C@H](CC2=CC=C(O)C=C2)C(N3[C@H](C(N[C@@H](CCCN4C(N)=N)C4O)=O)CC(C)C3)=O)=O)C=C1
+CH$IUPAC: InChI=1S/C31H42N6O7/c1-18-15-25(27(41)34-23-3-2-14-36(29(23)43)31(32)33)37(17-18)30(44)24(16-20-6-11-22(39)12-7-20)35-28(42)26(40)13-8-19-4-9-21(38)10-5-19/h4-7,9-12,18,23-26,29,38-40,43H,2-3,8,13-17H2,1H3,(H3,32,33)(H,34,41)(H,35,42)/t18?,23-,24+,25-,26?,29?/m0/s1
+CH$LINK: PUBCHEM CID:146684840
+CH$LINK: INCHIKEY CUYCVKFWPTWZJN-HPGRWYDASA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 64-645
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.053 min
+MS$FOCUSED_ION: BASE_PEAK 132.9579
+MS$FOCUSED_ION: PRECURSOR_M/Z 611.3188
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-001r-8900000000-bdf9034365512a281bcd
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  82.0653 C5H8N+ 1 82.0651 1.88
+  84.0807 C5H10N+ 1 84.0808 -0.88
+  91.0542 C7H7+ 1 91.0542 -0.38
+  99.0916 C5H11N2+ 1 99.0917 -1.24
+  100.0755 C5H10NO+ 1 100.0757 -1.88
+  107.049 C7H7O+ 1 107.0491 -1.7
+  124.0866 C6H10N3+ 1 124.0869 -2.74
+  136.0753 C8H10NO+ 1 136.0757 -2.76
+  141.1135 C6H13N4+ 1 141.1135 0.11
+  154.0973 C7H12N3O+ 1 154.0975 -1.29
+  165.1381 C10H17N2+ 1 165.1386 -3.15
+  193.1327 C11H17N2O+ 2 193.1335 -4.49
+  210.1594 C9H18N6+ 2 210.1587 2.92
+  314.1386 C18H20NO4+ 3 314.1387 -0.13
+PK$NUM_PEAK: 14
+PK$PEAK: m/z int. rel.int.
+  82.0653 43210.5 18
+  84.0807 2300291.8 999
+  91.0542 32070.2 13
+  99.0916 160431.2 69
+  100.0755 109275.8 47
+  107.049 59555.8 25
+  124.0866 32287.5 14
+  136.0753 1600280.9 694
+  141.1135 44072.3 19
+  154.0973 34062.4 14
+  165.1381 720091.4 312
+  193.1327 141046.1 61
+  210.1594 175488.5 76
+  314.1386 163360.1 70
+//
diff --git a/Eawag/MSBNK-EAWAG-EC123007.txt b/Eawag/MSBNK-EAWAG-EC123007.txt
new file mode 100644
index 0000000000..b1dd190511
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC123007.txt
@@ -0,0 +1,64 @@
+ACCESSION: MSBNK-EAWAG-EC123007
+RECORD_TITLE: Spumigin L (and isomers); LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], F. Rios Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.7b00370
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 1230
+CH$NAME: Spumigin L (and isomers)
+CH$NAME: (2S)-N-[(3S)-1-carbamimidoyl-2-hydroxypiperidin-3-yl]-1-[(2R)-2-[[2-hydroxy-4-(4-hydroxyphenyl)butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H42N6O7
+CH$EXACT_MASS: 610.3114977
+CH$SMILES: OC1=CC=C(CCC(O)C(N[C@H](CC2=CC=C(O)C=C2)C(N3[C@H](C(N[C@@H](CCCN4C(N)=N)C4O)=O)CC(C)C3)=O)=O)C=C1
+CH$IUPAC: InChI=1S/C31H42N6O7/c1-18-15-25(27(41)34-23-3-2-14-36(29(23)43)31(32)33)37(17-18)30(44)24(16-20-6-11-22(39)12-7-20)35-28(42)26(40)13-8-19-4-9-21(38)10-5-19/h4-7,9-12,18,23-26,29,38-40,43H,2-3,8,13-17H2,1H3,(H3,32,33)(H,34,41)(H,35,42)/t18?,23-,24+,25-,26?,29?/m0/s1
+CH$LINK: PUBCHEM CID:146684840
+CH$LINK: INCHIKEY CUYCVKFWPTWZJN-HPGRWYDASA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 64-645
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.053 min
+MS$FOCUSED_ION: BASE_PEAK 132.9579
+MS$FOCUSED_ION: PRECURSOR_M/Z 611.3188
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-001r-8900000000-622123009f3a690f9487
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  67.0542 C5H7+ 1 67.0542 -1.11
+  82.0651 C5H8N+ 1 82.0651 -0.44
+  84.0807 C5H10N+ 1 84.0808 -1.06
+  91.0541 C7H7+ 1 91.0542 -1.72
+  99.0916 C5H11N2+ 1 99.0917 -1.16
+  100.0755 C5H10NO+ 1 100.0757 -1.42
+  107.0489 C7H7O+ 1 107.0491 -2.2
+  119.0489 C8H7O+ 1 119.0491 -2.23
+  136.0753 C8H10NO+ 1 136.0757 -2.98
+  165.138 C10H17N2+ 1 165.1386 -3.62
+  193.1328 C11H17N2O+ 2 193.1335 -3.86
+PK$NUM_PEAK: 11
+PK$PEAK: m/z int. rel.int.
+  67.0542 29769.5 13
+  82.0651 77039.2 33
+  84.0807 2281875.5 999
+  91.0541 128899.1 56
+  99.0916 158040.9 69
+  100.0755 108367.3 47
+  107.0489 155797.8 68
+  119.0489 162017.2 70
+  136.0753 1823506.4 798
+  165.138 425872.9 186
+  193.1328 82064.6 35
+//
diff --git a/Eawag/MSBNK-EAWAG-EC123008.txt b/Eawag/MSBNK-EAWAG-EC123008.txt
new file mode 100644
index 0000000000..e2f69bdca0
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC123008.txt
@@ -0,0 +1,64 @@
+ACCESSION: MSBNK-EAWAG-EC123008
+RECORD_TITLE: Spumigin L (and isomers); LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], F. Rios Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.7b00370
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 1230
+CH$NAME: Spumigin L (and isomers)
+CH$NAME: (2S)-N-[(3S)-1-carbamimidoyl-2-hydroxypiperidin-3-yl]-1-[(2R)-2-[[2-hydroxy-4-(4-hydroxyphenyl)butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H42N6O7
+CH$EXACT_MASS: 610.3114977
+CH$SMILES: OC1=CC=C(CCC(O)C(N[C@H](CC2=CC=C(O)C=C2)C(N3[C@H](C(N[C@@H](CCCN4C(N)=N)C4O)=O)CC(C)C3)=O)=O)C=C1
+CH$IUPAC: InChI=1S/C31H42N6O7/c1-18-15-25(27(41)34-23-3-2-14-36(29(23)43)31(32)33)37(17-18)30(44)24(16-20-6-11-22(39)12-7-20)35-28(42)26(40)13-8-19-4-9-21(38)10-5-19/h4-7,9-12,18,23-26,29,38-40,43H,2-3,8,13-17H2,1H3,(H3,32,33)(H,34,41)(H,35,42)/t18?,23-,24+,25-,26?,29?/m0/s1
+CH$LINK: PUBCHEM CID:146684840
+CH$LINK: INCHIKEY CUYCVKFWPTWZJN-HPGRWYDASA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 64-645
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.053 min
+MS$FOCUSED_ION: BASE_PEAK 132.9579
+MS$FOCUSED_ION: PRECURSOR_M/Z 611.3188
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-001r-9700000000-4a67297cae2374fba3ef
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  67.0542 C5H7+ 1 67.0542 -0.89
+  82.0651 C5H8N+ 1 82.0651 -0.82
+  84.0807 C5H10N+ 1 84.0808 -0.88
+  91.0542 C7H7+ 1 91.0542 -0.8
+  99.0915 C5H11N2+ 1 99.0917 -1.55
+  100.0755 C5H10NO+ 1 100.0757 -1.5
+  107.0491 C7H7O+ 1 107.0491 -0.78
+  119.049 C8H7O+ 1 119.0491 -1.4
+  136.0753 C8H10NO+ 1 136.0757 -2.65
+  165.1382 C10H17N2+ 1 165.1386 -2.42
+  193.1328 C11H17N2O+ 2 193.1335 -3.94
+PK$NUM_PEAK: 11
+PK$PEAK: m/z int. rel.int.
+  67.0542 40642.1 19
+  82.0651 121076.5 58
+  84.0807 2072465 999
+  91.0542 336093.2 162
+  99.0915 122718.3 59
+  100.0755 104324.5 50
+  107.0491 192512.9 92
+  119.049 336910.4 162
+  136.0753 1463318.1 705
+  165.1382 237069.7 114
+  193.1328 38415.4 18
+//
diff --git a/Eawag/MSBNK-EAWAG-EC123009.txt b/Eawag/MSBNK-EAWAG-EC123009.txt
new file mode 100644
index 0000000000..d05da6f27e
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC123009.txt
@@ -0,0 +1,64 @@
+ACCESSION: MSBNK-EAWAG-EC123009
+RECORD_TITLE: Spumigin L (and isomers); LC-ESI-QFT; MS2; CE: 80%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], F. Rios Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.7b00370
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 1230
+CH$NAME: Spumigin L (and isomers)
+CH$NAME: (2S)-N-[(3S)-1-carbamimidoyl-2-hydroxypiperidin-3-yl]-1-[(2R)-2-[[2-hydroxy-4-(4-hydroxyphenyl)butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H42N6O7
+CH$EXACT_MASS: 610.3114977
+CH$SMILES: OC1=CC=C(CCC(O)C(N[C@H](CC2=CC=C(O)C=C2)C(N3[C@H](C(N[C@@H](CCCN4C(N)=N)C4O)=O)CC(C)C3)=O)=O)C=C1
+CH$IUPAC: InChI=1S/C31H42N6O7/c1-18-15-25(27(41)34-23-3-2-14-36(29(23)43)31(32)33)37(17-18)30(44)24(16-20-6-11-22(39)12-7-20)35-28(42)26(40)13-8-19-4-9-21(38)10-5-19/h4-7,9-12,18,23-26,29,38-40,43H,2-3,8,13-17H2,1H3,(H3,32,33)(H,34,41)(H,35,42)/t18?,23-,24+,25-,26?,29?/m0/s1
+CH$LINK: PUBCHEM CID:146684840
+CH$LINK: INCHIKEY CUYCVKFWPTWZJN-HPGRWYDASA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 64-645
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.053 min
+MS$FOCUSED_ION: BASE_PEAK 132.9579
+MS$FOCUSED_ION: PRECURSOR_M/Z 611.3188
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-001r-9500000000-396297a1fc47e8a93ffb
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  67.0542 C5H7+ 1 67.0542 0.25
+  82.0651 C5H8N+ 1 82.0651 -0.44
+  84.0807 C5H10N+ 1 84.0808 -1.06
+  91.0541 C7H7+ 1 91.0542 -0.97
+  99.0915 C5H11N2+ 1 99.0917 -1.78
+  100.0756 C5H10NO+ 1 100.0757 -0.73
+  107.049 C7H7O+ 1 107.0491 -1.77
+  118.0652 C8H8N+ 1 118.0651 0.31
+  119.049 C8H7O+ 1 119.0491 -1.59
+  136.0753 C8H10NO+ 1 136.0757 -3.1
+  165.1382 C10H17N2+ 1 165.1386 -2.6
+PK$NUM_PEAK: 11
+PK$PEAK: m/z int. rel.int.
+  67.0542 55849.9 30
+  82.0651 168330.1 92
+  84.0807 1816721.5 999
+  91.0541 775604.6 426
+  99.0915 90682.8 49
+  100.0756 93878.3 51
+  107.049 257184.3 141
+  118.0652 40051.8 22
+  119.049 432861.9 238
+  136.0753 959557.5 527
+  165.1382 114488 62
+//
diff --git a/Eawag/MSBNK-EAWAG-EC123051.txt b/Eawag/MSBNK-EAWAG-EC123051.txt
new file mode 100644
index 0000000000..0b88436e83
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC123051.txt
@@ -0,0 +1,44 @@
+ACCESSION: MSBNK-EAWAG-EC123051
+RECORD_TITLE: Spumigin L (and isomers); LC-ESI-QFT; MS2; CE: 15%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], F. Rios Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.7b00370
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 1230
+CH$NAME: Spumigin L (and isomers)
+CH$NAME: (2S)-N-[(3S)-1-carbamimidoyl-2-hydroxypiperidin-3-yl]-1-[(2R)-2-[[2-hydroxy-4-(4-hydroxyphenyl)butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H42N6O7
+CH$EXACT_MASS: 610.3114977
+CH$SMILES: OC1=CC=C(CCC(O)C(N[C@H](CC2=CC=C(O)C=C2)C(N3[C@H](C(N[C@@H](CCCN4C(N)=N)C4O)=O)CC(C)C3)=O)=O)C=C1
+CH$IUPAC: InChI=1S/C31H42N6O7/c1-18-15-25(27(41)34-23-3-2-14-36(29(23)43)31(32)33)37(17-18)30(44)24(16-20-6-11-22(39)12-7-20)35-28(42)26(40)13-8-19-4-9-21(38)10-5-19/h4-7,9-12,18,23-26,29,38-40,43H,2-3,8,13-17H2,1H3,(H3,32,33)(H,34,41)(H,35,42)/t18?,23-,24+,25-,26?,29?/m0/s1
+CH$LINK: PUBCHEM CID:146684840
+CH$LINK: INCHIKEY CUYCVKFWPTWZJN-HPGRWYDASA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 64-643
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.629 min
+MS$FOCUSED_ION: BASE_PEAK 146.9381
+MS$FOCUSED_ION: PRECURSOR_M/Z 609.3042
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0a4i-0000009000-c555d2a581fe87051c09
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  609.304 C31H41N6O7- 1 609.3042 -0.36
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  609.304 1839002.9 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC123052.txt b/Eawag/MSBNK-EAWAG-EC123052.txt
new file mode 100644
index 0000000000..3cf9109bd2
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC123052.txt
@@ -0,0 +1,46 @@
+ACCESSION: MSBNK-EAWAG-EC123052
+RECORD_TITLE: Spumigin L (and isomers); LC-ESI-QFT; MS2; CE: 20%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], F. Rios Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.7b00370
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 1230
+CH$NAME: Spumigin L (and isomers)
+CH$NAME: (2S)-N-[(3S)-1-carbamimidoyl-2-hydroxypiperidin-3-yl]-1-[(2R)-2-[[2-hydroxy-4-(4-hydroxyphenyl)butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H42N6O7
+CH$EXACT_MASS: 610.3114977
+CH$SMILES: OC1=CC=C(CCC(O)C(N[C@H](CC2=CC=C(O)C=C2)C(N3[C@H](C(N[C@@H](CCCN4C(N)=N)C4O)=O)CC(C)C3)=O)=O)C=C1
+CH$IUPAC: InChI=1S/C31H42N6O7/c1-18-15-25(27(41)34-23-3-2-14-36(29(23)43)31(32)33)37(17-18)30(44)24(16-20-6-11-22(39)12-7-20)35-28(42)26(40)13-8-19-4-9-21(38)10-5-19/h4-7,9-12,18,23-26,29,38-40,43H,2-3,8,13-17H2,1H3,(H3,32,33)(H,34,41)(H,35,42)/t18?,23-,24+,25-,26?,29?/m0/s1
+CH$LINK: PUBCHEM CID:146684840
+CH$LINK: INCHIKEY CUYCVKFWPTWZJN-HPGRWYDASA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 64-643
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.629 min
+MS$FOCUSED_ION: BASE_PEAK 146.9381
+MS$FOCUSED_ION: PRECURSOR_M/Z 609.3042
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0a4i-0000019000-50667394782d8eb62809
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  503.2616 C24H35N6O6- 2 503.2624 -1.47
+  609.3039 C31H41N6O7- 1 609.3042 -0.46
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  503.2616 200895.3 180
+  609.3039 1108888.1 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC123053.txt b/Eawag/MSBNK-EAWAG-EC123053.txt
new file mode 100644
index 0000000000..a975d1c0fc
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC123053.txt
@@ -0,0 +1,46 @@
+ACCESSION: MSBNK-EAWAG-EC123053
+RECORD_TITLE: Spumigin L (and isomers); LC-ESI-QFT; MS2; CE: 25%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], F. Rios Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.7b00370
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 1230
+CH$NAME: Spumigin L (and isomers)
+CH$NAME: (2S)-N-[(3S)-1-carbamimidoyl-2-hydroxypiperidin-3-yl]-1-[(2R)-2-[[2-hydroxy-4-(4-hydroxyphenyl)butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H42N6O7
+CH$EXACT_MASS: 610.3114977
+CH$SMILES: OC1=CC=C(CCC(O)C(N[C@H](CC2=CC=C(O)C=C2)C(N3[C@H](C(N[C@@H](CCCN4C(N)=N)C4O)=O)CC(C)C3)=O)=O)C=C1
+CH$IUPAC: InChI=1S/C31H42N6O7/c1-18-15-25(27(41)34-23-3-2-14-36(29(23)43)31(32)33)37(17-18)30(44)24(16-20-6-11-22(39)12-7-20)35-28(42)26(40)13-8-19-4-9-21(38)10-5-19/h4-7,9-12,18,23-26,29,38-40,43H,2-3,8,13-17H2,1H3,(H3,32,33)(H,34,41)(H,35,42)/t18?,23-,24+,25-,26?,29?/m0/s1
+CH$LINK: PUBCHEM CID:146684840
+CH$LINK: INCHIKEY CUYCVKFWPTWZJN-HPGRWYDASA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 64-643
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.629 min
+MS$FOCUSED_ION: BASE_PEAK 146.9381
+MS$FOCUSED_ION: PRECURSOR_M/Z 609.3042
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0pb9-0000089000-e77428fc92d293dfa64d
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  503.2616 C24H35N6O6- 2 503.2624 -1.41
+  609.3031 C31H41N6O7- 1 609.3042 -1.76
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  503.2616 404963.8 901
+  609.3031 448906.2 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC123101.txt b/Eawag/MSBNK-EAWAG-EC123101.txt
new file mode 100644
index 0000000000..98467a6c46
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC123101.txt
@@ -0,0 +1,49 @@
+ACCESSION: MSBNK-EAWAG-EC123101
+RECORD_TITLE: Spumigin G; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1111/j.1365-2958.2009.06816.x
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1231
+CH$NAME: Spumigin G
+CH$NAME: (2S,4S)-N-(5-guanidino-1-oxopentan-2-yl)-1-((R)-2-((R)-2-hydroxy-3-(4-hydroxyphenyl)propanamido)-4-phenylbutanoyl)-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H42N6O6
+CH$EXACT_MASS: 594.3165831
+CH$SMILES: C[C@H]1C[C@H](N(C1)C(=O)[C@@H](CCC2=CC=CC=C2)NC(=O)[C@@H](CC3=CC=C(C=C3)O)O)C(=O)NC(CCCN=C(N)N)C=O
+CH$IUPAC: InChI=1S/C31H42N6O6/c1-20-16-26(28(41)35-23(19-38)8-5-15-34-31(32)33)37(18-20)30(43)25(14-11-21-6-3-2-4-7-21)36-29(42)27(40)17-22-9-12-24(39)13-10-22/h2-4,6-7,9-10,12-13,19-20,23,25-27,39-40H,5,8,11,14-18H2,1H3,(H,35,41)(H,36,42)(H4,32,33,34)/t20-,23?,25+,26-,27+/m0/s1
+CH$LINK: PUBCHEM CID:139588808
+CH$LINK: INCHIKEY YGAGCUYKOBGAQX-SYCDWYGJSA-N
+CH$LINK: CHEMSPIDER 78442853
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-628
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.248 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 595.3239
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-002b-0000090000-a89041efec5dccec466b
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  535.2915 C30H39N4O5+ 1 535.2915 -0.07
+  577.3131 C31H41N6O5+ 1 577.3133 -0.36
+  595.3239 C31H43N6O6+ 1 595.3239 0.07
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  535.2915 47003.2 128
+  577.3131 356451.5 972
+  595.3239 366149.1 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC123102.txt b/Eawag/MSBNK-EAWAG-EC123102.txt
new file mode 100644
index 0000000000..ae9204d9bf
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC123102.txt
@@ -0,0 +1,47 @@
+ACCESSION: MSBNK-EAWAG-EC123102
+RECORD_TITLE: Spumigin G; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1111/j.1365-2958.2009.06816.x
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1231
+CH$NAME: Spumigin G
+CH$NAME: (2S,4S)-N-(5-guanidino-1-oxopentan-2-yl)-1-((R)-2-((R)-2-hydroxy-3-(4-hydroxyphenyl)propanamido)-4-phenylbutanoyl)-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H42N6O6
+CH$EXACT_MASS: 594.3165831
+CH$SMILES: C[C@H]1C[C@H](N(C1)C(=O)[C@@H](CCC2=CC=CC=C2)NC(=O)[C@@H](CC3=CC=C(C=C3)O)O)C(=O)NC(CCCN=C(N)N)C=O
+CH$IUPAC: InChI=1S/C31H42N6O6/c1-20-16-26(28(41)35-23(19-38)8-5-15-34-31(32)33)37(18-20)30(43)25(14-11-21-6-3-2-4-7-21)36-29(42)27(40)17-22-9-12-24(39)13-10-22/h2-4,6-7,9-10,12-13,19-20,23,25-27,39-40H,5,8,11,14-18H2,1H3,(H,35,41)(H,36,42)(H4,32,33,34)/t20-,23?,25+,26-,27+/m0/s1
+CH$LINK: PUBCHEM CID:139588808
+CH$LINK: INCHIKEY YGAGCUYKOBGAQX-SYCDWYGJSA-N
+CH$LINK: CHEMSPIDER 78442853
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-628
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.248 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 595.3239
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-004j-0000090000-d438d32dfe045409a4e1
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  577.3131 C31H41N6O5+ 1 577.3133 -0.36
+  595.3238 C31H43N6O6+ 1 595.3239 -0.04
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  577.3131 391051.2 999
+  595.3238 215178.3 549
+//
diff --git a/Eawag/MSBNK-EAWAG-EC123103.txt b/Eawag/MSBNK-EAWAG-EC123103.txt
new file mode 100644
index 0000000000..ed19d072b5
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC123103.txt
@@ -0,0 +1,49 @@
+ACCESSION: MSBNK-EAWAG-EC123103
+RECORD_TITLE: Spumigin G; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1111/j.1365-2958.2009.06816.x
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1231
+CH$NAME: Spumigin G
+CH$NAME: (2S,4S)-N-(5-guanidino-1-oxopentan-2-yl)-1-((R)-2-((R)-2-hydroxy-3-(4-hydroxyphenyl)propanamido)-4-phenylbutanoyl)-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H42N6O6
+CH$EXACT_MASS: 594.3165831
+CH$SMILES: C[C@H]1C[C@H](N(C1)C(=O)[C@@H](CCC2=CC=CC=C2)NC(=O)[C@@H](CC3=CC=C(C=C3)O)O)C(=O)NC(CCCN=C(N)N)C=O
+CH$IUPAC: InChI=1S/C31H42N6O6/c1-20-16-26(28(41)35-23(19-38)8-5-15-34-31(32)33)37(18-20)30(43)25(14-11-21-6-3-2-4-7-21)36-29(42)27(40)17-22-9-12-24(39)13-10-22/h2-4,6-7,9-10,12-13,19-20,23,25-27,39-40H,5,8,11,14-18H2,1H3,(H,35,41)(H,36,42)(H4,32,33,34)/t20-,23?,25+,26-,27+/m0/s1
+CH$LINK: PUBCHEM CID:139588808
+CH$LINK: INCHIKEY YGAGCUYKOBGAQX-SYCDWYGJSA-N
+CH$LINK: CHEMSPIDER 78442853
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-628
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.248 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 595.3239
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-004i-0000090000-35d33affc224b93f5dc4
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  535.2914 C30H39N4O5+ 1 535.2915 -0.19
+  577.3128 C31H41N6O5+ 1 577.3133 -0.89
+  595.3238 C31H43N6O6+ 1 595.3239 -0.04
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  535.2914 86809.2 236
+  577.3128 367239.4 999
+  595.3238 115227.1 313
+//
diff --git a/Eawag/MSBNK-EAWAG-EC123104.txt b/Eawag/MSBNK-EAWAG-EC123104.txt
new file mode 100644
index 0000000000..20537b22e2
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC123104.txt
@@ -0,0 +1,51 @@
+ACCESSION: MSBNK-EAWAG-EC123104
+RECORD_TITLE: Spumigin G; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1111/j.1365-2958.2009.06816.x
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1231
+CH$NAME: Spumigin G
+CH$NAME: (2S,4S)-N-(5-guanidino-1-oxopentan-2-yl)-1-((R)-2-((R)-2-hydroxy-3-(4-hydroxyphenyl)propanamido)-4-phenylbutanoyl)-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H42N6O6
+CH$EXACT_MASS: 594.3165831
+CH$SMILES: C[C@H]1C[C@H](N(C1)C(=O)[C@@H](CCC2=CC=CC=C2)NC(=O)[C@@H](CC3=CC=C(C=C3)O)O)C(=O)NC(CCCN=C(N)N)C=O
+CH$IUPAC: InChI=1S/C31H42N6O6/c1-20-16-26(28(41)35-23(19-38)8-5-15-34-31(32)33)37(18-20)30(43)25(14-11-21-6-3-2-4-7-21)36-29(42)27(40)17-22-9-12-24(39)13-10-22/h2-4,6-7,9-10,12-13,19-20,23,25-27,39-40H,5,8,11,14-18H2,1H3,(H,35,41)(H,36,42)(H4,32,33,34)/t20-,23?,25+,26-,27+/m0/s1
+CH$LINK: PUBCHEM CID:139588808
+CH$LINK: INCHIKEY YGAGCUYKOBGAQX-SYCDWYGJSA-N
+CH$LINK: CHEMSPIDER 78442853
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-628
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.248 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 595.3239
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-01u0-4160090000-dc77ec3b18ae8b764d8b
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  84.0808 C5H10N+ 1 84.0808 0.24
+  165.1389 C10H17N2+ 1 165.1386 1.53
+  210.1598 C11H20N3O+ 1 210.1601 -1.17
+  577.3133 C31H41N6O5+ 1 577.3133 -0.04
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  84.0808 111486.5 538
+  165.1389 30065.7 145
+  210.1598 145262.4 701
+  577.3133 206764.6 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC123105.txt b/Eawag/MSBNK-EAWAG-EC123105.txt
new file mode 100644
index 0000000000..76924dea33
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC123105.txt
@@ -0,0 +1,51 @@
+ACCESSION: MSBNK-EAWAG-EC123105
+RECORD_TITLE: Spumigin G; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1111/j.1365-2958.2009.06816.x
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1231
+CH$NAME: Spumigin G
+CH$NAME: (2S,4S)-N-(5-guanidino-1-oxopentan-2-yl)-1-((R)-2-((R)-2-hydroxy-3-(4-hydroxyphenyl)propanamido)-4-phenylbutanoyl)-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H42N6O6
+CH$EXACT_MASS: 594.3165831
+CH$SMILES: C[C@H]1C[C@H](N(C1)C(=O)[C@@H](CCC2=CC=CC=C2)NC(=O)[C@@H](CC3=CC=C(C=C3)O)O)C(=O)NC(CCCN=C(N)N)C=O
+CH$IUPAC: InChI=1S/C31H42N6O6/c1-20-16-26(28(41)35-23(19-38)8-5-15-34-31(32)33)37(18-20)30(43)25(14-11-21-6-3-2-4-7-21)36-29(42)27(40)17-22-9-12-24(39)13-10-22/h2-4,6-7,9-10,12-13,19-20,23,25-27,39-40H,5,8,11,14-18H2,1H3,(H,35,41)(H,36,42)(H4,32,33,34)/t20-,23?,25+,26-,27+/m0/s1
+CH$LINK: PUBCHEM CID:139588808
+CH$LINK: INCHIKEY YGAGCUYKOBGAQX-SYCDWYGJSA-N
+CH$LINK: CHEMSPIDER 78442853
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-628
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.248 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 595.3239
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-001i-9540000000-be579c694600f48f4133
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  84.0808 C5H10N+ 1 84.0808 -0.13
+  165.1383 C10H17N2+ 1 165.1386 -1.71
+  182.0812 C9H12NO3+ 1 182.0812 0.15
+  210.1601 C11H20N3O+ 1 210.1601 -0.01
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  84.0808 306945 999
+  165.1383 121387.6 395
+  182.0812 74555.9 242
+  210.1601 141493.1 460
+//
diff --git a/Eawag/MSBNK-EAWAG-EC123106.txt b/Eawag/MSBNK-EAWAG-EC123106.txt
new file mode 100644
index 0000000000..f685685edd
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC123106.txt
@@ -0,0 +1,59 @@
+ACCESSION: MSBNK-EAWAG-EC123106
+RECORD_TITLE: Spumigin G; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1111/j.1365-2958.2009.06816.x
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1231
+CH$NAME: Spumigin G
+CH$NAME: (2S,4S)-N-(5-guanidino-1-oxopentan-2-yl)-1-((R)-2-((R)-2-hydroxy-3-(4-hydroxyphenyl)propanamido)-4-phenylbutanoyl)-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H42N6O6
+CH$EXACT_MASS: 594.3165831
+CH$SMILES: C[C@H]1C[C@H](N(C1)C(=O)[C@@H](CCC2=CC=CC=C2)NC(=O)[C@@H](CC3=CC=C(C=C3)O)O)C(=O)NC(CCCN=C(N)N)C=O
+CH$IUPAC: InChI=1S/C31H42N6O6/c1-20-16-26(28(41)35-23(19-38)8-5-15-34-31(32)33)37(18-20)30(43)25(14-11-21-6-3-2-4-7-21)36-29(42)27(40)17-22-9-12-24(39)13-10-22/h2-4,6-7,9-10,12-13,19-20,23,25-27,39-40H,5,8,11,14-18H2,1H3,(H,35,41)(H,36,42)(H4,32,33,34)/t20-,23?,25+,26-,27+/m0/s1
+CH$LINK: PUBCHEM CID:139588808
+CH$LINK: INCHIKEY YGAGCUYKOBGAQX-SYCDWYGJSA-N
+CH$LINK: CHEMSPIDER 78442853
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-628
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.248 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 595.3239
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-001i-8900000000-76c2a721f06b390a2fa2
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  84.0807 C5H10N+ 1 84.0808 -0.4
+  99.0916 C5H11N2+ 1 99.0917 -0.81
+  117.0697 C9H9+ 1 117.0699 -1.36
+  134.0961 C9H12N+ 1 134.0964 -2.08
+  164.0709 C9H10NO2+ 1 164.0706 1.79
+  165.1386 C10H17N2+ 1 165.1386 -0.14
+  182.0807 C9H12NO3+ 2 182.0812 -2.45
+  193.1333 C11H17N2O+ 1 193.1335 -1.42
+PK$NUM_PEAK: 8
+PK$PEAK: m/z int. rel.int.
+  84.0807 322760.1 999
+  99.0916 22314.7 69
+  117.0697 60435.3 187
+  134.0961 92861.1 287
+  164.0709 26524.1 82
+  165.1386 125657.1 388
+  182.0807 53005.5 164
+  193.1333 23436.1 72
+//
diff --git a/Eawag/MSBNK-EAWAG-EC123107.txt b/Eawag/MSBNK-EAWAG-EC123107.txt
new file mode 100644
index 0000000000..51ff4da42d
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC123107.txt
@@ -0,0 +1,57 @@
+ACCESSION: MSBNK-EAWAG-EC123107
+RECORD_TITLE: Spumigin G; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1111/j.1365-2958.2009.06816.x
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1231
+CH$NAME: Spumigin G
+CH$NAME: (2S,4S)-N-(5-guanidino-1-oxopentan-2-yl)-1-((R)-2-((R)-2-hydroxy-3-(4-hydroxyphenyl)propanamido)-4-phenylbutanoyl)-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H42N6O6
+CH$EXACT_MASS: 594.3165831
+CH$SMILES: C[C@H]1C[C@H](N(C1)C(=O)[C@@H](CCC2=CC=CC=C2)NC(=O)[C@@H](CC3=CC=C(C=C3)O)O)C(=O)NC(CCCN=C(N)N)C=O
+CH$IUPAC: InChI=1S/C31H42N6O6/c1-20-16-26(28(41)35-23(19-38)8-5-15-34-31(32)33)37(18-20)30(43)25(14-11-21-6-3-2-4-7-21)36-29(42)27(40)17-22-9-12-24(39)13-10-22/h2-4,6-7,9-10,12-13,19-20,23,25-27,39-40H,5,8,11,14-18H2,1H3,(H,35,41)(H,36,42)(H4,32,33,34)/t20-,23?,25+,26-,27+/m0/s1
+CH$LINK: PUBCHEM CID:139588808
+CH$LINK: INCHIKEY YGAGCUYKOBGAQX-SYCDWYGJSA-N
+CH$LINK: CHEMSPIDER 78442853
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-628
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.248 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 595.3239
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-001i-9600000000-436f4384bc62c7d84ab6
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  84.0807 C5H10N+ 1 84.0808 -0.49
+  91.0542 C7H7+ 1 91.0542 0.02
+  99.0915 C5H11N2+ 1 99.0917 -1.27
+  100.0758 C5H10NO+ 1 100.0757 1.54
+  117.0699 C9H9+ 1 117.0699 -0.12
+  134.0964 C9H12N+ 1 134.0964 -0.49
+  165.1384 C10H17N2+ 1 165.1386 -1.62
+PK$NUM_PEAK: 7
+PK$PEAK: m/z int. rel.int.
+  84.0807 331043.6 999
+  91.0542 54887.1 165
+  99.0915 22945.3 69
+  100.0758 20559.1 62
+  117.0699 88523.1 267
+  134.0964 98416.6 296
+  165.1384 66871.5 201
+//
diff --git a/Eawag/MSBNK-EAWAG-EC123108.txt b/Eawag/MSBNK-EAWAG-EC123108.txt
new file mode 100644
index 0000000000..61fc9433ce
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC123108.txt
@@ -0,0 +1,53 @@
+ACCESSION: MSBNK-EAWAG-EC123108
+RECORD_TITLE: Spumigin G; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1111/j.1365-2958.2009.06816.x
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1231
+CH$NAME: Spumigin G
+CH$NAME: (2S,4S)-N-(5-guanidino-1-oxopentan-2-yl)-1-((R)-2-((R)-2-hydroxy-3-(4-hydroxyphenyl)propanamido)-4-phenylbutanoyl)-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H42N6O6
+CH$EXACT_MASS: 594.3165831
+CH$SMILES: C[C@H]1C[C@H](N(C1)C(=O)[C@@H](CCC2=CC=CC=C2)NC(=O)[C@@H](CC3=CC=C(C=C3)O)O)C(=O)NC(CCCN=C(N)N)C=O
+CH$IUPAC: InChI=1S/C31H42N6O6/c1-20-16-26(28(41)35-23(19-38)8-5-15-34-31(32)33)37(18-20)30(43)25(14-11-21-6-3-2-4-7-21)36-29(42)27(40)17-22-9-12-24(39)13-10-22/h2-4,6-7,9-10,12-13,19-20,23,25-27,39-40H,5,8,11,14-18H2,1H3,(H,35,41)(H,36,42)(H4,32,33,34)/t20-,23?,25+,26-,27+/m0/s1
+CH$LINK: PUBCHEM CID:139588808
+CH$LINK: INCHIKEY YGAGCUYKOBGAQX-SYCDWYGJSA-N
+CH$LINK: CHEMSPIDER 78442853
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-628
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.248 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 595.3239
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-001i-9300000000-b9b81009263c21070686
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  82.065 C5H8N+ 1 82.0651 -1.88
+  84.0807 C5H10N+ 1 84.0808 -0.49
+  91.0542 C7H7+ 1 91.0542 0.11
+  117.0698 C9H9+ 1 117.0699 -0.77
+  134.0963 C9H12N+ 1 134.0964 -1.28
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  82.065 21147.4 61
+  84.0807 344692.5 999
+  91.0542 144705.1 419
+  117.0698 133636.4 387
+  134.0963 70935.5 205
+//
diff --git a/Eawag/MSBNK-EAWAG-EC123109.txt b/Eawag/MSBNK-EAWAG-EC123109.txt
new file mode 100644
index 0000000000..df020b0d46
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC123109.txt
@@ -0,0 +1,55 @@
+ACCESSION: MSBNK-EAWAG-EC123109
+RECORD_TITLE: Spumigin G; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1111/j.1365-2958.2009.06816.x
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1231
+CH$NAME: Spumigin G
+CH$NAME: (2S,4S)-N-(5-guanidino-1-oxopentan-2-yl)-1-((R)-2-((R)-2-hydroxy-3-(4-hydroxyphenyl)propanamido)-4-phenylbutanoyl)-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H42N6O6
+CH$EXACT_MASS: 594.3165831
+CH$SMILES: C[C@H]1C[C@H](N(C1)C(=O)[C@@H](CCC2=CC=CC=C2)NC(=O)[C@@H](CC3=CC=C(C=C3)O)O)C(=O)NC(CCCN=C(N)N)C=O
+CH$IUPAC: InChI=1S/C31H42N6O6/c1-20-16-26(28(41)35-23(19-38)8-5-15-34-31(32)33)37(18-20)30(43)25(14-11-21-6-3-2-4-7-21)36-29(42)27(40)17-22-9-12-24(39)13-10-22/h2-4,6-7,9-10,12-13,19-20,23,25-27,39-40H,5,8,11,14-18H2,1H3,(H,35,41)(H,36,42)(H4,32,33,34)/t20-,23?,25+,26-,27+/m0/s1
+CH$LINK: PUBCHEM CID:139588808
+CH$LINK: INCHIKEY YGAGCUYKOBGAQX-SYCDWYGJSA-N
+CH$LINK: CHEMSPIDER 78442853
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-628
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.248 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 595.3239
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-001l-9200000000-8dcfc5266532f982a942
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  82.0653 C5H8N+ 1 82.0651 1.93
+  84.0807 C5H10N+ 1 84.0808 -0.67
+  91.0542 C7H7+ 1 91.0542 -0.48
+  117.0698 C9H9+ 1 117.0699 -0.51
+  134.0961 C9H12N+ 1 134.0964 -2.31
+  165.1384 C10H17N2+ 1 165.1386 -1.43
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  82.0653 24739.5 76
+  84.0807 324451.5 999
+  91.0542 256773.1 790
+  117.0698 119695 368
+  134.0961 32460.2 99
+  165.1384 15603.3 48
+//
diff --git a/Eawag/MSBNK-EAWAG-EC124001.txt b/Eawag/MSBNK-EAWAG-EC124001.txt
new file mode 100644
index 0000000000..b651c057c7
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC124001.txt
@@ -0,0 +1,44 @@
+ACCESSION: MSBNK-EAWAG-EC124001
+RECORD_TITLE: Aeruginosin NOL3; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1371/journal.pone.0073618
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1240
+CH$NAME: Aeruginosin NOL3
+CH$NAME: (2S,3aS,7aS)-N-(5-guanidino-1-hydroxypentan-2-yl)-1-((S)-2-hexanamido-3-(4-hydroxyphenyl)propanoyl)-6-hydroxyoctahydro-1H-indole-2-carboxamide                                                                                    (2S)-N-(1-carbamimidoyl-2-hydroxypiperidin-3-yl)-1-((2R)-2-(2-hydroxy-4-(4-hydroxyphenyl)butanamido)-3-(4-hydroxyphenyl)propanoyl)-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C30H48N6O6
+CH$EXACT_MASS: 588.3635333
+CH$SMILES: CCCCCC(N[C@H](C(N([C@H](C(NC(CO)CCCNC(N)=N)=O)C1)[C@@H]2[C@H]1CCC(O)C2)=O)CC3=CC=C(O)C=C3)=O
+CH$IUPAC: InChI=1S/C30H48N6O6/c1-2-3-4-7-27(40)35-24(15-19-8-11-22(38)12-9-19)29(42)36-25-17-23(39)13-10-20(25)16-26(36)28(41)34-21(18-37)6-5-14-33-30(31)32/h8-9,11-12,20-21,23-26,37-39H,2-7,10,13-18H2,1H3,(H,34,41)(H,35,40)(H4,31,32,33)/t20-,21?,23?,24-,25-,26-/m0/s1
+CH$LINK: PUBCHEM CID:146683747
+CH$LINK: INCHIKEY KVEGLZCDCVSBQX-ZHYXHTNASA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-622
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.625 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 589.3708
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-000i-0000090000-7e7fa19b2b3d279aa82b
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  589.3706 C30H49N6O6+ 1 589.3708 -0.38
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  589.3706 5022077 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC124002.txt b/Eawag/MSBNK-EAWAG-EC124002.txt
new file mode 100644
index 0000000000..43286cb50d
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC124002.txt
@@ -0,0 +1,46 @@
+ACCESSION: MSBNK-EAWAG-EC124002
+RECORD_TITLE: Aeruginosin NOL3; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1371/journal.pone.0073618
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1240
+CH$NAME: Aeruginosin NOL3
+CH$NAME: (2S,3aS,7aS)-N-(5-guanidino-1-hydroxypentan-2-yl)-1-((S)-2-hexanamido-3-(4-hydroxyphenyl)propanoyl)-6-hydroxyoctahydro-1H-indole-2-carboxamide                                                                                    (2S)-N-(1-carbamimidoyl-2-hydroxypiperidin-3-yl)-1-((2R)-2-(2-hydroxy-4-(4-hydroxyphenyl)butanamido)-3-(4-hydroxyphenyl)propanoyl)-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C30H48N6O6
+CH$EXACT_MASS: 588.3635333
+CH$SMILES: CCCCCC(N[C@H](C(N([C@H](C(NC(CO)CCCNC(N)=N)=O)C1)[C@@H]2[C@H]1CCC(O)C2)=O)CC3=CC=C(O)C=C3)=O
+CH$IUPAC: InChI=1S/C30H48N6O6/c1-2-3-4-7-27(40)35-24(15-19-8-11-22(38)12-9-19)29(42)36-25-17-23(39)13-10-20(25)16-26(36)28(41)34-21(18-37)6-5-14-33-30(31)32/h8-9,11-12,20-21,23-26,37-39H,2-7,10,13-18H2,1H3,(H,34,41)(H,35,40)(H4,31,32,33)/t20-,21?,23?,24-,25-,26-/m0/s1
+CH$LINK: PUBCHEM CID:146683747
+CH$LINK: INCHIKEY KVEGLZCDCVSBQX-ZHYXHTNASA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-622
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.625 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 589.3708
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-000i-0000090000-b284fa26030f36e97921
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  311.2076 C15H27N4O3+ 2 311.2078 -0.58
+  589.3706 C30H49N6O6+ 1 589.3708 -0.38
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  311.2076 53416.7 10
+  589.3706 5001759.5 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC124003.txt b/Eawag/MSBNK-EAWAG-EC124003.txt
new file mode 100644
index 0000000000..03826ba0de
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC124003.txt
@@ -0,0 +1,48 @@
+ACCESSION: MSBNK-EAWAG-EC124003
+RECORD_TITLE: Aeruginosin NOL3; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1371/journal.pone.0073618
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1240
+CH$NAME: Aeruginosin NOL3
+CH$NAME: (2S,3aS,7aS)-N-(5-guanidino-1-hydroxypentan-2-yl)-1-((S)-2-hexanamido-3-(4-hydroxyphenyl)propanoyl)-6-hydroxyoctahydro-1H-indole-2-carboxamide                                                                                    (2S)-N-(1-carbamimidoyl-2-hydroxypiperidin-3-yl)-1-((2R)-2-(2-hydroxy-4-(4-hydroxyphenyl)butanamido)-3-(4-hydroxyphenyl)propanoyl)-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C30H48N6O6
+CH$EXACT_MASS: 588.3635333
+CH$SMILES: CCCCCC(N[C@H](C(N([C@H](C(NC(CO)CCCNC(N)=N)=O)C1)[C@@H]2[C@H]1CCC(O)C2)=O)CC3=CC=C(O)C=C3)=O
+CH$IUPAC: InChI=1S/C30H48N6O6/c1-2-3-4-7-27(40)35-24(15-19-8-11-22(38)12-9-19)29(42)36-25-17-23(39)13-10-20(25)16-26(36)28(41)34-21(18-37)6-5-14-33-30(31)32/h8-9,11-12,20-21,23-26,37-39H,2-7,10,13-18H2,1H3,(H,34,41)(H,35,40)(H4,31,32,33)/t20-,21?,23?,24-,25-,26-/m0/s1
+CH$LINK: PUBCHEM CID:146683747
+CH$LINK: INCHIKEY KVEGLZCDCVSBQX-ZHYXHTNASA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-622
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.625 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 589.3708
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-000i-0001090000-2e13402aa194d60ff4f7
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  311.2079 C15H27N4O3+ 2 311.2078 0.5
+  328.2345 C15H30N5O3+ 2 328.2343 0.48
+  589.3708 C30H49N6O6+ 1 589.3708 -0.06
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  311.2079 254972.3 69
+  328.2345 164040 44
+  589.3708 3682596 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC124004.txt b/Eawag/MSBNK-EAWAG-EC124004.txt
new file mode 100644
index 0000000000..a8cd3cca6d
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC124004.txt
@@ -0,0 +1,62 @@
+ACCESSION: MSBNK-EAWAG-EC124004
+RECORD_TITLE: Aeruginosin NOL3; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1371/journal.pone.0073618
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1240
+CH$NAME: Aeruginosin NOL3
+CH$NAME: (2S,3aS,7aS)-N-(5-guanidino-1-hydroxypentan-2-yl)-1-((S)-2-hexanamido-3-(4-hydroxyphenyl)propanoyl)-6-hydroxyoctahydro-1H-indole-2-carboxamide                                                                                    (2S)-N-(1-carbamimidoyl-2-hydroxypiperidin-3-yl)-1-((2R)-2-(2-hydroxy-4-(4-hydroxyphenyl)butanamido)-3-(4-hydroxyphenyl)propanoyl)-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C30H48N6O6
+CH$EXACT_MASS: 588.3635333
+CH$SMILES: CCCCCC(N[C@H](C(N([C@H](C(NC(CO)CCCNC(N)=N)=O)C1)[C@@H]2[C@H]1CCC(O)C2)=O)CC3=CC=C(O)C=C3)=O
+CH$IUPAC: InChI=1S/C30H48N6O6/c1-2-3-4-7-27(40)35-24(15-19-8-11-22(38)12-9-19)29(42)36-25-17-23(39)13-10-20(25)16-26(36)28(41)34-21(18-37)6-5-14-33-30(31)32/h8-9,11-12,20-21,23-26,37-39H,2-7,10,13-18H2,1H3,(H,34,41)(H,35,40)(H4,31,32,33)/t20-,21?,23?,24-,25-,26-/m0/s1
+CH$LINK: PUBCHEM CID:146683747
+CH$LINK: INCHIKEY KVEGLZCDCVSBQX-ZHYXHTNASA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-622
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.625 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 589.3708
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-000i-0005090000-19a43c2a6b68668e3643
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  136.0755 C8H10NO+ 1 136.0757 -1.25
+  140.1069 C8H14NO+ 1 140.107 -0.3
+  210.1235 C10H16N3O2+ 1 210.1237 -0.99
+  234.1493 C14H20NO2+ 1 234.1489 2.01
+  286.2124 C14H28N3O3+ 2 286.2125 -0.49
+  293.1974 C15H25N4O2+ 2 293.1972 0.8
+  310.2232 C15H28N5O2+ 2 310.2238 -1.74
+  311.2078 C15H27N4O3+ 2 311.2078 0.1
+  328.2342 C15H30N5O3+ 2 328.2343 -0.26
+  589.371 C30H49N6O6+ 1 589.3708 0.35
+PK$NUM_PEAK: 10
+PK$PEAK: m/z int. rel.int.
+  136.0755 44817.4 19
+  140.1069 57763.4 25
+  210.1235 74645.9 32
+  234.1493 26666.7 11
+  286.2124 77711 33
+  293.1974 40653.4 17
+  310.2232 23756.1 10
+  311.2078 959741.2 418
+  328.2342 526622.5 229
+  589.371 2288286.8 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC124005.txt b/Eawag/MSBNK-EAWAG-EC124005.txt
new file mode 100644
index 0000000000..fe28ee0d36
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC124005.txt
@@ -0,0 +1,90 @@
+ACCESSION: MSBNK-EAWAG-EC124005
+RECORD_TITLE: Aeruginosin NOL3; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1371/journal.pone.0073618
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1240
+CH$NAME: Aeruginosin NOL3
+CH$NAME: (2S,3aS,7aS)-N-(5-guanidino-1-hydroxypentan-2-yl)-1-((S)-2-hexanamido-3-(4-hydroxyphenyl)propanoyl)-6-hydroxyoctahydro-1H-indole-2-carboxamide                                                                                    (2S)-N-(1-carbamimidoyl-2-hydroxypiperidin-3-yl)-1-((2R)-2-(2-hydroxy-4-(4-hydroxyphenyl)butanamido)-3-(4-hydroxyphenyl)propanoyl)-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C30H48N6O6
+CH$EXACT_MASS: 588.3635333
+CH$SMILES: CCCCCC(N[C@H](C(N([C@H](C(NC(CO)CCCNC(N)=N)=O)C1)[C@@H]2[C@H]1CCC(O)C2)=O)CC3=CC=C(O)C=C3)=O
+CH$IUPAC: InChI=1S/C30H48N6O6/c1-2-3-4-7-27(40)35-24(15-19-8-11-22(38)12-9-19)29(42)36-25-17-23(39)13-10-20(25)16-26(36)28(41)34-21(18-37)6-5-14-33-30(31)32/h8-9,11-12,20-21,23-26,37-39H,2-7,10,13-18H2,1H3,(H,34,41)(H,35,40)(H4,31,32,33)/t20-,21?,23?,24-,25-,26-/m0/s1
+CH$LINK: PUBCHEM CID:146683747
+CH$LINK: INCHIKEY KVEGLZCDCVSBQX-ZHYXHTNASA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-622
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.625 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 589.3708
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-03du-0958010000-3ee5f9ad419aae357b75
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  82.0653 C5H8N+ 1 82.0651 2.3
+  84.0808 C5H10N+ 1 84.0808 0.78
+  101.1074 C5H13N2+ 1 101.1073 0.71
+  102.0912 C5H12NO+ 1 102.0913 -1.12
+  119.1179 C5H15N2O+ 1 119.1179 0.2
+  122.0962 C8H12N+ 1 122.0964 -2.07
+  126.1025 C6H12N3+ 1 126.1026 -0.77
+  129.1024 C6H13N2O+ 1 129.1022 1.62
+  136.0756 C8H10NO+ 1 136.0757 -1.02
+  140.1068 C8H14NO+ 1 140.107 -1.61
+  144.113 C6H14N3O+ 1 144.1131 -1.21
+  155.0814 C7H11N2O2+ 1 155.0815 -0.61
+  161.14 C6H17N4O+ 1 161.1397 1.88
+  192.113 C10H14N3O+ 1 192.1131 -0.87
+  210.1234 C10H16N3O2+ 2 210.1237 -1.42
+  234.1485 C14H20NO2+ 2 234.1489 -1.45
+  250.1908 C14H24N3O+ 2 250.1914 -2.16
+  268.2017 C14H26N3O2+ 2 268.202 -0.91
+  276.1711 C15H22N3O2+ 2 276.1707 1.59
+  286.2126 C14H28N3O3+ 3 286.2125 0.15
+  293.1971 C15H25N4O2+ 2 293.1972 -0.44
+  311.2076 C15H27N4O3+ 2 311.2078 -0.39
+  328.2343 C15H30N5O3+ 2 328.2343 -0.17
+  589.37 C30H49N6O6+ 1 589.3708 -1.31
+PK$NUM_PEAK: 24
+PK$PEAK: m/z int. rel.int.
+  82.0653 27973.5 21
+  84.0808 67438.3 51
+  101.1074 32455 24
+  102.0912 155457.1 118
+  119.1179 25125.3 19
+  122.0962 56710.6 43
+  126.1025 52552 40
+  129.1024 22347.2 17
+  136.0756 778484.1 595
+  140.1068 701703.2 537
+  144.113 146726.5 112
+  155.0814 100739.3 77
+  161.14 57353.5 43
+  192.113 56224.6 43
+  210.1234 501269.1 383
+  234.1485 148393.7 113
+  250.1908 30596.9 23
+  268.2017 99751.7 76
+  276.1711 70844.2 54
+  286.2126 206827.2 158
+  293.1971 212765.9 162
+  311.2076 1305403 999
+  328.2343 844972.7 646
+  589.37 258327.9 197
+//
diff --git a/Eawag/MSBNK-EAWAG-EC124006.txt b/Eawag/MSBNK-EAWAG-EC124006.txt
new file mode 100644
index 0000000000..f7fa21c436
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC124006.txt
@@ -0,0 +1,90 @@
+ACCESSION: MSBNK-EAWAG-EC124006
+RECORD_TITLE: Aeruginosin NOL3; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1371/journal.pone.0073618
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1240
+CH$NAME: Aeruginosin NOL3
+CH$NAME: (2S,3aS,7aS)-N-(5-guanidino-1-hydroxypentan-2-yl)-1-((S)-2-hexanamido-3-(4-hydroxyphenyl)propanoyl)-6-hydroxyoctahydro-1H-indole-2-carboxamide                                                                                    (2S)-N-(1-carbamimidoyl-2-hydroxypiperidin-3-yl)-1-((2R)-2-(2-hydroxy-4-(4-hydroxyphenyl)butanamido)-3-(4-hydroxyphenyl)propanoyl)-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C30H48N6O6
+CH$EXACT_MASS: 588.3635333
+CH$SMILES: CCCCCC(N[C@H](C(N([C@H](C(NC(CO)CCCNC(N)=N)=O)C1)[C@@H]2[C@H]1CCC(O)C2)=O)CC3=CC=C(O)C=C3)=O
+CH$IUPAC: InChI=1S/C30H48N6O6/c1-2-3-4-7-27(40)35-24(15-19-8-11-22(38)12-9-19)29(42)36-25-17-23(39)13-10-20(25)16-26(36)28(41)34-21(18-37)6-5-14-33-30(31)32/h8-9,11-12,20-21,23-26,37-39H,2-7,10,13-18H2,1H3,(H,34,41)(H,35,40)(H4,31,32,33)/t20-,21?,23?,24-,25-,26-/m0/s1
+CH$LINK: PUBCHEM CID:146683747
+CH$LINK: INCHIKEY KVEGLZCDCVSBQX-ZHYXHTNASA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-622
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.625 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 589.3708
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-000l-0910000000-05bfe64ad554501be8ef
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  82.0651 C5H8N+ 1 82.0651 -0.49
+  84.0807 C5H10N+ 1 84.0808 -0.85
+  101.1075 C5H13N2+ 1 101.1073 1.69
+  102.0913 C5H12NO+ 1 102.0913 -0.15
+  112.0758 C6H10NO+ 1 112.0757 1.13
+  119.1179 C5H15N2O+ 1 119.1179 -0.12
+  122.0964 C8H12N+ 1 122.0964 -0.25
+  126.1025 C6H12N3+ 1 126.1026 -0.35
+  127.0869 C6H11N2O+ 1 127.0866 2.31
+  129.1022 C6H13N2O+ 1 129.1022 -0.27
+  130.0859 C6H12NO2+ 1 130.0863 -2.6
+  136.0756 C8H10NO+ 1 136.0757 -1.02
+  140.1068 C8H14NO+ 1 140.107 -1.28
+  144.113 C6H14N3O+ 1 144.1131 -1
+  155.0815 C7H11N2O2+ 1 155.0815 -0.12
+  161.1399 C6H17N4O+ 1 161.1397 1.32
+  171.1237 C7H15N4O+ 1 171.124 -2.1
+  192.1126 C10H14N3O+ 2 192.1131 -2.93
+  210.1236 C10H16N3O2+ 1 210.1237 -0.7
+  250.1909 C14H24N3O+ 2 250.1914 -1.98
+  286.2123 C14H28N3O3+ 2 286.2125 -0.6
+  293.197 C15H25N4O2+ 2 293.1972 -0.65
+  311.2074 C15H27N4O3+ 1 311.2078 -1.27
+  328.2345 C15H30N5O3+ 2 328.2343 0.57
+PK$NUM_PEAK: 24
+PK$PEAK: m/z int. rel.int.
+  82.0651 218418.2 118
+  84.0807 158969.8 86
+  101.1075 30403.5 16
+  102.0913 278533.8 151
+  112.0758 20212.4 11
+  119.1179 40227.2 21
+  122.0964 200474.3 109
+  126.1025 92261 50
+  127.0869 22080.6 12
+  129.1022 21731.2 11
+  130.0859 40250.9 21
+  136.0756 1834328.8 999
+  140.1068 1475097.5 803
+  144.113 218512.5 119
+  155.0815 93245.6 50
+  161.1399 61474.6 33
+  171.1237 24097.8 13
+  192.1126 83034.9 45
+  210.1236 431214.5 234
+  250.1909 40371.7 21
+  286.2123 66376.5 36
+  293.197 139166 75
+  311.2074 278752.8 151
+  328.2345 162389.8 88
+//
diff --git a/Eawag/MSBNK-EAWAG-EC124007.txt b/Eawag/MSBNK-EAWAG-EC124007.txt
new file mode 100644
index 0000000000..f242db2633
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC124007.txt
@@ -0,0 +1,84 @@
+ACCESSION: MSBNK-EAWAG-EC124007
+RECORD_TITLE: Aeruginosin NOL3; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1371/journal.pone.0073618
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1240
+CH$NAME: Aeruginosin NOL3
+CH$NAME: (2S,3aS,7aS)-N-(5-guanidino-1-hydroxypentan-2-yl)-1-((S)-2-hexanamido-3-(4-hydroxyphenyl)propanoyl)-6-hydroxyoctahydro-1H-indole-2-carboxamide                                                                                    (2S)-N-(1-carbamimidoyl-2-hydroxypiperidin-3-yl)-1-((2R)-2-(2-hydroxy-4-(4-hydroxyphenyl)butanamido)-3-(4-hydroxyphenyl)propanoyl)-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C30H48N6O6
+CH$EXACT_MASS: 588.3635333
+CH$SMILES: CCCCCC(N[C@H](C(N([C@H](C(NC(CO)CCCNC(N)=N)=O)C1)[C@@H]2[C@H]1CCC(O)C2)=O)CC3=CC=C(O)C=C3)=O
+CH$IUPAC: InChI=1S/C30H48N6O6/c1-2-3-4-7-27(40)35-24(15-19-8-11-22(38)12-9-19)29(42)36-25-17-23(39)13-10-20(25)16-26(36)28(41)34-21(18-37)6-5-14-33-30(31)32/h8-9,11-12,20-21,23-26,37-39H,2-7,10,13-18H2,1H3,(H,34,41)(H,35,40)(H4,31,32,33)/t20-,21?,23?,24-,25-,26-/m0/s1
+CH$LINK: PUBCHEM CID:146683747
+CH$LINK: INCHIKEY KVEGLZCDCVSBQX-ZHYXHTNASA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-622
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.625 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 589.3708
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-000l-1900000000-b5c648b9ce6d3d37cf84
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  60.0557 CH6N3+ 1 60.0556 0.64
+  80.0495 C5H6N+ 1 80.0495 0.1
+  82.0651 C5H8N+ 1 82.0651 -0.67
+  84.0807 C5H10N+ 1 84.0808 -0.58
+  91.0542 C7H7+ 1 91.0542 -0.65
+  98.0353 C3H4N3O+ 1 98.0349 3.89
+  102.0913 C5H12NO+ 1 102.0913 -0.37
+  112.0756 C6H10NO+ 1 112.0757 -0.44
+  119.049 C8H7O+ 1 119.0491 -1.21
+  122.0963 C8H12N+ 1 122.0964 -0.69
+  123.0807 C8H11O+ 1 123.0804 2.13
+  126.1024 C6H12N3+ 1 126.1026 -1.26
+  127.0867 C6H11N2O+ 1 127.0866 1.17
+  130.0865 C6H12NO2+ 1 130.0863 2.09
+  136.0755 C8H10NO+ 1 136.0757 -1.36
+  140.1067 C8H14NO+ 1 140.107 -1.72
+  144.113 C6H14N3O+ 1 144.1131 -1.1
+  155.0815 C7H11N2O2+ 1 155.0815 0.08
+  192.1135 C10H14N3O+ 1 192.1131 1.75
+  210.1235 C10H16N3O2+ 1 210.1237 -0.84
+  293.1967 C15H25N4O2+ 2 293.1972 -1.59
+PK$NUM_PEAK: 21
+PK$PEAK: m/z int. rel.int.
+  60.0557 51279 19
+  80.0495 38860.8 15
+  82.0651 647258.6 252
+  84.0807 240167.6 93
+  91.0542 51411.3 20
+  98.0353 30680.3 11
+  102.0913 316401.4 123
+  112.0756 46016.5 17
+  119.049 115487.6 45
+  122.0963 282565.1 110
+  123.0807 33395.2 13
+  126.1024 93256.8 36
+  127.0867 29990 11
+  130.0865 28153.1 10
+  136.0755 2562203 999
+  140.1067 1650856.4 643
+  144.113 181854.9 70
+  155.0815 50722.1 19
+  192.1135 39585.3 15
+  210.1235 121829.9 47
+  293.1967 43564.8 16
+//
diff --git a/Eawag/MSBNK-EAWAG-EC124008.txt b/Eawag/MSBNK-EAWAG-EC124008.txt
new file mode 100644
index 0000000000..dda663ffd8
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC124008.txt
@@ -0,0 +1,86 @@
+ACCESSION: MSBNK-EAWAG-EC124008
+RECORD_TITLE: Aeruginosin NOL3; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1371/journal.pone.0073618
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1240
+CH$NAME: Aeruginosin NOL3
+CH$NAME: (2S,3aS,7aS)-N-(5-guanidino-1-hydroxypentan-2-yl)-1-((S)-2-hexanamido-3-(4-hydroxyphenyl)propanoyl)-6-hydroxyoctahydro-1H-indole-2-carboxamide                                                                                    (2S)-N-(1-carbamimidoyl-2-hydroxypiperidin-3-yl)-1-((2R)-2-(2-hydroxy-4-(4-hydroxyphenyl)butanamido)-3-(4-hydroxyphenyl)propanoyl)-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C30H48N6O6
+CH$EXACT_MASS: 588.3635333
+CH$SMILES: CCCCCC(N[C@H](C(N([C@H](C(NC(CO)CCCNC(N)=N)=O)C1)[C@@H]2[C@H]1CCC(O)C2)=O)CC3=CC=C(O)C=C3)=O
+CH$IUPAC: InChI=1S/C30H48N6O6/c1-2-3-4-7-27(40)35-24(15-19-8-11-22(38)12-9-19)29(42)36-25-17-23(39)13-10-20(25)16-26(36)28(41)34-21(18-37)6-5-14-33-30(31)32/h8-9,11-12,20-21,23-26,37-39H,2-7,10,13-18H2,1H3,(H,34,41)(H,35,40)(H4,31,32,33)/t20-,21?,23?,24-,25-,26-/m0/s1
+CH$LINK: PUBCHEM CID:146683747
+CH$LINK: INCHIKEY KVEGLZCDCVSBQX-ZHYXHTNASA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-622
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.625 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 589.3708
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-001c-3900000000-60f5ffb367dfb09dc4d6
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  56.0495 C3H6N+ 1 56.0495 -0.2
+  60.0556 CH6N3+ 1 60.0556 0.25
+  67.0542 C5H7+ 1 67.0542 -0.82
+  71.0855 C5H11+ 1 71.0855 -0.04
+  79.0541 C6H7+ 1 79.0542 -2.02
+  80.0495 C5H6N+ 1 80.0495 0.19
+  82.0651 C5H8N+ 1 82.0651 -0.67
+  84.0807 C5H10N+ 1 84.0808 -0.4
+  85.0648 C5H9O+ 1 85.0648 0.56
+  91.0542 C7H7+ 1 91.0542 -0.56
+  95.0856 C7H11+ 1 95.0855 0.44
+  98.0345 C3H4N3O+ 1 98.0349 -3.51
+  102.0913 C5H12NO+ 1 102.0913 -0.3
+  105.0696 C8H9+ 1 105.0699 -2.56
+  112.0757 C6H10NO+ 1 112.0757 -0.3
+  119.0491 C8H7O+ 1 119.0491 -0.7
+  122.0963 C8H12N+ 1 122.0964 -0.82
+  123.08 C8H11O+ 1 123.0804 -3.27
+  126.1022 C6H12N3+ 1 126.1026 -2.71
+  136.0755 C8H10NO+ 1 136.0757 -1.25
+  140.1068 C8H14NO+ 1 140.107 -1.61
+  144.113 C6H14N3O+ 1 144.1131 -0.68
+PK$NUM_PEAK: 22
+PK$PEAK: m/z int. rel.int.
+  56.0495 24489.1 10
+  60.0556 50339.7 21
+  67.0542 32458.9 13
+  71.0855 31744 13
+  79.0541 29263.2 12
+  80.0495 51784.4 21
+  82.0651 1128009.6 477
+  84.0807 265792.5 112
+  85.0648 43731.7 18
+  91.0542 224774.2 95
+  95.0856 29925.7 12
+  98.0345 24816.2 10
+  102.0913 300349 127
+  105.0696 63308.3 26
+  112.0757 52044 22
+  119.0491 317556.4 134
+  122.0963 239568.7 101
+  123.08 60641.1 25
+  126.1022 57339.2 24
+  136.0755 2358197.2 999
+  140.1068 1198254 507
+  144.113 103744.6 43
+//
diff --git a/Eawag/MSBNK-EAWAG-EC124009.txt b/Eawag/MSBNK-EAWAG-EC124009.txt
new file mode 100644
index 0000000000..c53f67d2f9
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC124009.txt
@@ -0,0 +1,86 @@
+ACCESSION: MSBNK-EAWAG-EC124009
+RECORD_TITLE: Aeruginosin NOL3; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1371/journal.pone.0073618
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1240
+CH$NAME: Aeruginosin NOL3
+CH$NAME: (2S,3aS,7aS)-N-(5-guanidino-1-hydroxypentan-2-yl)-1-((S)-2-hexanamido-3-(4-hydroxyphenyl)propanoyl)-6-hydroxyoctahydro-1H-indole-2-carboxamide                                                                                    (2S)-N-(1-carbamimidoyl-2-hydroxypiperidin-3-yl)-1-((2R)-2-(2-hydroxy-4-(4-hydroxyphenyl)butanamido)-3-(4-hydroxyphenyl)propanoyl)-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C30H48N6O6
+CH$EXACT_MASS: 588.3635333
+CH$SMILES: CCCCCC(N[C@H](C(N([C@H](C(NC(CO)CCCNC(N)=N)=O)C1)[C@@H]2[C@H]1CCC(O)C2)=O)CC3=CC=C(O)C=C3)=O
+CH$IUPAC: InChI=1S/C30H48N6O6/c1-2-3-4-7-27(40)35-24(15-19-8-11-22(38)12-9-19)29(42)36-25-17-23(39)13-10-20(25)16-26(36)28(41)34-21(18-37)6-5-14-33-30(31)32/h8-9,11-12,20-21,23-26,37-39H,2-7,10,13-18H2,1H3,(H,34,41)(H,35,40)(H4,31,32,33)/t20-,21?,23?,24-,25-,26-/m0/s1
+CH$LINK: PUBCHEM CID:146683747
+CH$LINK: INCHIKEY KVEGLZCDCVSBQX-ZHYXHTNASA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-622
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.625 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 589.3708
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-001u-7900000000-84dc81245a46f2f7fe48
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  56.0494 C3H6N+ 1 56.0495 -0.48
+  60.0556 CH6N3+ 1 60.0556 -0.44
+  67.0542 C5H7+ 1 67.0542 0.09
+  71.0854 C5H11+ 1 71.0855 -1.23
+  79.0541 C6H7+ 1 79.0542 -1.15
+  80.0494 C5H6N+ 1 80.0495 -0.38
+  82.0651 C5H8N+ 1 82.0651 -0.86
+  84.0807 C5H10N+ 1 84.0808 -0.76
+  85.0646 C5H9O+ 1 85.0648 -2.22
+  91.0542 C7H7+ 1 91.0542 -0.73
+  94.065 C6H8N+ 1 94.0651 -1.73
+  95.0854 C7H11+ 1 95.0855 -1.08
+  102.0912 C5H12NO+ 1 102.0913 -1.2
+  105.0697 C8H9+ 1 105.0699 -1.47
+  112.0756 C6H10NO+ 1 112.0757 -0.5
+  119.049 C8H7O+ 1 119.0491 -0.89
+  122.0963 C8H12N+ 1 122.0964 -0.75
+  123.0803 C8H11O+ 1 123.0804 -1.47
+  126.1025 C6H12N3+ 1 126.1026 -0.35
+  127.0863 C6H11N2O+ 1 127.0866 -2.49
+  136.0755 C8H10NO+ 1 136.0757 -1.47
+  140.1067 C8H14NO+ 1 140.107 -1.72
+PK$NUM_PEAK: 22
+PK$PEAK: m/z int. rel.int.
+  56.0494 42419.6 26
+  60.0556 42510.3 26
+  67.0542 56455.7 35
+  71.0854 33453.3 20
+  79.0541 73103.7 45
+  80.0494 64351.6 40
+  82.0651 1380202.2 858
+  84.0807 265569 165
+  85.0646 37973.1 23
+  91.0542 599379 372
+  94.065 105177 65
+  95.0854 45573.9 28
+  102.0912 205608.9 127
+  105.0697 111190.6 69
+  112.0756 38868.1 24
+  119.049 485168.9 301
+  122.0963 185811.4 115
+  123.0803 50360.9 31
+  126.1025 26023.8 16
+  127.0863 19686.7 12
+  136.0755 1605618.8 999
+  140.1067 579597 360
+//
diff --git a/Eawag/MSBNK-EAWAG-EC124051.txt b/Eawag/MSBNK-EAWAG-EC124051.txt
new file mode 100644
index 0000000000..b28846ab1f
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC124051.txt
@@ -0,0 +1,48 @@
+ACCESSION: MSBNK-EAWAG-EC124051
+RECORD_TITLE: Aeruginosin NOL3; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M-H]-; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1371/journal.pone.0073618
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1240
+CH$NAME: Aeruginosin NOL3
+CH$NAME: (2S,3aS,7aS)-N-(5-guanidino-1-hydroxypentan-2-yl)-1-((S)-2-hexanamido-3-(4-hydroxyphenyl)propanoyl)-6-hydroxyoctahydro-1H-indole-2-carboxamide                                                                                    (2S)-N-(1-carbamimidoyl-2-hydroxypiperidin-3-yl)-1-((2R)-2-(2-hydroxy-4-(4-hydroxyphenyl)butanamido)-3-(4-hydroxyphenyl)propanoyl)-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C30H48N6O6
+CH$EXACT_MASS: 588.3635333
+CH$SMILES: CCCCCC(N[C@H](C(N([C@H](C(NC(CO)CCCNC(N)=N)=O)C1)[C@@H]2[C@H]1CCC(O)C2)=O)CC3=CC=C(O)C=C3)=O
+CH$IUPAC: InChI=1S/C30H48N6O6/c1-2-3-4-7-27(40)35-24(15-19-8-11-22(38)12-9-19)29(42)36-25-17-23(39)13-10-20(25)16-26(36)28(41)34-21(18-37)6-5-14-33-30(31)32/h8-9,11-12,20-21,23-26,37-39H,2-7,10,13-18H2,1H3,(H,34,41)(H,35,40)(H4,31,32,33)/t20-,21?,23?,24-,25-,26-/m0/s1
+CH$LINK: PUBCHEM CID:146683747
+CH$LINK: INCHIKEY KVEGLZCDCVSBQX-ZHYXHTNASA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-620
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.612 min
+MS$FOCUSED_ION: BASE_PEAK 173.0813
+MS$FOCUSED_ION: PRECURSOR_M/Z 587.3563
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-000i-0000090000-bf4bb32c39052990f52a
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  326.2191 C15H28N5O3- 1 326.2198 -2.18
+  481.3143 C23H41N6O5- 2 481.3144 -0.25
+  587.356 C30H47N6O6- 1 587.3563 -0.38
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  326.2191 5200.9 14
+  481.3143 22368.6 63
+  587.356 351793.7 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC124052.txt b/Eawag/MSBNK-EAWAG-EC124052.txt
new file mode 100644
index 0000000000..eea0a2ca0e
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC124052.txt
@@ -0,0 +1,46 @@
+ACCESSION: MSBNK-EAWAG-EC124052
+RECORD_TITLE: Aeruginosin NOL3; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M-H]-; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1371/journal.pone.0073618
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1240
+CH$NAME: Aeruginosin NOL3
+CH$NAME: (2S,3aS,7aS)-N-(5-guanidino-1-hydroxypentan-2-yl)-1-((S)-2-hexanamido-3-(4-hydroxyphenyl)propanoyl)-6-hydroxyoctahydro-1H-indole-2-carboxamide                                                                                    (2S)-N-(1-carbamimidoyl-2-hydroxypiperidin-3-yl)-1-((2R)-2-(2-hydroxy-4-(4-hydroxyphenyl)butanamido)-3-(4-hydroxyphenyl)propanoyl)-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C30H48N6O6
+CH$EXACT_MASS: 588.3635333
+CH$SMILES: CCCCCC(N[C@H](C(N([C@H](C(NC(CO)CCCNC(N)=N)=O)C1)[C@@H]2[C@H]1CCC(O)C2)=O)CC3=CC=C(O)C=C3)=O
+CH$IUPAC: InChI=1S/C30H48N6O6/c1-2-3-4-7-27(40)35-24(15-19-8-11-22(38)12-9-19)29(42)36-25-17-23(39)13-10-20(25)16-26(36)28(41)34-21(18-37)6-5-14-33-30(31)32/h8-9,11-12,20-21,23-26,37-39H,2-7,10,13-18H2,1H3,(H,34,41)(H,35,40)(H4,31,32,33)/t20-,21?,23?,24-,25-,26-/m0/s1
+CH$LINK: PUBCHEM CID:146683747
+CH$LINK: INCHIKEY KVEGLZCDCVSBQX-ZHYXHTNASA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-620
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.612 min
+MS$FOCUSED_ION: BASE_PEAK 173.0813
+MS$FOCUSED_ION: PRECURSOR_M/Z 587.3563
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0019-0000490000-e2c02bda2c1a17f9f2dc
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  481.3136 C23H41N6O5- 2 481.3144 -1.59
+  587.357 C30H47N6O6- 1 587.3563 1.28
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  481.3136 108321.3 551
+  587.357 196039.1 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC124053.txt b/Eawag/MSBNK-EAWAG-EC124053.txt
new file mode 100644
index 0000000000..29450fd7f5
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC124053.txt
@@ -0,0 +1,46 @@
+ACCESSION: MSBNK-EAWAG-EC124053
+RECORD_TITLE: Aeruginosin NOL3; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M-H]-; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1371/journal.pone.0073618
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1240
+CH$NAME: Aeruginosin NOL3
+CH$NAME: (2S,3aS,7aS)-N-(5-guanidino-1-hydroxypentan-2-yl)-1-((S)-2-hexanamido-3-(4-hydroxyphenyl)propanoyl)-6-hydroxyoctahydro-1H-indole-2-carboxamide                                                                                    (2S)-N-(1-carbamimidoyl-2-hydroxypiperidin-3-yl)-1-((2R)-2-(2-hydroxy-4-(4-hydroxyphenyl)butanamido)-3-(4-hydroxyphenyl)propanoyl)-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C30H48N6O6
+CH$EXACT_MASS: 588.3635333
+CH$SMILES: CCCCCC(N[C@H](C(N([C@H](C(NC(CO)CCCNC(N)=N)=O)C1)[C@@H]2[C@H]1CCC(O)C2)=O)CC3=CC=C(O)C=C3)=O
+CH$IUPAC: InChI=1S/C30H48N6O6/c1-2-3-4-7-27(40)35-24(15-19-8-11-22(38)12-9-19)29(42)36-25-17-23(39)13-10-20(25)16-26(36)28(41)34-21(18-37)6-5-14-33-30(31)32/h8-9,11-12,20-21,23-26,37-39H,2-7,10,13-18H2,1H3,(H,34,41)(H,35,40)(H4,31,32,33)/t20-,21?,23?,24-,25-,26-/m0/s1
+CH$LINK: PUBCHEM CID:146683747
+CH$LINK: INCHIKEY KVEGLZCDCVSBQX-ZHYXHTNASA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-620
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.612 min
+MS$FOCUSED_ION: BASE_PEAK 173.0813
+MS$FOCUSED_ION: PRECURSOR_M/Z 587.3563
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-001i-0010900000-1a98de1df9521b2fb02b
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  241.1189 C9H15N5O3- 2 241.118 3.49
+  481.3136 C23H41N6O5- 2 481.3144 -1.59
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  241.1189 19988.6 118
+  481.3136 167851.7 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC124054.txt b/Eawag/MSBNK-EAWAG-EC124054.txt
new file mode 100644
index 0000000000..71fe2c204e
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC124054.txt
@@ -0,0 +1,50 @@
+ACCESSION: MSBNK-EAWAG-EC124054
+RECORD_TITLE: Aeruginosin NOL3; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M-H]-; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1371/journal.pone.0073618
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1240
+CH$NAME: Aeruginosin NOL3
+CH$NAME: (2S,3aS,7aS)-N-(5-guanidino-1-hydroxypentan-2-yl)-1-((S)-2-hexanamido-3-(4-hydroxyphenyl)propanoyl)-6-hydroxyoctahydro-1H-indole-2-carboxamide                                                                                    (2S)-N-(1-carbamimidoyl-2-hydroxypiperidin-3-yl)-1-((2R)-2-(2-hydroxy-4-(4-hydroxyphenyl)butanamido)-3-(4-hydroxyphenyl)propanoyl)-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C30H48N6O6
+CH$EXACT_MASS: 588.3635333
+CH$SMILES: CCCCCC(N[C@H](C(N([C@H](C(NC(CO)CCCNC(N)=N)=O)C1)[C@@H]2[C@H]1CCC(O)C2)=O)CC3=CC=C(O)C=C3)=O
+CH$IUPAC: InChI=1S/C30H48N6O6/c1-2-3-4-7-27(40)35-24(15-19-8-11-22(38)12-9-19)29(42)36-25-17-23(39)13-10-20(25)16-26(36)28(41)34-21(18-37)6-5-14-33-30(31)32/h8-9,11-12,20-21,23-26,37-39H,2-7,10,13-18H2,1H3,(H,34,41)(H,35,40)(H4,31,32,33)/t20-,21?,23?,24-,25-,26-/m0/s1
+CH$LINK: PUBCHEM CID:146683747
+CH$LINK: INCHIKEY KVEGLZCDCVSBQX-ZHYXHTNASA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-620
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.612 min
+MS$FOCUSED_ION: BASE_PEAK 173.0813
+MS$FOCUSED_ION: PRECURSOR_M/Z 587.3563
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-001i-0234900000-7cf55e9e5d1a7de35c5e
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  172.0979 C8H14NO3- 1 172.0979 0.01
+  241.1183 C9H15N5O3- 2 241.118 1.02
+  326.2195 C15H28N5O3- 2 326.2198 -0.68
+  481.3135 C23H41N6O5- 2 481.3144 -1.84
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  172.0979 26093.6 238
+  241.1183 48198 441
+  326.2195 54246.1 496
+  481.3135 109132 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC124501.txt b/Eawag/MSBNK-EAWAG-EC124501.txt
new file mode 100644
index 0000000000..803b72e99f
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC124501.txt
@@ -0,0 +1,48 @@
+ACCESSION: MSBNK-EAWAG-EC124501
+RECORD_TITLE: Aeruginosin NAL2; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1371/journal.pone.0073618
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1245
+CH$NAME: Aeruginosin NAL2
+CH$NAME: (2S,3aS,7aS)-N-(5-guanidino-1-oxopentan-2-yl)-1-(hexanoyl-L-tyrosyl)-6-hydroxyoctahydro-1H-indole-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C30H46N6O6
+CH$EXACT_MASS: 586.3478832
+CH$SMILES: CCCCCC(N[C@H](C(N([C@H](C(NC(C=O)CCCNC(N)=N)=O)C1)[C@@H]2[C@H]1CCC(O)C2)=O)CC3=CC=C(O)C=C3)=O
+CH$IUPAC: InChI=1S/C30H46N6O6/c1-2-3-4-7-27(40)35-24(15-19-8-11-22(38)12-9-19)29(42)36-25-17-23(39)13-10-20(25)16-26(36)28(41)34-21(18-37)6-5-14-33-30(31)32/h8-9,11-12,18,20-21,23-26,38-39H,2-7,10,13-17H2,1H3,(H,34,41)(H,35,40)(H4,31,32,33)/t20-,21?,23?,24-,25-,26-/m0/s1
+CH$LINK: PUBCHEM CID:146683748
+CH$LINK: INCHIKEY NYGVGDLVEMUBNK-ZHYXHTNASA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-620
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.998 min
+MS$FOCUSED_ION: BASE_PEAK 587.3546
+MS$FOCUSED_ION: PRECURSOR_M/Z 587.3552
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-000i-0000090000-40962b314a7944221538
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  527.3225 C29H43N4O5+ 1 527.3228 -0.53
+  569.3443 C30H45N6O5+ 1 569.3446 -0.46
+  587.3548 C30H47N6O6+ 1 587.3552 -0.54
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  527.3225 1413918.4 98
+  569.3443 4319074 301
+  587.3548 14294563 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC124502.txt b/Eawag/MSBNK-EAWAG-EC124502.txt
new file mode 100644
index 0000000000..fa4e48ac38
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC124502.txt
@@ -0,0 +1,50 @@
+ACCESSION: MSBNK-EAWAG-EC124502
+RECORD_TITLE: Aeruginosin NAL2; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1371/journal.pone.0073618
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1245
+CH$NAME: Aeruginosin NAL2
+CH$NAME: (2S,3aS,7aS)-N-(5-guanidino-1-oxopentan-2-yl)-1-(hexanoyl-L-tyrosyl)-6-hydroxyoctahydro-1H-indole-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C30H46N6O6
+CH$EXACT_MASS: 586.3478832
+CH$SMILES: CCCCCC(N[C@H](C(N([C@H](C(NC(C=O)CCCNC(N)=N)=O)C1)[C@@H]2[C@H]1CCC(O)C2)=O)CC3=CC=C(O)C=C3)=O
+CH$IUPAC: InChI=1S/C30H46N6O6/c1-2-3-4-7-27(40)35-24(15-19-8-11-22(38)12-9-19)29(42)36-25-17-23(39)13-10-20(25)16-26(36)28(41)34-21(18-37)6-5-14-33-30(31)32/h8-9,11-12,18,20-21,23-26,38-39H,2-7,10,13-17H2,1H3,(H,34,41)(H,35,40)(H4,31,32,33)/t20-,21?,23?,24-,25-,26-/m0/s1
+CH$LINK: PUBCHEM CID:146683748
+CH$LINK: INCHIKEY NYGVGDLVEMUBNK-ZHYXHTNASA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-620
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.998 min
+MS$FOCUSED_ION: BASE_PEAK 587.3546
+MS$FOCUSED_ION: PRECURSOR_M/Z 587.3552
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-00kr-0000090000-60d04e292fe720232060
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  266.1862 C14H24N3O2+ 2 266.1863 -0.49
+  527.3227 C29H43N4O5+ 1 527.3228 -0.18
+  569.3446 C30H45N6O5+ 1 569.3446 -0.03
+  587.355 C30H47N6O6+ 1 587.3552 -0.34
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  266.1862 599721.3 71
+  527.3227 1785907.2 212
+  569.3446 5255306 625
+  587.355 8391903 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC124503.txt b/Eawag/MSBNK-EAWAG-EC124503.txt
new file mode 100644
index 0000000000..97ef4b5c11
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC124503.txt
@@ -0,0 +1,56 @@
+ACCESSION: MSBNK-EAWAG-EC124503
+RECORD_TITLE: Aeruginosin NAL2; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1371/journal.pone.0073618
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1245
+CH$NAME: Aeruginosin NAL2
+CH$NAME: (2S,3aS,7aS)-N-(5-guanidino-1-oxopentan-2-yl)-1-(hexanoyl-L-tyrosyl)-6-hydroxyoctahydro-1H-indole-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C30H46N6O6
+CH$EXACT_MASS: 586.3478832
+CH$SMILES: CCCCCC(N[C@H](C(N([C@H](C(NC(C=O)CCCNC(N)=N)=O)C1)[C@@H]2[C@H]1CCC(O)C2)=O)CC3=CC=C(O)C=C3)=O
+CH$IUPAC: InChI=1S/C30H46N6O6/c1-2-3-4-7-27(40)35-24(15-19-8-11-22(38)12-9-19)29(42)36-25-17-23(39)13-10-20(25)16-26(36)28(41)34-21(18-37)6-5-14-33-30(31)32/h8-9,11-12,18,20-21,23-26,38-39H,2-7,10,13-17H2,1H3,(H,34,41)(H,35,40)(H4,31,32,33)/t20-,21?,23?,24-,25-,26-/m0/s1
+CH$LINK: PUBCHEM CID:146683748
+CH$LINK: INCHIKEY NYGVGDLVEMUBNK-ZHYXHTNASA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-620
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.998 min
+MS$FOCUSED_ION: BASE_PEAK 587.3546
+MS$FOCUSED_ION: PRECURSOR_M/Z 587.3552
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-014r-0020090000-2c10021a0a88d2e44a65
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  140.1069 C8H14NO+ 1 140.107 -0.41
+  221.1651 C13H21N2O+ 1 221.1648 1.14
+  266.1862 C14H24N3O2+ 2 266.1863 -0.38
+  308.2078 C15H26N5O2+ 2 308.2081 -1.08
+  527.3229 C29H43N4O5+ 1 527.3228 0.17
+  569.3448 C30H45N6O5+ 1 569.3446 0.4
+  587.3552 C30H47N6O6+ 1 587.3552 0.08
+PK$NUM_PEAK: 7
+PK$PEAK: m/z int. rel.int.
+  140.1069 101093.6 16
+  221.1651 88673 14
+  266.1862 2927939 491
+  308.2078 353545.2 59
+  527.3229 1297332.9 217
+  569.3448 5946233 999
+  587.3552 5026424.5 844
+//
diff --git a/Eawag/MSBNK-EAWAG-EC124504.txt b/Eawag/MSBNK-EAWAG-EC124504.txt
new file mode 100644
index 0000000000..6e45ca2039
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC124504.txt
@@ -0,0 +1,64 @@
+ACCESSION: MSBNK-EAWAG-EC124504
+RECORD_TITLE: Aeruginosin NAL2; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1371/journal.pone.0073618
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1245
+CH$NAME: Aeruginosin NAL2
+CH$NAME: (2S,3aS,7aS)-N-(5-guanidino-1-oxopentan-2-yl)-1-(hexanoyl-L-tyrosyl)-6-hydroxyoctahydro-1H-indole-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C30H46N6O6
+CH$EXACT_MASS: 586.3478832
+CH$SMILES: CCCCCC(N[C@H](C(N([C@H](C(NC(C=O)CCCNC(N)=N)=O)C1)[C@@H]2[C@H]1CCC(O)C2)=O)CC3=CC=C(O)C=C3)=O
+CH$IUPAC: InChI=1S/C30H46N6O6/c1-2-3-4-7-27(40)35-24(15-19-8-11-22(38)12-9-19)29(42)36-25-17-23(39)13-10-20(25)16-26(36)28(41)34-21(18-37)6-5-14-33-30(31)32/h8-9,11-12,18,20-21,23-26,38-39H,2-7,10,13-17H2,1H3,(H,34,41)(H,35,40)(H4,31,32,33)/t20-,21?,23?,24-,25-,26-/m0/s1
+CH$LINK: PUBCHEM CID:146683748
+CH$LINK: INCHIKEY NYGVGDLVEMUBNK-ZHYXHTNASA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-620
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.998 min
+MS$FOCUSED_ION: BASE_PEAK 587.3546
+MS$FOCUSED_ION: PRECURSOR_M/Z 587.3552
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-014i-0081090000-9715de2790abd698441c
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  100.0757 C5H10NO+ 1 100.0757 0.32
+  140.1068 C8H14NO+ 1 140.107 -1.39
+  142.0974 C6H12N3O+ 1 142.0975 -0.9
+  221.1646 C13H21N2O+ 1 221.1648 -0.86
+  266.1861 C14H24N3O2+ 2 266.1863 -0.84
+  291.1808 C15H23N4O2+ 2 291.1816 -2.68
+  308.2079 C15H26N5O2+ 3 308.2081 -0.59
+  309.1926 C15H25N4O3+ 2 309.1921 1.57
+  527.324 C29H43N4O5+ 1 527.3228 2.37
+  569.3447 C30H45N6O5+ 1 569.3446 0.19
+  587.3553 C30H47N6O6+ 1 587.3552 0.18
+PK$NUM_PEAK: 11
+PK$PEAK: m/z int. rel.int.
+  100.0757 73278.4 11
+  140.1068 365269.4 56
+  142.0974 106666.2 16
+  221.1646 665663.8 102
+  266.1861 6472970.5 999
+  291.1808 213148.3 32
+  308.2079 1022889.1 157
+  309.1926 500413.2 77
+  527.324 636089.6 98
+  569.3447 4686322.5 723
+  587.3553 2260338.5 348
+//
diff --git a/Eawag/MSBNK-EAWAG-EC124505.txt b/Eawag/MSBNK-EAWAG-EC124505.txt
new file mode 100644
index 0000000000..9c35239762
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC124505.txt
@@ -0,0 +1,88 @@
+ACCESSION: MSBNK-EAWAG-EC124505
+RECORD_TITLE: Aeruginosin NAL2; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1371/journal.pone.0073618
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1245
+CH$NAME: Aeruginosin NAL2
+CH$NAME: (2S,3aS,7aS)-N-(5-guanidino-1-oxopentan-2-yl)-1-(hexanoyl-L-tyrosyl)-6-hydroxyoctahydro-1H-indole-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C30H46N6O6
+CH$EXACT_MASS: 586.3478832
+CH$SMILES: CCCCCC(N[C@H](C(N([C@H](C(NC(C=O)CCCNC(N)=N)=O)C1)[C@@H]2[C@H]1CCC(O)C2)=O)CC3=CC=C(O)C=C3)=O
+CH$IUPAC: InChI=1S/C30H46N6O6/c1-2-3-4-7-27(40)35-24(15-19-8-11-22(38)12-9-19)29(42)36-25-17-23(39)13-10-20(25)16-26(36)28(41)34-21(18-37)6-5-14-33-30(31)32/h8-9,11-12,18,20-21,23-26,38-39H,2-7,10,13-17H2,1H3,(H,34,41)(H,35,40)(H4,31,32,33)/t20-,21?,23?,24-,25-,26-/m0/s1
+CH$LINK: PUBCHEM CID:146683748
+CH$LINK: INCHIKEY NYGVGDLVEMUBNK-ZHYXHTNASA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-620
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.998 min
+MS$FOCUSED_ION: BASE_PEAK 587.3546
+MS$FOCUSED_ION: PRECURSOR_M/Z 587.3552
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-014i-0491000000-b685be97b3363ba96357
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  82.0652 C5H8N+ 1 82.0651 1.19
+  84.0807 C5H10N+ 1 84.0808 -1.31
+  99.0915 C5H11N2+ 1 99.0917 -1.27
+  100.0755 C5H10NO+ 1 100.0757 -2.04
+  124.0869 C6H10N3+ 1 124.0869 0
+  126.1021 C6H12N3+ 1 126.1026 -3.92
+  127.0866 C6H11N2O+ 1 127.0866 -0.27
+  136.0756 C8H10NO+ 1 136.0757 -0.46
+  140.1068 C8H14NO+ 1 140.107 -1.28
+  141.1134 C6H13N4+ 1 141.1135 -0.52
+  142.0978 C6H12N3O+ 1 142.0975 2.32
+  221.1647 C13H21N2O+ 1 221.1648 -0.65
+  234.1484 C14H20NO2+ 2 234.1489 -2.1
+  248.1753 C12H20N6+ 2 248.1744 3.46
+  249.159 C14H21N2O2+ 2 249.1598 -2.89
+  266.1861 C14H24N3O2+ 2 266.1863 -0.61
+  273.1711 C15H21N4O+ 2 273.171 0.35
+  290.1975 C15H24N5O+ 3 290.1975 -0.15
+  291.1817 C15H23N4O2+ 2 291.1816 0.46
+  308.2079 C15H26N5O2+ 3 308.2081 -0.59
+  309.1924 C15H25N4O3+ 2 309.1921 0.97
+  569.3438 C30H45N6O5+ 1 569.3446 -1.42
+  587.3566 C30H47N6O6+ 1 587.3552 2.47
+PK$NUM_PEAK: 23
+PK$PEAK: m/z int. rel.int.
+  82.0652 84678.6 14
+  84.0807 288942 48
+  99.0915 206907.2 34
+  100.0755 274512.3 46
+  124.0869 156969 26
+  126.1021 105691.8 17
+  127.0866 152658 25
+  136.0756 1678540.8 283
+  140.1068 2111817.2 356
+  141.1134 170895.3 28
+  142.0978 225268.3 38
+  221.1647 2996454 506
+  234.1484 371051.1 62
+  248.1753 126955.5 21
+  249.159 302593.8 51
+  266.1861 5911541 999
+  273.1711 234774.9 39
+  290.1975 377451.3 63
+  291.1817 562958.2 95
+  308.2079 1324127.6 223
+  309.1924 621840.7 105
+  569.3438 627837.6 106
+  587.3566 88942.6 15
+//
diff --git a/Eawag/MSBNK-EAWAG-EC124506.txt b/Eawag/MSBNK-EAWAG-EC124506.txt
new file mode 100644
index 0000000000..81844e83da
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC124506.txt
@@ -0,0 +1,86 @@
+ACCESSION: MSBNK-EAWAG-EC124506
+RECORD_TITLE: Aeruginosin NAL2; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1371/journal.pone.0073618
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1245
+CH$NAME: Aeruginosin NAL2
+CH$NAME: (2S,3aS,7aS)-N-(5-guanidino-1-oxopentan-2-yl)-1-(hexanoyl-L-tyrosyl)-6-hydroxyoctahydro-1H-indole-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C30H46N6O6
+CH$EXACT_MASS: 586.3478832
+CH$SMILES: CCCCCC(N[C@H](C(N([C@H](C(NC(C=O)CCCNC(N)=N)=O)C1)[C@@H]2[C@H]1CCC(O)C2)=O)CC3=CC=C(O)C=C3)=O
+CH$IUPAC: InChI=1S/C30H46N6O6/c1-2-3-4-7-27(40)35-24(15-19-8-11-22(38)12-9-19)29(42)36-25-17-23(39)13-10-20(25)16-26(36)28(41)34-21(18-37)6-5-14-33-30(31)32/h8-9,11-12,18,20-21,23-26,38-39H,2-7,10,13-17H2,1H3,(H,34,41)(H,35,40)(H4,31,32,33)/t20-,21?,23?,24-,25-,26-/m0/s1
+CH$LINK: PUBCHEM CID:146683748
+CH$LINK: INCHIKEY NYGVGDLVEMUBNK-ZHYXHTNASA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-620
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.998 min
+MS$FOCUSED_ION: BASE_PEAK 587.3546
+MS$FOCUSED_ION: PRECURSOR_M/Z 587.3552
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-007c-1950000000-00ce5f90bf4754970d1d
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  82.0651 C5H8N+ 1 82.0651 -0.39
+  84.0808 C5H10N+ 1 84.0808 -0.13
+  99.0917 C5H11N2+ 1 99.0917 -0.2
+  100.0756 C5H10NO+ 1 100.0757 -0.82
+  122.0962 C8H12N+ 1 122.0964 -1.69
+  124.0868 C6H10N3+ 1 124.0869 -1.05
+  127.0863 C6H11N2O+ 1 127.0866 -2.13
+  136.0756 C8H10NO+ 1 136.0757 -1.02
+  140.1068 C8H14NO+ 1 140.107 -1.17
+  141.1133 C6H13N4+ 1 141.1135 -1.49
+  142.0973 C6H12N3O+ 1 142.0975 -1.01
+  203.1538 C13H19N2+ 1 203.1543 -2.56
+  210.123 C8H14N6O+ 2 210.1224 3.01
+  221.1647 C13H21N2O+ 1 221.1648 -0.72
+  231.1489 C14H19N2O+ 2 231.1492 -1.45
+  234.1482 C14H20NO2+ 2 234.1489 -2.62
+  249.1598 C14H21N2O2+ 1 249.1598 0.04
+  266.1861 C14H24N3O2+ 2 266.1863 -0.61
+  273.171 C15H21N4O+ 2 273.171 -0.1
+  290.1976 C15H24N5O+ 3 290.1975 0.38
+  291.1818 C15H23N4O2+ 2 291.1816 0.88
+  308.2079 C15H26N5O2+ 2 308.2081 -0.79
+PK$NUM_PEAK: 22
+PK$PEAK: m/z int. rel.int.
+  82.0651 622168.5 122
+  84.0808 872387.6 171
+  99.0917 739535.8 145
+  100.0756 547483.5 107
+  122.0962 264711.6 51
+  124.0868 253040.8 49
+  127.0863 392256.2 77
+  136.0756 5086514 999
+  140.1068 4554347.5 894
+  141.1133 293600 57
+  142.0973 309859.6 60
+  203.1538 136807.5 26
+  210.123 109193.6 21
+  221.1647 3492908.2 686
+  231.1489 237201.1 46
+  234.1482 193776.4 38
+  249.1598 427684.7 83
+  266.1861 1921593.1 377
+  273.171 266992.5 52
+  290.1976 202010.4 39
+  291.1818 256429.3 50
+  308.2079 418860 82
+//
diff --git a/Eawag/MSBNK-EAWAG-EC124507.txt b/Eawag/MSBNK-EAWAG-EC124507.txt
new file mode 100644
index 0000000000..07f0a8f31e
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC124507.txt
@@ -0,0 +1,80 @@
+ACCESSION: MSBNK-EAWAG-EC124507
+RECORD_TITLE: Aeruginosin NAL2; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1371/journal.pone.0073618
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1245
+CH$NAME: Aeruginosin NAL2
+CH$NAME: (2S,3aS,7aS)-N-(5-guanidino-1-oxopentan-2-yl)-1-(hexanoyl-L-tyrosyl)-6-hydroxyoctahydro-1H-indole-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C30H46N6O6
+CH$EXACT_MASS: 586.3478832
+CH$SMILES: CCCCCC(N[C@H](C(N([C@H](C(NC(C=O)CCCNC(N)=N)=O)C1)[C@@H]2[C@H]1CCC(O)C2)=O)CC3=CC=C(O)C=C3)=O
+CH$IUPAC: InChI=1S/C30H46N6O6/c1-2-3-4-7-27(40)35-24(15-19-8-11-22(38)12-9-19)29(42)36-25-17-23(39)13-10-20(25)16-26(36)28(41)34-21(18-37)6-5-14-33-30(31)32/h8-9,11-12,18,20-21,23-26,38-39H,2-7,10,13-17H2,1H3,(H,34,41)(H,35,40)(H4,31,32,33)/t20-,21?,23?,24-,25-,26-/m0/s1
+CH$LINK: PUBCHEM CID:146683748
+CH$LINK: INCHIKEY NYGVGDLVEMUBNK-ZHYXHTNASA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-620
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.998 min
+MS$FOCUSED_ION: BASE_PEAK 587.3546
+MS$FOCUSED_ION: PRECURSOR_M/Z 587.3552
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-000l-2910000000-9a0a49daf8bf807f5bfd
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  82.0651 C5H8N+ 1 82.0651 -0.67
+  84.0807 C5H10N+ 1 84.0808 -0.31
+  97.076 C5H9N2+ 1 97.076 -0.68
+  99.0917 C5H11N2+ 1 99.0917 -0.04
+  100.0756 C5H10NO+ 1 100.0757 -1.28
+  119.0491 C8H7O+ 1 119.0491 -0.76
+  122.0964 C8H12N+ 1 122.0964 -0.13
+  123.0804 C8H11O+ 1 123.0804 -0.48
+  124.0865 C6H10N3+ 1 124.0869 -3.2
+  126.1023 C6H12N3+ 1 126.1026 -2.22
+  127.0864 C6H11N2O+ 1 127.0866 -1.17
+  136.0755 C8H10NO+ 1 136.0757 -1.25
+  140.1068 C8H14NO+ 1 140.107 -1.61
+  141.1132 C6H13N4+ 1 141.1135 -1.81
+  142.0977 C6H12N3O+ 1 142.0975 1.25
+  221.1646 C13H21N2O+ 2 221.1648 -1.27
+  231.1494 C14H19N2O+ 1 231.1492 1.12
+  249.1599 C14H21N2O2+ 1 249.1598 0.6
+  266.1862 C14H24N3O2+ 2 266.1863 -0.49
+PK$NUM_PEAK: 19
+PK$PEAK: m/z int. rel.int.
+  82.0651 1809641.2 260
+  84.0807 1074207.2 154
+  97.076 77082.7 11
+  99.0917 755294.5 108
+  100.0756 660752.5 95
+  119.0491 332251.5 47
+  122.0964 264559.7 38
+  123.0804 80171.8 11
+  124.0865 198112.2 28
+  126.1023 93045.9 13
+  127.0864 212283.3 30
+  136.0755 6930986.5 999
+  140.1068 4639542 668
+  141.1132 258579 37
+  142.0977 206515.9 29
+  221.1646 1879237.6 270
+  231.1494 187258.4 26
+  249.1599 252018.8 36
+  266.1862 324373.4 46
+//
diff --git a/Eawag/MSBNK-EAWAG-EC124508.txt b/Eawag/MSBNK-EAWAG-EC124508.txt
new file mode 100644
index 0000000000..eee9003228
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC124508.txt
@@ -0,0 +1,88 @@
+ACCESSION: MSBNK-EAWAG-EC124508
+RECORD_TITLE: Aeruginosin NAL2; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1371/journal.pone.0073618
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1245
+CH$NAME: Aeruginosin NAL2
+CH$NAME: (2S,3aS,7aS)-N-(5-guanidino-1-oxopentan-2-yl)-1-(hexanoyl-L-tyrosyl)-6-hydroxyoctahydro-1H-indole-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C30H46N6O6
+CH$EXACT_MASS: 586.3478832
+CH$SMILES: CCCCCC(N[C@H](C(N([C@H](C(NC(C=O)CCCNC(N)=N)=O)C1)[C@@H]2[C@H]1CCC(O)C2)=O)CC3=CC=C(O)C=C3)=O
+CH$IUPAC: InChI=1S/C30H46N6O6/c1-2-3-4-7-27(40)35-24(15-19-8-11-22(38)12-9-19)29(42)36-25-17-23(39)13-10-20(25)16-26(36)28(41)34-21(18-37)6-5-14-33-30(31)32/h8-9,11-12,18,20-21,23-26,38-39H,2-7,10,13-17H2,1H3,(H,34,41)(H,35,40)(H4,31,32,33)/t20-,21?,23?,24-,25-,26-/m0/s1
+CH$LINK: PUBCHEM CID:146683748
+CH$LINK: INCHIKEY NYGVGDLVEMUBNK-ZHYXHTNASA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-620
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.998 min
+MS$FOCUSED_ION: BASE_PEAK 587.3546
+MS$FOCUSED_ION: PRECURSOR_M/Z 587.3552
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-001c-4900000000-24d09550b3bba4d25b04
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  70.065 C4H8N+ 1 70.0651 -1.72
+  71.0855 C5H11+ 1 71.0855 -0.9
+  80.0495 C5H6N+ 1 80.0495 0.67
+  82.0651 C5H8N+ 1 82.0651 -0.49
+  84.0808 C5H10N+ 1 84.0808 -0.22
+  91.0542 C7H7+ 1 91.0542 0.02
+  94.0652 C6H8N+ 1 94.0651 0.38
+  95.0852 C7H11+ 1 95.0855 -3.09
+  97.0762 C5H9N2+ 1 97.076 1.44
+  99.0916 C5H11N2+ 1 99.0917 -1.04
+  100.0756 C5H10NO+ 1 100.0757 -1.21
+  105.0698 C8H9+ 1 105.0699 -0.6
+  110.0598 C6H8NO+ 1 110.06 -2.61
+  119.049 C8H7O+ 1 119.0491 -1.14
+  120.0806 C8H10N+ 1 120.0808 -1.25
+  122.0965 C8H12N+ 1 122.0964 0.62
+  124.0867 C6H10N3+ 1 124.0869 -1.6
+  127.0863 C6H11N2O+ 1 127.0866 -2.55
+  136.0755 C8H10NO+ 1 136.0757 -1.25
+  138.0914 C8H12NO+ 1 138.0913 0.71
+  140.1068 C8H14NO+ 1 140.107 -1.5
+  221.1647 C13H21N2O+ 1 221.1648 -0.52
+  249.1599 C14H21N2O2+ 1 249.1598 0.66
+PK$NUM_PEAK: 23
+PK$PEAK: m/z int. rel.int.
+  70.065 113990.7 15
+  71.0855 76966.2 10
+  80.0495 113063.6 15
+  82.0651 3217092.8 448
+  84.0808 1213912.9 169
+  91.0542 639381.3 89
+  94.0652 136322.5 19
+  95.0852 76819.3 10
+  97.0762 85049.2 11
+  99.0916 735663.4 102
+  100.0756 622264.1 86
+  105.0698 179879.8 25
+  110.0598 125975.3 17
+  119.049 992998.4 138
+  120.0806 104408.4 14
+  122.0965 309864.1 43
+  124.0867 258996.5 36
+  127.0863 157454 21
+  136.0755 7167654 999
+  138.0914 95157.4 13
+  140.1068 3762145 524
+  221.1647 748185.9 104
+  249.1599 79902.2 11
+//
diff --git a/Eawag/MSBNK-EAWAG-EC124509.txt b/Eawag/MSBNK-EAWAG-EC124509.txt
new file mode 100644
index 0000000000..02d661f525
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC124509.txt
@@ -0,0 +1,86 @@
+ACCESSION: MSBNK-EAWAG-EC124509
+RECORD_TITLE: Aeruginosin NAL2; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1371/journal.pone.0073618
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1245
+CH$NAME: Aeruginosin NAL2
+CH$NAME: (2S,3aS,7aS)-N-(5-guanidino-1-oxopentan-2-yl)-1-(hexanoyl-L-tyrosyl)-6-hydroxyoctahydro-1H-indole-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C30H46N6O6
+CH$EXACT_MASS: 586.3478832
+CH$SMILES: CCCCCC(N[C@H](C(N([C@H](C(NC(C=O)CCCNC(N)=N)=O)C1)[C@@H]2[C@H]1CCC(O)C2)=O)CC3=CC=C(O)C=C3)=O
+CH$IUPAC: InChI=1S/C30H46N6O6/c1-2-3-4-7-27(40)35-24(15-19-8-11-22(38)12-9-19)29(42)36-25-17-23(39)13-10-20(25)16-26(36)28(41)34-21(18-37)6-5-14-33-30(31)32/h8-9,11-12,18,20-21,23-26,38-39H,2-7,10,13-17H2,1H3,(H,34,41)(H,35,40)(H4,31,32,33)/t20-,21?,23?,24-,25-,26-/m0/s1
+CH$LINK: PUBCHEM CID:146683748
+CH$LINK: INCHIKEY NYGVGDLVEMUBNK-ZHYXHTNASA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-620
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.998 min
+MS$FOCUSED_ION: BASE_PEAK 587.3546
+MS$FOCUSED_ION: PRECURSOR_M/Z 587.3552
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-001c-6900000000-66fa8717b23b32ab81e5
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  70.065 C4H8N+ 1 70.0651 -1.61
+  79.0543 C6H7+ 1 79.0542 0.97
+  80.0495 C5H6N+ 1 80.0495 -0.29
+  82.065 C5H8N+ 1 82.0651 -0.95
+  84.0807 C5H10N+ 1 84.0808 -0.85
+  91.0542 C7H7+ 1 91.0542 -0.65
+  94.0651 C6H8N+ 1 94.0651 -0.76
+  97.076 C5H9N2+ 1 97.076 -0.45
+  99.0916 C5H11N2+ 1 99.0917 -0.81
+  100.0756 C5H10NO+ 1 100.0757 -1.05
+  105.0695 C8H9+ 1 105.0699 -4.01
+  110.0599 C6H8NO+ 1 110.06 -1.08
+  119.049 C8H7O+ 1 119.0491 -1.08
+  120.0808 C8H10N+ 1 120.0808 0.52
+  122.0964 C8H12N+ 1 122.0964 -0.32
+  123.0802 C8H11O+ 1 123.0804 -1.72
+  124.0867 C6H10N3+ 1 124.0869 -1.6
+  125.0706 C6H9N2O+ 1 125.0709 -2.65
+  136.0755 C8H10NO+ 1 136.0757 -1.58
+  138.0909 C8H12NO+ 1 138.0913 -2.93
+  140.1067 C8H14NO+ 1 140.107 -1.83
+  221.1646 C13H21N2O+ 1 221.1648 -0.86
+PK$NUM_PEAK: 22
+PK$PEAK: m/z int. rel.int.
+  70.065 134846.4 21
+  79.0543 260425.2 42
+  80.0495 234196.4 37
+  82.065 4714819 761
+  84.0807 1135538.4 183
+  91.0542 1899181.4 306
+  94.0651 398596.1 64
+  97.076 95911 15
+  99.0916 611182.2 98
+  100.0756 686916.4 110
+  105.0695 359996 58
+  110.0599 141476.4 22
+  119.049 1763196.1 284
+  120.0808 135432.3 21
+  122.0964 313917.9 50
+  123.0802 207043.2 33
+  124.0867 216646.5 34
+  125.0706 78935.3 12
+  136.0755 6188564 999
+  138.0909 96212.3 15
+  140.1067 2229359 359
+  221.1646 294044.7 47
+//
diff --git a/Eawag/MSBNK-EAWAG-EC124551.txt b/Eawag/MSBNK-EAWAG-EC124551.txt
new file mode 100644
index 0000000000..be2c820b73
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC124551.txt
@@ -0,0 +1,48 @@
+ACCESSION: MSBNK-EAWAG-EC124551
+RECORD_TITLE: Aeruginosin NAL2; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M-H]-; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1371/journal.pone.0073618
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1245
+CH$NAME: Aeruginosin NAL2
+CH$NAME: (2S,3aS,7aS)-N-(5-guanidino-1-oxopentan-2-yl)-1-(hexanoyl-L-tyrosyl)-6-hydroxyoctahydro-1H-indole-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C30H46N6O6
+CH$EXACT_MASS: 586.3478832
+CH$SMILES: CCCCCC(N[C@H](C(N([C@H](C(NC(C=O)CCCNC(N)=N)=O)C1)[C@@H]2[C@H]1CCC(O)C2)=O)CC3=CC=C(O)C=C3)=O
+CH$IUPAC: InChI=1S/C30H46N6O6/c1-2-3-4-7-27(40)35-24(15-19-8-11-22(38)12-9-19)29(42)36-25-17-23(39)13-10-20(25)16-26(36)28(41)34-21(18-37)6-5-14-33-30(31)32/h8-9,11-12,18,20-21,23-26,38-39H,2-7,10,13-17H2,1H3,(H,34,41)(H,35,40)(H4,31,32,33)/t20-,21?,23?,24-,25-,26-/m0/s1
+CH$LINK: PUBCHEM CID:146683748
+CH$LINK: INCHIKEY NYGVGDLVEMUBNK-ZHYXHTNASA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-618
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.011 min
+MS$FOCUSED_ION: BASE_PEAK 631.3463
+MS$FOCUSED_ION: PRECURSOR_M/Z 585.3406
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-000i-0000090000-c3fb5e572e7cd37c66df
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  324.2031 C15H26N5O3- 1 324.2041 -3.26
+  479.2984 C23H39N6O5- 2 479.2987 -0.79
+  585.3406 C30H45N6O6- 1 585.3406 -0.04
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  324.2031 70397.8 40
+  479.2984 79150.7 45
+  585.3406 1726436.6 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC124552.txt b/Eawag/MSBNK-EAWAG-EC124552.txt
new file mode 100644
index 0000000000..fb96b290c7
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC124552.txt
@@ -0,0 +1,50 @@
+ACCESSION: MSBNK-EAWAG-EC124552
+RECORD_TITLE: Aeruginosin NAL2; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M-H]-; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1371/journal.pone.0073618
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1245
+CH$NAME: Aeruginosin NAL2
+CH$NAME: (2S,3aS,7aS)-N-(5-guanidino-1-oxopentan-2-yl)-1-(hexanoyl-L-tyrosyl)-6-hydroxyoctahydro-1H-indole-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C30H46N6O6
+CH$EXACT_MASS: 586.3478832
+CH$SMILES: CCCCCC(N[C@H](C(N([C@H](C(NC(C=O)CCCNC(N)=N)=O)C1)[C@@H]2[C@H]1CCC(O)C2)=O)CC3=CC=C(O)C=C3)=O
+CH$IUPAC: InChI=1S/C30H46N6O6/c1-2-3-4-7-27(40)35-24(15-19-8-11-22(38)12-9-19)29(42)36-25-17-23(39)13-10-20(25)16-26(36)28(41)34-21(18-37)6-5-14-33-30(31)32/h8-9,11-12,18,20-21,23-26,38-39H,2-7,10,13-17H2,1H3,(H,34,41)(H,35,40)(H4,31,32,33)/t20-,21?,23?,24-,25-,26-/m0/s1
+CH$LINK: PUBCHEM CID:146683748
+CH$LINK: INCHIKEY NYGVGDLVEMUBNK-ZHYXHTNASA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-618
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.011 min
+MS$FOCUSED_ION: BASE_PEAK 631.3463
+MS$FOCUSED_ION: PRECURSOR_M/Z 585.3406
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-000i-0002390000-45ce0144ecf26d981789
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  260.1273 C13H16N4O2- 2 260.1279 -2.04
+  324.2034 C15H26N5O3- 1 324.2041 -2.13
+  479.2985 C23H39N6O5- 2 479.2987 -0.41
+  585.3403 C30H45N6O6- 1 585.3406 -0.45
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  260.1273 67759.8 71
+  324.2034 211585.6 224
+  479.2985 340163.3 361
+  585.3403 941106 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC124553.txt b/Eawag/MSBNK-EAWAG-EC124553.txt
new file mode 100644
index 0000000000..95fe4a2bd5
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC124553.txt
@@ -0,0 +1,54 @@
+ACCESSION: MSBNK-EAWAG-EC124553
+RECORD_TITLE: Aeruginosin NAL2; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M-H]-; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1371/journal.pone.0073618
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1245
+CH$NAME: Aeruginosin NAL2
+CH$NAME: (2S,3aS,7aS)-N-(5-guanidino-1-oxopentan-2-yl)-1-(hexanoyl-L-tyrosyl)-6-hydroxyoctahydro-1H-indole-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C30H46N6O6
+CH$EXACT_MASS: 586.3478832
+CH$SMILES: CCCCCC(N[C@H](C(N([C@H](C(NC(C=O)CCCNC(N)=N)=O)C1)[C@@H]2[C@H]1CCC(O)C2)=O)CC3=CC=C(O)C=C3)=O
+CH$IUPAC: InChI=1S/C30H46N6O6/c1-2-3-4-7-27(40)35-24(15-19-8-11-22(38)12-9-19)29(42)36-25-17-23(39)13-10-20(25)16-26(36)28(41)34-21(18-37)6-5-14-33-30(31)32/h8-9,11-12,18,20-21,23-26,38-39H,2-7,10,13-17H2,1H3,(H,34,41)(H,35,40)(H4,31,32,33)/t20-,21?,23?,24-,25-,26-/m0/s1
+CH$LINK: PUBCHEM CID:146683748
+CH$LINK: INCHIKEY NYGVGDLVEMUBNK-ZHYXHTNASA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-618
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.011 min
+MS$FOCUSED_ION: BASE_PEAK 631.3463
+MS$FOCUSED_ION: PRECURSOR_M/Z 585.3406
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-00bi-0015940000-5bc261f9e8f52f572580
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  154.0867 C8H12NO2- 2 154.0874 -4.52
+  260.1281 C13H16N4O2- 2 260.1279 0.77
+  324.2034 C15H26N5O3- 1 324.2041 -2.23
+  437.2764 C22H37N4O5- 2 437.2769 -1.17
+  479.2981 C23H39N6O5- 2 479.2987 -1.24
+  585.34 C30H45N6O6- 1 585.3406 -0.98
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  154.0867 57816.4 95
+  260.1281 95795.7 158
+  324.2034 406386.9 670
+  437.2764 50614.3 83
+  479.2981 605165 999
+  585.34 335168.8 553
+//
diff --git a/Eawag/MSBNK-EAWAG-EC124554.txt b/Eawag/MSBNK-EAWAG-EC124554.txt
new file mode 100644
index 0000000000..190b70c1f8
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC124554.txt
@@ -0,0 +1,56 @@
+ACCESSION: MSBNK-EAWAG-EC124554
+RECORD_TITLE: Aeruginosin NAL2; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M-H]-; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1371/journal.pone.0073618
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1245
+CH$NAME: Aeruginosin NAL2
+CH$NAME: (2S,3aS,7aS)-N-(5-guanidino-1-oxopentan-2-yl)-1-(hexanoyl-L-tyrosyl)-6-hydroxyoctahydro-1H-indole-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C30H46N6O6
+CH$EXACT_MASS: 586.3478832
+CH$SMILES: CCCCCC(N[C@H](C(N([C@H](C(NC(C=O)CCCNC(N)=N)=O)C1)[C@@H]2[C@H]1CCC(O)C2)=O)CC3=CC=C(O)C=C3)=O
+CH$IUPAC: InChI=1S/C30H46N6O6/c1-2-3-4-7-27(40)35-24(15-19-8-11-22(38)12-9-19)29(42)36-25-17-23(39)13-10-20(25)16-26(36)28(41)34-21(18-37)6-5-14-33-30(31)32/h8-9,11-12,18,20-21,23-26,38-39H,2-7,10,13-17H2,1H3,(H,34,41)(H,35,40)(H4,31,32,33)/t20-,21?,23?,24-,25-,26-/m0/s1
+CH$LINK: PUBCHEM CID:146683748
+CH$LINK: INCHIKEY NYGVGDLVEMUBNK-ZHYXHTNASA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-618
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.011 min
+MS$FOCUSED_ION: BASE_PEAK 631.3463
+MS$FOCUSED_ION: PRECURSOR_M/Z 585.3406
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-00fr-0247900000-ecba63b688dfd13db54d
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  154.0869 C8H12NO2- 1 154.0874 -3.03
+  255.1814 C11H27O6- 2 255.1813 0.25
+  260.1279 C13H16N4O2- 2 260.1279 0.19
+  282.1812 C12H22N6O2- 2 282.181 0.72
+  324.2033 C15H26N5O3- 1 324.2041 -2.6
+  437.2764 C22H37N4O5- 2 437.2769 -1.31
+  479.2981 C23H39N6O5- 2 479.2987 -1.43
+PK$NUM_PEAK: 7
+PK$PEAK: m/z int. rel.int.
+  154.0869 149798.3 306
+  255.1814 61856.5 126
+  260.1279 100167 204
+  282.1812 116774.6 238
+  324.2033 488946.7 999
+  437.2764 120031 245
+  479.2981 464971.1 950
+//
diff --git a/Eawag/MSBNK-EAWAG-EC124555.txt b/Eawag/MSBNK-EAWAG-EC124555.txt
new file mode 100644
index 0000000000..c6daa9bbbb
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC124555.txt
@@ -0,0 +1,56 @@
+ACCESSION: MSBNK-EAWAG-EC124555
+RECORD_TITLE: Aeruginosin NAL2; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M-H]-; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1371/journal.pone.0073618
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1245
+CH$NAME: Aeruginosin NAL2
+CH$NAME: (2S,3aS,7aS)-N-(5-guanidino-1-oxopentan-2-yl)-1-(hexanoyl-L-tyrosyl)-6-hydroxyoctahydro-1H-indole-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C30H46N6O6
+CH$EXACT_MASS: 586.3478832
+CH$SMILES: CCCCCC(N[C@H](C(N([C@H](C(NC(C=O)CCCNC(N)=N)=O)C1)[C@@H]2[C@H]1CCC(O)C2)=O)CC3=CC=C(O)C=C3)=O
+CH$IUPAC: InChI=1S/C30H46N6O6/c1-2-3-4-7-27(40)35-24(15-19-8-11-22(38)12-9-19)29(42)36-25-17-23(39)13-10-20(25)16-26(36)28(41)34-21(18-37)6-5-14-33-30(31)32/h8-9,11-12,18,20-21,23-26,38-39H,2-7,10,13-17H2,1H3,(H,34,41)(H,35,40)(H4,31,32,33)/t20-,21?,23?,24-,25-,26-/m0/s1
+CH$LINK: PUBCHEM CID:146683748
+CH$LINK: INCHIKEY NYGVGDLVEMUBNK-ZHYXHTNASA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-618
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.011 min
+MS$FOCUSED_ION: BASE_PEAK 631.3463
+MS$FOCUSED_ION: PRECURSOR_M/Z 585.3406
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0089-0595000000-9430759d732d57d53b14
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  114.0925 C6H12NO- 1 114.0924 0.65
+  154.0868 C8H12NO2- 1 154.0874 -3.33
+  183.1135 C9H15N2O2- 1 183.1139 -2.08
+  223.1083 C9H13N5O2- 2 223.1075 3.55
+  264.1707 C12H20N6O- 2 264.1704 0.98
+  282.1812 C12H22N6O2- 2 282.181 0.72
+  324.2035 C15H26N5O3- 1 324.2041 -1.94
+PK$NUM_PEAK: 7
+PK$PEAK: m/z int. rel.int.
+  114.0925 33952.5 94
+  154.0868 173924.1 482
+  183.1135 42351.9 117
+  223.1083 46669.3 129
+  264.1707 39241.2 108
+  282.1812 360094.6 999
+  324.2035 289150.4 802
+//
diff --git a/Eawag/MSBNK-EAWAG-EC124556.txt b/Eawag/MSBNK-EAWAG-EC124556.txt
new file mode 100644
index 0000000000..7e25980a87
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC124556.txt
@@ -0,0 +1,56 @@
+ACCESSION: MSBNK-EAWAG-EC124556
+RECORD_TITLE: Aeruginosin NAL2; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M-H]-; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1371/journal.pone.0073618
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1245
+CH$NAME: Aeruginosin NAL2
+CH$NAME: (2S,3aS,7aS)-N-(5-guanidino-1-oxopentan-2-yl)-1-(hexanoyl-L-tyrosyl)-6-hydroxyoctahydro-1H-indole-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C30H46N6O6
+CH$EXACT_MASS: 586.3478832
+CH$SMILES: CCCCCC(N[C@H](C(N([C@H](C(NC(C=O)CCCNC(N)=N)=O)C1)[C@@H]2[C@H]1CCC(O)C2)=O)CC3=CC=C(O)C=C3)=O
+CH$IUPAC: InChI=1S/C30H46N6O6/c1-2-3-4-7-27(40)35-24(15-19-8-11-22(38)12-9-19)29(42)36-25-17-23(39)13-10-20(25)16-26(36)28(41)34-21(18-37)6-5-14-33-30(31)32/h8-9,11-12,18,20-21,23-26,38-39H,2-7,10,13-17H2,1H3,(H,34,41)(H,35,40)(H4,31,32,33)/t20-,21?,23?,24-,25-,26-/m0/s1
+CH$LINK: PUBCHEM CID:146683748
+CH$LINK: INCHIKEY NYGVGDLVEMUBNK-ZHYXHTNASA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-618
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.011 min
+MS$FOCUSED_ION: BASE_PEAK 631.3463
+MS$FOCUSED_ION: PRECURSOR_M/Z 585.3406
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-001i-0591000000-9e5fc1a1686bbc04bb3a
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  141.0667 C6H9N2O2- 1 141.067 -1.88
+  154.0865 C6H10N4O- 1 154.086 3.4
+  180.102 C8H12N4O- 1 180.1017 1.81
+  183.1132 C9H15N2O2- 2 183.1139 -4.08
+  264.1707 C12H20N6O- 2 264.1704 1.21
+  282.1812 C12H22N6O2- 2 282.181 0.94
+  324.2038 C15H26N5O3- 1 324.2041 -0.91
+PK$NUM_PEAK: 7
+PK$PEAK: m/z int. rel.int.
+  141.0667 28532.6 80
+  154.0865 112203.8 317
+  180.102 76914.6 217
+  183.1132 66718.5 189
+  264.1707 88985.9 252
+  282.1812 352498.3 999
+  324.2038 56930.6 161
+//
diff --git a/Eawag/MSBNK-EAWAG-EC125001.txt b/Eawag/MSBNK-EAWAG-EC125001.txt
new file mode 100644
index 0000000000..c196b860ab
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC125001.txt
@@ -0,0 +1,45 @@
+ACCESSION: MSBNK-EAWAG-EC125001
+RECORD_TITLE: Spumigin D; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1111/j.1365-2958.2009.06816.x
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1250
+CH$NAME: Spumigin D
+CH$NAME: (2S)-N-(5-guanidino-1-hydroxypentan-2-yl)-1-((R)-2-((R)-2-hydroxy-3-(4-hydroxyphenyl)propanamido)-4-(4-hydroxyphenyl)butanoyl)pyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C30H42N6O7
+CH$EXACT_MASS: 598.3114977
+CH$SMILES: OC1=CC=C(C[C@@H](O)C(N[C@@H](C(N2[C@H](C(NC(CCCNC(N)=N)CO)=O)CCC2)=O)CCC3=CC=C(O)C=C3)=O)C=C1
+CH$IUPAC: InChI=1S/C30H42N6O7/c31-30(32)33-15-1-3-21(18-37)34-27(41)25-4-2-16-36(25)29(43)24(14-9-19-5-10-22(38)11-6-19)35-28(42)26(40)17-20-7-12-23(39)13-8-20/h5-8,10-13,21,24-26,37-40H,1-4,9,14-18H2,(H,34,41)(H,35,42)(H4,31,32,33)/t21?,24-,25+,26-/m1/s1
+CH$LINK: PUBCHEM CID:146684744
+CH$LINK: INCHIKEY KRNLOYZRJLTDBI-TUJAQADMSA-N
+CH$LINK: CHEMSPIDER 64868961
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-632
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.125 min
+MS$FOCUSED_ION: BASE_PEAK 132.9582
+MS$FOCUSED_ION: PRECURSOR_M/Z 599.3188
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0002-0000090000-6c1fd8a5dd4c33f0ebbb
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  599.3191 C30H43N6O7+ 1 599.3188 0.51
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  599.3191 888764.5 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC125002.txt b/Eawag/MSBNK-EAWAG-EC125002.txt
new file mode 100644
index 0000000000..5fab5c773e
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC125002.txt
@@ -0,0 +1,45 @@
+ACCESSION: MSBNK-EAWAG-EC125002
+RECORD_TITLE: Spumigin D; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1111/j.1365-2958.2009.06816.x
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1250
+CH$NAME: Spumigin D
+CH$NAME: (2S)-N-(5-guanidino-1-hydroxypentan-2-yl)-1-((R)-2-((R)-2-hydroxy-3-(4-hydroxyphenyl)propanamido)-4-(4-hydroxyphenyl)butanoyl)pyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C30H42N6O7
+CH$EXACT_MASS: 598.3114977
+CH$SMILES: OC1=CC=C(C[C@@H](O)C(N[C@@H](C(N2[C@H](C(NC(CCCNC(N)=N)CO)=O)CCC2)=O)CCC3=CC=C(O)C=C3)=O)C=C1
+CH$IUPAC: InChI=1S/C30H42N6O7/c31-30(32)33-15-1-3-21(18-37)34-27(41)25-4-2-16-36(25)29(43)24(14-9-19-5-10-22(38)11-6-19)35-28(42)26(40)17-20-7-12-23(39)13-8-20/h5-8,10-13,21,24-26,37-40H,1-4,9,14-18H2,(H,34,41)(H,35,42)(H4,31,32,33)/t21?,24-,25+,26-/m1/s1
+CH$LINK: PUBCHEM CID:146684744
+CH$LINK: INCHIKEY KRNLOYZRJLTDBI-TUJAQADMSA-N
+CH$LINK: CHEMSPIDER 64868961
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-632
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.125 min
+MS$FOCUSED_ION: BASE_PEAK 132.9582
+MS$FOCUSED_ION: PRECURSOR_M/Z 599.3188
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0002-0000090000-e52fa1b965a1b7d63cdd
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  599.319 C30H43N6O7+ 1 599.3188 0.41
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  599.319 775519.2 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC125003.txt b/Eawag/MSBNK-EAWAG-EC125003.txt
new file mode 100644
index 0000000000..cfbcdbda3a
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC125003.txt
@@ -0,0 +1,45 @@
+ACCESSION: MSBNK-EAWAG-EC125003
+RECORD_TITLE: Spumigin D; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1111/j.1365-2958.2009.06816.x
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1250
+CH$NAME: Spumigin D
+CH$NAME: (2S)-N-(5-guanidino-1-hydroxypentan-2-yl)-1-((R)-2-((R)-2-hydroxy-3-(4-hydroxyphenyl)propanamido)-4-(4-hydroxyphenyl)butanoyl)pyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C30H42N6O7
+CH$EXACT_MASS: 598.3114977
+CH$SMILES: OC1=CC=C(C[C@@H](O)C(N[C@@H](C(N2[C@H](C(NC(CCCNC(N)=N)CO)=O)CCC2)=O)CCC3=CC=C(O)C=C3)=O)C=C1
+CH$IUPAC: InChI=1S/C30H42N6O7/c31-30(32)33-15-1-3-21(18-37)34-27(41)25-4-2-16-36(25)29(43)24(14-9-19-5-10-22(38)11-6-19)35-28(42)26(40)17-20-7-12-23(39)13-8-20/h5-8,10-13,21,24-26,37-40H,1-4,9,14-18H2,(H,34,41)(H,35,42)(H4,31,32,33)/t21?,24-,25+,26-/m1/s1
+CH$LINK: PUBCHEM CID:146684744
+CH$LINK: INCHIKEY KRNLOYZRJLTDBI-TUJAQADMSA-N
+CH$LINK: CHEMSPIDER 64868961
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-632
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.125 min
+MS$FOCUSED_ION: BASE_PEAK 132.9582
+MS$FOCUSED_ION: PRECURSOR_M/Z 599.3188
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0002-0000090000-33da647c2f15cc29fa60
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  599.3188 C30H43N6O7+ 1 599.3188 0.1
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  599.3188 577488.4 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC125004.txt b/Eawag/MSBNK-EAWAG-EC125004.txt
new file mode 100644
index 0000000000..46b84a8e9f
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC125004.txt
@@ -0,0 +1,49 @@
+ACCESSION: MSBNK-EAWAG-EC125004
+RECORD_TITLE: Spumigin D; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1111/j.1365-2958.2009.06816.x
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1250
+CH$NAME: Spumigin D
+CH$NAME: (2S)-N-(5-guanidino-1-hydroxypentan-2-yl)-1-((R)-2-((R)-2-hydroxy-3-(4-hydroxyphenyl)propanamido)-4-(4-hydroxyphenyl)butanoyl)pyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C30H42N6O7
+CH$EXACT_MASS: 598.3114977
+CH$SMILES: OC1=CC=C(C[C@@H](O)C(N[C@@H](C(N2[C@H](C(NC(CCCNC(N)=N)CO)=O)CCC2)=O)CCC3=CC=C(O)C=C3)=O)C=C1
+CH$IUPAC: InChI=1S/C30H42N6O7/c31-30(32)33-15-1-3-21(18-37)34-27(41)25-4-2-16-36(25)29(43)24(14-9-19-5-10-22(38)11-6-19)35-28(42)26(40)17-20-7-12-23(39)13-8-20/h5-8,10-13,21,24-26,37-40H,1-4,9,14-18H2,(H,34,41)(H,35,42)(H4,31,32,33)/t21?,24-,25+,26-/m1/s1
+CH$LINK: PUBCHEM CID:146684744
+CH$LINK: INCHIKEY KRNLOYZRJLTDBI-TUJAQADMSA-N
+CH$LINK: CHEMSPIDER 64868961
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-632
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.125 min
+MS$FOCUSED_ION: BASE_PEAK 132.9582
+MS$FOCUSED_ION: PRECURSOR_M/Z 599.3188
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0002-0040090000-cb88fb0f68e4d2aff1c5
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  70.0653 C4H8N+ 1 70.0651 2.1
+  241.166 C11H21N4O2+ 2 241.1659 0.58
+  599.3189 C30H43N6O7+ 1 599.3188 0.2
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  70.0653 30463.1 86
+  241.166 159341.3 451
+  599.3189 352758.2 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC125005.txt b/Eawag/MSBNK-EAWAG-EC125005.txt
new file mode 100644
index 0000000000..6aac6bda2f
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC125005.txt
@@ -0,0 +1,59 @@
+ACCESSION: MSBNK-EAWAG-EC125005
+RECORD_TITLE: Spumigin D; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1111/j.1365-2958.2009.06816.x
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1250
+CH$NAME: Spumigin D
+CH$NAME: (2S)-N-(5-guanidino-1-hydroxypentan-2-yl)-1-((R)-2-((R)-2-hydroxy-3-(4-hydroxyphenyl)propanamido)-4-(4-hydroxyphenyl)butanoyl)pyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C30H42N6O7
+CH$EXACT_MASS: 598.3114977
+CH$SMILES: OC1=CC=C(C[C@@H](O)C(N[C@@H](C(N2[C@H](C(NC(CCCNC(N)=N)CO)=O)CCC2)=O)CCC3=CC=C(O)C=C3)=O)C=C1
+CH$IUPAC: InChI=1S/C30H42N6O7/c31-30(32)33-15-1-3-21(18-37)34-27(41)25-4-2-16-36(25)29(43)24(14-9-19-5-10-22(38)11-6-19)35-28(42)26(40)17-20-7-12-23(39)13-8-20/h5-8,10-13,21,24-26,37-40H,1-4,9,14-18H2,(H,34,41)(H,35,42)(H4,31,32,33)/t21?,24-,25+,26-/m1/s1
+CH$LINK: PUBCHEM CID:146684744
+CH$LINK: INCHIKEY KRNLOYZRJLTDBI-TUJAQADMSA-N
+CH$LINK: CHEMSPIDER 64868961
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-632
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.125 min
+MS$FOCUSED_ION: BASE_PEAK 132.9582
+MS$FOCUSED_ION: PRECURSOR_M/Z 599.3188
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-006x-5970000000-63fff5042e9032174781
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  70.0651 C4H8N+ 1 70.0651 -0.08
+  102.0914 C5H12NO+ 1 102.0913 0.75
+  133.0647 C9H9O+ 1 133.0648 -0.54
+  140.0818 C6H10N3O+ 1 140.0818 -0.15
+  144.113 C6H14N3O+ 1 144.1131 -0.68
+  182.0814 C9H12NO3+ 1 182.0812 1.24
+  216.1707 C10H22N3O2+ 1 216.1707 0.11
+  241.166 C11H21N4O2+ 1 241.1659 0.39
+PK$NUM_PEAK: 8
+PK$PEAK: m/z int. rel.int.
+  70.0651 146603.4 856
+  102.0914 49119.3 287
+  133.0647 42253.1 246
+  140.0818 58947.1 344
+  144.113 52090.2 304
+  182.0814 43270.3 252
+  216.1707 24097 140
+  241.166 170954.3 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC125006.txt b/Eawag/MSBNK-EAWAG-EC125006.txt
new file mode 100644
index 0000000000..0ae23adbec
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC125006.txt
@@ -0,0 +1,61 @@
+ACCESSION: MSBNK-EAWAG-EC125006
+RECORD_TITLE: Spumigin D; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1111/j.1365-2958.2009.06816.x
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1250
+CH$NAME: Spumigin D
+CH$NAME: (2S)-N-(5-guanidino-1-hydroxypentan-2-yl)-1-((R)-2-((R)-2-hydroxy-3-(4-hydroxyphenyl)propanamido)-4-(4-hydroxyphenyl)butanoyl)pyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C30H42N6O7
+CH$EXACT_MASS: 598.3114977
+CH$SMILES: OC1=CC=C(C[C@@H](O)C(N[C@@H](C(N2[C@H](C(NC(CCCNC(N)=N)CO)=O)CCC2)=O)CCC3=CC=C(O)C=C3)=O)C=C1
+CH$IUPAC: InChI=1S/C30H42N6O7/c31-30(32)33-15-1-3-21(18-37)34-27(41)25-4-2-16-36(25)29(43)24(14-9-19-5-10-22(38)11-6-19)35-28(42)26(40)17-20-7-12-23(39)13-8-20/h5-8,10-13,21,24-26,37-40H,1-4,9,14-18H2,(H,34,41)(H,35,42)(H4,31,32,33)/t21?,24-,25+,26-/m1/s1
+CH$LINK: PUBCHEM CID:146684744
+CH$LINK: INCHIKEY KRNLOYZRJLTDBI-TUJAQADMSA-N
+CH$LINK: CHEMSPIDER 64868961
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-632
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.125 min
+MS$FOCUSED_ION: BASE_PEAK 132.9582
+MS$FOCUSED_ION: PRECURSOR_M/Z 599.3188
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-05fr-7920000000-6f41fcd0001377ec31d8
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  70.0651 C4H8N+ 1 70.0651 0.03
+  107.0492 C7H7O+ 1 107.0491 0.83
+  133.0649 C9H9O+ 1 133.0648 0.95
+  140.0817 C6H10N3O+ 1 140.0818 -0.81
+  144.1128 C6H14N3O+ 1 144.1131 -2.27
+  150.0914 C9H12NO+ 1 150.0913 0.68
+  182.0815 C9H12NO3+ 1 182.0812 1.74
+  208.0968 C11H14NO3+ 1 208.0968 0.02
+  241.1666 C11H21N4O2+ 2 241.1659 3.05
+PK$NUM_PEAK: 9
+PK$PEAK: m/z int. rel.int.
+  70.0651 298500.8 999
+  107.0492 147674.4 494
+  133.0649 48382.7 161
+  140.0817 41862.4 140
+  144.1128 79201.4 265
+  150.0914 17901.6 59
+  182.0815 23795.7 79
+  208.0968 65461.3 219
+  241.1666 26875.9 89
+//
diff --git a/Eawag/MSBNK-EAWAG-EC125007.txt b/Eawag/MSBNK-EAWAG-EC125007.txt
new file mode 100644
index 0000000000..42545c5b23
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC125007.txt
@@ -0,0 +1,57 @@
+ACCESSION: MSBNK-EAWAG-EC125007
+RECORD_TITLE: Spumigin D; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1111/j.1365-2958.2009.06816.x
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1250
+CH$NAME: Spumigin D
+CH$NAME: (2S)-N-(5-guanidino-1-hydroxypentan-2-yl)-1-((R)-2-((R)-2-hydroxy-3-(4-hydroxyphenyl)propanamido)-4-(4-hydroxyphenyl)butanoyl)pyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C30H42N6O7
+CH$EXACT_MASS: 598.3114977
+CH$SMILES: OC1=CC=C(C[C@@H](O)C(N[C@@H](C(N2[C@H](C(NC(CCCNC(N)=N)CO)=O)CCC2)=O)CCC3=CC=C(O)C=C3)=O)C=C1
+CH$IUPAC: InChI=1S/C30H42N6O7/c31-30(32)33-15-1-3-21(18-37)34-27(41)25-4-2-16-36(25)29(43)24(14-9-19-5-10-22(38)11-6-19)35-28(42)26(40)17-20-7-12-23(39)13-8-20/h5-8,10-13,21,24-26,37-40H,1-4,9,14-18H2,(H,34,41)(H,35,42)(H4,31,32,33)/t21?,24-,25+,26-/m1/s1
+CH$LINK: PUBCHEM CID:146684744
+CH$LINK: INCHIKEY KRNLOYZRJLTDBI-TUJAQADMSA-N
+CH$LINK: CHEMSPIDER 64868961
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-632
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.125 min
+MS$FOCUSED_ION: BASE_PEAK 132.9582
+MS$FOCUSED_ION: PRECURSOR_M/Z 599.3188
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-05fr-9800000000-f6bc080c7280dcd7ebf4
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  44.0494 C2H6N+ 1 44.0495 -1.33
+  70.0651 C4H8N+ 1 70.0651 0.14
+  84.0807 C5H10N+ 1 84.0808 -0.58
+  102.0914 C5H12NO+ 1 102.0913 1.05
+  107.0491 C7H7O+ 1 107.0491 -0.59
+  133.0644 C9H9O+ 1 133.0648 -3.17
+  144.1129 C6H14N3O+ 1 144.1131 -1.63
+PK$NUM_PEAK: 7
+PK$PEAK: m/z int. rel.int.
+  44.0494 34049.5 85
+  70.0651 395844 999
+  84.0807 47292.9 119
+  102.0914 79198.8 199
+  107.0491 240633.6 607
+  133.0644 51987.9 131
+  144.1129 60346.2 152
+//
diff --git a/Eawag/MSBNK-EAWAG-EC125008.txt b/Eawag/MSBNK-EAWAG-EC125008.txt
new file mode 100644
index 0000000000..de572a7034
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC125008.txt
@@ -0,0 +1,55 @@
+ACCESSION: MSBNK-EAWAG-EC125008
+RECORD_TITLE: Spumigin D; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1111/j.1365-2958.2009.06816.x
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1250
+CH$NAME: Spumigin D
+CH$NAME: (2S)-N-(5-guanidino-1-hydroxypentan-2-yl)-1-((R)-2-((R)-2-hydroxy-3-(4-hydroxyphenyl)propanamido)-4-(4-hydroxyphenyl)butanoyl)pyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C30H42N6O7
+CH$EXACT_MASS: 598.3114977
+CH$SMILES: OC1=CC=C(C[C@@H](O)C(N[C@@H](C(N2[C@H](C(NC(CCCNC(N)=N)CO)=O)CCC2)=O)CCC3=CC=C(O)C=C3)=O)C=C1
+CH$IUPAC: InChI=1S/C30H42N6O7/c31-30(32)33-15-1-3-21(18-37)34-27(41)25-4-2-16-36(25)29(43)24(14-9-19-5-10-22(38)11-6-19)35-28(42)26(40)17-20-7-12-23(39)13-8-20/h5-8,10-13,21,24-26,37-40H,1-4,9,14-18H2,(H,34,41)(H,35,42)(H4,31,32,33)/t21?,24-,25+,26-/m1/s1
+CH$LINK: PUBCHEM CID:146684744
+CH$LINK: INCHIKEY KRNLOYZRJLTDBI-TUJAQADMSA-N
+CH$LINK: CHEMSPIDER 64868961
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-632
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.125 min
+MS$FOCUSED_ION: BASE_PEAK 132.9582
+MS$FOCUSED_ION: PRECURSOR_M/Z 599.3188
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-05fr-9800000000-f7dafea3ad9bcb6b57cb
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  44.0494 C2H6N+ 1 44.0495 -0.64
+  70.0651 C4H8N+ 1 70.0651 -0.08
+  102.0913 C5H12NO+ 1 102.0913 -0.37
+  107.0491 C7H7O+ 1 107.0491 0.05
+  133.0642 C9H9O+ 1 133.0648 -4.66
+  144.1131 C6H14N3O+ 1 144.1131 0.06
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  44.0494 33065.6 81
+  70.0651 404393 999
+  102.0913 56094.1 138
+  107.0491 305965 755
+  133.0642 43749.6 108
+  144.1131 27735.4 68
+//
diff --git a/Eawag/MSBNK-EAWAG-EC125009.txt b/Eawag/MSBNK-EAWAG-EC125009.txt
new file mode 100644
index 0000000000..38c5738a49
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC125009.txt
@@ -0,0 +1,55 @@
+ACCESSION: MSBNK-EAWAG-EC125009
+RECORD_TITLE: Spumigin D; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1111/j.1365-2958.2009.06816.x
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1250
+CH$NAME: Spumigin D
+CH$NAME: (2S)-N-(5-guanidino-1-hydroxypentan-2-yl)-1-((R)-2-((R)-2-hydroxy-3-(4-hydroxyphenyl)propanamido)-4-(4-hydroxyphenyl)butanoyl)pyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C30H42N6O7
+CH$EXACT_MASS: 598.3114977
+CH$SMILES: OC1=CC=C(C[C@@H](O)C(N[C@@H](C(N2[C@H](C(NC(CCCNC(N)=N)CO)=O)CCC2)=O)CCC3=CC=C(O)C=C3)=O)C=C1
+CH$IUPAC: InChI=1S/C30H42N6O7/c31-30(32)33-15-1-3-21(18-37)34-27(41)25-4-2-16-36(25)29(43)24(14-9-19-5-10-22(38)11-6-19)35-28(42)26(40)17-20-7-12-23(39)13-8-20/h5-8,10-13,21,24-26,37-40H,1-4,9,14-18H2,(H,34,41)(H,35,42)(H4,31,32,33)/t21?,24-,25+,26-/m1/s1
+CH$LINK: PUBCHEM CID:146684744
+CH$LINK: INCHIKEY KRNLOYZRJLTDBI-TUJAQADMSA-N
+CH$LINK: CHEMSPIDER 64868961
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-632
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.125 min
+MS$FOCUSED_ION: BASE_PEAK 132.9582
+MS$FOCUSED_ION: PRECURSOR_M/Z 599.3188
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-05fr-9800000000-15e60c1f53e4c91873e8
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  70.0651 C4H8N+ 1 70.0651 -0.3
+  84.0808 C5H10N+ 1 84.0808 -0.04
+  102.0913 C5H12NO+ 1 102.0913 -0.45
+  107.0491 C7H7O+ 1 107.0491 -0.66
+  119.0494 C8H7O+ 1 119.0491 2.19
+  133.0647 C9H9O+ 1 133.0648 -0.88
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  70.0651 380504.1 999
+  84.0808 49467.6 129
+  102.0913 41013.9 107
+  107.0491 308515.2 809
+  119.0494 14129.7 37
+  133.0647 36067.8 94
+//
diff --git a/Eawag/MSBNK-EAWAG-EC125101.txt b/Eawag/MSBNK-EAWAG-EC125101.txt
new file mode 100644
index 0000000000..fb06e3ba96
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC125101.txt
@@ -0,0 +1,45 @@
+ACCESSION: MSBNK-EAWAG-EC125101
+RECORD_TITLE: Dihydrospumigin M (and isomers); LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], F. Rios Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.toxicon.2015.09.019
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 1251
+CH$NAME: Dihydrospumigin M (and isomers)
+CH$NAME: (2S)-N-((R)-5-guanidino-1-hydroxypentan-2-yl)-1-((2-hydroxy-4-(4-hydroxyphenyl)butanoyl)-D-tyrosyl)pyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C30H42N6O7
+CH$EXACT_MASS: 598.3114977
+CH$SMILES: OC1=CC=C(CCC(O)C(N[C@H](CC2=CC=C(O)C=C2)C(N3[C@H](C(N[C@H](CCCNC(N)=N)CO)=O)CCC3)=O)=O)C=C1
+CH$IUPAC: InChI=1S/C30H42N6O7/c31-30(32)33-15-1-3-21(18-37)34-27(41)25-4-2-16-36(25)29(43)24(17-20-7-12-23(39)13-8-20)35-28(42)26(40)14-9-19-5-10-22(38)11-6-19/h5-8,10-13,21,24-26,37-40H,1-4,9,14-18H2,(H,34,41)(H,35,42)(H4,31,32,33)/t21-,24-,25+,26?/m1/s1
+CH$LINK: PUBCHEM CID:139589789
+CH$LINK: INCHIKEY WKADCTRDFMBYPU-LXRNPWNFSA-N
+CH$LINK: CHEMSPIDER 78439002
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-632
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.086 min
+MS$FOCUSED_ION: BASE_PEAK 132.958
+MS$FOCUSED_ION: PRECURSOR_M/Z 599.3188
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0002-0000090000-1d8757fbd3c2200d6eba
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  599.3182 C30H43N6O7+ 1 599.3188 -0.9
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  599.3182 469700.8 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC125102.txt b/Eawag/MSBNK-EAWAG-EC125102.txt
new file mode 100644
index 0000000000..2a8202bf8a
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC125102.txt
@@ -0,0 +1,45 @@
+ACCESSION: MSBNK-EAWAG-EC125102
+RECORD_TITLE: Dihydrospumigin M (and isomers); LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], F. Rios Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.toxicon.2015.09.019
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 1251
+CH$NAME: Dihydrospumigin M (and isomers)
+CH$NAME: (2S)-N-((R)-5-guanidino-1-hydroxypentan-2-yl)-1-((2-hydroxy-4-(4-hydroxyphenyl)butanoyl)-D-tyrosyl)pyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C30H42N6O7
+CH$EXACT_MASS: 598.3114977
+CH$SMILES: OC1=CC=C(CCC(O)C(N[C@H](CC2=CC=C(O)C=C2)C(N3[C@H](C(N[C@H](CCCNC(N)=N)CO)=O)CCC3)=O)=O)C=C1
+CH$IUPAC: InChI=1S/C30H42N6O7/c31-30(32)33-15-1-3-21(18-37)34-27(41)25-4-2-16-36(25)29(43)24(17-20-7-12-23(39)13-8-20)35-28(42)26(40)14-9-19-5-10-22(38)11-6-19/h5-8,10-13,21,24-26,37-40H,1-4,9,14-18H2,(H,34,41)(H,35,42)(H4,31,32,33)/t21-,24-,25+,26?/m1/s1
+CH$LINK: PUBCHEM CID:139589789
+CH$LINK: INCHIKEY WKADCTRDFMBYPU-LXRNPWNFSA-N
+CH$LINK: CHEMSPIDER 78439002
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-632
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.086 min
+MS$FOCUSED_ION: BASE_PEAK 132.958
+MS$FOCUSED_ION: PRECURSOR_M/Z 599.3188
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0002-0000090000-678b5f05552275d63214
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  599.3187 C30H43N6O7+ 1 599.3188 -0.19
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  599.3187 436383.2 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC125103.txt b/Eawag/MSBNK-EAWAG-EC125103.txt
new file mode 100644
index 0000000000..705b3a9db7
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC125103.txt
@@ -0,0 +1,47 @@
+ACCESSION: MSBNK-EAWAG-EC125103
+RECORD_TITLE: Dihydrospumigin M (and isomers); LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], F. Rios Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.toxicon.2015.09.019
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 1251
+CH$NAME: Dihydrospumigin M (and isomers)
+CH$NAME: (2S)-N-((R)-5-guanidino-1-hydroxypentan-2-yl)-1-((2-hydroxy-4-(4-hydroxyphenyl)butanoyl)-D-tyrosyl)pyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C30H42N6O7
+CH$EXACT_MASS: 598.3114977
+CH$SMILES: OC1=CC=C(CCC(O)C(N[C@H](CC2=CC=C(O)C=C2)C(N3[C@H](C(N[C@H](CCCNC(N)=N)CO)=O)CCC3)=O)=O)C=C1
+CH$IUPAC: InChI=1S/C30H42N6O7/c31-30(32)33-15-1-3-21(18-37)34-27(41)25-4-2-16-36(25)29(43)24(17-20-7-12-23(39)13-8-20)35-28(42)26(40)14-9-19-5-10-22(38)11-6-19/h5-8,10-13,21,24-26,37-40H,1-4,9,14-18H2,(H,34,41)(H,35,42)(H4,31,32,33)/t21-,24-,25+,26?/m1/s1
+CH$LINK: PUBCHEM CID:139589789
+CH$LINK: INCHIKEY WKADCTRDFMBYPU-LXRNPWNFSA-N
+CH$LINK: CHEMSPIDER 78439002
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-632
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.086 min
+MS$FOCUSED_ION: BASE_PEAK 132.958
+MS$FOCUSED_ION: PRECURSOR_M/Z 599.3188
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0002-0000090000-2d1c4d79a3408724bcdd
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  241.166 C11H21N4O2+ 1 241.1659 0.42
+  599.3184 C30H43N6O7+ 1 599.3188 -0.69
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  241.166 28052.9 85
+  599.3184 325875.6 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC125104.txt b/Eawag/MSBNK-EAWAG-EC125104.txt
new file mode 100644
index 0000000000..394282363a
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC125104.txt
@@ -0,0 +1,47 @@
+ACCESSION: MSBNK-EAWAG-EC125104
+RECORD_TITLE: Dihydrospumigin M (and isomers); LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], F. Rios Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.toxicon.2015.09.019
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 1251
+CH$NAME: Dihydrospumigin M (and isomers)
+CH$NAME: (2S)-N-((R)-5-guanidino-1-hydroxypentan-2-yl)-1-((2-hydroxy-4-(4-hydroxyphenyl)butanoyl)-D-tyrosyl)pyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C30H42N6O7
+CH$EXACT_MASS: 598.3114977
+CH$SMILES: OC1=CC=C(CCC(O)C(N[C@H](CC2=CC=C(O)C=C2)C(N3[C@H](C(N[C@H](CCCNC(N)=N)CO)=O)CCC3)=O)=O)C=C1
+CH$IUPAC: InChI=1S/C30H42N6O7/c31-30(32)33-15-1-3-21(18-37)34-27(41)25-4-2-16-36(25)29(43)24(17-20-7-12-23(39)13-8-20)35-28(42)26(40)14-9-19-5-10-22(38)11-6-19/h5-8,10-13,21,24-26,37-40H,1-4,9,14-18H2,(H,34,41)(H,35,42)(H4,31,32,33)/t21-,24-,25+,26?/m1/s1
+CH$LINK: PUBCHEM CID:139589789
+CH$LINK: INCHIKEY WKADCTRDFMBYPU-LXRNPWNFSA-N
+CH$LINK: CHEMSPIDER 78439002
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-632
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.086 min
+MS$FOCUSED_ION: BASE_PEAK 132.958
+MS$FOCUSED_ION: PRECURSOR_M/Z 599.3188
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0002-0040090000-6691ecf76bc74c9f7612
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  241.1648 C11H21N4O2+ 2 241.1659 -4.77
+  599.3188 C30H43N6O7+ 1 599.3188 0.12
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  241.1648 91016.7 460
+  599.3188 197420.3 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC125105.txt b/Eawag/MSBNK-EAWAG-EC125105.txt
new file mode 100644
index 0000000000..e673f88e20
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC125105.txt
@@ -0,0 +1,55 @@
+ACCESSION: MSBNK-EAWAG-EC125105
+RECORD_TITLE: Dihydrospumigin M (and isomers); LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], F. Rios Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.toxicon.2015.09.019
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 1251
+CH$NAME: Dihydrospumigin M (and isomers)
+CH$NAME: (2S)-N-((R)-5-guanidino-1-hydroxypentan-2-yl)-1-((2-hydroxy-4-(4-hydroxyphenyl)butanoyl)-D-tyrosyl)pyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C30H42N6O7
+CH$EXACT_MASS: 598.3114977
+CH$SMILES: OC1=CC=C(CCC(O)C(N[C@H](CC2=CC=C(O)C=C2)C(N3[C@H](C(N[C@H](CCCNC(N)=N)CO)=O)CCC3)=O)=O)C=C1
+CH$IUPAC: InChI=1S/C30H42N6O7/c31-30(32)33-15-1-3-21(18-37)34-27(41)25-4-2-16-36(25)29(43)24(17-20-7-12-23(39)13-8-20)35-28(42)26(40)14-9-19-5-10-22(38)11-6-19/h5-8,10-13,21,24-26,37-40H,1-4,9,14-18H2,(H,34,41)(H,35,42)(H4,31,32,33)/t21-,24-,25+,26?/m1/s1
+CH$LINK: PUBCHEM CID:139589789
+CH$LINK: INCHIKEY WKADCTRDFMBYPU-LXRNPWNFSA-N
+CH$LINK: CHEMSPIDER 78439002
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-632
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.086 min
+MS$FOCUSED_ION: BASE_PEAK 132.958
+MS$FOCUSED_ION: PRECURSOR_M/Z 599.3188
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00du-5930000000-312e8e565ed9d25bc732
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  70.0651 C4H8N+ 1 70.0651 -0.58
+  102.0912 C5H12NO+ 1 102.0913 -1.28
+  136.0755 C8H10NO+ 1 136.0757 -1.08
+  144.113 C6H14N3O+ 1 144.1131 -0.67
+  155.0813 C7H11N2O2+ 1 155.0815 -1.46
+  241.1654 C11H21N4O2+ 2 241.1659 -2.24
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  70.0651 118992.1 999
+  102.0912 34122.5 286
+  136.0755 97951.7 822
+  144.113 37863.1 317
+  155.0813 21591.7 181
+  241.1654 77529.6 650
+//
diff --git a/Eawag/MSBNK-EAWAG-EC125106.txt b/Eawag/MSBNK-EAWAG-EC125106.txt
new file mode 100644
index 0000000000..b3b7626a55
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC125106.txt
@@ -0,0 +1,51 @@
+ACCESSION: MSBNK-EAWAG-EC125106
+RECORD_TITLE: Dihydrospumigin M (and isomers); LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], F. Rios Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.toxicon.2015.09.019
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 1251
+CH$NAME: Dihydrospumigin M (and isomers)
+CH$NAME: (2S)-N-((R)-5-guanidino-1-hydroxypentan-2-yl)-1-((2-hydroxy-4-(4-hydroxyphenyl)butanoyl)-D-tyrosyl)pyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C30H42N6O7
+CH$EXACT_MASS: 598.3114977
+CH$SMILES: OC1=CC=C(CCC(O)C(N[C@H](CC2=CC=C(O)C=C2)C(N3[C@H](C(N[C@H](CCCNC(N)=N)CO)=O)CCC3)=O)=O)C=C1
+CH$IUPAC: InChI=1S/C30H42N6O7/c31-30(32)33-15-1-3-21(18-37)34-27(41)25-4-2-16-36(25)29(43)24(17-20-7-12-23(39)13-8-20)35-28(42)26(40)14-9-19-5-10-22(38)11-6-19/h5-8,10-13,21,24-26,37-40H,1-4,9,14-18H2,(H,34,41)(H,35,42)(H4,31,32,33)/t21-,24-,25+,26?/m1/s1
+CH$LINK: PUBCHEM CID:139589789
+CH$LINK: INCHIKEY WKADCTRDFMBYPU-LXRNPWNFSA-N
+CH$LINK: CHEMSPIDER 78439002
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-632
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.086 min
+MS$FOCUSED_ION: BASE_PEAK 132.958
+MS$FOCUSED_ION: PRECURSOR_M/Z 599.3188
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0079-5900000000-d7e194800cd950770847
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  70.0651 C4H8N+ 1 70.0651 -0.9
+  136.0752 C8H10NO+ 1 136.0757 -3.43
+  140.0818 C6H10N3O+ 1 140.0818 -0.18
+  144.1128 C6H14N3O+ 1 144.1131 -2.26
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  70.0651 184261.8 744
+  136.0752 247091.7 999
+  140.0818 20842.6 84
+  144.1128 32124 129
+//
diff --git a/Eawag/MSBNK-EAWAG-EC125107.txt b/Eawag/MSBNK-EAWAG-EC125107.txt
new file mode 100644
index 0000000000..b02a99486a
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC125107.txt
@@ -0,0 +1,53 @@
+ACCESSION: MSBNK-EAWAG-EC125107
+RECORD_TITLE: Dihydrospumigin M (and isomers); LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], F. Rios Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.toxicon.2015.09.019
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 1251
+CH$NAME: Dihydrospumigin M (and isomers)
+CH$NAME: (2S)-N-((R)-5-guanidino-1-hydroxypentan-2-yl)-1-((2-hydroxy-4-(4-hydroxyphenyl)butanoyl)-D-tyrosyl)pyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C30H42N6O7
+CH$EXACT_MASS: 598.3114977
+CH$SMILES: OC1=CC=C(CCC(O)C(N[C@H](CC2=CC=C(O)C=C2)C(N3[C@H](C(N[C@H](CCCNC(N)=N)CO)=O)CCC3)=O)=O)C=C1
+CH$IUPAC: InChI=1S/C30H42N6O7/c31-30(32)33-15-1-3-21(18-37)34-27(41)25-4-2-16-36(25)29(43)24(17-20-7-12-23(39)13-8-20)35-28(42)26(40)14-9-19-5-10-22(38)11-6-19/h5-8,10-13,21,24-26,37-40H,1-4,9,14-18H2,(H,34,41)(H,35,42)(H4,31,32,33)/t21-,24-,25+,26?/m1/s1
+CH$LINK: PUBCHEM CID:139589789
+CH$LINK: INCHIKEY WKADCTRDFMBYPU-LXRNPWNFSA-N
+CH$LINK: CHEMSPIDER 78439002
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-632
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.086 min
+MS$FOCUSED_ION: BASE_PEAK 132.958
+MS$FOCUSED_ION: PRECURSOR_M/Z 599.3188
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0079-7900000000-b961e0d71f009b27c906
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  70.0651 C4H8N+ 1 70.0651 -0.58
+  84.0808 C5H10N+ 1 84.0808 0.21
+  102.0911 C5H12NO+ 1 102.0913 -2.32
+  136.0753 C8H10NO+ 1 136.0757 -2.76
+  144.113 C6H14N3O+ 1 144.1131 -1.31
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  70.0651 234108.7 890
+  84.0808 26557.8 101
+  102.0911 34700.7 132
+  136.0753 262610.4 999
+  144.113 25749.4 97
+//
diff --git a/Eawag/MSBNK-EAWAG-EC125108.txt b/Eawag/MSBNK-EAWAG-EC125108.txt
new file mode 100644
index 0000000000..8dbc0fffe2
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC125108.txt
@@ -0,0 +1,57 @@
+ACCESSION: MSBNK-EAWAG-EC125108
+RECORD_TITLE: Dihydrospumigin M (and isomers); LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], F. Rios Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.toxicon.2015.09.019
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 1251
+CH$NAME: Dihydrospumigin M (and isomers)
+CH$NAME: (2S)-N-((R)-5-guanidino-1-hydroxypentan-2-yl)-1-((2-hydroxy-4-(4-hydroxyphenyl)butanoyl)-D-tyrosyl)pyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C30H42N6O7
+CH$EXACT_MASS: 598.3114977
+CH$SMILES: OC1=CC=C(CCC(O)C(N[C@H](CC2=CC=C(O)C=C2)C(N3[C@H](C(N[C@H](CCCNC(N)=N)CO)=O)CCC3)=O)=O)C=C1
+CH$IUPAC: InChI=1S/C30H42N6O7/c31-30(32)33-15-1-3-21(18-37)34-27(41)25-4-2-16-36(25)29(43)24(17-20-7-12-23(39)13-8-20)35-28(42)26(40)14-9-19-5-10-22(38)11-6-19/h5-8,10-13,21,24-26,37-40H,1-4,9,14-18H2,(H,34,41)(H,35,42)(H4,31,32,33)/t21-,24-,25+,26?/m1/s1
+CH$LINK: PUBCHEM CID:139589789
+CH$LINK: INCHIKEY WKADCTRDFMBYPU-LXRNPWNFSA-N
+CH$LINK: CHEMSPIDER 78439002
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-632
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.086 min
+MS$FOCUSED_ION: BASE_PEAK 132.958
+MS$FOCUSED_ION: PRECURSOR_M/Z 599.3188
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00dr-7900000000-a4df4022dffe3c4e0bc2
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  70.0651 C4H8N+ 1 70.0651 -0.58
+  84.0808 C5H10N+ 1 84.0808 0.03
+  91.0544 C7H7+ 1 91.0542 1.46
+  102.0912 C5H12NO+ 1 102.0913 -1.8
+  107.0494 C7H7O+ 1 107.0491 2.79
+  119.0487 C8H7O+ 1 119.0491 -3.45
+  136.0753 C8H10NO+ 1 136.0757 -2.65
+PK$NUM_PEAK: 7
+PK$PEAK: m/z int. rel.int.
+  70.0651 217181.5 999
+  84.0808 25575.6 117
+  91.0544 33876.6 155
+  102.0912 38027.5 174
+  107.0494 24138.7 111
+  119.0487 44932.8 206
+  136.0753 206942.3 951
+//
diff --git a/Eawag/MSBNK-EAWAG-EC125109.txt b/Eawag/MSBNK-EAWAG-EC125109.txt
new file mode 100644
index 0000000000..33d7b33a73
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC125109.txt
@@ -0,0 +1,55 @@
+ACCESSION: MSBNK-EAWAG-EC125109
+RECORD_TITLE: Dihydrospumigin M (and isomers); LC-ESI-QFT; MS2; CE: 80%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], F. Rios Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.toxicon.2015.09.019
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 1251
+CH$NAME: Dihydrospumigin M (and isomers)
+CH$NAME: (2S)-N-((R)-5-guanidino-1-hydroxypentan-2-yl)-1-((2-hydroxy-4-(4-hydroxyphenyl)butanoyl)-D-tyrosyl)pyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C30H42N6O7
+CH$EXACT_MASS: 598.3114977
+CH$SMILES: OC1=CC=C(CCC(O)C(N[C@H](CC2=CC=C(O)C=C2)C(N3[C@H](C(N[C@H](CCCNC(N)=N)CO)=O)CCC3)=O)=O)C=C1
+CH$IUPAC: InChI=1S/C30H42N6O7/c31-30(32)33-15-1-3-21(18-37)34-27(41)25-4-2-16-36(25)29(43)24(17-20-7-12-23(39)13-8-20)35-28(42)26(40)14-9-19-5-10-22(38)11-6-19/h5-8,10-13,21,24-26,37-40H,1-4,9,14-18H2,(H,34,41)(H,35,42)(H4,31,32,33)/t21-,24-,25+,26?/m1/s1
+CH$LINK: PUBCHEM CID:139589789
+CH$LINK: INCHIKEY WKADCTRDFMBYPU-LXRNPWNFSA-N
+CH$LINK: CHEMSPIDER 78439002
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-632
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.086 min
+MS$FOCUSED_ION: BASE_PEAK 132.958
+MS$FOCUSED_ION: PRECURSOR_M/Z 599.3188
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00dr-9700000000-257e8f70a93fd810b2ca
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  70.0651 C4H8N+ 1 70.0651 -0.9
+  91.0542 C7H7+ 1 91.0542 -0.63
+  102.0916 C5H12NO+ 1 102.0913 2.68
+  107.049 C7H7O+ 1 107.0491 -1.49
+  119.0491 C8H7O+ 1 119.0491 -0.25
+  136.0753 C8H10NO+ 1 136.0757 -3.21
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  70.0651 221502.1 999
+  91.0542 77855.9 351
+  102.0916 20547.4 92
+  107.049 37572.1 169
+  119.0491 58592.5 264
+  136.0753 134910.4 608
+//
diff --git a/Eawag/MSBNK-EAWAG-EC125201.txt b/Eawag/MSBNK-EAWAG-EC125201.txt
new file mode 100644
index 0000000000..695aa56f52
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC125201.txt
@@ -0,0 +1,45 @@
+ACCESSION: MSBNK-EAWAG-EC125201
+RECORD_TITLE: Dihydrospumigin N (and isomers); LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], F. Rios Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1093/femsec/fiaa243
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 1252
+CH$NAME: Dihydrospumigin N (and isomers)
+CH$NAME: (2S)-N-((S)-5-guanidino-1-hydroxypentan-2-yl)-1-((2-hydroxy-4-(4-hydroxyphenyl)butanoyl)-D-tyrosyl)pyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C30H42N6O7
+CH$EXACT_MASS: 598.3114977
+CH$SMILES: OC1=CC=C(CCC(O)C(N[C@H](CC2=CC=C(O)C=C2)C(N3[C@H](C(N[C@@H](CCCNC(N)=N)CO)=O)CCC3)=O)=O)C=C1
+CH$IUPAC: InChI=1S/C30H42N6O7/c31-30(32)33-15-1-3-21(18-37)34-27(41)25-4-2-16-36(25)29(43)24(17-20-7-12-23(39)13-8-20)35-28(42)26(40)14-9-19-5-10-22(38)11-6-19/h5-8,10-13,21,24-26,37-40H,1-4,9,14-18H2,(H,34,41)(H,35,42)(H4,31,32,33)/t21-,24+,25-,26?/m0/s1
+CH$LINK: PUBCHEM CID:145974544
+CH$LINK: INCHIKEY WKADCTRDFMBYPU-FDHYGZKMSA-N
+CH$LINK: CHEMSPIDER 90658208
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-632
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.086 min
+MS$FOCUSED_ION: BASE_PEAK 132.958
+MS$FOCUSED_ION: PRECURSOR_M/Z 599.3188
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0002-0000090000-1d8757fbd3c2200d6eba
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  599.3182 C30H43N6O7+ 1 599.3188 -0.9
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  599.3182 469700.8 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC125202.txt b/Eawag/MSBNK-EAWAG-EC125202.txt
new file mode 100644
index 0000000000..39a23b4dd0
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC125202.txt
@@ -0,0 +1,45 @@
+ACCESSION: MSBNK-EAWAG-EC125202
+RECORD_TITLE: Dihydrospumigin N (and isomers); LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], F. Rios Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1093/femsec/fiaa243
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 1252
+CH$NAME: Dihydrospumigin N (and isomers)
+CH$NAME: (2S)-N-((S)-5-guanidino-1-hydroxypentan-2-yl)-1-((2-hydroxy-4-(4-hydroxyphenyl)butanoyl)-D-tyrosyl)pyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C30H42N6O7
+CH$EXACT_MASS: 598.3114977
+CH$SMILES: OC1=CC=C(CCC(O)C(N[C@H](CC2=CC=C(O)C=C2)C(N3[C@H](C(N[C@@H](CCCNC(N)=N)CO)=O)CCC3)=O)=O)C=C1
+CH$IUPAC: InChI=1S/C30H42N6O7/c31-30(32)33-15-1-3-21(18-37)34-27(41)25-4-2-16-36(25)29(43)24(17-20-7-12-23(39)13-8-20)35-28(42)26(40)14-9-19-5-10-22(38)11-6-19/h5-8,10-13,21,24-26,37-40H,1-4,9,14-18H2,(H,34,41)(H,35,42)(H4,31,32,33)/t21-,24+,25-,26?/m0/s1
+CH$LINK: PUBCHEM CID:145974544
+CH$LINK: INCHIKEY WKADCTRDFMBYPU-FDHYGZKMSA-N
+CH$LINK: CHEMSPIDER 90658208
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-632
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.086 min
+MS$FOCUSED_ION: BASE_PEAK 132.958
+MS$FOCUSED_ION: PRECURSOR_M/Z 599.3188
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0002-0000090000-678b5f05552275d63214
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  599.3187 C30H43N6O7+ 1 599.3188 -0.19
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  599.3187 436383.2 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC125203.txt b/Eawag/MSBNK-EAWAG-EC125203.txt
new file mode 100644
index 0000000000..8f74b6a03a
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC125203.txt
@@ -0,0 +1,47 @@
+ACCESSION: MSBNK-EAWAG-EC125203
+RECORD_TITLE: Dihydrospumigin N (and isomers); LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], F. Rios Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1093/femsec/fiaa243
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 1252
+CH$NAME: Dihydrospumigin N (and isomers)
+CH$NAME: (2S)-N-((S)-5-guanidino-1-hydroxypentan-2-yl)-1-((2-hydroxy-4-(4-hydroxyphenyl)butanoyl)-D-tyrosyl)pyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C30H42N6O7
+CH$EXACT_MASS: 598.3114977
+CH$SMILES: OC1=CC=C(CCC(O)C(N[C@H](CC2=CC=C(O)C=C2)C(N3[C@H](C(N[C@@H](CCCNC(N)=N)CO)=O)CCC3)=O)=O)C=C1
+CH$IUPAC: InChI=1S/C30H42N6O7/c31-30(32)33-15-1-3-21(18-37)34-27(41)25-4-2-16-36(25)29(43)24(17-20-7-12-23(39)13-8-20)35-28(42)26(40)14-9-19-5-10-22(38)11-6-19/h5-8,10-13,21,24-26,37-40H,1-4,9,14-18H2,(H,34,41)(H,35,42)(H4,31,32,33)/t21-,24+,25-,26?/m0/s1
+CH$LINK: PUBCHEM CID:145974544
+CH$LINK: INCHIKEY WKADCTRDFMBYPU-FDHYGZKMSA-N
+CH$LINK: CHEMSPIDER 90658208
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-632
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.086 min
+MS$FOCUSED_ION: BASE_PEAK 132.958
+MS$FOCUSED_ION: PRECURSOR_M/Z 599.3188
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0002-0000090000-2d1c4d79a3408724bcdd
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  241.166 C11H21N4O2+ 1 241.1659 0.42
+  599.3184 C30H43N6O7+ 1 599.3188 -0.69
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  241.166 28052.9 85
+  599.3184 325875.6 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC125204.txt b/Eawag/MSBNK-EAWAG-EC125204.txt
new file mode 100644
index 0000000000..d99381a477
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC125204.txt
@@ -0,0 +1,47 @@
+ACCESSION: MSBNK-EAWAG-EC125204
+RECORD_TITLE: Dihydrospumigin N (and isomers); LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], F. Rios Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1093/femsec/fiaa243
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 1252
+CH$NAME: Dihydrospumigin N (and isomers)
+CH$NAME: (2S)-N-((S)-5-guanidino-1-hydroxypentan-2-yl)-1-((2-hydroxy-4-(4-hydroxyphenyl)butanoyl)-D-tyrosyl)pyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C30H42N6O7
+CH$EXACT_MASS: 598.3114977
+CH$SMILES: OC1=CC=C(CCC(O)C(N[C@H](CC2=CC=C(O)C=C2)C(N3[C@H](C(N[C@@H](CCCNC(N)=N)CO)=O)CCC3)=O)=O)C=C1
+CH$IUPAC: InChI=1S/C30H42N6O7/c31-30(32)33-15-1-3-21(18-37)34-27(41)25-4-2-16-36(25)29(43)24(17-20-7-12-23(39)13-8-20)35-28(42)26(40)14-9-19-5-10-22(38)11-6-19/h5-8,10-13,21,24-26,37-40H,1-4,9,14-18H2,(H,34,41)(H,35,42)(H4,31,32,33)/t21-,24+,25-,26?/m0/s1
+CH$LINK: PUBCHEM CID:145974544
+CH$LINK: INCHIKEY WKADCTRDFMBYPU-FDHYGZKMSA-N
+CH$LINK: CHEMSPIDER 90658208
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-632
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.086 min
+MS$FOCUSED_ION: BASE_PEAK 132.958
+MS$FOCUSED_ION: PRECURSOR_M/Z 599.3188
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0002-0040090000-6691ecf76bc74c9f7612
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  241.1648 C11H21N4O2+ 2 241.1659 -4.77
+  599.3188 C30H43N6O7+ 1 599.3188 0.12
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  241.1648 91016.7 460
+  599.3188 197420.3 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC125205.txt b/Eawag/MSBNK-EAWAG-EC125205.txt
new file mode 100644
index 0000000000..4cc6998e9e
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC125205.txt
@@ -0,0 +1,55 @@
+ACCESSION: MSBNK-EAWAG-EC125205
+RECORD_TITLE: Dihydrospumigin N (and isomers); LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], F. Rios Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1093/femsec/fiaa243
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 1252
+CH$NAME: Dihydrospumigin N (and isomers)
+CH$NAME: (2S)-N-((S)-5-guanidino-1-hydroxypentan-2-yl)-1-((2-hydroxy-4-(4-hydroxyphenyl)butanoyl)-D-tyrosyl)pyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C30H42N6O7
+CH$EXACT_MASS: 598.3114977
+CH$SMILES: OC1=CC=C(CCC(O)C(N[C@H](CC2=CC=C(O)C=C2)C(N3[C@H](C(N[C@@H](CCCNC(N)=N)CO)=O)CCC3)=O)=O)C=C1
+CH$IUPAC: InChI=1S/C30H42N6O7/c31-30(32)33-15-1-3-21(18-37)34-27(41)25-4-2-16-36(25)29(43)24(17-20-7-12-23(39)13-8-20)35-28(42)26(40)14-9-19-5-10-22(38)11-6-19/h5-8,10-13,21,24-26,37-40H,1-4,9,14-18H2,(H,34,41)(H,35,42)(H4,31,32,33)/t21-,24+,25-,26?/m0/s1
+CH$LINK: PUBCHEM CID:145974544
+CH$LINK: INCHIKEY WKADCTRDFMBYPU-FDHYGZKMSA-N
+CH$LINK: CHEMSPIDER 90658208
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-632
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.086 min
+MS$FOCUSED_ION: BASE_PEAK 132.958
+MS$FOCUSED_ION: PRECURSOR_M/Z 599.3188
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00du-5930000000-312e8e565ed9d25bc732
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  70.0651 C4H8N+ 1 70.0651 -0.58
+  102.0912 C5H12NO+ 1 102.0913 -1.28
+  136.0755 C8H10NO+ 1 136.0757 -1.08
+  144.113 C6H14N3O+ 1 144.1131 -0.67
+  155.0813 C7H11N2O2+ 1 155.0815 -1.46
+  241.1654 C11H21N4O2+ 2 241.1659 -2.24
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  70.0651 118992.1 999
+  102.0912 34122.5 286
+  136.0755 97951.7 822
+  144.113 37863.1 317
+  155.0813 21591.7 181
+  241.1654 77529.6 650
+//
diff --git a/Eawag/MSBNK-EAWAG-EC125206.txt b/Eawag/MSBNK-EAWAG-EC125206.txt
new file mode 100644
index 0000000000..70a6b14d0d
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC125206.txt
@@ -0,0 +1,51 @@
+ACCESSION: MSBNK-EAWAG-EC125206
+RECORD_TITLE: Dihydrospumigin N (and isomers); LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], F. Rios Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1093/femsec/fiaa243
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 1252
+CH$NAME: Dihydrospumigin N (and isomers)
+CH$NAME: (2S)-N-((S)-5-guanidino-1-hydroxypentan-2-yl)-1-((2-hydroxy-4-(4-hydroxyphenyl)butanoyl)-D-tyrosyl)pyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C30H42N6O7
+CH$EXACT_MASS: 598.3114977
+CH$SMILES: OC1=CC=C(CCC(O)C(N[C@H](CC2=CC=C(O)C=C2)C(N3[C@H](C(N[C@@H](CCCNC(N)=N)CO)=O)CCC3)=O)=O)C=C1
+CH$IUPAC: InChI=1S/C30H42N6O7/c31-30(32)33-15-1-3-21(18-37)34-27(41)25-4-2-16-36(25)29(43)24(17-20-7-12-23(39)13-8-20)35-28(42)26(40)14-9-19-5-10-22(38)11-6-19/h5-8,10-13,21,24-26,37-40H,1-4,9,14-18H2,(H,34,41)(H,35,42)(H4,31,32,33)/t21-,24+,25-,26?/m0/s1
+CH$LINK: PUBCHEM CID:145974544
+CH$LINK: INCHIKEY WKADCTRDFMBYPU-FDHYGZKMSA-N
+CH$LINK: CHEMSPIDER 90658208
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-632
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.086 min
+MS$FOCUSED_ION: BASE_PEAK 132.958
+MS$FOCUSED_ION: PRECURSOR_M/Z 599.3188
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0079-5900000000-d7e194800cd950770847
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  70.0651 C4H8N+ 1 70.0651 -0.9
+  136.0752 C8H10NO+ 1 136.0757 -3.43
+  140.0818 C6H10N3O+ 1 140.0818 -0.18
+  144.1128 C6H14N3O+ 1 144.1131 -2.26
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  70.0651 184261.8 744
+  136.0752 247091.7 999
+  140.0818 20842.6 84
+  144.1128 32124 129
+//
diff --git a/Eawag/MSBNK-EAWAG-EC125207.txt b/Eawag/MSBNK-EAWAG-EC125207.txt
new file mode 100644
index 0000000000..6191717a0d
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC125207.txt
@@ -0,0 +1,53 @@
+ACCESSION: MSBNK-EAWAG-EC125207
+RECORD_TITLE: Dihydrospumigin N (and isomers); LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], F. Rios Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1093/femsec/fiaa243
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 1252
+CH$NAME: Dihydrospumigin N (and isomers)
+CH$NAME: (2S)-N-((S)-5-guanidino-1-hydroxypentan-2-yl)-1-((2-hydroxy-4-(4-hydroxyphenyl)butanoyl)-D-tyrosyl)pyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C30H42N6O7
+CH$EXACT_MASS: 598.3114977
+CH$SMILES: OC1=CC=C(CCC(O)C(N[C@H](CC2=CC=C(O)C=C2)C(N3[C@H](C(N[C@@H](CCCNC(N)=N)CO)=O)CCC3)=O)=O)C=C1
+CH$IUPAC: InChI=1S/C30H42N6O7/c31-30(32)33-15-1-3-21(18-37)34-27(41)25-4-2-16-36(25)29(43)24(17-20-7-12-23(39)13-8-20)35-28(42)26(40)14-9-19-5-10-22(38)11-6-19/h5-8,10-13,21,24-26,37-40H,1-4,9,14-18H2,(H,34,41)(H,35,42)(H4,31,32,33)/t21-,24+,25-,26?/m0/s1
+CH$LINK: PUBCHEM CID:145974544
+CH$LINK: INCHIKEY WKADCTRDFMBYPU-FDHYGZKMSA-N
+CH$LINK: CHEMSPIDER 90658208
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-632
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.086 min
+MS$FOCUSED_ION: BASE_PEAK 132.958
+MS$FOCUSED_ION: PRECURSOR_M/Z 599.3188
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0079-7900000000-b961e0d71f009b27c906
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  70.0651 C4H8N+ 1 70.0651 -0.58
+  84.0808 C5H10N+ 1 84.0808 0.21
+  102.0911 C5H12NO+ 1 102.0913 -2.32
+  136.0753 C8H10NO+ 1 136.0757 -2.76
+  144.113 C6H14N3O+ 1 144.1131 -1.31
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  70.0651 234108.7 890
+  84.0808 26557.8 101
+  102.0911 34700.7 132
+  136.0753 262610.4 999
+  144.113 25749.4 97
+//
diff --git a/Eawag/MSBNK-EAWAG-EC125208.txt b/Eawag/MSBNK-EAWAG-EC125208.txt
new file mode 100644
index 0000000000..906de9481b
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC125208.txt
@@ -0,0 +1,57 @@
+ACCESSION: MSBNK-EAWAG-EC125208
+RECORD_TITLE: Dihydrospumigin N (and isomers); LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], F. Rios Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1093/femsec/fiaa243
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 1252
+CH$NAME: Dihydrospumigin N (and isomers)
+CH$NAME: (2S)-N-((S)-5-guanidino-1-hydroxypentan-2-yl)-1-((2-hydroxy-4-(4-hydroxyphenyl)butanoyl)-D-tyrosyl)pyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C30H42N6O7
+CH$EXACT_MASS: 598.3114977
+CH$SMILES: OC1=CC=C(CCC(O)C(N[C@H](CC2=CC=C(O)C=C2)C(N3[C@H](C(N[C@@H](CCCNC(N)=N)CO)=O)CCC3)=O)=O)C=C1
+CH$IUPAC: InChI=1S/C30H42N6O7/c31-30(32)33-15-1-3-21(18-37)34-27(41)25-4-2-16-36(25)29(43)24(17-20-7-12-23(39)13-8-20)35-28(42)26(40)14-9-19-5-10-22(38)11-6-19/h5-8,10-13,21,24-26,37-40H,1-4,9,14-18H2,(H,34,41)(H,35,42)(H4,31,32,33)/t21-,24+,25-,26?/m0/s1
+CH$LINK: PUBCHEM CID:145974544
+CH$LINK: INCHIKEY WKADCTRDFMBYPU-FDHYGZKMSA-N
+CH$LINK: CHEMSPIDER 90658208
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-632
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.086 min
+MS$FOCUSED_ION: BASE_PEAK 132.958
+MS$FOCUSED_ION: PRECURSOR_M/Z 599.3188
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00dr-7900000000-a4df4022dffe3c4e0bc2
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  70.0651 C4H8N+ 1 70.0651 -0.58
+  84.0808 C5H10N+ 1 84.0808 0.03
+  91.0544 C7H7+ 1 91.0542 1.46
+  102.0912 C5H12NO+ 1 102.0913 -1.8
+  107.0494 C7H7O+ 1 107.0491 2.79
+  119.0487 C8H7O+ 1 119.0491 -3.45
+  136.0753 C8H10NO+ 1 136.0757 -2.65
+PK$NUM_PEAK: 7
+PK$PEAK: m/z int. rel.int.
+  70.0651 217181.5 999
+  84.0808 25575.6 117
+  91.0544 33876.6 155
+  102.0912 38027.5 174
+  107.0494 24138.7 111
+  119.0487 44932.8 206
+  136.0753 206942.3 951
+//
diff --git a/Eawag/MSBNK-EAWAG-EC125209.txt b/Eawag/MSBNK-EAWAG-EC125209.txt
new file mode 100644
index 0000000000..822c30b341
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC125209.txt
@@ -0,0 +1,55 @@
+ACCESSION: MSBNK-EAWAG-EC125209
+RECORD_TITLE: Dihydrospumigin N (and isomers); LC-ESI-QFT; MS2; CE: 80%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], F. Rios Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1093/femsec/fiaa243
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 1252
+CH$NAME: Dihydrospumigin N (and isomers)
+CH$NAME: (2S)-N-((S)-5-guanidino-1-hydroxypentan-2-yl)-1-((2-hydroxy-4-(4-hydroxyphenyl)butanoyl)-D-tyrosyl)pyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C30H42N6O7
+CH$EXACT_MASS: 598.3114977
+CH$SMILES: OC1=CC=C(CCC(O)C(N[C@H](CC2=CC=C(O)C=C2)C(N3[C@H](C(N[C@@H](CCCNC(N)=N)CO)=O)CCC3)=O)=O)C=C1
+CH$IUPAC: InChI=1S/C30H42N6O7/c31-30(32)33-15-1-3-21(18-37)34-27(41)25-4-2-16-36(25)29(43)24(17-20-7-12-23(39)13-8-20)35-28(42)26(40)14-9-19-5-10-22(38)11-6-19/h5-8,10-13,21,24-26,37-40H,1-4,9,14-18H2,(H,34,41)(H,35,42)(H4,31,32,33)/t21-,24+,25-,26?/m0/s1
+CH$LINK: PUBCHEM CID:145974544
+CH$LINK: INCHIKEY WKADCTRDFMBYPU-FDHYGZKMSA-N
+CH$LINK: CHEMSPIDER 90658208
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-632
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.086 min
+MS$FOCUSED_ION: BASE_PEAK 132.958
+MS$FOCUSED_ION: PRECURSOR_M/Z 599.3188
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00dr-9700000000-257e8f70a93fd810b2ca
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  70.0651 C4H8N+ 1 70.0651 -0.9
+  91.0542 C7H7+ 1 91.0542 -0.63
+  102.0916 C5H12NO+ 1 102.0913 2.68
+  107.049 C7H7O+ 1 107.0491 -1.49
+  119.0491 C8H7O+ 1 119.0491 -0.25
+  136.0753 C8H10NO+ 1 136.0757 -3.21
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  70.0651 221502.1 999
+  91.0542 77855.9 351
+  102.0916 20547.4 92
+  107.049 37572.1 169
+  119.0491 58592.5 264
+  136.0753 134910.4 608
+//
diff --git a/Eawag/MSBNK-EAWAG-EC125601.txt b/Eawag/MSBNK-EAWAG-EC125601.txt
new file mode 100644
index 0000000000..e0915db424
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC125601.txt
@@ -0,0 +1,49 @@
+ACCESSION: MSBNK-EAWAG-EC125601
+RECORD_TITLE: Spumigin F; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1111/j.1365-2958.2009.06816.x
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1256
+CH$NAME: Spumigin F
+CH$NAME: (2S)-N-(5-guanidino-1-oxopentan-2-yl)-1-((R)-2-((R)-2-hydroxy-3-(4-hydroxyphenyl)propanamido)-4-(4-hydroxyphenyl)butanoyl)pyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C30H40N6O7
+CH$EXACT_MASS: 596.2958476
+CH$SMILES: OC1=CC=C(C[C@@H](O)C(N[C@@H](C(N2[C@H](C(NC(CCCNC(N)=N)C=O)=O)CCC2)=O)CCC3=CC=C(O)C=C3)=O)C=C1
+CH$IUPAC: InChI=1S/C30H40N6O7/c31-30(32)33-15-1-3-21(18-37)34-27(41)25-4-2-16-36(25)29(43)24(14-9-19-5-10-22(38)11-6-19)35-28(42)26(40)17-20-7-12-23(39)13-8-20/h5-8,10-13,18,21,24-26,38-40H,1-4,9,14-17H2,(H,34,41)(H,35,42)(H4,31,32,33)/t21?,24-,25+,26-/m1/s1
+CH$LINK: PUBCHEM CID:139588807
+CH$LINK: INCHIKEY ZSNZKFBMFHDMOM-TUJAQADMSA-N
+CH$LINK: CHEMSPIDER 64868962
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-630
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.352 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 597.3031
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-002b-0000090000-e4871d9c4a2d8bd953ba
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  537.2705 C29H37N4O6+ 1 537.2708 -0.44
+  579.2928 C30H39N6O6+ 1 579.2926 0.35
+  597.3033 C30H41N6O7+ 1 597.3031 0.35
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  537.2705 46237.6 123
+  579.2928 299889 798
+  597.3033 375269.2 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC125602.txt b/Eawag/MSBNK-EAWAG-EC125602.txt
new file mode 100644
index 0000000000..fbdda775e3
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC125602.txt
@@ -0,0 +1,47 @@
+ACCESSION: MSBNK-EAWAG-EC125602
+RECORD_TITLE: Spumigin F; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1111/j.1365-2958.2009.06816.x
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1256
+CH$NAME: Spumigin F
+CH$NAME: (2S)-N-(5-guanidino-1-oxopentan-2-yl)-1-((R)-2-((R)-2-hydroxy-3-(4-hydroxyphenyl)propanamido)-4-(4-hydroxyphenyl)butanoyl)pyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C30H40N6O7
+CH$EXACT_MASS: 596.2958476
+CH$SMILES: OC1=CC=C(C[C@@H](O)C(N[C@@H](C(N2[C@H](C(NC(CCCNC(N)=N)C=O)=O)CCC2)=O)CCC3=CC=C(O)C=C3)=O)C=C1
+CH$IUPAC: InChI=1S/C30H40N6O7/c31-30(32)33-15-1-3-21(18-37)34-27(41)25-4-2-16-36(25)29(43)24(14-9-19-5-10-22(38)11-6-19)35-28(42)26(40)17-20-7-12-23(39)13-8-20/h5-8,10-13,18,21,24-26,38-40H,1-4,9,14-17H2,(H,34,41)(H,35,42)(H4,31,32,33)/t21?,24-,25+,26-/m1/s1
+CH$LINK: PUBCHEM CID:139588807
+CH$LINK: INCHIKEY ZSNZKFBMFHDMOM-TUJAQADMSA-N
+CH$LINK: CHEMSPIDER 64868962
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-630
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.352 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 597.3031
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-004j-0000090000-4d5a62c26a326127b7c1
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  579.2927 C30H39N6O6+ 1 579.2926 0.25
+  597.3036 C30H41N6O7+ 1 597.3031 0.75
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  579.2927 377007.9 999
+  597.3036 223641.4 592
+//
diff --git a/Eawag/MSBNK-EAWAG-EC125603.txt b/Eawag/MSBNK-EAWAG-EC125603.txt
new file mode 100644
index 0000000000..4050f51a51
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC125603.txt
@@ -0,0 +1,51 @@
+ACCESSION: MSBNK-EAWAG-EC125603
+RECORD_TITLE: Spumigin F; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1111/j.1365-2958.2009.06816.x
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1256
+CH$NAME: Spumigin F
+CH$NAME: (2S)-N-(5-guanidino-1-oxopentan-2-yl)-1-((R)-2-((R)-2-hydroxy-3-(4-hydroxyphenyl)propanamido)-4-(4-hydroxyphenyl)butanoyl)pyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C30H40N6O7
+CH$EXACT_MASS: 596.2958476
+CH$SMILES: OC1=CC=C(C[C@@H](O)C(N[C@@H](C(N2[C@H](C(NC(CCCNC(N)=N)C=O)=O)CCC2)=O)CCC3=CC=C(O)C=C3)=O)C=C1
+CH$IUPAC: InChI=1S/C30H40N6O7/c31-30(32)33-15-1-3-21(18-37)34-27(41)25-4-2-16-36(25)29(43)24(14-9-19-5-10-22(38)11-6-19)35-28(42)26(40)17-20-7-12-23(39)13-8-20/h5-8,10-13,18,21,24-26,38-40H,1-4,9,14-17H2,(H,34,41)(H,35,42)(H4,31,32,33)/t21?,24-,25+,26-/m1/s1
+CH$LINK: PUBCHEM CID:139588807
+CH$LINK: INCHIKEY ZSNZKFBMFHDMOM-TUJAQADMSA-N
+CH$LINK: CHEMSPIDER 64868962
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-630
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.352 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 597.3031
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-004j-0000090000-92b3d5b34b0428bb3b71
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  196.1439 C10H18N3O+ 2 196.1444 -2.67
+  537.2702 C29H37N4O6+ 1 537.2708 -1.01
+  579.2929 C30H39N6O6+ 1 579.2926 0.67
+  597.3041 C30H41N6O7+ 1 597.3031 1.57
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  196.1439 48452.3 164
+  537.2702 87059.8 295
+  579.2929 294286.3 999
+  597.3041 118059.4 400
+//
diff --git a/Eawag/MSBNK-EAWAG-EC125604.txt b/Eawag/MSBNK-EAWAG-EC125604.txt
new file mode 100644
index 0000000000..437996a4ab
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC125604.txt
@@ -0,0 +1,51 @@
+ACCESSION: MSBNK-EAWAG-EC125604
+RECORD_TITLE: Spumigin F; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1111/j.1365-2958.2009.06816.x
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1256
+CH$NAME: Spumigin F
+CH$NAME: (2S)-N-(5-guanidino-1-oxopentan-2-yl)-1-((R)-2-((R)-2-hydroxy-3-(4-hydroxyphenyl)propanamido)-4-(4-hydroxyphenyl)butanoyl)pyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C30H40N6O7
+CH$EXACT_MASS: 596.2958476
+CH$SMILES: OC1=CC=C(C[C@@H](O)C(N[C@@H](C(N2[C@H](C(NC(CCCNC(N)=N)C=O)=O)CCC2)=O)CCC3=CC=C(O)C=C3)=O)C=C1
+CH$IUPAC: InChI=1S/C30H40N6O7/c31-30(32)33-15-1-3-21(18-37)34-27(41)25-4-2-16-36(25)29(43)24(14-9-19-5-10-22(38)11-6-19)35-28(42)26(40)17-20-7-12-23(39)13-8-20/h5-8,10-13,18,21,24-26,38-40H,1-4,9,14-17H2,(H,34,41)(H,35,42)(H4,31,32,33)/t21?,24-,25+,26-/m1/s1
+CH$LINK: PUBCHEM CID:139588807
+CH$LINK: INCHIKEY ZSNZKFBMFHDMOM-TUJAQADMSA-N
+CH$LINK: CHEMSPIDER 64868962
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-630
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.352 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 597.3031
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-004j-2700090000-547e5b9a224b236391f5
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  70.0651 C4H8N+ 1 70.0651 -0.19
+  151.123 C9H15N2+ 1 151.123 0.46
+  196.1444 C10H18N3O+ 1 196.1444 -0.11
+  579.2928 C30H39N6O6+ 1 579.2926 0.35
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  70.0651 59463.3 280
+  151.123 34512.8 162
+  196.1444 149260 704
+  579.2928 211639 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC125605.txt b/Eawag/MSBNK-EAWAG-EC125605.txt
new file mode 100644
index 0000000000..6983d0a51c
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC125605.txt
@@ -0,0 +1,51 @@
+ACCESSION: MSBNK-EAWAG-EC125605
+RECORD_TITLE: Spumigin F; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1111/j.1365-2958.2009.06816.x
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1256
+CH$NAME: Spumigin F
+CH$NAME: (2S)-N-(5-guanidino-1-oxopentan-2-yl)-1-((R)-2-((R)-2-hydroxy-3-(4-hydroxyphenyl)propanamido)-4-(4-hydroxyphenyl)butanoyl)pyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C30H40N6O7
+CH$EXACT_MASS: 596.2958476
+CH$SMILES: OC1=CC=C(C[C@@H](O)C(N[C@@H](C(N2[C@H](C(NC(CCCNC(N)=N)C=O)=O)CCC2)=O)CCC3=CC=C(O)C=C3)=O)C=C1
+CH$IUPAC: InChI=1S/C30H40N6O7/c31-30(32)33-15-1-3-21(18-37)34-27(41)25-4-2-16-36(25)29(43)24(14-9-19-5-10-22(38)11-6-19)35-28(42)26(40)17-20-7-12-23(39)13-8-20/h5-8,10-13,18,21,24-26,38-40H,1-4,9,14-17H2,(H,34,41)(H,35,42)(H4,31,32,33)/t21?,24-,25+,26-/m1/s1
+CH$LINK: PUBCHEM CID:139588807
+CH$LINK: INCHIKEY ZSNZKFBMFHDMOM-TUJAQADMSA-N
+CH$LINK: CHEMSPIDER 64868962
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-630
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.352 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 597.3031
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0fka-6900000000-374b8f19b5f79fb652ea
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  70.0651 C4H8N+ 1 70.0651 -0.08
+  151.123 C9H15N2+ 1 151.123 -0.04
+  182.0811 C9H12NO3+ 1 182.0812 -0.36
+  196.1445 C10H18N3O+ 1 196.1444 0.13
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  70.0651 217693.3 999
+  151.123 128964.4 591
+  182.0811 43493.7 199
+  196.1445 134365 616
+//
diff --git a/Eawag/MSBNK-EAWAG-EC125606.txt b/Eawag/MSBNK-EAWAG-EC125606.txt
new file mode 100644
index 0000000000..8c0752dd58
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC125606.txt
@@ -0,0 +1,55 @@
+ACCESSION: MSBNK-EAWAG-EC125606
+RECORD_TITLE: Spumigin F; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1111/j.1365-2958.2009.06816.x
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1256
+CH$NAME: Spumigin F
+CH$NAME: (2S)-N-(5-guanidino-1-oxopentan-2-yl)-1-((R)-2-((R)-2-hydroxy-3-(4-hydroxyphenyl)propanamido)-4-(4-hydroxyphenyl)butanoyl)pyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C30H40N6O7
+CH$EXACT_MASS: 596.2958476
+CH$SMILES: OC1=CC=C(C[C@@H](O)C(N[C@@H](C(N2[C@H](C(NC(CCCNC(N)=N)C=O)=O)CCC2)=O)CCC3=CC=C(O)C=C3)=O)C=C1
+CH$IUPAC: InChI=1S/C30H40N6O7/c31-30(32)33-15-1-3-21(18-37)34-27(41)25-4-2-16-36(25)29(43)24(14-9-19-5-10-22(38)11-6-19)35-28(42)26(40)17-20-7-12-23(39)13-8-20/h5-8,10-13,18,21,24-26,38-40H,1-4,9,14-17H2,(H,34,41)(H,35,42)(H4,31,32,33)/t21?,24-,25+,26-/m1/s1
+CH$LINK: PUBCHEM CID:139588807
+CH$LINK: INCHIKEY ZSNZKFBMFHDMOM-TUJAQADMSA-N
+CH$LINK: CHEMSPIDER 64868962
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-630
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.352 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 597.3031
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0fk9-7900000000-21d36cf0f0abeb322d11
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  70.0652 C4H8N+ 1 70.0651 0.68
+  107.0491 C7H7O+ 1 107.0491 -0.38
+  133.0647 C9H9O+ 1 133.0648 -0.42
+  151.1227 C9H15N2+ 1 151.123 -1.56
+  179.1179 C10H15N2O+ 1 179.1179 -0.14
+  196.1448 C10H18N3O+ 1 196.1444 1.76
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  70.0652 259682 999
+  107.0491 83469.8 321
+  133.0647 44952.8 172
+  151.1227 130377.1 501
+  179.1179 26061.1 100
+  196.1448 40990 157
+//
diff --git a/Eawag/MSBNK-EAWAG-EC125607.txt b/Eawag/MSBNK-EAWAG-EC125607.txt
new file mode 100644
index 0000000000..0b08ac3975
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC125607.txt
@@ -0,0 +1,49 @@
+ACCESSION: MSBNK-EAWAG-EC125607
+RECORD_TITLE: Spumigin F; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1111/j.1365-2958.2009.06816.x
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1256
+CH$NAME: Spumigin F
+CH$NAME: (2S)-N-(5-guanidino-1-oxopentan-2-yl)-1-((R)-2-((R)-2-hydroxy-3-(4-hydroxyphenyl)propanamido)-4-(4-hydroxyphenyl)butanoyl)pyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C30H40N6O7
+CH$EXACT_MASS: 596.2958476
+CH$SMILES: OC1=CC=C(C[C@@H](O)C(N[C@@H](C(N2[C@H](C(NC(CCCNC(N)=N)C=O)=O)CCC2)=O)CCC3=CC=C(O)C=C3)=O)C=C1
+CH$IUPAC: InChI=1S/C30H40N6O7/c31-30(32)33-15-1-3-21(18-37)34-27(41)25-4-2-16-36(25)29(43)24(14-9-19-5-10-22(38)11-6-19)35-28(42)26(40)17-20-7-12-23(39)13-8-20/h5-8,10-13,18,21,24-26,38-40H,1-4,9,14-17H2,(H,34,41)(H,35,42)(H4,31,32,33)/t21?,24-,25+,26-/m1/s1
+CH$LINK: PUBCHEM CID:139588807
+CH$LINK: INCHIKEY ZSNZKFBMFHDMOM-TUJAQADMSA-N
+CH$LINK: CHEMSPIDER 64868962
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-630
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.352 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 597.3031
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-05fr-9700000000-7c15abd955941c022b74
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  70.0651 C4H8N+ 1 70.0651 -0.19
+  107.049 C7H7O+ 1 107.0491 -0.95
+  151.1231 C9H15N2+ 1 151.123 0.66
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  70.0651 292972.4 999
+  107.049 176770 602
+  151.1231 78046.8 266
+//
diff --git a/Eawag/MSBNK-EAWAG-EC125608.txt b/Eawag/MSBNK-EAWAG-EC125608.txt
new file mode 100644
index 0000000000..eb820b7e97
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC125608.txt
@@ -0,0 +1,51 @@
+ACCESSION: MSBNK-EAWAG-EC125608
+RECORD_TITLE: Spumigin F; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1111/j.1365-2958.2009.06816.x
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1256
+CH$NAME: Spumigin F
+CH$NAME: (2S)-N-(5-guanidino-1-oxopentan-2-yl)-1-((R)-2-((R)-2-hydroxy-3-(4-hydroxyphenyl)propanamido)-4-(4-hydroxyphenyl)butanoyl)pyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C30H40N6O7
+CH$EXACT_MASS: 596.2958476
+CH$SMILES: OC1=CC=C(C[C@@H](O)C(N[C@@H](C(N2[C@H](C(NC(CCCNC(N)=N)C=O)=O)CCC2)=O)CCC3=CC=C(O)C=C3)=O)C=C1
+CH$IUPAC: InChI=1S/C30H40N6O7/c31-30(32)33-15-1-3-21(18-37)34-27(41)25-4-2-16-36(25)29(43)24(14-9-19-5-10-22(38)11-6-19)35-28(42)26(40)17-20-7-12-23(39)13-8-20/h5-8,10-13,18,21,24-26,38-40H,1-4,9,14-17H2,(H,34,41)(H,35,42)(H4,31,32,33)/t21?,24-,25+,26-/m1/s1
+CH$LINK: PUBCHEM CID:139588807
+CH$LINK: INCHIKEY ZSNZKFBMFHDMOM-TUJAQADMSA-N
+CH$LINK: CHEMSPIDER 64868962
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-630
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.352 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 597.3031
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-05fr-9700000000-5cb879d14e4dfad3210d
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  70.0651 C4H8N+ 1 70.0651 -0.19
+  99.0915 C5H11N2+ 1 99.0917 -1.66
+  107.0491 C7H7O+ 1 107.0491 -0.02
+  151.1231 C9H15N2+ 1 151.123 0.66
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  70.0651 278844.4 999
+  99.0915 33140 118
+  107.0491 210927.8 755
+  151.1231 43886.8 157
+//
diff --git a/Eawag/MSBNK-EAWAG-EC125609.txt b/Eawag/MSBNK-EAWAG-EC125609.txt
new file mode 100644
index 0000000000..e46444f46e
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC125609.txt
@@ -0,0 +1,47 @@
+ACCESSION: MSBNK-EAWAG-EC125609
+RECORD_TITLE: Spumigin F; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1111/j.1365-2958.2009.06816.x
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1256
+CH$NAME: Spumigin F
+CH$NAME: (2S)-N-(5-guanidino-1-oxopentan-2-yl)-1-((R)-2-((R)-2-hydroxy-3-(4-hydroxyphenyl)propanamido)-4-(4-hydroxyphenyl)butanoyl)pyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C30H40N6O7
+CH$EXACT_MASS: 596.2958476
+CH$SMILES: OC1=CC=C(C[C@@H](O)C(N[C@@H](C(N2[C@H](C(NC(CCCNC(N)=N)C=O)=O)CCC2)=O)CCC3=CC=C(O)C=C3)=O)C=C1
+CH$IUPAC: InChI=1S/C30H40N6O7/c31-30(32)33-15-1-3-21(18-37)34-27(41)25-4-2-16-36(25)29(43)24(14-9-19-5-10-22(38)11-6-19)35-28(42)26(40)17-20-7-12-23(39)13-8-20/h5-8,10-13,18,21,24-26,38-40H,1-4,9,14-17H2,(H,34,41)(H,35,42)(H4,31,32,33)/t21?,24-,25+,26-/m1/s1
+CH$LINK: PUBCHEM CID:139588807
+CH$LINK: INCHIKEY ZSNZKFBMFHDMOM-TUJAQADMSA-N
+CH$LINK: CHEMSPIDER 64868962
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-630
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.352 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 597.3031
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0ab9-8900000000-4ef66e33cac7accc926b
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  70.0651 C4H8N+ 1 70.0651 -0.08
+  107.0491 C7H7O+ 1 107.0491 -0.52
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  70.0651 251916.8 969
+  107.0491 259708.4 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC128201.txt b/Eawag/MSBNK-EAWAG-EC128201.txt
new file mode 100644
index 0000000000..232c91ca91
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC128201.txt
@@ -0,0 +1,62 @@
+ACCESSION: MSBNK-EAWAG-EC128201
+RECORD_TITLE: Namalide B; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1093/femsec/fiaa243
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1282
+CH$NAME: Namalide B
+CH$NAME: (2S,3R)-2-[[(3S,6S,9R)-6-[(2S)-butan-2-yl]-3-[2-(4-hydroxyphenyl)ethyl]-2,5,8-trioxo-1,4,7-triazacyclotridec-9-yl]carbamoylamino]-3-methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C29H45N5O7
+CH$EXACT_MASS: 575.3318988
+CH$SMILES: CC[C@@H]([C@H]1C(N[C@@H](CCC2=CC=C(O)C=C2)C(NCCCC[C@@H](NC(N[C@@H]([C@@H](CC)C)C(O)=O)=O)C(N1)=O)=O)=O)C
+CH$IUPAC: InChI=1S/C29H45N5O7/c1-5-17(3)23-27(38)31-22(15-12-19-10-13-20(35)14-11-19)25(36)30-16-8-7-9-21(26(37)33-23)32-29(41)34-24(28(39)40)18(4)6-2/h10-11,13-14,17-18,21-24,35H,5-9,12,15-16H2,1-4H3,(H,30,36)(H,31,38)(H,33,37)(H,39,40)(H2,32,34,41)/t17-,18+,21+,22-,23-,24-/m0/s1
+CH$LINK: PUBCHEM CID:155801647
+CH$LINK: INCHIKEY BEGARHAEPVBWAE-NSDNVYNZSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-609
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.880 min
+MS$FOCUSED_ION: BASE_PEAK 576.3383
+MS$FOCUSED_ION: PRECURSOR_M/Z 576.3392
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-004i-0000290000-8009a9134438fac9f9b4
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  84.0807 C5H10N+ 1 84.0808 -0.85
+  261.1589 C13H19N5O+ 2 261.1584 1.96
+  291.1703 C16H23N2O3+ 2 291.1703 -0.13
+  350.17 C17H24N3O5+ 1 350.171 -2.91
+  419.2646 C22H35N4O4+ 3 419.2653 -1.63
+  435.2597 C22H35N4O5+ 2 435.2602 -1.22
+  445.2441 C25H35NO6+ 2 445.2459 -3.98
+  463.2543 C23H35N4O6+ 2 463.2551 -1.67
+  548.3438 C28H46N5O6+ 1 548.3443 -0.76
+  576.3386 C29H46N5O7+ 1 576.3392 -1.05
+PK$NUM_PEAK: 10
+PK$PEAK: m/z int. rel.int.
+  84.0807 3633407.2 74
+  261.1589 1189524.8 24
+  291.1703 931015.2 19
+  350.17 1758250.5 35
+  419.2646 4969268 101
+  435.2597 1540016.6 31
+  445.2441 4228632.5 86
+  463.2543 6050031 123
+  548.3438 10870980 222
+  576.3386 48848588 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC128202.txt b/Eawag/MSBNK-EAWAG-EC128202.txt
new file mode 100644
index 0000000000..6732352c21
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC128202.txt
@@ -0,0 +1,84 @@
+ACCESSION: MSBNK-EAWAG-EC128202
+RECORD_TITLE: Namalide B; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1093/femsec/fiaa243
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1282
+CH$NAME: Namalide B
+CH$NAME: (2S,3R)-2-[[(3S,6S,9R)-6-[(2S)-butan-2-yl]-3-[2-(4-hydroxyphenyl)ethyl]-2,5,8-trioxo-1,4,7-triazacyclotridec-9-yl]carbamoylamino]-3-methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C29H45N5O7
+CH$EXACT_MASS: 575.3318988
+CH$SMILES: CC[C@@H]([C@H]1C(N[C@@H](CCC2=CC=C(O)C=C2)C(NCCCC[C@@H](NC(N[C@@H]([C@@H](CC)C)C(O)=O)=O)C(N1)=O)=O)=O)C
+CH$IUPAC: InChI=1S/C29H45N5O7/c1-5-17(3)23-27(38)31-22(15-12-19-10-13-20(35)14-11-19)25(36)30-16-8-7-9-21(26(37)33-23)32-29(41)34-24(28(39)40)18(4)6-2/h10-11,13-14,17-18,21-24,35H,5-9,12,15-16H2,1-4H3,(H,30,36)(H,31,38)(H,33,37)(H,39,40)(H2,32,34,41)/t17-,18+,21+,22-,23-,24-/m0/s1
+CH$LINK: PUBCHEM CID:155801647
+CH$LINK: INCHIKEY BEGARHAEPVBWAE-NSDNVYNZSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-609
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.880 min
+MS$FOCUSED_ION: BASE_PEAK 576.3383
+MS$FOCUSED_ION: PRECURSOR_M/Z 576.3392
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03fs-2021970000-2d6083691ee16d578bc6
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  84.0807 C5H10N+ 1 84.0808 -0.58
+  129.1017 C6H13N2O+ 1 129.1022 -3.98
+  147.1124 C6H15N2O2+ 1 147.1128 -2.65
+  150.0913 C9H12NO+ 1 150.0913 -0.22
+  258.1807 C12H24N3O3+ 1 258.1812 -2.14
+  261.159 C13H19N5O+ 2 261.1584 2.19
+  268.1652 C13H22N3O3+ 1 268.1656 -1.53
+  291.1694 C16H23N2O3+ 2 291.1703 -3.28
+  350.1704 C17H24N3O5+ 1 350.171 -1.78
+  391.2692 C21H35N4O3+ 3 391.2704 -2.92
+  399.2601 C19H35N4O5+ 2 399.2602 -0.18
+  404.2546 C22H34N3O4+ 2 404.2544 0.58
+  417.2491 C22H33N4O4+ 2 417.2496 -1.38
+  419.2648 C22H35N4O4+ 2 419.2653 -1.2
+  435.2599 C22H35N4O5+ 2 435.2602 -0.66
+  445.2444 C25H35NO6+ 2 445.2459 -3.43
+  463.255 C23H35N4O6+ 2 463.2551 -0.22
+  505.3397 C27H45N4O5+ 1 505.3384 2.53
+  530.3331 C28H44N5O5+ 1 530.3337 -1.12
+  548.3438 C28H46N5O6+ 1 548.3443 -0.87
+  576.3391 C29H46N5O7+ 1 576.3392 -0.21
+PK$NUM_PEAK: 21
+PK$PEAK: m/z int. rel.int.
+  84.0807 7222637 547
+  129.1017 608412.9 46
+  147.1124 231013.1 17
+  150.0913 404368.2 30
+  258.1807 626373.1 47
+  261.159 4757720.5 360
+  268.1652 263230.8 19
+  291.1694 2142840 162
+  350.1704 4029887.5 305
+  391.2692 517825.3 39
+  399.2601 1543904.2 117
+  404.2546 512559.8 38
+  417.2491 3557634.8 269
+  419.2648 4080065 309
+  435.2599 3948859.2 299
+  445.2444 4409312.5 334
+  463.255 13177794 999
+  505.3397 901549.5 68
+  530.3331 368870.8 27
+  548.3438 9638322 730
+  576.3391 12847881 973
+//
diff --git a/Eawag/MSBNK-EAWAG-EC128203.txt b/Eawag/MSBNK-EAWAG-EC128203.txt
new file mode 100644
index 0000000000..36df61a54d
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC128203.txt
@@ -0,0 +1,104 @@
+ACCESSION: MSBNK-EAWAG-EC128203
+RECORD_TITLE: Namalide B; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1093/femsec/fiaa243
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1282
+CH$NAME: Namalide B
+CH$NAME: (2S,3R)-2-[[(3S,6S,9R)-6-[(2S)-butan-2-yl]-3-[2-(4-hydroxyphenyl)ethyl]-2,5,8-trioxo-1,4,7-triazacyclotridec-9-yl]carbamoylamino]-3-methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C29H45N5O7
+CH$EXACT_MASS: 575.3318988
+CH$SMILES: CC[C@@H]([C@H]1C(N[C@@H](CCC2=CC=C(O)C=C2)C(NCCCC[C@@H](NC(N[C@@H]([C@@H](CC)C)C(O)=O)=O)C(N1)=O)=O)=O)C
+CH$IUPAC: InChI=1S/C29H45N5O7/c1-5-17(3)23-27(38)31-22(15-12-19-10-13-20(35)14-11-19)25(36)30-16-8-7-9-21(26(37)33-23)32-29(41)34-24(28(39)40)18(4)6-2/h10-11,13-14,17-18,21-24,35H,5-9,12,15-16H2,1-4H3,(H,30,36)(H,31,38)(H,33,37)(H,39,40)(H2,32,34,41)/t17-,18+,21+,22-,23-,24-/m0/s1
+CH$LINK: PUBCHEM CID:155801647
+CH$LINK: INCHIKEY BEGARHAEPVBWAE-NSDNVYNZSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-609
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.880 min
+MS$FOCUSED_ION: BASE_PEAK 576.3383
+MS$FOCUSED_ION: PRECURSOR_M/Z 576.3392
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03di-3163920000-217ee4a82b8d18303e63
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  84.0807 C5H10N+ 1 84.0808 -1.03
+  86.0964 C5H12N+ 1 86.0964 -0.72
+  101.1072 C5H13N2+ 1 101.1073 -1.17
+  129.1019 C6H13N2O+ 1 129.1022 -2.56
+  132.1013 C6H14NO2+ 1 132.1019 -4.34
+  147.1125 C6H15N2O2+ 1 147.1128 -1.93
+  173.0911 C5H11N5O2+ 1 173.0907 1.98
+  190.1182 C7H16N3O3+ 1 190.1186 -2.39
+  227.1743 C10H21N5O+ 2 227.1741 1.08
+  250.1545 C13H20N3O2+ 1 250.155 -1.94
+  258.1806 C12H24N3O3+ 1 258.1812 -2.26
+  261.159 C13H19N5O+ 2 261.1584 2.08
+  263.1749 C13H21N5O+ 2 263.1741 3.29
+  268.1645 C13H22N3O3+ 1 268.1656 -3.81
+  291.1695 C16H23N2O3+ 2 291.1703 -2.65
+  311.208 C15H27N4O3+ 2 311.2078 0.78
+  331.2385 C20H31N2O2+ 1 331.238 1.63
+  350.1705 C17H24N3O5+ 1 350.171 -1.61
+  359.2321 C21H31N2O3+ 2 359.2329 -2.22
+  371.2656 C18H35N4O4+ 2 371.2653 0.88
+  381.2487 C16H35N3O7+ 2 381.247 4.48
+  399.2589 C19H35N4O5+ 1 399.2602 -3.32
+  417.2488 C22H33N4O4+ 2 417.2496 -1.9
+  419.2651 C22H35N4O4+ 2 419.2653 -0.32
+  435.2598 C22H35N4O5+ 2 435.2602 -0.94
+  437.2753 C22H37N4O5+ 2 437.2758 -1.32
+  445.2437 C25H35NO6+ 2 445.2459 -4.94
+  463.2547 C23H35N4O6+ 2 463.2551 -0.88
+  505.3384 C27H45N4O5+ 1 505.3384 -0.06
+  548.3439 C28H46N5O6+ 1 548.3443 -0.65
+  576.3383 C29H46N5O7+ 1 576.3392 -1.58
+PK$NUM_PEAK: 31
+PK$PEAK: m/z int. rel.int.
+  84.0807 9842684 993
+  86.0964 616042.1 62
+  101.1072 220654.4 22
+  129.1019 1533898.1 154
+  132.1013 207340.8 20
+  147.1125 329589.9 33
+  173.0911 600968.9 60
+  190.1182 436899.2 44
+  227.1743 1106226.6 111
+  250.1545 758828 76
+  258.1806 931316 94
+  261.159 8021850.5 809
+  263.1749 2499471 252
+  268.1645 574999.9 58
+  291.1695 4262462.5 430
+  311.208 256510.3 25
+  331.2385 712754.5 71
+  350.1705 6104414.5 616
+  359.2321 1096495.9 110
+  371.2656 380344.2 38
+  381.2487 547227.4 55
+  399.2589 1213676.8 122
+  417.2488 5889955.5 594
+  419.2651 1976725.9 199
+  435.2598 5760271 581
+  437.2753 262164.4 26
+  445.2437 2513151 253
+  463.2547 9894920 999
+  505.3384 1326119.4 133
+  548.3439 3733936.2 376
+  576.3383 2369311.8 239
+//
diff --git a/Eawag/MSBNK-EAWAG-EC128204.txt b/Eawag/MSBNK-EAWAG-EC128204.txt
new file mode 100644
index 0000000000..49364e3223
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC128204.txt
@@ -0,0 +1,104 @@
+ACCESSION: MSBNK-EAWAG-EC128204
+RECORD_TITLE: Namalide B; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1093/femsec/fiaa243
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1282
+CH$NAME: Namalide B
+CH$NAME: (2S,3R)-2-[[(3S,6S,9R)-6-[(2S)-butan-2-yl]-3-[2-(4-hydroxyphenyl)ethyl]-2,5,8-trioxo-1,4,7-triazacyclotridec-9-yl]carbamoylamino]-3-methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C29H45N5O7
+CH$EXACT_MASS: 575.3318988
+CH$SMILES: CC[C@@H]([C@H]1C(N[C@@H](CCC2=CC=C(O)C=C2)C(NCCCC[C@@H](NC(N[C@@H]([C@@H](CC)C)C(O)=O)=O)C(N1)=O)=O)=O)C
+CH$IUPAC: InChI=1S/C29H45N5O7/c1-5-17(3)23-27(38)31-22(15-12-19-10-13-20(35)14-11-19)25(36)30-16-8-7-9-21(26(37)33-23)32-29(41)34-24(28(39)40)18(4)6-2/h10-11,13-14,17-18,21-24,35H,5-9,12,15-16H2,1-4H3,(H,30,36)(H,31,38)(H,33,37)(H,39,40)(H2,32,34,41)/t17-,18+,21+,22-,23-,24-/m0/s1
+CH$LINK: PUBCHEM CID:155801647
+CH$LINK: INCHIKEY BEGARHAEPVBWAE-NSDNVYNZSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-609
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.880 min
+MS$FOCUSED_ION: BASE_PEAK 576.3383
+MS$FOCUSED_ION: PRECURSOR_M/Z 576.3392
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0gx0-9588800000-b54c318edff290094904
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  84.0807 C5H10N+ 1 84.0808 -0.39
+  86.0964 C5H12N+ 1 86.0964 -0.01
+  101.1072 C5H13N2+ 1 101.1073 -1.63
+  129.102 C6H13N2O+ 1 129.1022 -1.5
+  132.1018 C6H14NO2+ 1 132.1019 -0.88
+  147.1129 C6H15N2O2+ 1 147.1128 0.46
+  150.091 C9H12NO+ 1 150.0913 -2.05
+  154.1591 C10H20N+ 1 154.159 0.48
+  155.0817 C7H11N2O2+ 1 155.0815 1.26
+  173.0915 C5H11N5O2+ 2 173.0907 4.36
+  190.1183 C7H16N3O3+ 1 190.1186 -1.67
+  199.1801 C11H23N2O+ 2 199.1805 -2.19
+  224.175 C12H22N3O+ 1 224.1757 -3.32
+  240.1699 C12H22N3O2+ 1 240.1707 -2.95
+  250.1544 C13H20N3O2+ 1 250.155 -2.3
+  258.1812 C12H24N3O3+ 1 258.1812 0.1
+  263.1748 C13H21N5O+ 2 263.1741 2.94
+  268.1647 C13H22N3O3+ 1 268.1656 -3.24
+  286.1754 C13H24N3O4+ 1 286.1761 -2.42
+  291.1699 C16H23N2O3+ 2 291.1703 -1.6
+  324.1925 C16H26N3O4+ 2 324.1918 2.24
+  331.2371 C20H31N2O2+ 2 331.238 -2.7
+  350.1706 C17H24N3O5+ 1 350.171 -1.34
+  391.2696 C21H35N4O3+ 3 391.2704 -2.07
+  392.2547 C21H34N3O4+ 2 392.2544 0.88
+  399.2609 C19H35N4O5+ 2 399.2602 1.65
+  417.2491 C22H33N4O4+ 2 417.2496 -1.16
+  419.2647 C22H35N4O4+ 2 419.2653 -1.34
+  435.2598 C22H35N4O5+ 2 435.2602 -0.8
+  463.2545 C23H35N4O6+ 2 463.2551 -1.27
+  505.3368 C27H45N4O5+ 1 505.3384 -3.32
+PK$NUM_PEAK: 31
+PK$PEAK: m/z int. rel.int.
+  84.0807 13769226 999
+  86.0964 1779828.4 129
+  101.1072 245144.8 17
+  129.102 2942805.5 213
+  132.1018 429768.2 31
+  147.1129 380590.5 27
+  150.091 3102320 225
+  154.1591 408948.5 29
+  155.0817 257202.2 18
+  173.0915 1174987.6 85
+  190.1183 389668.2 28
+  199.1801 516329.1 37
+  224.175 433846.8 31
+  240.1699 1359943.5 98
+  250.1544 1340757.5 97
+  258.1812 783015.2 56
+  263.1748 5803099.5 421
+  268.1647 841267.3 61
+  286.1754 1360385.5 98
+  291.1699 3332403.8 241
+  324.1925 548015.4 39
+  331.2371 1356911.9 98
+  350.1706 9484083 688
+  391.2696 1178654.6 85
+  392.2547 769080 55
+  399.2609 771395.7 55
+  417.2491 5041494 365
+  419.2647 590804.6 42
+  435.2598 4757378 345
+  463.2545 3599910.2 261
+  505.3368 508451.5 36
+//
diff --git a/Eawag/MSBNK-EAWAG-EC128205.txt b/Eawag/MSBNK-EAWAG-EC128205.txt
new file mode 100644
index 0000000000..097a472d28
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC128205.txt
@@ -0,0 +1,94 @@
+ACCESSION: MSBNK-EAWAG-EC128205
+RECORD_TITLE: Namalide B; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1093/femsec/fiaa243
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1282
+CH$NAME: Namalide B
+CH$NAME: (2S,3R)-2-[[(3S,6S,9R)-6-[(2S)-butan-2-yl]-3-[2-(4-hydroxyphenyl)ethyl]-2,5,8-trioxo-1,4,7-triazacyclotridec-9-yl]carbamoylamino]-3-methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C29H45N5O7
+CH$EXACT_MASS: 575.3318988
+CH$SMILES: CC[C@@H]([C@H]1C(N[C@@H](CCC2=CC=C(O)C=C2)C(NCCCC[C@@H](NC(N[C@@H]([C@@H](CC)C)C(O)=O)=O)C(N1)=O)=O)=O)C
+CH$IUPAC: InChI=1S/C29H45N5O7/c1-5-17(3)23-27(38)31-22(15-12-19-10-13-20(35)14-11-19)25(36)30-16-8-7-9-21(26(37)33-23)32-29(41)34-24(28(39)40)18(4)6-2/h10-11,13-14,17-18,21-24,35H,5-9,12,15-16H2,1-4H3,(H,30,36)(H,31,38)(H,33,37)(H,39,40)(H2,32,34,41)/t17-,18+,21+,22-,23-,24-/m0/s1
+CH$LINK: PUBCHEM CID:155801647
+CH$LINK: INCHIKEY BEGARHAEPVBWAE-NSDNVYNZSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-609
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.880 min
+MS$FOCUSED_ION: BASE_PEAK 576.3383
+MS$FOCUSED_ION: PRECURSOR_M/Z 576.3392
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0f89-9833000000-c8977e7b606b19a1679c
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  44.0494 C2H6N+ 1 44.0495 -2.36
+  84.0807 C5H10N+ 1 84.0808 -0.67
+  86.0964 C5H12N+ 1 86.0964 -0.36
+  107.0491 C7H7O+ 1 107.0491 -0.78
+  129.102 C6H13N2O+ 1 129.1022 -2.21
+  130.0859 C6H12NO2+ 1 130.0863 -2.54
+  133.0646 C9H9O+ 1 133.0648 -1.14
+  147.1128 C6H15N2O2+ 1 147.1128 0.15
+  150.091 C9H12NO+ 1 150.0913 -2.35
+  154.1588 C10H20N+ 1 154.159 -1.69
+  155.0811 C7H11N2O2+ 1 155.0815 -2.47
+  173.0913 C5H11N5O2+ 2 173.0907 3.12
+  199.1801 C11H23N2O+ 2 199.1805 -1.81
+  218.1529 C12H18N4+ 2 218.1526 1.27
+  222.1595 C12H20N3O+ 1 222.1601 -2.53
+  224.1756 C12H22N3O+ 1 224.1757 -0.81
+  240.1698 C12H22N3O2+ 1 240.1707 -3.39
+  250.1551 C13H20N3O2+ 1 250.155 0.26
+  263.1748 C13H21N5O+ 2 263.1741 2.71
+  266.1856 C14H24N3O2+ 1 266.1863 -2.67
+  268.1642 C10H24N2O6+ 1 268.1629 4.93
+  304.1654 C16H22N3O3+ 2 304.1656 -0.49
+  331.237 C20H31N2O2+ 3 331.238 -3.16
+  350.1705 C17H24N3O5+ 1 350.171 -1.52
+  392.2524 C21H34N3O4+ 2 392.2544 -4.95
+  417.2482 C22H33N4O4+ 2 417.2496 -3.36
+PK$NUM_PEAK: 26
+PK$PEAK: m/z int. rel.int.
+  44.0494 368319 17
+  84.0807 21311496 999
+  86.0964 5867661.5 275
+  107.0491 2064621.5 96
+  129.102 6433041 301
+  130.0859 267526.9 12
+  133.0646 460116.2 21
+  147.1128 373206.7 17
+  150.091 10665333 499
+  154.1588 1229660.5 57
+  155.0811 859645.8 40
+  173.0913 2084827.8 97
+  199.1801 474278.1 22
+  218.1529 1284165.4 60
+  222.1595 430536.3 20
+  224.1756 536569.2 25
+  240.1698 2557137.2 119
+  250.1551 1374104.9 64
+  263.1748 3177069 148
+  266.1856 466179.2 21
+  268.1642 750961.6 35
+  304.1654 490301.2 22
+  331.237 606611.4 28
+  350.1705 8422340 394
+  392.2524 1038743.1 48
+  417.2482 809518.2 37
+//
diff --git a/Eawag/MSBNK-EAWAG-EC128206.txt b/Eawag/MSBNK-EAWAG-EC128206.txt
new file mode 100644
index 0000000000..686ac52545
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC128206.txt
@@ -0,0 +1,88 @@
+ACCESSION: MSBNK-EAWAG-EC128206
+RECORD_TITLE: Namalide B; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1093/femsec/fiaa243
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1282
+CH$NAME: Namalide B
+CH$NAME: (2S,3R)-2-[[(3S,6S,9R)-6-[(2S)-butan-2-yl]-3-[2-(4-hydroxyphenyl)ethyl]-2,5,8-trioxo-1,4,7-triazacyclotridec-9-yl]carbamoylamino]-3-methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C29H45N5O7
+CH$EXACT_MASS: 575.3318988
+CH$SMILES: CC[C@@H]([C@H]1C(N[C@@H](CCC2=CC=C(O)C=C2)C(NCCCC[C@@H](NC(N[C@@H]([C@@H](CC)C)C(O)=O)=O)C(N1)=O)=O)=O)C
+CH$IUPAC: InChI=1S/C29H45N5O7/c1-5-17(3)23-27(38)31-22(15-12-19-10-13-20(35)14-11-19)25(36)30-16-8-7-9-21(26(37)33-23)32-29(41)34-24(28(39)40)18(4)6-2/h10-11,13-14,17-18,21-24,35H,5-9,12,15-16H2,1-4H3,(H,30,36)(H,31,38)(H,33,37)(H,39,40)(H2,32,34,41)/t17-,18+,21+,22-,23-,24-/m0/s1
+CH$LINK: PUBCHEM CID:155801647
+CH$LINK: INCHIKEY BEGARHAEPVBWAE-NSDNVYNZSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-609
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.880 min
+MS$FOCUSED_ION: BASE_PEAK 576.3383
+MS$FOCUSED_ION: PRECURSOR_M/Z 576.3392
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-001i-9710000000-4f422a0fa01ba6f669fb
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  44.0494 C2H6N+ 1 44.0495 -2.19
+  69.0697 C5H9+ 1 69.0699 -1.85
+  84.0808 C5H10N+ 1 84.0808 -0.3
+  86.0964 C5H12N+ 1 86.0964 -0.1
+  101.1072 C5H13N2+ 1 101.1073 -1.7
+  107.049 C7H7O+ 1 107.0491 -0.99
+  112.112 C7H14N+ 1 112.1121 -1.02
+  129.102 C6H13N2O+ 1 129.1022 -1.61
+  130.0863 C6H12NO2+ 1 130.0863 0.39
+  132.1018 C6H14NO2+ 1 132.1019 -0.64
+  133.0644 C9H9O+ 1 133.0648 -2.97
+  147.1122 C6H15N2O2+ 2 147.1128 -4.31
+  150.091 C9H12NO+ 1 150.0913 -2.05
+  154.1585 C10H20N+ 1 154.159 -3.67
+  155.081 C7H11N2O2+ 1 155.0815 -3.26
+  173.0915 C5H11N5O2+ 2 173.0907 4.27
+  218.1531 C12H18N4+ 2 218.1526 2.25
+  240.1703 C12H22N3O2+ 1 240.1707 -1.42
+  250.1542 C13H20N3O2+ 1 250.155 -3.4
+  261.1591 C13H19N5O+ 2 261.1584 2.55
+  263.174 C13H21N5O+ 2 263.1741 -0.19
+  266.1864 C14H24N3O2+ 2 266.1863 0.2
+  350.1705 C17H24N3O5+ 1 350.171 -1.43
+PK$NUM_PEAK: 23
+PK$PEAK: m/z int. rel.int.
+  44.0494 1160660.4 42
+  69.0697 591079.1 21
+  84.0808 27512952 999
+  86.0964 9631725 349
+  101.1072 279148 10
+  107.049 8212262 298
+  112.112 535692 19
+  129.102 6998679 254
+  130.0863 462789 16
+  132.1018 610127 22
+  133.0644 686733.6 24
+  147.1122 322446.1 11
+  150.091 10817355 392
+  154.1585 1236352.9 44
+  155.081 1649426 59
+  173.0915 2229491.5 80
+  218.1531 943795.3 34
+  240.1703 2467004.5 89
+  250.1542 786716.3 28
+  261.1591 411628.1 14
+  263.174 376629.1 13
+  266.1864 331368.5 12
+  350.1705 1707417.5 61
+//
diff --git a/Eawag/MSBNK-EAWAG-EC128207.txt b/Eawag/MSBNK-EAWAG-EC128207.txt
new file mode 100644
index 0000000000..0d93b9c176
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC128207.txt
@@ -0,0 +1,78 @@
+ACCESSION: MSBNK-EAWAG-EC128207
+RECORD_TITLE: Namalide B; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1093/femsec/fiaa243
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1282
+CH$NAME: Namalide B
+CH$NAME: (2S,3R)-2-[[(3S,6S,9R)-6-[(2S)-butan-2-yl]-3-[2-(4-hydroxyphenyl)ethyl]-2,5,8-trioxo-1,4,7-triazacyclotridec-9-yl]carbamoylamino]-3-methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C29H45N5O7
+CH$EXACT_MASS: 575.3318988
+CH$SMILES: CC[C@@H]([C@H]1C(N[C@@H](CCC2=CC=C(O)C=C2)C(NCCCC[C@@H](NC(N[C@@H]([C@@H](CC)C)C(O)=O)=O)C(N1)=O)=O)=O)C
+CH$IUPAC: InChI=1S/C29H45N5O7/c1-5-17(3)23-27(38)31-22(15-12-19-10-13-20(35)14-11-19)25(36)30-16-8-7-9-21(26(37)33-23)32-29(41)34-24(28(39)40)18(4)6-2/h10-11,13-14,17-18,21-24,35H,5-9,12,15-16H2,1-4H3,(H,30,36)(H,31,38)(H,33,37)(H,39,40)(H2,32,34,41)/t17-,18+,21+,22-,23-,24-/m0/s1
+CH$LINK: PUBCHEM CID:155801647
+CH$LINK: INCHIKEY BEGARHAEPVBWAE-NSDNVYNZSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-609
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.880 min
+MS$FOCUSED_ION: BASE_PEAK 576.3383
+MS$FOCUSED_ION: PRECURSOR_M/Z 576.3392
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-053r-9600000000-741913bdf7b784f7ee9f
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  44.0494 C2H6N+ 1 44.0495 -2.19
+  56.0495 C3H6N+ 1 56.0495 -0.22
+  69.0698 C5H9+ 1 69.0699 -1.3
+  84.0807 C5H10N+ 1 84.0808 -0.94
+  86.0963 C5H12N+ 1 86.0964 -0.89
+  107.049 C7H7O+ 1 107.0491 -1.7
+  111.0918 C6H11N2+ 1 111.0917 0.68
+  112.1118 C7H14N+ 1 112.1121 -2.11
+  128.0704 C6H10NO2+ 1 128.0706 -1.78
+  129.1019 C6H13N2O+ 1 129.1022 -2.32
+  132.1014 C6H14NO2+ 1 132.1019 -3.65
+  133.0643 C9H9O+ 1 133.0648 -3.54
+  150.0909 C9H12NO+ 1 150.0913 -2.76
+  154.1585 C10H20N+ 1 154.159 -3.28
+  155.081 C7H11N2O2+ 1 155.0815 -2.97
+  173.0913 C5H11N5O2+ 2 173.0907 3.04
+  222.1592 C12H20N3O+ 1 222.1601 -4.18
+  240.1696 C12H22N3O2+ 1 240.1707 -4.22
+PK$NUM_PEAK: 18
+PK$PEAK: m/z int. rel.int.
+  44.0494 1349105 39
+  56.0495 454014.2 13
+  69.0698 1244575.1 36
+  84.0807 34309276 999
+  86.0963 10358703 301
+  107.049 17880036 520
+  111.0918 353458.3 10
+  112.1118 691304.6 20
+  128.0704 367567.7 10
+  129.1019 6211809.5 180
+  132.1014 347720.8 10
+  133.0643 658038.5 19
+  150.0909 4397861 128
+  154.1585 706231.6 20
+  155.081 1969700.5 57
+  173.0913 1514858.9 44
+  222.1592 487533.9 14
+  240.1696 1070274.9 31
+//
diff --git a/Eawag/MSBNK-EAWAG-EC128208.txt b/Eawag/MSBNK-EAWAG-EC128208.txt
new file mode 100644
index 0000000000..feae78e865
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC128208.txt
@@ -0,0 +1,70 @@
+ACCESSION: MSBNK-EAWAG-EC128208
+RECORD_TITLE: Namalide B; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1093/femsec/fiaa243
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1282
+CH$NAME: Namalide B
+CH$NAME: (2S,3R)-2-[[(3S,6S,9R)-6-[(2S)-butan-2-yl]-3-[2-(4-hydroxyphenyl)ethyl]-2,5,8-trioxo-1,4,7-triazacyclotridec-9-yl]carbamoylamino]-3-methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C29H45N5O7
+CH$EXACT_MASS: 575.3318988
+CH$SMILES: CC[C@@H]([C@H]1C(N[C@@H](CCC2=CC=C(O)C=C2)C(NCCCC[C@@H](NC(N[C@@H]([C@@H](CC)C)C(O)=O)=O)C(N1)=O)=O)=O)C
+CH$IUPAC: InChI=1S/C29H45N5O7/c1-5-17(3)23-27(38)31-22(15-12-19-10-13-20(35)14-11-19)25(36)30-16-8-7-9-21(26(37)33-23)32-29(41)34-24(28(39)40)18(4)6-2/h10-11,13-14,17-18,21-24,35H,5-9,12,15-16H2,1-4H3,(H,30,36)(H,31,38)(H,33,37)(H,39,40)(H2,32,34,41)/t17-,18+,21+,22-,23-,24-/m0/s1
+CH$LINK: PUBCHEM CID:155801647
+CH$LINK: INCHIKEY BEGARHAEPVBWAE-NSDNVYNZSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-609
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.880 min
+MS$FOCUSED_ION: BASE_PEAK 576.3383
+MS$FOCUSED_ION: PRECURSOR_M/Z 576.3392
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-053r-9500000000-2aeded68e866b341e577
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  44.0494 C2H6N+ 1 44.0495 -1.67
+  56.0494 C3H6N+ 1 56.0495 -1.51
+  67.0541 C5H7+ 1 67.0542 -1.5
+  69.0699 C5H9+ 1 69.0699 0.36
+  84.0807 C5H10N+ 1 84.0808 -0.76
+  86.0964 C5H12N+ 1 86.0964 -0.72
+  107.049 C7H7O+ 1 107.0491 -1.42
+  110.06 C6H8NO+ 1 110.06 -0.75
+  112.1119 C7H14N+ 1 112.1121 -1.29
+  129.1019 C6H13N2O+ 1 129.1022 -2.68
+  133.0643 C9H9O+ 1 133.0648 -3.89
+  150.091 C9H12NO+ 1 150.0913 -2.35
+  154.1585 C10H20N+ 1 154.159 -3.47
+  155.0812 C7H11N2O2+ 1 155.0815 -2.18
+PK$NUM_PEAK: 14
+PK$PEAK: m/z int. rel.int.
+  44.0494 1210668.6 36
+  56.0494 619620.9 18
+  67.0541 430846 13
+  69.0699 1630634.1 49
+  84.0807 33017908 999
+  86.0964 8584661 259
+  107.049 21086522 638
+  110.06 363819.4 11
+  112.1119 611763.9 18
+  129.1019 3363692 101
+  133.0643 378474.6 11
+  150.091 874536.9 26
+  154.1585 434211.5 13
+  155.0812 1098287.2 33
+//
diff --git a/Eawag/MSBNK-EAWAG-EC128209.txt b/Eawag/MSBNK-EAWAG-EC128209.txt
new file mode 100644
index 0000000000..06327d50fb
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC128209.txt
@@ -0,0 +1,64 @@
+ACCESSION: MSBNK-EAWAG-EC128209
+RECORD_TITLE: Namalide B; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1093/femsec/fiaa243
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1282
+CH$NAME: Namalide B
+CH$NAME: (2S,3R)-2-[[(3S,6S,9R)-6-[(2S)-butan-2-yl]-3-[2-(4-hydroxyphenyl)ethyl]-2,5,8-trioxo-1,4,7-triazacyclotridec-9-yl]carbamoylamino]-3-methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C29H45N5O7
+CH$EXACT_MASS: 575.3318988
+CH$SMILES: CC[C@@H]([C@H]1C(N[C@@H](CCC2=CC=C(O)C=C2)C(NCCCC[C@@H](NC(N[C@@H]([C@@H](CC)C)C(O)=O)=O)C(N1)=O)=O)=O)C
+CH$IUPAC: InChI=1S/C29H45N5O7/c1-5-17(3)23-27(38)31-22(15-12-19-10-13-20(35)14-11-19)25(36)30-16-8-7-9-21(26(37)33-23)32-29(41)34-24(28(39)40)18(4)6-2/h10-11,13-14,17-18,21-24,35H,5-9,12,15-16H2,1-4H3,(H,30,36)(H,31,38)(H,33,37)(H,39,40)(H2,32,34,41)/t17-,18+,21+,22-,23-,24-/m0/s1
+CH$LINK: PUBCHEM CID:155801647
+CH$LINK: INCHIKEY BEGARHAEPVBWAE-NSDNVYNZSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-609
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.880 min
+MS$FOCUSED_ION: BASE_PEAK 576.3383
+MS$FOCUSED_ION: PRECURSOR_M/Z 576.3392
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-053r-9400000000-b8831dac6775a46bc291
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  56.0495 C3H6N+ 1 56.0495 -0.22
+  67.0542 C5H7+ 1 67.0542 0.32
+  69.0698 C5H9+ 1 69.0699 -0.64
+  84.0807 C5H10N+ 1 84.0808 -0.76
+  86.0964 C5H12N+ 1 86.0964 -0.54
+  107.049 C7H7O+ 1 107.0491 -1.56
+  110.0601 C6H8NO+ 1 110.06 0.16
+  111.0914 C6H11N2+ 1 111.0917 -2.48
+  129.102 C6H13N2O+ 1 129.1022 -1.85
+  133.0644 C9H9O+ 1 133.0648 -3.31
+  155.0811 C7H11N2O2+ 1 155.0815 -2.38
+PK$NUM_PEAK: 11
+PK$PEAK: m/z int. rel.int.
+  56.0495 1618663.5 41
+  67.0542 769078.7 19
+  69.0698 2433217.2 62
+  84.0807 38600408 999
+  86.0964 7518477 194
+  107.049 24248006 627
+  110.0601 493949.7 12
+  111.0914 576635.8 14
+  129.102 1643699.6 42
+  133.0644 420153.2 10
+  155.0811 758831.4 19
+//
diff --git a/Eawag/MSBNK-EAWAG-EC128251.txt b/Eawag/MSBNK-EAWAG-EC128251.txt
new file mode 100644
index 0000000000..4d4304a66e
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC128251.txt
@@ -0,0 +1,48 @@
+ACCESSION: MSBNK-EAWAG-EC128251
+RECORD_TITLE: Namalide B; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1093/femsec/fiaa243
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1282
+CH$NAME: Namalide B
+CH$NAME: (2S,3R)-2-[[(3S,6S,9R)-6-[(2S)-butan-2-yl]-3-[2-(4-hydroxyphenyl)ethyl]-2,5,8-trioxo-1,4,7-triazacyclotridec-9-yl]carbamoylamino]-3-methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C29H45N5O7
+CH$EXACT_MASS: 575.3318988
+CH$SMILES: CC[C@@H]([C@H]1C(N[C@@H](CCC2=CC=C(O)C=C2)C(NCCCC[C@@H](NC(N[C@@H]([C@@H](CC)C)C(O)=O)=O)C(N1)=O)=O)=O)C
+CH$IUPAC: InChI=1S/C29H45N5O7/c1-5-17(3)23-27(38)31-22(15-12-19-10-13-20(35)14-11-19)25(36)30-16-8-7-9-21(26(37)33-23)32-29(41)34-24(28(39)40)18(4)6-2/h10-11,13-14,17-18,21-24,35H,5-9,12,15-16H2,1-4H3,(H,30,36)(H,31,38)(H,33,37)(H,39,40)(H2,32,34,41)/t17-,18+,21+,22-,23-,24-/m0/s1
+CH$LINK: PUBCHEM CID:155801647
+CH$LINK: INCHIKEY BEGARHAEPVBWAE-NSDNVYNZSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-607
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.918 min
+MS$FOCUSED_ION: BASE_PEAK 574.324
+MS$FOCUSED_ION: PRECURSOR_M/Z 574.3246
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0006-0000920000-8b53e503db12c2fd38b8
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  443.2295 C23H31N4O5- 2 443.23 -1.09
+  556.3142 C29H42N5O6- 1 556.3141 0.24
+  574.3242 C29H44N5O7- 1 574.3246 -0.72
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  443.2295 55919848 999
+  556.3142 3411563.2 60
+  574.3242 12487788 223
+//
diff --git a/Eawag/MSBNK-EAWAG-EC128252.txt b/Eawag/MSBNK-EAWAG-EC128252.txt
new file mode 100644
index 0000000000..2caf5f9c02
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC128252.txt
@@ -0,0 +1,46 @@
+ACCESSION: MSBNK-EAWAG-EC128252
+RECORD_TITLE: Namalide B; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1093/femsec/fiaa243
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1282
+CH$NAME: Namalide B
+CH$NAME: (2S,3R)-2-[[(3S,6S,9R)-6-[(2S)-butan-2-yl]-3-[2-(4-hydroxyphenyl)ethyl]-2,5,8-trioxo-1,4,7-triazacyclotridec-9-yl]carbamoylamino]-3-methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C29H45N5O7
+CH$EXACT_MASS: 575.3318988
+CH$SMILES: CC[C@@H]([C@H]1C(N[C@@H](CCC2=CC=C(O)C=C2)C(NCCCC[C@@H](NC(N[C@@H]([C@@H](CC)C)C(O)=O)=O)C(N1)=O)=O)=O)C
+CH$IUPAC: InChI=1S/C29H45N5O7/c1-5-17(3)23-27(38)31-22(15-12-19-10-13-20(35)14-11-19)25(36)30-16-8-7-9-21(26(37)33-23)32-29(41)34-24(28(39)40)18(4)6-2/h10-11,13-14,17-18,21-24,35H,5-9,12,15-16H2,1-4H3,(H,30,36)(H,31,38)(H,33,37)(H,39,40)(H2,32,34,41)/t17-,18+,21+,22-,23-,24-/m0/s1
+CH$LINK: PUBCHEM CID:155801647
+CH$LINK: INCHIKEY BEGARHAEPVBWAE-NSDNVYNZSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-607
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.918 min
+MS$FOCUSED_ION: BASE_PEAK 574.324
+MS$FOCUSED_ION: PRECURSOR_M/Z 574.3246
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0006-0000900000-ff52ba64c5aa8ddc75d2
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  443.2297 C23H31N4O5- 2 443.23 -0.68
+  556.3144 C29H42N5O6- 1 556.3141 0.57
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  443.2297 91241048 999
+  556.3144 4245130.5 46
+//
diff --git a/Eawag/MSBNK-EAWAG-EC128253.txt b/Eawag/MSBNK-EAWAG-EC128253.txt
new file mode 100644
index 0000000000..7dd650b226
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC128253.txt
@@ -0,0 +1,48 @@
+ACCESSION: MSBNK-EAWAG-EC128253
+RECORD_TITLE: Namalide B; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1093/femsec/fiaa243
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1282
+CH$NAME: Namalide B
+CH$NAME: (2S,3R)-2-[[(3S,6S,9R)-6-[(2S)-butan-2-yl]-3-[2-(4-hydroxyphenyl)ethyl]-2,5,8-trioxo-1,4,7-triazacyclotridec-9-yl]carbamoylamino]-3-methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C29H45N5O7
+CH$EXACT_MASS: 575.3318988
+CH$SMILES: CC[C@@H]([C@H]1C(N[C@@H](CCC2=CC=C(O)C=C2)C(NCCCC[C@@H](NC(N[C@@H]([C@@H](CC)C)C(O)=O)=O)C(N1)=O)=O)=O)C
+CH$IUPAC: InChI=1S/C29H45N5O7/c1-5-17(3)23-27(38)31-22(15-12-19-10-13-20(35)14-11-19)25(36)30-16-8-7-9-21(26(37)33-23)32-29(41)34-24(28(39)40)18(4)6-2/h10-11,13-14,17-18,21-24,35H,5-9,12,15-16H2,1-4H3,(H,30,36)(H,31,38)(H,33,37)(H,39,40)(H2,32,34,41)/t17-,18+,21+,22-,23-,24-/m0/s1
+CH$LINK: PUBCHEM CID:155801647
+CH$LINK: INCHIKEY BEGARHAEPVBWAE-NSDNVYNZSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-607
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.918 min
+MS$FOCUSED_ION: BASE_PEAK 574.324
+MS$FOCUSED_ION: PRECURSOR_M/Z 574.3246
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0006-0000900000-f0d7b385c4ba053f66be
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  130.0871 C6H12NO2- 1 130.0874 -1.89
+  443.2298 C23H31N4O5- 2 443.23 -0.54
+  556.3141 C29H42N5O6- 1 556.3141 0.02
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  130.0871 1617760.9 21
+  443.2298 76265728 999
+  556.3141 3841639 50
+//
diff --git a/Eawag/MSBNK-EAWAG-EC128254.txt b/Eawag/MSBNK-EAWAG-EC128254.txt
new file mode 100644
index 0000000000..108d6ba1d8
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC128254.txt
@@ -0,0 +1,52 @@
+ACCESSION: MSBNK-EAWAG-EC128254
+RECORD_TITLE: Namalide B; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1093/femsec/fiaa243
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1282
+CH$NAME: Namalide B
+CH$NAME: (2S,3R)-2-[[(3S,6S,9R)-6-[(2S)-butan-2-yl]-3-[2-(4-hydroxyphenyl)ethyl]-2,5,8-trioxo-1,4,7-triazacyclotridec-9-yl]carbamoylamino]-3-methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C29H45N5O7
+CH$EXACT_MASS: 575.3318988
+CH$SMILES: CC[C@@H]([C@H]1C(N[C@@H](CCC2=CC=C(O)C=C2)C(NCCCC[C@@H](NC(N[C@@H]([C@@H](CC)C)C(O)=O)=O)C(N1)=O)=O)=O)C
+CH$IUPAC: InChI=1S/C29H45N5O7/c1-5-17(3)23-27(38)31-22(15-12-19-10-13-20(35)14-11-19)25(36)30-16-8-7-9-21(26(37)33-23)32-29(41)34-24(28(39)40)18(4)6-2/h10-11,13-14,17-18,21-24,35H,5-9,12,15-16H2,1-4H3,(H,30,36)(H,31,38)(H,33,37)(H,39,40)(H2,32,34,41)/t17-,18+,21+,22-,23-,24-/m0/s1
+CH$LINK: PUBCHEM CID:155801647
+CH$LINK: INCHIKEY BEGARHAEPVBWAE-NSDNVYNZSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-607
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.918 min
+MS$FOCUSED_ION: BASE_PEAK 574.324
+MS$FOCUSED_ION: PRECURSOR_M/Z 574.3246
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0006-0000900000-f6ea5b57d5f7ba3d3302
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  130.0872 C6H12NO2- 1 130.0874 -1.43
+  399.2392 C21H35O7- 3 399.2388 0.93
+  400.2224 C22H30N3O4- 2 400.2242 -4.56
+  443.2297 C23H31N4O5- 2 443.23 -0.61
+  556.3138 C29H42N5O6- 1 556.3141 -0.41
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  130.0872 2664849.8 42
+  399.2392 1965414.9 31
+  400.2224 915000.7 14
+  443.2297 62944964 999
+  556.3138 2826873.2 44
+//
diff --git a/Eawag/MSBNK-EAWAG-EC128255.txt b/Eawag/MSBNK-EAWAG-EC128255.txt
new file mode 100644
index 0000000000..5b70116ca5
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC128255.txt
@@ -0,0 +1,66 @@
+ACCESSION: MSBNK-EAWAG-EC128255
+RECORD_TITLE: Namalide B; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1093/femsec/fiaa243
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1282
+CH$NAME: Namalide B
+CH$NAME: (2S,3R)-2-[[(3S,6S,9R)-6-[(2S)-butan-2-yl]-3-[2-(4-hydroxyphenyl)ethyl]-2,5,8-trioxo-1,4,7-triazacyclotridec-9-yl]carbamoylamino]-3-methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C29H45N5O7
+CH$EXACT_MASS: 575.3318988
+CH$SMILES: CC[C@@H]([C@H]1C(N[C@@H](CCC2=CC=C(O)C=C2)C(NCCCC[C@@H](NC(N[C@@H]([C@@H](CC)C)C(O)=O)=O)C(N1)=O)=O)=O)C
+CH$IUPAC: InChI=1S/C29H45N5O7/c1-5-17(3)23-27(38)31-22(15-12-19-10-13-20(35)14-11-19)25(36)30-16-8-7-9-21(26(37)33-23)32-29(41)34-24(28(39)40)18(4)6-2/h10-11,13-14,17-18,21-24,35H,5-9,12,15-16H2,1-4H3,(H,30,36)(H,31,38)(H,33,37)(H,39,40)(H2,32,34,41)/t17-,18+,21+,22-,23-,24-/m0/s1
+CH$LINK: PUBCHEM CID:155801647
+CH$LINK: INCHIKEY BEGARHAEPVBWAE-NSDNVYNZSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-607
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.918 min
+MS$FOCUSED_ION: BASE_PEAK 574.324
+MS$FOCUSED_ION: PRECURSOR_M/Z 574.3246
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0006-0212900000-db8b74d45adf7e4b0c65
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  99.0201 C3H3N2O2- 1 99.02 0.76
+  119.0501 C8H7O- 1 119.0502 -1.17
+  130.0871 C6H12NO2- 1 130.0874 -1.66
+  155.082 C7H11N2O2- 2 155.0826 -3.89
+  274.1546 C12H22N2O5- 1 274.1534 4.32
+  279.1818 C13H27O6- 2 279.1813 1.79
+  289.1548 C16H21N2O3- 2 289.1558 -3.43
+  306.1812 C16H24N3O3- 1 306.1823 -3.73
+  323.1713 C15H23N4O4- 2 323.1725 -3.75
+  399.2395 C21H35O7- 2 399.2388 1.69
+  400.2233 C22H30N3O4- 2 400.2242 -2.28
+  443.2296 C23H31N4O5- 2 443.23 -0.89
+PK$NUM_PEAK: 12
+PK$PEAK: m/z int. rel.int.
+  99.0201 564621.7 19
+  119.0501 1173784.2 40
+  130.0871 5704236 199
+  155.082 1260755.5 44
+  274.1546 289908.6 10
+  279.1818 3193922.5 111
+  289.1548 1556424 54
+  306.1812 1219535.9 42
+  323.1713 991536.8 34
+  399.2395 7231683.5 252
+  400.2233 3908239.8 136
+  443.2296 28610240 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC128256.txt b/Eawag/MSBNK-EAWAG-EC128256.txt
new file mode 100644
index 0000000000..91932e7885
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC128256.txt
@@ -0,0 +1,72 @@
+ACCESSION: MSBNK-EAWAG-EC128256
+RECORD_TITLE: Namalide B; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1093/femsec/fiaa243
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1282
+CH$NAME: Namalide B
+CH$NAME: (2S,3R)-2-[[(3S,6S,9R)-6-[(2S)-butan-2-yl]-3-[2-(4-hydroxyphenyl)ethyl]-2,5,8-trioxo-1,4,7-triazacyclotridec-9-yl]carbamoylamino]-3-methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C29H45N5O7
+CH$EXACT_MASS: 575.3318988
+CH$SMILES: CC[C@@H]([C@H]1C(N[C@@H](CCC2=CC=C(O)C=C2)C(NCCCC[C@@H](NC(N[C@@H]([C@@H](CC)C)C(O)=O)=O)C(N1)=O)=O)=O)C
+CH$IUPAC: InChI=1S/C29H45N5O7/c1-5-17(3)23-27(38)31-22(15-12-19-10-13-20(35)14-11-19)25(36)30-16-8-7-9-21(26(37)33-23)32-29(41)34-24(28(39)40)18(4)6-2/h10-11,13-14,17-18,21-24,35H,5-9,12,15-16H2,1-4H3,(H,30,36)(H,31,38)(H,33,37)(H,39,40)(H2,32,34,41)/t17-,18+,21+,22-,23-,24-/m0/s1
+CH$LINK: PUBCHEM CID:155801647
+CH$LINK: INCHIKEY BEGARHAEPVBWAE-NSDNVYNZSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-607
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.918 min
+MS$FOCUSED_ION: BASE_PEAK 574.324
+MS$FOCUSED_ION: PRECURSOR_M/Z 574.3246
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0561-1943300000-db8c29048623311db6bc
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  41.9985 CNO- 1 41.9985 -0.32
+  99.02 C3H3N2O2- 1 99.02 -0.24
+  119.0502 C8H7O- 1 119.0502 -0.27
+  130.0872 C6H12NO2- 1 130.0874 -1.54
+  155.0821 C7H11N2O2- 1 155.0826 -3
+  155.1182 C6H13N5- 2 155.1176 3.73
+  180.0772 C8H10N3O2- 1 180.0779 -3.61
+  219.0765 C9H9N5O2- 2 219.0762 1.36
+  279.1819 C13H27O6- 2 279.1813 2.23
+  289.1548 C16H21N2O3- 2 289.1558 -3.22
+  306.1818 C16H24N3O3- 1 306.1823 -1.74
+  314.1503 C17H20N3O3- 1 314.151 -2.21
+  399.2396 C21H35O7- 3 399.2388 2
+  400.2242 C22H30N3O4- 2 400.2242 -0.06
+  443.2301 C23H31N4O5- 2 443.23 0.15
+PK$NUM_PEAK: 15
+PK$PEAK: m/z int. rel.int.
+  41.9985 771172.4 125
+  99.02 1656457.5 269
+  119.0502 2022378.4 329
+  130.0872 6131458 999
+  155.0821 1660888.4 270
+  155.1182 777114.4 126
+  180.0772 791751.8 129
+  219.0765 979870.1 159
+  279.1819 3289728.2 535
+  289.1548 1140302.1 185
+  306.1818 1723754.6 280
+  314.1503 252366.3 41
+  399.2396 2159150.8 351
+  400.2242 1554673.5 253
+  443.2301 2786542.8 454
+//
diff --git a/Eawag/MSBNK-EAWAG-EC128257.txt b/Eawag/MSBNK-EAWAG-EC128257.txt
new file mode 100644
index 0000000000..fdfc4614f9
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC128257.txt
@@ -0,0 +1,58 @@
+ACCESSION: MSBNK-EAWAG-EC128257
+RECORD_TITLE: Namalide B; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1093/femsec/fiaa243
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1282
+CH$NAME: Namalide B
+CH$NAME: (2S,3R)-2-[[(3S,6S,9R)-6-[(2S)-butan-2-yl]-3-[2-(4-hydroxyphenyl)ethyl]-2,5,8-trioxo-1,4,7-triazacyclotridec-9-yl]carbamoylamino]-3-methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C29H45N5O7
+CH$EXACT_MASS: 575.3318988
+CH$SMILES: CC[C@@H]([C@H]1C(N[C@@H](CCC2=CC=C(O)C=C2)C(NCCCC[C@@H](NC(N[C@@H]([C@@H](CC)C)C(O)=O)=O)C(N1)=O)=O)=O)C
+CH$IUPAC: InChI=1S/C29H45N5O7/c1-5-17(3)23-27(38)31-22(15-12-19-10-13-20(35)14-11-19)25(36)30-16-8-7-9-21(26(37)33-23)32-29(41)34-24(28(39)40)18(4)6-2/h10-11,13-14,17-18,21-24,35H,5-9,12,15-16H2,1-4H3,(H,30,36)(H,31,38)(H,33,37)(H,39,40)(H2,32,34,41)/t17-,18+,21+,22-,23-,24-/m0/s1
+CH$LINK: PUBCHEM CID:155801647
+CH$LINK: INCHIKEY BEGARHAEPVBWAE-NSDNVYNZSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-607
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.918 min
+MS$FOCUSED_ION: BASE_PEAK 574.324
+MS$FOCUSED_ION: PRECURSOR_M/Z 574.3246
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-001i-2900000000-c0874d031abb983010ce
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  41.9986 CNO- 1 41.9985 0.41
+  99.02 C3H3N2O2- 1 99.02 0.14
+  119.0501 C8H7O- 1 119.0502 -1.24
+  130.0872 C6H12NO2- 1 130.0874 -1.54
+  155.0823 C7H11N2O2- 1 155.0826 -1.82
+  155.1182 C6H13N5- 1 155.1176 3.63
+  169.0976 C8H13N2O2- 2 169.0983 -4.04
+  291.1819 C14H27O6- 2 291.1813 2.16
+PK$NUM_PEAK: 8
+PK$PEAK: m/z int. rel.int.
+  41.9986 971003.9 166
+  99.02 1634911.8 281
+  119.0501 2113429 363
+  130.0872 5810735.5 999
+  155.0823 1429851.2 245
+  155.1182 1297132.8 223
+  169.0976 330537 56
+  291.1819 452431.2 77
+//
diff --git a/Eawag/MSBNK-EAWAG-EC128258.txt b/Eawag/MSBNK-EAWAG-EC128258.txt
new file mode 100644
index 0000000000..c9f8c4dc89
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC128258.txt
@@ -0,0 +1,54 @@
+ACCESSION: MSBNK-EAWAG-EC128258
+RECORD_TITLE: Namalide B; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1093/femsec/fiaa243
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1282
+CH$NAME: Namalide B
+CH$NAME: (2S,3R)-2-[[(3S,6S,9R)-6-[(2S)-butan-2-yl]-3-[2-(4-hydroxyphenyl)ethyl]-2,5,8-trioxo-1,4,7-triazacyclotridec-9-yl]carbamoylamino]-3-methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C29H45N5O7
+CH$EXACT_MASS: 575.3318988
+CH$SMILES: CC[C@@H]([C@H]1C(N[C@@H](CCC2=CC=C(O)C=C2)C(NCCCC[C@@H](NC(N[C@@H]([C@@H](CC)C)C(O)=O)=O)C(N1)=O)=O)=O)C
+CH$IUPAC: InChI=1S/C29H45N5O7/c1-5-17(3)23-27(38)31-22(15-12-19-10-13-20(35)14-11-19)25(36)30-16-8-7-9-21(26(37)33-23)32-29(41)34-24(28(39)40)18(4)6-2/h10-11,13-14,17-18,21-24,35H,5-9,12,15-16H2,1-4H3,(H,30,36)(H,31,38)(H,33,37)(H,39,40)(H2,32,34,41)/t17-,18+,21+,22-,23-,24-/m0/s1
+CH$LINK: PUBCHEM CID:155801647
+CH$LINK: INCHIKEY BEGARHAEPVBWAE-NSDNVYNZSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-607
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.918 min
+MS$FOCUSED_ION: BASE_PEAK 574.324
+MS$FOCUSED_ION: PRECURSOR_M/Z 574.3246
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-001i-2900000000-1e83e2ac796d59aa3ac8
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  41.9986 CNO- 1 41.9985 0.31
+  99.02 C3H3N2O2- 1 99.02 0.14
+  119.0501 C8H7O- 1 119.0502 -1.24
+  130.0871 C6H12NO2- 1 130.0874 -2.25
+  155.0821 C7H11N2O2- 1 155.0826 -3
+  155.1179 C6H13N5- 1 155.1176 1.96
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  41.9986 1268680.1 300
+  99.02 1346482.4 319
+  119.0501 2023820.8 479
+  130.0871 4215784 999
+  155.0821 879686.1 208
+  155.1179 880495.4 208
+//
diff --git a/Eawag/MSBNK-EAWAG-EC128259.txt b/Eawag/MSBNK-EAWAG-EC128259.txt
new file mode 100644
index 0000000000..ba712aede2
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC128259.txt
@@ -0,0 +1,48 @@
+ACCESSION: MSBNK-EAWAG-EC128259
+RECORD_TITLE: Namalide B; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1093/femsec/fiaa243
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1282
+CH$NAME: Namalide B
+CH$NAME: (2S,3R)-2-[[(3S,6S,9R)-6-[(2S)-butan-2-yl]-3-[2-(4-hydroxyphenyl)ethyl]-2,5,8-trioxo-1,4,7-triazacyclotridec-9-yl]carbamoylamino]-3-methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C29H45N5O7
+CH$EXACT_MASS: 575.3318988
+CH$SMILES: CC[C@@H]([C@H]1C(N[C@@H](CCC2=CC=C(O)C=C2)C(NCCCC[C@@H](NC(N[C@@H]([C@@H](CC)C)C(O)=O)=O)C(N1)=O)=O)=O)C
+CH$IUPAC: InChI=1S/C29H45N5O7/c1-5-17(3)23-27(38)31-22(15-12-19-10-13-20(35)14-11-19)25(36)30-16-8-7-9-21(26(37)33-23)32-29(41)34-24(28(39)40)18(4)6-2/h10-11,13-14,17-18,21-24,35H,5-9,12,15-16H2,1-4H3,(H,30,36)(H,31,38)(H,33,37)(H,39,40)(H2,32,34,41)/t17-,18+,21+,22-,23-,24-/m0/s1
+CH$LINK: PUBCHEM CID:155801647
+CH$LINK: INCHIKEY BEGARHAEPVBWAE-NSDNVYNZSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-607
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.918 min
+MS$FOCUSED_ION: BASE_PEAK 574.324
+MS$FOCUSED_ION: PRECURSOR_M/Z 574.3246
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00lr-1900000000-30c43ea31f1592074e79
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  99.0199 C3H3N2O2- 1 99.02 -1.09
+  119.0501 C8H7O- 1 119.0502 -1.11
+  130.0871 C6H12NO2- 1 130.0874 -1.66
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  99.0199 960094.3 336
+  119.0501 1871162.9 656
+  130.0871 2846939.2 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC133201.txt b/Eawag/MSBNK-EAWAG-EC133201.txt
new file mode 100644
index 0000000000..d17f05fe25
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC133201.txt
@@ -0,0 +1,50 @@
+ACCESSION: MSBNK-EAWAG-EC133201
+RECORD_TITLE: Muscoride A; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], D. Fewer [dtc], J. Jokela [dtc], M. Wahlsten [dtc], T. Shishido [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1332
+CH$NAME: Muscoride A
+CH$NAME: 3-methylbut-2-enyl 5-methyl-2-[5-methyl-2-[1-[3-methyl-2-(2-methylbut-3-en-2-ylamino)butanoyl]pyrrolidin-2-yl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C28H40N4O5
+CH$EXACT_MASS: 512.2998704
+CH$SMILES: CC1=C(C2=NC(C(OC/C=C(C)\C)=O)=C(C)O2)N=C(C3CCCN3C(C(NC(C)(C=C)C)C(C)C)=O)O1
+CH$IUPAC: InChI=1S/C28H40N4O5/c1-10-28(8,9)31-21(17(4)5)26(33)32-14-11-12-20(32)24-29-22(18(6)36-24)25-30-23(19(7)37-25)27(34)35-15-13-16(2)3/h10,13,17,20-21,31H,1,11-12,14-15H2,2-9H3
+CH$LINK: PUBCHEM CID:496385
+CH$LINK: INCHIKEY PFXJYHPNSWNJBP-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 434599
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-545
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.115 min
+MS$FOCUSED_ION: BASE_PEAK 132.9582
+MS$FOCUSED_ION: PRECURSOR_M/Z 513.3071
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0002-0000930000-c81e2528e290f16d081a
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  278.1129 C13H16N3O4+ 1 278.1135 -2.38
+  377.1824 C18H25N4O5+ 1 377.1819 1.28
+  445.2448 C23H33N4O5+ 1 445.2445 0.46
+  513.3074 C28H41N4O5+ 1 513.3071 0.44
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  278.1129 11056.2 12
+  377.1824 73111.9 80
+  445.2448 912061.1 999
+  513.3074 379998.1 416
+//
diff --git a/Eawag/MSBNK-EAWAG-EC133202.txt b/Eawag/MSBNK-EAWAG-EC133202.txt
new file mode 100644
index 0000000000..56db4bd136
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC133202.txt
@@ -0,0 +1,52 @@
+ACCESSION: MSBNK-EAWAG-EC133202
+RECORD_TITLE: Muscoride A; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], D. Fewer [dtc], J. Jokela [dtc], M. Wahlsten [dtc], T. Shishido [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1332
+CH$NAME: Muscoride A
+CH$NAME: 3-methylbut-2-enyl 5-methyl-2-[5-methyl-2-[1-[3-methyl-2-(2-methylbut-3-en-2-ylamino)butanoyl]pyrrolidin-2-yl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C28H40N4O5
+CH$EXACT_MASS: 512.2998704
+CH$SMILES: CC1=C(C2=NC(C(OC/C=C(C)\C)=O)=C(C)O2)N=C(C3CCCN3C(C(NC(C)(C=C)C)C(C)C)=O)O1
+CH$IUPAC: InChI=1S/C28H40N4O5/c1-10-28(8,9)31-21(17(4)5)26(33)32-14-11-12-20(32)24-29-22(18(6)36-24)25-30-23(19(7)37-25)27(34)35-15-13-16(2)3/h10,13,17,20-21,31H,1,11-12,14-15H2,2-9H3
+CH$LINK: PUBCHEM CID:496385
+CH$LINK: INCHIKEY PFXJYHPNSWNJBP-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 434599
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-545
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.115 min
+MS$FOCUSED_ION: BASE_PEAK 132.9582
+MS$FOCUSED_ION: PRECURSOR_M/Z 513.3071
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-002b-0014900000-93cbac9143be5fe17843
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  140.1437 C9H18N+ 1 140.1434 2.36
+  278.1132 C13H16N3O4+ 1 278.1135 -1.07
+  346.1755 C18H24N3O4+ 1 346.1761 -1.8
+  377.182 C18H25N4O5+ 1 377.1819 0.23
+  445.2448 C23H33N4O5+ 1 445.2445 0.6
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  140.1437 18009.8 24
+  278.1132 156623.4 214
+  346.1755 36815.9 50
+  377.182 348320.4 475
+  445.2448 731135.1 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC133203.txt b/Eawag/MSBNK-EAWAG-EC133203.txt
new file mode 100644
index 0000000000..db5a224e02
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC133203.txt
@@ -0,0 +1,54 @@
+ACCESSION: MSBNK-EAWAG-EC133203
+RECORD_TITLE: Muscoride A; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], D. Fewer [dtc], J. Jokela [dtc], M. Wahlsten [dtc], T. Shishido [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1332
+CH$NAME: Muscoride A
+CH$NAME: 3-methylbut-2-enyl 5-methyl-2-[5-methyl-2-[1-[3-methyl-2-(2-methylbut-3-en-2-ylamino)butanoyl]pyrrolidin-2-yl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C28H40N4O5
+CH$EXACT_MASS: 512.2998704
+CH$SMILES: CC1=C(C2=NC(C(OC/C=C(C)\C)=O)=C(C)O2)N=C(C3CCCN3C(C(NC(C)(C=C)C)C(C)C)=O)O1
+CH$IUPAC: InChI=1S/C28H40N4O5/c1-10-28(8,9)31-21(17(4)5)26(33)32-14-11-12-20(32)24-29-22(18(6)36-24)25-30-23(19(7)37-25)27(34)35-15-13-16(2)3/h10,13,17,20-21,31H,1,11-12,14-15H2,2-9H3
+CH$LINK: PUBCHEM CID:496385
+CH$LINK: INCHIKEY PFXJYHPNSWNJBP-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 434599
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-545
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.115 min
+MS$FOCUSED_ION: BASE_PEAK 132.9582
+MS$FOCUSED_ION: PRECURSOR_M/Z 513.3071
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-004i-1098500000-6a172c7544591a97e000
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  69.0698 C5H9+ 1 69.0699 -0.97
+  70.0652 C4H8N+ 1 70.0651 0.46
+  140.1434 C9H18N+ 1 140.1434 0.4
+  278.1135 C13H16N3O4+ 2 278.1135 0.03
+  377.1821 C18H25N4O5+ 1 377.1819 0.39
+  445.2444 C23H33N4O5+ 1 445.2445 -0.22
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  69.0698 37029.6 71
+  70.0652 71507.4 137
+  140.1434 21701 41
+  278.1135 519491 999
+  377.1821 478084.7 919
+  445.2444 298213.4 573
+//
diff --git a/Eawag/MSBNK-EAWAG-EC133204.txt b/Eawag/MSBNK-EAWAG-EC133204.txt
new file mode 100644
index 0000000000..7978424323
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC133204.txt
@@ -0,0 +1,56 @@
+ACCESSION: MSBNK-EAWAG-EC133204
+RECORD_TITLE: Muscoride A; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], D. Fewer [dtc], J. Jokela [dtc], M. Wahlsten [dtc], T. Shishido [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1332
+CH$NAME: Muscoride A
+CH$NAME: 3-methylbut-2-enyl 5-methyl-2-[5-methyl-2-[1-[3-methyl-2-(2-methylbut-3-en-2-ylamino)butanoyl]pyrrolidin-2-yl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C28H40N4O5
+CH$EXACT_MASS: 512.2998704
+CH$SMILES: CC1=C(C2=NC(C(OC/C=C(C)\C)=O)=C(C)O2)N=C(C3CCCN3C(C(NC(C)(C=C)C)C(C)C)=O)O1
+CH$IUPAC: InChI=1S/C28H40N4O5/c1-10-28(8,9)31-21(17(4)5)26(33)32-14-11-12-20(32)24-29-22(18(6)36-24)25-30-23(19(7)37-25)27(34)35-15-13-16(2)3/h10,13,17,20-21,31H,1,11-12,14-15H2,2-9H3
+CH$LINK: PUBCHEM CID:496385
+CH$LINK: INCHIKEY PFXJYHPNSWNJBP-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 434599
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-545
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.115 min
+MS$FOCUSED_ION: BASE_PEAK 132.9582
+MS$FOCUSED_ION: PRECURSOR_M/Z 513.3071
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-004i-4092000000-df8cf4cd6ddda9987a40
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  69.0699 C5H9+ 1 69.0699 0.46
+  70.0652 C4H8N+ 1 70.0651 1.12
+  72.0807 C4H10N+ 1 72.0808 -1.41
+  140.1434 C9H18N+ 1 140.1434 0.07
+  209.0557 C9H9N2O4+ 1 209.0557 -0.06
+  278.1138 C13H16N3O4+ 2 278.1135 1.13
+  377.1821 C18H25N4O5+ 1 377.1819 0.47
+PK$NUM_PEAK: 7
+PK$PEAK: m/z int. rel.int.
+  69.0699 77324.3 118
+  70.0652 275383.7 421
+  72.0807 48160.3 73
+  140.1434 29577.2 45
+  209.0557 115354.9 176
+  278.1138 653112.7 999
+  377.1821 233597.5 357
+//
diff --git a/Eawag/MSBNK-EAWAG-EC133205.txt b/Eawag/MSBNK-EAWAG-EC133205.txt
new file mode 100644
index 0000000000..c3232decd0
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC133205.txt
@@ -0,0 +1,56 @@
+ACCESSION: MSBNK-EAWAG-EC133205
+RECORD_TITLE: Muscoride A; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], D. Fewer [dtc], J. Jokela [dtc], M. Wahlsten [dtc], T. Shishido [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1332
+CH$NAME: Muscoride A
+CH$NAME: 3-methylbut-2-enyl 5-methyl-2-[5-methyl-2-[1-[3-methyl-2-(2-methylbut-3-en-2-ylamino)butanoyl]pyrrolidin-2-yl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C28H40N4O5
+CH$EXACT_MASS: 512.2998704
+CH$SMILES: CC1=C(C2=NC(C(OC/C=C(C)\C)=O)=C(C)O2)N=C(C3CCCN3C(C(NC(C)(C=C)C)C(C)C)=O)O1
+CH$IUPAC: InChI=1S/C28H40N4O5/c1-10-28(8,9)31-21(17(4)5)26(33)32-14-11-12-20(32)24-29-22(18(6)36-24)25-30-23(19(7)37-25)27(34)35-15-13-16(2)3/h10,13,17,20-21,31H,1,11-12,14-15H2,2-9H3
+CH$LINK: PUBCHEM CID:496385
+CH$LINK: INCHIKEY PFXJYHPNSWNJBP-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 434599
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-545
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.115 min
+MS$FOCUSED_ION: BASE_PEAK 132.9582
+MS$FOCUSED_ION: PRECURSOR_M/Z 513.3071
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-00di-9050000000-9c3d792efc2d165b0379
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  69.0699 C5H9+ 1 69.0699 0.57
+  70.0651 C4H8N+ 1 70.0651 0.24
+  72.0808 C4H10N+ 1 72.0808 -0.04
+  209.0557 C9H9N2O4+ 1 209.0557 -0.13
+  261.0865 C13H13N2O4+ 1 261.087 -1.99
+  278.1139 C13H16N3O4+ 2 278.1135 1.35
+  377.1834 C18H25N4O5+ 1 377.1819 3.95
+PK$NUM_PEAK: 7
+PK$PEAK: m/z int. rel.int.
+  69.0699 126070.1 196
+  70.0651 642219.1 999
+  72.0808 94428.2 146
+  209.0557 292715.9 455
+  261.0865 13451.2 20
+  278.1139 187471.8 291
+  377.1834 14317.9 22
+//
diff --git a/Eawag/MSBNK-EAWAG-EC133206.txt b/Eawag/MSBNK-EAWAG-EC133206.txt
new file mode 100644
index 0000000000..f763b58506
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC133206.txt
@@ -0,0 +1,52 @@
+ACCESSION: MSBNK-EAWAG-EC133206
+RECORD_TITLE: Muscoride A; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], D. Fewer [dtc], J. Jokela [dtc], M. Wahlsten [dtc], T. Shishido [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1332
+CH$NAME: Muscoride A
+CH$NAME: 3-methylbut-2-enyl 5-methyl-2-[5-methyl-2-[1-[3-methyl-2-(2-methylbut-3-en-2-ylamino)butanoyl]pyrrolidin-2-yl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C28H40N4O5
+CH$EXACT_MASS: 512.2998704
+CH$SMILES: CC1=C(C2=NC(C(OC/C=C(C)\C)=O)=C(C)O2)N=C(C3CCCN3C(C(NC(C)(C=C)C)C(C)C)=O)O1
+CH$IUPAC: InChI=1S/C28H40N4O5/c1-10-28(8,9)31-21(17(4)5)26(33)32-14-11-12-20(32)24-29-22(18(6)36-24)25-30-23(19(7)37-25)27(34)35-15-13-16(2)3/h10,13,17,20-21,31H,1,11-12,14-15H2,2-9H3
+CH$LINK: PUBCHEM CID:496385
+CH$LINK: INCHIKEY PFXJYHPNSWNJBP-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 434599
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-545
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.115 min
+MS$FOCUSED_ION: BASE_PEAK 132.9582
+MS$FOCUSED_ION: PRECURSOR_M/Z 513.3071
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-00di-9030000000-9eccc63783b5e42e320f
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  69.0699 C5H9+ 1 69.0699 0.46
+  70.0652 C4H8N+ 1 70.0651 0.57
+  72.0808 C4H10N+ 1 72.0808 -0.14
+  209.0557 C9H9N2O4+ 1 209.0557 -0.06
+  261.087 C13H13N2O4+ 1 261.087 0.11
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  69.0699 130373.9 209
+  70.0652 621904.1 999
+  72.0808 155885.9 250
+  209.0557 360050.9 578
+  261.087 22946.7 36
+//
diff --git a/Eawag/MSBNK-EAWAG-EC133207.txt b/Eawag/MSBNK-EAWAG-EC133207.txt
new file mode 100644
index 0000000000..43d9a3e902
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC133207.txt
@@ -0,0 +1,54 @@
+ACCESSION: MSBNK-EAWAG-EC133207
+RECORD_TITLE: Muscoride A; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], D. Fewer [dtc], J. Jokela [dtc], M. Wahlsten [dtc], T. Shishido [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1332
+CH$NAME: Muscoride A
+CH$NAME: 3-methylbut-2-enyl 5-methyl-2-[5-methyl-2-[1-[3-methyl-2-(2-methylbut-3-en-2-ylamino)butanoyl]pyrrolidin-2-yl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C28H40N4O5
+CH$EXACT_MASS: 512.2998704
+CH$SMILES: CC1=C(C2=NC(C(OC/C=C(C)\C)=O)=C(C)O2)N=C(C3CCCN3C(C(NC(C)(C=C)C)C(C)C)=O)O1
+CH$IUPAC: InChI=1S/C28H40N4O5/c1-10-28(8,9)31-21(17(4)5)26(33)32-14-11-12-20(32)24-29-22(18(6)36-24)25-30-23(19(7)37-25)27(34)35-15-13-16(2)3/h10,13,17,20-21,31H,1,11-12,14-15H2,2-9H3
+CH$LINK: PUBCHEM CID:496385
+CH$LINK: INCHIKEY PFXJYHPNSWNJBP-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 434599
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-545
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.115 min
+MS$FOCUSED_ION: BASE_PEAK 132.9582
+MS$FOCUSED_ION: PRECURSOR_M/Z 513.3071
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-05fr-9030000000-5f56cf73cfdd47e467c1
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  55.0542 C4H7+ 1 55.0542 -0.04
+  69.0699 C5H9+ 1 69.0699 -0.09
+  70.0651 C4H8N+ 1 70.0651 0.24
+  72.0808 C4H10N+ 1 72.0808 0.28
+  209.0556 C9H9N2O4+ 1 209.0557 -0.57
+  261.0871 C13H13N2O4+ 1 261.087 0.58
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  55.0542 18530.5 32
+  69.0699 148674.8 260
+  70.0651 569311.4 999
+  72.0808 145684 255
+  209.0556 367137.4 644
+  261.0871 20661.9 36
+//
diff --git a/Eawag/MSBNK-EAWAG-EC133208.txt b/Eawag/MSBNK-EAWAG-EC133208.txt
new file mode 100644
index 0000000000..0daa475dfa
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC133208.txt
@@ -0,0 +1,54 @@
+ACCESSION: MSBNK-EAWAG-EC133208
+RECORD_TITLE: Muscoride A; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], D. Fewer [dtc], J. Jokela [dtc], M. Wahlsten [dtc], T. Shishido [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1332
+CH$NAME: Muscoride A
+CH$NAME: 3-methylbut-2-enyl 5-methyl-2-[5-methyl-2-[1-[3-methyl-2-(2-methylbut-3-en-2-ylamino)butanoyl]pyrrolidin-2-yl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C28H40N4O5
+CH$EXACT_MASS: 512.2998704
+CH$SMILES: CC1=C(C2=NC(C(OC/C=C(C)\C)=O)=C(C)O2)N=C(C3CCCN3C(C(NC(C)(C=C)C)C(C)C)=O)O1
+CH$IUPAC: InChI=1S/C28H40N4O5/c1-10-28(8,9)31-21(17(4)5)26(33)32-14-11-12-20(32)24-29-22(18(6)36-24)25-30-23(19(7)37-25)27(34)35-15-13-16(2)3/h10,13,17,20-21,31H,1,11-12,14-15H2,2-9H3
+CH$LINK: PUBCHEM CID:496385
+CH$LINK: INCHIKEY PFXJYHPNSWNJBP-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 434599
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-545
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.115 min
+MS$FOCUSED_ION: BASE_PEAK 132.9582
+MS$FOCUSED_ION: PRECURSOR_M/Z 513.3071
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-00di-9030000000-8a317642cb9f30f36e13
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  55.0542 C4H7+ 1 55.0542 -0.39
+  69.0699 C5H9+ 1 69.0699 0.24
+  70.0651 C4H8N+ 1 70.0651 -0.08
+  72.0808 C4H10N+ 1 72.0808 0.39
+  121.0399 C6H5N2O+ 1 121.0396 1.93
+  209.0556 C9H9N2O4+ 1 209.0557 -0.28
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  55.0542 38542.5 70
+  69.0699 117065.3 214
+  70.0651 545041.9 999
+  72.0808 135999.5 249
+  121.0399 23071 42
+  209.0556 291258.2 533
+//
diff --git a/Eawag/MSBNK-EAWAG-EC133209.txt b/Eawag/MSBNK-EAWAG-EC133209.txt
new file mode 100644
index 0000000000..ff94ee0737
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC133209.txt
@@ -0,0 +1,54 @@
+ACCESSION: MSBNK-EAWAG-EC133209
+RECORD_TITLE: Muscoride A; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], D. Fewer [dtc], J. Jokela [dtc], M. Wahlsten [dtc], T. Shishido [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1332
+CH$NAME: Muscoride A
+CH$NAME: 3-methylbut-2-enyl 5-methyl-2-[5-methyl-2-[1-[3-methyl-2-(2-methylbut-3-en-2-ylamino)butanoyl]pyrrolidin-2-yl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C28H40N4O5
+CH$EXACT_MASS: 512.2998704
+CH$SMILES: CC1=C(C2=NC(C(OC/C=C(C)\C)=O)=C(C)O2)N=C(C3CCCN3C(C(NC(C)(C=C)C)C(C)C)=O)O1
+CH$IUPAC: InChI=1S/C28H40N4O5/c1-10-28(8,9)31-21(17(4)5)26(33)32-14-11-12-20(32)24-29-22(18(6)36-24)25-30-23(19(7)37-25)27(34)35-15-13-16(2)3/h10,13,17,20-21,31H,1,11-12,14-15H2,2-9H3
+CH$LINK: PUBCHEM CID:496385
+CH$LINK: INCHIKEY PFXJYHPNSWNJBP-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 434599
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-545
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.115 min
+MS$FOCUSED_ION: BASE_PEAK 132.9582
+MS$FOCUSED_ION: PRECURSOR_M/Z 513.3071
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-00di-9120000000-ff75a1a52115f6acf51e
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  55.0543 C4H7+ 1 55.0542 0.86
+  69.0698 C5H9+ 1 69.0699 -0.86
+  70.0651 C4H8N+ 1 70.0651 -0.19
+  72.0808 C4H10N+ 1 72.0808 0.28
+  121.0395 C6H5N2O+ 1 121.0396 -0.78
+  209.0555 C9H9N2O4+ 1 209.0557 -0.64
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  55.0543 46449.5 107
+  69.0698 81025.9 188
+  70.0651 430420.7 999
+  72.0808 116273.2 269
+  121.0395 75348.2 174
+  209.0555 161043.4 373
+//
diff --git a/Eawag/MSBNK-EAWAG-EC140201.txt b/Eawag/MSBNK-EAWAG-EC140201.txt
new file mode 100644
index 0000000000..d237c0e2d3
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC140201.txt
@@ -0,0 +1,44 @@
+ACCESSION: MSBNK-EAWAG-EC140201
+RECORD_TITLE: Aerucyclamide D; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 1402
+CH$NAME: Aerucyclamide D
+CH$NAME: (1R,4S,7R,8S,18S)-4-benzyl-7-methyl-18-(2-methylsulfanylethyl)-6-oxa-13,20-dithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.15,8.112,15]tetracosa-5(24),12(23),14,19(22)-tetraene-2,9,16-trione
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C26H30N6O4S3
+CH$EXACT_MASS: 586.1490664
+CH$SMILES: C[C@@H]1[C@H]2C(=O)NCC3=NC(=CS3)C(=O)N[C@H](C4=N[C@@H](CS4)C(=O)N[C@H](C(=N2)O1)CC5=CC=CC=C5)CCSC
+CH$IUPAC: InChI=1S/C26H30N6O4S3/c1-14-21-24(35)27-11-20-28-18(12-38-20)22(33)29-16(8-9-37-2)26-31-19(13-39-26)23(34)30-17(25(32-21)36-14)10-15-6-4-3-5-7-15/h3-7,12,14,16-17,19,21H,8-11,13H2,1-2H3,(H,27,35)(H,29,33)(H,30,34)/t14-,16+,17+,19+,21+/m1/s1
+CH$LINK: PUBCHEM CID:25156432
+CH$LINK: INCHIKEY MLBROOJXUZKDHY-PKPICYNOSA-N
+CH$LINK: CHEMSPIDER 24641545
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-620
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.327 min
+MS$FOCUSED_ION: BASE_PEAK 587.1559
+MS$FOCUSED_ION: PRECURSOR_M/Z 587.1563
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-000i-0000090000-8bec5102946ac625f620
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  587.1559 C26H31N6O4S3+ 1 587.1563 -0.78
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  587.1559 7246524 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC140202.txt b/Eawag/MSBNK-EAWAG-EC140202.txt
new file mode 100644
index 0000000000..3a1f7bc4fe
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC140202.txt
@@ -0,0 +1,46 @@
+ACCESSION: MSBNK-EAWAG-EC140202
+RECORD_TITLE: Aerucyclamide D; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 1402
+CH$NAME: Aerucyclamide D
+CH$NAME: (1R,4S,7R,8S,18S)-4-benzyl-7-methyl-18-(2-methylsulfanylethyl)-6-oxa-13,20-dithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.15,8.112,15]tetracosa-5(24),12(23),14,19(22)-tetraene-2,9,16-trione
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C26H30N6O4S3
+CH$EXACT_MASS: 586.1490664
+CH$SMILES: C[C@@H]1[C@H]2C(=O)NCC3=NC(=CS3)C(=O)N[C@H](C4=N[C@@H](CS4)C(=O)N[C@H](C(=N2)O1)CC5=CC=CC=C5)CCSC
+CH$IUPAC: InChI=1S/C26H30N6O4S3/c1-14-21-24(35)27-11-20-28-18(12-38-20)22(33)29-16(8-9-37-2)26-31-19(13-39-26)23(34)30-17(25(32-21)36-14)10-15-6-4-3-5-7-15/h3-7,12,14,16-17,19,21H,8-11,13H2,1-2H3,(H,27,35)(H,29,33)(H,30,34)/t14-,16+,17+,19+,21+/m1/s1
+CH$LINK: PUBCHEM CID:25156432
+CH$LINK: INCHIKEY MLBROOJXUZKDHY-PKPICYNOSA-N
+CH$LINK: CHEMSPIDER 24641545
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-620
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.327 min
+MS$FOCUSED_ION: BASE_PEAK 587.1559
+MS$FOCUSED_ION: PRECURSOR_M/Z 587.1563
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-000i-0000090000-c678ecac3bbaae64f7d9
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  539.1526 C25H27N6O4S2+ 1 539.153 -0.66
+  587.1559 C26H31N6O4S3+ 1 587.1563 -0.68
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  539.1526 233837.8 39
+  587.1559 5978586.5 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC140203.txt b/Eawag/MSBNK-EAWAG-EC140203.txt
new file mode 100644
index 0000000000..431ac9dfa5
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC140203.txt
@@ -0,0 +1,54 @@
+ACCESSION: MSBNK-EAWAG-EC140203
+RECORD_TITLE: Aerucyclamide D; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 1402
+CH$NAME: Aerucyclamide D
+CH$NAME: (1R,4S,7R,8S,18S)-4-benzyl-7-methyl-18-(2-methylsulfanylethyl)-6-oxa-13,20-dithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.15,8.112,15]tetracosa-5(24),12(23),14,19(22)-tetraene-2,9,16-trione
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C26H30N6O4S3
+CH$EXACT_MASS: 586.1490664
+CH$SMILES: C[C@@H]1[C@H]2C(=O)NCC3=NC(=CS3)C(=O)N[C@H](C4=N[C@@H](CS4)C(=O)N[C@H](C(=N2)O1)CC5=CC=CC=C5)CCSC
+CH$IUPAC: InChI=1S/C26H30N6O4S3/c1-14-21-24(35)27-11-20-28-18(12-38-20)22(33)29-16(8-9-37-2)26-31-19(13-39-26)23(34)30-17(25(32-21)36-14)10-15-6-4-3-5-7-15/h3-7,12,14,16-17,19,21H,8-11,13H2,1-2H3,(H,27,35)(H,29,33)(H,30,34)/t14-,16+,17+,19+,21+/m1/s1
+CH$LINK: PUBCHEM CID:25156432
+CH$LINK: INCHIKEY MLBROOJXUZKDHY-PKPICYNOSA-N
+CH$LINK: CHEMSPIDER 24641545
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-620
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.327 min
+MS$FOCUSED_ION: BASE_PEAK 587.1559
+MS$FOCUSED_ION: PRECURSOR_M/Z 587.1563
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-000i-0000090000-0021ab7ce7243dbb2960
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  84.0445 C4H6NO+ 1 84.0444 0.78
+  120.0807 C8H10N+ 1 120.0808 -0.38
+  476.1237 C21H26N5O2S3+ 4 476.1243 -1.38
+  539.1528 C25H27N6O4S2+ 1 539.153 -0.32
+  569.1459 C26H29N6O3S3+ 1 569.1458 0.15
+  587.156 C26H31N6O4S3+ 1 587.1563 -0.57
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  84.0445 66523.3 19
+  120.0807 55283.2 16
+  476.1237 257873.6 76
+  539.1528 725381.9 214
+  569.1459 391104.6 115
+  587.156 3379913.5 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC140204.txt b/Eawag/MSBNK-EAWAG-EC140204.txt
new file mode 100644
index 0000000000..b4f832fe51
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC140204.txt
@@ -0,0 +1,64 @@
+ACCESSION: MSBNK-EAWAG-EC140204
+RECORD_TITLE: Aerucyclamide D; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 1402
+CH$NAME: Aerucyclamide D
+CH$NAME: (1R,4S,7R,8S,18S)-4-benzyl-7-methyl-18-(2-methylsulfanylethyl)-6-oxa-13,20-dithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.15,8.112,15]tetracosa-5(24),12(23),14,19(22)-tetraene-2,9,16-trione
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C26H30N6O4S3
+CH$EXACT_MASS: 586.1490664
+CH$SMILES: C[C@@H]1[C@H]2C(=O)NCC3=NC(=CS3)C(=O)N[C@H](C4=N[C@@H](CS4)C(=O)N[C@H](C(=N2)O1)CC5=CC=CC=C5)CCSC
+CH$IUPAC: InChI=1S/C26H30N6O4S3/c1-14-21-24(35)27-11-20-28-18(12-38-20)22(33)29-16(8-9-37-2)26-31-19(13-39-26)23(34)30-17(25(32-21)36-14)10-15-6-4-3-5-7-15/h3-7,12,14,16-17,19,21H,8-11,13H2,1-2H3,(H,27,35)(H,29,33)(H,30,34)/t14-,16+,17+,19+,21+/m1/s1
+CH$LINK: PUBCHEM CID:25156432
+CH$LINK: INCHIKEY MLBROOJXUZKDHY-PKPICYNOSA-N
+CH$LINK: CHEMSPIDER 24641545
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-620
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.327 min
+MS$FOCUSED_ION: BASE_PEAK 587.1559
+MS$FOCUSED_ION: PRECURSOR_M/Z 587.1563
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-000i-0000190000-f7f929f4822c01114415
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  61.0106 C2H5S+ 1 61.0106 -1.39
+  75.0263 C3H7S+ 1 75.0263 0.41
+  84.0443 C4H6NO+ 1 84.0444 -0.67
+  120.0807 C8H10N+ 2 120.0808 -0.76
+  172.0247 C7H10NS2+ 2 172.0249 -1.49
+  271.0887 C7H19N4O3S2+ 3 271.0893 -2.18
+  476.1245 C21H26N5O2S3+ 5 476.1243 0.29
+  516.1199 C23H26N5O3S3+ 3 516.1192 1.3
+  539.1532 C25H27N6O4S2+ 1 539.153 0.36
+  569.1454 C26H29N6O3S3+ 1 569.1458 -0.7
+  587.1564 C26H31N6O4S3+ 1 587.1563 0.15
+PK$NUM_PEAK: 11
+PK$PEAK: m/z int. rel.int.
+  61.0106 34854.4 31
+  75.0263 34586.4 31
+  84.0443 150999.9 136
+  120.0807 141933.2 128
+  172.0247 89847.6 81
+  271.0887 48887.6 44
+  476.1245 519831.7 471
+  516.1199 70974.8 64
+  539.1532 876062.6 793
+  569.1454 423193.8 383
+  587.1564 1102520.5 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC140205.txt b/Eawag/MSBNK-EAWAG-EC140205.txt
new file mode 100644
index 0000000000..deb15ce1c4
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC140205.txt
@@ -0,0 +1,86 @@
+ACCESSION: MSBNK-EAWAG-EC140205
+RECORD_TITLE: Aerucyclamide D; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 1402
+CH$NAME: Aerucyclamide D
+CH$NAME: (1R,4S,7R,8S,18S)-4-benzyl-7-methyl-18-(2-methylsulfanylethyl)-6-oxa-13,20-dithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.15,8.112,15]tetracosa-5(24),12(23),14,19(22)-tetraene-2,9,16-trione
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C26H30N6O4S3
+CH$EXACT_MASS: 586.1490664
+CH$SMILES: C[C@@H]1[C@H]2C(=O)NCC3=NC(=CS3)C(=O)N[C@H](C4=N[C@@H](CS4)C(=O)N[C@H](C(=N2)O1)CC5=CC=CC=C5)CCSC
+CH$IUPAC: InChI=1S/C26H30N6O4S3/c1-14-21-24(35)27-11-20-28-18(12-38-20)22(33)29-16(8-9-37-2)26-31-19(13-39-26)23(34)30-17(25(32-21)36-14)10-15-6-4-3-5-7-15/h3-7,12,14,16-17,19,21H,8-11,13H2,1-2H3,(H,27,35)(H,29,33)(H,30,34)/t14-,16+,17+,19+,21+/m1/s1
+CH$LINK: PUBCHEM CID:25156432
+CH$LINK: INCHIKEY MLBROOJXUZKDHY-PKPICYNOSA-N
+CH$LINK: CHEMSPIDER 24641545
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-620
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.327 min
+MS$FOCUSED_ION: BASE_PEAK 587.1559
+MS$FOCUSED_ION: PRECURSOR_M/Z 587.1563
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00gi-7911320000-378da06268759bf5485d
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  56.0495 C3H6N+ 1 56.0495 -0.3
+  61.0106 C2H5S+ 1 61.0106 -0.77
+  75.0263 C3H7S+ 1 75.0263 0.51
+  84.0444 C4H6NO+ 1 84.0444 -0.3
+  91.0544 C7H7+ 1 91.0542 2.15
+  120.0807 C8H10N+ 2 120.0808 -1.02
+  124.0215 C6H6NS+ 1 124.0215 -0.28
+  159.0225 C5H7N2O2S+ 2 159.0223 1.58
+  172.0248 C7H10NS2+ 3 172.0249 -0.78
+  172.0763 C5H16O4S+ 2 172.0764 -0.22
+  185.0013 C6H5N2O3S+ 2 185.0015 -1.36
+  185.0376 C7H9N2O2S+ 1 185.0379 -1.65
+  196.0537 C8H10N3OS+ 3 196.0539 -1.05
+  206.063 C11H12NOS+ 3 206.0634 -2.06
+  224.0482 CH14N5O4S2+ 3 224.0482 0.18
+  233.0736 C4H17N4O3S2+ 3 233.0737 -0.36
+  309.0471 C4H17N6O4S3+ 3 309.0468 1.01
+  376.0535 C15H14N5O3S2+ 5 376.0533 0.66
+  428.1201 C20H22N5O2S2+ 3 428.1209 -1.86
+  476.1245 C21H26N5O2S3+ 5 476.1243 0.48
+  521.142 C25H25N6O3S2+ 1 521.1424 -0.76
+  539.1541 C25H27N6O4S2+ 2 539.153 2.17
+PK$NUM_PEAK: 22
+PK$PEAK: m/z int. rel.int.
+  56.0495 48467.2 131
+  61.0106 241885.8 655
+  75.0263 89138.1 241
+  84.0444 368425.7 999
+  91.0544 22985 62
+  120.0807 345911.8 937
+  124.0215 66283.6 179
+  159.0225 39917.2 108
+  172.0248 167015.3 452
+  172.0763 14865.4 40
+  185.0013 23064.3 62
+  185.0376 38343.9 103
+  196.0537 207280.3 562
+  206.063 55757.3 151
+  224.0482 55974.7 151
+  233.0736 84415 228
+  309.0471 53848.8 146
+  376.0535 47342.8 128
+  428.1201 163990.4 444
+  476.1245 192599.1 522
+  521.142 48732.5 132
+  539.1541 152600.1 413
+//
diff --git a/Eawag/MSBNK-EAWAG-EC140206.txt b/Eawag/MSBNK-EAWAG-EC140206.txt
new file mode 100644
index 0000000000..da45ed85a3
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC140206.txt
@@ -0,0 +1,102 @@
+ACCESSION: MSBNK-EAWAG-EC140206
+RECORD_TITLE: Aerucyclamide D; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 1402
+CH$NAME: Aerucyclamide D
+CH$NAME: (1R,4S,7R,8S,18S)-4-benzyl-7-methyl-18-(2-methylsulfanylethyl)-6-oxa-13,20-dithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.15,8.112,15]tetracosa-5(24),12(23),14,19(22)-tetraene-2,9,16-trione
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C26H30N6O4S3
+CH$EXACT_MASS: 586.1490664
+CH$SMILES: C[C@@H]1[C@H]2C(=O)NCC3=NC(=CS3)C(=O)N[C@H](C4=N[C@@H](CS4)C(=O)N[C@H](C(=N2)O1)CC5=CC=CC=C5)CCSC
+CH$IUPAC: InChI=1S/C26H30N6O4S3/c1-14-21-24(35)27-11-20-28-18(12-38-20)22(33)29-16(8-9-37-2)26-31-19(13-39-26)23(34)30-17(25(32-21)36-14)10-15-6-4-3-5-7-15/h3-7,12,14,16-17,19,21H,8-11,13H2,1-2H3,(H,27,35)(H,29,33)(H,30,34)/t14-,16+,17+,19+,21+/m1/s1
+CH$LINK: PUBCHEM CID:25156432
+CH$LINK: INCHIKEY MLBROOJXUZKDHY-PKPICYNOSA-N
+CH$LINK: CHEMSPIDER 24641545
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-620
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.327 min
+MS$FOCUSED_ION: BASE_PEAK 587.1559
+MS$FOCUSED_ION: PRECURSOR_M/Z 587.1563
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0239-5910000000-569f229c15eb4c096630
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  56.0495 C3H6N+ 1 56.0495 -0.44
+  61.0106 C2H5S+ 1 61.0106 -0.27
+  69.0335 C4H5O+ 1 69.0335 0.57
+  75.0263 C3H7S+ 1 75.0263 0.41
+  84.0444 C4H6NO+ 1 84.0444 0.06
+  86.0059 C3H4NS+ 1 86.0059 -0.36
+  91.0543 C7H7+ 1 91.0542 0.98
+  98.0057 C4H4NS+ 1 98.0059 -2.36
+  112.0216 C5H6NS+ 1 112.0215 0.72
+  120.0807 C8H10N+ 2 120.0808 -0.57
+  124.0213 C6H6NS+ 1 124.0215 -2.31
+  126.0373 C6H8NS+ 2 126.0372 0.65
+  131.0491 C9H7O+ 2 131.0491 -0.64
+  141.012 C5H5N2OS+ 1 141.0117 1.74
+  141.0483 C6H9N2S+ 2 141.0481 1.36
+  155.0272 C6H7N2OS+ 1 155.0274 -1.03
+  158.0962 C11H12N+ 2 158.0964 -1.16
+  159.0221 C5H7N2O2S+ 1 159.0223 -1.3
+  167.0275 C7H7N2OS+ 2 167.0274 0.57
+  172.0242 C7H10NS2+ 1 172.0249 -4.33
+  181.0431 C8H9N2OS+ 3 181.043 0.25
+  185.0018 C6H5N2O3S+ 2 185.0015 1.44
+  185.0373 C7H9N2O2S+ 2 185.0379 -3.47
+  186.0914 C12H12NO+ 3 186.0913 0.49
+  196.0536 C8H10N3OS+ 3 196.0539 -1.36
+  206.0383 C3H14N2O4S2+ 3 206.039 -3.38
+  224.048 CH14N5O4S2+ 4 224.0482 -0.57
+  236.0487 C18H6N+ 3 236.0495 -3.16
+  243.0584 C11H9N5S+ 4 243.0573 4.57
+  274.0106 C6H14N2O4S3+ 4 274.011 -1.46
+PK$NUM_PEAK: 30
+PK$PEAK: m/z int. rel.int.
+  56.0495 76856.7 124
+  61.0106 614791.8 999
+  69.0335 26360 42
+  75.0263 99898.3 162
+  84.0444 472194.4 767
+  86.0059 46504.3 75
+  91.0543 74021.6 120
+  98.0057 72200.8 117
+  112.0216 35647.1 57
+  120.0807 552419.6 897
+  124.0213 169046 274
+  126.0373 34521 56
+  131.0491 96052.9 156
+  141.012 49857.9 81
+  141.0483 26616.7 43
+  155.0272 40398.6 65
+  158.0962 47762.5 77
+  159.0221 182996.2 297
+  167.0275 56529.8 91
+  172.0242 131951.4 214
+  181.0431 33520.8 54
+  185.0018 147785.8 240
+  185.0373 162227.1 263
+  186.0914 152442.3 247
+  196.0536 340870.1 553
+  206.0383 55039.4 89
+  224.048 119360.4 193
+  236.0487 50366.5 81
+  243.0584 38075.8 61
+  274.0106 41617.5 67
+//
diff --git a/Eawag/MSBNK-EAWAG-EC140207.txt b/Eawag/MSBNK-EAWAG-EC140207.txt
new file mode 100644
index 0000000000..624c3232db
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC140207.txt
@@ -0,0 +1,120 @@
+ACCESSION: MSBNK-EAWAG-EC140207
+RECORD_TITLE: Aerucyclamide D; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 1402
+CH$NAME: Aerucyclamide D
+CH$NAME: (1R,4S,7R,8S,18S)-4-benzyl-7-methyl-18-(2-methylsulfanylethyl)-6-oxa-13,20-dithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.15,8.112,15]tetracosa-5(24),12(23),14,19(22)-tetraene-2,9,16-trione
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C26H30N6O4S3
+CH$EXACT_MASS: 586.1490664
+CH$SMILES: C[C@@H]1[C@H]2C(=O)NCC3=NC(=CS3)C(=O)N[C@H](C4=N[C@@H](CS4)C(=O)N[C@H](C(=N2)O1)CC5=CC=CC=C5)CCSC
+CH$IUPAC: InChI=1S/C26H30N6O4S3/c1-14-21-24(35)27-11-20-28-18(12-38-20)22(33)29-16(8-9-37-2)26-31-19(13-39-26)23(34)30-17(25(32-21)36-14)10-15-6-4-3-5-7-15/h3-7,12,14,16-17,19,21H,8-11,13H2,1-2H3,(H,27,35)(H,29,33)(H,30,34)/t14-,16+,17+,19+,21+/m1/s1
+CH$LINK: PUBCHEM CID:25156432
+CH$LINK: INCHIKEY MLBROOJXUZKDHY-PKPICYNOSA-N
+CH$LINK: CHEMSPIDER 24641545
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-620
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.327 min
+MS$FOCUSED_ION: BASE_PEAK 587.1559
+MS$FOCUSED_ION: PRECURSOR_M/Z 587.1563
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-074r-5900000000-0fab0b4232a15a136fd3
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  56.0494 C3H6N+ 1 56.0495 -2.14
+  61.0106 C2H5S+ 1 61.0106 -0.45
+  69.0335 C4H5O+ 1 69.0335 0.79
+  72.0683 C3H8N2+ 1 72.0682 1.8
+  75.0262 C3H7S+ 1 75.0263 -0.71
+  84.0444 C4H6NO+ 1 84.0444 -0.03
+  86.0059 C3H4NS+ 1 86.0059 0.09
+  91.0544 C7H7+ 1 91.0542 1.65
+  98.0058 C4H4NS+ 1 98.0059 -1.04
+  103.0544 C8H7+ 1 103.0542 1.25
+  105.07 C8H9+ 1 105.0699 0.88
+  112.0215 C5H6NS+ 1 112.0215 -0.17
+  113.0169 C4H5N2S+ 1 113.0168 0.62
+  118.0655 C8H8N+ 2 118.0651 2.91
+  120.0807 C8H10N+ 2 120.0808 -0.57
+  124.0216 C6H6NS+ 1 124.0215 0.15
+  126.0376 C6H8NS+ 2 126.0372 3.26
+  129.9956 C4H4NO2S+ 1 129.9957 -1.01
+  131.049 C9H7O+ 2 131.0491 -1.34
+  141.0118 C5H5N2OS+ 1 141.0117 0.55
+  144.0116 C5H6NO2S+ 1 144.0114 1.88
+  144.081 C10H10N+ 2 144.0808 1.33
+  155.0277 C6H7N2OS+ 2 155.0274 2.32
+  157.0066 C5H5N2O2S+ 2 157.0066 -0.27
+  158.0966 C11H12N+ 2 158.0964 1.15
+  159.0222 C5H7N2O2S+ 2 159.0223 -0.44
+  167.0277 C7H7N2OS+ 2 167.0274 1.76
+  172.0246 C7H10NS2+ 2 172.0249 -1.58
+  172.0758 C11H10NO+ 3 172.0757 0.87
+  179.0275 C8H7N2OS+ 3 179.0274 0.53
+  181.0431 C8H9N2OS+ 3 181.043 0.67
+  185.0015 C6H5N2O3S+ 2 185.0015 0.04
+  185.0367 C5H7N5OS+ 2 185.0366 0.65
+  186.0914 C12H12NO+ 3 186.0913 0.08
+  206.0384 C3H14N2O4S2+ 3 206.039 -2.5
+  207.0226 C9H7N2O2S+ 3 207.0223 1.75
+  243.0583 C11H9N5S+ 4 243.0573 4.01
+  252.0432 C16H4N4+ 4 252.043 0.69
+  274.0098 C4H12N5O3S3+ 4 274.0097 0.54
+PK$NUM_PEAK: 39
+PK$PEAK: m/z int. rel.int.
+  56.0494 150429.7 182
+  61.0106 825611.8 999
+  69.0335 43309.7 52
+  72.0683 19325.3 23
+  75.0262 83534.3 101
+  84.0444 385577.5 466
+  86.0059 90207.6 109
+  91.0544 160790.6 194
+  98.0058 114173.3 138
+  103.0544 56098.6 67
+  105.07 29573.7 35
+  112.0215 72390.2 87
+  113.0169 33868.5 40
+  118.0655 40291.8 48
+  120.0807 648375.9 784
+  124.0216 240373.5 290
+  126.0376 43673.4 52
+  129.9956 29135.8 35
+  131.049 99783.6 120
+  141.0118 97870.8 118
+  144.0116 46401.5 56
+  144.081 50732.8 61
+  155.0277 35251 42
+  157.0066 21604.3 26
+  158.0966 43477.5 52
+  159.0222 412095.5 498
+  167.0277 93227 112
+  172.0246 50075.3 60
+  172.0758 39002.2 47
+  179.0275 41263.7 49
+  181.0431 45753.8 55
+  185.0015 274153.5 331
+  185.0367 191310.2 231
+  186.0914 136439.6 165
+  206.0384 58195.1 70
+  207.0226 35007.3 42
+  243.0583 45912.5 55
+  252.0432 49552.5 59
+  274.0098 31453.6 38
+//
diff --git a/Eawag/MSBNK-EAWAG-EC140208.txt b/Eawag/MSBNK-EAWAG-EC140208.txt
new file mode 100644
index 0000000000..f9c37c0e63
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC140208.txt
@@ -0,0 +1,110 @@
+ACCESSION: MSBNK-EAWAG-EC140208
+RECORD_TITLE: Aerucyclamide D; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 1402
+CH$NAME: Aerucyclamide D
+CH$NAME: (1R,4S,7R,8S,18S)-4-benzyl-7-methyl-18-(2-methylsulfanylethyl)-6-oxa-13,20-dithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.15,8.112,15]tetracosa-5(24),12(23),14,19(22)-tetraene-2,9,16-trione
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C26H30N6O4S3
+CH$EXACT_MASS: 586.1490664
+CH$SMILES: C[C@@H]1[C@H]2C(=O)NCC3=NC(=CS3)C(=O)N[C@H](C4=N[C@@H](CS4)C(=O)N[C@H](C(=N2)O1)CC5=CC=CC=C5)CCSC
+CH$IUPAC: InChI=1S/C26H30N6O4S3/c1-14-21-24(35)27-11-20-28-18(12-38-20)22(33)29-16(8-9-37-2)26-31-19(13-39-26)23(34)30-17(25(32-21)36-14)10-15-6-4-3-5-7-15/h3-7,12,14,16-17,19,21H,8-11,13H2,1-2H3,(H,27,35)(H,29,33)(H,30,34)/t14-,16+,17+,19+,21+/m1/s1
+CH$LINK: PUBCHEM CID:25156432
+CH$LINK: INCHIKEY MLBROOJXUZKDHY-PKPICYNOSA-N
+CH$LINK: CHEMSPIDER 24641545
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-620
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.327 min
+MS$FOCUSED_ION: BASE_PEAK 587.1559
+MS$FOCUSED_ION: PRECURSOR_M/Z 587.1563
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-074i-6900000000-ccb82f07ea10fcd786c6
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  56.0494 C3H6N+ 1 56.0495 -1.32
+  58.9952 C2H3S+ 1 58.995 4.21
+  61.0106 C2H5S+ 1 61.0106 -0.39
+  69.0337 C4H5O+ 1 69.0335 2.45
+  75.0263 C3H7S+ 1 75.0263 0.31
+  80.0494 C5H6N+ 1 80.0495 -0.45
+  84.0444 C4H6NO+ 1 84.0444 -0.03
+  86.006 C3H4NS+ 1 86.0059 1.42
+  91.0542 C7H7+ 1 91.0542 0.06
+  98.006 C4H4NS+ 1 98.0059 0.75
+  103.0542 C8H7+ 1 103.0542 -0.08
+  111.9849 C4H2NOS+ 1 111.9852 -2.48
+  112.0214 C5H6NS+ 1 112.0215 -1.12
+  115.0545 C9H7+ 1 115.0542 2.43
+  120.0807 C8H10N+ 2 120.0808 -0.76
+  124.0215 C6H6NS+ 1 124.0215 -0.22
+  126.0007 C5H4NOS+ 1 126.0008 -0.49
+  126.0373 C6H8NS+ 2 126.0372 1.08
+  129.9954 C4H4NO2S+ 1 129.9957 -2.18
+  130.0651 C9H8N+ 1 130.0651 0.14
+  131.049 C9H7O+ 2 131.0491 -0.87
+  141.0117 C5H5N2OS+ 1 141.0117 -0.42
+  146.0597 C9H8NO+ 2 146.06 -2.17
+  151.0326 C7H7N2S+ 2 151.0324 0.76
+  155.0275 C6H7N2OS+ 2 155.0274 0.84
+  158.0967 C11H12N+ 2 158.0964 1.64
+  159.0221 C5H7N2O2S+ 1 159.0223 -1.4
+  167.0273 C7H7N2OS+ 2 167.0274 -0.35
+  171.0221 C6H7N2O2S+ 2 171.0223 -0.83
+  179.0273 C8H7N2OS+ 3 179.0274 -0.32
+  185.0014 C6H5N2O3S+ 2 185.0015 -0.54
+  186.0911 C12H12NO+ 3 186.0913 -1.07
+  196.0539 C8H10N3OS+ 3 196.0539 0.04
+  206.0382 C3H14N2O4S2+ 3 206.039 -3.46
+PK$NUM_PEAK: 34
+PK$PEAK: m/z int. rel.int.
+  56.0494 196369.7 250
+  58.9952 60942.3 77
+  61.0106 782356.2 999
+  69.0337 56950.1 72
+  75.0263 78480 100
+  80.0494 21507.7 27
+  84.0444 343371.4 438
+  86.006 120105.5 153
+  91.0542 172495.3 220
+  98.006 148487.6 189
+  103.0542 130373.9 166
+  111.9849 82038.6 104
+  112.0214 72276.1 92
+  115.0545 34799.3 44
+  120.0807 642286.4 820
+  124.0215 300737.6 384
+  126.0007 34500.6 44
+  126.0373 34826.8 44
+  129.9954 85275.8 108
+  130.0651 34683.3 44
+  131.049 100849.9 128
+  141.0117 94157.9 120
+  146.0597 29279 37
+  151.0326 31605.4 40
+  155.0275 25354.8 32
+  158.0967 36337.5 46
+  159.0221 413596.6 528
+  167.0273 94165.2 120
+  171.0221 109210 139
+  179.0273 57437.4 73
+  185.0014 332812.6 424
+  186.0911 47462.7 60
+  196.0539 64815.4 82
+  206.0382 33170.6 42
+//
diff --git a/Eawag/MSBNK-EAWAG-EC140209.txt b/Eawag/MSBNK-EAWAG-EC140209.txt
new file mode 100644
index 0000000000..bd0783f107
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC140209.txt
@@ -0,0 +1,130 @@
+ACCESSION: MSBNK-EAWAG-EC140209
+RECORD_TITLE: Aerucyclamide D; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 1402
+CH$NAME: Aerucyclamide D
+CH$NAME: (1R,4S,7R,8S,18S)-4-benzyl-7-methyl-18-(2-methylsulfanylethyl)-6-oxa-13,20-dithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.15,8.112,15]tetracosa-5(24),12(23),14,19(22)-tetraene-2,9,16-trione
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C26H30N6O4S3
+CH$EXACT_MASS: 586.1490664
+CH$SMILES: C[C@@H]1[C@H]2C(=O)NCC3=NC(=CS3)C(=O)N[C@H](C4=N[C@@H](CS4)C(=O)N[C@H](C(=N2)O1)CC5=CC=CC=C5)CCSC
+CH$IUPAC: InChI=1S/C26H30N6O4S3/c1-14-21-24(35)27-11-20-28-18(12-38-20)22(33)29-16(8-9-37-2)26-31-19(13-39-26)23(34)30-17(25(32-21)36-14)10-15-6-4-3-5-7-15/h3-7,12,14,16-17,19,21H,8-11,13H2,1-2H3,(H,27,35)(H,29,33)(H,30,34)/t14-,16+,17+,19+,21+/m1/s1
+CH$LINK: PUBCHEM CID:25156432
+CH$LINK: INCHIKEY MLBROOJXUZKDHY-PKPICYNOSA-N
+CH$LINK: CHEMSPIDER 24641545
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-620
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.327 min
+MS$FOCUSED_ION: BASE_PEAK 587.1559
+MS$FOCUSED_ION: PRECURSOR_M/Z 587.1563
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-074i-6900000000-affd04a08bb296b43409
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  54.034 C3H4N+ 1 54.0338 2.56
+  56.0494 C3H6N+ 1 56.0495 -0.71
+  57.0335 C3H5O+ 1 57.0335 0.89
+  58.995 C2H3S+ 1 58.995 -0.19
+  61.0106 C2H5S+ 1 61.0106 -0.58
+  68.0495 C4H6N+ 1 68.0495 0.52
+  69.0334 C4H5O+ 1 69.0335 -1.86
+  75.0264 C3H7S+ 1 75.0263 1.83
+  80.0494 C5H6N+ 1 80.0495 -0.55
+  83.0603 C4H7N2+ 1 83.0604 -0.73
+  84.0444 C4H6NO+ 1 84.0444 -0.21
+  86.0059 C3H4NS+ 1 86.0059 0.26
+  91.0543 C7H7+ 1 91.0542 0.98
+  95.0603 C5H7N2+ 1 95.0604 -1.27
+  96.0445 C5H6NO+ 1 96.0444 0.9
+  97.0106 C5H5S+ 1 97.0106 -0.47
+  98.006 C4H4NS+ 1 98.0059 0.67
+  103.0541 C8H7+ 1 103.0542 -0.75
+  105.07 C8H9+ 1 105.0699 1.6
+  111.9851 C4H2NOS+ 1 111.9852 -0.57
+  112.0213 C5H6NS+ 1 112.0215 -2.48
+  113.0168 C4H5N2S+ 1 113.0168 0.01
+  115.0546 C9H7+ 1 115.0542 2.96
+  118.0652 C8H8N+ 2 118.0651 0.91
+  120.0807 C8H10N+ 2 120.0808 -1.02
+  124.0215 C6H6NS+ 1 124.0215 -0.65
+  126.001 C5H4NOS+ 1 126.0008 1.39
+  126.0372 C6H8NS+ 1 126.0372 0.11
+  129.9957 C4H4NO2S+ 1 129.9957 0.05
+  130.0651 C9H8N+ 1 130.0651 0.03
+  131.0489 C9H7O+ 2 131.0491 -1.69
+  132.0808 C9H10N+ 2 132.0808 0.35
+  141.0117 C5H5N2OS+ 1 141.0117 -0.1
+  141.9955 C5H4NO2S+ 1 141.9957 -1.56
+  144.0114 C5H6NO2S+ 1 144.0114 0.5
+  151.0322 C7H7N2S+ 1 151.0324 -1.56
+  153.0115 C6H5N2OS+ 1 153.0117 -1.56
+  157.0068 C5H5N2O2S+ 2 157.0066 1.19
+  158.0967 C11H12N+ 2 158.0964 2.02
+  159.022 C5H7N2O2S+ 1 159.0223 -1.59
+  171.0221 C6H7N2O2S+ 1 171.0223 -1.28
+  185.0014 C6H5N2O3S+ 2 185.0015 -0.78
+  186.0911 C12H12NO+ 3 186.0913 -1.07
+  207.0218 CH11N4O4S2+ 3 207.0216 1.07
+PK$NUM_PEAK: 44
+PK$PEAK: m/z int. rel.int.
+  54.034 34885.5 43
+  56.0494 269058.8 335
+  57.0335 28749.6 35
+  58.995 82434.8 102
+  61.0106 800260.9 999
+  68.0495 27179.1 33
+  69.0334 61579.6 76
+  75.0264 57790.5 72
+  80.0494 62868.9 78
+  83.0603 16848.9 21
+  84.0444 324699.3 405
+  86.0059 132086.6 164
+  91.0543 220775.5 275
+  95.0603 29463.4 36
+  96.0445 40161.7 50
+  97.0106 33526.5 41
+  98.006 100512.1 125
+  103.0541 245025.2 305
+  105.07 50247.3 62
+  111.9851 134194.5 167
+  112.0213 102726.7 128
+  113.0168 70216.2 87
+  115.0546 45192.5 56
+  118.0652 53434.8 66
+  120.0807 545764.6 681
+  124.0215 266224.8 332
+  126.001 40596.2 50
+  126.0372 39072.6 48
+  129.9957 150599.3 187
+  130.0651 45364.6 56
+  131.0489 97931.2 122
+  132.0808 39888.4 49
+  141.0117 67756.5 84
+  141.9955 24934 31
+  144.0114 106251.3 132
+  151.0322 27492.8 34
+  153.0115 25671.7 32
+  157.0068 42148.9 52
+  158.0967 26554.8 33
+  159.022 342103.4 427
+  171.0221 95031.5 118
+  185.0014 322775.1 402
+  186.0911 41819.7 52
+  207.0218 23734.9 29
+//
diff --git a/Eawag/MSBNK-EAWAG-EC146901.txt b/Eawag/MSBNK-EAWAG-EC146901.txt
new file mode 100644
index 0000000000..d518c4c55d
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC146901.txt
@@ -0,0 +1,44 @@
+ACCESSION: MSBNK-EAWAG-EC146901
+RECORD_TITLE: Aerucyclamide C; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2a
+COMMENT: CyanoMetDB_ID 1469
+CH$NAME: Aerucyclamide C
+CH$NAME: (4S,7R,8S,11S,18R)-18-[(2S)-butan-2-yl]-4,7-dimethyl-11-propan-2-yl-6,13-dioxa-20-thia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.15,8.112,15]tetracosa-1(21),5(24),12(23),14,19(22)-pentaene-2,9,16-trione
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C24H32N6O5S
+CH$EXACT_MASS: 516.2154891
+CH$SMILES: CC[C@H](C)[C@@H]1C2=NC(=CS2)C(=O)N[C@H](C3=N[C@@H]([C@H](O3)C)C(=O)N[C@H](C4=NC(=CO4)C(=O)N1)C(C)C)C
+CH$IUPAC: InChI=1S/C24H32N6O5S/c1-7-11(4)17-24-27-15(9-36-24)20(32)25-12(5)22-30-18(13(6)35-22)21(33)28-16(10(2)3)23-26-14(8-34-23)19(31)29-17/h8-13,16-18H,7H2,1-6H3,(H,25,32)(H,28,33)(H,29,31)/t11-,12-,13+,16-,17+,18-/m0/s1
+CH$LINK: PUBCHEM CID:25156431
+CH$LINK: INCHIKEY MQIAICAGVFTAAN-ZIYJYRAWSA-N
+CH$LINK: CHEMSPIDER 24636795
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-549
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 11.139 min
+MS$FOCUSED_ION: BASE_PEAK 517.2224
+MS$FOCUSED_ION: PRECURSOR_M/Z 517.2228
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-014i-0000090000-cf386d5a791cf3710b75
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  517.2225 C24H33N6O5S+ 1 517.2228 -0.51
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  517.2225 22976850 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC146902.txt b/Eawag/MSBNK-EAWAG-EC146902.txt
new file mode 100644
index 0000000000..02958bbde8
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC146902.txt
@@ -0,0 +1,54 @@
+ACCESSION: MSBNK-EAWAG-EC146902
+RECORD_TITLE: Aerucyclamide C; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2a
+COMMENT: CyanoMetDB_ID 1469
+CH$NAME: Aerucyclamide C
+CH$NAME: (4S,7R,8S,11S,18R)-18-[(2S)-butan-2-yl]-4,7-dimethyl-11-propan-2-yl-6,13-dioxa-20-thia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.15,8.112,15]tetracosa-1(21),5(24),12(23),14,19(22)-pentaene-2,9,16-trione
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C24H32N6O5S
+CH$EXACT_MASS: 516.2154891
+CH$SMILES: CC[C@H](C)[C@@H]1C2=NC(=CS2)C(=O)N[C@H](C3=N[C@@H]([C@H](O3)C)C(=O)N[C@H](C4=NC(=CO4)C(=O)N1)C(C)C)C
+CH$IUPAC: InChI=1S/C24H32N6O5S/c1-7-11(4)17-24-27-15(9-36-24)20(32)25-12(5)22-30-18(13(6)35-22)21(33)28-16(10(2)3)23-26-14(8-34-23)19(31)29-17/h8-13,16-18H,7H2,1-6H3,(H,25,32)(H,28,33)(H,29,31)/t11-,12-,13+,16-,17+,18-/m0/s1
+CH$LINK: PUBCHEM CID:25156431
+CH$LINK: INCHIKEY MQIAICAGVFTAAN-ZIYJYRAWSA-N
+CH$LINK: CHEMSPIDER 24636795
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-549
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 11.139 min
+MS$FOCUSED_ION: BASE_PEAK 517.2224
+MS$FOCUSED_ION: PRECURSOR_M/Z 517.2228
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-014i-0000090000-81a27e732000001cd743
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  84.0443 C4H6NO+ 1 84.0444 -0.76
+  223.0892 C11H15N2OS+ 2 223.09 -3.39
+  251.0848 C12H15N2O2S+ 2 251.0849 -0.21
+  434.185 C20H28N5O4S+ 2 434.1857 -1.54
+  489.2278 C23H33N6O4S+ 1 489.2279 -0.04
+  517.2224 C24H33N6O5S+ 1 517.2228 -0.75
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  84.0443 669967.8 39
+  223.0892 513970.2 30
+  251.0848 436877.7 25
+  434.185 436612.1 25
+  489.2278 409845.3 24
+  517.2224 16911722 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC146903.txt b/Eawag/MSBNK-EAWAG-EC146903.txt
new file mode 100644
index 0000000000..87c9bffe28
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC146903.txt
@@ -0,0 +1,72 @@
+ACCESSION: MSBNK-EAWAG-EC146903
+RECORD_TITLE: Aerucyclamide C; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2a
+COMMENT: CyanoMetDB_ID 1469
+CH$NAME: Aerucyclamide C
+CH$NAME: (4S,7R,8S,11S,18R)-18-[(2S)-butan-2-yl]-4,7-dimethyl-11-propan-2-yl-6,13-dioxa-20-thia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.15,8.112,15]tetracosa-1(21),5(24),12(23),14,19(22)-pentaene-2,9,16-trione
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C24H32N6O5S
+CH$EXACT_MASS: 516.2154891
+CH$SMILES: CC[C@H](C)[C@@H]1C2=NC(=CS2)C(=O)N[C@H](C3=N[C@@H]([C@H](O3)C)C(=O)N[C@H](C4=NC(=CO4)C(=O)N1)C(C)C)C
+CH$IUPAC: InChI=1S/C24H32N6O5S/c1-7-11(4)17-24-27-15(9-36-24)20(32)25-12(5)22-30-18(13(6)35-22)21(33)28-16(10(2)3)23-26-14(8-34-23)19(31)29-17/h8-13,16-18H,7H2,1-6H3,(H,25,32)(H,28,33)(H,29,31)/t11-,12-,13+,16-,17+,18-/m0/s1
+CH$LINK: PUBCHEM CID:25156431
+CH$LINK: INCHIKEY MQIAICAGVFTAAN-ZIYJYRAWSA-N
+CH$LINK: CHEMSPIDER 24636795
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-549
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 11.139 min
+MS$FOCUSED_ION: BASE_PEAK 517.2224
+MS$FOCUSED_ION: PRECURSOR_M/Z 517.2228
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-014i-1040390000-89e6a34343bf5084fc2c
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  84.0444 C4H6NO+ 1 84.0444 0.33
+  167.0814 C8H11N2O2+ 3 167.0815 -0.56
+  197.0746 C9H13N2OS+ 2 197.0743 1.25
+  210.1239 C10H16N3O2+ 3 210.1237 0.74
+  223.0894 C11H15N2OS+ 2 223.09 -2.3
+  251.0842 C12H15N2O2S+ 2 251.0849 -2.58
+  277.1297 C13H17N4O3+ 3 277.1295 0.54
+  306.1258 C13H18N6OS+ 4 306.1257 0.26
+  351.1472 C22H17N5+ 3 351.1478 -1.83
+  406.1905 C19H28N5O3S+ 3 406.1907 -0.68
+  434.1846 C20H28N5O4S+ 1 434.1857 -2.52
+  446.1856 C21H28N5O4S+ 2 446.1857 -0.05
+  489.2276 C23H33N6O4S+ 1 489.2279 -0.48
+  499.2122 C24H31N6O4S+ 1 499.2122 -0.04
+  517.2227 C24H33N6O5S+ 1 517.2228 -0.16
+PK$NUM_PEAK: 15
+PK$PEAK: m/z int. rel.int.
+  84.0444 1738299.5 217
+  167.0814 124760.5 15
+  197.0746 277720 34
+  210.1239 174651.7 21
+  223.0894 2474414.5 309
+  251.0842 1153741.5 144
+  277.1297 107495.5 13
+  306.1258 88382 11
+  351.1472 189628.5 23
+  406.1905 1002713.6 125
+  434.1846 465036.5 58
+  446.1856 168726.2 21
+  489.2276 615043.4 76
+  499.2122 498351.3 62
+  517.2227 7984752.5 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC146904.txt b/Eawag/MSBNK-EAWAG-EC146904.txt
new file mode 100644
index 0000000000..d90a28de04
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC146904.txt
@@ -0,0 +1,74 @@
+ACCESSION: MSBNK-EAWAG-EC146904
+RECORD_TITLE: Aerucyclamide C; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2a
+COMMENT: CyanoMetDB_ID 1469
+CH$NAME: Aerucyclamide C
+CH$NAME: (4S,7R,8S,11S,18R)-18-[(2S)-butan-2-yl]-4,7-dimethyl-11-propan-2-yl-6,13-dioxa-20-thia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.15,8.112,15]tetracosa-1(21),5(24),12(23),14,19(22)-pentaene-2,9,16-trione
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C24H32N6O5S
+CH$EXACT_MASS: 516.2154891
+CH$SMILES: CC[C@H](C)[C@@H]1C2=NC(=CS2)C(=O)N[C@H](C3=N[C@@H]([C@H](O3)C)C(=O)N[C@H](C4=NC(=CO4)C(=O)N1)C(C)C)C
+CH$IUPAC: InChI=1S/C24H32N6O5S/c1-7-11(4)17-24-27-15(9-36-24)20(32)25-12(5)22-30-18(13(6)35-22)21(33)28-16(10(2)3)23-26-14(8-34-23)19(31)29-17/h8-13,16-18H,7H2,1-6H3,(H,25,32)(H,28,33)(H,29,31)/t11-,12-,13+,16-,17+,18-/m0/s1
+CH$LINK: PUBCHEM CID:25156431
+CH$LINK: INCHIKEY MQIAICAGVFTAAN-ZIYJYRAWSA-N
+CH$LINK: CHEMSPIDER 24636795
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-549
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 11.139 min
+MS$FOCUSED_ION: BASE_PEAK 517.2224
+MS$FOCUSED_ION: PRECURSOR_M/Z 517.2228
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00di-3290230000-0c86f8225b39fd5a95bb
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  56.0494 C3H6N+ 1 56.0495 -1.93
+  84.0444 C4H6NO+ 1 84.0444 0.24
+  110.0598 C6H8NO+ 1 110.06 -2.06
+  167.0815 C8H11N2O2+ 3 167.0815 0.26
+  197.074 C9H13N2OS+ 1 197.0743 -1.53
+  198.058 C9H12NO2S+ 1 198.0583 -1.74
+  223.0895 C11H15N2OS+ 2 223.09 -2.02
+  251.0841 C12H15N2O2S+ 2 251.0849 -3.25
+  262.1002 C13H16N3OS+ 2 262.1009 -2.39
+  277.1292 C13H17N4O3+ 2 277.1295 -1
+  306.1264 C13H18N6OS+ 4 306.1257 2.05
+  363.1492 C17H23N4O3S+ 3 363.1485 1.8
+  406.1902 C19H28N5O3S+ 3 406.1907 -1.21
+  489.2288 C23H33N6O4S+ 1 489.2279 2.02
+  499.2122 C24H31N6O4S+ 1 499.2122 -0.04
+  517.2226 C24H33N6O5S+ 1 517.2228 -0.27
+PK$NUM_PEAK: 16
+PK$PEAK: m/z int. rel.int.
+  56.0494 82570.5 14
+  84.0444 2547304.2 437
+  110.0598 295903 50
+  167.0815 407539.4 69
+  197.074 789374.6 135
+  198.058 879580.8 150
+  223.0895 5820809.5 999
+  251.0841 1346011.9 231
+  262.1002 70262.1 12
+  277.1292 130259.5 22
+  306.1264 104175.1 17
+  363.1492 342895.4 58
+  406.1902 1265051.2 217
+  489.2288 364584.1 62
+  499.2122 488085.7 83
+  517.2226 2640219.5 453
+//
diff --git a/Eawag/MSBNK-EAWAG-EC146905.txt b/Eawag/MSBNK-EAWAG-EC146905.txt
new file mode 100644
index 0000000000..c0ae07a66c
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC146905.txt
@@ -0,0 +1,80 @@
+ACCESSION: MSBNK-EAWAG-EC146905
+RECORD_TITLE: Aerucyclamide C; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2a
+COMMENT: CyanoMetDB_ID 1469
+CH$NAME: Aerucyclamide C
+CH$NAME: (4S,7R,8S,11S,18R)-18-[(2S)-butan-2-yl]-4,7-dimethyl-11-propan-2-yl-6,13-dioxa-20-thia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.15,8.112,15]tetracosa-1(21),5(24),12(23),14,19(22)-pentaene-2,9,16-trione
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C24H32N6O5S
+CH$EXACT_MASS: 516.2154891
+CH$SMILES: CC[C@H](C)[C@@H]1C2=NC(=CS2)C(=O)N[C@H](C3=N[C@@H]([C@H](O3)C)C(=O)N[C@H](C4=NC(=CO4)C(=O)N1)C(C)C)C
+CH$IUPAC: InChI=1S/C24H32N6O5S/c1-7-11(4)17-24-27-15(9-36-24)20(32)25-12(5)22-30-18(13(6)35-22)21(33)28-16(10(2)3)23-26-14(8-34-23)19(31)29-17/h8-13,16-18H,7H2,1-6H3,(H,25,32)(H,28,33)(H,29,31)/t11-,12-,13+,16-,17+,18-/m0/s1
+CH$LINK: PUBCHEM CID:25156431
+CH$LINK: INCHIKEY MQIAICAGVFTAAN-ZIYJYRAWSA-N
+CH$LINK: CHEMSPIDER 24636795
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-549
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 11.139 min
+MS$FOCUSED_ION: BASE_PEAK 517.2224
+MS$FOCUSED_ION: PRECURSOR_M/Z 517.2228
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-006t-3960000000-9f222237da1d1227ac71
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  56.0496 C3H6N+ 1 56.0495 1.33
+  72.0805 C4H10N+ 1 72.0808 -4.06
+  82.065 C5H8N+ 1 82.0651 -1.21
+  84.0444 C4H6NO+ 1 84.0444 -0.4
+  98.0966 C6H12N+ 1 98.0964 2
+  110.0601 C6H8NO+ 1 110.06 0.09
+  155.0276 C6H7N2OS+ 1 155.0274 1.53
+  167.0813 C8H11N2O2+ 2 167.0815 -0.93
+  168.0651 H14N3O5S+ 2 168.0649 1.45
+  180.0476 C9H10NOS+ 1 180.0478 -0.77
+  197.074 C9H13N2OS+ 1 197.0743 -1.38
+  198.0579 C9H12NO2S+ 2 198.0583 -2.05
+  210.1234 C10H16N3O2+ 3 210.1237 -1.29
+  223.0894 C11H15N2OS+ 2 223.09 -2.57
+  235.1436 C5H23N4O4S+ 3 235.1435 0.43
+  251.0838 C12H15N2O2S+ 2 251.0849 -4.35
+  262.1003 C13H16N3OS+ 2 262.1009 -2.04
+  346.1214 C22H18O4+ 4 346.12 4.18
+  406.1908 C19H28N5O3S+ 2 406.1907 0.07
+PK$NUM_PEAK: 19
+PK$PEAK: m/z int. rel.int.
+  56.0496 160199.2 25
+  72.0805 74768.6 11
+  82.065 172909.3 27
+  84.0444 2642564.2 419
+  98.0966 177021.1 28
+  110.0601 456245.1 72
+  155.0276 83907.7 13
+  167.0813 914312.6 145
+  168.0651 576524.9 91
+  180.0476 520260.8 82
+  197.074 1045642.2 166
+  198.0579 5628496 893
+  210.1234 366244.1 58
+  223.0894 6292258.5 999
+  235.1436 66266.4 10
+  251.0838 289571.4 45
+  262.1003 110254.3 17
+  346.1214 303071.4 48
+  406.1908 405282.7 64
+//
diff --git a/Eawag/MSBNK-EAWAG-EC146906.txt b/Eawag/MSBNK-EAWAG-EC146906.txt
new file mode 100644
index 0000000000..56d875be9b
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC146906.txt
@@ -0,0 +1,74 @@
+ACCESSION: MSBNK-EAWAG-EC146906
+RECORD_TITLE: Aerucyclamide C; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2a
+COMMENT: CyanoMetDB_ID 1469
+CH$NAME: Aerucyclamide C
+CH$NAME: (4S,7R,8S,11S,18R)-18-[(2S)-butan-2-yl]-4,7-dimethyl-11-propan-2-yl-6,13-dioxa-20-thia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.15,8.112,15]tetracosa-1(21),5(24),12(23),14,19(22)-pentaene-2,9,16-trione
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C24H32N6O5S
+CH$EXACT_MASS: 516.2154891
+CH$SMILES: CC[C@H](C)[C@@H]1C2=NC(=CS2)C(=O)N[C@H](C3=N[C@@H]([C@H](O3)C)C(=O)N[C@H](C4=NC(=CO4)C(=O)N1)C(C)C)C
+CH$IUPAC: InChI=1S/C24H32N6O5S/c1-7-11(4)17-24-27-15(9-36-24)20(32)25-12(5)22-30-18(13(6)35-22)21(33)28-16(10(2)3)23-26-14(8-34-23)19(31)29-17/h8-13,16-18H,7H2,1-6H3,(H,25,32)(H,28,33)(H,29,31)/t11-,12-,13+,16-,17+,18-/m0/s1
+CH$LINK: PUBCHEM CID:25156431
+CH$LINK: INCHIKEY MQIAICAGVFTAAN-ZIYJYRAWSA-N
+CH$LINK: CHEMSPIDER 24636795
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-549
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 11.139 min
+MS$FOCUSED_ION: BASE_PEAK 517.2224
+MS$FOCUSED_ION: PRECURSOR_M/Z 517.2228
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0002-1910000000-42a20dc651deb2fe2ca4
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  56.0495 C3H6N+ 1 56.0495 0.79
+  72.0808 C4H10N+ 1 72.0808 0.38
+  82.0651 C5H8N+ 1 82.0651 -0.75
+  84.0444 C4H6NO+ 1 84.0444 0.24
+  98.0962 C6H12N+ 1 98.0964 -2.12
+  110.0601 C6H8NO+ 1 110.06 0.09
+  152.0528 C8H10NS+ 1 152.0528 -0.45
+  167.0815 C8H11N2O2+ 3 167.0815 -0.2
+  168.0653 H14N3O5S+ 2 168.0649 2.44
+  179.0637 C9H11N2S+ 1 179.0637 -0.2
+  180.0475 C9H10NOS+ 1 180.0478 -1.19
+  197.0739 C9H13N2OS+ 2 197.0743 -2.15
+  198.058 C9H12NO2S+ 1 198.0583 -1.66
+  212.0736 C8H12N4OS+ 2 212.0726 4.55
+  223.0894 C11H15N2OS+ 2 223.09 -2.3
+  235.1433 C5H23N4O4S+ 3 235.1435 -0.54
+PK$NUM_PEAK: 16
+PK$PEAK: m/z int. rel.int.
+  56.0495 255537.7 22
+  72.0808 211157.5 18
+  82.0651 154350.5 13
+  84.0444 2600058.8 232
+  98.0962 190859.7 17
+  110.0601 486622.2 43
+  152.0528 140373.6 12
+  167.0815 913782.9 81
+  168.0653 1292957.5 115
+  179.0637 113582.5 10
+  180.0475 1060984.5 94
+  197.0739 432444.5 38
+  198.058 11157333 999
+  212.0736 206176.7 18
+  223.0894 2830172.2 253
+  235.1433 128863.5 11
+//
diff --git a/Eawag/MSBNK-EAWAG-EC146907.txt b/Eawag/MSBNK-EAWAG-EC146907.txt
new file mode 100644
index 0000000000..c7004b21a5
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC146907.txt
@@ -0,0 +1,72 @@
+ACCESSION: MSBNK-EAWAG-EC146907
+RECORD_TITLE: Aerucyclamide C; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2a
+COMMENT: CyanoMetDB_ID 1469
+CH$NAME: Aerucyclamide C
+CH$NAME: (4S,7R,8S,11S,18R)-18-[(2S)-butan-2-yl]-4,7-dimethyl-11-propan-2-yl-6,13-dioxa-20-thia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.15,8.112,15]tetracosa-1(21),5(24),12(23),14,19(22)-pentaene-2,9,16-trione
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C24H32N6O5S
+CH$EXACT_MASS: 516.2154891
+CH$SMILES: CC[C@H](C)[C@@H]1C2=NC(=CS2)C(=O)N[C@H](C3=N[C@@H]([C@H](O3)C)C(=O)N[C@H](C4=NC(=CO4)C(=O)N1)C(C)C)C
+CH$IUPAC: InChI=1S/C24H32N6O5S/c1-7-11(4)17-24-27-15(9-36-24)20(32)25-12(5)22-30-18(13(6)35-22)21(33)28-16(10(2)3)23-26-14(8-34-23)19(31)29-17/h8-13,16-18H,7H2,1-6H3,(H,25,32)(H,28,33)(H,29,31)/t11-,12-,13+,16-,17+,18-/m0/s1
+CH$LINK: PUBCHEM CID:25156431
+CH$LINK: INCHIKEY MQIAICAGVFTAAN-ZIYJYRAWSA-N
+CH$LINK: CHEMSPIDER 24636795
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-549
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 11.139 min
+MS$FOCUSED_ION: BASE_PEAK 517.2224
+MS$FOCUSED_ION: PRECURSOR_M/Z 517.2228
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0002-1900000000-b4e06d3b93f5883e4238
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  56.0495 C3H6N+ 1 56.0495 0.52
+  69.07 C5H9+ 1 69.0699 1.44
+  72.0808 C4H10N+ 1 72.0808 -0.04
+  84.0444 C4H6NO+ 1 84.0444 0.06
+  98.0964 C6H12N+ 1 98.0964 0.14
+  110.06 C6H8NO+ 1 110.06 -0.12
+  111.9853 C4H2NOS+ 1 111.9852 1
+  125.0421 C7H9S+ 1 125.0419 1.18
+  150.0549 C8H8NO2+ 2 150.055 -0.47
+  152.0527 C8H10NS+ 1 152.0528 -0.66
+  167.0814 C8H11N2O2+ 3 167.0815 -0.38
+  168.0654 H14N3O5S+ 2 168.0649 3.17
+  180.0475 C9H10NOS+ 1 180.0478 -1.19
+  198.058 C9H12NO2S+ 1 198.0583 -1.66
+  223.0894 C11H15N2OS+ 2 223.09 -2.3
+PK$NUM_PEAK: 15
+PK$PEAK: m/z int. rel.int.
+  56.0495 372521.1 30
+  69.07 304683.3 25
+  72.0808 195564.1 16
+  84.0444 2021293 165
+  98.0964 182128.7 14
+  110.06 433165.1 35
+  111.9853 124235.9 10
+  125.0421 142438.3 11
+  150.0549 129487.5 10
+  152.0527 390188.9 32
+  167.0814 565670.8 46
+  168.0654 1683304.1 138
+  180.0475 1108285.9 90
+  198.058 12169038 999
+  223.0894 614825.3 50
+//
diff --git a/Eawag/MSBNK-EAWAG-EC146908.txt b/Eawag/MSBNK-EAWAG-EC146908.txt
new file mode 100644
index 0000000000..ad5c90fa86
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC146908.txt
@@ -0,0 +1,86 @@
+ACCESSION: MSBNK-EAWAG-EC146908
+RECORD_TITLE: Aerucyclamide C; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2a
+COMMENT: CyanoMetDB_ID 1469
+CH$NAME: Aerucyclamide C
+CH$NAME: (4S,7R,8S,11S,18R)-18-[(2S)-butan-2-yl]-4,7-dimethyl-11-propan-2-yl-6,13-dioxa-20-thia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.15,8.112,15]tetracosa-1(21),5(24),12(23),14,19(22)-pentaene-2,9,16-trione
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C24H32N6O5S
+CH$EXACT_MASS: 516.2154891
+CH$SMILES: CC[C@H](C)[C@@H]1C2=NC(=CS2)C(=O)N[C@H](C3=N[C@@H]([C@H](O3)C)C(=O)N[C@H](C4=NC(=CO4)C(=O)N1)C(C)C)C
+CH$IUPAC: InChI=1S/C24H32N6O5S/c1-7-11(4)17-24-27-15(9-36-24)20(32)25-12(5)22-30-18(13(6)35-22)21(33)28-16(10(2)3)23-26-14(8-34-23)19(31)29-17/h8-13,16-18H,7H2,1-6H3,(H,25,32)(H,28,33)(H,29,31)/t11-,12-,13+,16-,17+,18-/m0/s1
+CH$LINK: PUBCHEM CID:25156431
+CH$LINK: INCHIKEY MQIAICAGVFTAAN-ZIYJYRAWSA-N
+CH$LINK: CHEMSPIDER 24636795
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-549
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 11.139 min
+MS$FOCUSED_ION: BASE_PEAK 517.2224
+MS$FOCUSED_ION: PRECURSOR_M/Z 517.2228
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0002-2900000000-af4b0785631036512c11
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  55.0542 C4H7+ 1 55.0542 0.25
+  56.0495 C3H6N+ 1 56.0495 0.18
+  67.0542 C5H7+ 1 67.0542 -0.99
+  69.0698 C5H9+ 1 69.0699 -0.43
+  72.0807 C4H10N+ 1 72.0808 -0.46
+  82.0648 C5H8N+ 1 82.0651 -3.81
+  84.0443 C4H6NO+ 1 84.0444 -0.58
+  91.0541 C7H7+ 1 91.0542 -0.87
+  94.0651 C6H8N+ 1 94.0651 -0.53
+  96.0079 C4H2NO2+ 1 96.008 -0.76
+  98.0963 C6H12N+ 1 98.0964 -0.95
+  110.0599 C6H8NO+ 1 110.06 -1.16
+  111.9851 C4H2NOS+ 1 111.9852 -0.91
+  113.0343 C4H5N2O2+ 1 113.0346 -1.99
+  122.0599 C7H8NO+ 1 122.06 -1.11
+  125.0419 C7H9S+ 1 125.0419 -0.17
+  129.9955 C4H4NO2S+ 1 129.9957 -1.71
+  137.0289 C7H7NS+ 1 137.0294 -3.41
+  152.0527 C8H10NS+ 1 152.0528 -1.06
+  168.0652 H14N3O5S+ 2 168.0649 2.17
+  180.0474 C9H10NOS+ 1 180.0478 -2.04
+  198.0579 C9H12NO2S+ 2 198.0583 -2.13
+PK$NUM_PEAK: 22
+PK$PEAK: m/z int. rel.int.
+  55.0542 186761.9 16
+  56.0495 504348.2 45
+  67.0542 119885.3 10
+  69.0698 1143636.8 102
+  72.0807 241067.3 21
+  82.0648 149691.4 13
+  84.0443 1815328.6 162
+  91.0541 156603.7 14
+  94.0651 253878.9 22
+  96.0079 168008.9 15
+  98.0963 137760.1 12
+  110.0599 406380.7 36
+  111.9851 224266.5 20
+  113.0343 132181.1 11
+  122.0599 341785.1 30
+  125.0419 465509 41
+  129.9955 144783.3 12
+  137.0289 119004.4 10
+  152.0527 655649.9 58
+  168.0652 1855061.6 166
+  180.0474 872523.6 78
+  198.0579 11135624 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC146909.txt b/Eawag/MSBNK-EAWAG-EC146909.txt
new file mode 100644
index 0000000000..f35f7bb058
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC146909.txt
@@ -0,0 +1,88 @@
+ACCESSION: MSBNK-EAWAG-EC146909
+RECORD_TITLE: Aerucyclamide C; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2a
+COMMENT: CyanoMetDB_ID 1469
+CH$NAME: Aerucyclamide C
+CH$NAME: (4S,7R,8S,11S,18R)-18-[(2S)-butan-2-yl]-4,7-dimethyl-11-propan-2-yl-6,13-dioxa-20-thia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.15,8.112,15]tetracosa-1(21),5(24),12(23),14,19(22)-pentaene-2,9,16-trione
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C24H32N6O5S
+CH$EXACT_MASS: 516.2154891
+CH$SMILES: CC[C@H](C)[C@@H]1C2=NC(=CS2)C(=O)N[C@H](C3=N[C@@H]([C@H](O3)C)C(=O)N[C@H](C4=NC(=CO4)C(=O)N1)C(C)C)C
+CH$IUPAC: InChI=1S/C24H32N6O5S/c1-7-11(4)17-24-27-15(9-36-24)20(32)25-12(5)22-30-18(13(6)35-22)21(33)28-16(10(2)3)23-26-14(8-34-23)19(31)29-17/h8-13,16-18H,7H2,1-6H3,(H,25,32)(H,28,33)(H,29,31)/t11-,12-,13+,16-,17+,18-/m0/s1
+CH$LINK: PUBCHEM CID:25156431
+CH$LINK: INCHIKEY MQIAICAGVFTAAN-ZIYJYRAWSA-N
+CH$LINK: CHEMSPIDER 24636795
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-549
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 11.139 min
+MS$FOCUSED_ION: BASE_PEAK 517.2224
+MS$FOCUSED_ION: PRECURSOR_M/Z 517.2228
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00kb-4900000000-33c9983fe1e50d89a01d
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  55.0542 C4H7+ 1 55.0542 -0.85
+  56.0494 C3H6N+ 1 56.0495 -0.78
+  67.0542 C5H7+ 1 67.0542 0.03
+  69.0698 C5H9+ 1 69.0699 -0.54
+  72.0807 C4H10N+ 1 72.0808 -1.1
+  82.0649 C5H8N+ 1 82.0651 -2.61
+  84.0443 C4H6NO+ 1 84.0444 -0.49
+  91.0541 C7H7+ 1 91.0542 -1.45
+  94.065 C6H8N+ 1 94.0651 -1.5
+  96.0078 C4H2NO2+ 1 96.008 -1.72
+  98.0962 C6H12N+ 1 98.0964 -2.12
+  110.0599 C6H8NO+ 1 110.06 -1.5
+  113.0344 C4H5N2O2+ 1 113.0346 -1.65
+  122.06 C7H8NO+ 1 122.06 -0.11
+  125.0419 C7H9S+ 1 125.0419 -0.53
+  129.9957 C4H4NO2S+ 1 129.9957 -0.07
+  137.0291 C7H7NS+ 1 137.0294 -1.74
+  152.0526 C8H10NS+ 1 152.0528 -1.36
+  168.0652 H14N3O5S+ 2 168.0649 2.08
+  179.0633 C9H11N2S+ 1 179.0637 -2.24
+  180.0477 C9H10NOS+ 1 180.0478 -0.35
+  198.0579 C9H12NO2S+ 2 198.0583 -2.36
+  212.0736 C8H12N4OS+ 2 212.0726 4.33
+PK$NUM_PEAK: 23
+PK$PEAK: m/z int. rel.int.
+  55.0542 259996.7 36
+  56.0494 591740 81
+  67.0542 244451.2 33
+  69.0698 2043159.4 283
+  72.0807 161959.7 22
+  82.0649 154821 21
+  84.0443 1166197.2 161
+  91.0541 247394 34
+  94.065 429408.4 59
+  96.0078 225492.4 31
+  98.0962 73078.6 10
+  110.0599 235281.9 32
+  113.0344 102751 14
+  122.06 413829.7 57
+  125.0419 681100.2 94
+  129.9957 158433.5 21
+  137.0291 180642.7 25
+  152.0526 538174.2 74
+  168.0652 1608618.2 222
+  179.0633 153483.5 21
+  180.0477 296587.8 41
+  198.0579 7209384.5 999
+  212.0736 139663.2 19
+//
diff --git a/Eawag/MSBNK-EAWAG-EC148101.txt b/Eawag/MSBNK-EAWAG-EC148101.txt
new file mode 100644
index 0000000000..4f029755d1
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC148101.txt
@@ -0,0 +1,49 @@
+ACCESSION: MSBNK-EAWAG-EC148101
+RECORD_TITLE: Hierridin B; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.6b00351
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1481
+CH$NAME: Hierridin B
+CH$NAME: 2,4-dimethoxy-6-pentadecylphenol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C23H40O3
+CH$EXACT_MASS: 364.2977451
+CH$SMILES: CCCCCCCCCCCCCCCC1=CC(=CC(=C1O)OC)OC
+CH$IUPAC: InChI=1S/C23H40O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-18-21(25-2)19-22(26-3)23(20)24/h18-19,24H,4-17H2,1-3H3
+CH$LINK: PUBCHEM CID:10021709
+CH$LINK: INCHIKEY VNEAIGHVYDWTTQ-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 8197282
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-394
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 17.742 min
+MS$FOCUSED_ION: BASE_PEAK 365.3039
+MS$FOCUSED_ION: PRECURSOR_M/Z 365.305
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-014i-0009000000-748cbad6791c7e142f77
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  137.0597 C8H9O2+ 1 137.0597 0.27
+  333.2782 C22H37O2+ 1 333.2788 -1.92
+  365.3043 C23H41O3+ 1 365.305 -2
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  137.0597 19329634 92
+  333.2782 6871861.5 32
+  365.3043 209386960 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC148102.txt b/Eawag/MSBNK-EAWAG-EC148102.txt
new file mode 100644
index 0000000000..a8a7e980d5
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC148102.txt
@@ -0,0 +1,51 @@
+ACCESSION: MSBNK-EAWAG-EC148102
+RECORD_TITLE: Hierridin B; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.6b00351
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1481
+CH$NAME: Hierridin B
+CH$NAME: 2,4-dimethoxy-6-pentadecylphenol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C23H40O3
+CH$EXACT_MASS: 364.2977451
+CH$SMILES: CCCCCCCCCCCCCCCC1=CC(=CC(=C1O)OC)OC
+CH$IUPAC: InChI=1S/C23H40O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-18-21(25-2)19-22(26-3)23(20)24/h18-19,24H,4-17H2,1-3H3
+CH$LINK: PUBCHEM CID:10021709
+CH$LINK: INCHIKEY VNEAIGHVYDWTTQ-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 8197282
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-394
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 17.742 min
+MS$FOCUSED_ION: BASE_PEAK 365.3039
+MS$FOCUSED_ION: PRECURSOR_M/Z 365.305
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-014r-0409000000-bde1766e77c443de9108
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  137.0596 C8H9O2+ 1 137.0597 -0.51
+  155.0702 C8H11O3+ 1 155.0703 -0.56
+  333.2784 C22H37O2+ 1 333.2788 -1.19
+  365.3042 C23H41O3+ 1 365.305 -2.17
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  137.0596 101942920 554
+  155.0702 5648843 30
+  333.2784 14263653 77
+  365.3042 183669808 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC148103.txt b/Eawag/MSBNK-EAWAG-EC148103.txt
new file mode 100644
index 0000000000..e685108273
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC148103.txt
@@ -0,0 +1,57 @@
+ACCESSION: MSBNK-EAWAG-EC148103
+RECORD_TITLE: Hierridin B; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.6b00351
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1481
+CH$NAME: Hierridin B
+CH$NAME: 2,4-dimethoxy-6-pentadecylphenol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C23H40O3
+CH$EXACT_MASS: 364.2977451
+CH$SMILES: CCCCCCCCCCCCCCCC1=CC(=CC(=C1O)OC)OC
+CH$IUPAC: InChI=1S/C23H40O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-18-21(25-2)19-22(26-3)23(20)24/h18-19,24H,4-17H2,1-3H3
+CH$LINK: PUBCHEM CID:10021709
+CH$LINK: INCHIKEY VNEAIGHVYDWTTQ-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 8197282
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-394
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 17.742 min
+MS$FOCUSED_ION: BASE_PEAK 365.3039
+MS$FOCUSED_ION: PRECURSOR_M/Z 365.305
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-000i-0904000000-241a0314cd51efe988ee
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  71.0854 C5H11+ 1 71.0855 -1.11
+  85.1009 C6H13+ 1 85.1012 -3.58
+  137.0597 C8H9O2+ 1 137.0597 -0.4
+  151.0752 C9H11O2+ 1 151.0754 -1.07
+  155.0702 C8H11O3+ 1 155.0703 -0.65
+  333.2778 C22H37O2+ 1 333.2788 -2.93
+  365.3038 C23H41O3+ 1 365.305 -3.42
+PK$NUM_PEAK: 7
+PK$PEAK: m/z int. rel.int.
+  71.0854 2055590.9 12
+  85.1009 1749852.5 10
+  137.0597 159183328 999
+  151.0752 1755768 11
+  155.0702 8536530 53
+  333.2778 7996287 50
+  365.3038 73536256 461
+//
diff --git a/Eawag/MSBNK-EAWAG-EC148104.txt b/Eawag/MSBNK-EAWAG-EC148104.txt
new file mode 100644
index 0000000000..8bf1e277c0
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC148104.txt
@@ -0,0 +1,55 @@
+ACCESSION: MSBNK-EAWAG-EC148104
+RECORD_TITLE: Hierridin B; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.6b00351
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1481
+CH$NAME: Hierridin B
+CH$NAME: 2,4-dimethoxy-6-pentadecylphenol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C23H40O3
+CH$EXACT_MASS: 364.2977451
+CH$SMILES: CCCCCCCCCCCCCCCC1=CC(=CC(=C1O)OC)OC
+CH$IUPAC: InChI=1S/C23H40O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-18-21(25-2)19-22(26-3)23(20)24/h18-19,24H,4-17H2,1-3H3
+CH$LINK: PUBCHEM CID:10021709
+CH$LINK: INCHIKEY VNEAIGHVYDWTTQ-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 8197282
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-394
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 17.742 min
+MS$FOCUSED_ION: BASE_PEAK 365.3039
+MS$FOCUSED_ION: PRECURSOR_M/Z 365.305
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-000i-0900000000-9e6dcc47773b2b28a08c
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  57.0699 C4H9+ 1 57.0699 1.14
+  71.0856 C5H11+ 1 71.0855 0.82
+  123.0442 C7H7O2+ 1 123.0441 1.01
+  137.0596 C8H9O2+ 1 137.0597 -0.51
+  140.0467 C7H8O3+ 1 140.0468 -0.56
+  155.07 C8H11O3+ 1 155.0703 -1.44
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  57.0699 5774463 30
+  71.0856 3902201 20
+  123.0442 3017224.2 15
+  137.0596 189220752 999
+  140.0467 5489251.5 28
+  155.07 10111174 53
+//
diff --git a/Eawag/MSBNK-EAWAG-EC148105.txt b/Eawag/MSBNK-EAWAG-EC148105.txt
new file mode 100644
index 0000000000..2f36f83738
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC148105.txt
@@ -0,0 +1,59 @@
+ACCESSION: MSBNK-EAWAG-EC148105
+RECORD_TITLE: Hierridin B; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.6b00351
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1481
+CH$NAME: Hierridin B
+CH$NAME: 2,4-dimethoxy-6-pentadecylphenol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C23H40O3
+CH$EXACT_MASS: 364.2977451
+CH$SMILES: CCCCCCCCCCCCCCCC1=CC(=CC(=C1O)OC)OC
+CH$IUPAC: InChI=1S/C23H40O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-18-21(25-2)19-22(26-3)23(20)24/h18-19,24H,4-17H2,1-3H3
+CH$LINK: PUBCHEM CID:10021709
+CH$LINK: INCHIKEY VNEAIGHVYDWTTQ-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 8197282
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-394
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 17.742 min
+MS$FOCUSED_ION: BASE_PEAK 365.3039
+MS$FOCUSED_ION: PRECURSOR_M/Z 365.305
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-000i-0900000000-a36ccf31962f061ecdce
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  57.0699 C4H9+ 1 57.0699 -0.2
+  71.0855 C5H11+ 1 71.0855 -0.15
+  85.1012 C6H13+ 1 85.1012 0.36
+  109.0648 C7H9O+ 1 109.0648 0.19
+  123.0439 C7H7O2+ 1 123.0441 -1.23
+  137.0596 C8H9O2+ 1 137.0597 -0.84
+  140.0467 C7H8O3+ 1 140.0468 -0.88
+  155.0702 C8H11O3+ 1 155.0703 -0.46
+PK$NUM_PEAK: 8
+PK$PEAK: m/z int. rel.int.
+  57.0699 8156794 51
+  71.0855 5257605.5 33
+  85.1012 2324824 14
+  109.0648 1787488.5 11
+  123.0439 5182017 32
+  137.0596 158956288 999
+  140.0467 11564968 72
+  155.0702 4065905.2 25
+//
diff --git a/Eawag/MSBNK-EAWAG-EC148106.txt b/Eawag/MSBNK-EAWAG-EC148106.txt
new file mode 100644
index 0000000000..4236fd9a55
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC148106.txt
@@ -0,0 +1,59 @@
+ACCESSION: MSBNK-EAWAG-EC148106
+RECORD_TITLE: Hierridin B; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.6b00351
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1481
+CH$NAME: Hierridin B
+CH$NAME: 2,4-dimethoxy-6-pentadecylphenol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C23H40O3
+CH$EXACT_MASS: 364.2977451
+CH$SMILES: CCCCCCCCCCCCCCCC1=CC(=CC(=C1O)OC)OC
+CH$IUPAC: InChI=1S/C23H40O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-18-21(25-2)19-22(26-3)23(20)24/h18-19,24H,4-17H2,1-3H3
+CH$LINK: PUBCHEM CID:10021709
+CH$LINK: INCHIKEY VNEAIGHVYDWTTQ-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 8197282
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-394
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 17.742 min
+MS$FOCUSED_ION: BASE_PEAK 365.3039
+MS$FOCUSED_ION: PRECURSOR_M/Z 365.305
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-000i-0900000000-261216dcff75e8c22195
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  57.0699 C4H9+ 1 57.0699 -0.26
+  71.0855 C5H11+ 1 71.0855 -0.25
+  105.0334 C7H5O+ 1 105.0335 -1.15
+  107.049 C7H7O+ 1 107.0491 -1.04
+  109.0646 C7H9O+ 1 109.0648 -1.7
+  123.044 C7H7O2+ 1 123.0441 -0.11
+  137.0596 C8H9O2+ 1 137.0597 -0.96
+  140.0467 C7H8O3+ 1 140.0468 -0.99
+PK$NUM_PEAK: 8
+PK$PEAK: m/z int. rel.int.
+  57.0699 18740178 89
+  71.0855 6309674 30
+  105.0334 2166956.8 10
+  107.049 2883374.5 13
+  109.0646 10014955 47
+  123.044 9856825 47
+  137.0596 209402208 999
+  140.0467 18919368 90
+//
diff --git a/Eawag/MSBNK-EAWAG-EC148107.txt b/Eawag/MSBNK-EAWAG-EC148107.txt
new file mode 100644
index 0000000000..a3dc8979f3
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC148107.txt
@@ -0,0 +1,73 @@
+ACCESSION: MSBNK-EAWAG-EC148107
+RECORD_TITLE: Hierridin B; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.6b00351
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1481
+CH$NAME: Hierridin B
+CH$NAME: 2,4-dimethoxy-6-pentadecylphenol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C23H40O3
+CH$EXACT_MASS: 364.2977451
+CH$SMILES: CCCCCCCCCCCCCCCC1=CC(=CC(=C1O)OC)OC
+CH$IUPAC: InChI=1S/C23H40O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-18-21(25-2)19-22(26-3)23(20)24/h18-19,24H,4-17H2,1-3H3
+CH$LINK: PUBCHEM CID:10021709
+CH$LINK: INCHIKEY VNEAIGHVYDWTTQ-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 8197282
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-394
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 17.742 min
+MS$FOCUSED_ION: BASE_PEAK 365.3039
+MS$FOCUSED_ION: PRECURSOR_M/Z 365.305
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-000i-1900000000-dca152f8a7715138bfba
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  43.0542 C3H7+ 1 43.0542 -1.13
+  55.0543 C4H7+ 1 55.0542 0.6
+  57.0699 C4H9+ 1 57.0699 -0.2
+  69.0698 C5H9+ 1 69.0699 -0.88
+  71.0856 C5H11+ 1 71.0855 0.5
+  79.0543 C6H7+ 1 79.0542 0.4
+  81.07 C6H9+ 1 81.0699 0.92
+  95.049 C6H7O+ 1 95.0491 -1.96
+  105.0337 C7H5O+ 1 105.0335 1.98
+  107.049 C7H7O+ 1 107.0491 -1.32
+  109.0649 C7H9O+ 1 109.0648 0.75
+  123.0441 C7H7O2+ 1 123.0441 0.76
+  125.0595 C7H9O2+ 1 125.0597 -1.85
+  137.0596 C8H9O2+ 1 137.0597 -0.51
+  140.0468 C7H8O3+ 1 140.0468 -0.01
+PK$NUM_PEAK: 15
+PK$PEAK: m/z int. rel.int.
+  43.0542 1208837.5 12
+  55.0543 2904400.5 29
+  57.0699 10222925 102
+  69.0698 1618884 16
+  71.0856 2911782.2 29
+  79.0543 3202672.8 32
+  81.07 3542581.2 35
+  95.049 1665682.4 16
+  105.0337 3014277.2 30
+  107.049 2996271 30
+  109.0649 14964749 150
+  123.0441 5821874.5 58
+  125.0595 1678110.4 16
+  137.0596 99517096 999
+  140.0468 13404884 134
+//
diff --git a/Eawag/MSBNK-EAWAG-EC148108.txt b/Eawag/MSBNK-EAWAG-EC148108.txt
new file mode 100644
index 0000000000..84a3b5ee81
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC148108.txt
@@ -0,0 +1,77 @@
+ACCESSION: MSBNK-EAWAG-EC148108
+RECORD_TITLE: Hierridin B; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.6b00351
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1481
+CH$NAME: Hierridin B
+CH$NAME: 2,4-dimethoxy-6-pentadecylphenol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C23H40O3
+CH$EXACT_MASS: 364.2977451
+CH$SMILES: CCCCCCCCCCCCCCCC1=CC(=CC(=C1O)OC)OC
+CH$IUPAC: InChI=1S/C23H40O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-18-21(25-2)19-22(26-3)23(20)24/h18-19,24H,4-17H2,1-3H3
+CH$LINK: PUBCHEM CID:10021709
+CH$LINK: INCHIKEY VNEAIGHVYDWTTQ-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 8197282
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-394
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 17.742 min
+MS$FOCUSED_ION: BASE_PEAK 365.3039
+MS$FOCUSED_ION: PRECURSOR_M/Z 365.305
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-052r-2900000000-5a483453ee3305a7b7b8
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  43.0541 C3H7+ 1 43.0542 -2.64
+  55.0541 C4H7+ 1 55.0542 -1.96
+  57.0699 C4H9+ 1 57.0699 -0.06
+  69.0698 C5H9+ 1 69.0699 -1.21
+  71.0855 C5H11+ 1 71.0855 0.28
+  79.0542 C6H7+ 1 79.0542 0.21
+  81.0699 C6H9+ 1 81.0699 -0.12
+  91.0543 C7H7+ 1 91.0542 0.48
+  94.0412 C6H6O+ 1 94.0413 -1.2
+  95.0491 C6H7O+ 1 95.0491 -0.19
+  105.0333 C7H5O+ 1 105.0335 -1.73
+  107.0491 C7H7O+ 1 107.0491 -0.18
+  109.0647 C7H9O+ 1 109.0648 -0.44
+  123.0437 C7H7O2+ 1 123.0441 -2.59
+  125.0234 C6H5O3+ 1 125.0233 0.84
+  137.0596 C8H9O2+ 1 137.0597 -0.96
+  140.0466 C7H8O3+ 1 140.0468 -1.65
+PK$NUM_PEAK: 17
+PK$PEAK: m/z int. rel.int.
+  43.0541 1700357.9 19
+  55.0541 3438205.5 38
+  57.0699 12849709 144
+  69.0698 2120463.8 23
+  71.0855 2252429.8 25
+  79.0542 11105222 124
+  81.0699 7201441 81
+  91.0543 1765913.6 19
+  94.0412 3353012.8 37
+  95.0491 4793629.5 53
+  105.0333 8123910 91
+  107.0491 6347610.5 71
+  109.0647 32333382 363
+  123.0437 7031649.5 79
+  125.0234 1925941.9 21
+  137.0596 88815456 999
+  140.0466 16580145 186
+//
diff --git a/Eawag/MSBNK-EAWAG-EC148151.txt b/Eawag/MSBNK-EAWAG-EC148151.txt
new file mode 100644
index 0000000000..ac0145b38d
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC148151.txt
@@ -0,0 +1,47 @@
+ACCESSION: MSBNK-EAWAG-EC148151
+RECORD_TITLE: Hierridin B; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.6b00351
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1481
+CH$NAME: Hierridin B
+CH$NAME: 2,4-dimethoxy-6-pentadecylphenol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C23H40O3
+CH$EXACT_MASS: 364.2977451
+CH$SMILES: CCCCCCCCCCCCCCCC1=CC(=CC(=C1O)OC)OC
+CH$IUPAC: InChI=1S/C23H40O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-18-21(25-2)19-22(26-3)23(20)24/h18-19,24H,4-17H2,1-3H3
+CH$LINK: PUBCHEM CID:10021709
+CH$LINK: INCHIKEY VNEAIGHVYDWTTQ-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 8197282
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-392
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 17.703 min
+MS$FOCUSED_ION: BASE_PEAK 363.2902
+MS$FOCUSED_ION: PRECURSOR_M/Z 363.2905
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03di-0009000000-48596859138b4496c7cf
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  348.2668 C22H36O3- 1 348.267 -0.61
+  363.2905 C23H39O3- 1 363.2905 0.05
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  348.2668 1387099.5 140
+  363.2905 9870904 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC148152.txt b/Eawag/MSBNK-EAWAG-EC148152.txt
new file mode 100644
index 0000000000..080418b9dd
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC148152.txt
@@ -0,0 +1,49 @@
+ACCESSION: MSBNK-EAWAG-EC148152
+RECORD_TITLE: Hierridin B; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.6b00351
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1481
+CH$NAME: Hierridin B
+CH$NAME: 2,4-dimethoxy-6-pentadecylphenol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C23H40O3
+CH$EXACT_MASS: 364.2977451
+CH$SMILES: CCCCCCCCCCCCCCCC1=CC(=CC(=C1O)OC)OC
+CH$IUPAC: InChI=1S/C23H40O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-18-21(25-2)19-22(26-3)23(20)24/h18-19,24H,4-17H2,1-3H3
+CH$LINK: PUBCHEM CID:10021709
+CH$LINK: INCHIKEY VNEAIGHVYDWTTQ-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 8197282
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-392
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 17.703 min
+MS$FOCUSED_ION: BASE_PEAK 363.2902
+MS$FOCUSED_ION: PRECURSOR_M/Z 363.2905
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03dj-0009000000-d96ba8470dbef3d3dbef
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  333.2421 C21H33O3- 1 333.2435 -4.16
+  348.2669 C22H36O3- 1 348.267 -0.18
+  363.2905 C23H39O3- 1 363.2905 0.05
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  333.2421 261430.4 36
+  348.2669 5070807 714
+  363.2905 7087656.5 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC148153.txt b/Eawag/MSBNK-EAWAG-EC148153.txt
new file mode 100644
index 0000000000..b552151efe
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC148153.txt
@@ -0,0 +1,49 @@
+ACCESSION: MSBNK-EAWAG-EC148153
+RECORD_TITLE: Hierridin B; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.6b00351
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1481
+CH$NAME: Hierridin B
+CH$NAME: 2,4-dimethoxy-6-pentadecylphenol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C23H40O3
+CH$EXACT_MASS: 364.2977451
+CH$SMILES: CCCCCCCCCCCCCCCC1=CC(=CC(=C1O)OC)OC
+CH$IUPAC: InChI=1S/C23H40O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-18-21(25-2)19-22(26-3)23(20)24/h18-19,24H,4-17H2,1-3H3
+CH$LINK: PUBCHEM CID:10021709
+CH$LINK: INCHIKEY VNEAIGHVYDWTTQ-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 8197282
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-392
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 17.703 min
+MS$FOCUSED_ION: BASE_PEAK 363.2902
+MS$FOCUSED_ION: PRECURSOR_M/Z 363.2905
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0002-0009000000-f0ae0117b9b8411ec657
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  333.2434 C21H33O3- 1 333.2435 -0.5
+  348.2669 C22H36O3- 1 348.267 -0.26
+  363.2905 C23H39O3- 1 363.2905 -0.04
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  333.2434 1068023.1 134
+  348.2669 7918591.5 999
+  363.2905 2871947 362
+//
diff --git a/Eawag/MSBNK-EAWAG-EC148154.txt b/Eawag/MSBNK-EAWAG-EC148154.txt
new file mode 100644
index 0000000000..0c501fc211
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC148154.txt
@@ -0,0 +1,49 @@
+ACCESSION: MSBNK-EAWAG-EC148154
+RECORD_TITLE: Hierridin B; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.6b00351
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1481
+CH$NAME: Hierridin B
+CH$NAME: 2,4-dimethoxy-6-pentadecylphenol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C23H40O3
+CH$EXACT_MASS: 364.2977451
+CH$SMILES: CCCCCCCCCCCCCCCC1=CC(=CC(=C1O)OC)OC
+CH$IUPAC: InChI=1S/C23H40O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-18-21(25-2)19-22(26-3)23(20)24/h18-19,24H,4-17H2,1-3H3
+CH$LINK: PUBCHEM CID:10021709
+CH$LINK: INCHIKEY VNEAIGHVYDWTTQ-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 8197282
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-392
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 17.703 min
+MS$FOCUSED_ION: BASE_PEAK 363.2902
+MS$FOCUSED_ION: PRECURSOR_M/Z 363.2905
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0002-0009000000-befb5f51c6bd0b5b908c
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  333.2433 C21H33O3- 1 333.2435 -0.68
+  348.2669 C22H36O3- 1 348.267 -0.26
+  363.2909 C23H39O3- 1 363.2905 1.22
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  333.2433 2784237.2 466
+  348.2669 5962449.5 999
+  363.2909 544015.3 91
+//
diff --git a/Eawag/MSBNK-EAWAG-EC148155.txt b/Eawag/MSBNK-EAWAG-EC148155.txt
new file mode 100644
index 0000000000..b29008b9f3
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC148155.txt
@@ -0,0 +1,47 @@
+ACCESSION: MSBNK-EAWAG-EC148155
+RECORD_TITLE: Hierridin B; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.6b00351
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1481
+CH$NAME: Hierridin B
+CH$NAME: 2,4-dimethoxy-6-pentadecylphenol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C23H40O3
+CH$EXACT_MASS: 364.2977451
+CH$SMILES: CCCCCCCCCCCCCCCC1=CC(=CC(=C1O)OC)OC
+CH$IUPAC: InChI=1S/C23H40O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-18-21(25-2)19-22(26-3)23(20)24/h18-19,24H,4-17H2,1-3H3
+CH$LINK: PUBCHEM CID:10021709
+CH$LINK: INCHIKEY VNEAIGHVYDWTTQ-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 8197282
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-392
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 17.703 min
+MS$FOCUSED_ION: BASE_PEAK 363.2902
+MS$FOCUSED_ION: PRECURSOR_M/Z 363.2905
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-001i-0009000000-744c5d60fc2263c29cca
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  333.2432 C21H33O3- 1 333.2435 -0.96
+  348.2668 C22H36O3- 1 348.267 -0.61
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  333.2432 8946989 999
+  348.2668 1610151.6 179
+//
diff --git a/Eawag/MSBNK-EAWAG-EC148156.txt b/Eawag/MSBNK-EAWAG-EC148156.txt
new file mode 100644
index 0000000000..aa54ee8b6b
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC148156.txt
@@ -0,0 +1,47 @@
+ACCESSION: MSBNK-EAWAG-EC148156
+RECORD_TITLE: Hierridin B; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.6b00351
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1481
+CH$NAME: Hierridin B
+CH$NAME: 2,4-dimethoxy-6-pentadecylphenol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C23H40O3
+CH$EXACT_MASS: 364.2977451
+CH$SMILES: CCCCCCCCCCCCCCCC1=CC(=CC(=C1O)OC)OC
+CH$IUPAC: InChI=1S/C23H40O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-18-21(25-2)19-22(26-3)23(20)24/h18-19,24H,4-17H2,1-3H3
+CH$LINK: PUBCHEM CID:10021709
+CH$LINK: INCHIKEY VNEAIGHVYDWTTQ-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 8197282
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-392
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 17.703 min
+MS$FOCUSED_ION: BASE_PEAK 363.2902
+MS$FOCUSED_ION: PRECURSOR_M/Z 363.2905
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-001i-0009000000-77250f7a5ff7d4c5b32e
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  305.2484 C20H33O2- 1 305.2486 -0.63
+  333.2433 C21H33O3- 1 333.2435 -0.59
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  305.2484 884640.4 85
+  333.2433 10293068 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC148157.txt b/Eawag/MSBNK-EAWAG-EC148157.txt
new file mode 100644
index 0000000000..907d111095
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC148157.txt
@@ -0,0 +1,51 @@
+ACCESSION: MSBNK-EAWAG-EC148157
+RECORD_TITLE: Hierridin B; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.6b00351
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1481
+CH$NAME: Hierridin B
+CH$NAME: 2,4-dimethoxy-6-pentadecylphenol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C23H40O3
+CH$EXACT_MASS: 364.2977451
+CH$SMILES: CCCCCCCCCCCCCCCC1=CC(=CC(=C1O)OC)OC
+CH$IUPAC: InChI=1S/C23H40O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-18-21(25-2)19-22(26-3)23(20)24/h18-19,24H,4-17H2,1-3H3
+CH$LINK: PUBCHEM CID:10021709
+CH$LINK: INCHIKEY VNEAIGHVYDWTTQ-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 8197282
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-392
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 17.703 min
+MS$FOCUSED_ION: BASE_PEAK 363.2902
+MS$FOCUSED_ION: PRECURSOR_M/Z 363.2905
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-053r-0009000000-1092e13781726a3dd12d
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  108.0219 C6H4O2- 1 108.0217 1.6
+  136.0163 C7H4O3- 1 136.0166 -1.96
+  305.2484 C20H33O2- 1 305.2486 -0.73
+  333.2433 C21H33O3- 1 333.2435 -0.77
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  108.0219 180332.8 36
+  136.0163 78409.2 16
+  305.2484 3078082.8 629
+  333.2433 4886035 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC148158.txt b/Eawag/MSBNK-EAWAG-EC148158.txt
new file mode 100644
index 0000000000..c36ccb0f98
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC148158.txt
@@ -0,0 +1,57 @@
+ACCESSION: MSBNK-EAWAG-EC148158
+RECORD_TITLE: Hierridin B; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.6b00351
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1481
+CH$NAME: Hierridin B
+CH$NAME: 2,4-dimethoxy-6-pentadecylphenol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C23H40O3
+CH$EXACT_MASS: 364.2977451
+CH$SMILES: CCCCCCCCCCCCCCCC1=CC(=CC(=C1O)OC)OC
+CH$IUPAC: InChI=1S/C23H40O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-18-21(25-2)19-22(26-3)23(20)24/h18-19,24H,4-17H2,1-3H3
+CH$LINK: PUBCHEM CID:10021709
+CH$LINK: INCHIKEY VNEAIGHVYDWTTQ-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 8197282
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-392
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 17.703 min
+MS$FOCUSED_ION: BASE_PEAK 363.2902
+MS$FOCUSED_ION: PRECURSOR_M/Z 363.2905
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0a4i-0209000000-17acce3fc7650a1bd483
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  65.0396 C5H5- 1 65.0397 -0.55
+  108.0218 C6H4O2- 1 108.0217 0.68
+  109.0296 C6H5O2- 1 109.0295 0.76
+  136.0166 C7H4O3- 1 136.0166 0.17
+  150.0319 C8H6O3- 1 150.0322 -2.45
+  305.2483 C20H33O2- 1 305.2486 -1.03
+  333.2434 C21H33O3- 1 333.2435 -0.5
+PK$NUM_PEAK: 7
+PK$PEAK: m/z int. rel.int.
+  65.0396 39082.7 11
+  108.0218 1104362.2 314
+  109.0296 105548.6 30
+  136.0166 117215.3 33
+  150.0319 94412.4 26
+  305.2483 3511506.5 999
+  333.2434 1172692.2 333
+//
diff --git a/Eawag/MSBNK-EAWAG-EC148159.txt b/Eawag/MSBNK-EAWAG-EC148159.txt
new file mode 100644
index 0000000000..a65390aeb1
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC148159.txt
@@ -0,0 +1,57 @@
+ACCESSION: MSBNK-EAWAG-EC148159
+RECORD_TITLE: Hierridin B; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.6b00351
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1481
+CH$NAME: Hierridin B
+CH$NAME: 2,4-dimethoxy-6-pentadecylphenol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C23H40O3
+CH$EXACT_MASS: 364.2977451
+CH$SMILES: CCCCCCCCCCCCCCCC1=CC(=CC(=C1O)OC)OC
+CH$IUPAC: InChI=1S/C23H40O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-18-21(25-2)19-22(26-3)23(20)24/h18-19,24H,4-17H2,1-3H3
+CH$LINK: PUBCHEM CID:10021709
+CH$LINK: INCHIKEY VNEAIGHVYDWTTQ-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 8197282
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-392
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 17.703 min
+MS$FOCUSED_ION: BASE_PEAK 363.2902
+MS$FOCUSED_ION: PRECURSOR_M/Z 363.2905
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0a4i-0905000000-9e86cdb9299bcd6069c5
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  65.0397 C5H5- 1 65.0397 0.51
+  108.0218 C6H4O2- 1 108.0217 1.03
+  109.0297 C6H5O2- 1 109.0295 1.46
+  136.0165 C7H4O3- 1 136.0166 -0.95
+  150.032 C8H6O3- 1 150.0322 -1.84
+  305.2483 C20H33O2- 1 305.2486 -0.93
+  333.2433 C21H33O3- 1 333.2435 -0.59
+PK$NUM_PEAK: 7
+PK$PEAK: m/z int. rel.int.
+  65.0397 73979.2 22
+  108.0218 3308610.8 999
+  109.0297 284400.2 85
+  136.0165 194699.3 58
+  150.032 140075.2 42
+  305.2483 2365693.8 714
+  333.2433 196893 59
+//
diff --git a/Eawag/MSBNK-EAWAG-EC150301.txt b/Eawag/MSBNK-EAWAG-EC150301.txt
new file mode 100644
index 0000000000..16644aba31
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC150301.txt
@@ -0,0 +1,46 @@
+ACCESSION: MSBNK-EAWAG-EC150301
+RECORD_TITLE: Nostosin B; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], D. Fewer [dtc], J. Jokela [dtc], M. Wahlsten [dtc], T. Shishido [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://pubs.acs.org/doi/10.1021/np500106w
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1503
+CH$NAME: Nostosin B
+CH$NAME: N-(5-guanidino-1-hydroxypentan-2-yl)-2-(2-hydroxy-4-(4-hydroxyphenyl)butanamido)-3-methylpentanamide
+CH$NAME: (2S,3S)-N-[(2S)-5-(diaminomethylideneamino)-1-hydroxypentan-2-yl]-2-[[2-hydroxy-4-(4-hydroxyphenyl)butanoyl]amino]-3-methylpentanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C22H37N5O5
+CH$EXACT_MASS: 451.2794693
+CH$SMILES: OC1=CC=C(C=C1)CCC(C(N[C@H](C(N[C@@H](CCCNC(N)=N)CO)=O)[C@@H](C)CC)=O)O
+CH$IUPAC: InChI=1S/C22H37N5O5/c1-3-14(2)19(21(32)26-16(13-28)5-4-12-25-22(23)24)27-20(31)18(30)11-8-15-6-9-17(29)10-7-15/h6-7,9-10,14,16,18-19,28-30H,3-5,8,11-13H2,1-2H3,(H,26,32)(H,27,31)(H4,23,24,25)/t14-,16-,18?,19-/m0/s1
+CH$LINK: PUBCHEM CID:118711063
+CH$LINK: INCHIKEY NFEXMBMBZZNYQK-JEWWICQWSA-N
+CH$LINK: CHEMSPIDER 58114963
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-482
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.962 min
+MS$FOCUSED_ION: BASE_PEAK 132.9582
+MS$FOCUSED_ION: PRECURSOR_M/Z 452.2867
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0udi-0000900000-f4f40938ff66abf2295f
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  452.2865 C22H38N5O5+ 1 452.2867 -0.46
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  452.2865 515463.7 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC150302.txt b/Eawag/MSBNK-EAWAG-EC150302.txt
new file mode 100644
index 0000000000..14dadee96e
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC150302.txt
@@ -0,0 +1,46 @@
+ACCESSION: MSBNK-EAWAG-EC150302
+RECORD_TITLE: Nostosin B; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], D. Fewer [dtc], J. Jokela [dtc], M. Wahlsten [dtc], T. Shishido [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://pubs.acs.org/doi/10.1021/np500106w
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1503
+CH$NAME: Nostosin B
+CH$NAME: N-(5-guanidino-1-hydroxypentan-2-yl)-2-(2-hydroxy-4-(4-hydroxyphenyl)butanamido)-3-methylpentanamide
+CH$NAME: (2S,3S)-N-[(2S)-5-(diaminomethylideneamino)-1-hydroxypentan-2-yl]-2-[[2-hydroxy-4-(4-hydroxyphenyl)butanoyl]amino]-3-methylpentanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C22H37N5O5
+CH$EXACT_MASS: 451.2794693
+CH$SMILES: OC1=CC=C(C=C1)CCC(C(N[C@H](C(N[C@@H](CCCNC(N)=N)CO)=O)[C@@H](C)CC)=O)O
+CH$IUPAC: InChI=1S/C22H37N5O5/c1-3-14(2)19(21(32)26-16(13-28)5-4-12-25-22(23)24)27-20(31)18(30)11-8-15-6-9-17(29)10-7-15/h6-7,9-10,14,16,18-19,28-30H,3-5,8,11-13H2,1-2H3,(H,26,32)(H,27,31)(H4,23,24,25)/t14-,16-,18?,19-/m0/s1
+CH$LINK: PUBCHEM CID:118711063
+CH$LINK: INCHIKEY NFEXMBMBZZNYQK-JEWWICQWSA-N
+CH$LINK: CHEMSPIDER 58114963
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-482
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.962 min
+MS$FOCUSED_ION: BASE_PEAK 132.9582
+MS$FOCUSED_ION: PRECURSOR_M/Z 452.2867
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0udi-0000900000-4c23ec8c7c116da32c0c
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  452.2867 C22H38N5O5+ 1 452.2867 -0.12
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  452.2867 441096.2 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC150303.txt b/Eawag/MSBNK-EAWAG-EC150303.txt
new file mode 100644
index 0000000000..0f94ad3f0e
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC150303.txt
@@ -0,0 +1,48 @@
+ACCESSION: MSBNK-EAWAG-EC150303
+RECORD_TITLE: Nostosin B; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], D. Fewer [dtc], J. Jokela [dtc], M. Wahlsten [dtc], T. Shishido [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://pubs.acs.org/doi/10.1021/np500106w
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1503
+CH$NAME: Nostosin B
+CH$NAME: N-(5-guanidino-1-hydroxypentan-2-yl)-2-(2-hydroxy-4-(4-hydroxyphenyl)butanamido)-3-methylpentanamide
+CH$NAME: (2S,3S)-N-[(2S)-5-(diaminomethylideneamino)-1-hydroxypentan-2-yl]-2-[[2-hydroxy-4-(4-hydroxyphenyl)butanoyl]amino]-3-methylpentanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C22H37N5O5
+CH$EXACT_MASS: 451.2794693
+CH$SMILES: OC1=CC=C(C=C1)CCC(C(N[C@H](C(N[C@@H](CCCNC(N)=N)CO)=O)[C@@H](C)CC)=O)O
+CH$IUPAC: InChI=1S/C22H37N5O5/c1-3-14(2)19(21(32)26-16(13-28)5-4-12-25-22(23)24)27-20(31)18(30)11-8-15-6-9-17(29)10-7-15/h6-7,9-10,14,16,18-19,28-30H,3-5,8,11-13H2,1-2H3,(H,26,32)(H,27,31)(H4,23,24,25)/t14-,16-,18?,19-/m0/s1
+CH$LINK: PUBCHEM CID:118711063
+CH$LINK: INCHIKEY NFEXMBMBZZNYQK-JEWWICQWSA-N
+CH$LINK: CHEMSPIDER 58114963
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-482
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.962 min
+MS$FOCUSED_ION: BASE_PEAK 132.9582
+MS$FOCUSED_ION: PRECURSOR_M/Z 452.2867
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0udi-0000900000-6c72015dd68e9bd86fc4
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  144.1132 C6H14N3O+ 1 144.1131 0.59
+  452.2869 C22H38N5O5+ 1 452.2867 0.42
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  144.1132 19945 52
+  452.2869 379877.8 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC150304.txt b/Eawag/MSBNK-EAWAG-EC150304.txt
new file mode 100644
index 0000000000..f1125b237f
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC150304.txt
@@ -0,0 +1,46 @@
+ACCESSION: MSBNK-EAWAG-EC150304
+RECORD_TITLE: Nostosin B; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], D. Fewer [dtc], J. Jokela [dtc], M. Wahlsten [dtc], T. Shishido [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://pubs.acs.org/doi/10.1021/np500106w
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1503
+CH$NAME: Nostosin B
+CH$NAME: N-(5-guanidino-1-hydroxypentan-2-yl)-2-(2-hydroxy-4-(4-hydroxyphenyl)butanamido)-3-methylpentanamide
+CH$NAME: (2S,3S)-N-[(2S)-5-(diaminomethylideneamino)-1-hydroxypentan-2-yl]-2-[[2-hydroxy-4-(4-hydroxyphenyl)butanoyl]amino]-3-methylpentanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C22H37N5O5
+CH$EXACT_MASS: 451.2794693
+CH$SMILES: OC1=CC=C(C=C1)CCC(C(N[C@H](C(N[C@@H](CCCNC(N)=N)CO)=O)[C@@H](C)CC)=O)O
+CH$IUPAC: InChI=1S/C22H37N5O5/c1-3-14(2)19(21(32)26-16(13-28)5-4-12-25-22(23)24)27-20(31)18(30)11-8-15-6-9-17(29)10-7-15/h6-7,9-10,14,16,18-19,28-30H,3-5,8,11-13H2,1-2H3,(H,26,32)(H,27,31)(H4,23,24,25)/t14-,16-,18?,19-/m0/s1
+CH$LINK: PUBCHEM CID:118711063
+CH$LINK: INCHIKEY NFEXMBMBZZNYQK-JEWWICQWSA-N
+CH$LINK: CHEMSPIDER 58114963
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-482
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.962 min
+MS$FOCUSED_ION: BASE_PEAK 132.9582
+MS$FOCUSED_ION: PRECURSOR_M/Z 452.2867
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0udi-0000900000-eb70d1da90cb985e00d8
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  452.2871 C22H38N5O5+ 1 452.2867 0.69
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  452.2871 237381.5 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC150305.txt b/Eawag/MSBNK-EAWAG-EC150305.txt
new file mode 100644
index 0000000000..225d9c0509
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC150305.txt
@@ -0,0 +1,52 @@
+ACCESSION: MSBNK-EAWAG-EC150305
+RECORD_TITLE: Nostosin B; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], D. Fewer [dtc], J. Jokela [dtc], M. Wahlsten [dtc], T. Shishido [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://pubs.acs.org/doi/10.1021/np500106w
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1503
+CH$NAME: Nostosin B
+CH$NAME: N-(5-guanidino-1-hydroxypentan-2-yl)-2-(2-hydroxy-4-(4-hydroxyphenyl)butanamido)-3-methylpentanamide
+CH$NAME: (2S,3S)-N-[(2S)-5-(diaminomethylideneamino)-1-hydroxypentan-2-yl]-2-[[2-hydroxy-4-(4-hydroxyphenyl)butanoyl]amino]-3-methylpentanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C22H37N5O5
+CH$EXACT_MASS: 451.2794693
+CH$SMILES: OC1=CC=C(C=C1)CCC(C(N[C@H](C(N[C@@H](CCCNC(N)=N)CO)=O)[C@@H](C)CC)=O)O
+CH$IUPAC: InChI=1S/C22H37N5O5/c1-3-14(2)19(21(32)26-16(13-28)5-4-12-25-22(23)24)27-20(31)18(30)11-8-15-6-9-17(29)10-7-15/h6-7,9-10,14,16,18-19,28-30H,3-5,8,11-13H2,1-2H3,(H,26,32)(H,27,31)(H4,23,24,25)/t14-,16-,18?,19-/m0/s1
+CH$LINK: PUBCHEM CID:118711063
+CH$LINK: INCHIKEY NFEXMBMBZZNYQK-JEWWICQWSA-N
+CH$LINK: CHEMSPIDER 58114963
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-482
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.962 min
+MS$FOCUSED_ION: BASE_PEAK 132.9582
+MS$FOCUSED_ION: PRECURSOR_M/Z 452.2867
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-01pc-8970000000-151d95c197b099dac9f8
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  86.0965 C5H12N+ 1 86.0964 0.38
+  102.0913 C5H12NO+ 1 102.0913 -0.67
+  144.1132 C6H14N3O+ 1 144.1131 0.49
+  264.1597 C15H22NO3+ 1 264.1594 0.98
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  86.0965 128163.2 999
+  102.0913 48746.4 379
+  144.1132 91633 714
+  264.1597 116905.5 911
+//
diff --git a/Eawag/MSBNK-EAWAG-EC150306.txt b/Eawag/MSBNK-EAWAG-EC150306.txt
new file mode 100644
index 0000000000..7912e0c719
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC150306.txt
@@ -0,0 +1,52 @@
+ACCESSION: MSBNK-EAWAG-EC150306
+RECORD_TITLE: Nostosin B; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], D. Fewer [dtc], J. Jokela [dtc], M. Wahlsten [dtc], T. Shishido [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://pubs.acs.org/doi/10.1021/np500106w
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1503
+CH$NAME: Nostosin B
+CH$NAME: N-(5-guanidino-1-hydroxypentan-2-yl)-2-(2-hydroxy-4-(4-hydroxyphenyl)butanamido)-3-methylpentanamide
+CH$NAME: (2S,3S)-N-[(2S)-5-(diaminomethylideneamino)-1-hydroxypentan-2-yl]-2-[[2-hydroxy-4-(4-hydroxyphenyl)butanoyl]amino]-3-methylpentanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C22H37N5O5
+CH$EXACT_MASS: 451.2794693
+CH$SMILES: OC1=CC=C(C=C1)CCC(C(N[C@H](C(N[C@@H](CCCNC(N)=N)CO)=O)[C@@H](C)CC)=O)O
+CH$IUPAC: InChI=1S/C22H37N5O5/c1-3-14(2)19(21(32)26-16(13-28)5-4-12-25-22(23)24)27-20(31)18(30)11-8-15-6-9-17(29)10-7-15/h6-7,9-10,14,16,18-19,28-30H,3-5,8,11-13H2,1-2H3,(H,26,32)(H,27,31)(H4,23,24,25)/t14-,16-,18?,19-/m0/s1
+CH$LINK: PUBCHEM CID:118711063
+CH$LINK: INCHIKEY NFEXMBMBZZNYQK-JEWWICQWSA-N
+CH$LINK: CHEMSPIDER 58114963
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-482
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.962 min
+MS$FOCUSED_ION: BASE_PEAK 132.9582
+MS$FOCUSED_ION: PRECURSOR_M/Z 452.2867
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-000i-9300000000-66d5ea76ff245797719e
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  84.0808 C5H10N+ 1 84.0808 0.14
+  86.0964 C5H12N+ 1 86.0964 -0.15
+  102.0915 C5H12NO+ 1 102.0913 1.87
+  144.1132 C6H14N3O+ 1 144.1131 0.27
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  84.0808 20232.1 87
+  86.0964 232030.4 999
+  102.0915 53557.5 230
+  144.1132 39157 168
+//
diff --git a/Eawag/MSBNK-EAWAG-EC150307.txt b/Eawag/MSBNK-EAWAG-EC150307.txt
new file mode 100644
index 0000000000..0b23a030ee
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC150307.txt
@@ -0,0 +1,56 @@
+ACCESSION: MSBNK-EAWAG-EC150307
+RECORD_TITLE: Nostosin B; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], D. Fewer [dtc], J. Jokela [dtc], M. Wahlsten [dtc], T. Shishido [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://pubs.acs.org/doi/10.1021/np500106w
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1503
+CH$NAME: Nostosin B
+CH$NAME: N-(5-guanidino-1-hydroxypentan-2-yl)-2-(2-hydroxy-4-(4-hydroxyphenyl)butanamido)-3-methylpentanamide
+CH$NAME: (2S,3S)-N-[(2S)-5-(diaminomethylideneamino)-1-hydroxypentan-2-yl]-2-[[2-hydroxy-4-(4-hydroxyphenyl)butanoyl]amino]-3-methylpentanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C22H37N5O5
+CH$EXACT_MASS: 451.2794693
+CH$SMILES: OC1=CC=C(C=C1)CCC(C(N[C@H](C(N[C@@H](CCCNC(N)=N)CO)=O)[C@@H](C)CC)=O)O
+CH$IUPAC: InChI=1S/C22H37N5O5/c1-3-14(2)19(21(32)26-16(13-28)5-4-12-25-22(23)24)27-20(31)18(30)11-8-15-6-9-17(29)10-7-15/h6-7,9-10,14,16,18-19,28-30H,3-5,8,11-13H2,1-2H3,(H,26,32)(H,27,31)(H4,23,24,25)/t14-,16-,18?,19-/m0/s1
+CH$LINK: PUBCHEM CID:118711063
+CH$LINK: INCHIKEY NFEXMBMBZZNYQK-JEWWICQWSA-N
+CH$LINK: CHEMSPIDER 58114963
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-482
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.962 min
+MS$FOCUSED_ION: BASE_PEAK 132.9582
+MS$FOCUSED_ION: PRECURSOR_M/Z 452.2867
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-000i-9200000000-9ceb3adbcb19dc5ca789
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  69.07 C5H9+ 1 69.0699 2.12
+  84.0808 C5H10N+ 1 84.0808 0.42
+  86.0964 C5H12N+ 1 86.0964 0.12
+  102.0914 C5H12NO+ 1 102.0913 0.22
+  107.0494 C7H7O+ 1 107.0491 2.26
+  144.1131 C6H14N3O+ 1 144.1131 -0.47
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  69.07 21028.2 87
+  84.0808 24257.4 100
+  86.0964 241452.1 999
+  102.0914 52099.4 215
+  107.0494 18952.7 78
+  144.1131 19638.6 81
+//
diff --git a/Eawag/MSBNK-EAWAG-EC150308.txt b/Eawag/MSBNK-EAWAG-EC150308.txt
new file mode 100644
index 0000000000..16773f4223
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC150308.txt
@@ -0,0 +1,54 @@
+ACCESSION: MSBNK-EAWAG-EC150308
+RECORD_TITLE: Nostosin B; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], D. Fewer [dtc], J. Jokela [dtc], M. Wahlsten [dtc], T. Shishido [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://pubs.acs.org/doi/10.1021/np500106w
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1503
+CH$NAME: Nostosin B
+CH$NAME: N-(5-guanidino-1-hydroxypentan-2-yl)-2-(2-hydroxy-4-(4-hydroxyphenyl)butanamido)-3-methylpentanamide
+CH$NAME: (2S,3S)-N-[(2S)-5-(diaminomethylideneamino)-1-hydroxypentan-2-yl]-2-[[2-hydroxy-4-(4-hydroxyphenyl)butanoyl]amino]-3-methylpentanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C22H37N5O5
+CH$EXACT_MASS: 451.2794693
+CH$SMILES: OC1=CC=C(C=C1)CCC(C(N[C@H](C(N[C@@H](CCCNC(N)=N)CO)=O)[C@@H](C)CC)=O)O
+CH$IUPAC: InChI=1S/C22H37N5O5/c1-3-14(2)19(21(32)26-16(13-28)5-4-12-25-22(23)24)27-20(31)18(30)11-8-15-6-9-17(29)10-7-15/h6-7,9-10,14,16,18-19,28-30H,3-5,8,11-13H2,1-2H3,(H,26,32)(H,27,31)(H4,23,24,25)/t14-,16-,18?,19-/m0/s1
+CH$LINK: PUBCHEM CID:118711063
+CH$LINK: INCHIKEY NFEXMBMBZZNYQK-JEWWICQWSA-N
+CH$LINK: CHEMSPIDER 58114963
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-482
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.962 min
+MS$FOCUSED_ION: BASE_PEAK 132.9582
+MS$FOCUSED_ION: PRECURSOR_M/Z 452.2867
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-000i-9200000000-b7c485b8db6799d0acfc
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  69.0699 C5H9+ 1 69.0699 0.35
+  84.0806 C5H10N+ 1 84.0808 -2.21
+  86.0964 C5H12N+ 1 86.0964 0.21
+  102.0912 C5H12NO+ 1 102.0913 -1.12
+  107.0494 C7H7O+ 1 107.0491 2.83
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  69.0699 27360.4 120
+  84.0806 33612.5 147
+  86.0964 227333.6 999
+  102.0912 37150.2 163
+  107.0494 33128.2 145
+//
diff --git a/Eawag/MSBNK-EAWAG-EC150309.txt b/Eawag/MSBNK-EAWAG-EC150309.txt
new file mode 100644
index 0000000000..921a59600a
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC150309.txt
@@ -0,0 +1,54 @@
+ACCESSION: MSBNK-EAWAG-EC150309
+RECORD_TITLE: Nostosin B; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], D. Fewer [dtc], J. Jokela [dtc], M. Wahlsten [dtc], T. Shishido [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://pubs.acs.org/doi/10.1021/np500106w
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1503
+CH$NAME: Nostosin B
+CH$NAME: N-(5-guanidino-1-hydroxypentan-2-yl)-2-(2-hydroxy-4-(4-hydroxyphenyl)butanamido)-3-methylpentanamide
+CH$NAME: (2S,3S)-N-[(2S)-5-(diaminomethylideneamino)-1-hydroxypentan-2-yl]-2-[[2-hydroxy-4-(4-hydroxyphenyl)butanoyl]amino]-3-methylpentanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C22H37N5O5
+CH$EXACT_MASS: 451.2794693
+CH$SMILES: OC1=CC=C(C=C1)CCC(C(N[C@H](C(N[C@@H](CCCNC(N)=N)CO)=O)[C@@H](C)CC)=O)O
+CH$IUPAC: InChI=1S/C22H37N5O5/c1-3-14(2)19(21(32)26-16(13-28)5-4-12-25-22(23)24)27-20(31)18(30)11-8-15-6-9-17(29)10-7-15/h6-7,9-10,14,16,18-19,28-30H,3-5,8,11-13H2,1-2H3,(H,26,32)(H,27,31)(H4,23,24,25)/t14-,16-,18?,19-/m0/s1
+CH$LINK: PUBCHEM CID:118711063
+CH$LINK: INCHIKEY NFEXMBMBZZNYQK-JEWWICQWSA-N
+CH$LINK: CHEMSPIDER 58114963
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-482
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.962 min
+MS$FOCUSED_ION: BASE_PEAK 132.9582
+MS$FOCUSED_ION: PRECURSOR_M/Z 452.2867
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-000i-9200000000-de13a2abbbf2ffd145a1
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  69.07 C5H9+ 1 69.0699 1.46
+  84.0808 C5H10N+ 1 84.0808 0.6
+  86.0964 C5H12N+ 1 86.0964 -0.06
+  102.0913 C5H12NO+ 1 102.0913 -0.3
+  107.0491 C7H7O+ 1 107.0491 -0.38
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  69.07 44472.7 314
+  84.0808 32991.2 233
+  86.0964 141303.2 999
+  102.0913 22381.7 158
+  107.0491 29900.8 211
+//
diff --git a/Eawag/MSBNK-EAWAG-EC150401.txt b/Eawag/MSBNK-EAWAG-EC150401.txt
new file mode 100644
index 0000000000..9cd75691cd
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC150401.txt
@@ -0,0 +1,48 @@
+ACCESSION: MSBNK-EAWAG-EC150401
+RECORD_TITLE: Nostosin A; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], D. Fewer [dtc], J. Jokela [dtc], M. Wahlsten [dtc], T. Shishido [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://pubs.acs.org/doi/10.1021/np500106w
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1504
+CH$NAME: Nostosin A
+CH$NAME: N-(5-guanidino-1-oxopentan-2-yl)-2-(2-hydroxy-4-(4-hydroxyphenyl)butanamido)-3-methylpentanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C22H35N5O5
+CH$EXACT_MASS: 449.2638192
+CH$SMILES: OC1=CC=C(CCC(O)C(N[C@@H]([C@H](CC)C)C(N[C@H](C2O)CCCN2C(N)=N)=O)=O)C=C1
+CH$IUPAC: InChI=1S/C22H35N5O5/c1-3-13(2)18(20(31)25-16-5-4-12-27(21(16)32)22(23)24)26-19(30)17(29)11-8-14-6-9-15(28)10-7-14/h6-7,9-10,13,16-18,21,28-29,32H,3-5,8,11-12H2,1-2H3,(H3,23,24)(H,25,31)(H,26,30)/t13-,16-,17?,18-,21?/m0/s1
+CH$LINK: PUBCHEM CID:146683699
+CH$LINK: INCHIKEY MKNWXPPWASGIJB-MBFYVNQYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-480
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.273 min
+MS$FOCUSED_ION: BASE_PEAK 132.958
+MS$FOCUSED_ION: PRECURSOR_M/Z 450.2711
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0ue9-0000900000-6b94ffbac4148fb8e3bd
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  390.2382 C21H32N3O4+ 1 390.2387 -1.4
+  432.2601 C22H34N5O4+ 1 432.2605 -1.01
+  450.2707 C22H36N5O5+ 1 450.2711 -0.82
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  390.2382 61466.8 58
+  432.2601 925209.4 880
+  450.2707 1050162.4 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC150402.txt b/Eawag/MSBNK-EAWAG-EC150402.txt
new file mode 100644
index 0000000000..5fad66cadc
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC150402.txt
@@ -0,0 +1,48 @@
+ACCESSION: MSBNK-EAWAG-EC150402
+RECORD_TITLE: Nostosin A; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], D. Fewer [dtc], J. Jokela [dtc], M. Wahlsten [dtc], T. Shishido [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://pubs.acs.org/doi/10.1021/np500106w
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1504
+CH$NAME: Nostosin A
+CH$NAME: N-(5-guanidino-1-oxopentan-2-yl)-2-(2-hydroxy-4-(4-hydroxyphenyl)butanamido)-3-methylpentanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C22H35N5O5
+CH$EXACT_MASS: 449.2638192
+CH$SMILES: OC1=CC=C(CCC(O)C(N[C@@H]([C@H](CC)C)C(N[C@H](C2O)CCCN2C(N)=N)=O)=O)C=C1
+CH$IUPAC: InChI=1S/C22H35N5O5/c1-3-13(2)18(20(31)25-16-5-4-12-27(21(16)32)22(23)24)26-19(30)17(29)11-8-14-6-9-15(28)10-7-14/h6-7,9-10,13,16-18,21,28-29,32H,3-5,8,11-12H2,1-2H3,(H3,23,24)(H,25,31)(H,26,30)/t13-,16-,17?,18-,21?/m0/s1
+CH$LINK: PUBCHEM CID:146683699
+CH$LINK: INCHIKEY MKNWXPPWASGIJB-MBFYVNQYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-480
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.273 min
+MS$FOCUSED_ION: BASE_PEAK 132.958
+MS$FOCUSED_ION: PRECURSOR_M/Z 450.2711
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0f89-0000900000-5a6cb54cd210cb1b2232
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  390.2381 C21H32N3O4+ 1 390.2387 -1.63
+  432.2603 C22H34N5O4+ 1 432.2605 -0.59
+  450.271 C22H36N5O5+ 1 450.2711 -0.27
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  390.2381 104595.1 115
+  432.2603 902037.4 999
+  450.271 634657.2 702
+//
diff --git a/Eawag/MSBNK-EAWAG-EC150403.txt b/Eawag/MSBNK-EAWAG-EC150403.txt
new file mode 100644
index 0000000000..8737b7069a
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC150403.txt
@@ -0,0 +1,52 @@
+ACCESSION: MSBNK-EAWAG-EC150403
+RECORD_TITLE: Nostosin A; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], D. Fewer [dtc], J. Jokela [dtc], M. Wahlsten [dtc], T. Shishido [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://pubs.acs.org/doi/10.1021/np500106w
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1504
+CH$NAME: Nostosin A
+CH$NAME: N-(5-guanidino-1-oxopentan-2-yl)-2-(2-hydroxy-4-(4-hydroxyphenyl)butanamido)-3-methylpentanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C22H35N5O5
+CH$EXACT_MASS: 449.2638192
+CH$SMILES: OC1=CC=C(CCC(O)C(N[C@@H]([C@H](CC)C)C(N[C@H](C2O)CCCN2C(N)=N)=O)=O)C=C1
+CH$IUPAC: InChI=1S/C22H35N5O5/c1-3-13(2)18(20(31)25-16-5-4-12-27(21(16)32)22(23)24)26-19(30)17(29)11-8-14-6-9-15(28)10-7-14/h6-7,9-10,13,16-18,21,28-29,32H,3-5,8,11-12H2,1-2H3,(H3,23,24)(H,25,31)(H,26,30)/t13-,16-,17?,18-,21?/m0/s1
+CH$LINK: PUBCHEM CID:146683699
+CH$LINK: INCHIKEY MKNWXPPWASGIJB-MBFYVNQYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-480
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.273 min
+MS$FOCUSED_ION: BASE_PEAK 132.958
+MS$FOCUSED_ION: PRECURSOR_M/Z 450.2711
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0f89-0000900000-0896f72dd7f0250e960b
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  99.0915 C5H11N2+ 1 99.0917 -1.43
+  141.1132 C6H13N4+ 1 141.1135 -2.14
+  390.2389 C21H32N3O4+ 1 390.2387 0.48
+  432.2604 C22H34N5O4+ 1 432.2605 -0.38
+  450.2709 C22H36N5O5+ 1 450.2711 -0.54
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  99.0915 98220.1 117
+  141.1132 11667.8 13
+  390.2389 129031.8 153
+  432.2604 837049.9 999
+  450.2709 443919.2 529
+//
diff --git a/Eawag/MSBNK-EAWAG-EC150404.txt b/Eawag/MSBNK-EAWAG-EC150404.txt
new file mode 100644
index 0000000000..2803a4da3d
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC150404.txt
@@ -0,0 +1,58 @@
+ACCESSION: MSBNK-EAWAG-EC150404
+RECORD_TITLE: Nostosin A; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], D. Fewer [dtc], J. Jokela [dtc], M. Wahlsten [dtc], T. Shishido [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://pubs.acs.org/doi/10.1021/np500106w
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1504
+CH$NAME: Nostosin A
+CH$NAME: N-(5-guanidino-1-oxopentan-2-yl)-2-(2-hydroxy-4-(4-hydroxyphenyl)butanamido)-3-methylpentanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C22H35N5O5
+CH$EXACT_MASS: 449.2638192
+CH$SMILES: OC1=CC=C(CCC(O)C(N[C@@H]([C@H](CC)C)C(N[C@H](C2O)CCCN2C(N)=N)=O)=O)C=C1
+CH$IUPAC: InChI=1S/C22H35N5O5/c1-3-13(2)18(20(31)25-16-5-4-12-27(21(16)32)22(23)24)26-19(30)17(29)11-8-14-6-9-15(28)10-7-14/h6-7,9-10,13,16-18,21,28-29,32H,3-5,8,11-12H2,1-2H3,(H3,23,24)(H,25,31)(H,26,30)/t13-,16-,17?,18-,21?/m0/s1
+CH$LINK: PUBCHEM CID:146683699
+CH$LINK: INCHIKEY MKNWXPPWASGIJB-MBFYVNQYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-480
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.273 min
+MS$FOCUSED_ION: BASE_PEAK 132.958
+MS$FOCUSED_ION: PRECURSOR_M/Z 450.2711
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-001i-3011900000-4f1c9dbc8a16d947969e
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  86.0964 C5H12N+ 1 86.0964 -0.33
+  99.0916 C5H11N2+ 1 99.0917 -0.81
+  141.1132 C6H13N4+ 1 141.1135 -1.6
+  264.1586 C15H22NO3+ 2 264.1594 -2.95
+  292.154 C16H22NO4+ 2 292.1543 -1.01
+  390.2377 C21H32N3O4+ 1 390.2387 -2.65
+  432.2602 C22H34N5O4+ 1 432.2605 -0.8
+  450.2716 C22H36N5O5+ 1 450.2711 1.15
+PK$NUM_PEAK: 8
+PK$PEAK: m/z int. rel.int.
+  86.0964 38474.8 62
+  99.0916 294163.8 480
+  141.1132 45550.9 74
+  264.1586 154565.4 252
+  292.154 20272.1 33
+  390.2377 112278.3 183
+  432.2602 612222.7 999
+  450.2716 203174.3 331
+//
diff --git a/Eawag/MSBNK-EAWAG-EC150405.txt b/Eawag/MSBNK-EAWAG-EC150405.txt
new file mode 100644
index 0000000000..be102742b7
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC150405.txt
@@ -0,0 +1,60 @@
+ACCESSION: MSBNK-EAWAG-EC150405
+RECORD_TITLE: Nostosin A; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], D. Fewer [dtc], J. Jokela [dtc], M. Wahlsten [dtc], T. Shishido [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://pubs.acs.org/doi/10.1021/np500106w
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1504
+CH$NAME: Nostosin A
+CH$NAME: N-(5-guanidino-1-oxopentan-2-yl)-2-(2-hydroxy-4-(4-hydroxyphenyl)butanamido)-3-methylpentanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C22H35N5O5
+CH$EXACT_MASS: 449.2638192
+CH$SMILES: OC1=CC=C(CCC(O)C(N[C@@H]([C@H](CC)C)C(N[C@H](C2O)CCCN2C(N)=N)=O)=O)C=C1
+CH$IUPAC: InChI=1S/C22H35N5O5/c1-3-13(2)18(20(31)25-16-5-4-12-27(21(16)32)22(23)24)26-19(30)17(29)11-8-14-6-9-15(28)10-7-14/h6-7,9-10,13,16-18,21,28-29,32H,3-5,8,11-12H2,1-2H3,(H3,23,24)(H,25,31)(H,26,30)/t13-,16-,17?,18-,21?/m0/s1
+CH$LINK: PUBCHEM CID:146683699
+CH$LINK: INCHIKEY MKNWXPPWASGIJB-MBFYVNQYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-480
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.273 min
+MS$FOCUSED_ION: BASE_PEAK 132.958
+MS$FOCUSED_ION: PRECURSOR_M/Z 450.2711
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-01p2-9130100000-22615d331673b5fd8fa3
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  82.0652 C5H8N+ 1 82.0651 0.82
+  86.0964 C5H12N+ 1 86.0964 -0.77
+  99.0916 C5H11N2+ 1 99.0917 -0.73
+  100.0755 C5H10NO+ 1 100.0757 -2.12
+  141.1133 C6H13N4+ 1 141.1135 -1.38
+  142.0974 C6H12N3O+ 1 142.0975 -0.9
+  264.159 C15H22NO3+ 2 264.1594 -1.68
+  390.2386 C21H32N3O4+ 1 390.2387 -0.38
+  432.2605 C22H34N5O4+ 1 432.2605 -0.02
+PK$NUM_PEAK: 9
+PK$PEAK: m/z int. rel.int.
+  82.0652 36119.3 66
+  86.0964 321221.2 590
+  99.0916 543490.8 999
+  100.0755 43894.6 80
+  141.1133 98947.9 181
+  142.0974 42115.7 77
+  264.159 354325.2 651
+  390.2386 27688.1 50
+  432.2605 131503.2 241
+//
diff --git a/Eawag/MSBNK-EAWAG-EC150406.txt b/Eawag/MSBNK-EAWAG-EC150406.txt
new file mode 100644
index 0000000000..136ab13f99
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC150406.txt
@@ -0,0 +1,60 @@
+ACCESSION: MSBNK-EAWAG-EC150406
+RECORD_TITLE: Nostosin A; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], D. Fewer [dtc], J. Jokela [dtc], M. Wahlsten [dtc], T. Shishido [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://pubs.acs.org/doi/10.1021/np500106w
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1504
+CH$NAME: Nostosin A
+CH$NAME: N-(5-guanidino-1-oxopentan-2-yl)-2-(2-hydroxy-4-(4-hydroxyphenyl)butanamido)-3-methylpentanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C22H35N5O5
+CH$EXACT_MASS: 449.2638192
+CH$SMILES: OC1=CC=C(CCC(O)C(N[C@@H]([C@H](CC)C)C(N[C@H](C2O)CCCN2C(N)=N)=O)=O)C=C1
+CH$IUPAC: InChI=1S/C22H35N5O5/c1-3-13(2)18(20(31)25-16-5-4-12-27(21(16)32)22(23)24)26-19(30)17(29)11-8-14-6-9-15(28)10-7-14/h6-7,9-10,13,16-18,21,28-29,32H,3-5,8,11-12H2,1-2H3,(H3,23,24)(H,25,31)(H,26,30)/t13-,16-,17?,18-,21?/m0/s1
+CH$LINK: PUBCHEM CID:146683699
+CH$LINK: INCHIKEY MKNWXPPWASGIJB-MBFYVNQYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-480
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.273 min
+MS$FOCUSED_ION: BASE_PEAK 132.958
+MS$FOCUSED_ION: PRECURSOR_M/Z 450.2711
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-000j-9100000000-d30be2731759a4af6f8f
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  69.0698 C5H9+ 1 69.0699 -1.31
+  82.065 C5H8N+ 1 82.0651 -1.04
+  86.0964 C5H12N+ 1 86.0964 -0.68
+  99.0916 C5H11N2+ 1 99.0917 -0.5
+  100.0756 C5H10NO+ 1 100.0757 -1.05
+  107.049 C7H7O+ 1 107.0491 -0.95
+  141.1135 C6H13N4+ 1 141.1135 0.35
+  142.0975 C6H12N3O+ 1 142.0975 0.28
+  264.1589 C15H22NO3+ 2 264.1594 -1.91
+PK$NUM_PEAK: 9
+PK$PEAK: m/z int. rel.int.
+  69.0698 15331.3 23
+  82.065 65409.4 101
+  86.0964 643016.6 999
+  99.0916 407654.9 633
+  100.0756 79483.4 123
+  107.049 36106 56
+  141.1135 70325.5 109
+  142.0975 26621.7 41
+  264.1589 122607.4 190
+//
diff --git a/Eawag/MSBNK-EAWAG-EC150407.txt b/Eawag/MSBNK-EAWAG-EC150407.txt
new file mode 100644
index 0000000000..e825d6f414
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC150407.txt
@@ -0,0 +1,62 @@
+ACCESSION: MSBNK-EAWAG-EC150407
+RECORD_TITLE: Nostosin A; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], D. Fewer [dtc], J. Jokela [dtc], M. Wahlsten [dtc], T. Shishido [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://pubs.acs.org/doi/10.1021/np500106w
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1504
+CH$NAME: Nostosin A
+CH$NAME: N-(5-guanidino-1-oxopentan-2-yl)-2-(2-hydroxy-4-(4-hydroxyphenyl)butanamido)-3-methylpentanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C22H35N5O5
+CH$EXACT_MASS: 449.2638192
+CH$SMILES: OC1=CC=C(CCC(O)C(N[C@@H]([C@H](CC)C)C(N[C@H](C2O)CCCN2C(N)=N)=O)=O)C=C1
+CH$IUPAC: InChI=1S/C22H35N5O5/c1-3-13(2)18(20(31)25-16-5-4-12-27(21(16)32)22(23)24)26-19(30)17(29)11-8-14-6-9-15(28)10-7-14/h6-7,9-10,13,16-18,21,28-29,32H,3-5,8,11-12H2,1-2H3,(H3,23,24)(H,25,31)(H,26,30)/t13-,16-,17?,18-,21?/m0/s1
+CH$LINK: PUBCHEM CID:146683699
+CH$LINK: INCHIKEY MKNWXPPWASGIJB-MBFYVNQYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-480
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.273 min
+MS$FOCUSED_ION: BASE_PEAK 132.958
+MS$FOCUSED_ION: PRECURSOR_M/Z 450.2711
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-000i-9100000000-7ebe8bcab48e731745b4
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  69.0698 C5H9+ 1 69.0699 -1.31
+  82.0651 C5H8N+ 1 82.0651 -0.67
+  86.0964 C5H12N+ 1 86.0964 -0.77
+  98.0838 C5H10N2+ 1 98.0838 -0.98
+  99.0916 C5H11N2+ 1 99.0917 -0.73
+  100.0756 C5H10NO+ 1 100.0757 -0.52
+  107.0491 C7H7O+ 1 107.0491 -0.59
+  124.0871 C6H10N3+ 1 124.0869 1.23
+  141.1132 C6H13N4+ 1 141.1135 -1.92
+  264.1594 C15H22NO3+ 1 264.1594 0.06
+PK$NUM_PEAK: 10
+PK$PEAK: m/z int. rel.int.
+  69.0698 70650.2 85
+  82.0651 120429.7 145
+  86.0964 827632.8 999
+  98.0838 17809.8 21
+  99.0916 289967.2 350
+  100.0756 94618.7 114
+  107.0491 85382.4 103
+  124.0871 17269.6 20
+  141.1132 49347.2 59
+  264.1594 18967.3 22
+//
diff --git a/Eawag/MSBNK-EAWAG-EC150408.txt b/Eawag/MSBNK-EAWAG-EC150408.txt
new file mode 100644
index 0000000000..406a7d7fc1
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC150408.txt
@@ -0,0 +1,58 @@
+ACCESSION: MSBNK-EAWAG-EC150408
+RECORD_TITLE: Nostosin A; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], D. Fewer [dtc], J. Jokela [dtc], M. Wahlsten [dtc], T. Shishido [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://pubs.acs.org/doi/10.1021/np500106w
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1504
+CH$NAME: Nostosin A
+CH$NAME: N-(5-guanidino-1-oxopentan-2-yl)-2-(2-hydroxy-4-(4-hydroxyphenyl)butanamido)-3-methylpentanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C22H35N5O5
+CH$EXACT_MASS: 449.2638192
+CH$SMILES: OC1=CC=C(CCC(O)C(N[C@@H]([C@H](CC)C)C(N[C@H](C2O)CCCN2C(N)=N)=O)=O)C=C1
+CH$IUPAC: InChI=1S/C22H35N5O5/c1-3-13(2)18(20(31)25-16-5-4-12-27(21(16)32)22(23)24)26-19(30)17(29)11-8-14-6-9-15(28)10-7-14/h6-7,9-10,13,16-18,21,28-29,32H,3-5,8,11-12H2,1-2H3,(H3,23,24)(H,25,31)(H,26,30)/t13-,16-,17?,18-,21?/m0/s1
+CH$LINK: PUBCHEM CID:146683699
+CH$LINK: INCHIKEY MKNWXPPWASGIJB-MBFYVNQYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-480
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.273 min
+MS$FOCUSED_ION: BASE_PEAK 132.958
+MS$FOCUSED_ION: PRECURSOR_M/Z 450.2711
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-000i-9100000000-5f2ea666641ae896c814
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  44.0494 C2H6N+ 1 44.0495 -1.07
+  69.0698 C5H9+ 1 69.0699 -1.08
+  70.0652 C4H8N+ 1 70.0651 0.46
+  82.0651 C5H8N+ 1 82.0651 -0.67
+  86.0964 C5H12N+ 1 86.0964 -0.59
+  99.0917 C5H11N2+ 1 99.0917 -0.12
+  100.0757 C5H10NO+ 1 100.0757 -0.06
+  107.0492 C7H7O+ 1 107.0491 0.12
+PK$NUM_PEAK: 8
+PK$PEAK: m/z int. rel.int.
+  44.0494 18973.2 29
+  69.0698 108226 170
+  70.0652 22691 35
+  82.0651 149545.7 234
+  86.0964 635850.1 999
+  99.0917 186662.3 293
+  100.0757 87063.6 136
+  107.0492 109930.8 172
+//
diff --git a/Eawag/MSBNK-EAWAG-EC150409.txt b/Eawag/MSBNK-EAWAG-EC150409.txt
new file mode 100644
index 0000000000..60025eb8f7
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC150409.txt
@@ -0,0 +1,62 @@
+ACCESSION: MSBNK-EAWAG-EC150409
+RECORD_TITLE: Nostosin A; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], D. Fewer [dtc], J. Jokela [dtc], M. Wahlsten [dtc], T. Shishido [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://pubs.acs.org/doi/10.1021/np500106w
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1504
+CH$NAME: Nostosin A
+CH$NAME: N-(5-guanidino-1-oxopentan-2-yl)-2-(2-hydroxy-4-(4-hydroxyphenyl)butanamido)-3-methylpentanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C22H35N5O5
+CH$EXACT_MASS: 449.2638192
+CH$SMILES: OC1=CC=C(CCC(O)C(N[C@@H]([C@H](CC)C)C(N[C@H](C2O)CCCN2C(N)=N)=O)=O)C=C1
+CH$IUPAC: InChI=1S/C22H35N5O5/c1-3-13(2)18(20(31)25-16-5-4-12-27(21(16)32)22(23)24)26-19(30)17(29)11-8-14-6-9-15(28)10-7-14/h6-7,9-10,13,16-18,21,28-29,32H,3-5,8,11-12H2,1-2H3,(H3,23,24)(H,25,31)(H,26,30)/t13-,16-,17?,18-,21?/m0/s1
+CH$LINK: PUBCHEM CID:146683699
+CH$LINK: INCHIKEY MKNWXPPWASGIJB-MBFYVNQYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-480
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.273 min
+MS$FOCUSED_ION: BASE_PEAK 132.958
+MS$FOCUSED_ION: PRECURSOR_M/Z 450.2711
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-000i-9100000000-0e874bb2105fd6a71e09
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  44.0496 C2H6N+ 1 44.0495 2.04
+  69.0699 C5H9+ 1 69.0699 -0.09
+  70.0652 C4H8N+ 1 70.0651 0.57
+  82.0651 C5H8N+ 1 82.0651 -0.39
+  86.0964 C5H12N+ 1 86.0964 -0.41
+  97.076 C5H9N2+ 1 97.076 0.26
+  98.0839 C5H10N2+ 1 98.0838 0.58
+  99.0916 C5H11N2+ 1 99.0917 -0.89
+  100.0757 C5H10NO+ 1 100.0757 -0.37
+  107.0491 C7H7O+ 1 107.0491 -0.38
+PK$NUM_PEAK: 10
+PK$PEAK: m/z int. rel.int.
+  44.0496 21761.5 44
+  69.0699 142006.1 290
+  70.0652 27458.9 56
+  82.0651 142300.3 291
+  86.0964 488323.8 999
+  97.076 19221 39
+  98.0839 23471.2 48
+  99.0916 88569.7 181
+  100.0757 67347.7 137
+  107.0491 127467.7 260
+//
diff --git a/Eawag/MSBNK-EAWAG-EC182301.txt b/Eawag/MSBNK-EAWAG-EC182301.txt
new file mode 100644
index 0000000000..2cca9c5e05
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC182301.txt
@@ -0,0 +1,49 @@
+ACCESSION: MSBNK-EAWAG-EC182301
+RECORD_TITLE: MC-LR; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], K. Thomas [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.4224/crm.2013.mclr.20070131
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1823
+CH$NAME: MC-LR
+CH$NAME: Microcystin-LR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C49H74N10O12
+CH$EXACT_MASS: 994.5487678
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C49H74N10O12/c1-26(2)23-37-46(66)58-40(48(69)70)30(6)42(62)55-35(17-14-22-52-49(50)51)45(65)54-34(19-18-27(3)24-28(4)38(71-10)25-33-15-12-11-13-16-33)29(5)41(61)56-36(47(67)68)20-21-39(60)59(9)32(8)44(64)53-31(7)43(63)57-37/h11-13,15-16,18-19,24,26,28-31,34-38,40H,8,14,17,20-23,25H2,1-7,9-10H3,(H,53,64)(H,54,65)(H,55,62)(H,56,61)(H,57,63)(H,58,66)(H,67,68)(H,69,70)(H4,50,51,52)/b19-18+,27-24+/t28-,29-,30-,31+,34-,35-,36+,37-,38-,40+/m0/s1
+CH$LINK: CAS 101043-37-2
+CH$LINK: CHEBI 6925
+CH$LINK: KEGG C05371
+CH$LINK: PUBCHEM CID:445434
+CH$LINK: INCHIKEY ZYZCGGRZINLQBL-GWRQVWKTSA-N
+CH$LINK: CHEMSPIDER 393078
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1036
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 15.080 min
+MS$FOCUSED_ION: BASE_PEAK 498.2806
+MS$FOCUSED_ION: PRECURSOR_M/Z 995.556
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0002-0000000009-a6443da732bf28fc921f
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  995.5542 C49H75N10O12+ 1 995.556 -1.89
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  995.5542 14912966 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC182302.txt b/Eawag/MSBNK-EAWAG-EC182302.txt
new file mode 100644
index 0000000000..fc96f24439
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC182302.txt
@@ -0,0 +1,49 @@
+ACCESSION: MSBNK-EAWAG-EC182302
+RECORD_TITLE: MC-LR; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], K. Thomas [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.4224/crm.2013.mclr.20070131
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1823
+CH$NAME: MC-LR
+CH$NAME: Microcystin-LR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C49H74N10O12
+CH$EXACT_MASS: 994.5487678
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C49H74N10O12/c1-26(2)23-37-46(66)58-40(48(69)70)30(6)42(62)55-35(17-14-22-52-49(50)51)45(65)54-34(19-18-27(3)24-28(4)38(71-10)25-33-15-12-11-13-16-33)29(5)41(61)56-36(47(67)68)20-21-39(60)59(9)32(8)44(64)53-31(7)43(63)57-37/h11-13,15-16,18-19,24,26,28-31,34-38,40H,8,14,17,20-23,25H2,1-7,9-10H3,(H,53,64)(H,54,65)(H,55,62)(H,56,61)(H,57,63)(H,58,66)(H,67,68)(H,69,70)(H4,50,51,52)/b19-18+,27-24+/t28-,29-,30-,31+,34-,35-,36+,37-,38-,40+/m0/s1
+CH$LINK: CAS 101043-37-2
+CH$LINK: CHEBI 6925
+CH$LINK: KEGG C05371
+CH$LINK: PUBCHEM CID:445434
+CH$LINK: INCHIKEY ZYZCGGRZINLQBL-GWRQVWKTSA-N
+CH$LINK: CHEMSPIDER 393078
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1036
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 15.080 min
+MS$FOCUSED_ION: BASE_PEAK 498.2806
+MS$FOCUSED_ION: PRECURSOR_M/Z 995.556
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0002-0000000009-a6443da732bf28fc921f
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  995.5542 C49H75N10O12+ 1 995.556 -1.83
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  995.5542 9006423 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC182303.txt b/Eawag/MSBNK-EAWAG-EC182303.txt
new file mode 100644
index 0000000000..9406c8cfaf
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC182303.txt
@@ -0,0 +1,49 @@
+ACCESSION: MSBNK-EAWAG-EC182303
+RECORD_TITLE: MC-LR; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], K. Thomas [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.4224/crm.2013.mclr.20070131
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1823
+CH$NAME: MC-LR
+CH$NAME: Microcystin-LR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C49H74N10O12
+CH$EXACT_MASS: 994.5487678
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C49H74N10O12/c1-26(2)23-37-46(66)58-40(48(69)70)30(6)42(62)55-35(17-14-22-52-49(50)51)45(65)54-34(19-18-27(3)24-28(4)38(71-10)25-33-15-12-11-13-16-33)29(5)41(61)56-36(47(67)68)20-21-39(60)59(9)32(8)44(64)53-31(7)43(63)57-37/h11-13,15-16,18-19,24,26,28-31,34-38,40H,8,14,17,20-23,25H2,1-7,9-10H3,(H,53,64)(H,54,65)(H,55,62)(H,56,61)(H,57,63)(H,58,66)(H,67,68)(H,69,70)(H4,50,51,52)/b19-18+,27-24+/t28-,29-,30-,31+,34-,35-,36+,37-,38-,40+/m0/s1
+CH$LINK: CAS 101043-37-2
+CH$LINK: CHEBI 6925
+CH$LINK: KEGG C05371
+CH$LINK: PUBCHEM CID:445434
+CH$LINK: INCHIKEY ZYZCGGRZINLQBL-GWRQVWKTSA-N
+CH$LINK: CHEMSPIDER 393078
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1036
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 15.080 min
+MS$FOCUSED_ION: BASE_PEAK 498.2806
+MS$FOCUSED_ION: PRECURSOR_M/Z 995.556
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0002-0000000009-c5ca5ea05abbf548d9fc
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  995.5543 C49H75N10O12+ 1 995.556 -1.71
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  995.5543 5543101 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC182304.txt b/Eawag/MSBNK-EAWAG-EC182304.txt
new file mode 100644
index 0000000000..f12cc425ec
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC182304.txt
@@ -0,0 +1,85 @@
+ACCESSION: MSBNK-EAWAG-EC182304
+RECORD_TITLE: MC-LR; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], K. Thomas [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.4224/crm.2013.mclr.20070131
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1823
+CH$NAME: MC-LR
+CH$NAME: Microcystin-LR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C49H74N10O12
+CH$EXACT_MASS: 994.5487678
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C49H74N10O12/c1-26(2)23-37-46(66)58-40(48(69)70)30(6)42(62)55-35(17-14-22-52-49(50)51)45(65)54-34(19-18-27(3)24-28(4)38(71-10)25-33-15-12-11-13-16-33)29(5)41(61)56-36(47(67)68)20-21-39(60)59(9)32(8)44(64)53-31(7)43(63)57-37/h11-13,15-16,18-19,24,26,28-31,34-38,40H,8,14,17,20-23,25H2,1-7,9-10H3,(H,53,64)(H,54,65)(H,55,62)(H,56,61)(H,57,63)(H,58,66)(H,67,68)(H,69,70)(H4,50,51,52)/b19-18+,27-24+/t28-,29-,30-,31+,34-,35-,36+,37-,38-,40+/m0/s1
+CH$LINK: CAS 101043-37-2
+CH$LINK: CHEBI 6925
+CH$LINK: KEGG C05371
+CH$LINK: PUBCHEM CID:445434
+CH$LINK: INCHIKEY ZYZCGGRZINLQBL-GWRQVWKTSA-N
+CH$LINK: CHEMSPIDER 393078
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1036
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 15.080 min
+MS$FOCUSED_ION: BASE_PEAK 498.2806
+MS$FOCUSED_ION: PRECURSOR_M/Z 995.556
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-01p2-0942000005-228038530f0c5a3d568d
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  86.0963 C5H12N+ 1 86.0964 -1.56
+  107.0853 C8H11+ 1 107.0855 -1.97
+  112.0868 C5H10N3+ 1 112.0869 -0.93
+  127.0861 C6H11N2O+ 1 127.0866 -3.92
+  135.0801 C9H11O+ 1 135.0804 -2.41
+  135.1165 C10H15+ 1 135.1168 -2.47
+  155.0808 C5H9N5O+ 2 155.0802 4.39
+  157.1077 C6H13N4O+ 3 157.1084 -4.62
+  163.1111 C11H15O+ 2 163.1117 -3.75
+  174.1338 C5H20NO5+ 2 174.1336 1.2
+  200.1137 C6H18NO6+ 3 200.1129 4.39
+  213.086 C7H11N5O3+ 2 213.0856 1.51
+  239.0653 C9H5N9+ 3 239.0662 -3.76
+  244.1276 C8H16N6O3+ 3 244.1278 -0.82
+  246.148 H26N2O12+ 3 246.148 -0.25
+  258.1852 C17H24NO+ 4 258.1852 -0.03
+  286.1481 C8H22N4O7+ 3 286.1483 -0.65
+  375.1907 C19H21N9+ 5 375.1914 -2.08
+  995.5553 C49H75N10O12+ 1 995.556 -0.79
+PK$NUM_PEAK: 19
+PK$PEAK: m/z int. rel.int.
+  86.0963 286093.6 162
+  107.0853 172731.4 97
+  112.0868 146447.7 83
+  127.0861 88446.1 50
+  135.0801 649102.5 368
+  135.1165 265644.9 150
+  155.0808 294214.9 166
+  157.1077 204929.8 116
+  163.1111 408207.4 231
+  174.1338 473789.2 268
+  200.1137 139587 79
+  213.086 546619.3 310
+  239.0653 47082.9 26
+  244.1276 109470.1 62
+  246.148 112683.9 63
+  258.1852 230428.2 130
+  286.1481 288245.9 163
+  375.1907 796491.6 451
+  995.5553 1761389.1 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC182305.txt b/Eawag/MSBNK-EAWAG-EC182305.txt
new file mode 100644
index 0000000000..1da56f84e9
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC182305.txt
@@ -0,0 +1,127 @@
+ACCESSION: MSBNK-EAWAG-EC182305
+RECORD_TITLE: MC-LR; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], K. Thomas [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.4224/crm.2013.mclr.20070131
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1823
+CH$NAME: MC-LR
+CH$NAME: Microcystin-LR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C49H74N10O12
+CH$EXACT_MASS: 994.5487678
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C49H74N10O12/c1-26(2)23-37-46(66)58-40(48(69)70)30(6)42(62)55-35(17-14-22-52-49(50)51)45(65)54-34(19-18-27(3)24-28(4)38(71-10)25-33-15-12-11-13-16-33)29(5)41(61)56-36(47(67)68)20-21-39(60)59(9)32(8)44(64)53-31(7)43(63)57-37/h11-13,15-16,18-19,24,26,28-31,34-38,40H,8,14,17,20-23,25H2,1-7,9-10H3,(H,53,64)(H,54,65)(H,55,62)(H,56,61)(H,57,63)(H,58,66)(H,67,68)(H,69,70)(H4,50,51,52)/b19-18+,27-24+/t28-,29-,30-,31+,34-,35-,36+,37-,38-,40+/m0/s1
+CH$LINK: CAS 101043-37-2
+CH$LINK: CHEBI 6925
+CH$LINK: KEGG C05371
+CH$LINK: PUBCHEM CID:445434
+CH$LINK: INCHIKEY ZYZCGGRZINLQBL-GWRQVWKTSA-N
+CH$LINK: CHEMSPIDER 393078
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1036
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 15.080 min
+MS$FOCUSED_ION: BASE_PEAK 498.2806
+MS$FOCUSED_ION: PRECURSOR_M/Z 995.556
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-000i-2930000000-538318c71be5e2f9e793
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  56.0494 C3H6N+ 1 56.0495 -1.24
+  60.0556 CH6N3+ 1 60.0556 -0.77
+  70.065 C4H8N+ 1 70.0651 -1.27
+  84.0442 C4H6NO+ 1 84.0444 -2.16
+  86.0963 C5H12N+ 1 86.0964 -1.47
+  91.0544 C7H7+ 1 91.0542 1.73
+  93.0699 C7H9+ 1 93.0699 0.18
+  102.0547 C4H8NO2+ 1 102.055 -2.03
+  103.054 C8H7+ 1 103.0542 -2.42
+  105.0697 C8H9+ 1 105.0699 -1.53
+  107.0853 C8H11+ 1 107.0855 -1.68
+  112.0867 C5H10N3+ 1 112.0869 -2.43
+  113.0705 C5H9N2O+ 1 113.0709 -3.63
+  115.0865 C5H11N2O+ 1 115.0866 -0.57
+  127.0863 C6H11N2O+ 1 127.0866 -2.11
+  130.0497 C5H8NO3+ 1 130.0499 -1.05
+  131.0851 C10H11+ 1 131.0855 -2.93
+  135.0801 C9H11O+ 1 135.0804 -2.52
+  135.1164 C10H15+ 1 135.1168 -3.26
+  139.098 C6H11N4+ 1 139.0978 1.44
+  140.0818 C6H10N3O+ 1 140.0818 -0.36
+  156.1235 C5H18NO4+ 1 156.123 3.24
+  157.1081 C6H13N4O+ 1 157.1084 -1.7
+  157.1331 C8H17N2O+ 1 157.1335 -2.52
+  167.0806 C6H9N5O+ 1 167.0802 2.84
+  174.1341 C5H20NO5+ 3 174.1336 3.04
+  175.1184 C6H15N4O2+ 3 175.119 -3.39
+  183.0871 C7H11N4O2+ 3 183.0877 -2.93
+  195.0753 C7H9N5O2+ 1 195.0751 1.23
+  200.1132 C6H18NO6+ 2 200.1129 1.64
+  213.0859 C7H11N5O3+ 1 213.0856 1.01
+  226.1179 C8H14N6O2+ 2 226.1173 2.62
+  226.1581 H20N9O5+ 3 226.1582 -0.45
+  239.0653 C9H5N9+ 3 239.0662 -3.82
+  241.128 C8H15N7O2+ 2 241.1282 -0.54
+  244.1282 C8H16N6O3+ 2 244.1278 1.43
+  269.1232 C10H21O8+ 3 269.1231 0.51
+  285.1658 C10H25N2O7+ 3 285.1656 0.64
+  375.1912 C19H21N9+ 6 375.1914 -0.7
+  488.3232 C26H42N5O4+ 7 488.3231 0.06
+PK$NUM_PEAK: 40
+PK$PEAK: m/z int. rel.int.
+  56.0494 371938.5 67
+  60.0556 158533.7 28
+  70.065 1564337.8 282
+  84.0442 507528.7 91
+  86.0963 2253757 406
+  91.0544 145696.2 26
+  93.0699 206211.8 37
+  102.0547 88415.6 15
+  103.054 160247.7 28
+  105.0697 377389.7 68
+  107.0853 1902869.1 343
+  112.0867 1300008 234
+  113.0705 238313.5 42
+  115.0865 597245.8 107
+  127.0863 1316693.2 237
+  130.0497 142499.4 25
+  131.0851 132859.4 23
+  135.0801 5541083.5 999
+  135.1164 2095480.1 377
+  139.098 84956.4 15
+  140.0818 273501.4 49
+  156.1235 397020.8 71
+  157.1081 962001.9 173
+  157.1331 79609.8 14
+  167.0806 237732.6 42
+  174.1341 1216640.4 219
+  175.1184 224562.8 40
+  183.0871 194567.1 35
+  195.0753 340580.7 61
+  200.1132 1161904.6 209
+  213.0859 2436446 439
+  226.1179 451746.9 81
+  226.1581 125423.1 22
+  239.0653 499163.8 89
+  241.128 311757.2 56
+  244.1282 388178.2 69
+  269.1232 813022.7 146
+  285.1658 707133.3 127
+  375.1912 985471.1 177
+  488.3232 148378.2 26
+//
diff --git a/Eawag/MSBNK-EAWAG-EC182306.txt b/Eawag/MSBNK-EAWAG-EC182306.txt
new file mode 100644
index 0000000000..f68084a005
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC182306.txt
@@ -0,0 +1,161 @@
+ACCESSION: MSBNK-EAWAG-EC182306
+RECORD_TITLE: MC-LR; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], K. Thomas [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.4224/crm.2013.mclr.20070131
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1823
+CH$NAME: MC-LR
+CH$NAME: Microcystin-LR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C49H74N10O12
+CH$EXACT_MASS: 994.5487678
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C49H74N10O12/c1-26(2)23-37-46(66)58-40(48(69)70)30(6)42(62)55-35(17-14-22-52-49(50)51)45(65)54-34(19-18-27(3)24-28(4)38(71-10)25-33-15-12-11-13-16-33)29(5)41(61)56-36(47(67)68)20-21-39(60)59(9)32(8)44(64)53-31(7)43(63)57-37/h11-13,15-16,18-19,24,26,28-31,34-38,40H,8,14,17,20-23,25H2,1-7,9-10H3,(H,53,64)(H,54,65)(H,55,62)(H,56,61)(H,57,63)(H,58,66)(H,67,68)(H,69,70)(H4,50,51,52)/b19-18+,27-24+/t28-,29-,30-,31+,34-,35-,36+,37-,38-,40+/m0/s1
+CH$LINK: CAS 101043-37-2
+CH$LINK: CHEBI 6925
+CH$LINK: KEGG C05371
+CH$LINK: PUBCHEM CID:445434
+CH$LINK: INCHIKEY ZYZCGGRZINLQBL-GWRQVWKTSA-N
+CH$LINK: CHEMSPIDER 393078
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1036
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 15.080 min
+MS$FOCUSED_ION: BASE_PEAK 498.2806
+MS$FOCUSED_ION: PRECURSOR_M/Z 995.556
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-052r-2910000000-daff4b538035bfcdb41e
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  56.0494 C3H6N+ 1 56.0495 -1.51
+  58.065 C3H8N+ 1 58.0651 -2.13
+  60.0557 CH6N3+ 1 60.0556 0.75
+  70.065 C4H8N+ 1 70.0651 -1.37
+  79.0542 C6H7+ 1 79.0542 -0.37
+  84.0442 C4H6NO+ 1 84.0444 -1.71
+  86.0963 C5H12N+ 1 86.0964 -1.56
+  87.0788 C3H9N3+ 1 87.0791 -3.96
+  91.0541 C7H7+ 1 91.0542 -1.54
+  93.0698 C7H9+ 1 93.0699 -1.14
+  95.0602 C5H7N2+ 1 95.0604 -1.9
+  97.0758 C5H9N2+ 1 97.076 -1.96
+  99.0915 C5H11N2+ 1 99.0917 -1.71
+  103.0541 C8H7+ 1 103.0542 -1.39
+  105.0697 C8H9+ 1 105.0699 -1.39
+  107.0853 C8H11+ 1 107.0855 -1.75
+  112.0867 C5H10N3+ 1 112.0869 -1.75
+  113.0708 C5H9N2O+ 1 113.0709 -1.6
+  114.1022 C5H12N3+ 1 114.1026 -2.97
+  115.0539 C9H7+ 1 115.0542 -3.23
+  115.0863 C5H11N2O+ 1 115.0866 -2.36
+  117.0696 C9H9+ 1 117.0699 -2.28
+  119.0853 C9H11+ 1 119.0855 -2.13
+  120.0803 C8H10N+ 1 120.0808 -4.16
+  124.0754 C7H10NO+ 1 124.0757 -2.71
+  124.1118 C8H14N+ 1 124.1121 -2.6
+  127.0863 C6H11N2O+ 1 127.0866 -2.11
+  130.0971 C5H12N3O+ 1 130.0975 -3.13
+  133.1007 C10H13+ 1 133.1012 -3.5
+  135.0801 C9H11O+ 1 135.0804 -2.41
+  135.1163 C10H15+ 1 135.1168 -4.06
+  138.0547 C7H8NO2+ 1 138.055 -1.61
+  139.0976 C6H11N4+ 1 139.0978 -1.74
+  140.0816 C6H10N3O+ 1 140.0818 -1.99
+  141.0656 C6H9N2O2+ 1 141.0659 -1.7
+  145.1007 C11H13+ 1 145.1012 -3.61
+  155.0809 C5H9N5O+ 2 155.0802 4.68
+  156.1236 C5H18NO4+ 2 156.123 3.93
+  157.1082 C6H13N4O+ 1 157.1084 -1.51
+  157.133 C8H17N2O+ 1 157.1335 -3.3
+  163.1111 C11H15O+ 2 163.1117 -3.93
+  167.081 C6H9N5O+ 2 167.0802 4.85
+  174.1341 C5H20NO5+ 3 174.1336 3.13
+  182.1027 C6H16NO5+ 2 182.1023 2.05
+  195.0753 C7H9N5O2+ 1 195.0751 1.39
+  196.0593 C7H8N4O3+ 1 196.0591 1.23
+  200.1132 C6H18NO6+ 2 200.1129 1.64
+  201.0973 C6H17O7+ 3 201.0969 1.94
+  213.0859 C7H11N5O3+ 1 213.0856 1.22
+  218.1531 C12H18N4+ 2 218.1526 2.46
+  225.1334 C9H21O6+ 2 225.1333 0.64
+  226.1174 C8H14N6O2+ 1 226.1173 0.39
+  226.1587 CH26N2O10+ 4 226.1582 2.29
+  237.1632 C3H27NO10+ 4 237.1629 0.99
+  239.0658 C9H5N9+ 3 239.0662 -1.84
+  269.1234 C10H21O8+ 3 269.1231 0.97
+  285.1667 C10H25N2O7+ 3 285.1656 3.85
+PK$NUM_PEAK: 57
+PK$PEAK: m/z int. rel.int.
+  56.0494 670048.9 78
+  58.065 127042.8 14
+  60.0557 233403.2 27
+  70.065 4043874.2 473
+  79.0542 208327.3 24
+  84.0442 1255027.1 146
+  86.0963 2719074.2 318
+  87.0788 104948 12
+  91.0541 437593.1 51
+  93.0698 811284.4 94
+  95.0602 128727.6 15
+  97.0758 216105.7 25
+  99.0915 194014.1 22
+  103.0541 1089725.8 127
+  105.0697 1686211.6 197
+  107.0853 3746083.8 438
+  112.0867 1837902.1 215
+  113.0708 319745.6 37
+  114.1022 296333.3 34
+  115.0539 103793.7 12
+  115.0863 979052.9 114
+  117.0696 813161.5 95
+  119.0853 139988.4 16
+  120.0803 165367.2 19
+  124.0754 118582.5 13
+  124.1118 172078.5 20
+  127.0863 3585243.2 419
+  130.0971 134018.2 15
+  133.1007 89222 10
+  135.0801 8531907 999
+  135.1163 2673005.8 312
+  138.0547 371901.9 43
+  139.0976 144589.8 16
+  140.0816 644965.3 75
+  141.0656 451499.8 52
+  145.1007 176957.5 20
+  155.0809 2118337.2 248
+  156.1236 176921.3 20
+  157.1082 935223 109
+  157.133 173944.4 20
+  163.1111 1317243.4 154
+  167.081 647414.6 75
+  174.1341 603023.2 70
+  182.1027 185739.5 21
+  195.0753 423332.4 49
+  196.0593 126696.1 14
+  200.1132 1177567.2 137
+  201.0973 386686.4 45
+  213.0859 2436553.2 285
+  218.1531 201807.5 23
+  225.1334 193296 22
+  226.1174 440731.8 51
+  226.1587 114596.2 13
+  237.1632 181831.2 21
+  239.0658 572140.8 66
+  269.1234 345515.4 40
+  285.1667 178900.3 20
+//
diff --git a/Eawag/MSBNK-EAWAG-EC182307.txt b/Eawag/MSBNK-EAWAG-EC182307.txt
new file mode 100644
index 0000000000..e74c0bb059
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC182307.txt
@@ -0,0 +1,149 @@
+ACCESSION: MSBNK-EAWAG-EC182307
+RECORD_TITLE: MC-LR; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], K. Thomas [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.4224/crm.2013.mclr.20070131
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1823
+CH$NAME: MC-LR
+CH$NAME: Microcystin-LR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C49H74N10O12
+CH$EXACT_MASS: 994.5487678
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C49H74N10O12/c1-26(2)23-37-46(66)58-40(48(69)70)30(6)42(62)55-35(17-14-22-52-49(50)51)45(65)54-34(19-18-27(3)24-28(4)38(71-10)25-33-15-12-11-13-16-33)29(5)41(61)56-36(47(67)68)20-21-39(60)59(9)32(8)44(64)53-31(7)43(63)57-37/h11-13,15-16,18-19,24,26,28-31,34-38,40H,8,14,17,20-23,25H2,1-7,9-10H3,(H,53,64)(H,54,65)(H,55,62)(H,56,61)(H,57,63)(H,58,66)(H,67,68)(H,69,70)(H4,50,51,52)/b19-18+,27-24+/t28-,29-,30-,31+,34-,35-,36+,37-,38-,40+/m0/s1
+CH$LINK: CAS 101043-37-2
+CH$LINK: CHEBI 6925
+CH$LINK: KEGG C05371
+CH$LINK: PUBCHEM CID:445434
+CH$LINK: INCHIKEY ZYZCGGRZINLQBL-GWRQVWKTSA-N
+CH$LINK: CHEMSPIDER 393078
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1036
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 15.080 min
+MS$FOCUSED_ION: BASE_PEAK 498.2806
+MS$FOCUSED_ION: PRECURSOR_M/Z 995.556
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-059i-4900000000-58204858763a3a2cc90a
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  56.0493 C3H6N+ 1 56.0495 -2.47
+  60.0554 CH6N3+ 1 60.0556 -3.82
+  69.0335 C4H5O+ 1 69.0335 0.13
+  70.065 C4H8N+ 1 70.0651 -1.92
+  72.0808 C4H10N+ 1 72.0808 0.02
+  79.0541 C6H7+ 1 79.0542 -2.01
+  82.0652 C5H8N+ 1 82.0651 1.35
+  84.0442 C4H6NO+ 1 84.0444 -1.71
+  86.0963 C5H12N+ 1 86.0964 -2
+  91.054 C7H7+ 1 91.0542 -2.04
+  93.0696 C7H9+ 1 93.0699 -2.77
+  95.06 C5H7N2+ 1 95.0604 -4.39
+  97.0759 C5H9N2+ 1 97.076 -1.1
+  98.0599 C5H8NO+ 1 98.06 -1.93
+  99.0915 C5H11N2+ 1 99.0917 -1.71
+  102.0551 C4H8NO2+ 1 102.055 1.11
+  103.054 C8H7+ 1 103.0542 -2.2
+  105.0697 C8H9+ 1 105.0699 -2.04
+  107.0853 C8H11+ 1 107.0855 -2.25
+  110.06 C6H8NO+ 1 110.06 0.06
+  112.0867 C5H10N3+ 1 112.0869 -2.09
+  113.0706 C5H9N2O+ 1 113.0709 -2.68
+  114.1022 C5H12N3+ 1 114.1026 -2.9
+  115.0541 C9H7+ 1 115.0542 -1.37
+  115.0863 C5H11N2O+ 1 115.0866 -2.56
+  117.0695 C9H9+ 1 117.0699 -2.93
+  120.057 C8H8O+ 1 120.057 0.46
+  120.0806 C8H10N+ 1 120.0808 -1.37
+  127.0862 C6H11N2O+ 1 127.0866 -2.77
+  130.0497 C5H8NO3+ 1 130.0499 -1.4
+  130.0975 C5H12N3O+ 1 130.0975 -0.08
+  135.0801 C9H11O+ 1 135.0804 -2.86
+  135.1162 C10H15+ 1 135.1168 -4.51
+  138.0544 C7H8NO2+ 1 138.055 -4.15
+  139.0975 C6H11N4+ 1 139.0978 -2.18
+  140.0813 C6H10N3O+ 1 140.0818 -3.95
+  141.0655 C6H9N2O2+ 1 141.0659 -2.57
+  149.0707 C8H9N2O+ 1 149.0709 -1.61
+  155.0806 C5H9N5O+ 1 155.0802 3.01
+  157.1079 C6H13N4O+ 1 157.1084 -3.26
+  157.1329 C8H17N2O+ 2 157.1335 -4.36
+  158.0924 C6H12N3O2+ 1 158.0924 0.04
+  167.0807 C6H9N5O+ 2 167.0802 3.39
+  172.1113 C12H14N+ 1 172.1121 -4.3
+  174.1341 C5H20NO5+ 2 174.1336 2.61
+  183.0872 C7H11N4O2+ 3 183.0877 -2.59
+  196.0597 C7H8N4O3+ 2 196.0591 3.25
+  200.1131 C6H18NO6+ 2 200.1129 1.19
+  211.0701 C7H9N5O3+ 1 211.07 0.55
+  213.0859 C7H11N5O3+ 1 213.0856 1.01
+  226.1175 C8H14N6O2+ 2 226.1173 1.13
+PK$NUM_PEAK: 51
+PK$PEAK: m/z int. rel.int.
+  56.0493 1202537.1 197
+  60.0554 325469.5 53
+  69.0335 164434.4 26
+  70.065 5523113 906
+  72.0808 93875.8 15
+  79.0541 420914 69
+  82.0652 248813 40
+  84.0442 1593726.1 261
+  86.0963 2273464.5 373
+  91.054 888271.1 145
+  93.0696 1174691.6 192
+  95.06 246383 40
+  97.0759 336927.2 55
+  98.0599 434565.2 71
+  99.0915 300778.4 49
+  102.0551 83169.7 13
+  103.054 2840186.5 466
+  105.0697 2852600.5 468
+  107.0853 4225523 693
+  110.06 130472.8 21
+  112.0867 1559118.1 255
+  113.0706 290481.3 47
+  114.1022 297172.1 48
+  115.0541 320431.8 52
+  115.0863 1032435.9 169
+  117.0695 1280050.4 210
+  120.057 60919.7 9
+  120.0806 194408.1 31
+  127.0862 4660511 764
+  130.0497 238938.7 39
+  130.0975 177385 29
+  135.0801 6088337.5 999
+  135.1162 2020832.1 331
+  138.0544 398180.7 65
+  139.0975 86630.1 14
+  140.0813 582416.4 95
+  141.0655 789663.8 129
+  149.0707 203169.5 33
+  155.0806 1062272.5 174
+  157.1079 551822.6 90
+  157.1329 86232.7 14
+  158.0924 216364.7 35
+  167.0807 901919.4 147
+  172.1113 148012.4 24
+  174.1341 215239.9 35
+  183.0872 259046.7 42
+  196.0597 132976.4 21
+  200.1131 503427.2 82
+  211.0701 104059.6 17
+  213.0859 1240760.2 203
+  226.1175 249148.6 40
+//
diff --git a/Eawag/MSBNK-EAWAG-EC182308.txt b/Eawag/MSBNK-EAWAG-EC182308.txt
new file mode 100644
index 0000000000..28b5785071
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC182308.txt
@@ -0,0 +1,147 @@
+ACCESSION: MSBNK-EAWAG-EC182308
+RECORD_TITLE: MC-LR; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], K. Thomas [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.4224/crm.2013.mclr.20070131
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1823
+CH$NAME: MC-LR
+CH$NAME: Microcystin-LR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C49H74N10O12
+CH$EXACT_MASS: 994.5487678
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C49H74N10O12/c1-26(2)23-37-46(66)58-40(48(69)70)30(6)42(62)55-35(17-14-22-52-49(50)51)45(65)54-34(19-18-27(3)24-28(4)38(71-10)25-33-15-12-11-13-16-33)29(5)41(61)56-36(47(67)68)20-21-39(60)59(9)32(8)44(64)53-31(7)43(63)57-37/h11-13,15-16,18-19,24,26,28-31,34-38,40H,8,14,17,20-23,25H2,1-7,9-10H3,(H,53,64)(H,54,65)(H,55,62)(H,56,61)(H,57,63)(H,58,66)(H,67,68)(H,69,70)(H4,50,51,52)/b19-18+,27-24+/t28-,29-,30-,31+,34-,35-,36+,37-,38-,40+/m0/s1
+CH$LINK: CAS 101043-37-2
+CH$LINK: CHEBI 6925
+CH$LINK: KEGG C05371
+CH$LINK: PUBCHEM CID:445434
+CH$LINK: INCHIKEY ZYZCGGRZINLQBL-GWRQVWKTSA-N
+CH$LINK: CHEMSPIDER 393078
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1036
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 15.080 min
+MS$FOCUSED_ION: BASE_PEAK 498.2806
+MS$FOCUSED_ION: PRECURSOR_M/Z 995.556
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0pi9-5900000000-d1e7fe540b53613f3bdc
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  55.0541 C4H7+ 1 55.0542 -3.14
+  56.0494 C3H6N+ 1 56.0495 -1.85
+  58.065 C3H8N+ 1 58.0651 -1.34
+  60.0555 CH6N3+ 1 60.0556 -1.85
+  69.0334 C4H5O+ 1 69.0335 -1.97
+  70.065 C4H8N+ 1 70.0651 -1.59
+  72.0807 C4H10N+ 1 72.0808 -0.72
+  77.0385 C6H5+ 1 77.0386 -1.42
+  79.0541 C6H7+ 1 79.0542 -1.34
+  80.0493 C5H6N+ 1 80.0495 -2.08
+  82.0286 C4H4NO+ 1 82.0287 -1.15
+  82.065 C5H8N+ 1 82.0651 -0.97
+  84.0443 C4H6NO+ 1 84.0444 -1.53
+  85.076 C4H9N2+ 1 85.076 0.2
+  86.06 C4H8NO+ 1 86.06 -0.93
+  86.0963 C5H12N+ 1 86.0964 -1.38
+  91.0541 C7H7+ 1 91.0542 -1.87
+  93.0698 C7H9+ 1 93.0699 -1.22
+  95.0491 C6H7O+ 1 95.0491 -0.27
+  95.0601 C5H7N2+ 1 95.0604 -2.87
+  97.0758 C5H9N2+ 1 97.076 -2.12
+  98.0598 C5H8NO+ 1 98.06 -2.55
+  99.0189 C3H3N2O2+ 1 99.0189 -0.38
+  99.0915 C5H11N2+ 1 99.0917 -1.47
+  103.054 C8H7+ 1 103.0542 -2.13
+  105.0697 C8H9+ 1 105.0699 -1.75
+  107.0853 C8H11+ 1 107.0855 -1.97
+  109.0645 C7H9O+ 1 109.0648 -3.11
+  110.0599 C6H8NO+ 1 110.06 -1.26
+  112.0867 C5H10N3+ 1 112.0869 -1.61
+  113.0232 C5H5O3+ 1 113.0233 -1.1
+  113.0706 C5H9N2O+ 1 113.0709 -3.29
+  114.1021 C5H12N3+ 1 114.1026 -3.97
+  115.0539 C9H7+ 1 115.0542 -2.5
+  115.0864 C5H11N2O+ 1 115.0866 -1.96
+  117.0697 C9H9+ 1 117.0699 -1.89
+  119.0852 C9H11+ 1 119.0855 -2.84
+  120.0807 C8H10N+ 1 120.0808 -0.6
+  127.0863 C6H11N2O+ 1 127.0866 -2.23
+  130.0495 C5H8NO3+ 1 130.0499 -2.57
+  130.097 C5H12N3O+ 1 130.0975 -3.84
+  131.0851 C10H11+ 1 131.0855 -3.05
+  135.0801 C9H11O+ 1 135.0804 -2.52
+  135.1163 C10H15+ 1 135.1168 -3.6
+  138.0546 C7H8NO2+ 1 138.055 -2.6
+  141.0657 C6H9N2O2+ 1 141.0659 -1.27
+  145.101 C11H13+ 1 145.1012 -1.4
+  155.0806 C5H9N5O+ 1 155.0802 2.81
+  167.0807 C6H9N5O+ 2 167.0802 3.21
+  213.0854 C7H11N5O3+ 2 213.0856 -1.29
+PK$NUM_PEAK: 50
+PK$PEAK: m/z int. rel.int.
+  55.0541 152267.4 23
+  56.0494 1894073.2 294
+  58.065 76344.6 11
+  60.0555 320685 49
+  69.0334 222217.8 34
+  70.065 6425899.5 999
+  72.0807 104204.7 16
+  77.0385 226904.7 35
+  79.0541 538331.7 83
+  80.0493 84081 13
+  82.0286 156574.5 24
+  82.065 351945.2 54
+  84.0443 1651538.6 256
+  85.076 136278.7 21
+  86.06 129874.1 20
+  86.0963 1523827.4 236
+  91.0541 1475808.2 229
+  93.0698 1157798.9 179
+  95.0491 342982.5 53
+  95.0601 240150.1 37
+  97.0758 442317.2 68
+  98.0598 668066.1 103
+  99.0189 166465.1 25
+  99.0915 553313.6 86
+  103.054 5135854.5 798
+  105.0697 3405616.5 529
+  107.0853 3648477 567
+  109.0645 237496.3 36
+  110.0599 155161.5 24
+  112.0867 1215881.1 189
+  113.0232 157406.7 24
+  113.0706 280548.8 43
+  114.1021 292698.4 45
+  115.0539 521619.2 81
+  115.0864 790688.2 122
+  117.0697 1392211.2 216
+  119.0852 198716 30
+  120.0807 209106.8 32
+  127.0863 4271889 664
+  130.0495 223527.3 34
+  130.097 133370.7 20
+  131.0851 171128.2 26
+  135.0801 3022713.8 469
+  135.1163 1024480.9 159
+  138.0546 195780 30
+  141.0657 700056.2 108
+  145.101 72661.6 11
+  155.0806 409739.8 63
+  167.0807 782796.2 121
+  213.0854 441380.3 68
+//
diff --git a/Eawag/MSBNK-EAWAG-EC182309.txt b/Eawag/MSBNK-EAWAG-EC182309.txt
new file mode 100644
index 0000000000..0af21ef272
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC182309.txt
@@ -0,0 +1,145 @@
+ACCESSION: MSBNK-EAWAG-EC182309
+RECORD_TITLE: MC-LR; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], K. Thomas [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.4224/crm.2013.mclr.20070131
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1823
+CH$NAME: MC-LR
+CH$NAME: Microcystin-LR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C49H74N10O12
+CH$EXACT_MASS: 994.5487678
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C49H74N10O12/c1-26(2)23-37-46(66)58-40(48(69)70)30(6)42(62)55-35(17-14-22-52-49(50)51)45(65)54-34(19-18-27(3)24-28(4)38(71-10)25-33-15-12-11-13-16-33)29(5)41(61)56-36(47(67)68)20-21-39(60)59(9)32(8)44(64)53-31(7)43(63)57-37/h11-13,15-16,18-19,24,26,28-31,34-38,40H,8,14,17,20-23,25H2,1-7,9-10H3,(H,53,64)(H,54,65)(H,55,62)(H,56,61)(H,57,63)(H,58,66)(H,67,68)(H,69,70)(H4,50,51,52)/b19-18+,27-24+/t28-,29-,30-,31+,34-,35-,36+,37-,38-,40+/m0/s1
+CH$LINK: CAS 101043-37-2
+CH$LINK: CHEBI 6925
+CH$LINK: KEGG C05371
+CH$LINK: PUBCHEM CID:445434
+CH$LINK: INCHIKEY ZYZCGGRZINLQBL-GWRQVWKTSA-N
+CH$LINK: CHEMSPIDER 393078
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1036
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 15.080 min
+MS$FOCUSED_ION: BASE_PEAK 498.2806
+MS$FOCUSED_ION: PRECURSOR_M/Z 995.556
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0pi0-8900000000-4a9ef44d555413f5bf8d
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  55.0542 C4H7+ 1 55.0542 -0.65
+  56.0494 C3H6N+ 1 56.0495 -1.92
+  58.0651 C3H8N+ 1 58.0651 0.3
+  60.0555 CH6N3+ 1 60.0556 -1.41
+  67.0541 C5H7+ 1 67.0542 -1.66
+  69.0334 C4H5O+ 1 69.0335 -1.2
+  70.065 C4H8N+ 1 70.0651 -1.59
+  71.0489 C4H7O+ 1 71.0491 -3.65
+  72.0805 C4H10N+ 1 72.0808 -3.58
+  77.0384 C6H5+ 1 77.0386 -2.51
+  79.0541 C6H7+ 1 79.0542 -1.82
+  80.0493 C5H6N+ 1 80.0495 -2.55
+  82.0287 C4H4NO+ 1 82.0287 -0.87
+  82.0651 C5H8N+ 1 82.0651 -0.5
+  84.0443 C4H6NO+ 1 84.0444 -1.62
+  85.0282 C4H5O2+ 1 85.0284 -2.09
+  85.0757 C4H9N2+ 1 85.076 -3.66
+  86.06 C4H8NO+ 1 86.06 -0.04
+  86.0962 C5H12N+ 1 86.0964 -2.09
+  91.0541 C7H7+ 1 91.0542 -1.79
+  93.0697 C7H9+ 1 93.0699 -2.12
+  94.0649 C6H8N+ 1 94.0651 -2.46
+  95.0489 C6H7O+ 1 95.0491 -2.19
+  95.06 C5H7N2+ 1 95.0604 -3.99
+  97.0758 C5H9N2+ 1 97.076 -2.75
+  98.06 C5H8NO+ 1 98.06 -0.76
+  99.0189 C3H3N2O2+ 1 99.0189 -0.46
+  99.0915 C5H11N2+ 1 99.0917 -1.78
+  103.054 C8H7+ 1 103.0542 -1.98
+  105.0697 C8H9+ 1 105.0699 -1.75
+  107.0853 C8H11+ 1 107.0855 -1.97
+  109.0645 C7H9O+ 1 109.0648 -2.9
+  110.06 C6H8NO+ 1 110.06 -0.64
+  112.0868 C5H10N3+ 1 112.0869 -1.4
+  113.023 C5H5O3+ 1 113.0233 -2.51
+  115.054 C9H7+ 1 115.0542 -1.97
+  115.0864 C5H11N2O+ 1 115.0866 -1.36
+  117.0696 C9H9+ 1 117.0699 -2.15
+  119.0853 C9H11+ 1 119.0855 -1.69
+  120.0567 C8H8O+ 1 120.057 -2.4
+  120.0805 C8H10N+ 1 120.0808 -2.51
+  121.0757 C7H9N2+ 1 121.076 -2.76
+  127.0863 C6H11N2O+ 1 127.0866 -2.29
+  135.0801 C9H11O+ 1 135.0804 -2.3
+  140.0816 C6H10N3O+ 1 140.0818 -1.77
+  141.0654 C6H9N2O2+ 1 141.0659 -3.54
+  149.0704 C8H9N2O+ 1 149.0709 -3.45
+  155.0808 C5H9N5O+ 2 155.0802 4.19
+  167.0809 C6H9N5O+ 2 167.0802 4.58
+PK$NUM_PEAK: 49
+PK$PEAK: m/z int. rel.int.
+  55.0542 137580.8 19
+  56.0494 2440511 341
+  58.0651 143198.3 20
+  60.0555 252948.7 35
+  67.0541 133915.2 18
+  69.0334 142452.9 19
+  70.065 6313691 882
+  71.0489 147664.4 20
+  72.0805 165794.5 23
+  77.0384 350862.3 49
+  79.0541 983878.8 137
+  80.0493 121426.9 16
+  82.0287 263467.5 36
+  82.0651 440997.4 61
+  84.0443 1486005.4 207
+  85.0282 102269.9 14
+  85.0757 113434 15
+  86.06 106408.6 14
+  86.0962 965730.4 135
+  91.0541 1993321.8 278
+  93.0697 1003869.3 140
+  94.0649 106844.2 14
+  95.0489 675662.4 94
+  95.06 266232.1 37
+  97.0758 472489.2 66
+  98.06 658697.2 92
+  99.0189 132990.5 18
+  99.0915 466359.4 65
+  103.054 7144364 999
+  105.0697 3350760 468
+  107.0853 2790991.8 390
+  109.0645 251842.3 35
+  110.06 170759.1 23
+  112.0868 738948.3 103
+  113.023 211163.9 29
+  115.054 802782.6 112
+  115.0864 428940.3 59
+  117.0696 1004937.6 140
+  119.0853 194380 27
+  120.0567 159039.5 22
+  120.0805 167754 23
+  121.0757 173364.8 24
+  127.0863 2734768.8 382
+  135.0801 1324843.9 185
+  140.0816 87941.8 12
+  141.0654 402315 56
+  149.0704 234875.4 32
+  155.0808 118842.1 16
+  167.0809 391955.8 54
+//
diff --git a/Eawag/MSBNK-EAWAG-EC182351.txt b/Eawag/MSBNK-EAWAG-EC182351.txt
new file mode 100644
index 0000000000..705a4a09ae
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC182351.txt
@@ -0,0 +1,51 @@
+ACCESSION: MSBNK-EAWAG-EC182351
+RECORD_TITLE: MC-LR; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], K. Thomas [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.4224/crm.2013.mclr.20070131
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1823
+CH$NAME: MC-LR
+CH$NAME: Microcystin-LR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C49H74N10O12
+CH$EXACT_MASS: 994.5487678
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C49H74N10O12/c1-26(2)23-37-46(66)58-40(48(69)70)30(6)42(62)55-35(17-14-22-52-49(50)51)45(65)54-34(19-18-27(3)24-28(4)38(71-10)25-33-15-12-11-13-16-33)29(5)41(61)56-36(47(67)68)20-21-39(60)59(9)32(8)44(64)53-31(7)43(63)57-37/h11-13,15-16,18-19,24,26,28-31,34-38,40H,8,14,17,20-23,25H2,1-7,9-10H3,(H,53,64)(H,54,65)(H,55,62)(H,56,61)(H,57,63)(H,58,66)(H,67,68)(H,69,70)(H4,50,51,52)/b19-18+,27-24+/t28-,29-,30-,31+,34-,35-,36+,37-,38-,40+/m0/s1
+CH$LINK: CAS 101043-37-2
+CH$LINK: CHEBI 6925
+CH$LINK: KEGG C05371
+CH$LINK: PUBCHEM CID:445434
+CH$LINK: INCHIKEY ZYZCGGRZINLQBL-GWRQVWKTSA-N
+CH$LINK: CHEMSPIDER 393078
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1034
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 15.068 min
+MS$FOCUSED_ION: BASE_PEAK 993.5433
+MS$FOCUSED_ION: PRECURSOR_M/Z 993.5415
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0006-0000000009-8458e093b082ae90368c
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  975.5318 C49H71N10O11- 1 975.5309 0.86
+  993.5416 C49H73N10O12- 1 993.5415 0.07
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  975.5318 156542.4 12
+  993.5416 12378323 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC182352.txt b/Eawag/MSBNK-EAWAG-EC182352.txt
new file mode 100644
index 0000000000..68133fbb73
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC182352.txt
@@ -0,0 +1,51 @@
+ACCESSION: MSBNK-EAWAG-EC182352
+RECORD_TITLE: MC-LR; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], K. Thomas [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.4224/crm.2013.mclr.20070131
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1823
+CH$NAME: MC-LR
+CH$NAME: Microcystin-LR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C49H74N10O12
+CH$EXACT_MASS: 994.5487678
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C49H74N10O12/c1-26(2)23-37-46(66)58-40(48(69)70)30(6)42(62)55-35(17-14-22-52-49(50)51)45(65)54-34(19-18-27(3)24-28(4)38(71-10)25-33-15-12-11-13-16-33)29(5)41(61)56-36(47(67)68)20-21-39(60)59(9)32(8)44(64)53-31(7)43(63)57-37/h11-13,15-16,18-19,24,26,28-31,34-38,40H,8,14,17,20-23,25H2,1-7,9-10H3,(H,53,64)(H,54,65)(H,55,62)(H,56,61)(H,57,63)(H,58,66)(H,67,68)(H,69,70)(H4,50,51,52)/b19-18+,27-24+/t28-,29-,30-,31+,34-,35-,36+,37-,38-,40+/m0/s1
+CH$LINK: CAS 101043-37-2
+CH$LINK: CHEBI 6925
+CH$LINK: KEGG C05371
+CH$LINK: PUBCHEM CID:445434
+CH$LINK: INCHIKEY ZYZCGGRZINLQBL-GWRQVWKTSA-N
+CH$LINK: CHEMSPIDER 393078
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1034
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 15.068 min
+MS$FOCUSED_ION: BASE_PEAK 993.5433
+MS$FOCUSED_ION: PRECURSOR_M/Z 993.5415
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0006-0000000009-721b2eeeeaac1b723071
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  975.5317 C49H71N10O11- 1 975.5309 0.8
+  993.5416 C49H73N10O12- 1 993.5415 0.07
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  975.5317 962897.6 131
+  993.5416 7288387.5 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC182353.txt b/Eawag/MSBNK-EAWAG-EC182353.txt
new file mode 100644
index 0000000000..035c1756a6
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC182353.txt
@@ -0,0 +1,53 @@
+ACCESSION: MSBNK-EAWAG-EC182353
+RECORD_TITLE: MC-LR; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], K. Thomas [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.4224/crm.2013.mclr.20070131
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1823
+CH$NAME: MC-LR
+CH$NAME: Microcystin-LR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C49H74N10O12
+CH$EXACT_MASS: 994.5487678
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C49H74N10O12/c1-26(2)23-37-46(66)58-40(48(69)70)30(6)42(62)55-35(17-14-22-52-49(50)51)45(65)54-34(19-18-27(3)24-28(4)38(71-10)25-33-15-12-11-13-16-33)29(5)41(61)56-36(47(67)68)20-21-39(60)59(9)32(8)44(64)53-31(7)43(63)57-37/h11-13,15-16,18-19,24,26,28-31,34-38,40H,8,14,17,20-23,25H2,1-7,9-10H3,(H,53,64)(H,54,65)(H,55,62)(H,56,61)(H,57,63)(H,58,66)(H,67,68)(H,69,70)(H4,50,51,52)/b19-18+,27-24+/t28-,29-,30-,31+,34-,35-,36+,37-,38-,40+/m0/s1
+CH$LINK: CAS 101043-37-2
+CH$LINK: CHEBI 6925
+CH$LINK: KEGG C05371
+CH$LINK: PUBCHEM CID:445434
+CH$LINK: INCHIKEY ZYZCGGRZINLQBL-GWRQVWKTSA-N
+CH$LINK: CHEMSPIDER 393078
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1034
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 15.068 min
+MS$FOCUSED_ION: BASE_PEAK 993.5433
+MS$FOCUSED_ION: PRECURSOR_M/Z 993.5415
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-002f-0000000009-865d57c8042bfa197a11
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  128.0351 C5H6NO3- 1 128.0353 -2.06
+  975.5312 C49H71N10O11- 1 975.5309 0.24
+  993.5416 C49H73N10O12- 1 993.5415 0.13
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  128.0351 91555.4 28
+  975.5312 2722769 845
+  993.5416 3216431.5 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC182354.txt b/Eawag/MSBNK-EAWAG-EC182354.txt
new file mode 100644
index 0000000000..2655844058
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC182354.txt
@@ -0,0 +1,57 @@
+ACCESSION: MSBNK-EAWAG-EC182354
+RECORD_TITLE: MC-LR; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], K. Thomas [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.4224/crm.2013.mclr.20070131
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1823
+CH$NAME: MC-LR
+CH$NAME: Microcystin-LR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C49H74N10O12
+CH$EXACT_MASS: 994.5487678
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C49H74N10O12/c1-26(2)23-37-46(66)58-40(48(69)70)30(6)42(62)55-35(17-14-22-52-49(50)51)45(65)54-34(19-18-27(3)24-28(4)38(71-10)25-33-15-12-11-13-16-33)29(5)41(61)56-36(47(67)68)20-21-39(60)59(9)32(8)44(64)53-31(7)43(63)57-37/h11-13,15-16,18-19,24,26,28-31,34-38,40H,8,14,17,20-23,25H2,1-7,9-10H3,(H,53,64)(H,54,65)(H,55,62)(H,56,61)(H,57,63)(H,58,66)(H,67,68)(H,69,70)(H4,50,51,52)/b19-18+,27-24+/t28-,29-,30-,31+,34-,35-,36+,37-,38-,40+/m0/s1
+CH$LINK: CAS 101043-37-2
+CH$LINK: CHEBI 6925
+CH$LINK: KEGG C05371
+CH$LINK: PUBCHEM CID:445434
+CH$LINK: INCHIKEY ZYZCGGRZINLQBL-GWRQVWKTSA-N
+CH$LINK: CHEMSPIDER 393078
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1034
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 15.068 min
+MS$FOCUSED_ION: BASE_PEAK 993.5433
+MS$FOCUSED_ION: PRECURSOR_M/Z 993.5415
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-004i-0310000009-979eb099d659a2f15916
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  128.0352 C5H6NO3- 1 128.0353 -0.99
+  283.1771 C13H23N4O3- 3 283.1776 -1.79
+  311.1718 C14H23N4O4- 4 311.1725 -2.06
+  975.5316 C49H71N10O11- 1 975.5309 0.68
+  993.5411 C49H73N10O12- 1 993.5415 -0.36
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  128.0352 971279.5 404
+  283.1771 441462.3 183
+  311.1718 159288.3 66
+  975.5316 2400910.5 999
+  993.5411 488910.2 203
+//
diff --git a/Eawag/MSBNK-EAWAG-EC182355.txt b/Eawag/MSBNK-EAWAG-EC182355.txt
new file mode 100644
index 0000000000..f803cca2e4
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC182355.txt
@@ -0,0 +1,97 @@
+ACCESSION: MSBNK-EAWAG-EC182355
+RECORD_TITLE: MC-LR; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], K. Thomas [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.4224/crm.2013.mclr.20070131
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1823
+CH$NAME: MC-LR
+CH$NAME: Microcystin-LR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C49H74N10O12
+CH$EXACT_MASS: 994.5487678
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C49H74N10O12/c1-26(2)23-37-46(66)58-40(48(69)70)30(6)42(62)55-35(17-14-22-52-49(50)51)45(65)54-34(19-18-27(3)24-28(4)38(71-10)25-33-15-12-11-13-16-33)29(5)41(61)56-36(47(67)68)20-21-39(60)59(9)32(8)44(64)53-31(7)43(63)57-37/h11-13,15-16,18-19,24,26,28-31,34-38,40H,8,14,17,20-23,25H2,1-7,9-10H3,(H,53,64)(H,54,65)(H,55,62)(H,56,61)(H,57,63)(H,58,66)(H,67,68)(H,69,70)(H4,50,51,52)/b19-18+,27-24+/t28-,29-,30-,31+,34-,35-,36+,37-,38-,40+/m0/s1
+CH$LINK: CAS 101043-37-2
+CH$LINK: CHEBI 6925
+CH$LINK: KEGG C05371
+CH$LINK: PUBCHEM CID:445434
+CH$LINK: INCHIKEY ZYZCGGRZINLQBL-GWRQVWKTSA-N
+CH$LINK: CHEMSPIDER 393078
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1034
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 15.068 min
+MS$FOCUSED_ION: BASE_PEAK 993.5433
+MS$FOCUSED_ION: PRECURSOR_M/Z 993.5415
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-004i-0960000000-e354621bafbae88f6a6c
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  74.0248 C2H4NO2- 1 74.0248 0.11
+  84.0458 C4H6NO- 1 84.0455 3.13
+  110.0247 C5H4NO2- 1 110.0248 -0.11
+  112.0403 C5H6NO2- 1 112.0404 -0.51
+  123.0564 C6H7N2O- 1 123.0564 0.46
+  124.0401 C6H6NO2- 1 124.0404 -2.09
+  127.0509 C5H7N2O2- 1 127.0513 -2.83
+  128.0352 C5H6NO3- 1 128.0353 -0.87
+  129.1035 C6H13N2O- 1 129.1033 1.02
+  153.0666 C7H9N2O2- 1 153.067 -2.35
+  155.0815 C5H9N5O- 1 155.0813 1.78
+  165.1031 C9H13N2O- 1 165.1033 -1.29
+  182.1288 C7H14N6- 1 182.1285 1.65
+  184.0603 C6H8N4O3- 1 184.0602 0.85
+  200.1396 C7H16N6O- 2 200.1391 2.39
+  206.0924 C8H10N6O- 1 206.0922 1.3
+  211.0714 C7H9N5O3- 2 211.0711 1.6
+  212.1398 C10H18N3O2- 2 212.1405 -3.09
+  226.1186 C8H14N6O2- 2 226.1184 1.1
+  231.0881 C10H15O6- 3 231.0874 2.95
+  248.1148 C10H18NO6- 3 248.114 3.25
+  265.1663 C13H21N4O2- 3 265.167 -2.58
+  283.177 C13H23N4O3- 3 283.1776 -2.11
+  311.1719 C14H23N4O4- 4 311.1725 -1.96
+  313.1797 C18H23N3O2- 5 313.1796 0.52
+PK$NUM_PEAK: 25
+PK$PEAK: m/z int. rel.int.
+  74.0248 46067.3 10
+  84.0458 69046.4 15
+  110.0247 233075.8 52
+  112.0403 122667.2 27
+  123.0564 57179.2 12
+  124.0401 254957.7 57
+  127.0509 96428.9 21
+  128.0352 4427292 999
+  129.1035 216290.2 48
+  153.0666 319409.4 72
+  155.0815 149241.1 33
+  165.1031 248872.3 56
+  182.1288 100758.8 22
+  184.0603 140940 31
+  200.1396 536924.9 121
+  206.0924 120002.7 27
+  211.0714 163620.7 36
+  212.1398 122768.1 27
+  226.1186 180848.4 40
+  231.0881 66016.8 14
+  248.1148 167343.8 37
+  265.1663 1627455.8 367
+  283.177 1772538.9 399
+  311.1719 339311 76
+  313.1797 202397.7 45
+//
diff --git a/Eawag/MSBNK-EAWAG-EC182356.txt b/Eawag/MSBNK-EAWAG-EC182356.txt
new file mode 100644
index 0000000000..71f2d65835
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC182356.txt
@@ -0,0 +1,119 @@
+ACCESSION: MSBNK-EAWAG-EC182356
+RECORD_TITLE: MC-LR; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], K. Thomas [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.4224/crm.2013.mclr.20070131
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1823
+CH$NAME: MC-LR
+CH$NAME: Microcystin-LR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C49H74N10O12
+CH$EXACT_MASS: 994.5487678
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C49H74N10O12/c1-26(2)23-37-46(66)58-40(48(69)70)30(6)42(62)55-35(17-14-22-52-49(50)51)45(65)54-34(19-18-27(3)24-28(4)38(71-10)25-33-15-12-11-13-16-33)29(5)41(61)56-36(47(67)68)20-21-39(60)59(9)32(8)44(64)53-31(7)43(63)57-37/h11-13,15-16,18-19,24,26,28-31,34-38,40H,8,14,17,20-23,25H2,1-7,9-10H3,(H,53,64)(H,54,65)(H,55,62)(H,56,61)(H,57,63)(H,58,66)(H,67,68)(H,69,70)(H4,50,51,52)/b19-18+,27-24+/t28-,29-,30-,31+,34-,35-,36+,37-,38-,40+/m0/s1
+CH$LINK: CAS 101043-37-2
+CH$LINK: CHEBI 6925
+CH$LINK: KEGG C05371
+CH$LINK: PUBCHEM CID:445434
+CH$LINK: INCHIKEY ZYZCGGRZINLQBL-GWRQVWKTSA-N
+CH$LINK: CHEMSPIDER 393078
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1034
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 15.068 min
+MS$FOCUSED_ION: BASE_PEAK 993.5433
+MS$FOCUSED_ION: PRECURSOR_M/Z 993.5415
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00or-0920000000-545ad615f8ebd108dcbb
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  72.0454 C3H6NO- 1 72.0455 -1.03
+  73.0294 C3H5O2- 1 73.0295 -1.11
+  74.0247 C2H4NO2- 1 74.0248 -0.92
+  82.0297 C4H4NO- 1 82.0298 -2.14
+  84.0454 C4H6NO- 1 84.0455 -0.96
+  87.0565 C3H7N2O- 1 87.0564 1.24
+  99.0563 C4H7N2O- 1 99.0564 -0.8
+  100.0402 C4H6NO2- 1 100.0404 -1.95
+  110.0247 C5H4NO2- 1 110.0248 -0.11
+  112.0402 C5H6NO2- 1 112.0404 -1.46
+  113.0356 C4H5N2O2- 1 113.0357 -0.15
+  123.0564 C6H7N2O- 1 123.0564 0.03
+  124.0402 C6H6NO2- 1 124.0404 -1.29
+  125.0718 C6H9N2O- 1 125.072 -2.19
+  127.0511 C5H7N2O2- 1 127.0513 -1.27
+  128.0352 C5H6NO3- 1 128.0353 -0.75
+  129.1032 C6H13N2O- 1 129.1033 -0.87
+  131.0868 C10H11- 1 131.0866 1.49
+  139.0875 C7H11N2O- 1 139.0877 -1.66
+  150.0558 C8H8NO2- 1 150.0561 -1.52
+  153.0664 C7H9N2O2- 1 153.067 -3.34
+  153.1028 C6H11N5- 2 153.102 4.97
+  155.0818 C5H9N5O- 1 155.0813 3.45
+  165.0661 C6H7N5O- 1 165.0656 2.92
+  165.1027 C9H13N2O- 2 165.1033 -3.6
+  167.082 C6H9N5O- 2 167.0813 4.37
+  170.0928 C7H12N3O2- 2 170.0935 -4.4
+  180.1141 C9H14N3O- 1 180.1142 -0.89
+  181.0613 C6H7N5O2- 2 181.0605 4.31
+  181.0971 C7H11N5O- 1 181.0969 0.8
+  182.1291 C7H14N6- 2 182.1285 3.24
+  198.1237 C7H14N6O- 1 198.1235 1.16
+  200.1396 C7H16N6O- 2 200.1391 2.32
+  206.0928 C8H10N6O- 2 206.0922 2.93
+  211.0717 C7H9N5O3- 2 211.0711 2.76
+  265.1663 C13H21N4O2- 3 265.167 -2.58
+PK$NUM_PEAK: 36
+PK$PEAK: m/z int. rel.int.
+  72.0454 80966 19
+  73.0294 86949 21
+  74.0247 169140.2 41
+  82.0297 61306.9 15
+  84.0454 151682.2 37
+  87.0565 74388.9 18
+  99.0563 364321.9 89
+  100.0402 105852.4 26
+  110.0247 606417.5 149
+  112.0402 237152.6 58
+  113.0356 82317.4 20
+  123.0564 134842.7 33
+  124.0402 417571.9 103
+  125.0718 55973 13
+  127.0511 139620.4 34
+  128.0352 4046336.8 999
+  129.1032 586700.2 144
+  131.0868 153581 37
+  139.0875 411038 101
+  150.0558 130902.2 32
+  153.0664 524111 129
+  153.1028 58243.1 14
+  155.0818 341594.6 84
+  165.0661 54664.2 13
+  165.1027 689865.4 170
+  167.082 165517.6 40
+  170.0928 189271.8 46
+  180.1141 449062.7 110
+  181.0613 67092.1 16
+  181.0971 201014.7 49
+  182.1291 551868.2 136
+  198.1237 279696.3 69
+  200.1396 714902.4 176
+  206.0928 146756.9 36
+  211.0717 134675.4 33
+  265.1663 1958655.9 483
+//
diff --git a/Eawag/MSBNK-EAWAG-EC182357.txt b/Eawag/MSBNK-EAWAG-EC182357.txt
new file mode 100644
index 0000000000..9175eeec4a
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC182357.txt
@@ -0,0 +1,113 @@
+ACCESSION: MSBNK-EAWAG-EC182357
+RECORD_TITLE: MC-LR; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], K. Thomas [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.4224/crm.2013.mclr.20070131
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1823
+CH$NAME: MC-LR
+CH$NAME: Microcystin-LR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C49H74N10O12
+CH$EXACT_MASS: 994.5487678
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C49H74N10O12/c1-26(2)23-37-46(66)58-40(48(69)70)30(6)42(62)55-35(17-14-22-52-49(50)51)45(65)54-34(19-18-27(3)24-28(4)38(71-10)25-33-15-12-11-13-16-33)29(5)41(61)56-36(47(67)68)20-21-39(60)59(9)32(8)44(64)53-31(7)43(63)57-37/h11-13,15-16,18-19,24,26,28-31,34-38,40H,8,14,17,20-23,25H2,1-7,9-10H3,(H,53,64)(H,54,65)(H,55,62)(H,56,61)(H,57,63)(H,58,66)(H,67,68)(H,69,70)(H4,50,51,52)/b19-18+,27-24+/t28-,29-,30-,31+,34-,35-,36+,37-,38-,40+/m0/s1
+CH$LINK: CAS 101043-37-2
+CH$LINK: CHEBI 6925
+CH$LINK: KEGG C05371
+CH$LINK: PUBCHEM CID:445434
+CH$LINK: INCHIKEY ZYZCGGRZINLQBL-GWRQVWKTSA-N
+CH$LINK: CHEMSPIDER 393078
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1034
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 15.068 min
+MS$FOCUSED_ION: BASE_PEAK 993.5433
+MS$FOCUSED_ION: PRECURSOR_M/Z 993.5415
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-004i-1910000000-7ebcf762bcb0a32d083a
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  72.0455 C3H6NO- 1 72.0455 0.56
+  74.0247 C2H4NO2- 1 74.0248 -0.3
+  82.0298 C4H4NO- 1 82.0298 -0.46
+  82.0662 C5H8N- 1 82.0662 0.18
+  84.0455 C4H6NO- 1 84.0455 -0.14
+  87.0564 C3H7N2O- 1 87.0564 0.19
+  99.0563 C4H7N2O- 1 99.0564 -0.95
+  110.0247 C5H4NO2- 1 110.0248 -0.25
+  112.0403 C5H6NO2- 1 112.0404 -0.72
+  112.0767 C6H10NO- 1 112.0768 -0.93
+  113.0355 C4H5N2O2- 1 113.0357 -1.3
+  122.0974 C8H12N- 1 122.0975 -0.91
+  123.0562 C6H7N2O- 1 123.0564 -1.46
+  124.0402 C6H6NO2- 1 124.0404 -1.41
+  125.0721 C6H9N2O- 1 125.072 0.62
+  127.0511 C5H7N2O2- 1 127.0513 -1.93
+  128.0352 C5H6NO3- 1 128.0353 -0.75
+  129.1032 C6H13N2O- 1 129.1033 -0.87
+  131.0865 C10H11- 1 131.0866 -1.31
+  138.0431 C6H6N2O2- 1 138.0435 -2.62
+  139.0875 C7H11N2O- 1 139.0877 -1.22
+  153.0667 C7H9N2O2- 1 153.067 -1.75
+  155.0821 C7H11N2O2- 1 155.0826 -2.94
+  163.0873 C9H11N2O- 1 163.0877 -2.44
+  165.1028 C9H13N2O- 2 165.1033 -3.23
+  170.0929 C7H12N3O2- 2 170.0935 -3.42
+  180.1138 C9H14N3O- 1 180.1142 -2.24
+  181.0972 C7H11N5O- 1 181.0969 1.81
+  182.1292 C7H14N6- 2 182.1285 3.41
+  198.1239 C7H14N6O- 2 198.1235 2.39
+  200.1395 C7H16N6O- 2 200.1391 2.17
+  208.1096 C10H14N3O2- 2 208.1092 2.13
+  265.1664 C13H21N4O2- 3 265.167 -2.35
+PK$NUM_PEAK: 33
+PK$PEAK: m/z int. rel.int.
+  72.0455 133758.7 50
+  74.0247 197939.1 74
+  82.0298 97290.9 36
+  82.0662 78897.7 29
+  84.0455 223231.1 84
+  87.0564 151811.1 57
+  99.0563 453599.7 170
+  110.0247 722227.8 272
+  112.0403 247618.7 93
+  112.0767 69791.3 26
+  113.0355 112570 42
+  122.0974 56047.8 21
+  123.0562 122535.6 46
+  124.0402 393746.5 148
+  125.0721 83107 31
+  127.0511 116913.7 44
+  128.0352 2650925.8 999
+  129.1032 755051.2 284
+  131.0865 134237.8 50
+  138.0431 61749.6 23
+  139.0875 412222.2 155
+  153.0667 418882.5 157
+  155.0821 265878.3 100
+  163.0873 52148.3 19
+  165.1028 741733.4 279
+  170.0929 104814.4 39
+  180.1138 564171.9 212
+  181.0972 289623.5 109
+  182.1292 981514.9 369
+  198.1239 253434 95
+  200.1395 529447.6 199
+  208.1096 138476.2 52
+  265.1664 726303.1 273
+//
diff --git a/Eawag/MSBNK-EAWAG-EC182358.txt b/Eawag/MSBNK-EAWAG-EC182358.txt
new file mode 100644
index 0000000000..fb30012fd5
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC182358.txt
@@ -0,0 +1,99 @@
+ACCESSION: MSBNK-EAWAG-EC182358
+RECORD_TITLE: MC-LR; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], K. Thomas [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.4224/crm.2013.mclr.20070131
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1823
+CH$NAME: MC-LR
+CH$NAME: Microcystin-LR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C49H74N10O12
+CH$EXACT_MASS: 994.5487678
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C49H74N10O12/c1-26(2)23-37-46(66)58-40(48(69)70)30(6)42(62)55-35(17-14-22-52-49(50)51)45(65)54-34(19-18-27(3)24-28(4)38(71-10)25-33-15-12-11-13-16-33)29(5)41(61)56-36(47(67)68)20-21-39(60)59(9)32(8)44(64)53-31(7)43(63)57-37/h11-13,15-16,18-19,24,26,28-31,34-38,40H,8,14,17,20-23,25H2,1-7,9-10H3,(H,53,64)(H,54,65)(H,55,62)(H,56,61)(H,57,63)(H,58,66)(H,67,68)(H,69,70)(H4,50,51,52)/b19-18+,27-24+/t28-,29-,30-,31+,34-,35-,36+,37-,38-,40+/m0/s1
+CH$LINK: CAS 101043-37-2
+CH$LINK: CHEBI 6925
+CH$LINK: KEGG C05371
+CH$LINK: PUBCHEM CID:445434
+CH$LINK: INCHIKEY ZYZCGGRZINLQBL-GWRQVWKTSA-N
+CH$LINK: CHEMSPIDER 393078
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1034
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 15.068 min
+MS$FOCUSED_ION: BASE_PEAK 993.5433
+MS$FOCUSED_ION: PRECURSOR_M/Z 993.5415
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0059-2900000000-84e24ff99f8d1e51bf6a
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  55.019 C3H3O- 1 55.0189 0.76
+  72.0454 C3H6NO- 1 72.0455 -1.03
+  74.0247 C2H4NO2- 1 74.0248 -0.61
+  82.0298 C4H4NO- 1 82.0298 -0.28
+  82.0661 C5H8N- 1 82.0662 -1.87
+  84.0454 C4H6NO- 1 84.0455 -1.05
+  87.0563 C3H7N2O- 1 87.0564 -0.51
+  96.082 C6H10N- 1 96.0819 1.42
+  99.0563 C4H7N2O- 1 99.0564 -0.57
+  110.0246 C5H4NO2- 1 110.0248 -0.94
+  112.0404 C5H6NO2- 1 112.0404 -0.17
+  112.077 C6H10NO- 1 112.0768 1.79
+  122.0978 C8H12N- 1 122.0975 1.9
+  123.0561 C6H7N2O- 1 123.0564 -2.21
+  124.0402 C6H6NO2- 1 124.0404 -1.48
+  125.0722 C6H9N2O- 1 125.072 1.35
+  128.0352 C5H6NO3- 1 128.0353 -1.11
+  129.1032 C6H13N2O- 1 129.1033 -1.23
+  138.0435 C6H6N2O2- 1 138.0435 0.25
+  139.0875 C7H11N2O- 1 139.0877 -1.55
+  150.0554 C8H8NO2- 2 150.0561 -4.57
+  153.0666 C7H9N2O2- 1 153.067 -2.35
+  165.1028 C9H13N2O- 2 165.1033 -3.51
+  180.1137 C9H14N3O- 2 180.1142 -2.84
+  182.1292 C7H14N6- 2 182.1285 3.41
+  200.1394 C7H16N6O- 1 200.1391 1.48
+PK$NUM_PEAK: 26
+PK$PEAK: m/z int. rel.int.
+  55.019 85521.5 58
+  72.0454 167278 115
+  74.0247 154070 106
+  82.0298 121339.7 83
+  82.0661 112687 77
+  84.0454 217119.9 149
+  87.0563 169662.8 116
+  96.082 57841.6 39
+  99.0563 350905 241
+  110.0246 648175.8 446
+  112.0404 201499.2 138
+  112.077 78967.5 54
+  122.0978 60207.8 41
+  123.0561 94502 65
+  124.0402 291019.3 200
+  125.0722 80317.3 55
+  128.0352 1451630.2 999
+  129.1032 595296.9 409
+  138.0435 96464 66
+  139.0875 243822.4 167
+  150.0554 128097 88
+  153.0666 211080.3 145
+  165.1028 406327.9 279
+  180.1137 366823 252
+  182.1292 829404.2 570
+  200.1394 236862.5 163
+//
diff --git a/Eawag/MSBNK-EAWAG-EC182359.txt b/Eawag/MSBNK-EAWAG-EC182359.txt
new file mode 100644
index 0000000000..f034ae937d
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC182359.txt
@@ -0,0 +1,97 @@
+ACCESSION: MSBNK-EAWAG-EC182359
+RECORD_TITLE: MC-LR; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], K. Thomas [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.4224/crm.2013.mclr.20070131
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1823
+CH$NAME: MC-LR
+CH$NAME: Microcystin-LR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C49H74N10O12
+CH$EXACT_MASS: 994.5487678
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C49H74N10O12/c1-26(2)23-37-46(66)58-40(48(69)70)30(6)42(62)55-35(17-14-22-52-49(50)51)45(65)54-34(19-18-27(3)24-28(4)38(71-10)25-33-15-12-11-13-16-33)29(5)41(61)56-36(47(67)68)20-21-39(60)59(9)32(8)44(64)53-31(7)43(63)57-37/h11-13,15-16,18-19,24,26,28-31,34-38,40H,8,14,17,20-23,25H2,1-7,9-10H3,(H,53,64)(H,54,65)(H,55,62)(H,56,61)(H,57,63)(H,58,66)(H,67,68)(H,69,70)(H4,50,51,52)/b19-18+,27-24+/t28-,29-,30-,31+,34-,35-,36+,37-,38-,40+/m0/s1
+CH$LINK: CAS 101043-37-2
+CH$LINK: CHEBI 6925
+CH$LINK: KEGG C05371
+CH$LINK: PUBCHEM CID:445434
+CH$LINK: INCHIKEY ZYZCGGRZINLQBL-GWRQVWKTSA-N
+CH$LINK: CHEMSPIDER 393078
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1034
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 15.068 min
+MS$FOCUSED_ION: BASE_PEAK 993.5433
+MS$FOCUSED_ION: PRECURSOR_M/Z 993.5415
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0059-2900000000-a0016b720f6ec1263375
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  55.0189 C3H3O- 1 55.0189 -0.42
+  66.0349 C4H4N- 1 66.0349 -0.45
+  72.0454 C3H6NO- 1 72.0455 -0.71
+  74.0247 C2H4NO2- 1 74.0248 -0.61
+  82.0298 C4H4NO- 1 82.0298 -0.56
+  82.0663 C5H8N- 1 82.0662 1.39
+  84.0454 C4H6NO- 1 84.0455 -0.78
+  87.0563 C3H7N2O- 1 87.0564 -1.39
+  99.0564 C4H7N2O- 1 99.0564 -0.11
+  110.0247 C5H4NO2- 1 110.0248 -0.32
+  112.0404 C5H6NO2- 1 112.0404 -0.31
+  112.0768 C6H10NO- 1 112.0768 0.5
+  113.0356 C4H5N2O2- 1 113.0357 -0.82
+  124.0403 C6H6NO2- 1 124.0404 -0.43
+  125.072 C6H9N2O- 1 125.072 0.07
+  127.0512 C5H7N2O2- 1 127.0513 -0.91
+  128.0353 C5H6NO3- 1 128.0353 -0.51
+  129.1033 C6H13N2O- 1 129.1033 -0.52
+  130.0989 C5H12N3O- 1 130.0986 2.08
+  138.0435 C6H6N2O2- 1 138.0435 0.25
+  139.0876 C7H11N2O- 1 139.0877 -0.89
+  150.0557 C8H8NO2- 1 150.0561 -2.03
+  165.1032 C9H13N2O- 1 165.1033 -0.65
+  180.1137 C9H14N3O- 2 180.1142 -2.92
+  182.1293 C7H14N6- 2 182.1285 4.42
+PK$NUM_PEAK: 25
+PK$PEAK: m/z int. rel.int.
+  55.0189 100025.7 147
+  66.0349 69849.1 103
+  72.0454 130402.9 192
+  74.0247 106605.3 157
+  82.0298 98927 146
+  82.0663 130016.4 192
+  84.0454 177462 262
+  87.0563 110976.4 164
+  99.0564 201716.4 298
+  110.0247 511940.6 756
+  112.0404 131347.8 194
+  112.0768 90048.9 133
+  113.0356 88328.8 130
+  124.0403 169722.4 250
+  125.072 48811.6 72
+  127.0512 84034 124
+  128.0353 675632.1 999
+  129.1033 389322.9 575
+  130.0989 32480.1 48
+  138.0435 91504.3 135
+  139.0876 165363.5 244
+  150.0557 91584.4 135
+  165.1032 181782.8 268
+  180.1137 137482.6 203
+  182.1293 495207.8 732
+//
diff --git a/Eawag/MSBNK-EAWAG-EC183501.txt b/Eawag/MSBNK-EAWAG-EC183501.txt
new file mode 100644
index 0000000000..e570ed6a50
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC183501.txt
@@ -0,0 +1,68 @@
+ACCESSION: MSBNK-EAWAG-EC183501
+RECORD_TITLE: MC-FL; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], A. Miglione [dtc], L. Tartaglione [dtc], C. Dell'Aversano [dtc], M. Simonazzi [dtc], L. Pezzolesi [dtc], F. Guerrini [dtc], R. Pistocchi [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.toxicon.2013.03.016
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1835
+CH$NAME: MC-FL
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-8-benzyl-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-15-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H71N7O12
+CH$EXACT_MASS: 985.5160707
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C52H71N7O12/c1-29(2)25-40-49(65)54-38(22-21-30(3)26-31(4)42(71-10)28-37-19-15-12-16-20-37)32(5)45(61)55-39(51(67)68)23-24-43(60)59(9)35(8)48(64)53-34(7)47(63)57-41(27-36-17-13-11-14-18-36)50(66)58-44(52(69)70)33(6)46(62)56-40/h11-22,26,29,31-34,38-42,44H,8,23-25,27-28H2,1-7,9-10H3,(H,53,64)(H,54,65)(H,55,61)(H,56,62)(H,57,63)(H,58,66)(H,67,68)(H,69,70)/b22-21+,30-26+/t31-,32-,33-,34+,38-,39+,40-,41-,42-,44+/m0/s1
+CH$LINK: PUBCHEM CID:146683818
+CH$LINK: INCHIKEY JNMCFADRRBGAIM-QVWKUIOOSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1027
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 12.044 min
+MS$FOCUSED_ION: BASE_PEAK 111.0207
+MS$FOCUSED_ION: PRECURSOR_M/Z 986.5233
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-056r-0011960020-1a730a6d1c506a6b5a0a
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  163.1116 C11H15O+ 1 163.1117 -0.75
+  213.0872 C9H13N2O4+ 1 213.087 1.15
+  258.1856 C3H26N6O7+ 3 258.1857 -0.54
+  294.145 C14H20N3O4+ 3 294.1448 0.56
+  375.1924 C21H23N6O+ 5 375.1928 -1.1
+  407.2298 C22H33NO6+ 4 407.2302 -1.03
+  446.2303 C25H34O7+ 4 446.2299 0.81
+  461.24 C25H35NO7+ 5 461.2408 -1.78
+  478.267 C25H38N2O7+ 5 478.2674 -0.84
+  509.2658 C32H35N3O3+ 5 509.2673 -2.94
+  561.3048 C30H39N7O4+ 6 561.3058 -1.84
+  580.3048 C35H40N4O4+ 7 580.3044 0.62
+  835.4262 C51H57N5O6+ 6 835.4303 -5
+PK$NUM_PEAK: 13
+PK$PEAK: m/z int. rel.int.
+  163.1116 5951.8 29
+  213.0872 4237.5 20
+  258.1856 22367 110
+  294.145 17714.4 87
+  375.1924 57266.7 281
+  407.2298 48894 240
+  446.2303 31694.6 155
+  461.24 21073.6 103
+  478.267 202968.6 999
+  509.2658 62079.8 305
+  561.3048 102595.9 504
+  580.3048 39252.8 193
+  835.4262 77610 381
+//
diff --git a/Eawag/MSBNK-EAWAG-EC183502.txt b/Eawag/MSBNK-EAWAG-EC183502.txt
new file mode 100644
index 0000000000..538fdd2d27
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC183502.txt
@@ -0,0 +1,52 @@
+ACCESSION: MSBNK-EAWAG-EC183502
+RECORD_TITLE: MC-FL; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], A. Miglione [dtc], L. Tartaglione [dtc], C. Dell'Aversano [dtc], M. Simonazzi [dtc], L. Pezzolesi [dtc], F. Guerrini [dtc], R. Pistocchi [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.toxicon.2013.03.016
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1835
+CH$NAME: MC-FL
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-8-benzyl-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-15-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H71N7O12
+CH$EXACT_MASS: 985.5160707
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C52H71N7O12/c1-29(2)25-40-49(65)54-38(22-21-30(3)26-31(4)42(71-10)28-37-19-15-12-16-20-37)32(5)45(61)55-39(51(67)68)23-24-43(60)59(9)35(8)48(64)53-34(7)47(63)57-41(27-36-17-13-11-14-18-36)50(66)58-44(52(69)70)33(6)46(62)56-40/h11-22,26,29,31-34,38-42,44H,8,23-25,27-28H2,1-7,9-10H3,(H,53,64)(H,54,65)(H,55,61)(H,56,62)(H,57,63)(H,58,66)(H,67,68)(H,69,70)/b22-21+,30-26+/t31-,32-,33-,34+,38-,39+,40-,41-,42-,44+/m0/s1
+CH$LINK: PUBCHEM CID:146683818
+CH$LINK: INCHIKEY JNMCFADRRBGAIM-QVWKUIOOSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1027
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 12.044 min
+MS$FOCUSED_ION: BASE_PEAK 111.0207
+MS$FOCUSED_ION: PRECURSOR_M/Z 986.5233
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-004i-0069800000-8fae7267630171d9ed54
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  213.0868 C9H13N2O4+ 1 213.087 -0.64
+  249.1243 C13H17N2O3+ 2 249.1234 3.79
+  258.1857 C3H26N6O7+ 3 258.1857 -0.19
+  375.1923 C21H23N6O+ 5 375.1928 -1.18
+  478.267 C25H38N2O7+ 5 478.2674 -0.78
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  213.0868 39446.3 190
+  249.1243 29980.9 144
+  258.1857 73825.3 357
+  375.1923 206560.2 999
+  478.267 190950 923
+//
diff --git a/Eawag/MSBNK-EAWAG-EC183503.txt b/Eawag/MSBNK-EAWAG-EC183503.txt
new file mode 100644
index 0000000000..caae5de98d
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC183503.txt
@@ -0,0 +1,66 @@
+ACCESSION: MSBNK-EAWAG-EC183503
+RECORD_TITLE: MC-FL; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], A. Miglione [dtc], L. Tartaglione [dtc], C. Dell'Aversano [dtc], M. Simonazzi [dtc], L. Pezzolesi [dtc], F. Guerrini [dtc], R. Pistocchi [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.toxicon.2013.03.016
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1835
+CH$NAME: MC-FL
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-8-benzyl-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-15-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H71N7O12
+CH$EXACT_MASS: 985.5160707
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C52H71N7O12/c1-29(2)25-40-49(65)54-38(22-21-30(3)26-31(4)42(71-10)28-37-19-15-12-16-20-37)32(5)45(61)55-39(51(67)68)23-24-43(60)59(9)35(8)48(64)53-34(7)47(63)57-41(27-36-17-13-11-14-18-36)50(66)58-44(52(69)70)33(6)46(62)56-40/h11-22,26,29,31-34,38-42,44H,8,23-25,27-28H2,1-7,9-10H3,(H,53,64)(H,54,65)(H,55,61)(H,56,62)(H,57,63)(H,58,66)(H,67,68)(H,69,70)/b22-21+,30-26+/t31-,32-,33-,34+,38-,39+,40-,41-,42-,44+/m0/s1
+CH$LINK: PUBCHEM CID:146683818
+CH$LINK: INCHIKEY JNMCFADRRBGAIM-QVWKUIOOSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1027
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 12.044 min
+MS$FOCUSED_ION: BASE_PEAK 111.0207
+MS$FOCUSED_ION: PRECURSOR_M/Z 986.5233
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-01rb-1798300000-4c4a7a5f6263cd4e7a93
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  86.0967 C5H12N+ 1 86.0964 2.74
+  107.0858 C8H11+ 1 107.0855 2.7
+  135.0807 C9H11O+ 1 135.0804 1.95
+  155.0814 C7H11N2O2+ 1 155.0815 -0.51
+  163.1121 C11H15O+ 1 163.1117 1.96
+  213.0868 C9H13N2O4+ 1 213.087 -0.93
+  246.1495 CH22N6O8+ 3 246.1494 0.67
+  249.1237 C13H17N2O3+ 1 249.1234 1.53
+  294.1448 C14H20N3O4+ 4 294.1448 -0.06
+  375.1923 C21H23N6O+ 5 375.1928 -1.26
+  397.2093 C20H31NO7+ 3 397.2095 -0.5
+  446.2303 C25H34O7+ 4 446.2299 0.81
+PK$NUM_PEAK: 12
+PK$PEAK: m/z int. rel.int.
+  86.0967 69479.8 296
+  107.0858 31657 135
+  135.0807 114725.4 490
+  155.0814 40840.8 174
+  163.1121 99681.8 425
+  213.0868 114642.5 489
+  246.1495 30570.6 130
+  249.1237 95066.9 406
+  294.1448 115025.5 491
+  375.1923 233773.1 999
+  397.2093 93138.5 398
+  446.2303 123779.4 528
+//
diff --git a/Eawag/MSBNK-EAWAG-EC183504.txt b/Eawag/MSBNK-EAWAG-EC183504.txt
new file mode 100644
index 0000000000..57444f8905
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC183504.txt
@@ -0,0 +1,68 @@
+ACCESSION: MSBNK-EAWAG-EC183504
+RECORD_TITLE: MC-FL; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], A. Miglione [dtc], L. Tartaglione [dtc], C. Dell'Aversano [dtc], M. Simonazzi [dtc], L. Pezzolesi [dtc], F. Guerrini [dtc], R. Pistocchi [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.toxicon.2013.03.016
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1835
+CH$NAME: MC-FL
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-8-benzyl-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-15-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H71N7O12
+CH$EXACT_MASS: 985.5160707
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C52H71N7O12/c1-29(2)25-40-49(65)54-38(22-21-30(3)26-31(4)42(71-10)28-37-19-15-12-16-20-37)32(5)45(61)55-39(51(67)68)23-24-43(60)59(9)35(8)48(64)53-34(7)47(63)57-41(27-36-17-13-11-14-18-36)50(66)58-44(52(69)70)33(6)46(62)56-40/h11-22,26,29,31-34,38-42,44H,8,23-25,27-28H2,1-7,9-10H3,(H,53,64)(H,54,65)(H,55,61)(H,56,62)(H,57,63)(H,58,66)(H,67,68)(H,69,70)/b22-21+,30-26+/t31-,32-,33-,34+,38-,39+,40-,41-,42-,44+/m0/s1
+CH$LINK: PUBCHEM CID:146683818
+CH$LINK: INCHIKEY JNMCFADRRBGAIM-QVWKUIOOSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1027
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 12.044 min
+MS$FOCUSED_ION: BASE_PEAK 111.0207
+MS$FOCUSED_ION: PRECURSOR_M/Z 986.5233
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03g0-2892000000-2b299c19237d59757898
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  86.0967 C5H12N+ 1 86.0964 3.27
+  107.0858 C8H11+ 1 107.0855 2.21
+  127.0871 C6H11N2O+ 1 127.0866 4.27
+  135.0805 C9H11O+ 1 135.0804 0.15
+  155.0815 C7H11N2O2+ 1 155.0815 0.08
+  163.1117 C11H15O+ 1 163.1117 -0.47
+  213.087 C9H13N2O4+ 1 213.087 -0.14
+  249.1233 C13H17N2O3+ 2 249.1234 -0.43
+  258.1858 C3H26N6O7+ 3 258.1857 0.29
+  265.1596 C5H23N5O7+ 3 265.1592 1.46
+  277.1185 C14H17N2O4+ 3 277.1183 0.71
+  294.1447 C14H20N3O4+ 4 294.1448 -0.37
+  375.1921 C21H23N6O+ 4 375.1928 -1.91
+PK$NUM_PEAK: 13
+PK$PEAK: m/z int. rel.int.
+  86.0967 128411.8 717
+  107.0858 63311.7 353
+  127.0871 45511.6 254
+  135.0805 178679.1 998
+  155.0815 73500.6 410
+  163.1117 145860.2 815
+  213.087 175286.4 979
+  249.1233 144236.7 805
+  258.1858 49307 275
+  265.1596 30390 169
+  277.1185 74384.3 415
+  294.1447 82272.2 459
+  375.1921 178788.9 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC183505.txt b/Eawag/MSBNK-EAWAG-EC183505.txt
new file mode 100644
index 0000000000..baecebc373
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC183505.txt
@@ -0,0 +1,72 @@
+ACCESSION: MSBNK-EAWAG-EC183505
+RECORD_TITLE: MC-FL; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], A. Miglione [dtc], L. Tartaglione [dtc], C. Dell'Aversano [dtc], M. Simonazzi [dtc], L. Pezzolesi [dtc], F. Guerrini [dtc], R. Pistocchi [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.toxicon.2013.03.016
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1835
+CH$NAME: MC-FL
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-8-benzyl-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-15-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H71N7O12
+CH$EXACT_MASS: 985.5160707
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C52H71N7O12/c1-29(2)25-40-49(65)54-38(22-21-30(3)26-31(4)42(71-10)28-37-19-15-12-16-20-37)32(5)45(61)55-39(51(67)68)23-24-43(60)59(9)35(8)48(64)53-34(7)47(63)57-41(27-36-17-13-11-14-18-36)50(66)58-44(52(69)70)33(6)46(62)56-40/h11-22,26,29,31-34,38-42,44H,8,23-25,27-28H2,1-7,9-10H3,(H,53,64)(H,54,65)(H,55,61)(H,56,62)(H,57,63)(H,58,66)(H,67,68)(H,69,70)/b22-21+,30-26+/t31-,32-,33-,34+,38-,39+,40-,41-,42-,44+/m0/s1
+CH$LINK: PUBCHEM CID:146683818
+CH$LINK: INCHIKEY JNMCFADRRBGAIM-QVWKUIOOSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1027
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 12.044 min
+MS$FOCUSED_ION: BASE_PEAK 111.0207
+MS$FOCUSED_ION: PRECURSOR_M/Z 986.5233
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-01p9-1930000000-3402c1bc73d07e6a4313
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  86.0966 C5H12N+ 1 86.0964 2.47
+  105.0703 C8H9+ 1 105.0699 4.25
+  107.0858 C8H11+ 1 107.0855 2.13
+  120.081 C8H10N+ 1 120.0808 2.1
+  124.1122 C8H14N+ 1 124.1121 1.13
+  127.0868 C6H11N2O+ 1 127.0866 1.5
+  135.0806 C9H11O+ 1 135.0804 0.94
+  135.1169 C10H15+ 1 135.1168 0.31
+  155.0815 C7H11N2O2+ 1 155.0815 -0.21
+  163.1117 C11H15O+ 1 163.1117 0
+  213.0868 C9H13N2O4+ 1 213.087 -0.78
+  237.1637 C18H21+ 3 237.1638 -0.14
+  246.1493 CH22N6O8+ 2 246.1494 -0.32
+  249.1233 C13H17N2O3+ 1 249.1234 -0.25
+  277.1183 C14H17N2O4+ 3 277.1183 0.16
+PK$NUM_PEAK: 15
+PK$PEAK: m/z int. rel.int.
+  86.0966 207893.2 768
+  105.0703 29746 109
+  107.0858 161970.8 598
+  120.081 114912.7 424
+  124.1122 23092.5 85
+  127.0868 135401.2 500
+  135.0806 270184.3 999
+  135.1169 167708.5 620
+  155.0815 135796.7 502
+  163.1117 155519.9 575
+  213.0868 226433.6 837
+  237.1637 35757.5 132
+  246.1493 21558.8 79
+  249.1233 172874.4 639
+  277.1183 34959 129
+//
diff --git a/Eawag/MSBNK-EAWAG-EC183506.txt b/Eawag/MSBNK-EAWAG-EC183506.txt
new file mode 100644
index 0000000000..7c31bc27d5
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC183506.txt
@@ -0,0 +1,78 @@
+ACCESSION: MSBNK-EAWAG-EC183506
+RECORD_TITLE: MC-FL; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], A. Miglione [dtc], L. Tartaglione [dtc], C. Dell'Aversano [dtc], M. Simonazzi [dtc], L. Pezzolesi [dtc], F. Guerrini [dtc], R. Pistocchi [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.toxicon.2013.03.016
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1835
+CH$NAME: MC-FL
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-8-benzyl-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-15-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H71N7O12
+CH$EXACT_MASS: 985.5160707
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C52H71N7O12/c1-29(2)25-40-49(65)54-38(22-21-30(3)26-31(4)42(71-10)28-37-19-15-12-16-20-37)32(5)45(61)55-39(51(67)68)23-24-43(60)59(9)35(8)48(64)53-34(7)47(63)57-41(27-36-17-13-11-14-18-36)50(66)58-44(52(69)70)33(6)46(62)56-40/h11-22,26,29,31-34,38-42,44H,8,23-25,27-28H2,1-7,9-10H3,(H,53,64)(H,54,65)(H,55,61)(H,56,62)(H,57,63)(H,58,66)(H,67,68)(H,69,70)/b22-21+,30-26+/t31-,32-,33-,34+,38-,39+,40-,41-,42-,44+/m0/s1
+CH$LINK: PUBCHEM CID:146683818
+CH$LINK: INCHIKEY JNMCFADRRBGAIM-QVWKUIOOSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1027
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 12.044 min
+MS$FOCUSED_ION: BASE_PEAK 111.0207
+MS$FOCUSED_ION: PRECURSOR_M/Z 986.5233
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-052r-2910000000-0267616e881f15a55381
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  56.0496 C3H6N+ 1 56.0495 2.16
+  58.0654 C3H8N+ 1 58.0651 4.21
+  84.0444 C4H6NO+ 1 84.0444 0.07
+  86.0966 C5H12N+ 1 86.0964 1.94
+  91.0545 C7H7+ 1 91.0542 3.42
+  93.0701 C7H9+ 1 93.0699 1.94
+  105.07 C8H9+ 1 105.0699 0.91
+  107.0856 C8H11+ 1 107.0855 1.14
+  117.07 C9H9+ 1 117.0699 1.09
+  120.081 C8H10N+ 1 120.0808 1.91
+  127.0867 C6H11N2O+ 1 127.0866 0.84
+  135.0806 C9H11O+ 1 135.0804 1.05
+  135.1168 C10H15+ 1 135.1168 -0.15
+  155.0814 C7H11N2O2+ 1 155.0815 -0.8
+  163.1117 C11H15O+ 1 163.1117 -0.47
+  167.0819 C8H11N2O2+ 1 167.0815 2.5
+  213.0865 C9H13N2O4+ 2 213.087 -2.29
+  249.1235 C13H17N2O3+ 1 249.1234 0.49
+PK$NUM_PEAK: 18
+PK$PEAK: m/z int. rel.int.
+  56.0496 47927 180
+  58.0654 32593.7 122
+  84.0444 39336 147
+  86.0966 188145.4 706
+  91.0545 42299.4 158
+  93.0701 35679.4 134
+  105.07 44203.4 166
+  107.0856 265914.6 999
+  117.07 21017 78
+  120.081 191462.8 719
+  127.0867 216489.1 813
+  135.0806 262665.4 986
+  135.1168 166446.4 625
+  155.0814 105956.3 398
+  163.1117 96727.1 363
+  167.0819 47176.9 177
+  213.0865 144803.1 544
+  249.1235 65739.8 246
+//
diff --git a/Eawag/MSBNK-EAWAG-EC183507.txt b/Eawag/MSBNK-EAWAG-EC183507.txt
new file mode 100644
index 0000000000..33c0f6cb5f
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC183507.txt
@@ -0,0 +1,84 @@
+ACCESSION: MSBNK-EAWAG-EC183507
+RECORD_TITLE: MC-FL; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], A. Miglione [dtc], L. Tartaglione [dtc], C. Dell'Aversano [dtc], M. Simonazzi [dtc], L. Pezzolesi [dtc], F. Guerrini [dtc], R. Pistocchi [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.toxicon.2013.03.016
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1835
+CH$NAME: MC-FL
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-8-benzyl-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-15-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H71N7O12
+CH$EXACT_MASS: 985.5160707
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C52H71N7O12/c1-29(2)25-40-49(65)54-38(22-21-30(3)26-31(4)42(71-10)28-37-19-15-12-16-20-37)32(5)45(61)55-39(51(67)68)23-24-43(60)59(9)35(8)48(64)53-34(7)47(63)57-41(27-36-17-13-11-14-18-36)50(66)58-44(52(69)70)33(6)46(62)56-40/h11-22,26,29,31-34,38-42,44H,8,23-25,27-28H2,1-7,9-10H3,(H,53,64)(H,54,65)(H,55,61)(H,56,62)(H,57,63)(H,58,66)(H,67,68)(H,69,70)/b22-21+,30-26+/t31-,32-,33-,34+,38-,39+,40-,41-,42-,44+/m0/s1
+CH$LINK: PUBCHEM CID:146683818
+CH$LINK: INCHIKEY JNMCFADRRBGAIM-QVWKUIOOSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1027
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 12.044 min
+MS$FOCUSED_ION: BASE_PEAK 111.0207
+MS$FOCUSED_ION: PRECURSOR_M/Z 986.5233
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0550-3900000000-f6adee4ebcc8138fe007
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  56.0496 C3H6N+ 1 56.0495 2.03
+  58.0652 C3H8N+ 1 58.0651 1.65
+  79.0545 C6H7+ 1 79.0542 3.88
+  84.0447 C4H6NO+ 1 84.0444 3.61
+  86.0966 C5H12N+ 1 86.0964 2.3
+  91.0544 C7H7+ 1 91.0542 1.82
+  93.0701 C7H9+ 1 93.0699 2.6
+  99.0921 C5H11N2+ 1 99.0917 4.52
+  103.0543 C8H7+ 1 103.0542 0.4
+  105.0701 C8H9+ 1 105.0699 1.71
+  107.0856 C8H11+ 1 107.0855 0.92
+  117.0698 C9H9+ 1 117.0699 -1.06
+  120.081 C8H10N+ 1 120.0808 1.47
+  127.0866 C6H11N2O+ 1 127.0866 0.36
+  135.0805 C9H11O+ 1 135.0804 0.26
+  135.1166 C10H15+ 1 135.1168 -1.5
+  138.055 C7H8NO2+ 1 138.055 0.54
+  155.0815 C7H11N2O2+ 1 155.0815 -0.31
+  163.1118 C11H15O+ 1 163.1117 0.37
+  167.0812 C8H11N2O2+ 1 167.0815 -1.88
+  213.0868 C9H13N2O4+ 1 213.087 -0.93
+PK$NUM_PEAK: 21
+PK$PEAK: m/z int. rel.int.
+  56.0496 80915.2 251
+  58.0652 25276.3 78
+  79.0545 23671 73
+  84.0447 67448.5 209
+  86.0966 160609.3 499
+  91.0544 77157.1 239
+  93.0701 73415.2 228
+  99.0921 26066.2 81
+  103.0543 77446 240
+  105.0701 100828.8 313
+  107.0856 321223.6 999
+  117.0698 39462.1 122
+  120.081 220598.2 686
+  127.0866 283212.6 880
+  135.0805 198146.8 616
+  135.1166 160478.8 499
+  138.055 34166.7 106
+  155.0815 52895 164
+  163.1118 39106.4 121
+  167.0812 73641.3 229
+  213.0868 66044.8 205
+//
diff --git a/Eawag/MSBNK-EAWAG-EC183508.txt b/Eawag/MSBNK-EAWAG-EC183508.txt
new file mode 100644
index 0000000000..c1afa47129
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC183508.txt
@@ -0,0 +1,74 @@
+ACCESSION: MSBNK-EAWAG-EC183508
+RECORD_TITLE: MC-FL; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], A. Miglione [dtc], L. Tartaglione [dtc], C. Dell'Aversano [dtc], M. Simonazzi [dtc], L. Pezzolesi [dtc], F. Guerrini [dtc], R. Pistocchi [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.toxicon.2013.03.016
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1835
+CH$NAME: MC-FL
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-8-benzyl-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-15-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H71N7O12
+CH$EXACT_MASS: 985.5160707
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C52H71N7O12/c1-29(2)25-40-49(65)54-38(22-21-30(3)26-31(4)42(71-10)28-37-19-15-12-16-20-37)32(5)45(61)55-39(51(67)68)23-24-43(60)59(9)35(8)48(64)53-34(7)47(63)57-41(27-36-17-13-11-14-18-36)50(66)58-44(52(69)70)33(6)46(62)56-40/h11-22,26,29,31-34,38-42,44H,8,23-25,27-28H2,1-7,9-10H3,(H,53,64)(H,54,65)(H,55,61)(H,56,62)(H,57,63)(H,58,66)(H,67,68)(H,69,70)/b22-21+,30-26+/t31-,32-,33-,34+,38-,39+,40-,41-,42-,44+/m0/s1
+CH$LINK: PUBCHEM CID:146683818
+CH$LINK: INCHIKEY JNMCFADRRBGAIM-QVWKUIOOSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1027
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 12.044 min
+MS$FOCUSED_ION: BASE_PEAK 111.0207
+MS$FOCUSED_ION: PRECURSOR_M/Z 986.5233
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0a4i-3900000000-3306cee6b8b00e15ad0c
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  56.0496 C3H6N+ 1 56.0495 2.23
+  79.0544 C6H7+ 1 79.0542 2.53
+  84.0445 C4H6NO+ 1 84.0444 1.43
+  86.0966 C5H12N+ 1 86.0964 2.47
+  91.0544 C7H7+ 1 91.0542 2.08
+  93.0701 C7H9+ 1 93.0699 2.52
+  103.0544 C8H7+ 1 103.0542 1.88
+  105.0701 C8H9+ 1 105.0699 2.15
+  107.0857 C8H11+ 1 107.0855 1.21
+  117.0699 C9H9+ 1 117.0699 0.11
+  120.0809 C8H10N+ 1 120.0808 1.27
+  127.0867 C6H11N2O+ 1 127.0866 0.48
+  131.0859 C10H11+ 1 131.0855 2.85
+  135.0805 C9H11O+ 1 135.0804 0.48
+  155.0819 C7H11N2O2+ 1 155.0815 2.64
+  167.0814 C8H11N2O2+ 1 167.0815 -0.33
+PK$NUM_PEAK: 16
+PK$PEAK: m/z int. rel.int.
+  56.0496 114670.9 354
+  79.0544 47378.5 146
+  84.0445 68724.8 212
+  86.0966 132878.2 410
+  91.0544 119862.9 370
+  93.0701 67341.5 207
+  103.0544 193279.7 596
+  105.0701 160719.6 496
+  107.0857 323567.6 999
+  117.0699 41360.6 127
+  120.0809 223164 689
+  127.0867 269940.4 833
+  131.0859 31454.2 97
+  135.0805 130342.9 402
+  155.0819 17022.4 52
+  167.0814 68381.1 211
+//
diff --git a/Eawag/MSBNK-EAWAG-EC183509.txt b/Eawag/MSBNK-EAWAG-EC183509.txt
new file mode 100644
index 0000000000..62740b6088
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC183509.txt
@@ -0,0 +1,76 @@
+ACCESSION: MSBNK-EAWAG-EC183509
+RECORD_TITLE: MC-FL; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], A. Miglione [dtc], L. Tartaglione [dtc], C. Dell'Aversano [dtc], M. Simonazzi [dtc], L. Pezzolesi [dtc], F. Guerrini [dtc], R. Pistocchi [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.toxicon.2013.03.016
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1835
+CH$NAME: MC-FL
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-8-benzyl-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-15-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H71N7O12
+CH$EXACT_MASS: 985.5160707
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C52H71N7O12/c1-29(2)25-40-49(65)54-38(22-21-30(3)26-31(4)42(71-10)28-37-19-15-12-16-20-37)32(5)45(61)55-39(51(67)68)23-24-43(60)59(9)35(8)48(64)53-34(7)47(63)57-41(27-36-17-13-11-14-18-36)50(66)58-44(52(69)70)33(6)46(62)56-40/h11-22,26,29,31-34,38-42,44H,8,23-25,27-28H2,1-7,9-10H3,(H,53,64)(H,54,65)(H,55,61)(H,56,62)(H,57,63)(H,58,66)(H,67,68)(H,69,70)/b22-21+,30-26+/t31-,32-,33-,34+,38-,39+,40-,41-,42-,44+/m0/s1
+CH$LINK: PUBCHEM CID:146683818
+CH$LINK: INCHIKEY JNMCFADRRBGAIM-QVWKUIOOSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1027
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 12.044 min
+MS$FOCUSED_ION: BASE_PEAK 111.0207
+MS$FOCUSED_ION: PRECURSOR_M/Z 986.5233
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0a4i-4900000000-b5e8312f83d6d6fe8396
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  56.0496 C3H6N+ 1 56.0495 2.23
+  58.0653 C3H8N+ 1 58.0651 3.29
+  79.0545 C6H7+ 1 79.0542 3.01
+  84.0446 C4H6NO+ 1 84.0444 2.7
+  86.0966 C5H12N+ 1 86.0964 1.77
+  91.0544 C7H7+ 1 91.0542 2.08
+  93.07 C7H9+ 1 93.0699 1.04
+  99.0919 C5H11N2+ 1 99.0917 2.75
+  103.0544 C8H7+ 1 103.0542 1.36
+  105.07 C8H9+ 1 105.0699 1.35
+  107.0857 C8H11+ 1 107.0855 1.78
+  117.0698 C9H9+ 1 117.0699 -0.48
+  120.081 C8H10N+ 1 120.0808 2.16
+  127.0867 C6H11N2O+ 1 127.0866 0.84
+  135.0806 C9H11O+ 1 135.0804 1.16
+  135.1166 C10H15+ 1 135.1168 -1.84
+  167.0814 C8H11N2O2+ 1 167.0815 -0.6
+PK$NUM_PEAK: 17
+PK$PEAK: m/z int. rel.int.
+  56.0496 181746.1 613
+  58.0653 27627.2 93
+  79.0545 63664.6 214
+  84.0446 66324.4 223
+  86.0966 85269.6 287
+  91.0544 191533.7 646
+  93.07 77175.1 260
+  99.0919 30270.7 102
+  103.0544 257723.4 870
+  105.07 163021.3 550
+  107.0857 295874.8 999
+  117.0698 48239 162
+  120.081 198688 670
+  127.0867 206337.4 696
+  135.0806 65053.2 219
+  135.1166 45524.5 153
+  167.0814 52466.8 177
+//
diff --git a/Eawag/MSBNK-EAWAG-EC183551.txt b/Eawag/MSBNK-EAWAG-EC183551.txt
new file mode 100644
index 0000000000..8e2b9792b9
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC183551.txt
@@ -0,0 +1,44 @@
+ACCESSION: MSBNK-EAWAG-EC183551
+RECORD_TITLE: MC-FL; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], A. Miglione [dtc], L. Tartaglione [dtc], C. Dell'Aversano [dtc], M. Simonazzi [dtc], L. Pezzolesi [dtc], F. Guerrini [dtc], R. Pistocchi [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.toxicon.2013.03.016
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1835
+CH$NAME: MC-FL
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-8-benzyl-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-15-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H71N7O12
+CH$EXACT_MASS: 985.5160707
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C52H71N7O12/c1-29(2)25-40-49(65)54-38(22-21-30(3)26-31(4)42(71-10)28-37-19-15-12-16-20-37)32(5)45(61)55-39(51(67)68)23-24-43(60)59(9)35(8)48(64)53-34(7)47(63)57-41(27-36-17-13-11-14-18-36)50(66)58-44(52(69)70)33(6)46(62)56-40/h11-22,26,29,31-34,38-42,44H,8,23-25,27-28H2,1-7,9-10H3,(H,53,64)(H,54,65)(H,55,61)(H,56,62)(H,57,63)(H,58,66)(H,67,68)(H,69,70)/b22-21+,30-26+/t31-,32-,33-,34+,38-,39+,40-,41-,42-,44+/m0/s1
+CH$LINK: PUBCHEM CID:146683818
+CH$LINK: INCHIKEY JNMCFADRRBGAIM-QVWKUIOOSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1025
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 12.031 min
+MS$FOCUSED_ION: BASE_PEAK 984.5088
+MS$FOCUSED_ION: PRECURSOR_M/Z 984.5088
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-001i-0000000009-ddf9fc308ac7cd82c315
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  984.5076 C52H70N7O12- 1 984.5088 -1.19
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  984.5076 1012801.4 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC183552.txt b/Eawag/MSBNK-EAWAG-EC183552.txt
new file mode 100644
index 0000000000..e000a7e783
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC183552.txt
@@ -0,0 +1,46 @@
+ACCESSION: MSBNK-EAWAG-EC183552
+RECORD_TITLE: MC-FL; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], A. Miglione [dtc], L. Tartaglione [dtc], C. Dell'Aversano [dtc], M. Simonazzi [dtc], L. Pezzolesi [dtc], F. Guerrini [dtc], R. Pistocchi [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.toxicon.2013.03.016
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1835
+CH$NAME: MC-FL
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-8-benzyl-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-15-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H71N7O12
+CH$EXACT_MASS: 985.5160707
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C52H71N7O12/c1-29(2)25-40-49(65)54-38(22-21-30(3)26-31(4)42(71-10)28-37-19-15-12-16-20-37)32(5)45(61)55-39(51(67)68)23-24-43(60)59(9)35(8)48(64)53-34(7)47(63)57-41(27-36-17-13-11-14-18-36)50(66)58-44(52(69)70)33(6)46(62)56-40/h11-22,26,29,31-34,38-42,44H,8,23-25,27-28H2,1-7,9-10H3,(H,53,64)(H,54,65)(H,55,61)(H,56,62)(H,57,63)(H,58,66)(H,67,68)(H,69,70)/b22-21+,30-26+/t31-,32-,33-,34+,38-,39+,40-,41-,42-,44+/m0/s1
+CH$LINK: PUBCHEM CID:146683818
+CH$LINK: INCHIKEY JNMCFADRRBGAIM-QVWKUIOOSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1025
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 12.031 min
+MS$FOCUSED_ION: BASE_PEAK 984.5088
+MS$FOCUSED_ION: PRECURSOR_M/Z 984.5088
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-001i-0000000009-84ff69fb32df334ff428
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  966.4988 C52H68N7O11- 1 966.4982 0.55
+  984.5077 C52H70N7O12- 1 984.5088 -1.13
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  966.4988 181620.6 215
+  984.5077 840123.9 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC183553.txt b/Eawag/MSBNK-EAWAG-EC183553.txt
new file mode 100644
index 0000000000..db7cb07166
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC183553.txt
@@ -0,0 +1,46 @@
+ACCESSION: MSBNK-EAWAG-EC183553
+RECORD_TITLE: MC-FL; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], A. Miglione [dtc], L. Tartaglione [dtc], C. Dell'Aversano [dtc], M. Simonazzi [dtc], L. Pezzolesi [dtc], F. Guerrini [dtc], R. Pistocchi [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.toxicon.2013.03.016
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1835
+CH$NAME: MC-FL
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-8-benzyl-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-15-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H71N7O12
+CH$EXACT_MASS: 985.5160707
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C52H71N7O12/c1-29(2)25-40-49(65)54-38(22-21-30(3)26-31(4)42(71-10)28-37-19-15-12-16-20-37)32(5)45(61)55-39(51(67)68)23-24-43(60)59(9)35(8)48(64)53-34(7)47(63)57-41(27-36-17-13-11-14-18-36)50(66)58-44(52(69)70)33(6)46(62)56-40/h11-22,26,29,31-34,38-42,44H,8,23-25,27-28H2,1-7,9-10H3,(H,53,64)(H,54,65)(H,55,61)(H,56,62)(H,57,63)(H,58,66)(H,67,68)(H,69,70)/b22-21+,30-26+/t31-,32-,33-,34+,38-,39+,40-,41-,42-,44+/m0/s1
+CH$LINK: PUBCHEM CID:146683818
+CH$LINK: INCHIKEY JNMCFADRRBGAIM-QVWKUIOOSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1025
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 12.031 min
+MS$FOCUSED_ION: BASE_PEAK 984.5088
+MS$FOCUSED_ION: PRECURSOR_M/Z 984.5088
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0159-0000000009-31b5f6f4770af686c4bc
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  966.4977 C52H68N7O11- 1 966.4982 -0.59
+  984.5057 C52H70N7O12- 1 984.5088 -3.18
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  966.4977 442002.6 999
+  984.5057 315941 714
+//
diff --git a/Eawag/MSBNK-EAWAG-EC183554.txt b/Eawag/MSBNK-EAWAG-EC183554.txt
new file mode 100644
index 0000000000..bb36e33207
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC183554.txt
@@ -0,0 +1,48 @@
+ACCESSION: MSBNK-EAWAG-EC183554
+RECORD_TITLE: MC-FL; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], A. Miglione [dtc], L. Tartaglione [dtc], C. Dell'Aversano [dtc], M. Simonazzi [dtc], L. Pezzolesi [dtc], F. Guerrini [dtc], R. Pistocchi [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.toxicon.2013.03.016
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1835
+CH$NAME: MC-FL
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-8-benzyl-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-15-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H71N7O12
+CH$EXACT_MASS: 985.5160707
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C52H71N7O12/c1-29(2)25-40-49(65)54-38(22-21-30(3)26-31(4)42(71-10)28-37-19-15-12-16-20-37)32(5)45(61)55-39(51(67)68)23-24-43(60)59(9)35(8)48(64)53-34(7)47(63)57-41(27-36-17-13-11-14-18-36)50(66)58-44(52(69)70)33(6)46(62)56-40/h11-22,26,29,31-34,38-42,44H,8,23-25,27-28H2,1-7,9-10H3,(H,53,64)(H,54,65)(H,55,61)(H,56,62)(H,57,63)(H,58,66)(H,67,68)(H,69,70)/b22-21+,30-26+/t31-,32-,33-,34+,38-,39+,40-,41-,42-,44+/m0/s1
+CH$LINK: PUBCHEM CID:146683818
+CH$LINK: INCHIKEY JNMCFADRRBGAIM-QVWKUIOOSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1025
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 12.031 min
+MS$FOCUSED_ION: BASE_PEAK 984.5088
+MS$FOCUSED_ION: PRECURSOR_M/Z 984.5088
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-016r-0630000009-37648f6bb35d43b3bb92
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  128.035 C5H6NO3- 1 128.0353 -2.69
+  283.1765 C12H27O7- 3 283.1762 0.91
+  966.4971 C52H68N7O11- 1 966.4982 -1.16
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  128.035 214891.2 676
+  283.1765 113192.1 356
+  966.4971 317385.7 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC183555.txt b/Eawag/MSBNK-EAWAG-EC183555.txt
new file mode 100644
index 0000000000..86045a944d
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC183555.txt
@@ -0,0 +1,54 @@
+ACCESSION: MSBNK-EAWAG-EC183555
+RECORD_TITLE: MC-FL; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], A. Miglione [dtc], L. Tartaglione [dtc], C. Dell'Aversano [dtc], M. Simonazzi [dtc], L. Pezzolesi [dtc], F. Guerrini [dtc], R. Pistocchi [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.toxicon.2013.03.016
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1835
+CH$NAME: MC-FL
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-8-benzyl-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-15-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H71N7O12
+CH$EXACT_MASS: 985.5160707
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C52H71N7O12/c1-29(2)25-40-49(65)54-38(22-21-30(3)26-31(4)42(71-10)28-37-19-15-12-16-20-37)32(5)45(61)55-39(51(67)68)23-24-43(60)59(9)35(8)48(64)53-34(7)47(63)57-41(27-36-17-13-11-14-18-36)50(66)58-44(52(69)70)33(6)46(62)56-40/h11-22,26,29,31-34,38-42,44H,8,23-25,27-28H2,1-7,9-10H3,(H,53,64)(H,54,65)(H,55,61)(H,56,62)(H,57,63)(H,58,66)(H,67,68)(H,69,70)/b22-21+,30-26+/t31-,32-,33-,34+,38-,39+,40-,41-,42-,44+/m0/s1
+CH$LINK: PUBCHEM CID:146683818
+CH$LINK: INCHIKEY JNMCFADRRBGAIM-QVWKUIOOSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1025
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 12.031 min
+MS$FOCUSED_ION: BASE_PEAK 984.5088
+MS$FOCUSED_ION: PRECURSOR_M/Z 984.5088
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-004i-0950000000-788d11547c98c9878d55
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  110.0246 C5H4NO2- 1 110.0248 -1.62
+  128.035 C5H6NO3- 1 128.0353 -2.21
+  153.0667 C7H9N2O2- 1 153.067 -1.64
+  200.1389 C7H16N6O- 1 200.1391 -0.9
+  265.1658 C12H25O6- 3 265.1657 0.41
+  283.1768 C12H27O7- 3 283.1762 2.09
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  110.0246 186344.4 338
+  128.035 550312.2 999
+  153.0667 48202.1 87
+  200.1389 85643 155
+  265.1658 228006.2 413
+  283.1768 180263.1 327
+//
diff --git a/Eawag/MSBNK-EAWAG-EC183556.txt b/Eawag/MSBNK-EAWAG-EC183556.txt
new file mode 100644
index 0000000000..9545ef7680
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC183556.txt
@@ -0,0 +1,58 @@
+ACCESSION: MSBNK-EAWAG-EC183556
+RECORD_TITLE: MC-FL; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], A. Miglione [dtc], L. Tartaglione [dtc], C. Dell'Aversano [dtc], M. Simonazzi [dtc], L. Pezzolesi [dtc], F. Guerrini [dtc], R. Pistocchi [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.toxicon.2013.03.016
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1835
+CH$NAME: MC-FL
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-8-benzyl-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-15-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H71N7O12
+CH$EXACT_MASS: 985.5160707
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C52H71N7O12/c1-29(2)25-40-49(65)54-38(22-21-30(3)26-31(4)42(71-10)28-37-19-15-12-16-20-37)32(5)45(61)55-39(51(67)68)23-24-43(60)59(9)35(8)48(64)53-34(7)47(63)57-41(27-36-17-13-11-14-18-36)50(66)58-44(52(69)70)33(6)46(62)56-40/h11-22,26,29,31-34,38-42,44H,8,23-25,27-28H2,1-7,9-10H3,(H,53,64)(H,54,65)(H,55,61)(H,56,62)(H,57,63)(H,58,66)(H,67,68)(H,69,70)/b22-21+,30-26+/t31-,32-,33-,34+,38-,39+,40-,41-,42-,44+/m0/s1
+CH$LINK: PUBCHEM CID:146683818
+CH$LINK: INCHIKEY JNMCFADRRBGAIM-QVWKUIOOSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1025
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 12.031 min
+MS$FOCUSED_ION: BASE_PEAK 984.5088
+MS$FOCUSED_ION: PRECURSOR_M/Z 984.5088
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00or-0910000000-86130745d1b98b336c45
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  99.0562 C4H7N2O- 1 99.0564 -1.64
+  110.0245 C5H4NO2- 1 110.0248 -2.24
+  128.035 C5H6NO3- 1 128.0353 -2.21
+  129.1031 C6H13N2O- 1 129.1033 -2.01
+  155.0824 C7H11N2O2- 1 155.0826 -1.33
+  165.1026 C7H11N5- 2 165.102 3.96
+  182.129 C7H14N6- 1 182.1285 2.26
+  265.1663 C12H25O6- 3 265.1657 2.25
+PK$NUM_PEAK: 8
+PK$PEAK: m/z int. rel.int.
+  99.0562 48677.7 120
+  110.0245 201123.4 497
+  128.035 403709.9 999
+  129.1031 71590.5 177
+  155.0824 32744 81
+  165.1026 82272.4 203
+  182.129 65838.9 162
+  265.1663 177476.5 439
+//
diff --git a/Eawag/MSBNK-EAWAG-EC183557.txt b/Eawag/MSBNK-EAWAG-EC183557.txt
new file mode 100644
index 0000000000..2a86c4e9ab
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC183557.txt
@@ -0,0 +1,66 @@
+ACCESSION: MSBNK-EAWAG-EC183557
+RECORD_TITLE: MC-FL; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], A. Miglione [dtc], L. Tartaglione [dtc], C. Dell'Aversano [dtc], M. Simonazzi [dtc], L. Pezzolesi [dtc], F. Guerrini [dtc], R. Pistocchi [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.toxicon.2013.03.016
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1835
+CH$NAME: MC-FL
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-8-benzyl-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-15-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H71N7O12
+CH$EXACT_MASS: 985.5160707
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C52H71N7O12/c1-29(2)25-40-49(65)54-38(22-21-30(3)26-31(4)42(71-10)28-37-19-15-12-16-20-37)32(5)45(61)55-39(51(67)68)23-24-43(60)59(9)35(8)48(64)53-34(7)47(63)57-41(27-36-17-13-11-14-18-36)50(66)58-44(52(69)70)33(6)46(62)56-40/h11-22,26,29,31-34,38-42,44H,8,23-25,27-28H2,1-7,9-10H3,(H,53,64)(H,54,65)(H,55,61)(H,56,62)(H,57,63)(H,58,66)(H,67,68)(H,69,70)/b22-21+,30-26+/t31-,32-,33-,34+,38-,39+,40-,41-,42-,44+/m0/s1
+CH$LINK: PUBCHEM CID:146683818
+CH$LINK: INCHIKEY JNMCFADRRBGAIM-QVWKUIOOSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1025
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 12.031 min
+MS$FOCUSED_ION: BASE_PEAK 984.5088
+MS$FOCUSED_ION: PRECURSOR_M/Z 984.5088
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0059-1900000000-7186a1e16252d6aeb4af
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  84.0457 C4H6NO- 1 84.0455 1.96
+  99.0565 C4H7N2O- 1 99.0564 0.75
+  110.0246 C5H4NO2- 1 110.0248 -1.41
+  124.0403 C6H6NO2- 1 124.0404 -0.78
+  127.0513 C5H7N2O2- 1 127.0513 0.25
+  128.035 C5H6NO3- 1 128.0353 -2.09
+  129.103 C6H13N2O- 1 129.1033 -2.36
+  153.0668 C7H9N2O2- 1 153.067 -1.24
+  165.1026 C7H11N5- 2 165.102 3.68
+  180.1136 C7H12N6- 2 180.1129 3.88
+  182.1288 C7H14N6- 1 182.1285 1.59
+  200.1394 C7H16N6O- 1 200.1391 1.54
+PK$NUM_PEAK: 12
+PK$PEAK: m/z int. rel.int.
+  84.0457 37231.3 131
+  99.0565 61211.3 216
+  110.0246 179502.8 634
+  124.0403 48729.2 172
+  127.0513 26872.7 94
+  128.035 282709.1 999
+  129.103 77212.5 272
+  153.0668 32026 113
+  165.1026 86353.5 305
+  180.1136 49417.9 174
+  182.1288 98971.8 349
+  200.1394 66081.2 233
+//
diff --git a/Eawag/MSBNK-EAWAG-EC183558.txt b/Eawag/MSBNK-EAWAG-EC183558.txt
new file mode 100644
index 0000000000..11c507b432
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC183558.txt
@@ -0,0 +1,60 @@
+ACCESSION: MSBNK-EAWAG-EC183558
+RECORD_TITLE: MC-FL; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], A. Miglione [dtc], L. Tartaglione [dtc], C. Dell'Aversano [dtc], M. Simonazzi [dtc], L. Pezzolesi [dtc], F. Guerrini [dtc], R. Pistocchi [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.toxicon.2013.03.016
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1835
+CH$NAME: MC-FL
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-8-benzyl-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-15-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H71N7O12
+CH$EXACT_MASS: 985.5160707
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C52H71N7O12/c1-29(2)25-40-49(65)54-38(22-21-30(3)26-31(4)42(71-10)28-37-19-15-12-16-20-37)32(5)45(61)55-39(51(67)68)23-24-43(60)59(9)35(8)48(64)53-34(7)47(63)57-41(27-36-17-13-11-14-18-36)50(66)58-44(52(69)70)33(6)46(62)56-40/h11-22,26,29,31-34,38-42,44H,8,23-25,27-28H2,1-7,9-10H3,(H,53,64)(H,54,65)(H,55,61)(H,56,62)(H,57,63)(H,58,66)(H,67,68)(H,69,70)/b22-21+,30-26+/t31-,32-,33-,34+,38-,39+,40-,41-,42-,44+/m0/s1
+CH$LINK: PUBCHEM CID:146683818
+CH$LINK: INCHIKEY JNMCFADRRBGAIM-QVWKUIOOSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1025
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 12.031 min
+MS$FOCUSED_ION: BASE_PEAK 984.5088
+MS$FOCUSED_ION: PRECURSOR_M/Z 984.5088
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-01u0-0900000000-a70b19f17036c2ea36d9
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  84.0455 C4H6NO- 1 84.0455 0.69
+  99.0564 C4H7N2O- 1 99.0564 0.59
+  110.0246 C5H4NO2- 1 110.0248 -1.13
+  124.0403 C6H6NO2- 1 124.0404 -0.54
+  128.0349 C5H6NO3- 1 128.0353 -2.92
+  129.1032 C6H13N2O- 1 129.1033 -1.06
+  139.0875 C7H11N2O- 1 139.0877 -1.15
+  165.1027 C7H11N5- 2 165.102 4.14
+  182.129 C7H14N6- 2 182.1285 2.68
+PK$NUM_PEAK: 9
+PK$PEAK: m/z int. rel.int.
+  84.0455 20422.6 159
+  99.0564 35153.1 274
+  110.0246 124048.5 969
+  124.0403 35581.9 278
+  128.0349 127854.9 999
+  129.1032 64939.2 507
+  139.0875 32113.5 250
+  165.1027 40085.4 313
+  182.129 84392.3 659
+//
diff --git a/Eawag/MSBNK-EAWAG-EC187701.txt b/Eawag/MSBNK-EAWAG-EC187701.txt
new file mode 100644
index 0000000000..1d821ad392
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC187701.txt
@@ -0,0 +1,45 @@
+ACCESSION: MSBNK-EAWAG-EC187701
+RECORD_TITLE: [D-MeO-Glu6]MC-LR; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: http://dx.doi.org/10.1016/j.toxicon.2013.03.016
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1877
+CH$NAME: [D-MeO-Glu6]MC-LR
+CH$NAME: [D-Glu(OMe)6]MC-LR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-22-methoxycarbonyl-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11-carboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C50H76N10O12
+CH$EXACT_MASS: 1008.564418
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)OC)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C50H76N10O12/c1-27(2)24-38-47(67)59-41(48(68)69)31(6)43(63)56-36(18-15-23-53-50(51)52)46(66)55-35(20-19-28(3)25-29(4)39(71-10)26-34-16-13-12-14-17-34)30(5)42(62)57-37(49(70)72-11)21-22-40(61)60(9)33(8)45(65)54-32(7)44(64)58-38/h12-14,16-17,19-20,25,27,29-32,35-39,41H,8,15,18,21-24,26H2,1-7,9-11H3,(H,54,65)(H,55,66)(H,56,63)(H,57,62)(H,58,64)(H,59,67)(H,68,69)(H4,51,52,53)/b20-19+,28-25+/t29-,30-,31-,32+,35-,36-,37+,38-,39-,41+/m0/s1
+CH$LINK: PUBCHEM CID:101643573
+CH$LINK: INCHIKEY PONFOSATPJORFV-AFQNMZSJSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1051
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 16.038 min
+MS$FOCUSED_ION: BASE_PEAK 505.2894
+MS$FOCUSED_ION: PRECURSOR_M/Z 1009.5717
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0a4i-9000000000-d9ccadb8f45aacdfb58f
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  1009.5722 C50H77N10O12+ 1 1009.5717 0.52
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  1009.5722 3922571.2 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC187702.txt b/Eawag/MSBNK-EAWAG-EC187702.txt
new file mode 100644
index 0000000000..fddb5e6004
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC187702.txt
@@ -0,0 +1,45 @@
+ACCESSION: MSBNK-EAWAG-EC187702
+RECORD_TITLE: [D-MeO-Glu6]MC-LR; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: http://dx.doi.org/10.1016/j.toxicon.2013.03.016
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1877
+CH$NAME: [D-MeO-Glu6]MC-LR
+CH$NAME: [D-Glu(OMe)6]MC-LR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-22-methoxycarbonyl-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11-carboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C50H76N10O12
+CH$EXACT_MASS: 1008.564418
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)OC)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C50H76N10O12/c1-27(2)24-38-47(67)59-41(48(68)69)31(6)43(63)56-36(18-15-23-53-50(51)52)46(66)55-35(20-19-28(3)25-29(4)39(71-10)26-34-16-13-12-14-17-34)30(5)42(62)57-37(49(70)72-11)21-22-40(61)60(9)33(8)45(65)54-32(7)44(64)58-38/h12-14,16-17,19-20,25,27,29-32,35-39,41H,8,15,18,21-24,26H2,1-7,9-11H3,(H,54,65)(H,55,66)(H,56,63)(H,57,62)(H,58,64)(H,59,67)(H,68,69)(H4,51,52,53)/b20-19+,28-25+/t29-,30-,31-,32+,35-,36-,37+,38-,39-,41+/m0/s1
+CH$LINK: PUBCHEM CID:101643573
+CH$LINK: INCHIKEY PONFOSATPJORFV-AFQNMZSJSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1051
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 16.038 min
+MS$FOCUSED_ION: BASE_PEAK 505.2894
+MS$FOCUSED_ION: PRECURSOR_M/Z 1009.5717
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0a4i-9000000000-24ef197c8d77c9ea32a8
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  1009.5721 C50H77N10O12+ 1 1009.5717 0.39
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  1009.5721 2548072.2 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC187703.txt b/Eawag/MSBNK-EAWAG-EC187703.txt
new file mode 100644
index 0000000000..6229dbff06
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC187703.txt
@@ -0,0 +1,47 @@
+ACCESSION: MSBNK-EAWAG-EC187703
+RECORD_TITLE: [D-MeO-Glu6]MC-LR; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: http://dx.doi.org/10.1016/j.toxicon.2013.03.016
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1877
+CH$NAME: [D-MeO-Glu6]MC-LR
+CH$NAME: [D-Glu(OMe)6]MC-LR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-22-methoxycarbonyl-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11-carboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C50H76N10O12
+CH$EXACT_MASS: 1008.564418
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)OC)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C50H76N10O12/c1-27(2)24-38-47(67)59-41(48(68)69)31(6)43(63)56-36(18-15-23-53-50(51)52)46(66)55-35(20-19-28(3)25-29(4)39(71-10)26-34-16-13-12-14-17-34)30(5)42(62)57-37(49(70)72-11)21-22-40(61)60(9)33(8)45(65)54-32(7)44(64)58-38/h12-14,16-17,19-20,25,27,29-32,35-39,41H,8,15,18,21-24,26H2,1-7,9-11H3,(H,54,65)(H,55,66)(H,56,63)(H,57,62)(H,58,64)(H,59,67)(H,68,69)(H4,51,52,53)/b20-19+,28-25+/t29-,30-,31-,32+,35-,36-,37+,38-,39-,41+/m0/s1
+CH$LINK: PUBCHEM CID:101643573
+CH$LINK: INCHIKEY PONFOSATPJORFV-AFQNMZSJSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1051
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 16.038 min
+MS$FOCUSED_ION: BASE_PEAK 505.2894
+MS$FOCUSED_ION: PRECURSOR_M/Z 1009.5717
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0a4i-9000000000-272a4c40e08d76a1ea86
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  135.0803 C9H11O+ 1 135.0804 -0.94
+  1009.5719 C50H77N10O12+ 1 1009.5717 0.21
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  135.0803 29637.6 18
+  1009.5719 1624547.9 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC187704.txt b/Eawag/MSBNK-EAWAG-EC187704.txt
new file mode 100644
index 0000000000..7235db04eb
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC187704.txt
@@ -0,0 +1,61 @@
+ACCESSION: MSBNK-EAWAG-EC187704
+RECORD_TITLE: [D-MeO-Glu6]MC-LR; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: http://dx.doi.org/10.1016/j.toxicon.2013.03.016
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1877
+CH$NAME: [D-MeO-Glu6]MC-LR
+CH$NAME: [D-Glu(OMe)6]MC-LR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-22-methoxycarbonyl-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11-carboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C50H76N10O12
+CH$EXACT_MASS: 1008.564418
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)OC)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C50H76N10O12/c1-27(2)24-38-47(67)59-41(48(68)69)31(6)43(63)56-36(18-15-23-53-50(51)52)46(66)55-35(20-19-28(3)25-29(4)39(71-10)26-34-16-13-12-14-17-34)30(5)42(62)57-37(49(70)72-11)21-22-40(61)60(9)33(8)45(65)54-32(7)44(64)58-38/h12-14,16-17,19-20,25,27,29-32,35-39,41H,8,15,18,21-24,26H2,1-7,9-11H3,(H,54,65)(H,55,66)(H,56,63)(H,57,62)(H,58,64)(H,59,67)(H,68,69)(H4,51,52,53)/b20-19+,28-25+/t29-,30-,31-,32+,35-,36-,37+,38-,39-,41+/m0/s1
+CH$LINK: PUBCHEM CID:101643573
+CH$LINK: INCHIKEY PONFOSATPJORFV-AFQNMZSJSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1051
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 16.038 min
+MS$FOCUSED_ION: BASE_PEAK 505.2894
+MS$FOCUSED_ION: PRECURSOR_M/Z 1009.5717
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-052r-8924000000-551dd8ed1cac3825c004
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  86.0964 C5H12N+ 1 86.0964 -0.23
+  112.087 C5H10N3+ 1 112.0869 0.98
+  135.0804 C9H11O+ 1 135.0804 -0.15
+  135.1166 C10H15+ 1 135.1168 -1.8
+  163.1113 C11H15O+ 1 163.1117 -2.53
+  174.1348 C6H16N5O+ 1 174.1349 -0.69
+  227.1023 C10H15N2O4+ 2 227.1026 -1.29
+  389.2078 C7H31N7O11+ 6 389.2076 0.46
+  1009.5724 C50H77N10O12+ 1 1009.5717 0.7
+PK$NUM_PEAK: 9
+PK$PEAK: m/z int. rel.int.
+  86.0964 66749.4 122
+  112.087 26154.2 47
+  135.0804 199711.5 366
+  135.1166 156870.4 287
+  163.1113 213461.7 391
+  174.1348 61631.4 112
+  227.1023 201384.7 369
+  389.2078 294660.2 540
+  1009.5724 545082.6 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC187705.txt b/Eawag/MSBNK-EAWAG-EC187705.txt
new file mode 100644
index 0000000000..99cee27bd8
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC187705.txt
@@ -0,0 +1,109 @@
+ACCESSION: MSBNK-EAWAG-EC187705
+RECORD_TITLE: [D-MeO-Glu6]MC-LR; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: http://dx.doi.org/10.1016/j.toxicon.2013.03.016
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1877
+CH$NAME: [D-MeO-Glu6]MC-LR
+CH$NAME: [D-Glu(OMe)6]MC-LR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-22-methoxycarbonyl-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11-carboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C50H76N10O12
+CH$EXACT_MASS: 1008.564418
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)OC)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C50H76N10O12/c1-27(2)24-38-47(67)59-41(48(68)69)31(6)43(63)56-36(18-15-23-53-50(51)52)46(66)55-35(20-19-28(3)25-29(4)39(71-10)26-34-16-13-12-14-17-34)30(5)42(62)57-37(49(70)72-11)21-22-40(61)60(9)33(8)45(65)54-32(7)44(64)58-38/h12-14,16-17,19-20,25,27,29-32,35-39,41H,8,15,18,21-24,26H2,1-7,9-11H3,(H,54,65)(H,55,66)(H,56,63)(H,57,62)(H,58,64)(H,59,67)(H,68,69)(H4,51,52,53)/b20-19+,28-25+/t29-,30-,31-,32+,35-,36-,37+,38-,39-,41+/m0/s1
+CH$LINK: PUBCHEM CID:101643573
+CH$LINK: INCHIKEY PONFOSATPJORFV-AFQNMZSJSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1051
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 16.038 min
+MS$FOCUSED_ION: BASE_PEAK 505.2894
+MS$FOCUSED_ION: PRECURSOR_M/Z 1009.5717
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-000i-1920000000-f6fb0fe0beaee2cb8de9
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  56.0496 C3H6N+ 1 56.0495 1.75
+  70.0651 C4H8N+ 1 70.0651 -0.39
+  84.0443 C4H6NO+ 1 84.0444 -0.98
+  86.0965 C5H12N+ 1 86.0964 0.48
+  91.0543 C7H7+ 1 91.0542 1.31
+  93.0699 C7H9+ 1 93.0699 0.18
+  103.0544 C8H7+ 1 103.0542 2.09
+  105.07 C8H9+ 1 105.0699 1.37
+  107.0855 C8H11+ 1 107.0855 0.1
+  112.087 C5H10N3+ 1 112.0869 0.57
+  113.071 C5H9N2O+ 1 113.0709 0.83
+  114.1028 C5H12N3+ 1 114.1026 1.71
+  115.0866 C5H11N2O+ 1 115.0866 0.23
+  117.0699 C9H9+ 1 117.0699 0.07
+  127.0867 C6H11N2O+ 1 127.0866 0.83
+  135.0804 C9H11O+ 1 135.0804 -0.26
+  135.1167 C10H15+ 1 135.1168 -0.89
+  144.0655 C6H10NO3+ 1 144.0655 -0.17
+  155.0813 C7H11N2O2+ 1 155.0815 -1.32
+  156.1242 C6H14N5+ 1 156.1244 -0.93
+  157.1083 C6H13N4O+ 1 157.1084 -0.83
+  161.0959 C11H13O+ 1 161.0961 -0.97
+  163.1114 C11H15O+ 1 163.1117 -1.88
+  167.0816 C8H11N2O2+ 1 167.0815 0.74
+  174.1344 C6H16N5O+ 3 174.1349 -2.8
+  200.1136 C7H14N5O2+ 3 200.1142 -3.13
+  209.0914 C10H13N2O3+ 2 209.0921 -3.13
+  209.1312 H17N8O5+ 2 209.1316 -2.07
+  218.1532 C14H20NO+ 2 218.1539 -3.55
+  227.1021 C10H15N2O4+ 2 227.1026 -2.5
+  285.1667 C10H25N2O7+ 3 285.1656 3.63
+  303.178 C11H23N6O4+ 3 303.1775 1.68
+  389.2074 C7H31N7O11+ 7 389.2076 -0.48
+PK$NUM_PEAK: 33
+PK$PEAK: m/z int. rel.int.
+  56.0496 71118.2 55
+  70.0651 343554.9 267
+  84.0443 110858.1 86
+  86.0965 357016.1 277
+  91.0543 50090.8 38
+  93.0699 94204.4 73
+  103.0544 29381.1 22
+  105.07 118994 92
+  107.0855 646731 502
+  112.087 233099.2 181
+  113.071 43231.3 33
+  114.1028 23860.5 18
+  115.0866 97479.5 75
+  117.0699 62149.7 48
+  127.0867 217192.7 168
+  135.0804 1284962.1 999
+  135.1167 958450 745
+  144.0655 182730.3 142
+  155.0813 295756.8 229
+  156.1242 29340.7 22
+  157.1083 133572.3 103
+  161.0959 60842.3 47
+  163.1114 492227.4 382
+  167.0816 16653.6 12
+  174.1344 210118.4 163
+  200.1136 236263.4 183
+  209.0914 92356.7 71
+  209.1312 44889.4 34
+  218.1532 62877.5 48
+  227.1021 916152.4 712
+  285.1667 78231.4 60
+  303.178 58423.7 45
+  389.2074 196873.9 153
+//
diff --git a/Eawag/MSBNK-EAWAG-EC187706.txt b/Eawag/MSBNK-EAWAG-EC187706.txt
new file mode 100644
index 0000000000..0b4e8b84ed
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC187706.txt
@@ -0,0 +1,119 @@
+ACCESSION: MSBNK-EAWAG-EC187706
+RECORD_TITLE: [D-MeO-Glu6]MC-LR; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: http://dx.doi.org/10.1016/j.toxicon.2013.03.016
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1877
+CH$NAME: [D-MeO-Glu6]MC-LR
+CH$NAME: [D-Glu(OMe)6]MC-LR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-22-methoxycarbonyl-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11-carboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C50H76N10O12
+CH$EXACT_MASS: 1008.564418
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)OC)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C50H76N10O12/c1-27(2)24-38-47(67)59-41(48(68)69)31(6)43(63)56-36(18-15-23-53-50(51)52)46(66)55-35(20-19-28(3)25-29(4)39(71-10)26-34-16-13-12-14-17-34)30(5)42(62)57-37(49(70)72-11)21-22-40(61)60(9)33(8)45(65)54-32(7)44(64)58-38/h12-14,16-17,19-20,25,27,29-32,35-39,41H,8,15,18,21-24,26H2,1-7,9-11H3,(H,54,65)(H,55,66)(H,56,63)(H,57,62)(H,58,64)(H,59,67)(H,68,69)(H4,51,52,53)/b20-19+,28-25+/t29-,30-,31-,32+,35-,36-,37+,38-,39-,41+/m0/s1
+CH$LINK: PUBCHEM CID:101643573
+CH$LINK: INCHIKEY PONFOSATPJORFV-AFQNMZSJSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1051
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 16.038 min
+MS$FOCUSED_ION: BASE_PEAK 505.2894
+MS$FOCUSED_ION: PRECURSOR_M/Z 1009.5717
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-052r-2910000000-6fae918f1721f18052eb
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  56.0494 C3H6N+ 1 56.0495 -0.56
+  70.0651 C4H8N+ 1 70.0651 0.04
+  79.0543 C6H7+ 1 79.0542 1.27
+  84.0445 C4H6NO+ 1 84.0444 1.01
+  86.0964 C5H12N+ 1 86.0964 -0.41
+  91.0542 C7H7+ 1 91.0542 -0.2
+  93.0698 C7H9+ 1 93.0699 -0.73
+  98.0599 C5H8NO+ 1 98.06 -1.7
+  103.0542 C8H7+ 1 103.0542 0.17
+  105.0699 C8H9+ 1 105.0699 0.5
+  107.0855 C8H11+ 1 107.0855 -0.04
+  112.0868 C5H10N3+ 1 112.0869 -0.72
+  113.071 C5H9N2O+ 1 113.0709 0.35
+  115.0866 C5H11N2O+ 1 115.0866 -0.3
+  117.0697 C9H9+ 1 117.0699 -1.24
+  119.0854 C9H11+ 1 119.0855 -1.24
+  120.0809 C8H10N+ 1 120.0808 0.73
+  124.1121 C8H14N+ 1 124.1121 0.41
+  127.0865 C6H11N2O+ 1 127.0866 -0.73
+  131.0856 C10H11+ 1 131.0855 0.68
+  135.0803 C9H11O+ 1 135.0804 -0.83
+  135.1166 C10H15+ 1 135.1168 -1.8
+  140.0815 C6H10N3O+ 1 140.0818 -2.54
+  142.0502 C6H8NO3+ 1 142.0499 2.13
+  144.0653 C6H10NO3+ 1 144.0655 -1.33
+  155.0811 C7H11N2O2+ 1 155.0815 -2.4
+  157.1085 C6H13N4O+ 1 157.1084 0.82
+  161.0959 C11H13O+ 1 161.0961 -1.44
+  163.1113 C11H15O+ 1 163.1117 -2.81
+  167.081 C8H11N2O2+ 1 167.0815 -3
+  174.1347 C6H16N5O+ 1 174.1349 -1.31
+  182.1034 C7H12N5O+ 1 182.1036 -1.1
+  200.1138 C7H14N5O2+ 3 200.1142 -2.22
+  209.0912 C10H13N2O3+ 2 209.0921 -4.15
+  209.1307 H17N8O5+ 2 209.1316 -4.48
+  218.1537 C14H20NO+ 3 218.1539 -1.31
+  225.0872 C10H13N2O4+ 2 225.087 0.98
+  227.1018 C10H15N2O4+ 2 227.1026 -3.78
+PK$NUM_PEAK: 38
+PK$PEAK: m/z int. rel.int.
+  56.0494 158990.8 87
+  70.0651 783445.2 433
+  79.0543 63845.2 35
+  84.0445 257133.4 142
+  86.0964 437672.2 242
+  91.0542 139065 76
+  93.0698 299726 165
+  98.0599 68109.3 37
+  103.0542 272768.9 150
+  105.0699 396825 219
+  107.0855 1329074.2 735
+  112.0868 301862.2 166
+  113.071 70481.9 38
+  115.0866 152136.4 84
+  117.0697 177438.6 98
+  119.0854 26543.2 14
+  120.0809 43631.9 24
+  124.1121 39765.5 21
+  127.0865 596615.3 330
+  131.0856 54041.6 29
+  135.0803 1805978.2 999
+  135.1166 1057184.6 584
+  140.0815 87801.2 48
+  142.0502 54657.8 30
+  144.0653 209066.4 115
+  155.0811 333006.6 184
+  157.1085 147512.9 81
+  161.0959 52367.2 28
+  163.1113 307246.2 169
+  167.081 132804.7 73
+  174.1347 116585.8 64
+  182.1034 39887.6 22
+  200.1138 180542.8 99
+  209.0912 158701.7 87
+  209.1307 37111 20
+  218.1537 40285.1 22
+  225.0872 37371.1 20
+  227.1018 753252.2 416
+//
diff --git a/Eawag/MSBNK-EAWAG-EC187707.txt b/Eawag/MSBNK-EAWAG-EC187707.txt
new file mode 100644
index 0000000000..74a6390a05
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC187707.txt
@@ -0,0 +1,131 @@
+ACCESSION: MSBNK-EAWAG-EC187707
+RECORD_TITLE: [D-MeO-Glu6]MC-LR; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: http://dx.doi.org/10.1016/j.toxicon.2013.03.016
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1877
+CH$NAME: [D-MeO-Glu6]MC-LR
+CH$NAME: [D-Glu(OMe)6]MC-LR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-22-methoxycarbonyl-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11-carboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C50H76N10O12
+CH$EXACT_MASS: 1008.564418
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)OC)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C50H76N10O12/c1-27(2)24-38-47(67)59-41(48(68)69)31(6)43(63)56-36(18-15-23-53-50(51)52)46(66)55-35(20-19-28(3)25-29(4)39(71-10)26-34-16-13-12-14-17-34)30(5)42(62)57-37(49(70)72-11)21-22-40(61)60(9)33(8)45(65)54-32(7)44(64)58-38/h12-14,16-17,19-20,25,27,29-32,35-39,41H,8,15,18,21-24,26H2,1-7,9-11H3,(H,54,65)(H,55,66)(H,56,63)(H,57,62)(H,58,64)(H,59,67)(H,68,69)(H4,51,52,53)/b20-19+,28-25+/t29-,30-,31-,32+,35-,36-,37+,38-,39-,41+/m0/s1
+CH$LINK: PUBCHEM CID:101643573
+CH$LINK: INCHIKEY PONFOSATPJORFV-AFQNMZSJSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1051
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 16.038 min
+MS$FOCUSED_ION: BASE_PEAK 505.2894
+MS$FOCUSED_ION: PRECURSOR_M/Z 1009.5717
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-052r-3900000000-41a26dfcdd53f7a65b51
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  56.0495 C3H6N+ 1 56.0495 -0.22
+  60.0557 CH6N3+ 1 60.0556 0.56
+  70.0651 C4H8N+ 1 70.0651 -0.18
+  79.0542 C6H7+ 1 79.0542 -0.18
+  82.029 C4H4NO+ 1 82.0287 2.67
+  82.0653 C5H8N+ 1 82.0651 2.38
+  84.0444 C4H6NO+ 1 84.0444 -0.35
+  86.0964 C5H12N+ 1 86.0964 -0.32
+  91.0541 C7H7+ 1 91.0542 -0.87
+  93.0699 C7H9+ 1 93.0699 -0.23
+  95.0605 C5H7N2+ 1 95.0604 1.71
+  98.0601 C5H8NO+ 1 98.06 0.4
+  99.0916 C5H11N2+ 1 99.0917 -0.47
+  103.0542 C8H7+ 1 103.0542 -0.35
+  105.0698 C8H9+ 1 105.0699 -0.66
+  107.0855 C8H11+ 1 107.0855 -0.26
+  109.0651 C7H9O+ 1 109.0648 2.55
+  112.0869 C5H10N3+ 1 112.0869 -0.18
+  113.0711 C5H9N2O+ 1 113.0709 1.57
+  114.1025 C5H12N3+ 1 114.1026 -0.96
+  115.0545 C9H7+ 1 115.0542 2.14
+  115.0866 C5H11N2O+ 1 115.0866 -0.17
+  117.0698 C9H9+ 1 117.0699 -0.71
+  119.0856 C9H11+ 1 119.0855 0.81
+  120.0808 C8H10N+ 1 120.0808 -0.03
+  127.0865 C6H11N2O+ 1 127.0866 -0.55
+  131.0856 C10H11+ 1 131.0855 0.8
+  135.0803 C9H11O+ 1 135.0804 -0.94
+  135.1165 C10H15+ 1 135.1168 -2.14
+  138.0547 C7H8NO2+ 1 138.055 -2.05
+  141.0658 C6H9N2O2+ 1 141.0659 -0.73
+  142.0494 C6H8NO3+ 1 142.0499 -3.34
+  142.0864 C7H12NO2+ 1 142.0863 1.32
+  144.0653 C6H10NO3+ 1 144.0655 -1.86
+  145.1012 C11H13+ 1 145.1012 0.07
+  149.0711 C8H9N2O+ 1 149.0709 1.26
+  155.0811 C7H11N2O2+ 1 155.0815 -2.3
+  157.1083 C6H13N4O+ 1 157.1084 -0.64
+  163.1115 C11H15O+ 1 163.1117 -1.41
+  167.0811 C8H11N2O2+ 1 167.0815 -2.45
+  183.0869 C6H15O6+ 3 183.0863 3.29
+  201.0976 C7H13N4O3+ 3 201.0982 -3.04
+  209.0917 C10H13N2O3+ 2 209.0921 -1.97
+  227.1019 C10H15N2O4+ 2 227.1026 -3.04
+PK$NUM_PEAK: 44
+PK$PEAK: m/z int. rel.int.
+  56.0495 230034.4 162
+  60.0557 54759.3 38
+  70.0651 1044515.4 737
+  79.0542 113200.8 79
+  82.029 40497.1 28
+  82.0653 66596.3 46
+  84.0444 375088.1 264
+  86.0964 363393.6 256
+  91.0541 298125.2 210
+  93.0699 410173.2 289
+  95.0605 47140.1 33
+  98.0601 104694.1 73
+  99.0916 61518.3 43
+  103.0542 684955.3 483
+  105.0698 675440.6 476
+  107.0855 1415644.2 999
+  109.0651 30176.8 21
+  112.0869 314969.2 222
+  113.0711 57574.6 40
+  114.1025 64364.9 45
+  115.0545 94489.6 66
+  115.0866 177326.6 125
+  117.0698 318056 224
+  119.0856 52899 37
+  120.0808 45589.7 32
+  127.0865 744181.8 525
+  131.0856 46861.5 33
+  135.0803 1231611.5 869
+  135.1165 577451.9 407
+  138.0547 85521.7 60
+  141.0658 151912.8 107
+  142.0494 70186.7 49
+  142.0864 31853.3 22
+  144.0653 132466.2 93
+  145.1012 59327.6 41
+  149.0711 60543.3 42
+  155.0811 188566.2 133
+  157.1083 79073.5 55
+  163.1115 130718.2 92
+  167.0811 277658.1 195
+  183.0869 40155.2 28
+  201.0976 46176.5 32
+  209.0917 192589.3 135
+  227.1019 333322.4 235
+//
diff --git a/Eawag/MSBNK-EAWAG-EC187708.txt b/Eawag/MSBNK-EAWAG-EC187708.txt
new file mode 100644
index 0000000000..6200fcf3f8
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC187708.txt
@@ -0,0 +1,117 @@
+ACCESSION: MSBNK-EAWAG-EC187708
+RECORD_TITLE: [D-MeO-Glu6]MC-LR; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: http://dx.doi.org/10.1016/j.toxicon.2013.03.016
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1877
+CH$NAME: [D-MeO-Glu6]MC-LR
+CH$NAME: [D-Glu(OMe)6]MC-LR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-22-methoxycarbonyl-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11-carboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C50H76N10O12
+CH$EXACT_MASS: 1008.564418
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)OC)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C50H76N10O12/c1-27(2)24-38-47(67)59-41(48(68)69)31(6)43(63)56-36(18-15-23-53-50(51)52)46(66)55-35(20-19-28(3)25-29(4)39(71-10)26-34-16-13-12-14-17-34)30(5)42(62)57-37(49(70)72-11)21-22-40(61)60(9)33(8)45(65)54-32(7)44(64)58-38/h12-14,16-17,19-20,25,27,29-32,35-39,41H,8,15,18,21-24,26H2,1-7,9-11H3,(H,54,65)(H,55,66)(H,56,63)(H,57,62)(H,58,64)(H,59,67)(H,68,69)(H4,51,52,53)/b20-19+,28-25+/t29-,30-,31-,32+,35-,36-,37+,38-,39-,41+/m0/s1
+CH$LINK: PUBCHEM CID:101643573
+CH$LINK: INCHIKEY PONFOSATPJORFV-AFQNMZSJSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1051
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 16.038 min
+MS$FOCUSED_ION: BASE_PEAK 505.2894
+MS$FOCUSED_ION: PRECURSOR_M/Z 1009.5717
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0pi0-5900000000-dbba7de399351c3c0f4c
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  56.0495 C3H6N+ 1 56.0495 0.53
+  69.0336 C4H5O+ 1 69.0335 2.01
+  70.0652 C4H8N+ 1 70.0651 0.37
+  77.0387 C6H5+ 1 77.0386 2.24
+  79.0542 C6H7+ 1 79.0542 0.21
+  82.0289 C4H4NO+ 1 82.0287 1.83
+  82.0651 C5H8N+ 1 82.0651 -0.88
+  84.0444 C4H6NO+ 1 84.0444 0.38
+  86.0965 C5H12N+ 1 86.0964 0.75
+  91.0542 C7H7+ 1 91.0542 -0.03
+  93.0699 C7H9+ 1 93.0699 0.34
+  95.0492 C6H7O+ 1 95.0491 0.13
+  95.0606 C5H7N2+ 1 95.0604 2.35
+  98.06 C5H8NO+ 1 98.06 0.02
+  99.0916 C5H11N2+ 1 99.0917 -0.78
+  103.0542 C8H7+ 1 103.0542 -0.13
+  105.0699 C8H9+ 1 105.0699 0.28
+  107.0855 C8H11+ 1 107.0855 0.03
+  109.0651 C7H9O+ 1 109.0648 2.55
+  112.0869 C5H10N3+ 1 112.0869 -0.11
+  113.071 C5H9N2O+ 1 113.0709 0.83
+  114.1025 C5H12N3+ 1 114.1026 -0.69
+  115.0542 C9H7+ 1 115.0542 0.09
+  117.0699 C9H9+ 1 117.0699 0.07
+  119.0856 C9H11+ 1 119.0855 1
+  121.076 C7H9N2+ 1 121.076 -0.11
+  127.039 C6H7O3+ 1 127.039 0.38
+  127.0865 C6H11N2O+ 1 127.0866 -0.49
+  135.0804 C9H11O+ 1 135.0804 -0.49
+  135.1166 C10H15+ 1 135.1168 -1.8
+  138.055 C7H8NO2+ 1 138.055 0.38
+  140.0823 C6H10N3O+ 1 140.0818 3.34
+  142.0498 C6H8NO3+ 1 142.0499 -0.23
+  142.0866 C7H12NO2+ 1 142.0863 2.5
+  167.0813 C8H11N2O2+ 1 167.0815 -0.99
+  209.0916 C10H13N2O3+ 2 209.0921 -2.04
+  227.1019 C10H15N2O4+ 2 227.1026 -3.44
+PK$NUM_PEAK: 37
+PK$PEAK: m/z int. rel.int.
+  56.0495 305203 267
+  69.0336 44153.8 38
+  70.0652 1141794.8 999
+  77.0387 38489.2 33
+  79.0542 190845.5 166
+  82.0289 54071.1 47
+  82.0651 116414.2 101
+  84.0444 351865.6 307
+  86.0965 271568.7 237
+  91.0542 445250.9 389
+  93.0699 365262.6 319
+  95.0492 72607.8 63
+  95.0606 44094.9 38
+  98.06 163604.5 143
+  99.0916 75506.8 66
+  103.0542 1115370.5 975
+  105.0699 745490.1 652
+  107.0855 1023851.4 895
+  109.0651 54124.6 47
+  112.0869 187827.2 164
+  113.071 45136.2 39
+  114.1025 30131.8 26
+  115.0542 108385.6 94
+  117.0699 312561.5 273
+  119.0856 56232.8 49
+  121.076 52462.2 45
+  127.039 44002.7 38
+  127.0865 703763.5 615
+  135.0804 608706.4 532
+  135.1166 217226.6 190
+  138.055 50855.7 44
+  140.0823 48666.4 42
+  142.0498 53079.2 46
+  142.0866 21874.7 19
+  167.0813 243479.6 213
+  209.0916 95278 83
+  227.1019 109661.8 95
+//
diff --git a/Eawag/MSBNK-EAWAG-EC187709.txt b/Eawag/MSBNK-EAWAG-EC187709.txt
new file mode 100644
index 0000000000..7b95560675
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC187709.txt
@@ -0,0 +1,115 @@
+ACCESSION: MSBNK-EAWAG-EC187709
+RECORD_TITLE: [D-MeO-Glu6]MC-LR; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: http://dx.doi.org/10.1016/j.toxicon.2013.03.016
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1877
+CH$NAME: [D-MeO-Glu6]MC-LR
+CH$NAME: [D-Glu(OMe)6]MC-LR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-22-methoxycarbonyl-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11-carboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C50H76N10O12
+CH$EXACT_MASS: 1008.564418
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)OC)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C50H76N10O12/c1-27(2)24-38-47(67)59-41(48(68)69)31(6)43(63)56-36(18-15-23-53-50(51)52)46(66)55-35(20-19-28(3)25-29(4)39(71-10)26-34-16-13-12-14-17-34)30(5)42(62)57-37(49(70)72-11)21-22-40(61)60(9)33(8)45(65)54-32(7)44(64)58-38/h12-14,16-17,19-20,25,27,29-32,35-39,41H,8,15,18,21-24,26H2,1-7,9-11H3,(H,54,65)(H,55,66)(H,56,63)(H,57,62)(H,58,64)(H,59,67)(H,68,69)(H4,51,52,53)/b20-19+,28-25+/t29-,30-,31-,32+,35-,36-,37+,38-,39-,41+/m0/s1
+CH$LINK: PUBCHEM CID:101643573
+CH$LINK: INCHIKEY PONFOSATPJORFV-AFQNMZSJSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1051
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 16.038 min
+MS$FOCUSED_ION: BASE_PEAK 505.2894
+MS$FOCUSED_ION: PRECURSOR_M/Z 1009.5717
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0pi0-7900000000-2b59db0832f7cab8d130
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  55.0542 C4H7+ 1 55.0542 0.05
+  56.0495 C3H6N+ 1 56.0495 0.39
+  60.0558 CH6N3+ 1 60.0556 3.1
+  68.0495 C4H6N+ 1 68.0495 0.29
+  69.0336 C4H5O+ 1 69.0335 2.01
+  70.0652 C4H8N+ 1 70.0651 0.37
+  77.0388 C6H5+ 1 77.0386 2.34
+  79.0542 C6H7+ 1 79.0542 0.11
+  80.0496 C5H6N+ 1 80.0495 2.12
+  82.0651 C5H8N+ 1 82.0651 -0.5
+  84.0445 C4H6NO+ 1 84.0444 0.92
+  86.0965 C5H12N+ 1 86.0964 0.48
+  91.0542 C7H7+ 1 91.0542 0.06
+  93.0699 C7H9+ 1 93.0699 -0.07
+  95.0492 C6H7O+ 1 95.0491 0.22
+  97.0759 C5H9N2+ 1 97.076 -1.73
+  98.06 C5H8NO+ 1 98.06 -0.68
+  99.0918 C5H11N2+ 1 99.0917 1.76
+  103.0542 C8H7+ 1 103.0542 0.09
+  105.0699 C8H9+ 1 105.0699 0.28
+  107.0855 C8H11+ 1 107.0855 0.03
+  109.0647 C7H9O+ 1 109.0648 -1.15
+  110.0602 C6H8NO+ 1 110.06 1.1
+  112.0868 C5H10N3+ 1 112.0869 -1
+  115.0544 C9H7+ 1 115.0542 1.74
+  115.0867 C5H11N2O+ 1 115.0866 0.76
+  117.0699 C9H9+ 1 117.0699 0.39
+  119.0859 C9H11+ 1 119.0855 3.06
+  127.0392 C6H7O3+ 1 127.039 1.94
+  127.0866 C6H11N2O+ 1 127.0866 0.17
+  135.0804 C9H11O+ 1 135.0804 -0.04
+  135.1168 C10H15+ 1 135.1168 -0.33
+  138.0551 C7H8NO2+ 1 138.055 0.71
+  149.0709 C8H9N2O+ 1 149.0709 -0.28
+  167.0814 C8H11N2O2+ 1 167.0815 -0.44
+  209.092 C10H13N2O3+ 1 209.0921 -0.21
+PK$NUM_PEAK: 36
+PK$PEAK: m/z int. rel.int.
+  55.0542 29493.4 19
+  56.0495 418619.5 278
+  60.0558 45630 30
+  68.0495 35996.4 23
+  69.0336 37746.5 25
+  70.0652 1151335.6 766
+  77.0388 72856.3 48
+  79.0542 229435.1 152
+  80.0496 50828.8 33
+  82.0651 139779.2 93
+  84.0445 327607.3 218
+  86.0965 158577.9 105
+  91.0542 610415 406
+  93.0699 281558.8 187
+  95.0492 188366.2 125
+  97.0759 69681.7 46
+  98.06 191805.2 127
+  99.0918 72866.4 48
+  103.0542 1499961.5 999
+  105.0699 778053.2 518
+  107.0855 738307.8 491
+  109.0647 67174.1 44
+  110.0602 39286.5 26
+  112.0868 114229.7 76
+  115.0544 174990 116
+  115.0867 61721.3 41
+  117.0699 247349.7 164
+  119.0859 63095.8 42
+  127.0392 43230.4 28
+  127.0866 459407.8 305
+  135.0804 247868.6 165
+  135.1168 99449.2 66
+  138.0551 20927.9 13
+  149.0709 73514.9 48
+  167.0814 129709.1 86
+  209.092 32505.5 21
+//
diff --git a/Eawag/MSBNK-EAWAG-EC187751.txt b/Eawag/MSBNK-EAWAG-EC187751.txt
new file mode 100644
index 0000000000..c899fe4517
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC187751.txt
@@ -0,0 +1,47 @@
+ACCESSION: MSBNK-EAWAG-EC187751
+RECORD_TITLE: [D-MeO-Glu6]MC-LR; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: http://dx.doi.org/10.1016/j.toxicon.2013.03.016
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1877
+CH$NAME: [D-MeO-Glu6]MC-LR
+CH$NAME: [D-Glu(OMe)6]MC-LR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-22-methoxycarbonyl-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11-carboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C50H76N10O12
+CH$EXACT_MASS: 1008.564418
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)OC)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C50H76N10O12/c1-27(2)24-38-47(67)59-41(48(68)69)31(6)43(63)56-36(18-15-23-53-50(51)52)46(66)55-35(20-19-28(3)25-29(4)39(71-10)26-34-16-13-12-14-17-34)30(5)42(62)57-37(49(70)72-11)21-22-40(61)60(9)33(8)45(65)54-32(7)44(64)58-38/h12-14,16-17,19-20,25,27,29-32,35-39,41H,8,15,18,21-24,26H2,1-7,9-11H3,(H,54,65)(H,55,66)(H,56,63)(H,57,62)(H,58,64)(H,59,67)(H,68,69)(H4,51,52,53)/b20-19+,28-25+/t29-,30-,31-,32+,35-,36-,37+,38-,39-,41+/m0/s1
+CH$LINK: PUBCHEM CID:101643573
+CH$LINK: INCHIKEY PONFOSATPJORFV-AFQNMZSJSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1049
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 16.053 min
+MS$FOCUSED_ION: BASE_PEAK 1007.5577
+MS$FOCUSED_ION: PRECURSOR_M/Z 1007.5571
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0a4i-9000000000-fcd8ff7473b51dd2c1c7
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  989.5458 C50H73N10O11- 1 989.5466 -0.82
+  1007.5567 C50H75N10O12- 1 1007.5571 -0.48
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  989.5458 34922.6 24
+  1007.5567 1428614.9 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC187752.txt b/Eawag/MSBNK-EAWAG-EC187752.txt
new file mode 100644
index 0000000000..357c7064a7
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC187752.txt
@@ -0,0 +1,49 @@
+ACCESSION: MSBNK-EAWAG-EC187752
+RECORD_TITLE: [D-MeO-Glu6]MC-LR; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: http://dx.doi.org/10.1016/j.toxicon.2013.03.016
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1877
+CH$NAME: [D-MeO-Glu6]MC-LR
+CH$NAME: [D-Glu(OMe)6]MC-LR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-22-methoxycarbonyl-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11-carboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C50H76N10O12
+CH$EXACT_MASS: 1008.564418
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)OC)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C50H76N10O12/c1-27(2)24-38-47(67)59-41(48(68)69)31(6)43(63)56-36(18-15-23-53-50(51)52)46(66)55-35(20-19-28(3)25-29(4)39(71-10)26-34-16-13-12-14-17-34)30(5)42(62)57-37(49(70)72-11)21-22-40(61)60(9)33(8)45(65)54-32(7)44(64)58-38/h12-14,16-17,19-20,25,27,29-32,35-39,41H,8,15,18,21-24,26H2,1-7,9-11H3,(H,54,65)(H,55,66)(H,56,63)(H,57,62)(H,58,64)(H,59,67)(H,68,69)(H4,51,52,53)/b20-19+,28-25+/t29-,30-,31-,32+,35-,36-,37+,38-,39-,41+/m0/s1
+CH$LINK: PUBCHEM CID:101643573
+CH$LINK: INCHIKEY PONFOSATPJORFV-AFQNMZSJSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1049
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 16.053 min
+MS$FOCUSED_ION: BASE_PEAK 1007.5577
+MS$FOCUSED_ION: PRECURSOR_M/Z 1007.5571
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0a4i-9010000000-be7a6078c7f15b5b2440
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  283.1772 C13H23N4O3- 3 283.1776 -1.36
+  989.5448 C50H73N10O11- 1 989.5466 -1.81
+  1007.5569 C50H75N10O12- 1 1007.5571 -0.24
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  283.1772 170630.5 123
+  989.5448 146786 106
+  1007.5569 1377812.5 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC187753.txt b/Eawag/MSBNK-EAWAG-EC187753.txt
new file mode 100644
index 0000000000..d21be873c5
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC187753.txt
@@ -0,0 +1,51 @@
+ACCESSION: MSBNK-EAWAG-EC187753
+RECORD_TITLE: [D-MeO-Glu6]MC-LR; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: http://dx.doi.org/10.1016/j.toxicon.2013.03.016
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1877
+CH$NAME: [D-MeO-Glu6]MC-LR
+CH$NAME: [D-Glu(OMe)6]MC-LR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-22-methoxycarbonyl-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11-carboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C50H76N10O12
+CH$EXACT_MASS: 1008.564418
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)OC)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C50H76N10O12/c1-27(2)24-38-47(67)59-41(48(68)69)31(6)43(63)56-36(18-15-23-53-50(51)52)46(66)55-35(20-19-28(3)25-29(4)39(71-10)26-34-16-13-12-14-17-34)30(5)42(62)57-37(49(70)72-11)21-22-40(61)60(9)33(8)45(65)54-32(7)44(64)58-38/h12-14,16-17,19-20,25,27,29-32,35-39,41H,8,15,18,21-24,26H2,1-7,9-11H3,(H,54,65)(H,55,66)(H,56,63)(H,57,62)(H,58,64)(H,59,67)(H,68,69)(H4,51,52,53)/b20-19+,28-25+/t29-,30-,31-,32+,35-,36-,37+,38-,39-,41+/m0/s1
+CH$LINK: PUBCHEM CID:101643573
+CH$LINK: INCHIKEY PONFOSATPJORFV-AFQNMZSJSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1049
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 16.053 min
+MS$FOCUSED_ION: BASE_PEAK 1007.5577
+MS$FOCUSED_ION: PRECURSOR_M/Z 1007.5571
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0a4r-9030004700-ed78368bc09bcf0485ea
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  200.1396 C9H18N3O2- 2 200.1405 -4.31
+  690.3636 C27H50N10O11- 11 690.3666 -4.35
+  788.3978 C39H52N10O8- 8 788.3975 0.38
+  1007.5562 C50H75N10O12- 1 1007.5571 -0.91
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  200.1396 133366 401
+  690.3636 158763.5 478
+  788.3978 292904.4 882
+  1007.5562 331601.3 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC187754.txt b/Eawag/MSBNK-EAWAG-EC187754.txt
new file mode 100644
index 0000000000..97b36f1827
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC187754.txt
@@ -0,0 +1,55 @@
+ACCESSION: MSBNK-EAWAG-EC187754
+RECORD_TITLE: [D-MeO-Glu6]MC-LR; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: http://dx.doi.org/10.1016/j.toxicon.2013.03.016
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1877
+CH$NAME: [D-MeO-Glu6]MC-LR
+CH$NAME: [D-Glu(OMe)6]MC-LR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-22-methoxycarbonyl-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11-carboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C50H76N10O12
+CH$EXACT_MASS: 1008.564418
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)OC)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C50H76N10O12/c1-27(2)24-38-47(67)59-41(48(68)69)31(6)43(63)56-36(18-15-23-53-50(51)52)46(66)55-35(20-19-28(3)25-29(4)39(71-10)26-34-16-13-12-14-17-34)30(5)42(62)57-37(49(70)72-11)21-22-40(61)60(9)33(8)45(65)54-32(7)44(64)58-38/h12-14,16-17,19-20,25,27,29-32,35-39,41H,8,15,18,21-24,26H2,1-7,9-11H3,(H,54,65)(H,55,66)(H,56,63)(H,57,62)(H,58,64)(H,59,67)(H,68,69)(H4,51,52,53)/b20-19+,28-25+/t29-,30-,31-,32+,35-,36-,37+,38-,39-,41+/m0/s1
+CH$LINK: PUBCHEM CID:101643573
+CH$LINK: INCHIKEY PONFOSATPJORFV-AFQNMZSJSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1049
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 16.053 min
+MS$FOCUSED_ION: BASE_PEAK 1007.5577
+MS$FOCUSED_ION: PRECURSOR_M/Z 1007.5571
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-001i-0190000000-e72d608991dd2d33a78f
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  124.0404 C6H6NO2- 1 124.0404 -0.18
+  127.0514 C5H7N2O2- 1 127.0513 0.72
+  200.1396 C9H18N3O2- 2 200.1405 -4.39
+  265.1667 C13H21N4O2- 3 265.167 -1.2
+  283.1771 C13H23N4O3- 3 283.1776 -1.58
+  394.2093 C18H28N5O5- 6 394.2096 -0.85
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  124.0404 123180.6 158
+  127.0514 70189.6 90
+  200.1396 353820.2 456
+  265.1667 202070.3 260
+  283.1771 774092.8 999
+  394.2093 127845.1 164
+//
diff --git a/Eawag/MSBNK-EAWAG-EC187755.txt b/Eawag/MSBNK-EAWAG-EC187755.txt
new file mode 100644
index 0000000000..251d579386
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC187755.txt
@@ -0,0 +1,61 @@
+ACCESSION: MSBNK-EAWAG-EC187755
+RECORD_TITLE: [D-MeO-Glu6]MC-LR; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: http://dx.doi.org/10.1016/j.toxicon.2013.03.016
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1877
+CH$NAME: [D-MeO-Glu6]MC-LR
+CH$NAME: [D-Glu(OMe)6]MC-LR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-22-methoxycarbonyl-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11-carboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C50H76N10O12
+CH$EXACT_MASS: 1008.564418
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)OC)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C50H76N10O12/c1-27(2)24-38-47(67)59-41(48(68)69)31(6)43(63)56-36(18-15-23-53-50(51)52)46(66)55-35(20-19-28(3)25-29(4)39(71-10)26-34-16-13-12-14-17-34)30(5)42(62)57-37(49(70)72-11)21-22-40(61)60(9)33(8)45(65)54-32(7)44(64)58-38/h12-14,16-17,19-20,25,27,29-32,35-39,41H,8,15,18,21-24,26H2,1-7,9-11H3,(H,54,65)(H,55,66)(H,56,63)(H,57,62)(H,58,64)(H,59,67)(H,68,69)(H4,51,52,53)/b20-19+,28-25+/t29-,30-,31-,32+,35-,36-,37+,38-,39-,41+/m0/s1
+CH$LINK: PUBCHEM CID:101643573
+CH$LINK: INCHIKEY PONFOSATPJORFV-AFQNMZSJSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1049
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 16.053 min
+MS$FOCUSED_ION: BASE_PEAK 1007.5577
+MS$FOCUSED_ION: PRECURSOR_M/Z 1007.5571
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0gc0-0490000000-0f0fa57f7bed8402b4d0
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  110.0248 C5H4NO2- 1 110.0248 0.24
+  112.0403 C5H6NO2- 1 112.0404 -1.26
+  124.0402 C6H6NO2- 1 124.0404 -1.6
+  127.0513 C5H7N2O2- 1 127.0513 -0.37
+  129.1035 C6H13N2O- 1 129.1033 1.25
+  153.0663 C7H9N2O2- 2 153.067 -4.54
+  200.1395 C9H18N3O2- 2 200.1405 -4.77
+  265.1663 C13H21N4O2- 3 265.167 -2.7
+  283.1769 C13H23N4O3- 3 283.1776 -2.33
+PK$NUM_PEAK: 9
+PK$PEAK: m/z int. rel.int.
+  110.0248 121749.2 192
+  112.0403 98253.1 155
+  124.0402 166046.7 263
+  127.0513 134270.1 212
+  129.1035 75026.9 118
+  153.0663 120892.3 191
+  200.1395 463335.6 734
+  265.1663 630477.6 999
+  283.1769 448639.8 710
+//
diff --git a/Eawag/MSBNK-EAWAG-EC187756.txt b/Eawag/MSBNK-EAWAG-EC187756.txt
new file mode 100644
index 0000000000..bc5ababe29
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC187756.txt
@@ -0,0 +1,65 @@
+ACCESSION: MSBNK-EAWAG-EC187756
+RECORD_TITLE: [D-MeO-Glu6]MC-LR; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: http://dx.doi.org/10.1016/j.toxicon.2013.03.016
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1877
+CH$NAME: [D-MeO-Glu6]MC-LR
+CH$NAME: [D-Glu(OMe)6]MC-LR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-22-methoxycarbonyl-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11-carboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C50H76N10O12
+CH$EXACT_MASS: 1008.564418
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)OC)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C50H76N10O12/c1-27(2)24-38-47(67)59-41(48(68)69)31(6)43(63)56-36(18-15-23-53-50(51)52)46(66)55-35(20-19-28(3)25-29(4)39(71-10)26-34-16-13-12-14-17-34)30(5)42(62)57-37(49(70)72-11)21-22-40(61)60(9)33(8)45(65)54-32(7)44(64)58-38/h12-14,16-17,19-20,25,27,29-32,35-39,41H,8,15,18,21-24,26H2,1-7,9-11H3,(H,54,65)(H,55,66)(H,56,63)(H,57,62)(H,58,64)(H,59,67)(H,68,69)(H4,51,52,53)/b20-19+,28-25+/t29-,30-,31-,32+,35-,36-,37+,38-,39-,41+/m0/s1
+CH$LINK: PUBCHEM CID:101643573
+CH$LINK: INCHIKEY PONFOSATPJORFV-AFQNMZSJSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1049
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 16.053 min
+MS$FOCUSED_ION: BASE_PEAK 1007.5577
+MS$FOCUSED_ION: PRECURSOR_M/Z 1007.5571
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-014i-1930000000-61c80e5f12bb169472a8
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  82.0297 C4H4NO- 1 82.0298 -1.39
+  99.0563 C4H7N2O- 1 99.0564 -0.57
+  110.0246 C5H4NO2- 1 110.0248 -1.7
+  124.0402 C6H6NO2- 1 124.0404 -1.66
+  127.0511 C5H7N2O2- 1 127.0513 -1.51
+  129.1031 C6H13N2O- 1 129.1033 -1.58
+  153.0664 C7H9N2O2- 1 153.067 -3.74
+  155.0818 C5H9N5O- 1 155.0813 3.65
+  165.1028 C9H13N2O- 1 165.1033 -2.96
+  182.1291 C7H14N6- 2 182.1285 2.91
+  265.1662 C13H21N4O2- 3 265.167 -2.93
+PK$NUM_PEAK: 11
+PK$PEAK: m/z int. rel.int.
+  82.0297 81638.2 204
+  99.0563 86843.5 217
+  110.0246 222430 557
+  124.0402 150301.9 376
+  127.0511 107496.5 269
+  129.1031 157081.2 393
+  153.0664 128681.5 322
+  155.0818 83290.8 208
+  165.1028 158789 398
+  182.1291 180824.9 453
+  265.1662 398387.1 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC187757.txt b/Eawag/MSBNK-EAWAG-EC187757.txt
new file mode 100644
index 0000000000..7a8b765e7d
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC187757.txt
@@ -0,0 +1,67 @@
+ACCESSION: MSBNK-EAWAG-EC187757
+RECORD_TITLE: [D-MeO-Glu6]MC-LR; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: http://dx.doi.org/10.1016/j.toxicon.2013.03.016
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1877
+CH$NAME: [D-MeO-Glu6]MC-LR
+CH$NAME: [D-Glu(OMe)6]MC-LR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-22-methoxycarbonyl-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11-carboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C50H76N10O12
+CH$EXACT_MASS: 1008.564418
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)OC)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C50H76N10O12/c1-27(2)24-38-47(67)59-41(48(68)69)31(6)43(63)56-36(18-15-23-53-50(51)52)46(66)55-35(20-19-28(3)25-29(4)39(71-10)26-34-16-13-12-14-17-34)30(5)42(62)57-37(49(70)72-11)21-22-40(61)60(9)33(8)45(65)54-32(7)44(64)58-38/h12-14,16-17,19-20,25,27,29-32,35-39,41H,8,15,18,21-24,26H2,1-7,9-11H3,(H,54,65)(H,55,66)(H,56,63)(H,57,62)(H,58,64)(H,59,67)(H,68,69)(H4,51,52,53)/b20-19+,28-25+/t29-,30-,31-,32+,35-,36-,37+,38-,39-,41+/m0/s1
+CH$LINK: PUBCHEM CID:101643573
+CH$LINK: INCHIKEY PONFOSATPJORFV-AFQNMZSJSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1049
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 16.053 min
+MS$FOCUSED_ION: BASE_PEAK 1007.5577
+MS$FOCUSED_ION: PRECURSOR_M/Z 1007.5571
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-02ai-1910000000-9bf2b3a48fb35b65f6b4
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  82.0298 C4H4NO- 1 82.0298 -0.83
+  99.0562 C4H7N2O- 1 99.0564 -1.42
+  110.0247 C5H4NO2- 1 110.0248 -0.11
+  124.0403 C6H6NO2- 1 124.0404 -0.55
+  129.1031 C6H13N2O- 1 129.1033 -1.46
+  139.0876 C7H11N2O- 1 139.0877 -0.57
+  153.0666 C7H9N2O2- 1 153.067 -2.45
+  165.1028 C9H13N2O- 2 165.1033 -3.51
+  181.0977 C7H11N5O- 2 181.0969 4.42
+  182.1291 C7H14N6- 2 182.1285 3.16
+  200.1395 C9H18N3O2- 2 200.1405 -4.7
+  265.1666 C13H21N4O2- 3 265.167 -1.43
+PK$NUM_PEAK: 12
+PK$PEAK: m/z int. rel.int.
+  82.0298 126647.5 472
+  99.0562 98035.5 365
+  110.0247 267632.8 999
+  124.0403 106898.7 399
+  129.1031 169367.1 632
+  139.0876 72553.4 270
+  153.0666 65055.4 242
+  165.1028 126219.6 471
+  181.0977 69291.5 258
+  182.1291 252397 942
+  200.1395 115882 432
+  265.1666 94611.7 353
+//
diff --git a/Eawag/MSBNK-EAWAG-EC189401.txt b/Eawag/MSBNK-EAWAG-EC189401.txt
new file mode 100644
index 0000000000..23d4bcbfe7
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC189401.txt
@@ -0,0 +1,73 @@
+ACCESSION: MSBNK-EAWAG-EC189401
+RECORD_TITLE: MC-LA; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 1
+COMMENT: CyanoMetDB_ID 1894
+CH$NAME: MC-LA
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-8-isobutyl-18-((1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl)-1,5,12,15,19-pentamethyl-2-methylene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptaazacyclopentacosane-11,22-dicarboxylic acid
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,15,19-pentamethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C46H67N7O12
+CH$EXACT_MASS: 909.4847706
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](C)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C46H67N7O12/c1-24(2)21-35-44(60)52-38(46(63)64)28(6)40(56)47-29(7)41(57)49-33(18-17-25(3)22-26(4)36(65-11)23-32-15-13-12-14-16-32)27(5)39(55)50-34(45(61)62)19-20-37(54)53(10)31(9)43(59)48-30(8)42(58)51-35/h12-18,22,24,26-30,33-36,38H,9,19-21,23H2,1-8,10-11H3,(H,47,56)(H,48,59)(H,49,57)(H,50,55)(H,51,58)(H,52,60)(H,61,62)(H,63,64)/b18-17+,25-22+/t26-,27-,28-,29-,30+,33-,34+,35-,36-,38+/m0/s1
+CH$LINK: CAS 96180-79-9
+CH$LINK: CHEBI 191135
+CH$LINK: PUBCHEM CID:6437382
+CH$LINK: INCHIKEY DIAQQISRBBDJIM-DRSCAGMXSA-N
+CH$LINK: CHEMSPIDER 4941946
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-950
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.330 min
+MS$FOCUSED_ION: BASE_PEAK 910.4918
+MS$FOCUSED_ION: PRECURSOR_M/Z 910.492
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0r29-0000730903-7abdb72a7cc42326fc09
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  258.1843 C2H30N2O11+ 4 258.1844 -0.48
+  402.2341 C31H30+ 4 402.2342 -0.21
+  446.2281 C23H32N3O6+ 5 446.2286 -1.01
+  468.2442 C20H38NO11+ 5 468.2439 0.5
+  477.2369 C26H31N5O4+ 4 477.2371 -0.24
+  485.2711 C35H35NO+ 7 485.2713 -0.53
+  509.2643 C29H37N2O6+ 5 509.2646 -0.53
+  559.3127 C29H43N4O7+ 7 559.3126 0.08
+  725.4231 C38H57N6O8+ 6 725.4232 -0.18
+  758.4077 C37H56N7O10+ 3 758.4083 -0.86
+  759.392 C37H55N6O11+ 3 759.3923 -0.38
+  776.4185 C37H58N7O11+ 2 776.4189 -0.49
+  893.4656 C46H65N6O12+ 1 893.4655 0.11
+  910.4915 C46H68N7O12+ 1 910.492 -0.59
+PK$NUM_PEAK: 14
+PK$PEAK: m/z int. rel.int.
+  258.1843 218843 81
+  402.2341 1963226.2 727
+  446.2281 388661.2 143
+  468.2442 582968.8 215
+  477.2369 181217.2 67
+  485.2711 999397.4 370
+  509.2643 889492.1 329
+  559.3127 787085.2 291
+  725.4231 288206.6 106
+  758.4077 504636.4 186
+  759.392 1245089 461
+  776.4185 2697048 999
+  893.4656 320277.2 118
+  910.4915 1766613.6 654
+//
diff --git a/Eawag/MSBNK-EAWAG-EC189402.txt b/Eawag/MSBNK-EAWAG-EC189402.txt
new file mode 100644
index 0000000000..918133abc5
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC189402.txt
@@ -0,0 +1,111 @@
+ACCESSION: MSBNK-EAWAG-EC189402
+RECORD_TITLE: MC-LA; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 1
+COMMENT: CyanoMetDB_ID 1894
+CH$NAME: MC-LA
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-8-isobutyl-18-((1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl)-1,5,12,15,19-pentamethyl-2-methylene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptaazacyclopentacosane-11,22-dicarboxylic acid
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,15,19-pentamethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C46H67N7O12
+CH$EXACT_MASS: 909.4847706
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](C)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C46H67N7O12/c1-24(2)21-35-44(60)52-38(46(63)64)28(6)40(56)47-29(7)41(57)49-33(18-17-25(3)22-26(4)36(65-11)23-32-15-13-12-14-16-32)27(5)39(55)50-34(45(61)62)19-20-37(54)53(10)31(9)43(59)48-30(8)42(58)51-35/h12-18,22,24,26-30,33-36,38H,9,19-21,23H2,1-8,10-11H3,(H,47,56)(H,48,59)(H,49,57)(H,50,55)(H,51,58)(H,52,60)(H,61,62)(H,63,64)/b18-17+,25-22+/t26-,27-,28-,29-,30+,33-,34+,35-,36-,38+/m0/s1
+CH$LINK: CAS 96180-79-9
+CH$LINK: CHEBI 191135
+CH$LINK: PUBCHEM CID:6437382
+CH$LINK: INCHIKEY DIAQQISRBBDJIM-DRSCAGMXSA-N
+CH$LINK: CHEMSPIDER 4941946
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-950
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.330 min
+MS$FOCUSED_ION: BASE_PEAK 910.4918
+MS$FOCUSED_ION: PRECURSOR_M/Z 910.492
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0fvi-0246920200-1debff3b603fc007853d
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  86.0963 C5H12N+ 1 86.0964 -1.67
+  107.0854 C8H11+ 1 107.0855 -0.76
+  124.1118 C8H14N+ 1 124.1121 -2.3
+  135.0803 C9H11O+ 1 135.0804 -1.01
+  163.1115 C11H15O+ 1 163.1117 -1.24
+  173.0923 C7H13N2O3+ 1 173.0921 1.07
+  195.0758 C9H11N2O3+ 2 195.0764 -3.31
+  201.0868 C8H13N2O4+ 1 201.087 -0.82
+  213.0865 C7H11N5O3+ 2 213.0856 4.17
+  218.113 C8H16N3O4+ 2 218.1135 -2.45
+  237.1233 C12H17N2O3+ 1 237.1234 -0.12
+  258.1843 C2H30N2O11+ 4 258.1844 -0.6
+  265.1581 C4H27NO11+ 4 265.1579 0.75
+  268.165 C13H22N3O3+ 2 268.1656 -2.18
+  282.1846 C17H22N4+ 4 282.1839 2.57
+  292.1534 C14H20N4O3+ 3 292.153 1.36
+  297.1842 C5H31NO12+ 4 297.1841 0.53
+  314.1706 C14H24N3O5+ 2 314.171 -1.48
+  331.197 C14H27N4O5+ 3 331.1976 -1.82
+  347.1958 C17H25N5O3+ 3 347.1952 1.72
+  375.1908 C20H27N2O5+ 3 375.1914 -1.73
+  385.2074 C16H33O10+ 4 385.2068 1.42
+  397.2073 C17H33O10+ 4 397.2068 1.23
+  402.2341 C31H30+ 4 402.2342 -0.36
+  446.2278 C21H30N6O5+ 5 446.2272 1.31
+  467.261 C21H35N6O6+ 4 467.2613 -0.65
+  468.2442 C20H38NO11+ 5 468.2439 0.5
+  485.2711 C35H35NO+ 6 485.2713 -0.46
+  509.2632 C29H37N2O6+ 4 509.2646 -2.69
+  580.3013 C32H42N3O7+ 6 580.3017 -0.79
+  758.4076 C37H56N7O10+ 3 758.4083 -0.94
+  759.3925 C37H55N6O11+ 3 759.3923 0.18
+  776.4176 C37H58N7O11+ 3 776.4189 -1.67
+PK$NUM_PEAK: 33
+PK$PEAK: m/z int. rel.int.
+  86.0963 98303.3 35
+  107.0854 60456.6 21
+  124.1118 51786.4 18
+  135.0803 362876.7 131
+  163.1115 597413.9 216
+  173.0923 162955.6 59
+  195.0758 242305.9 87
+  201.0868 57251 20
+  213.0865 487538.6 176
+  218.113 698212.2 253
+  237.1233 45911.6 16
+  258.1843 717248.8 260
+  265.1581 235754.1 85
+  268.165 338428 122
+  282.1846 72538.1 26
+  292.1534 119571.3 43
+  297.1842 344369.8 124
+  314.1706 100102.3 36
+  331.197 677708.1 245
+  347.1958 253048.9 91
+  375.1908 2755433.8 999
+  385.2074 429870.8 155
+  397.2073 268035.9 97
+  402.2341 1967483.9 713
+  446.2278 1305037.2 473
+  467.261 277849.4 100
+  468.2442 1486668.9 539
+  485.2711 998599.9 362
+  509.2632 980159.4 355
+  580.3013 583078.4 211
+  758.4076 412813.6 149
+  759.3925 371400.2 134
+  776.4176 791584.3 286
+//
diff --git a/Eawag/MSBNK-EAWAG-EC189403.txt b/Eawag/MSBNK-EAWAG-EC189403.txt
new file mode 100644
index 0000000000..1273535cf1
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC189403.txt
@@ -0,0 +1,125 @@
+ACCESSION: MSBNK-EAWAG-EC189403
+RECORD_TITLE: MC-LA; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 1
+COMMENT: CyanoMetDB_ID 1894
+CH$NAME: MC-LA
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-8-isobutyl-18-((1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl)-1,5,12,15,19-pentamethyl-2-methylene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptaazacyclopentacosane-11,22-dicarboxylic acid
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,15,19-pentamethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C46H67N7O12
+CH$EXACT_MASS: 909.4847706
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](C)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C46H67N7O12/c1-24(2)21-35-44(60)52-38(46(63)64)28(6)40(56)47-29(7)41(57)49-33(18-17-25(3)22-26(4)36(65-11)23-32-15-13-12-14-16-32)27(5)39(55)50-34(45(61)62)19-20-37(54)53(10)31(9)43(59)48-30(8)42(58)51-35/h12-18,22,24,26-30,33-36,38H,9,19-21,23H2,1-8,10-11H3,(H,47,56)(H,48,59)(H,49,57)(H,50,55)(H,51,58)(H,52,60)(H,61,62)(H,63,64)/b18-17+,25-22+/t26-,27-,28-,29-,30+,33-,34+,35-,36-,38+/m0/s1
+CH$LINK: CAS 96180-79-9
+CH$LINK: CHEBI 191135
+CH$LINK: PUBCHEM CID:6437382
+CH$LINK: INCHIKEY DIAQQISRBBDJIM-DRSCAGMXSA-N
+CH$LINK: CHEMSPIDER 4941946
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-950
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.330 min
+MS$FOCUSED_ION: BASE_PEAK 910.4918
+MS$FOCUSED_ION: PRECURSOR_M/Z 910.492
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03xs-0692310000-bcff41576b96e3e8851f
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  56.0496 C3H6N+ 1 56.0495 1.67
+  86.0964 C5H12N+ 1 86.0964 -0.43
+  107.0854 C8H11+ 1 107.0855 -1.55
+  124.1118 C8H14N+ 1 124.1121 -2.55
+  127.0864 C6H11N2O+ 1 127.0866 -1.53
+  135.0802 C9H11O+ 1 135.0804 -1.58
+  135.1163 C10H15+ 1 135.1168 -3.9
+  143.0854 C11H11+ 1 143.0855 -1.14
+  155.0812 C7H11N2O2+ 1 155.0815 -1.75
+  163.1115 C11H15O+ 1 163.1117 -1.34
+  173.092 C7H13N2O3+ 1 173.0921 -0.16
+  175.1115 C12H15O+ 1 175.1117 -1.63
+  195.0762 C9H11N2O3+ 1 195.0764 -1.27
+  201.0866 C8H13N2O4+ 2 201.087 -2.11
+  213.0865 C7H11N5O3+ 2 213.0856 3.96
+  218.113 C8H16N3O4+ 2 218.1135 -2.52
+  218.1524 C12H18N4+ 1 218.1526 -1.07
+  237.1237 C12H17N2O3+ 1 237.1234 1.49
+  237.1635 C18H21+ 3 237.1638 -1.36
+  239.0659 C8H9N5O4+ 2 239.0649 4.14
+  246.1481 H26N2O12+ 3 246.148 0.33
+  258.1844 C2H30N2O11+ 3 258.1844 -0.01
+  265.1576 C4H27NO11+ 4 265.1579 -0.86
+  268.1649 C13H22N3O3+ 2 268.1656 -2.52
+  269.1893 C19H25O+ 4 269.19 -2.55
+  282.1847 C17H22N4+ 4 282.1839 3
+  297.1843 C5H31NO12+ 4 297.1841 0.64
+  310.1032 C13H16N3O6+ 4 310.1034 -0.54
+  314.1702 C12H22N6O4+ 2 314.1697 1.44
+  329.186 C17H23N5O2+ 3 329.1846 4.31
+  331.1972 C14H27N4O5+ 3 331.1976 -1.27
+  351.2017 C16H31O8+ 4 351.2013 0.95
+  385.2074 C16H33O10+ 4 385.2068 1.42
+  397.2076 C18H29N4O6+ 4 397.2082 -1.37
+  402.2338 C31H30+ 4 402.2342 -0.89
+  446.2281 C23H32N3O6+ 5 446.2286 -1.08
+  477.2375 C26H31N5O4+ 5 477.2371 0.91
+  485.27 C33H33N4+ 6 485.27 0.04
+  509.2631 C29H37N2O6+ 5 509.2646 -3.05
+  580.3024 C32H42N3O7+ 6 580.3017 1.1
+PK$NUM_PEAK: 40
+PK$PEAK: m/z int. rel.int.
+  56.0496 76001.8 58
+  86.0964 593511.1 457
+  107.0854 324041.9 249
+  124.1118 173018.1 133
+  127.0864 139220 107
+  135.0802 1231687.6 949
+  135.1163 204808.1 157
+  143.0854 109836.4 84
+  155.0812 454040.3 349
+  163.1115 1266198.6 975
+  173.092 480640 370
+  175.1115 60011.1 46
+  195.0762 282617.5 217
+  201.0866 252228.1 194
+  213.0865 1281529.9 987
+  218.113 1296241.8 999
+  218.1524 176153 135
+  237.1237 208753.1 160
+  237.1635 376358.3 290
+  239.0659 58795 45
+  246.1481 357029.3 275
+  258.1844 767677.6 591
+  265.1576 444290.7 342
+  268.1649 797638.1 614
+  269.1893 82640.2 63
+  282.1847 155281.5 119
+  297.1843 290477.4 223
+  310.1032 39871.3 30
+  314.1702 329999 254
+  329.186 125002 96
+  331.1972 625941.4 482
+  351.2017 70414.8 54
+  385.2074 375643.6 289
+  397.2076 597768.4 460
+  402.2338 780341.6 601
+  446.2281 1270403.4 979
+  477.2375 252680.9 194
+  485.27 262965.9 202
+  509.2631 507121.9 390
+  580.3024 309629.1 238
+//
diff --git a/Eawag/MSBNK-EAWAG-EC189404.txt b/Eawag/MSBNK-EAWAG-EC189404.txt
new file mode 100644
index 0000000000..c81525a652
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC189404.txt
@@ -0,0 +1,137 @@
+ACCESSION: MSBNK-EAWAG-EC189404
+RECORD_TITLE: MC-LA; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 1
+COMMENT: CyanoMetDB_ID 1894
+CH$NAME: MC-LA
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-8-isobutyl-18-((1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl)-1,5,12,15,19-pentamethyl-2-methylene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptaazacyclopentacosane-11,22-dicarboxylic acid
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,15,19-pentamethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C46H67N7O12
+CH$EXACT_MASS: 909.4847706
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](C)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C46H67N7O12/c1-24(2)21-35-44(60)52-38(46(63)64)28(6)40(56)47-29(7)41(57)49-33(18-17-25(3)22-26(4)36(65-11)23-32-15-13-12-14-16-32)27(5)39(55)50-34(45(61)62)19-20-37(54)53(10)31(9)43(59)48-30(8)42(58)51-35/h12-18,22,24,26-30,33-36,38H,9,19-21,23H2,1-8,10-11H3,(H,47,56)(H,48,59)(H,49,57)(H,50,55)(H,51,58)(H,52,60)(H,61,62)(H,63,64)/b18-17+,25-22+/t26-,27-,28-,29-,30+,33-,34+,35-,36-,38+/m0/s1
+CH$LINK: CAS 96180-79-9
+CH$LINK: CHEBI 191135
+CH$LINK: PUBCHEM CID:6437382
+CH$LINK: INCHIKEY DIAQQISRBBDJIM-DRSCAGMXSA-N
+CH$LINK: CHEMSPIDER 4941946
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-950
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.330 min
+MS$FOCUSED_ION: BASE_PEAK 910.4918
+MS$FOCUSED_ION: PRECURSOR_M/Z 910.492
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03g0-1973000000-c1c9c00c7c2a8704abaf
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  56.0496 C3H6N+ 1 56.0495 1.81
+  58.0653 C3H8N+ 1 58.0651 2.49
+  84.0445 C4H6NO+ 1 84.0444 1.69
+  86.0964 C5H12N+ 1 86.0964 -0.87
+  91.0543 C7H7+ 1 91.0542 0.64
+  105.0701 C8H9+ 1 105.0699 1.82
+  107.0854 C8H11+ 1 107.0855 -1.12
+  124.1122 C8H14N+ 1 124.1121 1.2
+  127.0866 C6H11N2O+ 1 127.0866 0.09
+  135.0803 C9H11O+ 1 135.0804 -1.12
+  135.1164 C10H15+ 1 135.1168 -2.88
+  138.0547 C7H8NO2+ 1 138.055 -2.15
+  143.0853 C11H11+ 1 143.0855 -1.78
+  155.0813 C7H11N2O2+ 1 155.0815 -1.26
+  157.1333 C8H17N2O+ 1 157.1335 -1.48
+  161.0957 C11H13O+ 1 161.0961 -2.22
+  162.1277 C11H16N+ 1 162.1277 -0.35
+  163.1115 C11H15O+ 1 163.1117 -1.62
+  167.0817 C8H11N2O2+ 1 167.0815 1.17
+  173.0919 C7H13N2O3+ 1 173.0921 -0.69
+  185.128 C9H17N2O2+ 2 185.1285 -2.64
+  195.0763 C9H11N2O3+ 1 195.0764 -0.49
+  200.1032 C8H14N3O3+ 1 200.103 1.22
+  201.0867 C8H13N2O4+ 1 201.087 -1.5
+  209.1308 CH23NO10+ 1 209.1316 -4.02
+  213.0865 C7H11N5O3+ 2 213.0856 3.82
+  218.1131 C8H16N3O4+ 2 218.1135 -2.17
+  218.1526 C12H18N4+ 1 218.1526 -0.09
+  226.1584 CH26N2O10+ 2 226.1582 0.75
+  237.1236 C12H17N2O3+ 1 237.1234 0.78
+  237.1635 C18H21+ 3 237.1638 -1.29
+  239.066 C8H9N5O4+ 2 239.0649 4.4
+  243.1331 C11H19N2O4+ 2 243.1339 -3.59
+  246.1481 H26N2O12+ 3 246.148 0.14
+  258.1845 C2H30N2O11+ 4 258.1844 0.35
+  265.1578 C4H27NO11+ 4 265.1579 -0.29
+  268.1647 C13H22N3O3+ 2 268.1656 -3.2
+  282.1835 C17H22N4+ 4 282.1839 -1.43
+  292.1534 C14H20N4O3+ 3 292.153 1.47
+  314.1714 C14H24N3O5+ 4 314.171 1.24
+  329.1847 C17H23N5O2+ 4 329.1846 0.23
+  331.1973 C14H27N4O5+ 4 331.1976 -0.81
+  347.1958 C17H25N5O3+ 3 347.1952 1.72
+  375.1909 C20H27N2O5+ 4 375.1914 -1.4
+  397.2075 C17H33O10+ 4 397.2068 1.61
+  446.2277 C21H30N6O5+ 3 446.2272 0.97
+PK$NUM_PEAK: 46
+PK$PEAK: m/z int. rel.int.
+  56.0496 168390.6 73
+  58.0653 65047.5 28
+  84.0445 79287.9 34
+  86.0964 1462593.8 641
+  91.0543 144069.3 63
+  105.0701 90020.4 39
+  107.0854 799012.5 350
+  124.1122 315634 138
+  127.0866 407146.2 178
+  135.0803 2279255 999
+  135.1164 703879.8 308
+  138.0547 176393.5 77
+  143.0853 133671.1 58
+  155.0813 1032202.1 452
+  157.1333 132425.5 58
+  161.0957 142189.3 62
+  162.1277 44283.6 19
+  163.1115 1842964.5 807
+  167.0817 131552.6 57
+  173.0919 797116 349
+  185.128 226855.4 99
+  195.0763 343228.5 150
+  200.1032 80782.4 35
+  201.0867 637255.2 279
+  209.1308 150152.9 65
+  213.0865 2182553.8 956
+  218.1131 1123815.6 492
+  218.1526 254921.9 111
+  226.1584 196064.3 85
+  237.1236 259471.1 113
+  237.1635 517450.5 226
+  239.066 127689.2 55
+  243.1331 178804.4 78
+  246.1481 557483.1 244
+  258.1845 543435.4 238
+  265.1578 436373.6 191
+  268.1647 810064.9 355
+  282.1835 190867.8 83
+  292.1534 249287.5 109
+  314.1714 309190.2 135
+  329.1847 194342.9 85
+  331.1973 390113.2 170
+  347.1958 566123.2 248
+  375.1909 2120371.2 929
+  397.2075 676068.2 296
+  446.2277 611007.3 267
+//
diff --git a/Eawag/MSBNK-EAWAG-EC189405.txt b/Eawag/MSBNK-EAWAG-EC189405.txt
new file mode 100644
index 0000000000..0959ebd0ee
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC189405.txt
@@ -0,0 +1,145 @@
+ACCESSION: MSBNK-EAWAG-EC189405
+RECORD_TITLE: MC-LA; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 1
+COMMENT: CyanoMetDB_ID 1894
+CH$NAME: MC-LA
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-8-isobutyl-18-((1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl)-1,5,12,15,19-pentamethyl-2-methylene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptaazacyclopentacosane-11,22-dicarboxylic acid
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,15,19-pentamethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C46H67N7O12
+CH$EXACT_MASS: 909.4847706
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](C)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C46H67N7O12/c1-24(2)21-35-44(60)52-38(46(63)64)28(6)40(56)47-29(7)41(57)49-33(18-17-25(3)22-26(4)36(65-11)23-32-15-13-12-14-16-32)27(5)39(55)50-34(45(61)62)19-20-37(54)53(10)31(9)43(59)48-30(8)42(58)51-35/h12-18,22,24,26-30,33-36,38H,9,19-21,23H2,1-8,10-11H3,(H,47,56)(H,48,59)(H,49,57)(H,50,55)(H,51,58)(H,52,60)(H,61,62)(H,63,64)/b18-17+,25-22+/t26-,27-,28-,29-,30+,33-,34+,35-,36-,38+/m0/s1
+CH$LINK: CAS 96180-79-9
+CH$LINK: CHEBI 191135
+CH$LINK: PUBCHEM CID:6437382
+CH$LINK: INCHIKEY DIAQQISRBBDJIM-DRSCAGMXSA-N
+CH$LINK: CHEMSPIDER 4941946
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-950
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.330 min
+MS$FOCUSED_ION: BASE_PEAK 910.4918
+MS$FOCUSED_ION: PRECURSOR_M/Z 910.492
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-01p9-1920000000-4663870fba74de912ae3
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  56.0494 C3H6N+ 1 56.0495 -0.5
+  58.0651 C3H8N+ 1 58.0651 -0.33
+  69.0335 C4H5O+ 1 69.0335 -0.31
+  79.0542 C6H7+ 1 79.0542 0.11
+  84.0442 C4H6NO+ 1 84.0444 -1.94
+  86.0964 C5H12N+ 1 86.0964 -0.7
+  89.0709 C3H9N2O+ 1 89.0709 -0.36
+  91.0543 C7H7+ 1 91.0542 0.64
+  93.0697 C7H9+ 1 93.0699 -1.75
+  95.0853 C7H11+ 1 95.0855 -1.97
+  102.0548 C4H8NO2+ 1 102.055 -1.82
+  103.0546 C8H7+ 1 103.0542 3.17
+  105.0699 C8H9+ 1 105.0699 0.3
+  107.0854 C8H11+ 1 107.0855 -0.91
+  117.0698 C9H9+ 1 117.0699 -0.55
+  124.0756 C7H10NO+ 1 124.0757 -0.64
+  124.1119 C8H14N+ 1 124.1121 -1.44
+  127.0864 C6H11N2O+ 1 127.0866 -1.11
+  130.0498 C5H8NO3+ 1 130.0499 -0.23
+  131.0854 C10H11+ 1 131.0855 -1.17
+  133.1011 C10H13+ 1 133.1012 -0.49
+  135.0803 C9H11O+ 1 135.0804 -1.12
+  135.1165 C10H15+ 1 135.1168 -2.09
+  138.0547 C7H8NO2+ 1 138.055 -1.71
+  143.0853 C11H11+ 1 143.0855 -1.46
+  145.1014 C11H13+ 1 145.1012 1.2
+  155.0813 C7H11N2O2+ 1 155.0815 -1.16
+  157.1332 C8H17N2O+ 1 157.1335 -2.16
+  159.1171 C12H15+ 1 159.1168 1.9
+  161.0959 C11H13O+ 1 161.0961 -1.46
+  162.1276 C11H16N+ 1 162.1277 -0.73
+  163.1115 C11H15O+ 1 163.1117 -1.34
+  167.0812 C8H11N2O2+ 1 167.0815 -1.75
+  171.1167 C13H15+ 1 171.1168 -0.97
+  173.092 C7H13N2O3+ 1 173.0921 -0.43
+  195.0764 C9H11N2O3+ 1 195.0764 0.14
+  200.1026 C8H14N3O3+ 1 200.103 -1.6
+  201.0865 C8H13N2O4+ 2 201.087 -2.26
+  213.0865 C7H11N5O3+ 2 213.0856 3.96
+  218.1132 C8H16N3O4+ 2 218.1135 -1.54
+  218.1526 C12H18N4+ 1 218.1526 -0.09
+  223.1079 C11H15N2O3+ 1 223.1077 0.79
+  239.066 C8H9N5O4+ 2 239.0649 4.4
+  243.1333 C11H19N2O4+ 2 243.1339 -2.72
+  246.1483 H26N2O12+ 4 246.148 1.32
+  258.1847 C2H30N2O11+ 4 258.1844 1.17
+  265.1583 C4H27NO11+ 4 265.1579 1.55
+  268.1653 C13H22N3O3+ 2 268.1656 -0.92
+  329.1854 C17H23N5O2+ 4 329.1846 2.27
+  375.1909 C20H27N2O5+ 3 375.1914 -1.57
+PK$NUM_PEAK: 50
+PK$PEAK: m/z int. rel.int.
+  56.0494 291238.5 98
+  58.0651 165310.6 55
+  69.0335 54597.9 18
+  79.0542 39468.9 13
+  84.0442 253932 85
+  86.0964 2073219.2 697
+  89.0709 58815.1 19
+  91.0543 322836.9 108
+  93.0697 103170.1 34
+  95.0853 56218.8 18
+  102.0548 79503.8 26
+  103.0546 137924.6 46
+  105.0699 223799.8 75
+  107.0854 1688457.6 568
+  117.0698 125973.4 42
+  124.0756 61461.7 20
+  124.1119 259109.6 87
+  127.0864 1247348.5 419
+  130.0498 116137.3 39
+  131.0854 147443.4 49
+  133.1011 83958.5 28
+  135.0803 2968169.2 999
+  135.1165 1726762.1 581
+  138.0547 472693.6 159
+  143.0853 163886.5 55
+  145.1014 125252.3 42
+  155.0813 1652553.5 556
+  157.1332 282787.8 95
+  159.1171 53824.5 18
+  161.0959 171815.3 57
+  162.1276 77168.6 25
+  163.1115 1773961.5 597
+  167.0812 270387 91
+  171.1167 78357.4 26
+  173.092 1071234.9 360
+  195.0764 361967.4 121
+  200.1026 61872.8 20
+  201.0865 773520.6 260
+  213.0865 2252849 758
+  218.1132 337815.3 113
+  218.1526 235194 79
+  223.1079 61243 20
+  239.066 218081 73
+  243.1333 212150.8 71
+  246.1483 317367.5 106
+  258.1847 174307 58
+  265.1583 175378 59
+  268.1653 260549.2 87
+  329.1854 85464.5 28
+  375.1909 519362.4 174
+//
diff --git a/Eawag/MSBNK-EAWAG-EC189406.txt b/Eawag/MSBNK-EAWAG-EC189406.txt
new file mode 100644
index 0000000000..b25c6d079c
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC189406.txt
@@ -0,0 +1,125 @@
+ACCESSION: MSBNK-EAWAG-EC189406
+RECORD_TITLE: MC-LA; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 1
+COMMENT: CyanoMetDB_ID 1894
+CH$NAME: MC-LA
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-8-isobutyl-18-((1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl)-1,5,12,15,19-pentamethyl-2-methylene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptaazacyclopentacosane-11,22-dicarboxylic acid
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,15,19-pentamethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C46H67N7O12
+CH$EXACT_MASS: 909.4847706
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](C)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C46H67N7O12/c1-24(2)21-35-44(60)52-38(46(63)64)28(6)40(56)47-29(7)41(57)49-33(18-17-25(3)22-26(4)36(65-11)23-32-15-13-12-14-16-32)27(5)39(55)50-34(45(61)62)19-20-37(54)53(10)31(9)43(59)48-30(8)42(58)51-35/h12-18,22,24,26-30,33-36,38H,9,19-21,23H2,1-8,10-11H3,(H,47,56)(H,48,59)(H,49,57)(H,50,55)(H,51,58)(H,52,60)(H,61,62)(H,63,64)/b18-17+,25-22+/t26-,27-,28-,29-,30+,33-,34+,35-,36-,38+/m0/s1
+CH$LINK: CAS 96180-79-9
+CH$LINK: CHEBI 191135
+CH$LINK: PUBCHEM CID:6437382
+CH$LINK: INCHIKEY DIAQQISRBBDJIM-DRSCAGMXSA-N
+CH$LINK: CHEMSPIDER 4941946
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-950
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.330 min
+MS$FOCUSED_ION: BASE_PEAK 910.4918
+MS$FOCUSED_ION: PRECURSOR_M/Z 910.492
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-052r-2910000000-36f702bde50608107ea9
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  56.0494 C3H6N+ 1 56.0495 -0.5
+  58.0651 C3H8N+ 1 58.0651 -0.33
+  69.0335 C4H5O+ 1 69.0335 -0.31
+  79.0542 C6H7+ 1 79.0542 0.11
+  84.0444 C4H6NO+ 1 84.0444 0.42
+  86.0964 C5H12N+ 1 86.0964 -0.43
+  89.0712 C3H9N2O+ 1 89.0709 2.38
+  91.0542 C7H7+ 1 91.0542 -0.78
+  93.0698 C7H9+ 1 93.0699 -1.18
+  95.0855 C7H11+ 1 95.0855 -0.28
+  99.0915 C5H11N2+ 1 99.0917 -1.51
+  102.055 C4H8NO2+ 1 102.055 0.65
+  103.0541 C8H7+ 1 103.0542 -1.71
+  105.0698 C8H9+ 1 105.0699 -0.43
+  107.0854 C8H11+ 1 107.0855 -0.91
+  110.0602 C6H8NO+ 1 110.06 1.89
+  117.0698 C9H9+ 1 117.0699 -1
+  119.0854 C9H11+ 1 119.0855 -0.99
+  124.0757 C7H10NO+ 1 124.0757 -0.15
+  124.1119 C8H14N+ 1 124.1121 -1.38
+  127.0865 C6H11N2O+ 1 127.0866 -0.93
+  128.0707 C6H10NO2+ 1 128.0706 0.79
+  129.0696 C10H9+ 1 129.0699 -2.23
+  131.0851 C10H11+ 1 131.0855 -2.92
+  135.0803 C9H11O+ 1 135.0804 -0.9
+  135.1166 C10H15+ 1 135.1168 -1.98
+  138.0545 C7H8NO2+ 1 138.055 -3.15
+  145.1012 C11H13+ 1 145.1012 -0.17
+  146.0964 C10H12N+ 1 146.0964 0.07
+  155.0813 C7H11N2O2+ 1 155.0815 -1.26
+  163.1115 C11H15O+ 1 163.1117 -1.24
+  167.0814 C8H11N2O2+ 1 167.0815 -0.56
+  173.092 C7H13N2O3+ 1 173.0921 -0.61
+  181.1005 C14H13+ 1 181.1012 -3.8
+  195.0763 C9H11N2O3+ 1 195.0764 -0.8
+  196.0603 C9H10NO4+ 1 196.0604 -0.7
+  201.0867 C8H13N2O4+ 1 201.087 -1.35
+  213.0865 C7H11N5O3+ 2 213.0856 4.03
+  218.1528 C12H18N4+ 1 218.1526 0.89
+  237.1638 C18H21+ 3 237.1638 -0.01
+PK$NUM_PEAK: 40
+PK$PEAK: m/z int. rel.int.
+  56.0494 454396.5 168
+  58.0651 258957.8 96
+  69.0335 124622.6 46
+  79.0542 125699.9 46
+  84.0444 437017.4 162
+  86.0964 2124590.2 788
+  89.0712 71154.4 26
+  91.0542 451449.9 167
+  93.0698 383007.2 142
+  95.0855 66828.3 24
+  99.0915 114639.4 42
+  102.055 64730.2 24
+  103.0541 348099.2 129
+  105.0698 544721.5 202
+  107.0854 2684895.8 996
+  110.0602 91061.4 33
+  117.0698 255608.9 94
+  119.0854 108678.3 40
+  124.0757 103249.5 38
+  124.1119 234529.8 87
+  127.0865 2388853.2 887
+  128.0707 62894.1 23
+  129.0696 38703.7 14
+  131.0851 198197.4 73
+  135.0803 2690436.8 999
+  135.1166 2008407.2 745
+  138.0545 444748.6 165
+  145.1012 164204.3 60
+  146.0964 79302.6 29
+  155.0813 1415448.6 525
+  163.1115 1079869.4 400
+  167.0814 541880.6 201
+  173.092 815131.4 302
+  181.1005 64444.9 23
+  195.0763 377825 140
+  196.0603 81350.9 30
+  201.0867 288426.5 107
+  213.0865 1547998.6 574
+  218.1528 113894.2 42
+  237.1638 140379.9 52
+//
diff --git a/Eawag/MSBNK-EAWAG-EC189407.txt b/Eawag/MSBNK-EAWAG-EC189407.txt
new file mode 100644
index 0000000000..ea4edc79a9
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC189407.txt
@@ -0,0 +1,145 @@
+ACCESSION: MSBNK-EAWAG-EC189407
+RECORD_TITLE: MC-LA; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 1
+COMMENT: CyanoMetDB_ID 1894
+CH$NAME: MC-LA
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-8-isobutyl-18-((1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl)-1,5,12,15,19-pentamethyl-2-methylene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptaazacyclopentacosane-11,22-dicarboxylic acid
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,15,19-pentamethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C46H67N7O12
+CH$EXACT_MASS: 909.4847706
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](C)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C46H67N7O12/c1-24(2)21-35-44(60)52-38(46(63)64)28(6)40(56)47-29(7)41(57)49-33(18-17-25(3)22-26(4)36(65-11)23-32-15-13-12-14-16-32)27(5)39(55)50-34(45(61)62)19-20-37(54)53(10)31(9)43(59)48-30(8)42(58)51-35/h12-18,22,24,26-30,33-36,38H,9,19-21,23H2,1-8,10-11H3,(H,47,56)(H,48,59)(H,49,57)(H,50,55)(H,51,58)(H,52,60)(H,61,62)(H,63,64)/b18-17+,25-22+/t26-,27-,28-,29-,30+,33-,34+,35-,36-,38+/m0/s1
+CH$LINK: CAS 96180-79-9
+CH$LINK: CHEBI 191135
+CH$LINK: PUBCHEM CID:6437382
+CH$LINK: INCHIKEY DIAQQISRBBDJIM-DRSCAGMXSA-N
+CH$LINK: CHEMSPIDER 4941946
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-950
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.330 min
+MS$FOCUSED_ION: BASE_PEAK 910.4918
+MS$FOCUSED_ION: PRECURSOR_M/Z 910.492
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0550-2900000000-235136a317a71b855aa7
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  56.0494 C3H6N+ 1 56.0495 -0.91
+  58.065 C3H8N+ 1 58.0651 -1.38
+  69.0335 C4H5O+ 1 69.0335 0.13
+  79.0541 C6H7+ 1 79.0542 -1.24
+  82.0288 C4H4NO+ 1 82.0287 0.75
+  82.0652 C5H8N+ 1 82.0651 0.56
+  84.0442 C4H6NO+ 1 84.0444 -1.76
+  86.0963 C5H12N+ 1 86.0964 -1.14
+  89.0709 C3H9N2O+ 1 89.0709 -0.11
+  91.0541 C7H7+ 1 91.0542 -1.37
+  93.0698 C7H9+ 1 93.0699 -0.6
+  95.049 C6H7O+ 1 95.0491 -1.08
+  95.0854 C7H11+ 1 95.0855 -1.65
+  99.0916 C5H11N2+ 1 99.0917 -1.13
+  102.0549 C4H8NO2+ 1 102.055 -0.92
+  103.0541 C8H7+ 1 103.0542 -1.49
+  105.0697 C8H9+ 1 105.0699 -1.23
+  107.0854 C8H11+ 1 107.0855 -1.4
+  110.0599 C6H8NO+ 1 110.06 -1.5
+  113.0232 C5H5O3+ 1 113.0233 -0.82
+  117.0697 C9H9+ 1 117.0699 -1.66
+  119.0854 C9H11+ 1 119.0855 -1.37
+  121.101 C9H13+ 1 121.1012 -1.6
+  124.0753 C7H10NO+ 1 124.0757 -2.85
+  124.1118 C8H14N+ 1 124.1121 -2.55
+  127.0864 C6H11N2O+ 1 127.0866 -1.59
+  129.0695 C10H9+ 1 129.0699 -2.94
+  130.0498 C5H8NO3+ 1 130.0499 -0.82
+  131.0854 C10H11+ 1 131.0855 -0.94
+  133.1012 C10H13+ 1 133.1012 0.54
+  135.0802 C9H11O+ 1 135.0804 -1.58
+  135.1165 C10H15+ 1 135.1168 -2.77
+  138.0546 C7H8NO2+ 1 138.055 -2.37
+  145.1013 C11H13+ 1 145.1012 0.67
+  146.0966 C10H12N+ 1 146.0964 1.01
+  149.0708 C8H9N2O+ 1 149.0709 -0.94
+  155.0813 C7H11N2O2+ 1 155.0815 -1.36
+  156.0654 C7H10NO3+ 1 156.0655 -0.92
+  157.1332 C8H17N2O+ 1 157.1335 -2.45
+  159.117 C12H15+ 1 159.1168 1.23
+  161.096 C11H13O+ 1 161.0961 -0.7
+  162.1276 C11H16N+ 1 162.1277 -0.63
+  163.1113 C11H15O+ 1 163.1117 -2.83
+  167.0813 C8H11N2O2+ 1 167.0815 -1.29
+  173.092 C7H13N2O3+ 1 173.0921 -0.61
+  181.1335 C10H17N2O+ 1 181.1335 0
+  195.0759 C9H11N2O3+ 2 195.0764 -2.84
+  201.0866 C8H13N2O4+ 2 201.087 -1.73
+  213.0863 C7H11N5O3+ 2 213.0856 3.1
+  218.1528 C12H18N4+ 1 218.1526 0.96
+PK$NUM_PEAK: 50
+PK$PEAK: m/z int. rel.int.
+  56.0494 764930.6 214
+  58.065 318597.5 89
+  69.0335 197307.7 55
+  79.0541 328062.9 91
+  82.0288 35755.3 10
+  82.0652 243653.7 68
+  84.0442 546830.1 153
+  86.0963 1682422.1 471
+  89.0709 80308.6 22
+  91.0541 789880.1 221
+  93.0698 692280.3 194
+  95.049 60454.5 16
+  95.0854 79413.7 22
+  99.0916 273257.4 76
+  102.0549 86261.4 24
+  103.0541 959359.1 268
+  105.0697 972016.2 272
+  107.0854 3564183 999
+  110.0599 208322.5 58
+  113.0232 70613.1 19
+  117.0697 459936.5 128
+  119.0854 161612.4 45
+  121.101 86263.1 24
+  124.0753 96155.8 26
+  124.1118 135470.6 37
+  127.0864 3009842.8 843
+  129.0695 82003.3 22
+  130.0498 109801.6 30
+  131.0854 247096.3 69
+  133.1012 131898.5 36
+  135.0802 2157675 604
+  135.1165 1615149.4 452
+  138.0546 390297.2 109
+  145.1013 173790 48
+  146.0966 119597.6 33
+  149.0708 145017.2 40
+  155.0813 852734.5 239
+  156.0654 126780 35
+  157.1332 60311 16
+  159.117 49176.6 13
+  161.096 72476.9 20
+  162.1276 72082.5 20
+  163.1113 573216.8 160
+  167.0813 772500.1 216
+  173.092 429064.1 120
+  181.1335 71581.2 20
+  195.0759 309392.5 86
+  201.0866 68423.8 19
+  213.0863 806930.9 226
+  218.1528 71016.2 19
+//
diff --git a/Eawag/MSBNK-EAWAG-EC189408.txt b/Eawag/MSBNK-EAWAG-EC189408.txt
new file mode 100644
index 0000000000..097650aa14
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC189408.txt
@@ -0,0 +1,149 @@
+ACCESSION: MSBNK-EAWAG-EC189408
+RECORD_TITLE: MC-LA; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 1
+COMMENT: CyanoMetDB_ID 1894
+CH$NAME: MC-LA
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-8-isobutyl-18-((1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl)-1,5,12,15,19-pentamethyl-2-methylene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptaazacyclopentacosane-11,22-dicarboxylic acid
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,15,19-pentamethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C46H67N7O12
+CH$EXACT_MASS: 909.4847706
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](C)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C46H67N7O12/c1-24(2)21-35-44(60)52-38(46(63)64)28(6)40(56)47-29(7)41(57)49-33(18-17-25(3)22-26(4)36(65-11)23-32-15-13-12-14-16-32)27(5)39(55)50-34(45(61)62)19-20-37(54)53(10)31(9)43(59)48-30(8)42(58)51-35/h12-18,22,24,26-30,33-36,38H,9,19-21,23H2,1-8,10-11H3,(H,47,56)(H,48,59)(H,49,57)(H,50,55)(H,51,58)(H,52,60)(H,61,62)(H,63,64)/b18-17+,25-22+/t26-,27-,28-,29-,30+,33-,34+,35-,36-,38+/m0/s1
+CH$LINK: CAS 96180-79-9
+CH$LINK: CHEBI 191135
+CH$LINK: PUBCHEM CID:6437382
+CH$LINK: INCHIKEY DIAQQISRBBDJIM-DRSCAGMXSA-N
+CH$LINK: CHEMSPIDER 4941946
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-950
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.330 min
+MS$FOCUSED_ION: BASE_PEAK 910.4918
+MS$FOCUSED_ION: PRECURSOR_M/Z 910.492
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0a4r-4900000000-84594c7ac8cd6dfe3ea4
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  55.0178 C3H3O+ 1 55.0178 -0.22
+  55.0542 C4H7+ 1 55.0542 -0.85
+  56.0494 C3H6N+ 1 56.0495 -1.18
+  58.0651 C3H8N+ 1 58.0651 -1.05
+  69.0334 C4H5O+ 1 69.0335 -0.86
+  69.0697 C5H9+ 1 69.0699 -2.09
+  74.0236 C2H4NO2+ 1 74.0237 -0.6
+  79.0542 C6H7+ 1 79.0542 -0.47
+  80.0495 C5H6N+ 1 80.0495 0.31
+  82.0651 C5H8N+ 1 82.0651 -0.47
+  84.0443 C4H6NO+ 1 84.0444 -0.94
+  84.0806 C5H10N+ 1 84.0808 -2.67
+  85.0284 C4H5O2+ 1 85.0284 0.47
+  86.0963 C5H12N+ 1 86.0964 -0.96
+  91.0541 C7H7+ 1 91.0542 -1.2
+  93.0698 C7H9+ 1 93.0699 -0.93
+  94.0649 C6H8N+ 1 94.0651 -2.07
+  95.0489 C6H7O+ 1 95.0491 -2.2
+  95.0854 C7H11+ 1 95.0855 -1.41
+  99.0915 C5H11N2+ 1 99.0917 -1.51
+  102.0549 C4H8NO2+ 1 102.055 -0.4
+  103.0541 C8H7+ 1 103.0542 -1.34
+  105.0697 C8H9+ 1 105.0699 -1.45
+  107.0854 C8H11+ 1 107.0855 -1.19
+  110.0599 C6H8NO+ 1 110.06 -0.88
+  113.0231 C5H5O3+ 1 113.0233 -1.9
+  115.0541 C9H7+ 1 115.0542 -1.02
+  117.0696 C9H9+ 1 117.0699 -2.18
+  119.0604 C7H7N2+ 1 119.0604 0.34
+  119.0854 C9H11+ 1 119.0855 -0.86
+  120.093 C9H12+ 1 120.0934 -3.27
+  121.0757 C7H9N2+ 1 121.076 -3
+  121.1009 C9H13+ 1 121.1012 -1.98
+  124.0758 C7H10NO+ 1 124.0757 0.65
+  127.0864 C6H11N2O+ 1 127.0866 -1.47
+  129.0697 C10H9+ 1 129.0699 -1.05
+  130.0498 C5H8NO3+ 1 130.0499 -0.82
+  131.0851 C10H11+ 1 131.0855 -2.92
+  133.1012 C10H13+ 1 133.1012 -0.04
+  135.0802 C9H11O+ 1 135.0804 -1.58
+  135.1165 C10H15+ 1 135.1168 -2.54
+  138.0544 C7H8NO2+ 1 138.055 -3.7
+  143.0857 C11H11+ 1 143.0855 0.99
+  146.0962 C10H12N+ 1 146.0964 -1.81
+  149.071 C8H9N2O+ 1 149.0709 0.4
+  155.0813 C7H11N2O2+ 1 155.0815 -1.26
+  156.0651 C7H10NO3+ 1 156.0655 -2.87
+  163.1117 C11H15O+ 1 163.1117 -0.4
+  167.0811 C8H11N2O2+ 1 167.0815 -2.3
+  181.1006 C14H13+ 1 181.1012 -3.21
+  195.0759 C9H11N2O3+ 2 195.0764 -2.68
+  213.0863 C7H11N5O3+ 2 213.0856 3.1
+PK$NUM_PEAK: 52
+PK$PEAK: m/z int. rel.int.
+  55.0178 86170.5 25
+  55.0542 104061.3 30
+  56.0494 1355124.9 398
+  58.0651 268732.2 79
+  69.0334 228456.5 67
+  69.0697 68415.3 20
+  74.0236 65251.3 19
+  79.0542 487428.8 143
+  80.0495 39334.9 11
+  82.0651 348334.6 102
+  84.0443 629998.8 185
+  84.0806 70726.9 20
+  85.0284 35245.3 10
+  86.0963 1389391.9 408
+  91.0541 1206805.4 355
+  93.0698 892503.6 262
+  94.0649 76631.2 22
+  95.0489 117647.1 34
+  95.0854 89372.8 26
+  99.0915 345575.1 101
+  102.0549 75932.3 22
+  103.0541 1704703.6 501
+  105.0697 1399583.6 411
+  107.0854 3394004.5 999
+  110.0599 243201.7 71
+  113.0231 136045.1 40
+  115.0541 157473.6 46
+  117.0696 497608.8 146
+  119.0604 54658.7 16
+  119.0854 206146.1 60
+  120.093 36401.6 10
+  121.0757 88716.1 26
+  121.1009 55578.6 16
+  124.0758 85684.3 25
+  127.0864 2747596.5 808
+  129.0697 85568.6 25
+  130.0498 94037.5 27
+  131.0851 203996.7 60
+  133.1012 110086.3 32
+  135.0802 1332918.6 392
+  135.1165 975108 287
+  138.0544 196863.2 57
+  143.0857 49882.5 14
+  146.0962 116212.5 34
+  149.071 182248.2 53
+  155.0813 301738.4 88
+  156.0651 78082.4 22
+  163.1117 238700.8 70
+  167.0811 709275.6 208
+  181.1006 56837.3 16
+  195.0759 192129.7 56
+  213.0863 308506.9 90
+//
diff --git a/Eawag/MSBNK-EAWAG-EC189409.txt b/Eawag/MSBNK-EAWAG-EC189409.txt
new file mode 100644
index 0000000000..6057976b03
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC189409.txt
@@ -0,0 +1,149 @@
+ACCESSION: MSBNK-EAWAG-EC189409
+RECORD_TITLE: MC-LA; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 1
+COMMENT: CyanoMetDB_ID 1894
+CH$NAME: MC-LA
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-8-isobutyl-18-((1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl)-1,5,12,15,19-pentamethyl-2-methylene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptaazacyclopentacosane-11,22-dicarboxylic acid
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,15,19-pentamethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C46H67N7O12
+CH$EXACT_MASS: 909.4847706
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](C)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C46H67N7O12/c1-24(2)21-35-44(60)52-38(46(63)64)28(6)40(56)47-29(7)41(57)49-33(18-17-25(3)22-26(4)36(65-11)23-32-15-13-12-14-16-32)27(5)39(55)50-34(45(61)62)19-20-37(54)53(10)31(9)43(59)48-30(8)42(58)51-35/h12-18,22,24,26-30,33-36,38H,9,19-21,23H2,1-8,10-11H3,(H,47,56)(H,48,59)(H,49,57)(H,50,55)(H,51,58)(H,52,60)(H,61,62)(H,63,64)/b18-17+,25-22+/t26-,27-,28-,29-,30+,33-,34+,35-,36-,38+/m0/s1
+CH$LINK: CAS 96180-79-9
+CH$LINK: CHEBI 191135
+CH$LINK: PUBCHEM CID:6437382
+CH$LINK: INCHIKEY DIAQQISRBBDJIM-DRSCAGMXSA-N
+CH$LINK: CHEMSPIDER 4941946
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-950
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.330 min
+MS$FOCUSED_ION: BASE_PEAK 910.4918
+MS$FOCUSED_ION: PRECURSOR_M/Z 910.492
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0a4i-5900000000-f52477f152111152afb5
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  55.0178 C3H3O+ 1 55.0178 -0.01
+  55.0541 C4H7+ 1 55.0542 -2.24
+  56.0494 C3H6N+ 1 56.0495 -0.78
+  58.0651 C3H8N+ 1 58.0651 -0.33
+  67.0541 C5H7+ 1 67.0542 -2.47
+  69.0334 C4H5O+ 1 69.0335 -0.86
+  69.0698 C5H9+ 1 69.0699 -0.99
+  70.065 C4H8N+ 1 70.0651 -1.72
+  74.0235 C2H4NO2+ 1 74.0237 -2.25
+  79.0542 C6H7+ 1 79.0542 -0.76
+  80.0493 C5H6N+ 1 80.0495 -1.78
+  81.0697 C6H9+ 1 81.0699 -1.72
+  82.0286 C4H4NO+ 1 82.0287 -2.13
+  82.065 C5H8N+ 1 82.0651 -0.93
+  84.0444 C4H6NO+ 1 84.0444 -0.4
+  86.0964 C5H12N+ 1 86.0964 -0.78
+  91.0541 C7H7+ 1 91.0542 -1.12
+  93.0698 C7H9+ 1 93.0699 -0.85
+  94.0652 C6H8N+ 1 94.0651 0.44
+  95.0492 C6H7O+ 1 95.0491 0.77
+  99.0916 C5H11N2+ 1 99.0917 -1.05
+  102.0549 C4H8NO2+ 1 102.055 -0.25
+  103.0541 C8H7+ 1 103.0542 -1.12
+  105.0698 C8H9+ 1 105.0699 -1.08
+  107.0854 C8H11+ 1 107.0855 -0.98
+  109.0647 C7H9O+ 1 109.0648 -0.86
+  110.06 C6H8NO+ 1 110.06 -0.74
+  113.0231 C5H5O3+ 1 113.0233 -1.9
+  115.0541 C9H7+ 1 115.0542 -0.69
+  117.0698 C9H9+ 1 117.0699 -0.48
+  119.0605 C7H7N2+ 1 119.0604 0.98
+  119.0854 C9H11+ 1 119.0855 -1.31
+  120.057 C8H8O+ 1 120.057 0.43
+  120.081 C8H10N+ 1 120.0808 1.71
+  120.093 C9H12+ 1 120.0934 -2.57
+  121.0758 C7H9N2+ 1 121.076 -2.18
+  124.0755 C7H10NO+ 1 124.0757 -1.5
+  127.0865 C6H11N2O+ 1 127.0866 -0.99
+  130.0499 C5H8NO3+ 1 130.0499 0.36
+  131.0853 C10H11+ 1 131.0855 -1.64
+  133.101 C10H13+ 1 133.1012 -1.3
+  135.0803 C9H11O+ 1 135.0804 -1.35
+  135.1165 C10H15+ 1 135.1168 -2.77
+  138.0551 C7H8NO2+ 1 138.055 1.38
+  143.0856 C11H11+ 1 143.0855 0.24
+  145.1012 C11H13+ 1 145.1012 -0.17
+  146.0963 C10H12N+ 1 146.0964 -1.08
+  155.0816 C7H11N2O2+ 1 155.0815 0.31
+  163.1117 C11H15O+ 1 163.1117 -0.21
+  167.0814 C8H11N2O2+ 1 167.0815 -0.65
+  195.0764 C9H11N2O3+ 1 195.0764 -0.18
+  213.0864 C7H11N5O3+ 2 213.0856 3.53
+PK$NUM_PEAK: 52
+PK$PEAK: m/z int. rel.int.
+  55.0178 159065.8 53
+  55.0541 106499 35
+  56.0494 1874671.5 625
+  58.0651 246917.4 82
+  67.0541 68566.1 22
+  69.0334 204206.3 68
+  69.0698 41192.2 13
+  70.065 44165.9 14
+  74.0235 115072.8 38
+  79.0542 704010.3 235
+  80.0493 90153 30
+  81.0697 60152.7 20
+  82.0286 87330.1 29
+  82.065 480595.3 160
+  84.0444 716980.6 239
+  86.0964 1028635.1 343
+  91.0541 1760125.6 587
+  93.0698 783294.8 261
+  94.0652 123562.8 41
+  95.0492 250517.4 83
+  99.0916 387772.1 129
+  102.0549 57950.2 19
+  103.0541 2813107.8 939
+  105.0698 1697881.8 566
+  107.0854 2992077 999
+  109.0647 201010.7 67
+  110.06 213501.5 71
+  113.0231 187935.4 62
+  115.0541 294300.9 98
+  117.0698 510365.2 170
+  119.0605 81171.7 27
+  119.0854 219806.2 73
+  120.057 71038 23
+  120.081 68551.5 22
+  120.093 44197.9 14
+  121.0758 151944.9 50
+  124.0755 57163.5 19
+  127.0865 2247301 750
+  130.0499 68816.9 22
+  131.0853 222596 74
+  133.101 83574.7 27
+  135.0803 693540.8 231
+  135.1165 449963.1 150
+  138.0551 134119 44
+  143.0856 58185.3 19
+  145.1012 93440.4 31
+  146.0963 70508 23
+  155.0816 99256.1 33
+  163.1117 89281.2 29
+  167.0814 524237.8 175
+  195.0764 83580.7 27
+  213.0864 63273.8 21
+//
diff --git a/Eawag/MSBNK-EAWAG-EC189451.txt b/Eawag/MSBNK-EAWAG-EC189451.txt
new file mode 100644
index 0000000000..742d8013bd
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC189451.txt
@@ -0,0 +1,49 @@
+ACCESSION: MSBNK-EAWAG-EC189451
+RECORD_TITLE: MC-LA; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 1
+COMMENT: CyanoMetDB_ID 1894
+CH$NAME: MC-LA
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-8-isobutyl-18-((1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl)-1,5,12,15,19-pentamethyl-2-methylene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptaazacyclopentacosane-11,22-dicarboxylic acid
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,15,19-pentamethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C46H67N7O12
+CH$EXACT_MASS: 909.4847706
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](C)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C46H67N7O12/c1-24(2)21-35-44(60)52-38(46(63)64)28(6)40(56)47-29(7)41(57)49-33(18-17-25(3)22-26(4)36(65-11)23-32-15-13-12-14-16-32)27(5)39(55)50-34(45(61)62)19-20-37(54)53(10)31(9)43(59)48-30(8)42(58)51-35/h12-18,22,24,26-30,33-36,38H,9,19-21,23H2,1-8,10-11H3,(H,47,56)(H,48,59)(H,49,57)(H,50,55)(H,51,58)(H,52,60)(H,61,62)(H,63,64)/b18-17+,25-22+/t26-,27-,28-,29-,30+,33-,34+,35-,36-,38+/m0/s1
+CH$LINK: CAS 96180-79-9
+CH$LINK: CHEBI 191135
+CH$LINK: PUBCHEM CID:6437382
+CH$LINK: INCHIKEY DIAQQISRBBDJIM-DRSCAGMXSA-N
+CH$LINK: CHEMSPIDER 4941946
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-948
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.317 min
+MS$FOCUSED_ION: BASE_PEAK 908.4778
+MS$FOCUSED_ION: PRECURSOR_M/Z 908.4775
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0a4i-0000000009-2736f1be42ee584705a3
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  890.4651 C46H64N7O11- 1 890.4669 -2.1
+  908.4769 C46H66N7O12- 1 908.4775 -0.62
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  890.4651 277591.3 15
+  908.4769 17720008 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC189452.txt b/Eawag/MSBNK-EAWAG-EC189452.txt
new file mode 100644
index 0000000000..4d1ca2e80e
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC189452.txt
@@ -0,0 +1,49 @@
+ACCESSION: MSBNK-EAWAG-EC189452
+RECORD_TITLE: MC-LA; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 1
+COMMENT: CyanoMetDB_ID 1894
+CH$NAME: MC-LA
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-8-isobutyl-18-((1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl)-1,5,12,15,19-pentamethyl-2-methylene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptaazacyclopentacosane-11,22-dicarboxylic acid
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,15,19-pentamethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C46H67N7O12
+CH$EXACT_MASS: 909.4847706
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](C)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C46H67N7O12/c1-24(2)21-35-44(60)52-38(46(63)64)28(6)40(56)47-29(7)41(57)49-33(18-17-25(3)22-26(4)36(65-11)23-32-15-13-12-14-16-32)27(5)39(55)50-34(45(61)62)19-20-37(54)53(10)31(9)43(59)48-30(8)42(58)51-35/h12-18,22,24,26-30,33-36,38H,9,19-21,23H2,1-8,10-11H3,(H,47,56)(H,48,59)(H,49,57)(H,50,55)(H,51,58)(H,52,60)(H,61,62)(H,63,64)/b18-17+,25-22+/t26-,27-,28-,29-,30+,33-,34+,35-,36-,38+/m0/s1
+CH$LINK: CAS 96180-79-9
+CH$LINK: CHEBI 191135
+CH$LINK: PUBCHEM CID:6437382
+CH$LINK: INCHIKEY DIAQQISRBBDJIM-DRSCAGMXSA-N
+CH$LINK: CHEMSPIDER 4941946
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-948
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.317 min
+MS$FOCUSED_ION: BASE_PEAK 908.4778
+MS$FOCUSED_ION: PRECURSOR_M/Z 908.4775
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0a4i-0000000019-c7723bf2b76919f36e57
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  890.4657 C46H64N7O11- 1 890.4669 -1.35
+  908.4768 C46H66N7O12- 1 908.4775 -0.75
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  890.4657 1896325.9 161
+  908.4768 11696949 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC189453.txt b/Eawag/MSBNK-EAWAG-EC189453.txt
new file mode 100644
index 0000000000..0b74528687
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC189453.txt
@@ -0,0 +1,57 @@
+ACCESSION: MSBNK-EAWAG-EC189453
+RECORD_TITLE: MC-LA; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 1
+COMMENT: CyanoMetDB_ID 1894
+CH$NAME: MC-LA
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-8-isobutyl-18-((1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl)-1,5,12,15,19-pentamethyl-2-methylene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptaazacyclopentacosane-11,22-dicarboxylic acid
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,15,19-pentamethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C46H67N7O12
+CH$EXACT_MASS: 909.4847706
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](C)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C46H67N7O12/c1-24(2)21-35-44(60)52-38(46(63)64)28(6)40(56)47-29(7)41(57)49-33(18-17-25(3)22-26(4)36(65-11)23-32-15-13-12-14-16-32)27(5)39(55)50-34(45(61)62)19-20-37(54)53(10)31(9)43(59)48-30(8)42(58)51-35/h12-18,22,24,26-30,33-36,38H,9,19-21,23H2,1-8,10-11H3,(H,47,56)(H,48,59)(H,49,57)(H,50,55)(H,51,58)(H,52,60)(H,61,62)(H,63,64)/b18-17+,25-22+/t26-,27-,28-,29-,30+,33-,34+,35-,36-,38+/m0/s1
+CH$LINK: CAS 96180-79-9
+CH$LINK: CHEBI 191135
+CH$LINK: PUBCHEM CID:6437382
+CH$LINK: INCHIKEY DIAQQISRBBDJIM-DRSCAGMXSA-N
+CH$LINK: CHEMSPIDER 4941946
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-948
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.317 min
+MS$FOCUSED_ION: BASE_PEAK 908.4778
+MS$FOCUSED_ION: PRECURSOR_M/Z 908.4775
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0a4l-0000000089-b894d0e497b4c182b46a
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  128.035 C5H6NO3- 1 128.0353 -2.14
+  283.1763 C12H27O7- 4 283.1762 0.22
+  495.2486 C26H33N5O5- 4 495.2487 -0.28
+  796.4613 C41H62N7O9- 4 796.4615 -0.22
+  890.466 C46H64N7O11- 1 890.4669 -1
+  908.4769 C46H66N7O12- 1 908.4775 -0.68
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  128.035 181009.9 40
+  283.1763 114259.5 25
+  495.2486 69765.5 15
+  796.4613 125397.4 28
+  890.466 4291111 966
+  908.4769 4435607 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC189454.txt b/Eawag/MSBNK-EAWAG-EC189454.txt
new file mode 100644
index 0000000000..12622c2730
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC189454.txt
@@ -0,0 +1,75 @@
+ACCESSION: MSBNK-EAWAG-EC189454
+RECORD_TITLE: MC-LA; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 1
+COMMENT: CyanoMetDB_ID 1894
+CH$NAME: MC-LA
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-8-isobutyl-18-((1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl)-1,5,12,15,19-pentamethyl-2-methylene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptaazacyclopentacosane-11,22-dicarboxylic acid
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,15,19-pentamethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C46H67N7O12
+CH$EXACT_MASS: 909.4847706
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](C)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C46H67N7O12/c1-24(2)21-35-44(60)52-38(46(63)64)28(6)40(56)47-29(7)41(57)49-33(18-17-25(3)22-26(4)36(65-11)23-32-15-13-12-14-16-32)27(5)39(55)50-34(45(61)62)19-20-37(54)53(10)31(9)43(59)48-30(8)42(58)51-35/h12-18,22,24,26-30,33-36,38H,9,19-21,23H2,1-8,10-11H3,(H,47,56)(H,48,59)(H,49,57)(H,50,55)(H,51,58)(H,52,60)(H,61,62)(H,63,64)/b18-17+,25-22+/t26-,27-,28-,29-,30+,33-,34+,35-,36-,38+/m0/s1
+CH$LINK: CAS 96180-79-9
+CH$LINK: CHEBI 191135
+CH$LINK: PUBCHEM CID:6437382
+CH$LINK: INCHIKEY DIAQQISRBBDJIM-DRSCAGMXSA-N
+CH$LINK: CHEMSPIDER 4941946
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-948
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.317 min
+MS$FOCUSED_ION: BASE_PEAK 908.4778
+MS$FOCUSED_ION: PRECURSOR_M/Z 908.4775
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0006-0420000091-a60df9a9a609a84bb686
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  124.0403 C6H6NO2- 1 124.0404 -0.76
+  128.0351 C5H6NO3- 1 128.0353 -2.03
+  153.0663 C7H9N2O2- 2 153.067 -4.01
+  181.0615 C8H9N2O3- 1 181.0619 -2.24
+  200.1397 C9H18N3O2- 2 200.1405 -3.92
+  211.0716 C9H11N2O4- 2 211.0724 -3.87
+  226.1191 C10H16N3O3- 2 226.1197 -2.52
+  265.1661 C12H25O6- 3 265.1657 1.66
+  283.1765 C12H27O7- 3 283.1762 1.08
+  311.1717 C13H27O8- 3 311.1711 1.91
+  495.2489 C26H33N5O5- 5 495.2487 0.45
+  796.4605 C41H62N7O9- 4 796.4615 -1.14
+  864.4878 C45H66N7O10- 1 864.4877 0.13
+  890.4659 C46H64N7O11- 1 890.4669 -1.21
+  908.4764 C46H66N7O12- 1 908.4775 -1.15
+PK$NUM_PEAK: 15
+PK$PEAK: m/z int. rel.int.
+  124.0403 38803.8 10
+  128.0351 1552596.4 436
+  153.0663 51527.8 14
+  181.0615 111383 31
+  200.1397 84665.5 23
+  211.0716 46322.4 13
+  226.1191 65818.8 18
+  265.1661 243070.5 68
+  283.1765 770071.4 216
+  311.1717 227134 63
+  495.2489 376632.8 105
+  796.4605 227888.7 64
+  864.4878 145784.7 41
+  890.4659 3550809.5 999
+  908.4764 647317.2 182
+//
diff --git a/Eawag/MSBNK-EAWAG-EC189455.txt b/Eawag/MSBNK-EAWAG-EC189455.txt
new file mode 100644
index 0000000000..4d832768c9
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC189455.txt
@@ -0,0 +1,123 @@
+ACCESSION: MSBNK-EAWAG-EC189455
+RECORD_TITLE: MC-LA; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 1
+COMMENT: CyanoMetDB_ID 1894
+CH$NAME: MC-LA
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-8-isobutyl-18-((1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl)-1,5,12,15,19-pentamethyl-2-methylene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptaazacyclopentacosane-11,22-dicarboxylic acid
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,15,19-pentamethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C46H67N7O12
+CH$EXACT_MASS: 909.4847706
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](C)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C46H67N7O12/c1-24(2)21-35-44(60)52-38(46(63)64)28(6)40(56)47-29(7)41(57)49-33(18-17-25(3)22-26(4)36(65-11)23-32-15-13-12-14-16-32)27(5)39(55)50-34(45(61)62)19-20-37(54)53(10)31(9)43(59)48-30(8)42(58)51-35/h12-18,22,24,26-30,33-36,38H,9,19-21,23H2,1-8,10-11H3,(H,47,56)(H,48,59)(H,49,57)(H,50,55)(H,51,58)(H,52,60)(H,61,62)(H,63,64)/b18-17+,25-22+/t26-,27-,28-,29-,30+,33-,34+,35-,36-,38+/m0/s1
+CH$LINK: CAS 96180-79-9
+CH$LINK: CHEBI 191135
+CH$LINK: PUBCHEM CID:6437382
+CH$LINK: INCHIKEY DIAQQISRBBDJIM-DRSCAGMXSA-N
+CH$LINK: CHEMSPIDER 4941946
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-948
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.317 min
+MS$FOCUSED_ION: BASE_PEAK 908.4778
+MS$FOCUSED_ION: PRECURSOR_M/Z 908.4775
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-004i-0950000000-2ff8d9b21af3ebf72563
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  74.0247 C2H4NO2- 1 74.0248 -0.99
+  84.0453 C4H6NO- 1 84.0455 -2.46
+  87.0562 C3H7N2O- 1 87.0564 -2.54
+  99.0561 C4H7N2O- 1 99.0564 -3.14
+  110.0245 C5H4NO2- 1 110.0248 -1.97
+  112.0404 C5H6NO2- 1 112.0404 -0.41
+  113.0354 C4H5N2O2- 1 113.0357 -2.06
+  123.056 C6H7N2O- 1 123.0564 -2.91
+  124.0401 C6H6NO2- 1 124.0404 -2.11
+  125.0717 C6H9N2O- 1 125.072 -3.01
+  127.0515 C5H7N2O2- 1 127.0513 1.79
+  128.0351 C5H6NO3- 1 128.0353 -1.67
+  129.103 C6H13N2O- 1 129.1033 -2.51
+  131.0865 C10H11- 1 131.0866 -0.91
+  137.0718 C7H9N2O- 1 137.072 -1.97
+  138.0557 C7H8NO2- 1 138.0561 -2.3
+  139.0872 C7H11N2O- 1 139.0877 -3.16
+  140.0713 C7H10NO2- 1 140.0717 -3.15
+  153.0666 C7H9N2O2- 1 153.067 -2.41
+  155.0821 C7H11N2O2- 1 155.0826 -3
+  163.0504 C6H5N5O- 1 163.05 2.82
+  165.0666 C8H9N2O2- 1 165.067 -1.83
+  165.1029 C9H13N2O- 1 165.1033 -2.81
+  167.0819 C8H11N2O2- 2 167.0826 -4.17
+  170.0925 C5H10N6O- 1 170.0922 2.26
+  181.0612 C8H9N2O3- 2 181.0619 -3.59
+  183.1128 C7H13N5O- 1 183.1126 1.29
+  198.1237 C7H14N6O- 1 198.1235 1.04
+  200.1395 C9H18N3O2- 2 200.1405 -4.83
+  211.0715 C9H11N2O4- 2 211.0724 -4.59
+  212.1395 C8H16N6O- 2 212.1391 1.77
+  222.124 C11H16N3O2- 2 222.1248 -3.79
+  222.1602 C10H18N6- 2 222.1598 1.73
+  226.1191 C10H16N3O3- 2 226.1197 -2.72
+  265.1661 C12H25O6- 3 265.1657 1.54
+  283.1766 C12H27O7- 3 283.1762 1.19
+  311.1712 C13H27O8- 4 311.1711 0.15
+  313.1803 C18H23N3O2- 4 313.1796 2.24
+  327.2072 C5H33N3O12- 5 327.207 0.69
+PK$NUM_PEAK: 39
+PK$PEAK: m/z int. rel.int.
+  74.0247 69356.8 15
+  84.0453 89847.8 20
+  87.0562 69288.5 15
+  99.0561 128178.7 28
+  110.0245 185583.8 41
+  112.0404 97883.2 21
+  113.0354 109922.7 24
+  123.056 109085.3 24
+  124.0401 317848.7 70
+  125.0717 61431.1 13
+  127.0515 101864.7 22
+  128.0351 4486209.5 999
+  129.103 266928.4 59
+  131.0865 127722.3 28
+  137.0718 204571.7 45
+  138.0557 201834.7 44
+  139.0872 173585.6 38
+  140.0713 50091.4 11
+  153.0666 413422 92
+  155.0821 267160.2 59
+  163.0504 79098.3 17
+  165.0666 70870.9 15
+  165.1029 289719.2 64
+  167.0819 122365.3 27
+  170.0925 115677 25
+  181.0612 350012.5 77
+  183.1128 87009.1 19
+  198.1237 106414.3 23
+  200.1395 672093.7 149
+  211.0715 159924.2 35
+  212.1395 144289.3 32
+  222.124 70190.7 15
+  222.1602 59936.9 13
+  226.1191 208634.3 46
+  265.1661 1905390.5 424
+  283.1766 1558198.6 346
+  311.1712 262035.7 58
+  313.1803 177096.2 39
+  327.2072 372007.6 82
+//
diff --git a/Eawag/MSBNK-EAWAG-EC189456.txt b/Eawag/MSBNK-EAWAG-EC189456.txt
new file mode 100644
index 0000000000..5aee7f266f
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC189456.txt
@@ -0,0 +1,165 @@
+ACCESSION: MSBNK-EAWAG-EC189456
+RECORD_TITLE: MC-LA; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 1
+COMMENT: CyanoMetDB_ID 1894
+CH$NAME: MC-LA
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-8-isobutyl-18-((1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl)-1,5,12,15,19-pentamethyl-2-methylene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptaazacyclopentacosane-11,22-dicarboxylic acid
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,15,19-pentamethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C46H67N7O12
+CH$EXACT_MASS: 909.4847706
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](C)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C46H67N7O12/c1-24(2)21-35-44(60)52-38(46(63)64)28(6)40(56)47-29(7)41(57)49-33(18-17-25(3)22-26(4)36(65-11)23-32-15-13-12-14-16-32)27(5)39(55)50-34(45(61)62)19-20-37(54)53(10)31(9)43(59)48-30(8)42(58)51-35/h12-18,22,24,26-30,33-36,38H,9,19-21,23H2,1-8,10-11H3,(H,47,56)(H,48,59)(H,49,57)(H,50,55)(H,51,58)(H,52,60)(H,61,62)(H,63,64)/b18-17+,25-22+/t26-,27-,28-,29-,30+,33-,34+,35-,36-,38+/m0/s1
+CH$LINK: CAS 96180-79-9
+CH$LINK: CHEBI 191135
+CH$LINK: PUBCHEM CID:6437382
+CH$LINK: INCHIKEY DIAQQISRBBDJIM-DRSCAGMXSA-N
+CH$LINK: CHEMSPIDER 4941946
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-948
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.317 min
+MS$FOCUSED_ION: BASE_PEAK 908.4778
+MS$FOCUSED_ION: PRECURSOR_M/Z 908.4775
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00or-1920000000-acbb3ba9ba07bf218fb8
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  55.0188 C3H3O- 1 55.0189 -1.92
+  72.0453 C3H6NO- 1 72.0455 -2.22
+  73.0294 C3H5O2- 1 73.0295 -1.58
+  74.0246 C2H4NO2- 1 74.0248 -2.02
+  82.0296 C4H4NO- 1 82.0298 -2.81
+  82.0661 C5H8N- 1 82.0662 -1.06
+  84.0453 C4H6NO- 1 84.0455 -2.1
+  87.0561 C3H7N2O- 1 87.0564 -3.5
+  88.0402 C3H6NO2- 1 88.0404 -2.44
+  96.0453 C5H6NO- 1 96.0455 -1.95
+  97.0404 C4H5N2O- 1 97.0407 -3.56
+  98.0246 C4H4NO2- 1 98.0248 -1.58
+  99.0563 C4H7N2O- 1 99.0564 -0.52
+  100.0404 C4H6NO2- 1 100.0404 -0.04
+  109.0404 C5H5N2O- 1 109.0407 -3.32
+  110.0246 C5H4NO2- 1 110.0248 -1.49
+  110.061 C6H8NO- 1 110.0611 -1.56
+  111.0563 C5H7N2O- 1 111.0564 -0.96
+  112.0401 C5H6NO2- 1 112.0404 -2.59
+  112.0767 C6H10NO- 1 112.0768 -0.49
+  113.0354 C4H5N2O2- 1 113.0357 -2.54
+  123.0561 C6H7N2O- 1 123.0564 -2.42
+  124.0403 C6H6NO2- 1 124.0404 -1.13
+  125.072 C6H9N2O- 1 125.072 -0.51
+  127.0513 C5H7N2O2- 1 127.0513 0.11
+  127.0876 C6H11N2O- 1 127.0877 -0.74
+  128.0351 C5H6NO3- 1 128.0353 -1.79
+  129.103 C6H13N2O- 1 129.1033 -2.28
+  130.0871 C6H12NO2- 1 130.0874 -1.66
+  131.0863 C10H11- 1 131.0866 -2.19
+  137.0718 C7H9N2O- 1 137.072 -1.75
+  138.0431 C6H6N2O2- 1 138.0435 -2.5
+  138.0555 C7H8NO2- 1 138.0561 -4.07
+  139.0873 C7H11N2O- 1 139.0877 -2.61
+  140.0714 C7H10NO2- 1 140.0717 -2.39
+  141.0663 C6H9N2O2- 1 141.067 -4.35
+  153.0666 C7H9N2O2- 1 153.067 -2.51
+  153.1027 C6H11N5- 2 153.102 4.71
+  155.0822 C7H11N2O2- 1 155.0826 -2.7
+  155.1184 C8H15N2O- 2 155.119 -4.04
+  165.1027 C9H13N2O- 2 165.1033 -3.64
+  167.0821 C8H11N2O2- 2 167.0826 -3.07
+  170.0928 C5H10N6O- 2 170.0922 3.7
+  180.1146 C9H14N3O- 1 180.1142 2.09
+  181.0615 C8H9N2O3- 1 181.0619 -2.08
+  181.0976 C9H13N2O2- 2 181.0983 -3.47
+  182.1291 C7H14N6- 2 182.1285 3.12
+  183.1134 C7H13N5O- 2 183.1126 4.54
+  195.1138 C10H15N2O2- 1 195.1139 -0.76
+  198.1241 C7H14N6O- 2 198.1235 3.28
+  200.1397 C9H18N3O2- 2 200.1405 -3.99
+  211.0714 C9H11N2O4- 2 211.0724 -4.88
+  212.1397 C8H16N6O- 2 212.1391 2.85
+  222.1604 C10H18N6- 2 222.1598 2.69
+  226.1196 C10H16N3O3- 1 226.1197 -0.63
+  265.1661 C12H25O6- 3 265.1657 1.54
+  283.1766 C12H27O7- 3 283.1762 1.19
+  295.1804 C17H21N5- 4 295.1802 0.58
+  325.2274 C19H27N5- 5 325.2272 0.64
+  327.207 C5H33N3O12- 5 327.207 0.03
+PK$NUM_PEAK: 60
+PK$PEAK: m/z int. rel.int.
+  55.0188 54968.4 15
+  72.0453 111274.6 31
+  73.0294 73759.6 20
+  74.0246 175554.5 49
+  82.0296 78543.1 22
+  82.0661 57282.3 16
+  84.0453 211514.8 59
+  87.0561 134745 37
+  88.0402 36069.8 10
+  96.0453 42931.9 12
+  97.0404 65412.5 18
+  98.0246 42246.9 11
+  99.0563 367086.9 102
+  100.0404 90129.7 25
+  109.0404 36402.8 10
+  110.0246 359861.1 100
+  110.061 53063.2 14
+  111.0563 175734.2 49
+  112.0401 146328.7 40
+  112.0767 42925.2 12
+  113.0354 162348.7 45
+  123.0561 147742.5 41
+  124.0403 380542.2 106
+  125.072 129298.5 36
+  127.0513 141177.3 39
+  127.0876 61772.1 17
+  128.0351 3566285.5 999
+  129.103 579439 162
+  130.0871 61958.2 17
+  131.0863 207036.8 57
+  137.0718 272571.9 76
+  138.0431 46408.3 13
+  138.0555 279834 78
+  139.0873 357211.5 100
+  140.0714 53910 15
+  141.0663 48849.9 13
+  153.0666 576048 161
+  153.1027 48271.7 13
+  155.0822 394928.7 110
+  155.1184 49198.5 13
+  165.1027 718592.6 201
+  167.0821 159899.2 44
+  170.0928 174973 49
+  180.1146 303878.3 85
+  181.0615 187137.7 52
+  181.0976 36281.3 10
+  182.1291 602264.1 168
+  183.1134 152612.4 42
+  195.1138 47663.4 13
+  198.1241 213973.2 59
+  200.1397 732071.9 205
+  211.0714 100984.1 28
+  212.1397 87448.9 24
+  222.1604 54110.5 15
+  226.1196 162214.9 45
+  265.1661 1669034 467
+  283.1766 420967.3 117
+  295.1804 289368.9 81
+  325.2274 49866.4 13
+  327.207 87660.3 24
+//
diff --git a/Eawag/MSBNK-EAWAG-EC189457.txt b/Eawag/MSBNK-EAWAG-EC189457.txt
new file mode 100644
index 0000000000..ee3652ccea
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC189457.txt
@@ -0,0 +1,171 @@
+ACCESSION: MSBNK-EAWAG-EC189457
+RECORD_TITLE: MC-LA; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 1
+COMMENT: CyanoMetDB_ID 1894
+CH$NAME: MC-LA
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-8-isobutyl-18-((1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl)-1,5,12,15,19-pentamethyl-2-methylene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptaazacyclopentacosane-11,22-dicarboxylic acid
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,15,19-pentamethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C46H67N7O12
+CH$EXACT_MASS: 909.4847706
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](C)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C46H67N7O12/c1-24(2)21-35-44(60)52-38(46(63)64)28(6)40(56)47-29(7)41(57)49-33(18-17-25(3)22-26(4)36(65-11)23-32-15-13-12-14-16-32)27(5)39(55)50-34(45(61)62)19-20-37(54)53(10)31(9)43(59)48-30(8)42(58)51-35/h12-18,22,24,26-30,33-36,38H,9,19-21,23H2,1-8,10-11H3,(H,47,56)(H,48,59)(H,49,57)(H,50,55)(H,51,58)(H,52,60)(H,61,62)(H,63,64)/b18-17+,25-22+/t26-,27-,28-,29-,30+,33-,34+,35-,36-,38+/m0/s1
+CH$LINK: CAS 96180-79-9
+CH$LINK: CHEBI 191135
+CH$LINK: PUBCHEM CID:6437382
+CH$LINK: INCHIKEY DIAQQISRBBDJIM-DRSCAGMXSA-N
+CH$LINK: CHEMSPIDER 4941946
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-948
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.317 min
+MS$FOCUSED_ION: BASE_PEAK 908.4778
+MS$FOCUSED_ION: PRECURSOR_M/Z 908.4775
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-004i-1900000000-0ced14010a4d35e9e050
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  55.0188 C3H3O- 1 55.0189 -1.85
+  72.0454 C3H6NO- 1 72.0455 -1.06
+  73.0294 C3H5O2- 1 73.0295 -1.99
+  74.0246 C2H4NO2- 1 74.0248 -1.61
+  82.0297 C4H4NO- 1 82.0298 -1.98
+  82.0662 C5H8N- 1 82.0662 -0.5
+  84.0453 C4H6NO- 1 84.0455 -1.65
+  84.0817 C5H10N- 1 84.0819 -1.93
+  85.0405 C3H5N2O- 1 85.0407 -2.4
+  87.0563 C3H7N2O- 1 87.0564 -1.49
+  88.0402 C3H6NO2- 1 88.0404 -2.7
+  91.055 C7H7- 1 91.0553 -3.35
+  96.0454 C5H6NO- 1 96.0455 -0.52
+  97.0404 C4H5N2O- 1 97.0407 -3.32
+  98.0608 C5H8NO- 1 98.0611 -3.3
+  99.0562 C4H7N2O- 1 99.0564 -1.44
+  100.0401 C4H6NO2- 1 100.0404 -2.79
+  102.0557 C4H8NO2- 1 102.0561 -3.27
+  109.0405 C5H5N2O- 1 109.0407 -2.13
+  109.0768 C6H9N2- 1 109.0771 -2.77
+  110.0246 C5H4NO2- 1 110.0248 -1.83
+  110.061 C6H8NO- 1 110.0611 -1.49
+  111.0199 C4H3N2O2- 1 111.02 -1.29
+  111.0561 C5H7N2O- 1 111.0564 -2.74
+  112.0403 C5H6NO2- 1 112.0404 -0.55
+  112.0765 C6H10NO- 1 112.0768 -2.6
+  113.0354 C4H5N2O2- 1 113.0357 -2.27
+  122.0972 C8H12N- 1 122.0975 -2.53
+  123.0325 C6H5NO2- 1 123.0326 -0.26
+  123.0559 C6H7N2O- 1 123.0564 -3.66
+  124.0402 C6H6NO2- 1 124.0404 -1.93
+  125.0356 C5H5N2O2- 1 125.0357 -0.07
+  125.0716 C6H9N2O- 1 125.072 -3.68
+  127.051 C5H7N2O2- 1 127.0513 -2.53
+  128.0351 C5H6NO3- 1 128.0353 -1.91
+  129.1031 C6H13N2O- 1 129.1033 -2.04
+  130.087 C6H12NO2- 1 130.0874 -2.95
+  131.0864 C10H11- 1 131.0866 -1.84
+  136.1127 C9H14N- 1 136.1132 -3.37
+  137.0716 C7H9N2O- 1 137.072 -2.87
+  138.043 C6H6N2O2- 1 138.0435 -3.28
+  138.0558 C7H8NO2- 1 138.0561 -1.97
+  139.0874 C7H11N2O- 1 139.0877 -2.28
+  140.0712 C7H10NO2- 1 140.0717 -3.26
+  150.0556 C8H8NO2- 1 150.0561 -3.1
+  151.0872 C8H11N2O- 1 151.0877 -3.18
+  153.0666 C7H9N2O2- 1 153.067 -2.61
+  153.1023 C6H11N5- 1 153.102 2.01
+  155.0822 C7H11N2O2- 1 155.0826 -2.41
+  163.0508 C8H7N2O2- 2 163.0513 -3.26
+  165.067 C8H9N2O2- 1 165.067 0.11
+  165.1028 C9H13N2O- 2 165.1033 -3.54
+  167.0822 C8H11N2O2- 1 167.0826 -2.16
+  170.0926 C5H10N6O- 1 170.0922 2.53
+  180.1138 C9H14N3O- 2 180.1142 -2.57
+  181.0611 C8H9N2O3- 2 181.0619 -4.1
+  182.129 C7H14N6- 2 182.1285 2.78
+  183.1129 C7H13N5O- 1 183.1126 1.79
+  195.1133 C10H15N2O2- 2 195.1139 -3.03
+  198.124 C7H14N6O- 2 198.1235 2.97
+  200.1396 C9H18N3O2- 2 200.1405 -4.37
+  265.1661 C12H25O6- 3 265.1657 1.66
+  283.1767 C12H27O7- 3 283.1762 1.51
+PK$NUM_PEAK: 63
+PK$PEAK: m/z int. rel.int.
+  55.0188 109495 41
+  72.0454 129527 48
+  73.0294 74543.9 28
+  74.0246 201548.5 76
+  82.0297 94521.7 35
+  82.0662 82238.1 31
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+  84.0817 31802.2 12
+  85.0405 28301.8 10
+  87.0563 240213 90
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+  96.0454 41212 15
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+  98.0608 86609.6 32
+  99.0562 494598.2 186
+  100.0401 66975.8 25
+  102.0557 29416.1 11
+  109.0405 81023.9 30
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+  110.0246 506335.5 191
+  110.061 56219.8 21
+  111.0199 43181.9 16
+  111.0561 208104.2 78
+  112.0403 183159.1 69
+  112.0765 91408.6 34
+  113.0354 227548.4 85
+  122.0972 58200.1 21
+  123.0325 76446.2 28
+  123.0559 170928 64
+  124.0402 447101.7 168
+  125.0356 41109.5 15
+  125.0716 173787.8 65
+  127.051 111849.7 42
+  128.0351 2645891.8 999
+  129.1031 786142.4 296
+  130.087 57751.2 21
+  131.0864 132881.2 50
+  136.1127 66890.3 25
+  137.0716 243709.5 92
+  138.043 84915 32
+  138.0558 233561.9 88
+  139.0874 399048.5 150
+  140.0712 41324.3 15
+  150.0556 153406.2 57
+  151.0872 30646.3 11
+  153.0666 434355.4 163
+  153.1023 77994.7 29
+  155.0822 295771.8 111
+  163.0508 102039 38
+  165.067 73716.3 27
+  165.1028 720072.9 271
+  167.0822 140522.1 53
+  170.0926 113364.8 42
+  180.1138 460519.7 173
+  181.0611 55165.3 20
+  182.129 1038275.9 392
+  183.1129 149797.9 56
+  195.1133 29870.3 11
+  198.124 141081.2 53
+  200.1396 490328.9 185
+  265.1661 649784.5 245
+  283.1767 59129.6 22
+//
diff --git a/Eawag/MSBNK-EAWAG-EC189458.txt b/Eawag/MSBNK-EAWAG-EC189458.txt
new file mode 100644
index 0000000000..eb7b58ccee
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC189458.txt
@@ -0,0 +1,169 @@
+ACCESSION: MSBNK-EAWAG-EC189458
+RECORD_TITLE: MC-LA; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 1
+COMMENT: CyanoMetDB_ID 1894
+CH$NAME: MC-LA
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-8-isobutyl-18-((1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl)-1,5,12,15,19-pentamethyl-2-methylene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptaazacyclopentacosane-11,22-dicarboxylic acid
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,15,19-pentamethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C46H67N7O12
+CH$EXACT_MASS: 909.4847706
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](C)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C46H67N7O12/c1-24(2)21-35-44(60)52-38(46(63)64)28(6)40(56)47-29(7)41(57)49-33(18-17-25(3)22-26(4)36(65-11)23-32-15-13-12-14-16-32)27(5)39(55)50-34(45(61)62)19-20-37(54)53(10)31(9)43(59)48-30(8)42(58)51-35/h12-18,22,24,26-30,33-36,38H,9,19-21,23H2,1-8,10-11H3,(H,47,56)(H,48,59)(H,49,57)(H,50,55)(H,51,58)(H,52,60)(H,61,62)(H,63,64)/b18-17+,25-22+/t26-,27-,28-,29-,30+,33-,34+,35-,36-,38+/m0/s1
+CH$LINK: CAS 96180-79-9
+CH$LINK: CHEBI 191135
+CH$LINK: PUBCHEM CID:6437382
+CH$LINK: INCHIKEY DIAQQISRBBDJIM-DRSCAGMXSA-N
+CH$LINK: CHEMSPIDER 4941946
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-948
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.317 min
+MS$FOCUSED_ION: BASE_PEAK 908.4778
+MS$FOCUSED_ION: PRECURSOR_M/Z 908.4775
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0059-2900000000-f7c5ece71fc57d0040d0
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  55.0189 C3H3O- 1 55.0189 -0.81
+  58.0297 C2H4NO- 1 58.0298 -1.91
+  66.035 C4H4N- 1 66.0349 1.6
+  70.0298 C3H4NO- 1 70.0298 -0.24
+  72.0454 C3H6NO- 1 72.0455 -1.48
+  73.0295 C3H5O2- 1 73.0295 0.41
+  74.0246 C2H4NO2- 1 74.0248 -2.33
+  80.0504 C5H6N- 1 80.0506 -2.27
+  82.0297 C4H4NO- 1 82.0298 -1.88
+  82.066 C5H8N- 1 82.0662 -2.64
+  84.0454 C4H6NO- 1 84.0455 -1.01
+  84.082 C5H10N- 1 84.0819 1.61
+  85.0407 C3H5N2O- 1 85.0407 -0.79
+  87.0562 C3H7N2O- 1 87.0564 -1.58
+  88.0404 C3H6NO2- 1 88.0404 0.07
+  96.0455 C5H6NO- 1 96.0455 -0.04
+  96.0818 C6H10N- 1 96.0819 -0.53
+  97.0406 C4H5N2O- 1 97.0407 -1.59
+  98.0611 C5H8NO- 1 98.0611 -0.65
+  99.0562 C4H7N2O- 1 99.0564 -1.6
+  100.0404 C4H6NO2- 1 100.0404 0.42
+  108.0331 C5H4N2O- 1 108.0329 1.71
+  109.0406 C5H5N2O- 1 109.0407 -1.64
+  109.077 C6H9N2- 1 109.0771 -1.09
+  110.0246 C5H4NO2- 1 110.0248 -1.62
+  110.0611 C6H8NO- 1 110.0611 -0.25
+  111.0197 C4H3N2O2- 1 111.02 -2.8
+  111.0562 C5H7N2O- 1 111.0564 -1.37
+  112.0402 C5H6NO2- 1 112.0404 -1.7
+  112.0767 C6H10NO- 1 112.0768 -1.1
+  113.0355 C4H5N2O2- 1 113.0357 -1.73
+  122.0973 C8H12N- 1 122.0975 -2.09
+  123.0327 C6H5NO2- 1 123.0326 1.16
+  123.0561 C6H7N2O- 1 123.0564 -2.04
+  124.0401 C6H6NO2- 1 124.0404 -2.24
+  125.0356 C5H5N2O2- 1 125.0357 -0.62
+  125.0596 C5H7N3O- 1 125.0595 1.1
+  125.0722 C6H9N2O- 1 125.072 1.02
+  126.0561 C6H8NO2- 1 126.0561 0.18
+  127.0511 C5H7N2O2- 1 127.0513 -1.75
+  128.0351 C5H6NO3- 1 128.0353 -1.79
+  129.1031 C6H13N2O- 1 129.1033 -1.57
+  131.0867 C10H11- 1 131.0866 0.37
+  135.0563 C7H7N2O- 1 135.0564 -0.67
+  136.1128 C9H14N- 1 136.1132 -3.03
+  138.0432 C6H6N2O2- 1 138.0435 -2.17
+  138.0559 C7H8NO2- 1 138.0561 -0.76
+  139.051 C6H7N2O2- 1 139.0513 -2.33
+  139.0874 C7H11N2O- 1 139.0877 -2.17
+  150.0553 C8H8NO2- 2 150.0561 -4.83
+  153.0665 C7H9N2O2- 1 153.067 -2.71
+  155.0822 C7H11N2O2- 1 155.0826 -2.7
+  155.1185 C8H15N2O- 1 155.119 -2.95
+  163.0507 C8H7N2O2- 2 163.0513 -3.63
+  165.0664 C8H9N2O2- 2 165.067 -3.4
+  165.1027 C9H13N2O- 2 165.1033 -3.73
+  167.0821 C8H11N2O2- 1 167.0826 -2.89
+  180.1135 C9H14N3O- 2 180.1142 -3.93
+  182.1292 C7H14N6- 2 182.1285 3.37
+  183.1135 C7H13N5O- 2 183.1126 4.95
+  198.1244 C7H14N6O- 2 198.1235 4.89
+  200.1398 C9H18N3O2- 2 200.1405 -3.23
+PK$NUM_PEAK: 62
+PK$PEAK: m/z int. rel.int.
+  55.0189 111227.7 90
+  58.0297 29392.3 24
+  66.035 23319.1 19
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+  100.0404 31697.1 25
+  108.0331 17848.8 14
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+  112.0767 85399.2 69
+  113.0355 176186.9 143
+  122.0973 46499.3 37
+  123.0327 80977 66
+  123.0561 98325.1 80
+  124.0401 260742.5 212
+  125.0356 32802.1 26
+  125.0596 43939.6 35
+  125.0722 126113.8 103
+  126.0561 23701 19
+  127.0511 95383.4 77
+  128.0351 1223123 999
+  129.1031 542973 443
+  131.0867 42234.2 34
+  135.0563 36605.4 29
+  136.1128 36663.6 29
+  138.0432 87055.8 71
+  138.0559 150987.3 123
+  139.051 26440.1 21
+  139.0874 249086.2 203
+  150.0553 115136.2 94
+  153.0665 195176.5 159
+  155.0822 187083.4 152
+  155.1185 80733.3 65
+  163.0507 77686.1 63
+  165.0664 41331.3 33
+  165.1027 352614.3 288
+  167.0821 82603 67
+  180.1135 270599.2 221
+  182.1292 733511.6 599
+  183.1135 85324.2 69
+  198.1244 48478.6 39
+  200.1398 179766.6 146
+//
diff --git a/Eawag/MSBNK-EAWAG-EC189459.txt b/Eawag/MSBNK-EAWAG-EC189459.txt
new file mode 100644
index 0000000000..c5a0187c8e
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC189459.txt
@@ -0,0 +1,121 @@
+ACCESSION: MSBNK-EAWAG-EC189459
+RECORD_TITLE: MC-LA; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 1
+COMMENT: CyanoMetDB_ID 1894
+CH$NAME: MC-LA
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-8-isobutyl-18-((1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl)-1,5,12,15,19-pentamethyl-2-methylene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptaazacyclopentacosane-11,22-dicarboxylic acid
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,15,19-pentamethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C46H67N7O12
+CH$EXACT_MASS: 909.4847706
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](C)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C46H67N7O12/c1-24(2)21-35-44(60)52-38(46(63)64)28(6)40(56)47-29(7)41(57)49-33(18-17-25(3)22-26(4)36(65-11)23-32-15-13-12-14-16-32)27(5)39(55)50-34(45(61)62)19-20-37(54)53(10)31(9)43(59)48-30(8)42(58)51-35/h12-18,22,24,26-30,33-36,38H,9,19-21,23H2,1-8,10-11H3,(H,47,56)(H,48,59)(H,49,57)(H,50,55)(H,51,58)(H,52,60)(H,61,62)(H,63,64)/b18-17+,25-22+/t26-,27-,28-,29-,30+,33-,34+,35-,36-,38+/m0/s1
+CH$LINK: CAS 96180-79-9
+CH$LINK: CHEBI 191135
+CH$LINK: PUBCHEM CID:6437382
+CH$LINK: INCHIKEY DIAQQISRBBDJIM-DRSCAGMXSA-N
+CH$LINK: CHEMSPIDER 4941946
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-948
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.317 min
+MS$FOCUSED_ION: BASE_PEAK 908.4778
+MS$FOCUSED_ION: PRECURSOR_M/Z 908.4775
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0059-4900000000-a33f9503337ef85ce8ec
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  55.0189 C3H3O- 1 55.0189 -1.23
+  66.0348 C4H4N- 1 66.0349 -1.63
+  70.0297 C3H4NO- 1 70.0298 -2.42
+  72.0454 C3H6NO- 1 72.0455 -0.84
+  73.0294 C3H5O2- 1 73.0295 -0.74
+  74.0245 C2H4NO2- 1 74.0248 -3.05
+  82.0296 C4H4NO- 1 82.0298 -3.46
+  82.066 C5H8N- 1 82.0662 -3.2
+  84.0453 C4H6NO- 1 84.0455 -2.37
+  87.0563 C3H7N2O- 1 87.0564 -0.96
+  96.0455 C5H6NO- 1 96.0455 0.51
+  96.0817 C6H10N- 1 96.0819 -2.2
+  97.0404 C4H5N2O- 1 97.0407 -3.56
+  99.0562 C4H7N2O- 1 99.0564 -1.6
+  109.0171 C5H3NO2- 1 109.0169 1.14
+  109.0404 C5H5N2O- 1 109.0407 -3.46
+  110.0245 C5H4NO2- 1 110.0248 -1.9
+  110.061 C6H8NO- 1 110.0611 -1.01
+  111.02 C4H3N2O2- 1 111.02 0.15
+  112.0402 C5H6NO2- 1 112.0404 -1.84
+  112.0767 C6H10NO- 1 112.0768 -1.1
+  113.0353 C4H5N2O2- 1 113.0357 -2.94
+  122.0489 C6H6N2O- 1 122.0486 2.63
+  122.0975 C8H12N- 1 122.0975 -0.28
+  124.0401 C6H6NO2- 1 124.0404 -2.54
+  125.0595 C5H7N3O- 1 125.0595 0.49
+  125.072 C6H9N2O- 1 125.072 -0.45
+  128.0351 C5H6NO3- 1 128.0353 -1.91
+  129.103 C6H13N2O- 1 129.1033 -2.28
+  135.0561 C7H7N2O- 1 135.0564 -2.25
+  139.0875 C7H11N2O- 1 139.0877 -1.52
+  155.0821 C7H11N2O2- 1 155.0826 -3.09
+  155.1185 C8H15N2O- 1 155.119 -2.95
+  163.051 C8H7N2O2- 1 163.0513 -1.86
+  165.1028 C9H13N2O- 2 165.1033 -3.45
+  167.0823 C8H11N2O2- 1 167.0826 -1.61
+  180.1136 C9H14N3O- 2 180.1142 -3.25
+  182.1291 C7H14N6- 2 182.1285 2.87
+PK$NUM_PEAK: 38
+PK$PEAK: m/z int. rel.int.
+  55.0189 99261.1 172
+  66.0348 28776 49
+  70.0297 28425.8 49
+  72.0454 112982.8 196
+  73.0294 50672.7 87
+  74.0245 127702.4 221
+  82.0296 86497.3 150
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+  84.0453 220551.5 382
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+  96.0455 33266 57
+  96.0817 62653.8 108
+  97.0404 83156.3 144
+  99.0562 177661.6 308
+  109.0171 36666.2 63
+  109.0404 85077.8 147
+  110.0245 385786 669
+  110.061 30157.6 52
+  111.02 39125.7 67
+  112.0402 92709.6 160
+  112.0767 75620.9 131
+  113.0353 111944.8 194
+  122.0489 25946.8 45
+  122.0975 31438.3 54
+  124.0401 164310 285
+  125.0595 68446.2 118
+  125.072 71668 124
+  128.0351 575291.7 999
+  129.103 326977.1 567
+  135.0561 19926.2 34
+  139.0875 125763.8 218
+  155.0821 60403.5 104
+  155.1185 29017.2 50
+  163.051 25675.1 44
+  165.1028 165200.2 286
+  167.0823 36560.7 63
+  180.1136 93756 162
+  182.1291 405476.2 704
+//
diff --git a/Eawag/MSBNK-EAWAG-EC189501.txt b/Eawag/MSBNK-EAWAG-EC189501.txt
new file mode 100644
index 0000000000..71acc9c0a4
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC189501.txt
@@ -0,0 +1,43 @@
+ACCESSION: MSBNK-EAWAG-EC189501
+RECORD_TITLE: [D-Asp3]MC-RY; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], A. Ballot [dtc], A. Dax [com] * Tentative, please confirm before release
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1895
+CH$NAME: [D-Asp3]MC-RY
+CH$NAME: (5R,8S,11R,15S,18S,19S,22R)-8-[3-(diaminomethylideneamino)propyl]-15-[(4-hydroxyphenyl)methyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,19-trimethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C51H70N10O13
+CH$EXACT_MASS: 1030.512382
+CH$SMILES: O=C(N(C)C(C(N[C@@H](C1=O)C)=O)=C)CC[C@H](C(O)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CC3=CC=C(O)C=C3)NC(C[C@H](C(O)=O)NC([C@@H](N1)CCCNC(N)=N)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C51H70N10O13/c1-28(24-29(2)41(74-7)26-33-12-9-8-10-13-33)15-20-36-30(3)44(65)59-38(49(70)71)21-22-43(64)61(6)32(5)46(67)55-31(4)45(66)58-37(14-11-23-54-51(52)53)47(68)60-40(50(72)73)27-42(63)56-39(48(69)57-36)25-34-16-18-35(62)19-17-34/h8-10,12-13,15-20,24,29-31,36-41,62H,5,11,14,21-23,25-27H2,1-4,6-7H3,(H,55,67)(H,56,63)(H,57,69)(H,58,66)(H,59,65)(H,60,68)(H,70,71)(H,72,73)(H4,52,53,54)/b20-15+,28-24+/t29-,30-,31+,36-,37-,38+,39-,40+,41-/m0/s1
+CH$LINK: PUBCHEM CID:155801630
+CH$LINK: INCHIKEY AKRUYPJUAZTDLQ-XAIZWMDNSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1073
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 17.063 min
+MS$FOCUSED_ION: BASE_PEAK 1031.5193
+MS$FOCUSED_ION: PRECURSOR_M/Z 1031.5197
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-001i-9000000000-9ac6769af51ddebb8851
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  1031.52 C51H71N10O13+ 1 1031.5197 0.34
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  1031.52 7660041.5 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC189502.txt b/Eawag/MSBNK-EAWAG-EC189502.txt
new file mode 100644
index 0000000000..04cefec0c0
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC189502.txt
@@ -0,0 +1,43 @@
+ACCESSION: MSBNK-EAWAG-EC189502
+RECORD_TITLE: [D-Asp3]MC-RY; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], A. Ballot [dtc], A. Dax [com] * Tentative, please confirm before release
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1895
+CH$NAME: [D-Asp3]MC-RY
+CH$NAME: (5R,8S,11R,15S,18S,19S,22R)-8-[3-(diaminomethylideneamino)propyl]-15-[(4-hydroxyphenyl)methyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,19-trimethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C51H70N10O13
+CH$EXACT_MASS: 1030.512382
+CH$SMILES: O=C(N(C)C(C(N[C@@H](C1=O)C)=O)=C)CC[C@H](C(O)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CC3=CC=C(O)C=C3)NC(C[C@H](C(O)=O)NC([C@@H](N1)CCCNC(N)=N)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C51H70N10O13/c1-28(24-29(2)41(74-7)26-33-12-9-8-10-13-33)15-20-36-30(3)44(65)59-38(49(70)71)21-22-43(64)61(6)32(5)46(67)55-31(4)45(66)58-37(14-11-23-54-51(52)53)47(68)60-40(50(72)73)27-42(63)56-39(48(69)57-36)25-34-16-18-35(62)19-17-34/h8-10,12-13,15-20,24,29-31,36-41,62H,5,11,14,21-23,25-27H2,1-4,6-7H3,(H,55,67)(H,56,63)(H,57,69)(H,58,66)(H,59,65)(H,60,68)(H,70,71)(H,72,73)(H4,52,53,54)/b20-15+,28-24+/t29-,30-,31+,36-,37-,38+,39-,40+,41-/m0/s1
+CH$LINK: PUBCHEM CID:155801630
+CH$LINK: INCHIKEY AKRUYPJUAZTDLQ-XAIZWMDNSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1073
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 17.063 min
+MS$FOCUSED_ION: BASE_PEAK 1031.5193
+MS$FOCUSED_ION: PRECURSOR_M/Z 1031.5197
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-001i-9000000000-ea43fe91a99c56ad283a
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  1031.5201 C51H71N10O13+ 1 1031.5197 0.46
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  1031.5201 5353079 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC189503.txt b/Eawag/MSBNK-EAWAG-EC189503.txt
new file mode 100644
index 0000000000..408b6bcb1b
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC189503.txt
@@ -0,0 +1,43 @@
+ACCESSION: MSBNK-EAWAG-EC189503
+RECORD_TITLE: [D-Asp3]MC-RY; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], A. Ballot [dtc], A. Dax [com] * Tentative, please confirm before release
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1895
+CH$NAME: [D-Asp3]MC-RY
+CH$NAME: (5R,8S,11R,15S,18S,19S,22R)-8-[3-(diaminomethylideneamino)propyl]-15-[(4-hydroxyphenyl)methyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,19-trimethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C51H70N10O13
+CH$EXACT_MASS: 1030.512382
+CH$SMILES: O=C(N(C)C(C(N[C@@H](C1=O)C)=O)=C)CC[C@H](C(O)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CC3=CC=C(O)C=C3)NC(C[C@H](C(O)=O)NC([C@@H](N1)CCCNC(N)=N)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C51H70N10O13/c1-28(24-29(2)41(74-7)26-33-12-9-8-10-13-33)15-20-36-30(3)44(65)59-38(49(70)71)21-22-43(64)61(6)32(5)46(67)55-31(4)45(66)58-37(14-11-23-54-51(52)53)47(68)60-40(50(72)73)27-42(63)56-39(48(69)57-36)25-34-16-18-35(62)19-17-34/h8-10,12-13,15-20,24,29-31,36-41,62H,5,11,14,21-23,25-27H2,1-4,6-7H3,(H,55,67)(H,56,63)(H,57,69)(H,58,66)(H,59,65)(H,60,68)(H,70,71)(H,72,73)(H4,52,53,54)/b20-15+,28-24+/t29-,30-,31+,36-,37-,38+,39-,40+,41-/m0/s1
+CH$LINK: PUBCHEM CID:155801630
+CH$LINK: INCHIKEY AKRUYPJUAZTDLQ-XAIZWMDNSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1073
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 17.063 min
+MS$FOCUSED_ION: BASE_PEAK 1031.5193
+MS$FOCUSED_ION: PRECURSOR_M/Z 1031.5197
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-001i-9000000000-ea43fe91a99c56ad283a
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  1031.5201 C51H71N10O13+ 1 1031.5197 0.46
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  1031.5201 2580786.2 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC189504.txt b/Eawag/MSBNK-EAWAG-EC189504.txt
new file mode 100644
index 0000000000..4775362708
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC189504.txt
@@ -0,0 +1,65 @@
+ACCESSION: MSBNK-EAWAG-EC189504
+RECORD_TITLE: [D-Asp3]MC-RY; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], A. Ballot [dtc], A. Dax [com] * Tentative, please confirm before release
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1895
+CH$NAME: [D-Asp3]MC-RY
+CH$NAME: (5R,8S,11R,15S,18S,19S,22R)-8-[3-(diaminomethylideneamino)propyl]-15-[(4-hydroxyphenyl)methyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,19-trimethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C51H70N10O13
+CH$EXACT_MASS: 1030.512382
+CH$SMILES: O=C(N(C)C(C(N[C@@H](C1=O)C)=O)=C)CC[C@H](C(O)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CC3=CC=C(O)C=C3)NC(C[C@H](C(O)=O)NC([C@@H](N1)CCCNC(N)=N)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C51H70N10O13/c1-28(24-29(2)41(74-7)26-33-12-9-8-10-13-33)15-20-36-30(3)44(65)59-38(49(70)71)21-22-43(64)61(6)32(5)46(67)55-31(4)45(66)58-37(14-11-23-54-51(52)53)47(68)60-40(50(72)73)27-42(63)56-39(48(69)57-36)25-34-16-18-35(62)19-17-34/h8-10,12-13,15-20,24,29-31,36-41,62H,5,11,14,21-23,25-27H2,1-4,6-7H3,(H,55,67)(H,56,63)(H,57,69)(H,58,66)(H,59,65)(H,60,68)(H,70,71)(H,72,73)(H4,52,53,54)/b20-15+,28-24+/t29-,30-,31+,36-,37-,38+,39-,40+,41-/m0/s1
+CH$LINK: PUBCHEM CID:155801630
+CH$LINK: INCHIKEY AKRUYPJUAZTDLQ-XAIZWMDNSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1073
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 17.063 min
+MS$FOCUSED_ION: BASE_PEAK 1031.5193
+MS$FOCUSED_ION: PRECURSOR_M/Z 1031.5197
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-01q9-7964000000-0823b665d592db35e373
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  70.0651 C4H8N+ 1 70.0651 -0.07
+  107.0854 C8H11+ 1 107.0855 -0.9
+  127.0867 C6H11N2O+ 1 127.0866 0.59
+  135.0803 C9H11O+ 1 135.0804 -0.72
+  155.0813 C7H11N2O2+ 1 155.0815 -1.52
+  163.1113 C11H15O+ 1 163.1117 -2.44
+  175.1183 C6H15N4O2+ 3 175.119 -3.57
+  213.0863 C7H11N5O3+ 2 213.0856 2.87
+  294.1558 C13H20N5O3+ 3 294.1561 -0.87
+  311.1825 C12H27N2O7+ 4 311.1813 4.04
+  329.192 C12H29N2O8+ 4 329.1918 0.56
+  1031.5174 C51H71N10O13+ 1 1031.5197 -2.15
+PK$NUM_PEAK: 12
+PK$PEAK: m/z int. rel.int.
+  70.0651 74193.2 89
+  107.0854 143733.9 173
+  127.0867 82314.6 99
+  135.0803 327722.8 394
+  155.0813 155471.1 187
+  163.1113 254780.4 306
+  175.1183 64885.7 78
+  213.0863 355170.2 427
+  294.1558 349930.2 421
+  311.1825 159094.8 191
+  329.192 348464.7 419
+  1031.5174 829810.4 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC189505.txt b/Eawag/MSBNK-EAWAG-EC189505.txt
new file mode 100644
index 0000000000..a452b68922
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC189505.txt
@@ -0,0 +1,107 @@
+ACCESSION: MSBNK-EAWAG-EC189505
+RECORD_TITLE: [D-Asp3]MC-RY; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], A. Ballot [dtc], A. Dax [com] * Tentative, please confirm before release
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1895
+CH$NAME: [D-Asp3]MC-RY
+CH$NAME: (5R,8S,11R,15S,18S,19S,22R)-8-[3-(diaminomethylideneamino)propyl]-15-[(4-hydroxyphenyl)methyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,19-trimethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C51H70N10O13
+CH$EXACT_MASS: 1030.512382
+CH$SMILES: O=C(N(C)C(C(N[C@@H](C1=O)C)=O)=C)CC[C@H](C(O)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CC3=CC=C(O)C=C3)NC(C[C@H](C(O)=O)NC([C@@H](N1)CCCNC(N)=N)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C51H70N10O13/c1-28(24-29(2)41(74-7)26-33-12-9-8-10-13-33)15-20-36-30(3)44(65)59-38(49(70)71)21-22-43(64)61(6)32(5)46(67)55-31(4)45(66)58-37(14-11-23-54-51(52)53)47(68)60-40(50(72)73)27-42(63)56-39(48(69)57-36)25-34-16-18-35(62)19-17-34/h8-10,12-13,15-20,24,29-31,36-41,62H,5,11,14,21-23,25-27H2,1-4,6-7H3,(H,55,67)(H,56,63)(H,57,69)(H,58,66)(H,59,65)(H,60,68)(H,70,71)(H,72,73)(H4,52,53,54)/b20-15+,28-24+/t29-,30-,31+,36-,37-,38+,39-,40+,41-/m0/s1
+CH$LINK: PUBCHEM CID:155801630
+CH$LINK: INCHIKEY AKRUYPJUAZTDLQ-XAIZWMDNSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1073
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 17.063 min
+MS$FOCUSED_ION: BASE_PEAK 1031.5193
+MS$FOCUSED_ION: PRECURSOR_M/Z 1031.5197
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-06tr-1920000000-d1e2c43937dd42a76c9a
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  56.0495 C3H6N+ 1 56.0495 0.46
+  70.0652 C4H8N+ 1 70.0651 0.59
+  84.0446 C4H6NO+ 1 84.0444 2.83
+  91.0546 C7H7+ 1 91.0542 3.83
+  93.0699 C7H9+ 1 93.0699 0.75
+  103.0545 C8H7+ 1 103.0542 2.39
+  105.07 C8H9+ 1 105.0699 0.79
+  107.0856 C8H11+ 1 107.0855 0.38
+  112.087 C5H10N3+ 1 112.0869 0.5
+  113.071 C5H9N2O+ 1 113.0709 0.35
+  115.0866 C5H11N2O+ 1 115.0866 0.29
+  117.0699 C9H9+ 1 117.0699 0.52
+  124.1124 C8H14N+ 1 124.1121 2.99
+  127.0866 C6H11N2O+ 1 127.0866 -0.19
+  130.0503 C5H8NO3+ 1 130.0499 2.94
+  135.0804 C9H11O+ 1 135.0804 -0.04
+  135.1167 C10H15+ 1 135.1168 -1.12
+  136.0755 C8H10NO+ 1 136.0757 -1.5
+  155.0813 C7H11N2O2+ 1 155.0815 -1.52
+  161.096 C11H13O+ 1 161.0961 -0.59
+  163.1115 C11H15O+ 1 163.1117 -1.5
+  167.0813 C8H11N2O2+ 1 167.0815 -1.08
+  172.1088 C7H14N3O2+ 2 172.1081 4.63
+  175.1187 C6H15N4O2+ 1 175.119 -1.3
+  195.0759 C9H11N2O3+ 2 195.0764 -2.52
+  205.0976 C11H13N2O2+ 1 205.0972 2.12
+  211.118 C8H19O6+ 3 211.1176 1.78
+  213.0863 C7H11N5O3+ 2 213.0856 2.87
+  228.1449 C9H18N5O2+ 3 228.1455 -2.68
+  251.1027 C12H15N2O4+ 1 251.1026 0.13
+  294.1561 C13H20N5O3+ 4 294.1561 -0.04
+  311.1825 C12H27N2O7+ 4 311.1813 3.84
+  329.1932 C12H29N2O8+ 5 329.1918 3.99
+PK$NUM_PEAK: 33
+PK$PEAK: m/z int. rel.int.
+  56.0495 157693.6 57
+  70.0652 946337.3 345
+  84.0446 34579.7 12
+  91.0546 106947.3 39
+  93.0699 179846.1 65
+  103.0545 95755.3 34
+  105.07 191226.6 69
+  107.0856 1043366.2 380
+  112.087 637715.9 232
+  113.071 177309.9 64
+  115.0866 253478.1 92
+  117.0699 85145 31
+  124.1124 102115.8 37
+  127.0866 1488181.4 543
+  130.0503 71578.6 26
+  135.0804 2736811.5 999
+  135.1167 1119367 408
+  136.0755 277666.8 101
+  155.0813 1019281 372
+  161.096 86816.5 31
+  163.1115 701518.4 256
+  167.0813 261561.5 95
+  172.1088 95521.4 34
+  175.1187 336996.7 123
+  195.0759 255297.9 93
+  205.0976 58508.3 21
+  211.118 281997.7 102
+  213.0863 1400586.8 511
+  228.1449 87717.9 32
+  251.1027 311113.4 113
+  294.1561 644080.8 235
+  311.1825 378474.2 138
+  329.1932 714169.7 260
+//
diff --git a/Eawag/MSBNK-EAWAG-EC189506.txt b/Eawag/MSBNK-EAWAG-EC189506.txt
new file mode 100644
index 0000000000..01386eeb96
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC189506.txt
@@ -0,0 +1,131 @@
+ACCESSION: MSBNK-EAWAG-EC189506
+RECORD_TITLE: [D-Asp3]MC-RY; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], A. Ballot [dtc], A. Dax [com] * Tentative, please confirm before release
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1895
+CH$NAME: [D-Asp3]MC-RY
+CH$NAME: (5R,8S,11R,15S,18S,19S,22R)-8-[3-(diaminomethylideneamino)propyl]-15-[(4-hydroxyphenyl)methyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,19-trimethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C51H70N10O13
+CH$EXACT_MASS: 1030.512382
+CH$SMILES: O=C(N(C)C(C(N[C@@H](C1=O)C)=O)=C)CC[C@H](C(O)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CC3=CC=C(O)C=C3)NC(C[C@H](C(O)=O)NC([C@@H](N1)CCCNC(N)=N)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C51H70N10O13/c1-28(24-29(2)41(74-7)26-33-12-9-8-10-13-33)15-20-36-30(3)44(65)59-38(49(70)71)21-22-43(64)61(6)32(5)46(67)55-31(4)45(66)58-37(14-11-23-54-51(52)53)47(68)60-40(50(72)73)27-42(63)56-39(48(69)57-36)25-34-16-18-35(62)19-17-34/h8-10,12-13,15-20,24,29-31,36-41,62H,5,11,14,21-23,25-27H2,1-4,6-7H3,(H,55,67)(H,56,63)(H,57,69)(H,58,66)(H,59,65)(H,60,68)(H,70,71)(H,72,73)(H4,52,53,54)/b20-15+,28-24+/t29-,30-,31+,36-,37-,38+,39-,40+,41-/m0/s1
+CH$LINK: PUBCHEM CID:155801630
+CH$LINK: INCHIKEY AKRUYPJUAZTDLQ-XAIZWMDNSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1073
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 17.063 min
+MS$FOCUSED_ION: BASE_PEAK 1031.5193
+MS$FOCUSED_ION: PRECURSOR_M/Z 1031.5197
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0550-1900000000-31a060df1303bc71d8b2
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  56.0495 C3H6N+ 1 56.0495 0.26
+  60.0558 CH6N3+ 1 60.0556 2.15
+  70.0652 C4H8N+ 1 70.0651 0.91
+  79.0543 C6H7+ 1 79.0542 0.69
+  82.0654 C5H8N+ 1 82.0651 3.49
+  84.0446 C4H6NO+ 1 84.0444 3.01
+  91.0544 C7H7+ 1 91.0542 1.48
+  93.07 C7H9+ 1 93.0699 1.08
+  99.0918 C5H11N2+ 1 99.0917 1.07
+  103.0542 C8H7+ 1 103.0542 -0.2
+  105.0699 C8H9+ 1 105.0699 0.43
+  107.0856 C8H11+ 1 107.0855 0.53
+  112.087 C5H10N3+ 1 112.0869 0.37
+  113.0711 C5H9N2O+ 1 113.0709 1.03
+  115.0867 C5H11N2O+ 1 115.0866 0.63
+  116.0707 C5H10NO2+ 1 116.0706 0.92
+  117.0699 C9H9+ 1 117.0699 0.33
+  120.0809 C8H10N+ 1 120.0808 0.92
+  124.1122 C8H14N+ 1 124.1121 0.84
+  127.0866 C6H11N2O+ 1 127.0866 0.05
+  130.05 C5H8NO3+ 1 130.0499 0.83
+  131.0854 C10H11+ 1 131.0855 -1.3
+  135.0804 C9H11O+ 1 135.0804 -0.26
+  135.1166 C10H15+ 1 135.1168 -1.57
+  136.0755 C8H10NO+ 1 136.0757 -1.39
+  138.0549 C7H8NO2+ 1 138.055 -0.28
+  139.0865 C7H11N2O+ 1 139.0866 -0.95
+  149.0709 C8H9N2O+ 1 149.0709 -0.38
+  150.103 C8H12N3+ 1 150.1026 2.59
+  152.0703 C8H10NO2+ 1 152.0706 -2.25
+  155.0813 C7H11N2O2+ 1 155.0815 -1.42
+  158.0926 C6H12N3O2+ 1 158.0924 1
+  163.1115 C11H15O+ 1 163.1117 -1.32
+  167.0812 C8H11N2O2+ 1 167.0815 -1.54
+  168.0647 C6H8N4O2+ 2 168.0642 3.37
+  175.1184 C6H15N4O2+ 3 175.119 -3.05
+  183.1232 C7H19O5+ 3 183.1227 2.91
+  195.0756 C9H11N2O3+ 2 195.0764 -4.01
+  196.0599 C9H10NO4+ 2 196.0604 -2.66
+  212.1021 C9H14N3O3+ 2 212.103 -4
+  213.0862 C7H11N5O3+ 2 213.0856 2.58
+  218.1532 C12H18N4+ 2 218.1526 2.74
+  226.1583 CH26N2O10+ 3 226.1582 0.33
+  238.1202 C13H18O4+ 2 238.12 1.16
+  294.1564 C13H20N5O3+ 2 294.1561 1
+PK$NUM_PEAK: 45
+PK$PEAK: m/z int. rel.int.
+  56.0495 452051.5 113
+  60.0558 76898.9 19
+  70.0652 2085661.9 525
+  79.0543 108194.8 27
+  82.0654 97598.3 24
+  84.0446 156657.7 39
+  91.0544 309915.8 78
+  93.07 437912.3 110
+  99.0918 136150.1 34
+  103.0542 564877.8 142
+  105.0699 820237.9 206
+  107.0856 2072872.2 521
+  112.087 859203.8 216
+  113.0711 236483.9 59
+  115.0867 364522.7 91
+  116.0707 74735.5 18
+  117.0699 390910.4 98
+  120.0809 111073.8 27
+  124.1122 110801.2 27
+  127.0866 3826828.5 963
+  130.05 105279.9 26
+  131.0854 98652.1 24
+  135.0804 3967708 999
+  135.1166 1556888.6 391
+  136.0755 787985.2 198
+  138.0549 206816.6 52
+  139.0865 62041.3 15
+  149.0709 83715 21
+  150.103 49073.3 12
+  152.0703 43952.1 11
+  155.0813 967458.1 243
+  158.0926 208208.5 52
+  163.1115 463337.3 116
+  167.0812 511708.8 128
+  168.0647 95800.4 24
+  175.1184 344136.6 86
+  183.1232 105238.7 26
+  195.0756 317891.4 80
+  196.0599 105642 26
+  212.1021 92300.6 23
+  213.0862 1402708.5 353
+  218.1532 102302.1 25
+  226.1583 109945.4 27
+  238.1202 177990.3 44
+  294.1564 245669.2 61
+//
diff --git a/Eawag/MSBNK-EAWAG-EC189507.txt b/Eawag/MSBNK-EAWAG-EC189507.txt
new file mode 100644
index 0000000000..fa9012af86
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC189507.txt
@@ -0,0 +1,155 @@
+ACCESSION: MSBNK-EAWAG-EC189507
+RECORD_TITLE: [D-Asp3]MC-RY; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], A. Ballot [dtc], A. Dax [com] * Tentative, please confirm before release
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1895
+CH$NAME: [D-Asp3]MC-RY
+CH$NAME: (5R,8S,11R,15S,18S,19S,22R)-8-[3-(diaminomethylideneamino)propyl]-15-[(4-hydroxyphenyl)methyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,19-trimethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C51H70N10O13
+CH$EXACT_MASS: 1030.512382
+CH$SMILES: O=C(N(C)C(C(N[C@@H](C1=O)C)=O)=C)CC[C@H](C(O)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CC3=CC=C(O)C=C3)NC(C[C@H](C(O)=O)NC([C@@H](N1)CCCNC(N)=N)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C51H70N10O13/c1-28(24-29(2)41(74-7)26-33-12-9-8-10-13-33)15-20-36-30(3)44(65)59-38(49(70)71)21-22-43(64)61(6)32(5)46(67)55-31(4)45(66)58-37(14-11-23-54-51(52)53)47(68)60-40(50(72)73)27-42(63)56-39(48(69)57-36)25-34-16-18-35(62)19-17-34/h8-10,12-13,15-20,24,29-31,36-41,62H,5,11,14,21-23,25-27H2,1-4,6-7H3,(H,55,67)(H,56,63)(H,57,69)(H,58,66)(H,59,65)(H,60,68)(H,70,71)(H,72,73)(H4,52,53,54)/b20-15+,28-24+/t29-,30-,31+,36-,37-,38+,39-,40+,41-/m0/s1
+CH$LINK: PUBCHEM CID:155801630
+CH$LINK: INCHIKEY AKRUYPJUAZTDLQ-XAIZWMDNSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1073
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 17.063 min
+MS$FOCUSED_ION: BASE_PEAK 1031.5193
+MS$FOCUSED_ION: PRECURSOR_M/Z 1031.5197
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0adr-2900000000-1dc048e70b17de0e21b3
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  56.0495 C3H6N+ 1 56.0495 0.6
+  60.0555 CH6N3+ 1 60.0556 -1.41
+  69.0334 C4H5O+ 1 69.0335 -0.98
+  70.0652 C4H8N+ 1 70.0651 0.8
+  71.0492 C4H7O+ 1 71.0491 0.43
+  79.0543 C6H7+ 1 79.0542 0.78
+  82.0287 C4H4NO+ 1 82.0287 -0.96
+  82.0653 C5H8N+ 1 82.0651 2.01
+  84.0445 C4H6NO+ 1 84.0444 0.83
+  91.0542 C7H7+ 1 91.0542 -0.11
+  93.0699 C7H9+ 1 93.0699 0.75
+  95.0604 C5H7N2+ 1 95.0604 0.02
+  95.0857 C7H11+ 1 95.0855 1.57
+  97.076 C5H9N2+ 1 97.076 0.24
+  99.0917 C5H11N2+ 1 99.0917 0.14
+  103.0543 C8H7+ 1 103.0542 0.54
+  105.0699 C8H9+ 1 105.0699 0.5
+  107.0856 C8H11+ 1 107.0855 0.6
+  110.0601 C6H8NO+ 1 110.06 0.47
+  112.087 C5H10N3+ 1 112.0869 0.91
+  113.0708 C5H9N2O+ 1 113.0709 -1.47
+  114.1026 C5H12N3+ 1 114.1026 -0.03
+  115.0543 C9H7+ 1 115.0542 0.42
+  115.0867 C5H11N2O+ 1 115.0866 0.96
+  117.07 C9H9+ 1 117.0699 1.04
+  119.0856 C9H11+ 1 119.0855 0.56
+  124.0757 C7H10NO+ 1 124.0757 0.18
+  124.112 C8H14N+ 1 124.1121 -0.39
+  127.0866 C6H11N2O+ 1 127.0866 0.17
+  130.0499 C5H8NO3+ 1 130.0499 0.01
+  131.0852 C10H11+ 1 131.0855 -2.11
+  133.101 C10H13+ 1 133.1012 -1.44
+  135.0804 C9H11O+ 1 135.0804 -0.15
+  135.1166 C10H15+ 1 135.1168 -1.35
+  136.0757 C8H10NO+ 1 136.0757 0.07
+  138.0549 C7H8NO2+ 1 138.055 -0.5
+  139.0865 C7H11N2O+ 1 139.0866 -0.29
+  140.082 C6H10N3O+ 1 140.0818 0.95
+  141.1019 C7H13N2O+ 1 141.1022 -2.42
+  145.101 C11H13+ 1 145.1012 -0.98
+  146.06 C9H8NO+ 1 146.06 -0.23
+  151.0866 C8H11N2O+ 1 151.0866 -0.25
+  155.0811 C7H11N2O2+ 1 155.0815 -2.4
+  157.108 C6H13N4O+ 1 157.1084 -2.58
+  158.0924 C6H12N3O2+ 1 158.0924 -0.06
+  163.1116 C11H15O+ 1 163.1117 -0.66
+  164.0822 C8H10N3O+ 1 164.0818 2.05
+  167.0811 C8H11N2O2+ 1 167.0815 -2.27
+  168.0647 C6H8N4O2+ 2 168.0642 3.19
+  175.1184 C6H15N4O2+ 3 175.119 -3.39
+  183.1235 C7H19O5+ 3 183.1227 4.58
+  195.0762 C9H11N2O3+ 1 195.0764 -0.88
+  196.0604 C9H10NO4+ 1 196.0604 0.06
+  211.1184 C8H19O6+ 3 211.1176 3.58
+  212.103 C9H14N3O3+ 1 212.103 0.18
+  213.0862 C7H11N5O3+ 2 213.0856 2.58
+  238.1206 C13H18O4+ 4 238.12 2.89
+PK$NUM_PEAK: 57
+PK$PEAK: m/z int. rel.int.
+  56.0495 1055939 230
+  60.0555 157624 34
+  69.0334 102334.9 22
+  70.0652 2985642.2 652
+  71.0492 50546.9 11
+  79.0543 222368 48
+  82.0287 139577.3 30
+  82.0653 145902.3 31
+  84.0445 295478.5 64
+  91.0542 608954.7 133
+  93.0699 708533.9 154
+  95.0604 124915.8 27
+  95.0857 76219.9 16
+  97.076 94612.5 20
+  99.0917 353126.4 77
+  103.0543 1652004.1 360
+  105.0699 1507019.2 329
+  107.0856 2589439.2 565
+  110.0601 94900.1 20
+  112.087 782652.2 170
+  113.0708 193719.8 42
+  114.1026 85086.4 18
+  115.0543 159670.5 34
+  115.0867 299906.9 65
+  117.07 719387.6 157
+  119.0856 114660.5 25
+  124.0757 89654.2 19
+  124.112 81242 17
+  127.0866 4573486 999
+  130.0499 145806.1 31
+  131.0852 139592.6 30
+  133.101 69026.6 15
+  135.0804 3002623.8 655
+  135.1166 1035791.3 226
+  136.0757 918524.2 200
+  138.0549 225612.5 49
+  139.0865 104463.1 22
+  140.082 78800.1 17
+  141.1019 81851.9 17
+  145.101 73124.6 15
+  146.06 48425.4 10
+  151.0866 83479.1 18
+  155.0811 552887 120
+  157.108 45932.3 10
+  158.0924 173910.8 37
+  163.1116 234344.4 51
+  164.0822 48884.6 10
+  167.0811 704989.5 153
+  168.0647 142302.8 31
+  175.1184 152207.8 33
+  183.1235 113227.6 24
+  195.0762 323563.8 70
+  196.0604 127879.3 27
+  211.1184 178855.2 39
+  212.103 77963.2 17
+  213.0862 728546.8 159
+  238.1206 101619.8 22
+//
diff --git a/Eawag/MSBNK-EAWAG-EC189508.txt b/Eawag/MSBNK-EAWAG-EC189508.txt
new file mode 100644
index 0000000000..1cb1a84e95
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC189508.txt
@@ -0,0 +1,145 @@
+ACCESSION: MSBNK-EAWAG-EC189508
+RECORD_TITLE: [D-Asp3]MC-RY; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], A. Ballot [dtc], A. Dax [com] * Tentative, please confirm before release
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1895
+CH$NAME: [D-Asp3]MC-RY
+CH$NAME: (5R,8S,11R,15S,18S,19S,22R)-8-[3-(diaminomethylideneamino)propyl]-15-[(4-hydroxyphenyl)methyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,19-trimethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C51H70N10O13
+CH$EXACT_MASS: 1030.512382
+CH$SMILES: O=C(N(C)C(C(N[C@@H](C1=O)C)=O)=C)CC[C@H](C(O)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CC3=CC=C(O)C=C3)NC(C[C@H](C(O)=O)NC([C@@H](N1)CCCNC(N)=N)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C51H70N10O13/c1-28(24-29(2)41(74-7)26-33-12-9-8-10-13-33)15-20-36-30(3)44(65)59-38(49(70)71)21-22-43(64)61(6)32(5)46(67)55-31(4)45(66)58-37(14-11-23-54-51(52)53)47(68)60-40(50(72)73)27-42(63)56-39(48(69)57-36)25-34-16-18-35(62)19-17-34/h8-10,12-13,15-20,24,29-31,36-41,62H,5,11,14,21-23,25-27H2,1-4,6-7H3,(H,55,67)(H,56,63)(H,57,69)(H,58,66)(H,59,65)(H,60,68)(H,70,71)(H,72,73)(H4,52,53,54)/b20-15+,28-24+/t29-,30-,31+,36-,37-,38+,39-,40+,41-/m0/s1
+CH$LINK: PUBCHEM CID:155801630
+CH$LINK: INCHIKEY AKRUYPJUAZTDLQ-XAIZWMDNSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1073
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 17.063 min
+MS$FOCUSED_ION: BASE_PEAK 1031.5193
+MS$FOCUSED_ION: PRECURSOR_M/Z 1031.5197
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0adi-4900000000-28d7dfdb85b8d1a64028
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  56.0495 C3H6N+ 1 56.0495 0.26
+  60.0557 CH6N3+ 1 60.0556 1.39
+  69.0335 C4H5O+ 1 69.0335 0.13
+  70.0652 C4H8N+ 1 70.0651 0.69
+  77.0387 C6H5+ 1 77.0386 1.25
+  79.0543 C6H7+ 1 79.0542 1.17
+  82.0289 C4H4NO+ 1 82.0287 1.92
+  82.0653 C5H8N+ 1 82.0651 2.01
+  84.0445 C4H6NO+ 1 84.0444 1.47
+  85.0283 C4H5O2+ 1 85.0284 -0.92
+  91.0543 C7H7+ 1 91.0542 0.56
+  93.0699 C7H9+ 1 93.0699 0.67
+  94.0651 C6H8N+ 1 94.0651 0.06
+  95.0494 C6H7O+ 1 95.0491 2.46
+  95.0605 C5H7N2+ 1 95.0604 1.47
+  96.0805 C6H10N+ 1 96.0808 -2.44
+  97.0762 C5H9N2+ 1 97.076 1.42
+  99.0917 C5H11N2+ 1 99.0917 0.6
+  103.0543 C8H7+ 1 103.0542 0.32
+  105.0699 C8H9+ 1 105.0699 0.5
+  107.0856 C8H11+ 1 107.0855 0.38
+  109.065 C7H9O+ 1 109.0648 2
+  110.0603 C6H8NO+ 1 110.06 2.34
+  112.0391 C5H6NO2+ 1 112.0393 -1.44
+  112.0869 C5H10N3+ 1 112.0869 -0.04
+  113.0709 C5H9N2O+ 1 113.0709 -0.19
+  115.0543 C9H7+ 1 115.0542 0.35
+  115.0865 C5H11N2O+ 1 115.0866 -0.7
+  116.0708 C5H10NO2+ 1 116.0706 1.52
+  117.0699 C9H9+ 1 117.0699 0.52
+  119.0491 C8H7O+ 1 119.0491 -0.59
+  120.0808 C8H10N+ 1 120.0808 0.41
+  123.0914 C7H11N2+ 1 123.0917 -2.02
+  125.071 C6H9N2O+ 1 125.0709 0.37
+  127.0866 C6H11N2O+ 1 127.0866 0.05
+  130.0499 C5H8NO3+ 1 130.0499 0.36
+  131.0854 C10H11+ 1 131.0855 -1.3
+  135.0804 C9H11O+ 1 135.0804 -0.04
+  135.1166 C10H15+ 1 135.1168 -1.35
+  136.0756 C8H10NO+ 1 136.0757 -0.94
+  138.0549 C7H8NO2+ 1 138.055 -0.5
+  139.0866 C7H11N2O+ 1 139.0866 -0.07
+  149.0711 C8H9N2O+ 1 149.0709 0.95
+  151.0866 C8H11N2O+ 1 151.0866 0.15
+  155.0811 C7H11N2O2+ 1 155.0815 -2.3
+  158.0927 C6H12N3O2+ 1 158.0924 1.77
+  163.1114 C11H15O+ 1 163.1117 -1.88
+  167.0812 C8H11N2O2+ 1 167.0815 -2
+  175.1185 C6H15N4O2+ 1 175.119 -2.52
+  195.0759 C9H11N2O3+ 2 195.0764 -2.76
+  211.1179 C8H19O6+ 2 211.1176 1.27
+  213.0856 C7H11N5O3+ 1 213.0856 -0.14
+PK$NUM_PEAK: 52
+PK$PEAK: m/z int. rel.int.
+  56.0495 1525412.1 443
+  60.0557 114368.6 33
+  69.0335 67313.6 19
+  70.0652 3241879.8 941
+  77.0387 135492.8 39
+  79.0543 387017.5 112
+  82.0289 173172.3 50
+  82.0653 257329.5 74
+  84.0445 392558.8 114
+  85.0283 69667.2 20
+  91.0543 978474.5 284
+  93.0699 608569.2 176
+  94.0651 67490.2 19
+  95.0494 202878.3 58
+  95.0605 117305.6 34
+  96.0805 47431.7 13
+  97.0762 119311.7 34
+  99.0917 477126.5 138
+  103.0543 2487819 722
+  105.0699 1699297.5 493
+  107.0856 1922940 558
+  109.065 105543.8 30
+  110.0603 87743.8 25
+  112.0391 65512.9 19
+  112.0869 531675.1 154
+  113.0709 112577.9 32
+  115.0543 283973.2 82
+  115.0865 201663.2 58
+  116.0708 107800.9 31
+  117.0699 593536.2 172
+  119.0491 105451.4 30
+  120.0808 115770.1 33
+  123.0914 71457.1 20
+  125.071 64882.8 18
+  127.0866 3438654.5 999
+  130.0499 111457.2 32
+  131.0854 98291.3 28
+  135.0804 1312048.5 381
+  135.1166 437453.6 127
+  136.0756 766499.2 222
+  138.0549 101715.5 29
+  139.0866 112327.1 32
+  149.0711 168161.7 48
+  151.0866 97092.7 28
+  155.0811 172820.8 50
+  158.0927 73385.8 21
+  163.1114 58688.5 17
+  167.0812 548461.2 159
+  175.1185 52977.3 15
+  195.0759 215754 62
+  211.1179 74285 21
+  213.0856 270241.7 78
+//
diff --git a/Eawag/MSBNK-EAWAG-EC189509.txt b/Eawag/MSBNK-EAWAG-EC189509.txt
new file mode 100644
index 0000000000..a9cda49882
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC189509.txt
@@ -0,0 +1,141 @@
+ACCESSION: MSBNK-EAWAG-EC189509
+RECORD_TITLE: [D-Asp3]MC-RY; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], A. Ballot [dtc], A. Dax [com] * Tentative, please confirm before release
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1895
+CH$NAME: [D-Asp3]MC-RY
+CH$NAME: (5R,8S,11R,15S,18S,19S,22R)-8-[3-(diaminomethylideneamino)propyl]-15-[(4-hydroxyphenyl)methyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,19-trimethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C51H70N10O13
+CH$EXACT_MASS: 1030.512382
+CH$SMILES: O=C(N(C)C(C(N[C@@H](C1=O)C)=O)=C)CC[C@H](C(O)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CC3=CC=C(O)C=C3)NC(C[C@H](C(O)=O)NC([C@@H](N1)CCCNC(N)=N)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C51H70N10O13/c1-28(24-29(2)41(74-7)26-33-12-9-8-10-13-33)15-20-36-30(3)44(65)59-38(49(70)71)21-22-43(64)61(6)32(5)46(67)55-31(4)45(66)58-37(14-11-23-54-51(52)53)47(68)60-40(50(72)73)27-42(63)56-39(48(69)57-36)25-34-16-18-35(62)19-17-34/h8-10,12-13,15-20,24,29-31,36-41,62H,5,11,14,21-23,25-27H2,1-4,6-7H3,(H,55,67)(H,56,63)(H,57,69)(H,58,66)(H,59,65)(H,60,68)(H,70,71)(H,72,73)(H4,52,53,54)/b20-15+,28-24+/t29-,30-,31+,36-,37-,38+,39-,40+,41-/m0/s1
+CH$LINK: PUBCHEM CID:155801630
+CH$LINK: INCHIKEY AKRUYPJUAZTDLQ-XAIZWMDNSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1073
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 17.063 min
+MS$FOCUSED_ION: BASE_PEAK 1031.5193
+MS$FOCUSED_ION: PRECURSOR_M/Z 1031.5197
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0pk9-7900000000-a9ed14c92f1381064628
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  55.0541 C4H7+ 1 55.0542 -1.89
+  56.0495 C3H6N+ 1 56.0495 -0.02
+  58.0652 C3H8N+ 1 58.0651 1.28
+  60.0557 CH6N3+ 1 60.0556 1.45
+  68.0494 C4H6N+ 1 68.0495 -1.06
+  70.0651 C4H8N+ 1 70.0651 0.26
+  77.0386 C6H5+ 1 77.0386 0.16
+  79.0542 C6H7+ 1 79.0542 0.21
+  80.0493 C5H6N+ 1 80.0495 -1.79
+  82.0287 C4H4NO+ 1 82.0287 -0.22
+  82.0652 C5H8N+ 1 82.0651 0.52
+  84.0445 C4H6NO+ 1 84.0444 0.92
+  85.0284 C4H5O2+ 1 85.0284 0.24
+  85.076 C4H9N2+ 1 85.076 -0.34
+  86.0602 C4H8NO+ 1 86.06 2.26
+  91.0542 C7H7+ 1 91.0542 0.14
+  93.0699 C7H9+ 1 93.0699 0.5
+  94.0651 C6H8N+ 1 94.0651 -0.27
+  95.0493 C6H7O+ 1 95.0491 1.58
+  95.0606 C5H7N2+ 1 95.0604 1.87
+  97.0763 C5H9N2+ 1 97.076 2.6
+  98.0601 C5H8NO+ 1 98.06 0.25
+  99.0917 C5H11N2+ 1 99.0917 0.37
+  103.0542 C8H7+ 1 103.0542 -0.13
+  105.0699 C8H9+ 1 105.0699 0.14
+  107.0493 C7H7O+ 1 107.0491 1.32
+  107.0855 C8H11+ 1 107.0855 -0.04
+  109.065 C7H9O+ 1 109.0648 2.35
+  110.0601 C6H8NO+ 1 110.06 0.26
+  112.0868 C5H10N3+ 1 112.0869 -1.13
+  113.0236 C5H5O3+ 1 113.0233 2.21
+  113.0708 C5H9N2O+ 1 113.0709 -1.13
+  115.0543 C9H7+ 1 115.0542 0.48
+  115.0866 C5H11N2O+ 1 115.0866 0.36
+  117.0699 C9H9+ 1 117.0699 0.59
+  119.049 C8H7O+ 1 119.0491 -0.78
+  119.0855 C9H11+ 1 119.0855 -0.08
+  120.0571 C8H8O+ 1 120.057 0.91
+  121.076 C7H9N2+ 1 121.076 0.08
+  123.0915 C7H11N2+ 1 123.0917 -1.09
+  125.0707 C6H9N2O+ 1 125.0709 -1.76
+  127.0866 C6H11N2O+ 1 127.0866 -0.07
+  135.0804 C9H11O+ 1 135.0804 -0.6
+  135.1166 C10H15+ 1 135.1168 -1.46
+  136.0755 C8H10NO+ 1 136.0757 -1.73
+  139.0864 C7H11N2O+ 1 139.0866 -1.06
+  149.0705 C8H9N2O+ 1 149.0709 -2.94
+  164.0815 C8H10N3O+ 1 164.0818 -2.32
+  167.0813 C8H11N2O2+ 1 167.0815 -1.36
+  213.0866 C7H11N5O3+ 2 213.0856 4.52
+PK$NUM_PEAK: 50
+PK$PEAK: m/z int. rel.int.
+  55.0541 70463.1 18
+  56.0495 2037177.2 545
+  58.0652 64334.4 17
+  60.0557 91051.7 24
+  68.0494 105202.3 28
+  70.0651 3307794.8 886
+  77.0386 190663.2 51
+  79.0542 551972.7 147
+  80.0493 90326.9 24
+  82.0287 202053.1 54
+  82.0652 369938.8 99
+  84.0445 505843.5 135
+  85.0284 82681.4 22
+  85.076 59703.4 16
+  86.0602 85615.3 22
+  91.0542 1433433.6 384
+  93.0699 549564.4 147
+  94.0651 79416.3 21
+  95.0493 399837.9 107
+  95.0606 212091.2 56
+  97.0763 169374.4 45
+  98.0601 105576.4 28
+  99.0917 457792.8 122
+  103.0542 3727633 999
+  105.0699 1785531.8 478
+  107.0493 103179.2 27
+  107.0855 1559110.1 417
+  109.065 155229.7 41
+  110.0601 111677.5 29
+  112.0868 374163.3 100
+  113.0236 152904.8 40
+  113.0708 65908.2 17
+  115.0543 357533 95
+  115.0866 129876.7 34
+  117.0699 537277.5 143
+  119.049 177711.7 47
+  119.0855 95625.5 25
+  120.0571 70603 18
+  121.076 129878.8 34
+  123.0915 78902.5 21
+  125.0707 99614.2 26
+  127.0866 2356741.5 631
+  135.0804 594851.2 159
+  135.1166 178166.8 47
+  136.0755 557375.4 149
+  139.0864 83744 22
+  149.0705 181701.7 48
+  164.0815 52244.2 14
+  167.0813 356635.2 95
+  213.0866 44105.2 11
+//
diff --git a/Eawag/MSBNK-EAWAG-EC189551.txt b/Eawag/MSBNK-EAWAG-EC189551.txt
new file mode 100644
index 0000000000..75aa2661ba
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC189551.txt
@@ -0,0 +1,43 @@
+ACCESSION: MSBNK-EAWAG-EC189551
+RECORD_TITLE: [D-Asp3]MC-RY; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], A. Ballot [dtc], A. Dax [com] * Tentative, please confirm before release
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1895
+CH$NAME: [D-Asp3]MC-RY
+CH$NAME: (5R,8S,11R,15S,18S,19S,22R)-8-[3-(diaminomethylideneamino)propyl]-15-[(4-hydroxyphenyl)methyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,19-trimethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C51H70N10O13
+CH$EXACT_MASS: 1030.512382
+CH$SMILES: O=C(N(C)C(C(N[C@@H](C1=O)C)=O)=C)CC[C@H](C(O)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CC3=CC=C(O)C=C3)NC(C[C@H](C(O)=O)NC([C@@H](N1)CCCNC(N)=N)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C51H70N10O13/c1-28(24-29(2)41(74-7)26-33-12-9-8-10-13-33)15-20-36-30(3)44(65)59-38(49(70)71)21-22-43(64)61(6)32(5)46(67)55-31(4)45(66)58-37(14-11-23-54-51(52)53)47(68)60-40(50(72)73)27-42(63)56-39(48(69)57-36)25-34-16-18-35(62)19-17-34/h8-10,12-13,15-20,24,29-31,36-41,62H,5,11,14,21-23,25-27H2,1-4,6-7H3,(H,55,67)(H,56,63)(H,57,69)(H,58,66)(H,59,65)(H,60,68)(H,70,71)(H,72,73)(H4,52,53,54)/b20-15+,28-24+/t29-,30-,31+,36-,37-,38+,39-,40+,41-/m0/s1
+CH$LINK: PUBCHEM CID:155801630
+CH$LINK: INCHIKEY AKRUYPJUAZTDLQ-XAIZWMDNSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1071
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 17.076 min
+MS$FOCUSED_ION: BASE_PEAK 1029.5051
+MS$FOCUSED_ION: PRECURSOR_M/Z 1029.5051
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-004i-9000000000-d4f7a1889f96dbf91833
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  1029.5043 C51H69N10O13- 1 1029.5051 -0.83
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  1029.5043 5237289 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC189552.txt b/Eawag/MSBNK-EAWAG-EC189552.txt
new file mode 100644
index 0000000000..9cadbf4be2
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC189552.txt
@@ -0,0 +1,43 @@
+ACCESSION: MSBNK-EAWAG-EC189552
+RECORD_TITLE: [D-Asp3]MC-RY; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], A. Ballot [dtc], A. Dax [com] * Tentative, please confirm before release
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1895
+CH$NAME: [D-Asp3]MC-RY
+CH$NAME: (5R,8S,11R,15S,18S,19S,22R)-8-[3-(diaminomethylideneamino)propyl]-15-[(4-hydroxyphenyl)methyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,19-trimethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C51H70N10O13
+CH$EXACT_MASS: 1030.512382
+CH$SMILES: O=C(N(C)C(C(N[C@@H](C1=O)C)=O)=C)CC[C@H](C(O)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CC3=CC=C(O)C=C3)NC(C[C@H](C(O)=O)NC([C@@H](N1)CCCNC(N)=N)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C51H70N10O13/c1-28(24-29(2)41(74-7)26-33-12-9-8-10-13-33)15-20-36-30(3)44(65)59-38(49(70)71)21-22-43(64)61(6)32(5)46(67)55-31(4)45(66)58-37(14-11-23-54-51(52)53)47(68)60-40(50(72)73)27-42(63)56-39(48(69)57-36)25-34-16-18-35(62)19-17-34/h8-10,12-13,15-20,24,29-31,36-41,62H,5,11,14,21-23,25-27H2,1-4,6-7H3,(H,55,67)(H,56,63)(H,57,69)(H,58,66)(H,59,65)(H,60,68)(H,70,71)(H,72,73)(H4,52,53,54)/b20-15+,28-24+/t29-,30-,31+,36-,37-,38+,39-,40+,41-/m0/s1
+CH$LINK: PUBCHEM CID:155801630
+CH$LINK: INCHIKEY AKRUYPJUAZTDLQ-XAIZWMDNSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1071
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 17.076 min
+MS$FOCUSED_ION: BASE_PEAK 1029.5051
+MS$FOCUSED_ION: PRECURSOR_M/Z 1029.5051
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-004i-9000000000-5a061c39f06a0656ae62
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  1029.5045 C51H69N10O13- 1 1029.5051 -0.59
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  1029.5045 3626062.5 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC189553.txt b/Eawag/MSBNK-EAWAG-EC189553.txt
new file mode 100644
index 0000000000..00a9188710
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC189553.txt
@@ -0,0 +1,45 @@
+ACCESSION: MSBNK-EAWAG-EC189553
+RECORD_TITLE: [D-Asp3]MC-RY; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], A. Ballot [dtc], A. Dax [com] * Tentative, please confirm before release
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1895
+CH$NAME: [D-Asp3]MC-RY
+CH$NAME: (5R,8S,11R,15S,18S,19S,22R)-8-[3-(diaminomethylideneamino)propyl]-15-[(4-hydroxyphenyl)methyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,19-trimethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C51H70N10O13
+CH$EXACT_MASS: 1030.512382
+CH$SMILES: O=C(N(C)C(C(N[C@@H](C1=O)C)=O)=C)CC[C@H](C(O)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CC3=CC=C(O)C=C3)NC(C[C@H](C(O)=O)NC([C@@H](N1)CCCNC(N)=N)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C51H70N10O13/c1-28(24-29(2)41(74-7)26-33-12-9-8-10-13-33)15-20-36-30(3)44(65)59-38(49(70)71)21-22-43(64)61(6)32(5)46(67)55-31(4)45(66)58-37(14-11-23-54-51(52)53)47(68)60-40(50(72)73)27-42(63)56-39(48(69)57-36)25-34-16-18-35(62)19-17-34/h8-10,12-13,15-20,24,29-31,36-41,62H,5,11,14,21-23,25-27H2,1-4,6-7H3,(H,55,67)(H,56,63)(H,57,69)(H,58,66)(H,59,65)(H,60,68)(H,70,71)(H,72,73)(H4,52,53,54)/b20-15+,28-24+/t29-,30-,31+,36-,37-,38+,39-,40+,41-/m0/s1
+CH$LINK: PUBCHEM CID:155801630
+CH$LINK: INCHIKEY AKRUYPJUAZTDLQ-XAIZWMDNSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1071
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 17.076 min
+MS$FOCUSED_ION: BASE_PEAK 1029.5051
+MS$FOCUSED_ION: PRECURSOR_M/Z 1029.5051
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-01t9-9000000000-8c62fa2a84f552f30004
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  1011.4943 C51H67N10O12- 1 1011.4945 -0.26
+  1029.5044 C51H69N10O13- 1 1029.5051 -0.71
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  1011.4943 835761.7 520
+  1029.5044 1603372.9 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC189554.txt b/Eawag/MSBNK-EAWAG-EC189554.txt
new file mode 100644
index 0000000000..138c30e958
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC189554.txt
@@ -0,0 +1,49 @@
+ACCESSION: MSBNK-EAWAG-EC189554
+RECORD_TITLE: [D-Asp3]MC-RY; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], A. Ballot [dtc], A. Dax [com] * Tentative, please confirm before release
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1895
+CH$NAME: [D-Asp3]MC-RY
+CH$NAME: (5R,8S,11R,15S,18S,19S,22R)-8-[3-(diaminomethylideneamino)propyl]-15-[(4-hydroxyphenyl)methyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,19-trimethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C51H70N10O13
+CH$EXACT_MASS: 1030.512382
+CH$SMILES: O=C(N(C)C(C(N[C@@H](C1=O)C)=O)=C)CC[C@H](C(O)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CC3=CC=C(O)C=C3)NC(C[C@H](C(O)=O)NC([C@@H](N1)CCCNC(N)=N)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C51H70N10O13/c1-28(24-29(2)41(74-7)26-33-12-9-8-10-13-33)15-20-36-30(3)44(65)59-38(49(70)71)21-22-43(64)61(6)32(5)46(67)55-31(4)45(66)58-37(14-11-23-54-51(52)53)47(68)60-40(50(72)73)27-42(63)56-39(48(69)57-36)25-34-16-18-35(62)19-17-34/h8-10,12-13,15-20,24,29-31,36-41,62H,5,11,14,21-23,25-27H2,1-4,6-7H3,(H,55,67)(H,56,63)(H,57,69)(H,58,66)(H,59,65)(H,60,68)(H,70,71)(H,72,73)(H4,52,53,54)/b20-15+,28-24+/t29-,30-,31+,36-,37-,38+,39-,40+,41-/m0/s1
+CH$LINK: PUBCHEM CID:155801630
+CH$LINK: INCHIKEY AKRUYPJUAZTDLQ-XAIZWMDNSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1071
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 17.076 min
+MS$FOCUSED_ION: BASE_PEAK 1029.5051
+MS$FOCUSED_ION: PRECURSOR_M/Z 1029.5051
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-01t9-9301000000-543952453631a1ae47d2
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  128.0351 C5H6NO3- 1 128.0353 -1.35
+  326.1937 C12H28N3O7- 4 326.1933 1.18
+  1011.4943 C51H67N10O12- 1 1011.4945 -0.26
+  1029.5039 C51H69N10O13- 1 1029.5051 -1.18
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  128.0351 355472.4 518
+  326.1937 193846.3 282
+  1011.4943 684951.4 999
+  1029.5039 313025 456
+//
diff --git a/Eawag/MSBNK-EAWAG-EC189555.txt b/Eawag/MSBNK-EAWAG-EC189555.txt
new file mode 100644
index 0000000000..7d96b3463e
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC189555.txt
@@ -0,0 +1,69 @@
+ACCESSION: MSBNK-EAWAG-EC189555
+RECORD_TITLE: [D-Asp3]MC-RY; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], A. Ballot [dtc], A. Dax [com] * Tentative, please confirm before release
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1895
+CH$NAME: [D-Asp3]MC-RY
+CH$NAME: (5R,8S,11R,15S,18S,19S,22R)-8-[3-(diaminomethylideneamino)propyl]-15-[(4-hydroxyphenyl)methyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,19-trimethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C51H70N10O13
+CH$EXACT_MASS: 1030.512382
+CH$SMILES: O=C(N(C)C(C(N[C@@H](C1=O)C)=O)=C)CC[C@H](C(O)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CC3=CC=C(O)C=C3)NC(C[C@H](C(O)=O)NC([C@@H](N1)CCCNC(N)=N)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C51H70N10O13/c1-28(24-29(2)41(74-7)26-33-12-9-8-10-13-33)15-20-36-30(3)44(65)59-38(49(70)71)21-22-43(64)61(6)32(5)46(67)55-31(4)45(66)58-37(14-11-23-54-51(52)53)47(68)60-40(50(72)73)27-42(63)56-39(48(69)57-36)25-34-16-18-35(62)19-17-34/h8-10,12-13,15-20,24,29-31,36-41,62H,5,11,14,21-23,25-27H2,1-4,6-7H3,(H,55,67)(H,56,63)(H,57,69)(H,58,66)(H,59,65)(H,60,68)(H,70,71)(H,72,73)(H4,52,53,54)/b20-15+,28-24+/t29-,30-,31+,36-,37-,38+,39-,40+,41-/m0/s1
+CH$LINK: PUBCHEM CID:155801630
+CH$LINK: INCHIKEY AKRUYPJUAZTDLQ-XAIZWMDNSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1071
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 17.076 min
+MS$FOCUSED_ION: BASE_PEAK 1029.5051
+MS$FOCUSED_ION: PRECURSOR_M/Z 1029.5051
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-004i-0942000000-8f07be65f9ea33ea5e37
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  96.009 C4H2NO2- 1 96.0091 -0.86
+  98.0246 C4H4NO2- 1 98.0248 -1.14
+  119.0501 C8H7O- 1 119.0502 -0.8
+  127.0513 C5H7N2O2- 1 127.0513 0
+  128.0351 C5H6NO3- 1 128.0353 -1.35
+  153.0663 C7H9N2O2- 2 153.067 -4.44
+  162.0553 C9H8NO2- 2 162.0561 -4.54
+  201.1348 C7H21O6- 3 201.1344 2.35
+  208.1194 C8H18NO5- 3 208.119 1.65
+  243.1567 C8H23N2O6- 3 243.1562 2.15
+  266.1611 C11H24NO6- 3 266.1609 0.61
+  284.172 C11H26NO7- 3 284.1715 1.93
+  308.183 C12H26N3O6- 4 308.1827 0.99
+  326.1938 C12H28N3O7- 4 326.1933 1.46
+PK$NUM_PEAK: 14
+PK$PEAK: m/z int. rel.int.
+  96.009 184287.4 97
+  98.0246 71303 37
+  119.0501 70458.3 37
+  127.0513 81789.6 43
+  128.0351 1885242.2 999
+  153.0663 145105.2 76
+  162.0553 144034.4 76
+  201.1348 174667.7 92
+  208.1194 239793.9 127
+  243.1567 118119.1 62
+  266.1611 249534.6 132
+  284.172 327073.4 173
+  308.183 230243.8 122
+  326.1938 492752.5 261
+//
diff --git a/Eawag/MSBNK-EAWAG-EC189556.txt b/Eawag/MSBNK-EAWAG-EC189556.txt
new file mode 100644
index 0000000000..0e150b6f86
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC189556.txt
@@ -0,0 +1,95 @@
+ACCESSION: MSBNK-EAWAG-EC189556
+RECORD_TITLE: [D-Asp3]MC-RY; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], A. Ballot [dtc], A. Dax [com] * Tentative, please confirm before release
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1895
+CH$NAME: [D-Asp3]MC-RY
+CH$NAME: (5R,8S,11R,15S,18S,19S,22R)-8-[3-(diaminomethylideneamino)propyl]-15-[(4-hydroxyphenyl)methyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,19-trimethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C51H70N10O13
+CH$EXACT_MASS: 1030.512382
+CH$SMILES: O=C(N(C)C(C(N[C@@H](C1=O)C)=O)=C)CC[C@H](C(O)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CC3=CC=C(O)C=C3)NC(C[C@H](C(O)=O)NC([C@@H](N1)CCCNC(N)=N)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C51H70N10O13/c1-28(24-29(2)41(74-7)26-33-12-9-8-10-13-33)15-20-36-30(3)44(65)59-38(49(70)71)21-22-43(64)61(6)32(5)46(67)55-31(4)45(66)58-37(14-11-23-54-51(52)53)47(68)60-40(50(72)73)27-42(63)56-39(48(69)57-36)25-34-16-18-35(62)19-17-34/h8-10,12-13,15-20,24,29-31,36-41,62H,5,11,14,21-23,25-27H2,1-4,6-7H3,(H,55,67)(H,56,63)(H,57,69)(H,58,66)(H,59,65)(H,60,68)(H,70,71)(H,72,73)(H4,52,53,54)/b20-15+,28-24+/t29-,30-,31+,36-,37-,38+,39-,40+,41-/m0/s1
+CH$LINK: PUBCHEM CID:155801630
+CH$LINK: INCHIKEY AKRUYPJUAZTDLQ-XAIZWMDNSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1071
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 17.076 min
+MS$FOCUSED_ION: BASE_PEAK 1029.5051
+MS$FOCUSED_ION: PRECURSOR_M/Z 1029.5051
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-004i-1930000000-f298446c8b1f57f80188
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  74.0247 C2H4NO2- 1 74.0248 -0.61
+  82.0297 C4H4NO- 1 82.0298 -2.23
+  96.009 C4H2NO2- 1 96.0091 -0.94
+  98.0246 C4H4NO2- 1 98.0248 -1.14
+  99.0563 C4H7N2O- 1 99.0564 -0.57
+  110.0246 C5H4NO2- 1 110.0248 -1.22
+  113.0355 C4H5N2O2- 1 113.0357 -1.5
+  119.05 C8H7O- 1 119.0502 -2.27
+  124.0401 C6H6NO2- 1 124.0404 -2.64
+  127.0512 C5H7N2O2- 1 127.0513 -1.09
+  128.0352 C5H6NO3- 1 128.0353 -1.11
+  130.0985 C5H12N3O- 1 130.0986 -0.97
+  137.0719 C7H9N2O- 1 137.072 -1.28
+  140.0828 C6H10N3O- 1 140.0829 -0.95
+  150.0557 C8H8NO2- 1 150.0561 -2.03
+  153.0665 C7H9N2O2- 1 153.067 -2.95
+  156.0775 C6H10N3O2- 1 156.0779 -2.38
+  162.0554 C9H8NO2- 2 162.0561 -4.07
+  166.0979 C8H12N3O- 2 166.0986 -3.97
+  167.0822 C8H11N2O2- 1 167.0826 -2.3
+  170.0928 C7H12N3O2- 2 170.0935 -3.86
+  201.1347 C7H21O6- 3 201.1344 1.89
+  208.1193 C8H18NO5- 2 208.119 0.99
+  243.1565 C8H23N2O6- 3 243.1562 1.21
+  266.1615 C11H24NO6- 3 266.1609 2.1
+  284.1718 C11H26NO7- 3 284.1715 1.07
+  308.1833 C12H26N3O6- 5 308.1827 1.89
+PK$NUM_PEAK: 27
+PK$PEAK: m/z int. rel.int.
+  74.0247 54629.5 31
+  82.0297 55880.3 32
+  96.009 292826.5 167
+  98.0246 123270.8 70
+  99.0563 140379.8 80
+  110.0246 118133.1 67
+  113.0355 145357.3 83
+  119.05 140102 80
+  124.0401 166300.1 95
+  127.0512 139934.2 80
+  128.0352 1743873.2 999
+  130.0985 100148.5 57
+  137.0719 121889.6 69
+  140.0828 93719.6 53
+  150.0557 62312 35
+  153.0665 239936.7 137
+  156.0775 73089.3 41
+  162.0554 205694.2 117
+  166.0979 292424.4 167
+  167.0822 94038.1 53
+  170.0928 183820.2 105
+  201.1347 332739.1 190
+  208.1193 371254 212
+  243.1565 97488.2 55
+  266.1615 538021.4 308
+  284.1718 273212.4 156
+  308.1833 132518.7 75
+//
diff --git a/Eawag/MSBNK-EAWAG-EC189557.txt b/Eawag/MSBNK-EAWAG-EC189557.txt
new file mode 100644
index 0000000000..1adc30d903
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC189557.txt
@@ -0,0 +1,83 @@
+ACCESSION: MSBNK-EAWAG-EC189557
+RECORD_TITLE: [D-Asp3]MC-RY; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], A. Ballot [dtc], A. Dax [com] * Tentative, please confirm before release
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1895
+CH$NAME: [D-Asp3]MC-RY
+CH$NAME: (5R,8S,11R,15S,18S,19S,22R)-8-[3-(diaminomethylideneamino)propyl]-15-[(4-hydroxyphenyl)methyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,19-trimethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C51H70N10O13
+CH$EXACT_MASS: 1030.512382
+CH$SMILES: O=C(N(C)C(C(N[C@@H](C1=O)C)=O)=C)CC[C@H](C(O)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CC3=CC=C(O)C=C3)NC(C[C@H](C(O)=O)NC([C@@H](N1)CCCNC(N)=N)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C51H70N10O13/c1-28(24-29(2)41(74-7)26-33-12-9-8-10-13-33)15-20-36-30(3)44(65)59-38(49(70)71)21-22-43(64)61(6)32(5)46(67)55-31(4)45(66)58-37(14-11-23-54-51(52)53)47(68)60-40(50(72)73)27-42(63)56-39(48(69)57-36)25-34-16-18-35(62)19-17-34/h8-10,12-13,15-20,24,29-31,36-41,62H,5,11,14,21-23,25-27H2,1-4,6-7H3,(H,55,67)(H,56,63)(H,57,69)(H,58,66)(H,59,65)(H,60,68)(H,70,71)(H,72,73)(H4,52,53,54)/b20-15+,28-24+/t29-,30-,31+,36-,37-,38+,39-,40+,41-/m0/s1
+CH$LINK: PUBCHEM CID:155801630
+CH$LINK: INCHIKEY AKRUYPJUAZTDLQ-XAIZWMDNSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1071
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 17.076 min
+MS$FOCUSED_ION: BASE_PEAK 1029.5051
+MS$FOCUSED_ION: PRECURSOR_M/Z 1029.5051
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00or-1920000000-85649e886f316dd7bce3
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  74.0247 C2H4NO2- 1 74.0248 -0.2
+  96.009 C4H2NO2- 1 96.0091 -1.5
+  99.0564 C4H7N2O- 1 99.0564 -0.11
+  110.0246 C5H4NO2- 1 110.0248 -1.36
+  113.0356 C4H5N2O2- 1 113.0357 -0.01
+  119.0501 C8H7O- 1 119.0502 -1.31
+  124.0402 C6H6NO2- 1 124.0404 -1.23
+  127.0511 C5H7N2O2- 1 127.0513 -1.33
+  128.0352 C5H6NO3- 1 128.0353 -0.99
+  130.0984 C5H12N3O- 1 130.0986 -1.09
+  137.0719 C7H9N2O- 1 137.072 -1.17
+  140.0827 C6H10N3O- 1 140.0829 -1.49
+  153.0665 C7H9N2O2- 1 153.067 -3.25
+  156.1138 C7H14N3O- 1 156.1142 -2.54
+  162.0554 C9H8NO2- 2 162.0561 -4.17
+  166.098 C8H12N3O- 2 166.0986 -3.78
+  170.0929 C7H12N3O2- 2 170.0935 -3.5
+  183.1243 C7H19O5- 3 183.1238 3.01
+  201.1349 C7H21O6- 3 201.1344 2.57
+  208.1195 C8H18NO5- 3 208.119 2.16
+  266.1613 C11H24NO6- 3 266.1609 1.29
+PK$NUM_PEAK: 21
+PK$PEAK: m/z int. rel.int.
+  74.0247 81965.5 69
+  96.009 308169 260
+  99.0564 204732.6 173
+  110.0246 114560.9 96
+  113.0356 194724.5 164
+  119.0501 186463.2 157
+  124.0402 177099.2 149
+  127.0511 105305.9 89
+  128.0352 1181603.6 999
+  130.0984 206587.1 174
+  137.0719 163947.7 138
+  140.0827 127023.9 107
+  153.0665 212255.7 179
+  156.1138 40151.8 33
+  162.0554 168267.1 142
+  166.098 505193.3 427
+  170.0929 129167 109
+  183.1243 234659.8 198
+  201.1349 305557.6 258
+  208.1195 164277.7 138
+  266.1613 365724.6 309
+//
diff --git a/Eawag/MSBNK-EAWAG-EC189558.txt b/Eawag/MSBNK-EAWAG-EC189558.txt
new file mode 100644
index 0000000000..55131de424
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC189558.txt
@@ -0,0 +1,79 @@
+ACCESSION: MSBNK-EAWAG-EC189558
+RECORD_TITLE: [D-Asp3]MC-RY; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], A. Ballot [dtc], A. Dax [com] * Tentative, please confirm before release
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1895
+CH$NAME: [D-Asp3]MC-RY
+CH$NAME: (5R,8S,11R,15S,18S,19S,22R)-8-[3-(diaminomethylideneamino)propyl]-15-[(4-hydroxyphenyl)methyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,19-trimethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C51H70N10O13
+CH$EXACT_MASS: 1030.512382
+CH$SMILES: O=C(N(C)C(C(N[C@@H](C1=O)C)=O)=C)CC[C@H](C(O)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CC3=CC=C(O)C=C3)NC(C[C@H](C(O)=O)NC([C@@H](N1)CCCNC(N)=N)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C51H70N10O13/c1-28(24-29(2)41(74-7)26-33-12-9-8-10-13-33)15-20-36-30(3)44(65)59-38(49(70)71)21-22-43(64)61(6)32(5)46(67)55-31(4)45(66)58-37(14-11-23-54-51(52)53)47(68)60-40(50(72)73)27-42(63)56-39(48(69)57-36)25-34-16-18-35(62)19-17-34/h8-10,12-13,15-20,24,29-31,36-41,62H,5,11,14,21-23,25-27H2,1-4,6-7H3,(H,55,67)(H,56,63)(H,57,69)(H,58,66)(H,59,65)(H,60,68)(H,70,71)(H,72,73)(H4,52,53,54)/b20-15+,28-24+/t29-,30-,31+,36-,37-,38+,39-,40+,41-/m0/s1
+CH$LINK: PUBCHEM CID:155801630
+CH$LINK: INCHIKEY AKRUYPJUAZTDLQ-XAIZWMDNSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1071
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 17.076 min
+MS$FOCUSED_ION: BASE_PEAK 1029.5051
+MS$FOCUSED_ION: PRECURSOR_M/Z 1029.5051
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00pj-1900000000-bdafc630a2aa3040b6f0
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  70.0297 C3H4NO- 1 70.0298 -1.68
+  84.0455 C4H6NO- 1 84.0455 0.22
+  96.009 C4H2NO2- 1 96.0091 -0.78
+  99.0564 C4H7N2O- 1 99.0564 -0.03
+  110.0246 C5H4NO2- 1 110.0248 -1.36
+  113.0355 C4H5N2O2- 1 113.0357 -1.36
+  119.05 C8H7O- 1 119.0502 -1.63
+  124.0402 C6H6NO2- 1 124.0404 -1.41
+  128.0352 C5H6NO3- 1 128.0353 -0.99
+  130.0984 C5H12N3O- 1 130.0986 -1.55
+  137.0717 C7H9N2O- 1 137.072 -2.5
+  140.0825 C6H10N3O- 1 140.0829 -2.91
+  153.0663 C7H9N2O2- 2 153.067 -3.94
+  162.0554 C9H8NO2- 2 162.0561 -3.88
+  166.0979 C8H12N3O- 2 166.0986 -3.88
+  170.0926 C5H10N6O- 1 170.0922 2.59
+  181.1088 C8H13N4O- 3 181.1095 -3.68
+  183.1245 C8H15N4O- 3 183.1251 -3.54
+  201.1348 C7H21O6- 3 201.1344 2.04
+PK$NUM_PEAK: 19
+PK$PEAK: m/z int. rel.int.
+  70.0297 69076.4 101
+  84.0455 81531.3 120
+  96.009 250801.4 369
+  99.0564 154173 226
+  110.0246 100681.1 148
+  113.0355 196870.1 289
+  119.05 190926.4 281
+  124.0402 119353.2 175
+  128.0352 678659.9 999
+  130.0984 217177.2 319
+  137.0717 158552.2 233
+  140.0825 140632.1 207
+  153.0663 111048.1 163
+  162.0554 101460.4 149
+  166.0979 428554.5 630
+  170.0926 52553.2 77
+  181.1088 126361.9 186
+  183.1245 314937.2 463
+  201.1348 161840.6 238
+//
diff --git a/Eawag/MSBNK-EAWAG-EC189559.txt b/Eawag/MSBNK-EAWAG-EC189559.txt
new file mode 100644
index 0000000000..01ecbc586b
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC189559.txt
@@ -0,0 +1,67 @@
+ACCESSION: MSBNK-EAWAG-EC189559
+RECORD_TITLE: [D-Asp3]MC-RY; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], A. Ballot [dtc], A. Dax [com] * Tentative, please confirm before release
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1895
+CH$NAME: [D-Asp3]MC-RY
+CH$NAME: (5R,8S,11R,15S,18S,19S,22R)-8-[3-(diaminomethylideneamino)propyl]-15-[(4-hydroxyphenyl)methyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,19-trimethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C51H70N10O13
+CH$EXACT_MASS: 1030.512382
+CH$SMILES: O=C(N(C)C(C(N[C@@H](C1=O)C)=O)=C)CC[C@H](C(O)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CC3=CC=C(O)C=C3)NC(C[C@H](C(O)=O)NC([C@@H](N1)CCCNC(N)=N)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C51H70N10O13/c1-28(24-29(2)41(74-7)26-33-12-9-8-10-13-33)15-20-36-30(3)44(65)59-38(49(70)71)21-22-43(64)61(6)32(5)46(67)55-31(4)45(66)58-37(14-11-23-54-51(52)53)47(68)60-40(50(72)73)27-42(63)56-39(48(69)57-36)25-34-16-18-35(62)19-17-34/h8-10,12-13,15-20,24,29-31,36-41,62H,5,11,14,21-23,25-27H2,1-4,6-7H3,(H,55,67)(H,56,63)(H,57,69)(H,58,66)(H,59,65)(H,60,68)(H,70,71)(H,72,73)(H4,52,53,54)/b20-15+,28-24+/t29-,30-,31+,36-,37-,38+,39-,40+,41-/m0/s1
+CH$LINK: PUBCHEM CID:155801630
+CH$LINK: INCHIKEY AKRUYPJUAZTDLQ-XAIZWMDNSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1071
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 17.076 min
+MS$FOCUSED_ION: BASE_PEAK 1029.5051
+MS$FOCUSED_ION: PRECURSOR_M/Z 1029.5051
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-017i-1900000000-6fdb6248aaf24be1eb32
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  74.0247 C2H4NO2- 1 74.0248 -0.82
+  87.0563 C3H7N2O- 1 87.0564 -1.39
+  96.009 C4H2NO2- 1 96.0091 -0.86
+  109.0407 C5H5N2O- 1 109.0407 -0.59
+  113.0355 C4H5N2O2- 1 113.0357 -1.09
+  119.0501 C8H7O- 1 119.0502 -1.31
+  128.0351 C5H6NO3- 1 128.0353 -1.58
+  130.0984 C5H12N3O- 1 130.0986 -1.2
+  137.0716 C7H9N2O- 1 137.072 -3.06
+  140.0827 C6H10N3O- 1 140.0829 -1.82
+  166.098 C8H12N3O- 2 166.0986 -3.51
+  183.1243 C7H19O5- 3 183.1238 2.68
+  201.1349 C7H21O6- 3 201.1344 2.65
+PK$NUM_PEAK: 13
+PK$PEAK: m/z int. rel.int.
+  74.0247 62750.5 195
+  87.0563 86313 269
+  96.009 200983 626
+  109.0407 56845.6 177
+  113.0355 156897.4 489
+  119.0501 168772 526
+  128.0351 320382.8 999
+  130.0984 153489.4 478
+  137.0716 118680.9 370
+  140.0827 97837.1 305
+  166.098 278120.6 867
+  183.1243 227013.1 707
+  201.1349 63609.4 198
+//
diff --git a/Eawag/MSBNK-EAWAG-EC191601.txt b/Eawag/MSBNK-EAWAG-EC191601.txt
new file mode 100644
index 0000000000..30dc7b61c4
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC191601.txt
@@ -0,0 +1,73 @@
+ACCESSION: MSBNK-EAWAG-EC191601
+RECORD_TITLE: MC-LY; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.aquatox.2023.106689
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1916
+CH$NAME: MC-LY
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-(4-hydroxybenzyl)-8-isobutyl-18-((1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl)-1,5,12,19-tetramethyl-2-methylene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptaazacyclopentacosane-11,22-dicarboxylic acid
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[(4-hydroxyphenyl)methyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H71N7O13
+CH$EXACT_MASS: 1001.510985
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C52H71N7O13/c1-28(2)24-40-50(67)58-44(52(70)71)32(6)46(63)56-41(26-36-17-19-37(60)20-18-36)49(66)54-38(21-16-29(3)25-30(4)42(72-10)27-35-14-12-11-13-15-35)31(5)45(62)55-39(51(68)69)22-23-43(61)59(9)34(8)48(65)53-33(7)47(64)57-40/h11-21,25,28,30-33,38-42,44,60H,8,22-24,26-27H2,1-7,9-10H3,(H,53,65)(H,54,66)(H,55,62)(H,56,63)(H,57,64)(H,58,67)(H,68,69)(H,70,71)/b21-16+,29-25+/t30-,31-,32-,33+,38-,39+,40-,41-,42-,44+/m0/s1
+CH$LINK: CAS 123304-10-9
+CH$LINK: PUBCHEM CID:71312414
+CH$LINK: INCHIKEY SIGQAYSWORHPPH-WSTSHCHISA-N
+CH$LINK: CHEMSPIDER 22905963
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1044
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.574 min
+MS$FOCUSED_ION: BASE_PEAK 132.9582
+MS$FOCUSED_ION: PRECURSOR_M/Z 1002.5183
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00kf-0001940060-912f386d7ea5a51228d5
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  195.0767 C9H11N2O3+ 1 195.0764 1.62
+  375.1916 C20H27N2O5+ 5 375.1914 0.39
+  423.224 C20H31N4O6+ 5 423.2238 0.34
+  426.227 C25H32NO5+ 4 426.2275 -1.21
+  446.228 C23H32N3O6+ 5 446.2286 -1.29
+  477.2358 C25H35NO8+ 3 477.2357 0.07
+  494.2611 C23H36N5O7+ 5 494.2609 0.32
+  509.2653 C15H39N7O12+ 6 509.2651 0.39
+  532.279 C29H36N6O4+ 4 532.2793 -0.47
+  560.2708 C41H36O2+ 7 560.271 -0.32
+  689.3152 C34H47N3O12+ 9 689.3154 -0.34
+  822.4326 C48H60N3O9+ 6 822.4324 0.19
+  850.4356 C43H60N7O11+ 4 850.4345 1.26
+  868.4467 C48H62N5O10+ 4 868.4491 -2.73
+PK$NUM_PEAK: 14
+PK$PEAK: m/z int. rel.int.
+  195.0767 16665.1 31
+  375.1916 142845.5 272
+  423.224 120241.6 229
+  426.227 15791.7 30
+  446.228 76895.5 146
+  477.2358 98350.9 187
+  494.2611 522970.4 999
+  509.2653 200798.3 383
+  532.279 7681.3 14
+  560.2708 180397.6 344
+  689.3152 21485 41
+  822.4326 10916.2 20
+  850.4356 101965.2 194
+  868.4467 482489.1 921
+//
diff --git a/Eawag/MSBNK-EAWAG-EC191602.txt b/Eawag/MSBNK-EAWAG-EC191602.txt
new file mode 100644
index 0000000000..d42616d1b6
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC191602.txt
@@ -0,0 +1,91 @@
+ACCESSION: MSBNK-EAWAG-EC191602
+RECORD_TITLE: MC-LY; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.aquatox.2023.106689
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1916
+CH$NAME: MC-LY
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-(4-hydroxybenzyl)-8-isobutyl-18-((1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl)-1,5,12,19-tetramethyl-2-methylene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptaazacyclopentacosane-11,22-dicarboxylic acid
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[(4-hydroxyphenyl)methyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H71N7O13
+CH$EXACT_MASS: 1001.510985
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C52H71N7O13/c1-28(2)24-40-50(67)58-44(52(70)71)32(6)46(63)56-41(26-36-17-19-37(60)20-18-36)49(66)54-38(21-16-29(3)25-30(4)42(72-10)27-35-14-12-11-13-15-35)31(5)45(62)55-39(51(68)69)22-23-43(61)59(9)34(8)48(65)53-33(7)47(64)57-40/h11-21,25,28,30-33,38-42,44,60H,8,22-24,26-27H2,1-7,9-10H3,(H,53,65)(H,54,66)(H,55,62)(H,56,63)(H,57,64)(H,58,67)(H,68,69)(H,70,71)/b21-16+,29-25+/t30-,31-,32-,33+,38-,39+,40-,41-,42-,44+/m0/s1
+CH$LINK: CAS 123304-10-9
+CH$LINK: PUBCHEM CID:71312414
+CH$LINK: INCHIKEY SIGQAYSWORHPPH-WSTSHCHISA-N
+CH$LINK: CHEMSPIDER 22905963
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1044
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.574 min
+MS$FOCUSED_ION: BASE_PEAK 132.9582
+MS$FOCUSED_ION: PRECURSOR_M/Z 1002.5183
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-06vl-0146930000-63642a3c3a0f0cdad74c
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  86.0964 C5H12N+ 1 86.0964 0.01
+  135.0805 C9H11O+ 1 135.0804 0.23
+  163.1118 C11H15O+ 1 163.1117 0.44
+  195.076 C9H11N2O3+ 2 195.0764 -1.9
+  213.0869 C9H13N2O4+ 1 213.087 -0.62
+  258.1846 C2H30N2O11+ 4 258.1844 0.58
+  265.1183 C13H17N2O4+ 2 265.1183 0.05
+  265.1586 C4H27NO11+ 4 265.1579 2.82
+  293.1123 H19N7O11+ 3 293.1137 -4.75
+  297.1841 C5H31NO12+ 5 297.1841 -0.08
+  310.139 C12H18N6O4+ 2 310.1384 1.8
+  347.198 C5H29N7O10+ 6 347.197 2.8
+  375.1913 C20H27N2O5+ 4 375.1914 -0.43
+  397.2088 C18H29N4O6+ 3 397.2082 1.7
+  406.1974 C20H28N3O6+ 5 406.1973 0.38
+  423.2245 C20H31N4O6+ 6 423.2238 1.56
+  446.2286 C23H32N3O6+ 5 446.2286 0.08
+  449.2395 C21H37O10+ 5 449.2381 3.14
+  477.2363 C25H35NO8+ 4 477.2357 1.16
+  494.2612 C23H36N5O7+ 6 494.2609 0.63
+  509.265 C15H39N7O12+ 6 509.2651 -0.33
+  560.271 C41H36O2+ 7 560.271 0
+  850.4353 C43H60N7O11+ 4 850.4345 0.9
+PK$NUM_PEAK: 23
+PK$PEAK: m/z int. rel.int.
+  86.0964 33850.2 54
+  135.0805 82962.4 134
+  163.1118 156630.5 253
+  195.076 61512.6 99
+  213.0869 120838.7 195
+  258.1846 200579.4 324
+  265.1183 107522.4 174
+  265.1586 83520.9 135
+  293.1123 41119.4 66
+  297.1841 66401.9 107
+  310.139 216693.9 350
+  347.198 57715.8 93
+  375.1913 616862.9 999
+  397.2088 124648.3 201
+  406.1974 31138 50
+  423.2245 202809.1 328
+  446.2286 349044 565
+  449.2395 68774.4 111
+  477.2363 215399.8 348
+  494.2612 515328 834
+  509.265 215598.7 349
+  560.271 380880.7 616
+  850.4353 65100.9 105
+//
diff --git a/Eawag/MSBNK-EAWAG-EC191603.txt b/Eawag/MSBNK-EAWAG-EC191603.txt
new file mode 100644
index 0000000000..279fbf6449
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC191603.txt
@@ -0,0 +1,107 @@
+ACCESSION: MSBNK-EAWAG-EC191603
+RECORD_TITLE: MC-LY; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.aquatox.2023.106689
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1916
+CH$NAME: MC-LY
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-(4-hydroxybenzyl)-8-isobutyl-18-((1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl)-1,5,12,19-tetramethyl-2-methylene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptaazacyclopentacosane-11,22-dicarboxylic acid
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[(4-hydroxyphenyl)methyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H71N7O13
+CH$EXACT_MASS: 1001.510985
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C52H71N7O13/c1-28(2)24-40-50(67)58-44(52(70)71)32(6)46(63)56-41(26-36-17-19-37(60)20-18-36)49(66)54-38(21-16-29(3)25-30(4)42(72-10)27-35-14-12-11-13-15-35)31(5)45(62)55-39(51(68)69)22-23-43(61)59(9)34(8)48(65)53-33(7)47(64)57-40/h11-21,25,28,30-33,38-42,44,60H,8,22-24,26-27H2,1-7,9-10H3,(H,53,65)(H,54,66)(H,55,62)(H,56,63)(H,57,64)(H,58,67)(H,68,69)(H,70,71)/b21-16+,29-25+/t30-,31-,32-,33+,38-,39+,40-,41-,42-,44+/m0/s1
+CH$LINK: CAS 123304-10-9
+CH$LINK: PUBCHEM CID:71312414
+CH$LINK: INCHIKEY SIGQAYSWORHPPH-WSTSHCHISA-N
+CH$LINK: CHEMSPIDER 22905963
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1044
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.574 min
+MS$FOCUSED_ION: BASE_PEAK 132.9582
+MS$FOCUSED_ION: PRECURSOR_M/Z 1002.5183
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03fs-1598510000-a82be3de4a7983fac226
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  56.0497 C3H6N+ 1 56.0495 3.85
+  86.0965 C5H12N+ 1 86.0964 1.43
+  107.0857 C8H11+ 1 107.0855 1.45
+  135.0804 C9H11O+ 1 135.0804 0.01
+  135.1167 C10H15+ 1 135.1168 -0.74
+  136.0763 C8H10NO+ 1 136.0757 4.5
+  155.0816 C7H11N2O2+ 1 155.0815 0.51
+  163.1117 C11H15O+ 1 163.1117 -0.03
+  195.0761 C9H11N2O3+ 1 195.0764 -1.51
+  213.0867 C9H13N2O4+ 1 213.087 -1.27
+  239.0661 C10H11N2O5+ 2 239.0662 -0.64
+  246.1479 H26N2O12+ 3 246.148 -0.54
+  258.1844 C2H30N2O11+ 3 258.1844 -0.01
+  265.1183 C13H17N2O4+ 2 265.1183 -0.07
+  265.1584 C4H27NO11+ 4 265.1579 1.9
+  268.1654 C13H22N3O3+ 2 268.1656 -0.58
+  282.1861 C5H26N6O7+ 3 282.1857 1.1
+  293.1127 H19N7O11+ 3 293.1137 -3.5
+  297.1842 C5H31NO12+ 4 297.1841 0.53
+  310.1392 C12H18N6O4+ 2 310.1384 2.68
+  329.186 C19H25N2O3+ 4 329.186 -0.05
+  347.1969 C5H29N7O10+ 5 347.197 -0.45
+  375.1915 C20H27N2O5+ 5 375.1914 0.14
+  397.2082 C18H29N4O6+ 5 397.2082 0.09
+  405.2131 C20H29N4O5+ 5 405.2132 -0.28
+  423.225 C20H31N4O6+ 4 423.2238 2.79
+  446.2288 C23H32N3O6+ 5 446.2286 0.63
+  449.2393 C21H37O10+ 5 449.2381 2.59
+  477.2371 C26H31N5O4+ 4 477.2371 0.02
+  494.2611 C23H36N5O7+ 5 494.2609 0.38
+  560.2726 C41H36O2+ 5 560.271 2.95
+PK$NUM_PEAK: 31
+PK$PEAK: m/z int. rel.int.
+  56.0497 23271.8 37
+  86.0965 154679.7 249
+  107.0857 69369.1 111
+  135.0804 271972.5 438
+  135.1167 53500 86
+  136.0763 27290.5 43
+  155.0816 95194 153
+  163.1117 289296.6 466
+  195.0761 96934.7 156
+  213.0867 316387.5 509
+  239.0661 18239.4 29
+  246.1479 78034.4 125
+  258.1844 186329.9 300
+  265.1183 274553.8 442
+  265.1584 106736 172
+  268.1654 142170.2 229
+  282.1861 34049.5 54
+  293.1127 140024.5 225
+  297.1842 58923.2 94
+  310.1392 314918.9 507
+  329.186 35679.4 57
+  347.1969 112667.9 181
+  375.1915 619792.7 999
+  397.2082 245635.6 395
+  405.2131 33786.9 54
+  423.225 134758.6 217
+  446.2288 330030.6 531
+  449.2393 76934.2 124
+  477.2371 149037.8 240
+  494.2611 159309.5 256
+  560.2726 186018.8 299
+//
diff --git a/Eawag/MSBNK-EAWAG-EC191604.txt b/Eawag/MSBNK-EAWAG-EC191604.txt
new file mode 100644
index 0000000000..bca64e5f30
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC191604.txt
@@ -0,0 +1,105 @@
+ACCESSION: MSBNK-EAWAG-EC191604
+RECORD_TITLE: MC-LY; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.aquatox.2023.106689
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1916
+CH$NAME: MC-LY
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-(4-hydroxybenzyl)-8-isobutyl-18-((1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl)-1,5,12,19-tetramethyl-2-methylene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptaazacyclopentacosane-11,22-dicarboxylic acid
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[(4-hydroxyphenyl)methyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H71N7O13
+CH$EXACT_MASS: 1001.510985
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C52H71N7O13/c1-28(2)24-40-50(67)58-44(52(70)71)32(6)46(63)56-41(26-36-17-19-37(60)20-18-36)49(66)54-38(21-16-29(3)25-30(4)42(72-10)27-35-14-12-11-13-15-35)31(5)45(62)55-39(51(68)69)22-23-43(61)59(9)34(8)48(65)53-33(7)47(64)57-40/h11-21,25,28,30-33,38-42,44,60H,8,22-24,26-27H2,1-7,9-10H3,(H,53,65)(H,54,66)(H,55,62)(H,56,63)(H,57,64)(H,58,67)(H,68,69)(H,70,71)/b21-16+,29-25+/t30-,31-,32-,33+,38-,39+,40-,41-,42-,44+/m0/s1
+CH$LINK: CAS 123304-10-9
+CH$LINK: PUBCHEM CID:71312414
+CH$LINK: INCHIKEY SIGQAYSWORHPPH-WSTSHCHISA-N
+CH$LINK: CHEMSPIDER 22905963
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1044
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.574 min
+MS$FOCUSED_ION: BASE_PEAK 132.9582
+MS$FOCUSED_ION: PRECURSOR_M/Z 1002.5183
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03dr-1984000000-d86c0f13dcd7925da026
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  56.0495 C3H6N+ 1 56.0495 0.93
+  86.0965 C5H12N+ 1 86.0964 0.37
+  91.0547 C7H7+ 1 91.0542 5
+  107.0856 C8H11+ 1 107.0855 0.31
+  127.0867 C6H11N2O+ 1 127.0866 0.51
+  135.0804 C9H11O+ 1 135.0804 -0.45
+  135.1166 C10H15+ 1 135.1168 -1.53
+  136.0756 C8H10NO+ 1 136.0757 -0.32
+  143.0862 C11H11+ 1 143.0855 4.93
+  155.0816 C7H11N2O2+ 1 155.0815 0.31
+  157.134 C8H17N2O+ 1 157.1335 3.08
+  161.0964 C11H13O+ 1 161.0961 1.95
+  163.1117 C11H15O+ 1 163.1117 -0.31
+  185.1289 C9H17N2O2+ 1 185.1285 2.14
+  195.0761 C9H11N2O3+ 1 195.0764 -1.51
+  213.0867 C9H13N2O4+ 1 213.087 -1.27
+  237.1631 C3H27NO10+ 3 237.1629 0.66
+  239.0669 C10H11N2O5+ 2 239.0662 2.87
+  258.1848 C2H30N2O11+ 4 258.1844 1.53
+  265.1181 C13H17N2O4+ 2 265.1183 -0.64
+  265.1578 C4H27NO11+ 4 265.1579 -0.4
+  268.1652 C13H22N3O3+ 2 268.1656 -1.27
+  282.1856 C5H26N6O7+ 3 282.1857 -0.64
+  293.1129 H19N7O11+ 3 293.1137 -2.88
+  310.1395 C12H18N6O4+ 4 310.1384 3.67
+  375.1913 C20H27N2O5+ 4 375.1914 -0.43
+  378.2024 C19H28N3O5+ 5 378.2023 0.24
+  397.2082 C18H29N4O6+ 5 397.2082 0.17
+  446.2284 C23H32N3O6+ 5 446.2286 -0.47
+  477.2365 C26H31N5O4+ 5 477.2371 -1.07
+PK$NUM_PEAK: 30
+PK$PEAK: m/z int. rel.int.
+  56.0495 46272.4 87
+  86.0965 318621.8 604
+  91.0547 28041.6 53
+  107.0856 186877.4 354
+  127.0867 109041.5 207
+  135.0804 519967.5 987
+  135.1166 162542.7 308
+  136.0756 104694.2 198
+  143.0862 28291.6 53
+  155.0816 221450.7 420
+  157.134 37552 71
+  161.0964 31639.3 60
+  163.1117 466398.3 885
+  185.1289 64102.1 121
+  195.0761 81584.6 154
+  213.0867 517051.9 981
+  237.1631 142254.4 270
+  239.0669 25859.9 49
+  258.1848 134742.8 255
+  265.1181 453782.9 861
+  265.1578 100794.6 191
+  268.1652 148991.5 282
+  282.1856 39209.9 74
+  293.1129 238789.8 453
+  310.1395 201725.8 383
+  375.1913 526133 999
+  378.2024 55371.5 105
+  397.2082 300261.8 570
+  446.2284 147093.9 279
+  477.2365 65905.2 125
+//
diff --git a/Eawag/MSBNK-EAWAG-EC191605.txt b/Eawag/MSBNK-EAWAG-EC191605.txt
new file mode 100644
index 0000000000..fcb1ca8a37
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC191605.txt
@@ -0,0 +1,111 @@
+ACCESSION: MSBNK-EAWAG-EC191605
+RECORD_TITLE: MC-LY; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.aquatox.2023.106689
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1916
+CH$NAME: MC-LY
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-(4-hydroxybenzyl)-8-isobutyl-18-((1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl)-1,5,12,19-tetramethyl-2-methylene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptaazacyclopentacosane-11,22-dicarboxylic acid
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[(4-hydroxyphenyl)methyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H71N7O13
+CH$EXACT_MASS: 1001.510985
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C52H71N7O13/c1-28(2)24-40-50(67)58-44(52(70)71)32(6)46(63)56-41(26-36-17-19-37(60)20-18-36)49(66)54-38(21-16-29(3)25-30(4)42(72-10)27-35-14-12-11-13-15-35)31(5)45(62)55-39(51(68)69)22-23-43(61)59(9)34(8)48(65)53-33(7)47(64)57-40/h11-21,25,28,30-33,38-42,44,60H,8,22-24,26-27H2,1-7,9-10H3,(H,53,65)(H,54,66)(H,55,62)(H,56,63)(H,57,64)(H,58,67)(H,68,69)(H,70,71)/b21-16+,29-25+/t30-,31-,32-,33+,38-,39+,40-,41-,42-,44+/m0/s1
+CH$LINK: CAS 123304-10-9
+CH$LINK: PUBCHEM CID:71312414
+CH$LINK: INCHIKEY SIGQAYSWORHPPH-WSTSHCHISA-N
+CH$LINK: CHEMSPIDER 22905963
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1044
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.574 min
+MS$FOCUSED_ION: BASE_PEAK 132.9582
+MS$FOCUSED_ION: PRECURSOR_M/Z 1002.5183
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-000i-2930000000-75d3a738891562559699
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  56.0495 C3H6N+ 1 56.0495 -0.1
+  58.0652 C3H8N+ 1 58.0651 0.85
+  84.0444 C4H6NO+ 1 84.0444 -0.3
+  86.0964 C5H12N+ 1 86.0964 0.19
+  91.0543 C7H7+ 1 91.0542 0.73
+  93.0699 C7H9+ 1 93.0699 -0.27
+  103.0547 C8H7+ 1 103.0542 4.51
+  105.0701 C8H9+ 1 105.0699 1.75
+  107.0855 C8H11+ 1 107.0855 -0.05
+  117.0699 C9H9+ 1 117.0699 0.17
+  124.0759 C7H10NO+ 1 124.0757 1.82
+  124.1121 C8H14N+ 1 124.1121 0.34
+  127.0866 C6H11N2O+ 1 127.0866 -0.09
+  130.0502 C5H8NO3+ 1 130.0499 2.82
+  131.0852 C10H11+ 1 131.0855 -2.57
+  135.0804 C9H11O+ 1 135.0804 0.01
+  135.1167 C10H15+ 1 135.1168 -1.08
+  136.0756 C8H10NO+ 1 136.0757 -0.66
+  138.055 C7H8NO2+ 1 138.055 0.61
+  145.1015 C11H13+ 1 145.1012 2.25
+  155.0815 C7H11N2O2+ 1 155.0815 -0.18
+  157.1341 C8H17N2O+ 1 157.1335 3.28
+  163.1117 C11H15O+ 1 163.1117 -0.21
+  167.0817 C8H11N2O2+ 1 167.0815 1.26
+  181.0974 C9H13N2O2+ 1 181.0972 1.31
+  195.0762 C9H11N2O3+ 1 195.0764 -1.35
+  213.0867 C9H13N2O4+ 1 213.087 -1.27
+  237.123 C12H17N2O3+ 2 237.1234 -1.47
+  243.1336 C11H19N2O4+ 2 243.1339 -1.4
+  246.1484 H26N2O12+ 4 246.148 1.5
+  258.1847 C2H30N2O11+ 4 258.1844 1.06
+  265.118 C13H17N2O4+ 2 265.1183 -0.99
+  293.1127 H19N7O11+ 3 293.1137 -3.5
+PK$NUM_PEAK: 33
+PK$PEAK: m/z int. rel.int.
+  56.0495 76740.8 96
+  58.0652 74571.6 93
+  84.0444 85655.9 107
+  86.0964 562819.1 709
+  91.0543 75594.8 95
+  93.0699 40723.7 51
+  103.0547 27789.6 35
+  105.0701 48913.9 61
+  107.0855 493834.2 622
+  117.0699 24542 30
+  124.0759 22596.9 28
+  124.1121 87454.4 110
+  127.0866 354233.2 446
+  130.0502 32355.2 40
+  131.0852 43909.4 55
+  135.0804 792713.2 999
+  135.1167 468116.6 589
+  136.0756 364967.1 459
+  138.055 125445 158
+  145.1015 34703.1 43
+  155.0815 390388.4 491
+  157.1341 71260.3 89
+  163.1117 429036.7 540
+  167.0817 88888.5 112
+  181.0974 49548.2 62
+  195.0762 86729.1 109
+  213.0867 579076.6 729
+  237.123 27611.2 34
+  243.1336 68079.4 85
+  246.1484 88768.6 111
+  258.1847 46811.3 58
+  265.118 426113.6 537
+  293.1127 111300.3 140
+//
diff --git a/Eawag/MSBNK-EAWAG-EC191606.txt b/Eawag/MSBNK-EAWAG-EC191606.txt
new file mode 100644
index 0000000000..d5310691ae
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC191606.txt
@@ -0,0 +1,111 @@
+ACCESSION: MSBNK-EAWAG-EC191606
+RECORD_TITLE: MC-LY; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.aquatox.2023.106689
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1916
+CH$NAME: MC-LY
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-(4-hydroxybenzyl)-8-isobutyl-18-((1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl)-1,5,12,19-tetramethyl-2-methylene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptaazacyclopentacosane-11,22-dicarboxylic acid
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[(4-hydroxyphenyl)methyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H71N7O13
+CH$EXACT_MASS: 1001.510985
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C52H71N7O13/c1-28(2)24-40-50(67)58-44(52(70)71)32(6)46(63)56-41(26-36-17-19-37(60)20-18-36)49(66)54-38(21-16-29(3)25-30(4)42(72-10)27-35-14-12-11-13-15-35)31(5)45(62)55-39(51(68)69)22-23-43(61)59(9)34(8)48(65)53-33(7)47(64)57-40/h11-21,25,28,30-33,38-42,44,60H,8,22-24,26-27H2,1-7,9-10H3,(H,53,65)(H,54,66)(H,55,62)(H,56,63)(H,57,64)(H,58,67)(H,68,69)(H,70,71)/b21-16+,29-25+/t30-,31-,32-,33+,38-,39+,40-,41-,42-,44+/m0/s1
+CH$LINK: CAS 123304-10-9
+CH$LINK: PUBCHEM CID:71312414
+CH$LINK: INCHIKEY SIGQAYSWORHPPH-WSTSHCHISA-N
+CH$LINK: CHEMSPIDER 22905963
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1044
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.574 min
+MS$FOCUSED_ION: BASE_PEAK 132.9582
+MS$FOCUSED_ION: PRECURSOR_M/Z 1002.5183
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-000i-2910000000-ef8017fea0048a70c358
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  56.0495 C3H6N+ 1 56.0495 0.52
+  58.0652 C3H8N+ 1 58.0651 0.52
+  79.0545 C6H7+ 1 79.0542 3.2
+  82.0653 C5H8N+ 1 82.0651 2.32
+  84.0445 C4H6NO+ 1 84.0444 1.51
+  86.0965 C5H12N+ 1 86.0964 0.55
+  91.0543 C7H7+ 1 91.0542 0.48
+  93.0699 C7H9+ 1 93.0699 0.55
+  99.092 C5H11N2+ 1 99.0917 3.57
+  103.0542 C8H7+ 1 103.0542 -0.08
+  105.0699 C8H9+ 1 105.0699 0.59
+  107.0856 C8H11+ 1 107.0855 0.45
+  117.0699 C9H9+ 1 117.0699 0.43
+  127.0866 C6H11N2O+ 1 127.0866 0.21
+  130.0503 C5H8NO3+ 1 130.0499 3.06
+  133.1015 C10H13+ 1 133.1012 2.49
+  135.0804 C9H11O+ 1 135.0804 0.01
+  135.1167 C10H15+ 1 135.1168 -0.74
+  136.0757 C8H10NO+ 1 136.0757 -0.21
+  138.0547 C7H8NO2+ 1 138.055 -1.82
+  143.0856 C11H11+ 1 143.0855 0.67
+  146.0964 C10H12N+ 1 146.0964 -0.35
+  155.0814 C7H11N2O2+ 1 155.0815 -0.38
+  157.1335 C8H17N2O+ 1 157.1335 -0.22
+  161.0965 C11H13O+ 1 161.0961 2.8
+  163.1116 C11H15O+ 1 163.1117 -0.77
+  167.0817 C8H11N2O2+ 1 167.0815 0.9
+  195.0762 C9H11N2O3+ 1 195.0764 -0.96
+  213.0867 C9H13N2O4+ 1 213.087 -1.2
+  218.1547 C14H20NO+ 2 218.1539 3.34
+  226.1588 CH26N2O10+ 3 226.1582 2.64
+  243.134 C11H19N2O4+ 1 243.1339 0.42
+  265.1178 C13H17N2O4+ 2 265.1183 -1.68
+PK$NUM_PEAK: 33
+PK$PEAK: m/z int. rel.int.
+  56.0495 140561.4 188
+  58.0652 92585.7 124
+  79.0545 37491.2 50
+  82.0653 28234.1 37
+  84.0445 150654.8 202
+  86.0965 584194.7 784
+  91.0543 143745.7 193
+  93.0699 108832.1 146
+  99.092 32564.9 43
+  103.0542 98189.8 131
+  105.0699 156312.3 209
+  107.0856 736815.1 989
+  117.0699 81307.5 109
+  127.0866 666790.6 895
+  130.0503 35239.6 47
+  133.1015 24473.8 32
+  135.0804 744049.7 999
+  135.1167 554447.7 744
+  136.0757 558856.7 750
+  138.0547 103857.6 139
+  143.0856 33484.7 44
+  146.0964 17497.6 23
+  155.0814 330089.3 443
+  157.1335 45114.1 60
+  161.0965 32009.7 42
+  163.1116 292447.5 392
+  167.0817 143856.7 193
+  195.0762 91899.4 123
+  213.0867 428297.2 575
+  218.1547 32810.7 44
+  226.1588 48741.9 65
+  243.134 23702.8 31
+  265.1178 167638.9 225
+//
diff --git a/Eawag/MSBNK-EAWAG-EC191607.txt b/Eawag/MSBNK-EAWAG-EC191607.txt
new file mode 100644
index 0000000000..18cf0d6d25
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC191607.txt
@@ -0,0 +1,117 @@
+ACCESSION: MSBNK-EAWAG-EC191607
+RECORD_TITLE: MC-LY; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.aquatox.2023.106689
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1916
+CH$NAME: MC-LY
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-(4-hydroxybenzyl)-8-isobutyl-18-((1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl)-1,5,12,19-tetramethyl-2-methylene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptaazacyclopentacosane-11,22-dicarboxylic acid
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[(4-hydroxyphenyl)methyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H71N7O13
+CH$EXACT_MASS: 1001.510985
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C52H71N7O13/c1-28(2)24-40-50(67)58-44(52(70)71)32(6)46(63)56-41(26-36-17-19-37(60)20-18-36)49(66)54-38(21-16-29(3)25-30(4)42(72-10)27-35-14-12-11-13-15-35)31(5)45(62)55-39(51(68)69)22-23-43(61)59(9)34(8)48(65)53-33(7)47(64)57-40/h11-21,25,28,30-33,38-42,44,60H,8,22-24,26-27H2,1-7,9-10H3,(H,53,65)(H,54,66)(H,55,62)(H,56,63)(H,57,64)(H,58,67)(H,68,69)(H,70,71)/b21-16+,29-25+/t30-,31-,32-,33+,38-,39+,40-,41-,42-,44+/m0/s1
+CH$LINK: CAS 123304-10-9
+CH$LINK: PUBCHEM CID:71312414
+CH$LINK: INCHIKEY SIGQAYSWORHPPH-WSTSHCHISA-N
+CH$LINK: CHEMSPIDER 22905963
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1044
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.574 min
+MS$FOCUSED_ION: BASE_PEAK 132.9582
+MS$FOCUSED_ION: PRECURSOR_M/Z 1002.5183
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-052r-2900000000-2ec367da0ff6910bb2be
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  56.0495 C3H6N+ 1 56.0495 0.38
+  58.0651 C3H8N+ 1 58.0651 0.2
+  69.0335 C4H5O+ 1 69.0335 0.68
+  79.0543 C6H7+ 1 79.0542 0.59
+  82.0652 C5H8N+ 1 82.0651 1.11
+  84.0444 C4H6NO+ 1 84.0444 0.51
+  86.0965 C5H12N+ 1 86.0964 0.37
+  91.0542 C7H7+ 1 91.0542 0.06
+  93.0699 C7H9+ 1 93.0699 0.63
+  99.0919 C5H11N2+ 1 99.0917 2.11
+  102.0554 C4H8NO2+ 1 102.055 4.61
+  103.0543 C8H7+ 1 103.0542 0.66
+  105.0699 C8H9+ 1 105.0699 0.22
+  107.0856 C8H11+ 1 107.0855 0.23
+  110.0598 C6H8NO+ 1 110.06 -1.92
+  117.0698 C9H9+ 1 117.0699 -0.29
+  119.0494 C8H7O+ 1 119.0491 2.16
+  119.0856 C9H11+ 1 119.0855 0.81
+  127.0866 C6H11N2O+ 1 127.0866 0.21
+  130.0501 C5H8NO3+ 1 130.0499 1.53
+  131.0854 C10H11+ 1 131.0855 -1.17
+  133.1014 C10H13+ 1 133.1012 1.8
+  135.0804 C9H11O+ 1 135.0804 -0.33
+  135.1167 C10H15+ 1 135.1168 -0.96
+  136.0756 C8H10NO+ 1 136.0757 -0.32
+  138.0549 C7H8NO2+ 1 138.055 -0.49
+  143.0857 C11H11+ 1 143.0855 1.2
+  145.101 C11H13+ 1 145.1012 -1.43
+  146.0966 C10H12N+ 1 146.0964 1.22
+  149.0714 C8H9N2O+ 1 149.0709 3.26
+  155.0814 C7H11N2O2+ 1 155.0815 -0.38
+  162.0914 C10H12NO+ 1 162.0913 0.17
+  163.1118 C11H15O+ 1 163.1117 0.07
+  167.0814 C8H11N2O2+ 1 167.0815 -0.38
+  195.0763 C9H11N2O3+ 1 195.0764 -0.57
+  213.0869 C9H13N2O4+ 1 213.087 -0.55
+PK$NUM_PEAK: 36
+PK$PEAK: m/z int. rel.int.
+  56.0495 228225.3 251
+  58.0651 81798.7 90
+  69.0335 47577.2 52
+  79.0543 80561.2 88
+  82.0652 48169.9 53
+  84.0444 189435 208
+  86.0965 471071.3 518
+  91.0542 230024.3 253
+  93.0699 162963.9 179
+  99.0919 66151.5 72
+  102.0554 16365.5 18
+  103.0543 245971.6 270
+  105.0699 265388.8 292
+  107.0856 907136.6 999
+  110.0598 50884.1 56
+  117.0698 99834.2 109
+  119.0494 47990.4 52
+  119.0856 47965.8 52
+  127.0866 782438.8 861
+  130.0501 35738.4 39
+  131.0854 58089.4 63
+  133.1014 34225.3 37
+  135.0804 578863.1 637
+  135.1167 456702.3 502
+  136.0756 590246.6 650
+  138.0549 120085.6 132
+  143.0857 26836 29
+  145.101 45103.8 49
+  146.0966 26407.9 29
+  149.0714 44627.8 49
+  155.0814 168966.3 186
+  162.0914 24694.1 27
+  163.1118 111287.5 122
+  167.0814 193083.3 212
+  195.0763 91046 100
+  213.0869 193398.6 212
+//
diff --git a/Eawag/MSBNK-EAWAG-EC191608.txt b/Eawag/MSBNK-EAWAG-EC191608.txt
new file mode 100644
index 0000000000..c46f436601
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC191608.txt
@@ -0,0 +1,107 @@
+ACCESSION: MSBNK-EAWAG-EC191608
+RECORD_TITLE: MC-LY; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.aquatox.2023.106689
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1916
+CH$NAME: MC-LY
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-(4-hydroxybenzyl)-8-isobutyl-18-((1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl)-1,5,12,19-tetramethyl-2-methylene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptaazacyclopentacosane-11,22-dicarboxylic acid
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[(4-hydroxyphenyl)methyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H71N7O13
+CH$EXACT_MASS: 1001.510985
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C52H71N7O13/c1-28(2)24-40-50(67)58-44(52(70)71)32(6)46(63)56-41(26-36-17-19-37(60)20-18-36)49(66)54-38(21-16-29(3)25-30(4)42(72-10)27-35-14-12-11-13-15-35)31(5)45(62)55-39(51(68)69)22-23-43(61)59(9)34(8)48(65)53-33(7)47(64)57-40/h11-21,25,28,30-33,38-42,44,60H,8,22-24,26-27H2,1-7,9-10H3,(H,53,65)(H,54,66)(H,55,62)(H,56,63)(H,57,64)(H,58,67)(H,68,69)(H,70,71)/b21-16+,29-25+/t30-,31-,32-,33+,38-,39+,40-,41-,42-,44+/m0/s1
+CH$LINK: CAS 123304-10-9
+CH$LINK: PUBCHEM CID:71312414
+CH$LINK: INCHIKEY SIGQAYSWORHPPH-WSTSHCHISA-N
+CH$LINK: CHEMSPIDER 22905963
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1044
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.574 min
+MS$FOCUSED_ION: BASE_PEAK 132.9582
+MS$FOCUSED_ION: PRECURSOR_M/Z 1002.5183
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0a4r-4900000000-72f06110c027a2c4bdab
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  56.0495 C3H6N+ 1 56.0495 0.65
+  58.0652 C3H8N+ 1 58.0651 2.1
+  69.0335 C4H5O+ 1 69.0335 0.02
+  79.0543 C6H7+ 1 79.0542 0.98
+  82.0652 C5H8N+ 1 82.0651 0.65
+  84.0445 C4H6NO+ 1 84.0444 1.15
+  86.0965 C5H12N+ 1 86.0964 0.9
+  91.0543 C7H7+ 1 91.0542 0.48
+  93.0699 C7H9+ 1 93.0699 0.63
+  94.0652 C6H8N+ 1 94.0651 0.77
+  95.0492 C6H7O+ 1 95.0491 1.01
+  99.0918 C5H11N2+ 1 99.0917 1.57
+  103.0542 C8H7+ 1 103.0542 0.21
+  105.0699 C8H9+ 1 105.0699 0.44
+  107.0856 C8H11+ 1 107.0855 0.38
+  110.0599 C6H8NO+ 1 110.06 -0.95
+  115.0544 C9H7+ 1 115.0542 1.1
+  117.0699 C9H9+ 1 117.0699 -0.16
+  119.0495 C8H7O+ 1 119.0491 2.8
+  119.0856 C9H11+ 1 119.0855 0.81
+  127.0866 C6H11N2O+ 1 127.0866 0.27
+  135.0804 C9H11O+ 1 135.0804 -0.22
+  135.1167 C10H15+ 1 135.1168 -0.74
+  136.0757 C8H10NO+ 1 136.0757 -0.21
+  138.0549 C7H8NO2+ 1 138.055 -0.27
+  145.1015 C11H13+ 1 145.1012 2.04
+  155.0818 C7H11N2O2+ 1 155.0815 1.89
+  163.1118 C11H15O+ 1 163.1117 0.54
+  167.0813 C8H11N2O2+ 1 167.0815 -1.11
+  195.076 C9H11N2O3+ 2 195.0764 -2.05
+  213.0869 C9H13N2O4+ 1 213.087 -0.19
+PK$NUM_PEAK: 31
+PK$PEAK: m/z int. rel.int.
+  56.0495 366936.5 376
+  58.0652 73235.9 75
+  69.0335 48390.4 49
+  79.0543 132083.3 135
+  82.0652 106118 108
+  84.0445 184653 189
+  86.0965 374226.8 384
+  91.0543 396604.6 407
+  93.0699 212976.1 218
+  94.0652 18075.7 18
+  95.0492 29717.1 30
+  99.0918 114436.1 117
+  103.0542 455874.7 468
+  105.0699 378197.1 388
+  107.0856 973110.8 999
+  110.0599 50422.3 51
+  115.0544 48896.4 50
+  117.0699 153252.9 157
+  119.0495 85951 88
+  119.0856 49132.7 50
+  127.0866 757867.1 778
+  135.0804 349340.2 358
+  135.1167 262694.6 269
+  136.0757 469694.8 482
+  138.0549 76602.1 78
+  145.1015 36489.5 37
+  155.0818 69470.2 71
+  163.1118 57129.1 58
+  167.0813 205361.3 210
+  195.076 60659.6 62
+  213.0869 88955.4 91
+//
diff --git a/Eawag/MSBNK-EAWAG-EC191609.txt b/Eawag/MSBNK-EAWAG-EC191609.txt
new file mode 100644
index 0000000000..0ba702828b
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC191609.txt
@@ -0,0 +1,105 @@
+ACCESSION: MSBNK-EAWAG-EC191609
+RECORD_TITLE: MC-LY; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.aquatox.2023.106689
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1916
+CH$NAME: MC-LY
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-(4-hydroxybenzyl)-8-isobutyl-18-((1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl)-1,5,12,19-tetramethyl-2-methylene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptaazacyclopentacosane-11,22-dicarboxylic acid
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[(4-hydroxyphenyl)methyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H71N7O13
+CH$EXACT_MASS: 1001.510985
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C52H71N7O13/c1-28(2)24-40-50(67)58-44(52(70)71)32(6)46(63)56-41(26-36-17-19-37(60)20-18-36)49(66)54-38(21-16-29(3)25-30(4)42(72-10)27-35-14-12-11-13-15-35)31(5)45(62)55-39(51(68)69)22-23-43(61)59(9)34(8)48(65)53-33(7)47(64)57-40/h11-21,25,28,30-33,38-42,44,60H,8,22-24,26-27H2,1-7,9-10H3,(H,53,65)(H,54,66)(H,55,62)(H,56,63)(H,57,64)(H,58,67)(H,68,69)(H,70,71)/b21-16+,29-25+/t30-,31-,32-,33+,38-,39+,40-,41-,42-,44+/m0/s1
+CH$LINK: CAS 123304-10-9
+CH$LINK: PUBCHEM CID:71312414
+CH$LINK: INCHIKEY SIGQAYSWORHPPH-WSTSHCHISA-N
+CH$LINK: CHEMSPIDER 22905963
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1044
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.574 min
+MS$FOCUSED_ION: BASE_PEAK 132.9582
+MS$FOCUSED_ION: PRECURSOR_M/Z 1002.5183
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0a4i-5900000000-e7cc8a40d5e2ba533f3e
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  55.0179 C3H3O+ 1 55.0178 1.1
+  55.0544 C4H7+ 1 55.0542 2.68
+  56.0495 C3H6N+ 1 56.0495 0.65
+  58.0652 C3H8N+ 1 58.0651 0.59
+  79.0542 C6H7+ 1 79.0542 0.11
+  82.0652 C5H8N+ 1 82.0651 1.02
+  84.0445 C4H6NO+ 1 84.0444 0.88
+  86.0965 C5H12N+ 1 86.0964 0.63
+  91.0543 C7H7+ 1 91.0542 0.48
+  93.0699 C7H9+ 1 93.0699 0.63
+  94.0654 C6H8N+ 1 94.0651 2.39
+  95.0492 C6H7O+ 1 95.0491 0.85
+  99.0917 C5H11N2+ 1 99.0917 -0.05
+  103.0543 C8H7+ 1 103.0542 0.44
+  105.0699 C8H9+ 1 105.0699 0.3
+  107.0856 C8H11+ 1 107.0855 0.45
+  109.0651 C7H9O+ 1 109.0648 2.57
+  110.06 C6H8NO+ 1 110.06 -0.26
+  113.0236 C5H5O3+ 1 113.0233 2.69
+  115.0542 C9H7+ 1 115.0542 -0.43
+  117.0698 C9H9+ 1 117.0699 -1.07
+  119.0493 C8H7O+ 1 119.0491 1.65
+  119.0855 C9H11+ 1 119.0855 -0.22
+  121.0762 C7H9N2+ 1 121.076 1.85
+  127.0866 C6H11N2O+ 1 127.0866 0.03
+  135.0804 C9H11O+ 1 135.0804 -0.45
+  135.1168 C10H15+ 1 135.1168 -0.4
+  136.0757 C8H10NO+ 1 136.0757 0.13
+  145.1016 C11H13+ 1 145.1012 3.09
+  167.0814 C8H11N2O2+ 1 167.0815 -0.38
+PK$NUM_PEAK: 30
+PK$PEAK: m/z int. rel.int.
+  55.0179 39591.6 48
+  55.0544 38118.2 47
+  56.0495 539705.6 666
+  58.0652 75136.3 92
+  79.0542 197207.3 243
+  82.0652 143285.2 177
+  84.0445 186147.2 230
+  86.0965 256661.3 317
+  91.0543 647122.5 799
+  93.0699 228192 281
+  94.0654 31810.6 39
+  95.0492 66377.1 82
+  99.0917 122313.6 151
+  103.0543 703736.5 869
+  105.0699 475418.1 587
+  107.0856 808525.3 999
+  109.0651 64055.4 79
+  110.06 56959.5 70
+  113.0236 42519.1 52
+  115.0542 64654.7 79
+  117.0698 133331.9 164
+  119.0493 123286.2 152
+  119.0855 46940.7 57
+  121.0762 55753.1 68
+  127.0866 605920.4 748
+  135.0804 212405.6 262
+  135.1168 130814 161
+  136.0757 337581.2 417
+  145.1016 26745.2 33
+  167.0814 149461.2 184
+//
diff --git a/Eawag/MSBNK-EAWAG-EC191651.txt b/Eawag/MSBNK-EAWAG-EC191651.txt
new file mode 100644
index 0000000000..9919c9ce58
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC191651.txt
@@ -0,0 +1,47 @@
+ACCESSION: MSBNK-EAWAG-EC191651
+RECORD_TITLE: MC-LY; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.aquatox.2023.106689
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1916
+CH$NAME: MC-LY
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-(4-hydroxybenzyl)-8-isobutyl-18-((1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl)-1,5,12,19-tetramethyl-2-methylene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptaazacyclopentacosane-11,22-dicarboxylic acid
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[(4-hydroxyphenyl)methyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H71N7O13
+CH$EXACT_MASS: 1001.510985
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C52H71N7O13/c1-28(2)24-40-50(67)58-44(52(70)71)32(6)46(63)56-41(26-36-17-19-37(60)20-18-36)49(66)54-38(21-16-29(3)25-30(4)42(72-10)27-35-14-12-11-13-15-35)31(5)45(62)55-39(51(68)69)22-23-43(61)59(9)34(8)48(65)53-33(7)47(64)57-40/h11-21,25,28,30-33,38-42,44,60H,8,22-24,26-27H2,1-7,9-10H3,(H,53,65)(H,54,66)(H,55,62)(H,56,63)(H,57,64)(H,58,67)(H,68,69)(H,70,71)/b21-16+,29-25+/t30-,31-,32-,33+,38-,39+,40-,41-,42-,44+/m0/s1
+CH$LINK: CAS 123304-10-9
+CH$LINK: PUBCHEM CID:71312414
+CH$LINK: INCHIKEY SIGQAYSWORHPPH-WSTSHCHISA-N
+CH$LINK: CHEMSPIDER 22905963
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1042
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.587 min
+MS$FOCUSED_ION: BASE_PEAK 1000.5041
+MS$FOCUSED_ION: PRECURSOR_M/Z 1000.5037
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0udi-9000000000-49e78a62fac511ac841a
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  1000.5036 C52H70N7O13- 1 1000.5037 -0.07
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  1000.5036 3103347.8 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC191652.txt b/Eawag/MSBNK-EAWAG-EC191652.txt
new file mode 100644
index 0000000000..1c68728189
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC191652.txt
@@ -0,0 +1,51 @@
+ACCESSION: MSBNK-EAWAG-EC191652
+RECORD_TITLE: MC-LY; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.aquatox.2023.106689
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1916
+CH$NAME: MC-LY
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-(4-hydroxybenzyl)-8-isobutyl-18-((1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl)-1,5,12,19-tetramethyl-2-methylene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptaazacyclopentacosane-11,22-dicarboxylic acid
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[(4-hydroxyphenyl)methyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H71N7O13
+CH$EXACT_MASS: 1001.510985
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C52H71N7O13/c1-28(2)24-40-50(67)58-44(52(70)71)32(6)46(63)56-41(26-36-17-19-37(60)20-18-36)49(66)54-38(21-16-29(3)25-30(4)42(72-10)27-35-14-12-11-13-15-35)31(5)45(62)55-39(51(68)69)22-23-43(61)59(9)34(8)48(65)53-33(7)47(64)57-40/h11-21,25,28,30-33,38-42,44,60H,8,22-24,26-27H2,1-7,9-10H3,(H,53,65)(H,54,66)(H,55,62)(H,56,63)(H,57,64)(H,58,67)(H,68,69)(H,70,71)/b21-16+,29-25+/t30-,31-,32-,33+,38-,39+,40-,41-,42-,44+/m0/s1
+CH$LINK: CAS 123304-10-9
+CH$LINK: PUBCHEM CID:71312414
+CH$LINK: INCHIKEY SIGQAYSWORHPPH-WSTSHCHISA-N
+CH$LINK: CHEMSPIDER 22905963
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1042
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.587 min
+MS$FOCUSED_ION: BASE_PEAK 1000.5041
+MS$FOCUSED_ION: PRECURSOR_M/Z 1000.5037
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0udi-9000000001-fcaa534abb460a529f7f
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  109.1672 H21N4O2- 1 109.167 1.81
+  982.4923 C52H68N7O12- 1 982.4931 -0.9
+  1000.5038 C52H70N7O13- 1 1000.5037 0.12
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  109.1672 22719.9 10
+  982.4923 443708.9 207
+  1000.5038 2136417 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC191653.txt b/Eawag/MSBNK-EAWAG-EC191653.txt
new file mode 100644
index 0000000000..8afefc4929
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC191653.txt
@@ -0,0 +1,53 @@
+ACCESSION: MSBNK-EAWAG-EC191653
+RECORD_TITLE: MC-LY; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.aquatox.2023.106689
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1916
+CH$NAME: MC-LY
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-(4-hydroxybenzyl)-8-isobutyl-18-((1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl)-1,5,12,19-tetramethyl-2-methylene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptaazacyclopentacosane-11,22-dicarboxylic acid
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[(4-hydroxyphenyl)methyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H71N7O13
+CH$EXACT_MASS: 1001.510985
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C52H71N7O13/c1-28(2)24-40-50(67)58-44(52(70)71)32(6)46(63)56-41(26-36-17-19-37(60)20-18-36)49(66)54-38(21-16-29(3)25-30(4)42(72-10)27-35-14-12-11-13-15-35)31(5)45(62)55-39(51(68)69)22-23-43(61)59(9)34(8)48(65)53-33(7)47(64)57-40/h11-21,25,28,30-33,38-42,44,60H,8,22-24,26-27H2,1-7,9-10H3,(H,53,65)(H,54,66)(H,55,62)(H,56,63)(H,57,64)(H,58,67)(H,68,69)(H,70,71)/b21-16+,29-25+/t30-,31-,32-,33+,38-,39+,40-,41-,42-,44+/m0/s1
+CH$LINK: CAS 123304-10-9
+CH$LINK: PUBCHEM CID:71312414
+CH$LINK: INCHIKEY SIGQAYSWORHPPH-WSTSHCHISA-N
+CH$LINK: CHEMSPIDER 22905963
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1042
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.587 min
+MS$FOCUSED_ION: BASE_PEAK 1000.5041
+MS$FOCUSED_ION: PRECURSOR_M/Z 1000.5037
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0f89-6100000009-1a153c1b869243d45df9
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  109.1675 H21N4O2- 1 109.167 4.54
+  128.0353 C5H6NO3- 1 128.0353 -0.36
+  982.4922 C52H68N7O12- 1 982.4931 -0.96
+  1000.503 C52H70N7O13- 1 1000.5037 -0.68
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  109.1675 39256.2 42
+  128.0353 66524 72
+  982.4922 916718.3 999
+  1000.503 687194.1 748
+//
diff --git a/Eawag/MSBNK-EAWAG-EC191654.txt b/Eawag/MSBNK-EAWAG-EC191654.txt
new file mode 100644
index 0000000000..70c12fd2cc
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC191654.txt
@@ -0,0 +1,55 @@
+ACCESSION: MSBNK-EAWAG-EC191654
+RECORD_TITLE: MC-LY; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.aquatox.2023.106689
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1916
+CH$NAME: MC-LY
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-(4-hydroxybenzyl)-8-isobutyl-18-((1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl)-1,5,12,19-tetramethyl-2-methylene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptaazacyclopentacosane-11,22-dicarboxylic acid
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[(4-hydroxyphenyl)methyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H71N7O13
+CH$EXACT_MASS: 1001.510985
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C52H71N7O13/c1-28(2)24-40-50(67)58-44(52(70)71)32(6)46(63)56-41(26-36-17-19-37(60)20-18-36)49(66)54-38(21-16-29(3)25-30(4)42(72-10)27-35-14-12-11-13-15-35)31(5)45(62)55-39(51(68)69)22-23-43(61)59(9)34(8)48(65)53-33(7)47(64)57-40/h11-21,25,28,30-33,38-42,44,60H,8,22-24,26-27H2,1-7,9-10H3,(H,53,65)(H,54,66)(H,55,62)(H,56,63)(H,57,64)(H,58,67)(H,68,69)(H,70,71)/b21-16+,29-25+/t30-,31-,32-,33+,38-,39+,40-,41-,42-,44+/m0/s1
+CH$LINK: CAS 123304-10-9
+CH$LINK: PUBCHEM CID:71312414
+CH$LINK: INCHIKEY SIGQAYSWORHPPH-WSTSHCHISA-N
+CH$LINK: CHEMSPIDER 22905963
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1042
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.587 min
+MS$FOCUSED_ION: BASE_PEAK 1000.5041
+MS$FOCUSED_ION: PRECURSOR_M/Z 1000.5037
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-003r-0840000009-c5f172f1fa714456279a
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  128.0351 C5H6NO3- 1 128.0353 -1.67
+  200.1402 C9H18N3O2- 1 200.1405 -1.17
+  273.0871 C12H11N5O3- 2 273.0867 1.35
+  283.1768 C12H27O7- 3 283.1762 1.94
+  982.4923 C52H68N7O12- 1 982.4931 -0.9
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  128.0351 529827.6 959
+  200.1402 32342.5 58
+  273.0871 33371.2 60
+  283.1768 193144.8 349
+  982.4923 551470.2 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC191655.txt b/Eawag/MSBNK-EAWAG-EC191655.txt
new file mode 100644
index 0000000000..3c95803a48
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC191655.txt
@@ -0,0 +1,87 @@
+ACCESSION: MSBNK-EAWAG-EC191655
+RECORD_TITLE: MC-LY; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.aquatox.2023.106689
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1916
+CH$NAME: MC-LY
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-(4-hydroxybenzyl)-8-isobutyl-18-((1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl)-1,5,12,19-tetramethyl-2-methylene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptaazacyclopentacosane-11,22-dicarboxylic acid
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[(4-hydroxyphenyl)methyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H71N7O13
+CH$EXACT_MASS: 1001.510985
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C52H71N7O13/c1-28(2)24-40-50(67)58-44(52(70)71)32(6)46(63)56-41(26-36-17-19-37(60)20-18-36)49(66)54-38(21-16-29(3)25-30(4)42(72-10)27-35-14-12-11-13-15-35)31(5)45(62)55-39(51(68)69)22-23-43(61)59(9)34(8)48(65)53-33(7)47(64)57-40/h11-21,25,28,30-33,38-42,44,60H,8,22-24,26-27H2,1-7,9-10H3,(H,53,65)(H,54,66)(H,55,62)(H,56,63)(H,57,64)(H,58,67)(H,68,69)(H,70,71)/b21-16+,29-25+/t30-,31-,32-,33+,38-,39+,40-,41-,42-,44+/m0/s1
+CH$LINK: CAS 123304-10-9
+CH$LINK: PUBCHEM CID:71312414
+CH$LINK: INCHIKEY SIGQAYSWORHPPH-WSTSHCHISA-N
+CH$LINK: CHEMSPIDER 22905963
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1042
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.587 min
+MS$FOCUSED_ION: BASE_PEAK 1000.5041
+MS$FOCUSED_ION: PRECURSOR_M/Z 1000.5037
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-004i-0940000000-fb42dc4759a6d1974d1f
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  99.0564 C4H7N2O- 1 99.0564 0.25
+  110.0246 C5H4NO2- 1 110.0248 -1.07
+  112.0405 C5H6NO2- 1 112.0404 0.82
+  123.0564 C6H7N2O- 1 123.0564 0.13
+  124.0401 C6H6NO2- 1 124.0404 -2.54
+  127.0513 C5H7N2O2- 1 127.0513 -0.13
+  128.0351 C5H6NO3- 1 128.0353 -1.43
+  129.1032 C6H13N2O- 1 129.1033 -0.98
+  131.0867 C10H11- 1 131.0866 0.83
+  139.0876 C7H11N2O- 1 139.0877 -0.31
+  153.0664 C7H9N2O2- 1 153.067 -3.61
+  155.0822 C7H11N2O2- 1 155.0826 -2.9
+  162.0553 C9H8NO2- 2 162.0561 -4.94
+  167.0822 C8H11N2O2- 1 167.0826 -2.16
+  170.093 C7H12N3O2- 1 170.0935 -2.76
+  182.1296 C9H16N3O- 1 182.1299 -1.74
+  200.1397 C9H18N3O2- 2 200.1405 -3.84
+  211.0713 C7H9N5O3- 1 211.0711 1.05
+  226.1186 C8H14N6O2- 2 226.1184 1.12
+  265.166 C12H25O6- 3 265.1657 1.31
+  283.1767 C12H27O7- 3 283.1762 1.84
+PK$NUM_PEAK: 21
+PK$PEAK: m/z int. rel.int.
+  99.0564 33196.4 25
+  110.0246 208444 161
+  112.0405 35654.5 27
+  123.0564 30047.2 23
+  124.0401 130916.4 101
+  127.0513 39216 30
+  128.0351 1288817.1 999
+  129.1032 68300.7 52
+  131.0867 35487.5 27
+  139.0876 48691.5 37
+  153.0664 97028.4 75
+  155.0822 56691.3 43
+  162.0553 77154 59
+  167.0822 37157.3 28
+  170.093 59413.5 46
+  182.1296 45200 35
+  200.1397 185621.9 143
+  211.0713 46662.7 36
+  226.1186 46403.1 35
+  265.166 498652.9 386
+  283.1767 468331.9 363
+//
diff --git a/Eawag/MSBNK-EAWAG-EC191656.txt b/Eawag/MSBNK-EAWAG-EC191656.txt
new file mode 100644
index 0000000000..9ee22c3c9e
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC191656.txt
@@ -0,0 +1,109 @@
+ACCESSION: MSBNK-EAWAG-EC191656
+RECORD_TITLE: MC-LY; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.aquatox.2023.106689
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1916
+CH$NAME: MC-LY
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-(4-hydroxybenzyl)-8-isobutyl-18-((1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl)-1,5,12,19-tetramethyl-2-methylene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptaazacyclopentacosane-11,22-dicarboxylic acid
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[(4-hydroxyphenyl)methyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H71N7O13
+CH$EXACT_MASS: 1001.510985
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C52H71N7O13/c1-28(2)24-40-50(67)58-44(52(70)71)32(6)46(63)56-41(26-36-17-19-37(60)20-18-36)49(66)54-38(21-16-29(3)25-30(4)42(72-10)27-35-14-12-11-13-15-35)31(5)45(62)55-39(51(68)69)22-23-43(61)59(9)34(8)48(65)53-33(7)47(64)57-40/h11-21,25,28,30-33,38-42,44,60H,8,22-24,26-27H2,1-7,9-10H3,(H,53,65)(H,54,66)(H,55,62)(H,56,63)(H,57,64)(H,58,67)(H,68,69)(H,70,71)/b21-16+,29-25+/t30-,31-,32-,33+,38-,39+,40-,41-,42-,44+/m0/s1
+CH$LINK: CAS 123304-10-9
+CH$LINK: PUBCHEM CID:71312414
+CH$LINK: INCHIKEY SIGQAYSWORHPPH-WSTSHCHISA-N
+CH$LINK: CHEMSPIDER 22905963
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1042
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.587 min
+MS$FOCUSED_ION: BASE_PEAK 1000.5041
+MS$FOCUSED_ION: PRECURSOR_M/Z 1000.5037
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00or-0920000000-9d629fefd955db3290fc
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  72.0454 C3H6NO- 1 72.0455 -1.16
+  74.0245 C2H4NO2- 1 74.0248 -3.57
+  84.0455 C4H6NO- 1 84.0455 0.71
+  87.0563 C3H7N2O- 1 87.0564 -0.44
+  99.0562 C4H7N2O- 1 99.0564 -1.52
+  100.0403 C4H6NO2- 1 100.0404 -1.11
+  110.0246 C5H4NO2- 1 110.0248 -1.83
+  112.0402 C5H6NO2- 1 112.0404 -1.98
+  113.0355 C4H5N2O2- 1 113.0357 -1.53
+  119.0499 C8H7O- 1 119.0502 -2.45
+  123.056 C6H7N2O- 1 123.0564 -3.04
+  124.0401 C6H6NO2- 1 124.0404 -2.05
+  125.0718 C6H9N2O- 1 125.072 -1.73
+  127.0513 C5H7N2O2- 1 127.0513 -0.19
+  128.0351 C5H6NO3- 1 128.0353 -1.79
+  129.1032 C6H13N2O- 1 129.1033 -0.86
+  131.0865 C10H11- 1 131.0866 -1.03
+  139.0874 C7H11N2O- 1 139.0877 -2.17
+  141.0667 C6H9N2O2- 1 141.067 -1.76
+  150.0557 C8H8NO2- 1 150.0561 -2.19
+  153.0666 C7H9N2O2- 1 153.067 -2.31
+  155.0821 C7H11N2O2- 1 155.0826 -3.19
+  162.0554 C9H8NO2- 2 162.0561 -4.19
+  165.1028 C9H13N2O- 2 165.1033 -3.36
+  170.0928 C7H12N3O2- 2 170.0935 -3.93
+  180.1142 C9H14N3O- 1 180.1142 -0.12
+  182.1291 C9H16N3O- 2 182.1299 -4.17
+  183.1134 C9H15N2O2- 2 183.1139 -2.96
+  198.1246 C9H16N3O2- 1 198.1248 -1.04
+  200.1396 C9H18N3O2- 2 200.1405 -4.14
+  265.1661 C12H25O6- 3 265.1657 1.66
+  283.1767 C12H27O7- 3 283.1762 1.73
+PK$NUM_PEAK: 32
+PK$PEAK: m/z int. rel.int.
+  72.0454 34954.9 31
+  74.0245 58570.4 52
+  84.0455 41044.1 36
+  87.0563 21218 18
+  99.0562 125940.1 112
+  100.0403 22178.7 19
+  110.0246 307177.2 273
+  112.0402 65164.1 58
+  113.0355 27314.4 24
+  119.0499 96875.5 86
+  123.056 60557.3 53
+  124.0401 206850.5 184
+  125.0718 24165.9 21
+  127.0513 62430.5 55
+  128.0351 1121446.9 999
+  129.1032 174978.4 155
+  131.0865 54059.9 48
+  139.0874 132949.9 118
+  141.0667 40251.7 35
+  150.0557 34735.5 30
+  153.0666 164239.5 146
+  155.0821 85496.5 76
+  162.0554 102271.3 91
+  165.1028 215403.1 191
+  170.0928 47066.2 41
+  180.1142 109270.5 97
+  182.1291 196390.8 174
+  183.1134 48558.7 43
+  198.1246 57026.2 50
+  200.1396 202329.9 180
+  265.1661 481501.9 428
+  283.1767 135868.2 121
+//
diff --git a/Eawag/MSBNK-EAWAG-EC191657.txt b/Eawag/MSBNK-EAWAG-EC191657.txt
new file mode 100644
index 0000000000..161f13b06f
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC191657.txt
@@ -0,0 +1,105 @@
+ACCESSION: MSBNK-EAWAG-EC191657
+RECORD_TITLE: MC-LY; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.aquatox.2023.106689
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1916
+CH$NAME: MC-LY
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-(4-hydroxybenzyl)-8-isobutyl-18-((1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl)-1,5,12,19-tetramethyl-2-methylene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptaazacyclopentacosane-11,22-dicarboxylic acid
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[(4-hydroxyphenyl)methyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H71N7O13
+CH$EXACT_MASS: 1001.510985
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C52H71N7O13/c1-28(2)24-40-50(67)58-44(52(70)71)32(6)46(63)56-41(26-36-17-19-37(60)20-18-36)49(66)54-38(21-16-29(3)25-30(4)42(72-10)27-35-14-12-11-13-15-35)31(5)45(62)55-39(51(68)69)22-23-43(61)59(9)34(8)48(65)53-33(7)47(64)57-40/h11-21,25,28,30-33,38-42,44,60H,8,22-24,26-27H2,1-7,9-10H3,(H,53,65)(H,54,66)(H,55,62)(H,56,63)(H,57,64)(H,58,67)(H,68,69)(H,70,71)/b21-16+,29-25+/t30-,31-,32-,33+,38-,39+,40-,41-,42-,44+/m0/s1
+CH$LINK: CAS 123304-10-9
+CH$LINK: PUBCHEM CID:71312414
+CH$LINK: INCHIKEY SIGQAYSWORHPPH-WSTSHCHISA-N
+CH$LINK: CHEMSPIDER 22905963
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1042
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.587 min
+MS$FOCUSED_ION: BASE_PEAK 1000.5041
+MS$FOCUSED_ION: PRECURSOR_M/Z 1000.5037
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-004i-1900000000-0dfcefc150c49cc55e68
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  72.0452 C3H6NO- 1 72.0455 -3.91
+  74.0246 C2H4NO2- 1 74.0248 -1.5
+  84.0455 C4H6NO- 1 84.0455 0.26
+  87.0562 C3H7N2O- 1 87.0564 -2.1
+  99.0563 C4H7N2O- 1 99.0564 -0.52
+  110.0246 C5H4NO2- 1 110.0248 -1.28
+  112.0766 C6H10NO- 1 112.0768 -1.58
+  113.0359 C4H5N2O2- 1 113.0357 2.52
+  119.0502 C8H7O- 1 119.0502 -0.59
+  123.0561 C6H7N2O- 1 123.0564 -2.11
+  124.0402 C6H6NO2- 1 124.0404 -1.44
+  125.0355 C5H5N2O2- 1 125.0357 -0.99
+  127.051 C5H7N2O2- 1 127.0513 -2.65
+  128.0351 C5H6NO3- 1 128.0353 -1.67
+  129.1032 C6H13N2O- 1 129.1033 -0.98
+  139.0874 C7H11N2O- 1 139.0877 -2.28
+  141.0667 C6H9N2O2- 1 141.067 -1.54
+  145.0292 C9H5O2- 1 145.0295 -2.07
+  150.0555 C8H8NO2- 1 150.0561 -3.41
+  153.0668 C7H9N2O2- 1 153.067 -0.82
+  155.0824 C7H11N2O2- 1 155.0826 -1.62
+  162.0555 C9H8NO2- 2 162.0561 -3.34
+  165.1028 C9H13N2O- 1 165.1033 -2.99
+  167.0826 C8H11N2O2- 1 167.0826 0.21
+  180.1137 C9H14N3O- 2 180.1142 -2.74
+  182.1291 C9H16N3O- 2 182.1299 -4.09
+  183.1135 C9H15N2O2- 2 183.1139 -2.46
+  198.124 C7H14N6O- 2 198.1235 2.74
+  200.1397 C9H18N3O2- 2 200.1405 -3.61
+  265.1663 C12H25O6- 4 265.1657 2.46
+PK$NUM_PEAK: 30
+PK$PEAK: m/z int. rel.int.
+  72.0452 37165.6 53
+  74.0246 70419.1 100
+  84.0455 54423.4 77
+  87.0562 40653.6 58
+  99.0563 123518 176
+  110.0246 268847.3 383
+  112.0766 22248.4 31
+  113.0359 36157.5 51
+  119.0502 114404.6 163
+  123.0561 55343.9 78
+  124.0402 178973.2 255
+  125.0355 13475 19
+  127.051 70557.5 100
+  128.0351 700091 999
+  129.1032 209715.6 299
+  139.0874 105276.6 150
+  141.0667 31776.4 45
+  145.0292 48381.2 69
+  150.0555 37872.8 54
+  153.0668 110037 157
+  155.0824 68254.2 97
+  162.0555 84457 120
+  165.1028 202404.9 288
+  167.0826 32024.8 45
+  180.1137 129213.5 184
+  182.1291 266474.5 380
+  183.1135 38824.7 55
+  198.124 40610.4 57
+  200.1397 144553.2 206
+  265.1663 151417.9 216
+//
diff --git a/Eawag/MSBNK-EAWAG-EC191658.txt b/Eawag/MSBNK-EAWAG-EC191658.txt
new file mode 100644
index 0000000000..9bd91e3702
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC191658.txt
@@ -0,0 +1,83 @@
+ACCESSION: MSBNK-EAWAG-EC191658
+RECORD_TITLE: MC-LY; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.aquatox.2023.106689
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1916
+CH$NAME: MC-LY
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-(4-hydroxybenzyl)-8-isobutyl-18-((1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl)-1,5,12,19-tetramethyl-2-methylene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptaazacyclopentacosane-11,22-dicarboxylic acid
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[(4-hydroxyphenyl)methyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H71N7O13
+CH$EXACT_MASS: 1001.510985
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C52H71N7O13/c1-28(2)24-40-50(67)58-44(52(70)71)32(6)46(63)56-41(26-36-17-19-37(60)20-18-36)49(66)54-38(21-16-29(3)25-30(4)42(72-10)27-35-14-12-11-13-15-35)31(5)45(62)55-39(51(68)69)22-23-43(61)59(9)34(8)48(65)53-33(7)47(64)57-40/h11-21,25,28,30-33,38-42,44,60H,8,22-24,26-27H2,1-7,9-10H3,(H,53,65)(H,54,66)(H,55,62)(H,56,63)(H,57,64)(H,58,67)(H,68,69)(H,70,71)/b21-16+,29-25+/t30-,31-,32-,33+,38-,39+,40-,41-,42-,44+/m0/s1
+CH$LINK: CAS 123304-10-9
+CH$LINK: PUBCHEM CID:71312414
+CH$LINK: INCHIKEY SIGQAYSWORHPPH-WSTSHCHISA-N
+CH$LINK: CHEMSPIDER 22905963
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1042
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.587 min
+MS$FOCUSED_ION: BASE_PEAK 1000.5041
+MS$FOCUSED_ION: PRECURSOR_M/Z 1000.5037
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0059-1900000000-a7f9e96be6e31dd5360a
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  74.0246 C2H4NO2- 1 74.0248 -2.53
+  87.0562 C3H7N2O- 1 87.0564 -1.93
+  96.0453 C5H6NO- 1 96.0455 -1.79
+  99.0561 C4H7N2O- 1 99.0564 -2.6
+  109.041 C5H5N2O- 1 109.0407 2.14
+  110.0245 C5H4NO2- 1 110.0248 -2.11
+  113.0355 C4H5N2O2- 1 113.0357 -1.05
+  119.0501 C8H7O- 1 119.0502 -1.04
+  123.0564 C6H7N2O- 1 123.0564 -0.25
+  124.0401 C6H6NO2- 1 124.0404 -2.6
+  128.0351 C5H6NO3- 1 128.0353 -1.91
+  129.1031 C6H13N2O- 1 129.1033 -1.92
+  139.0874 C7H11N2O- 1 139.0877 -2.28
+  145.0294 C9H5O2- 1 145.0295 -0.38
+  150.0557 C8H8NO2- 1 150.0561 -2.09
+  155.0823 C7H11N2O2- 1 155.0826 -1.91
+  165.1025 C9H13N2O- 2 165.1033 -4.84
+  180.1136 C9H14N3O- 2 180.1142 -3.76
+  182.129 C9H16N3O- 2 182.1299 -4.67
+PK$NUM_PEAK: 19
+PK$PEAK: m/z int. rel.int.
+  74.0246 54558.5 156
+  87.0562 42827.8 123
+  96.0453 21797.2 62
+  99.0561 103740 298
+  109.041 31299.4 89
+  110.0245 234531.6 673
+  113.0355 36092.6 103
+  119.0501 112753.5 324
+  123.0564 32310.6 92
+  124.0401 120289.2 345
+  128.0351 347624.8 999
+  129.1031 185750.2 533
+  139.0874 77435.3 222
+  145.0294 29069.9 83
+  150.0557 32252.1 92
+  155.0823 46432.3 133
+  165.1025 110052.7 316
+  180.1136 83547.3 240
+  182.129 230110.3 661
+//
diff --git a/Eawag/MSBNK-EAWAG-EC199701.txt b/Eawag/MSBNK-EAWAG-EC199701.txt
new file mode 100644
index 0000000000..4f44edacd1
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC199701.txt
@@ -0,0 +1,46 @@
+ACCESSION: MSBNK-EAWAG-EC199701
+RECORD_TITLE: [D-Leu1]MC-LR; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], K. Thomas [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: http://dx.doi.org/10.1016/j.toxicon.2013.03.016
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1997
+CH$NAME: [D-Leu1]MC-LR
+CH$NAME: [D-Leu^(1)]-microcystin-LR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,12,19-trimethyl-2-methylidene-5,8-bis(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H80N10O12
+CH$EXACT_MASS: 1036.595718
+CH$SMILES: O=C(N(C)C(C(N[C@@H](C1=O)CC(C)C)=O)=C)CC[C@H](C(O)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CCCNC(N)=N)NC([C@@H](C)[C@H](C(O)=O)NC([C@@H](N1)CC(C)C)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C52H80N10O12/c1-28(2)24-39-48(68)60-40(25-29(3)4)49(69)61-43(51(72)73)33(8)45(65)57-37(18-15-23-55-52(53)54)47(67)56-36(20-19-30(5)26-31(6)41(74-11)27-35-16-13-12-14-17-35)32(7)44(64)58-38(50(70)71)21-22-42(63)62(10)34(9)46(66)59-39/h12-14,16-17,19-20,26,28-29,31-33,36-41,43H,9,15,18,21-25,27H2,1-8,10-11H3,(H,56,67)(H,57,65)(H,58,64)(H,59,66)(H,60,68)(H,61,69)(H,70,71)(H,72,73)(H4,53,54,55)/b20-19+,30-26+/t31-,32-,33-,36-,37-,38+,39+,40-,41-,43+/m0/s1
+CH$LINK: PUBCHEM CID:636790
+CH$LINK: INCHIKEY PYRKYAINAPVHFV-OGPAHFFASA-N
+CH$LINK: CHEMSPIDER 552506
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1079
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 15.616 min
+MS$FOCUSED_ION: BASE_PEAK 519.3046
+MS$FOCUSED_ION: PRECURSOR_M/Z 1037.603
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-000i-9000000000-b54a6ebe1da7f7b8fb27
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  1037.6028 C52H81N10O12+ 1 1037.603 -0.22
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  1037.6028 3341171 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC199702.txt b/Eawag/MSBNK-EAWAG-EC199702.txt
new file mode 100644
index 0000000000..f97f32db22
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC199702.txt
@@ -0,0 +1,46 @@
+ACCESSION: MSBNK-EAWAG-EC199702
+RECORD_TITLE: [D-Leu1]MC-LR; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], K. Thomas [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: http://dx.doi.org/10.1016/j.toxicon.2013.03.016
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1997
+CH$NAME: [D-Leu1]MC-LR
+CH$NAME: [D-Leu^(1)]-microcystin-LR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,12,19-trimethyl-2-methylidene-5,8-bis(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H80N10O12
+CH$EXACT_MASS: 1036.595718
+CH$SMILES: O=C(N(C)C(C(N[C@@H](C1=O)CC(C)C)=O)=C)CC[C@H](C(O)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CCCNC(N)=N)NC([C@@H](C)[C@H](C(O)=O)NC([C@@H](N1)CC(C)C)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C52H80N10O12/c1-28(2)24-39-48(68)60-40(25-29(3)4)49(69)61-43(51(72)73)33(8)45(65)57-37(18-15-23-55-52(53)54)47(67)56-36(20-19-30(5)26-31(6)41(74-11)27-35-16-13-12-14-17-35)32(7)44(64)58-38(50(70)71)21-22-42(63)62(10)34(9)46(66)59-39/h12-14,16-17,19-20,26,28-29,31-33,36-41,43H,9,15,18,21-25,27H2,1-8,10-11H3,(H,56,67)(H,57,65)(H,58,64)(H,59,66)(H,60,68)(H,61,69)(H,70,71)(H,72,73)(H4,53,54,55)/b20-19+,30-26+/t31-,32-,33-,36-,37-,38+,39+,40-,41-,43+/m0/s1
+CH$LINK: PUBCHEM CID:636790
+CH$LINK: INCHIKEY PYRKYAINAPVHFV-OGPAHFFASA-N
+CH$LINK: CHEMSPIDER 552506
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1079
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 15.616 min
+MS$FOCUSED_ION: BASE_PEAK 519.3046
+MS$FOCUSED_ION: PRECURSOR_M/Z 1037.603
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-000i-9000000000-8a42a0c64da2c106c251
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  1037.6025 C52H81N10O12+ 1 1037.603 -0.46
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  1037.6025 2175352.2 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC199703.txt b/Eawag/MSBNK-EAWAG-EC199703.txt
new file mode 100644
index 0000000000..6632c97069
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC199703.txt
@@ -0,0 +1,46 @@
+ACCESSION: MSBNK-EAWAG-EC199703
+RECORD_TITLE: [D-Leu1]MC-LR; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], K. Thomas [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: http://dx.doi.org/10.1016/j.toxicon.2013.03.016
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1997
+CH$NAME: [D-Leu1]MC-LR
+CH$NAME: [D-Leu^(1)]-microcystin-LR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,12,19-trimethyl-2-methylidene-5,8-bis(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H80N10O12
+CH$EXACT_MASS: 1036.595718
+CH$SMILES: O=C(N(C)C(C(N[C@@H](C1=O)CC(C)C)=O)=C)CC[C@H](C(O)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CCCNC(N)=N)NC([C@@H](C)[C@H](C(O)=O)NC([C@@H](N1)CC(C)C)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C52H80N10O12/c1-28(2)24-39-48(68)60-40(25-29(3)4)49(69)61-43(51(72)73)33(8)45(65)57-37(18-15-23-55-52(53)54)47(67)56-36(20-19-30(5)26-31(6)41(74-11)27-35-16-13-12-14-17-35)32(7)44(64)58-38(50(70)71)21-22-42(63)62(10)34(9)46(66)59-39/h12-14,16-17,19-20,26,28-29,31-33,36-41,43H,9,15,18,21-25,27H2,1-8,10-11H3,(H,56,67)(H,57,65)(H,58,64)(H,59,66)(H,60,68)(H,61,69)(H,70,71)(H,72,73)(H4,53,54,55)/b20-19+,30-26+/t31-,32-,33-,36-,37-,38+,39+,40-,41-,43+/m0/s1
+CH$LINK: PUBCHEM CID:636790
+CH$LINK: INCHIKEY PYRKYAINAPVHFV-OGPAHFFASA-N
+CH$LINK: CHEMSPIDER 552506
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1079
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 15.616 min
+MS$FOCUSED_ION: BASE_PEAK 519.3046
+MS$FOCUSED_ION: PRECURSOR_M/Z 1037.603
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-000i-9000000000-0ef49f98f5675df0f659
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  1037.6029 C52H81N10O12+ 1 1037.603 -0.1
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  1037.6029 1256058.6 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC199704.txt b/Eawag/MSBNK-EAWAG-EC199704.txt
new file mode 100644
index 0000000000..1702d03765
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC199704.txt
@@ -0,0 +1,80 @@
+ACCESSION: MSBNK-EAWAG-EC199704
+RECORD_TITLE: [D-Leu1]MC-LR; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], K. Thomas [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: http://dx.doi.org/10.1016/j.toxicon.2013.03.016
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1997
+CH$NAME: [D-Leu1]MC-LR
+CH$NAME: [D-Leu^(1)]-microcystin-LR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,12,19-trimethyl-2-methylidene-5,8-bis(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H80N10O12
+CH$EXACT_MASS: 1036.595718
+CH$SMILES: O=C(N(C)C(C(N[C@@H](C1=O)CC(C)C)=O)=C)CC[C@H](C(O)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CCCNC(N)=N)NC([C@@H](C)[C@H](C(O)=O)NC([C@@H](N1)CC(C)C)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C52H80N10O12/c1-28(2)24-39-48(68)60-40(25-29(3)4)49(69)61-43(51(72)73)33(8)45(65)57-37(18-15-23-55-52(53)54)47(67)56-36(20-19-30(5)26-31(6)41(74-11)27-35-16-13-12-14-17-35)32(7)44(64)58-38(50(70)71)21-22-42(63)62(10)34(9)46(66)59-39/h12-14,16-17,19-20,26,28-29,31-33,36-41,43H,9,15,18,21-25,27H2,1-8,10-11H3,(H,56,67)(H,57,65)(H,58,64)(H,59,66)(H,60,68)(H,61,69)(H,70,71)(H,72,73)(H4,53,54,55)/b20-19+,30-26+/t31-,32-,33-,36-,37-,38+,39+,40-,41-,43+/m0/s1
+CH$LINK: PUBCHEM CID:636790
+CH$LINK: INCHIKEY PYRKYAINAPVHFV-OGPAHFFASA-N
+CH$LINK: CHEMSPIDER 552506
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1079
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 15.616 min
+MS$FOCUSED_ION: BASE_PEAK 519.3046
+MS$FOCUSED_ION: PRECURSOR_M/Z 1037.603
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-000i-6943010000-2a4e61b17a61b9ecacfa
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  70.0652 C4H8N+ 1 70.0651 1.13
+  86.0964 C5H12N+ 1 86.0964 -0.76
+  107.0854 C8H11+ 1 107.0855 -1.47
+  135.0804 C9H11O+ 1 135.0804 -0.04
+  156.1241 C6H14N5+ 1 156.1244 -1.8
+  157.1084 C6H13N4O+ 1 157.1084 -0.15
+  163.1113 C11H15O+ 1 163.1117 -2.44
+  169.133 C9H17N2O+ 2 169.1335 -3.09
+  174.1346 C6H16N5O+ 1 174.1349 -1.83
+  197.1279 C8H15N5O+ 2 197.1271 3.83
+  213.0858 C7H11N5O3+ 1 213.0856 0.93
+  244.1293 C10H18N3O4+ 3 244.1292 0.62
+  285.1663 C10H25N2O7+ 3 285.1656 2.24
+  286.1508 C11H20N5O4+ 3 286.151 -0.74
+  375.1909 C4H27N10O10+ 6 375.1906 0.86
+  382.2073 C17H28N5O5+ 5 382.2085 -3.02
+  595.3565 C28H53NO12+ 10 595.3562 0.44
+  1037.6041 C52H81N10O12+ 1 1037.603 1.07
+PK$NUM_PEAK: 18
+PK$PEAK: m/z int. rel.int.
+  70.0652 32538.8 91
+  86.0964 66631.5 186
+  107.0854 50244 141
+  135.0804 179758.6 504
+  156.1241 39913.4 112
+  157.1084 50450.3 141
+  163.1113 83210 233
+  169.133 53375.6 149
+  174.1346 126714.1 355
+  197.1279 93357.1 262
+  213.0858 115751.5 324
+  244.1293 38991.1 109
+  285.1663 95493.9 267
+  286.1508 99503.1 279
+  375.1909 235554.9 661
+  382.2073 62104 174
+  595.3565 139566.5 391
+  1037.6041 355964.3 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC199705.txt b/Eawag/MSBNK-EAWAG-EC199705.txt
new file mode 100644
index 0000000000..094938d1f3
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC199705.txt
@@ -0,0 +1,130 @@
+ACCESSION: MSBNK-EAWAG-EC199705
+RECORD_TITLE: [D-Leu1]MC-LR; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], K. Thomas [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: http://dx.doi.org/10.1016/j.toxicon.2013.03.016
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1997
+CH$NAME: [D-Leu1]MC-LR
+CH$NAME: [D-Leu^(1)]-microcystin-LR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,12,19-trimethyl-2-methylidene-5,8-bis(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H80N10O12
+CH$EXACT_MASS: 1036.595718
+CH$SMILES: O=C(N(C)C(C(N[C@@H](C1=O)CC(C)C)=O)=C)CC[C@H](C(O)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CCCNC(N)=N)NC([C@@H](C)[C@H](C(O)=O)NC([C@@H](N1)CC(C)C)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C52H80N10O12/c1-28(2)24-39-48(68)60-40(25-29(3)4)49(69)61-43(51(72)73)33(8)45(65)57-37(18-15-23-55-52(53)54)47(67)56-36(20-19-30(5)26-31(6)41(74-11)27-35-16-13-12-14-17-35)32(7)44(64)58-38(50(70)71)21-22-42(63)62(10)34(9)46(66)59-39/h12-14,16-17,19-20,26,28-29,31-33,36-41,43H,9,15,18,21-25,27H2,1-8,10-11H3,(H,56,67)(H,57,65)(H,58,64)(H,59,66)(H,60,68)(H,61,69)(H,70,71)(H,72,73)(H4,53,54,55)/b20-19+,30-26+/t31-,32-,33-,36-,37-,38+,39+,40-,41-,43+/m0/s1
+CH$LINK: PUBCHEM CID:636790
+CH$LINK: INCHIKEY PYRKYAINAPVHFV-OGPAHFFASA-N
+CH$LINK: CHEMSPIDER 552506
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1079
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 15.616 min
+MS$FOCUSED_ION: BASE_PEAK 519.3046
+MS$FOCUSED_ION: PRECURSOR_M/Z 1037.603
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-01p9-1930000000-ba8dd72fedd55cffcb57
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  56.0495 C3H6N+ 1 56.0495 0.73
+  60.0557 CH6N3+ 1 60.0556 1.52
+  70.0651 C4H8N+ 1 70.0651 -0.18
+  84.0444 C4H6NO+ 1 84.0444 0.38
+  86.0964 C5H12N+ 1 86.0964 -0.23
+  93.0698 C7H9+ 1 93.0699 -1.05
+  105.0697 C8H9+ 1 105.0699 -1.39
+  107.0855 C8H11+ 1 107.0855 -0.4
+  112.0868 C5H10N3+ 1 112.0869 -1.13
+  113.0708 C5H9N2O+ 1 113.0709 -1
+  114.1026 C5H12N3+ 1 114.1026 0.64
+  115.0864 C5H11N2O+ 1 115.0866 -1.23
+  124.1119 C8H14N+ 1 124.1121 -1.06
+  135.0803 C9H11O+ 1 135.0804 -1.17
+  135.1165 C10H15+ 1 135.1168 -2.36
+  138.0551 C7H8NO2+ 1 138.055 0.82
+  156.1239 C6H14N5+ 1 156.1244 -2.88
+  157.1082 C6H13N4O+ 1 157.1084 -1.51
+  163.1113 C11H15O+ 1 163.1117 -2.44
+  167.081 C8H11N2O2+ 2 167.0815 -3.27
+  169.133 C9H17N2O+ 2 169.1335 -3.18
+  174.1343 C6H16N5O+ 3 174.1349 -3.41
+  175.1187 C6H15N4O2+ 1 175.119 -1.39
+  197.1277 C8H15N5O+ 2 197.1271 3.05
+  199.1802 C11H23N2O+ 1 199.1805 -1.68
+  200.1137 C6H18NO6+ 3 200.1129 4.24
+  201.0973 C6H17O7+ 3 201.0969 1.94
+  213.0862 C7H11N5O3+ 2 213.0856 2.58
+  225.1337 C9H21O6+ 3 225.1333 1.92
+  226.1179 C8H14N6O2+ 2 226.1173 2.82
+  226.1594 C2H22N6O6+ 2 226.1595 -0.52
+  237.1633 C3H27NO10+ 4 237.1629 1.31
+  239.0652 C8H9N5O4+ 3 239.0649 1.26
+  244.1285 C10H18N3O4+ 2 244.1292 -2.88
+  246.1485 C15H20NO2+ 4 246.1489 -1.39
+  258.1555 C9H24NO7+ 3 258.1547 2.9
+  258.1854 C17H24NO+ 4 258.1852 0.56
+  268.1399 C11H18N5O3+ 3 268.1404 -1.74
+  269.1243 C10H21O8+ 3 269.1231 4.48
+  286.1511 C11H20N5O4+ 3 286.151 0.33
+  329.1864 C3H25N10O8+ 4 329.1851 3.97
+  347.1966 C19H27N2O4+ 5 347.1965 0.25
+  375.1908 C4H27N10O10+ 5 375.1906 0.62
+PK$NUM_PEAK: 43
+PK$PEAK: m/z int. rel.int.
+  56.0495 54520.6 41
+  60.0557 28152 21
+  70.0651 396470.3 304
+  84.0444 107741.6 82
+  86.0964 406929.7 312
+  93.0698 55737.9 42
+  105.0697 105188 80
+  107.0855 428167.8 328
+  112.0868 299653.4 230
+  113.0708 66101.3 50
+  114.1026 22867.8 17
+  115.0864 133695.3 102
+  124.1119 46633 35
+  135.0803 1300965.2 999
+  135.1165 420950.2 323
+  138.0551 58499.4 44
+  156.1239 86422.9 66
+  157.1082 247768.6 190
+  163.1113 337048.2 258
+  167.081 60913.7 46
+  169.133 780924.4 599
+  174.1343 265033 203
+  175.1187 47176.4 36
+  197.1277 607167.4 466
+  199.1802 43119.2 33
+  200.1137 256565.2 197
+  201.0973 66566 51
+  213.0862 655057.5 503
+  225.1337 38164.9 29
+  226.1179 88229.4 67
+  226.1594 44803.7 34
+  237.1633 66465.8 51
+  239.0652 116181.5 89
+  244.1285 80655 61
+  246.1485 99857.3 76
+  258.1555 34826.9 26
+  258.1854 51420 39
+  268.1399 51632.8 39
+  269.1243 180712.1 138
+  286.1511 111170.1 85
+  329.1864 31210.9 23
+  347.1966 76789.7 58
+  375.1908 299186.4 229
+//
diff --git a/Eawag/MSBNK-EAWAG-EC199706.txt b/Eawag/MSBNK-EAWAG-EC199706.txt
new file mode 100644
index 0000000000..f2dd3487cf
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC199706.txt
@@ -0,0 +1,148 @@
+ACCESSION: MSBNK-EAWAG-EC199706
+RECORD_TITLE: [D-Leu1]MC-LR; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], K. Thomas [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: http://dx.doi.org/10.1016/j.toxicon.2013.03.016
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1997
+CH$NAME: [D-Leu1]MC-LR
+CH$NAME: [D-Leu^(1)]-microcystin-LR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,12,19-trimethyl-2-methylidene-5,8-bis(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H80N10O12
+CH$EXACT_MASS: 1036.595718
+CH$SMILES: O=C(N(C)C(C(N[C@@H](C1=O)CC(C)C)=O)=C)CC[C@H](C(O)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CCCNC(N)=N)NC([C@@H](C)[C@H](C(O)=O)NC([C@@H](N1)CC(C)C)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C52H80N10O12/c1-28(2)24-39-48(68)60-40(25-29(3)4)49(69)61-43(51(72)73)33(8)45(65)57-37(18-15-23-55-52(53)54)47(67)56-36(20-19-30(5)26-31(6)41(74-11)27-35-16-13-12-14-17-35)32(7)44(64)58-38(50(70)71)21-22-42(63)62(10)34(9)46(66)59-39/h12-14,16-17,19-20,26,28-29,31-33,36-41,43H,9,15,18,21-25,27H2,1-8,10-11H3,(H,56,67)(H,57,65)(H,58,64)(H,59,66)(H,60,68)(H,61,69)(H,70,71)(H,72,73)(H4,53,54,55)/b20-19+,30-26+/t31-,32-,33-,36-,37-,38+,39+,40-,41-,43+/m0/s1
+CH$LINK: PUBCHEM CID:636790
+CH$LINK: INCHIKEY PYRKYAINAPVHFV-OGPAHFFASA-N
+CH$LINK: CHEMSPIDER 552506
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1079
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 15.616 min
+MS$FOCUSED_ION: BASE_PEAK 519.3046
+MS$FOCUSED_ION: PRECURSOR_M/Z 1037.603
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00kr-2910000000-374a0ce13f1e8b5a2808
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  56.0494 C3H6N+ 1 56.0495 -1.04
+  60.0556 CH6N3+ 1 60.0556 -0.26
+  70.0651 C4H8N+ 1 70.0651 -0.39
+  79.054 C6H7+ 1 79.0542 -3.27
+  84.0444 C4H6NO+ 1 84.0444 -0.17
+  86.0964 C5H12N+ 1 86.0964 -0.23
+  91.0542 C7H7+ 1 91.0542 -0.03
+  93.0698 C7H9+ 1 93.0699 -1.05
+  95.0604 C5H7N2+ 1 95.0604 0.75
+  95.0854 C7H11+ 1 95.0855 -0.92
+  97.0761 C5H9N2+ 1 97.076 0.4
+  98.0599 C5H8NO+ 1 98.06 -1.15
+  103.0541 C8H7+ 1 103.0542 -1.54
+  105.0698 C8H9+ 1 105.0699 -0.66
+  107.0854 C8H11+ 1 107.0855 -0.9
+  112.0868 C5H10N3+ 1 112.0869 -1.06
+  113.0709 C5H9N2O+ 1 113.0709 -0.66
+  114.1023 C5H12N3+ 1 114.1026 -2.43
+  115.0864 C5H11N2O+ 1 115.0866 -1.63
+  117.0698 C9H9+ 1 117.0699 -0.85
+  124.0755 C7H10NO+ 1 124.0757 -1.91
+  124.112 C8H14N+ 1 124.1121 -0.94
+  131.0851 C10H11+ 1 131.0855 -3.4
+  135.0803 C9H11O+ 1 135.0804 -1.28
+  135.1164 C10H15+ 1 135.1168 -2.93
+  138.0549 C7H8NO2+ 1 138.055 -0.61
+  140.0816 C6H10N3O+ 1 140.0818 -1.88
+  141.0657 C6H9N2O2+ 1 141.0659 -1.16
+  141.1384 C8H17N2+ 1 141.1386 -1.72
+  145.1011 C11H13+ 1 145.1012 -0.45
+  157.1083 C6H13N4O+ 1 157.1084 -0.54
+  158.0919 C6H12N3O2+ 1 158.0924 -3.05
+  163.1113 C11H15O+ 1 163.1117 -3
+  167.0812 C8H11N2O2+ 1 167.0815 -1.81
+  169.133 C9H17N2O+ 2 169.1335 -3.18
+  174.1343 C6H16N5O+ 3 174.1349 -3.41
+  175.1185 C6H15N4O2+ 1 175.119 -2.35
+  182.103 C7H12N5O+ 3 182.1036 -3.53
+  183.087 C6H15O6+ 3 183.0863 3.88
+  188.1429 C13H18N+ 1 188.1434 -2.48
+  195.0757 C9H11N2O3+ 2 195.0764 -3.46
+  197.1276 C8H15N5O+ 2 197.1271 2.66
+  199.1798 C11H23N2O+ 2 199.1805 -3.36
+  200.1136 C6H18NO6+ 3 200.1129 3.47
+  201.0975 C6H17O7+ 3 201.0969 2.93
+  213.0861 C7H11N5O3+ 2 213.0856 2.15
+  218.1531 C14H20NO+ 2 218.1539 -3.83
+  226.1177 C8H14N6O2+ 2 226.1173 2.01
+  226.1587 C16H20N+ 4 226.159 -1.31
+  244.1289 C10H18N3O4+ 2 244.1292 -1.32
+  246.1488 C15H20NO2+ 3 246.1489 -0.33
+  269.1241 C10H21O8+ 3 269.1231 3.8
+PK$NUM_PEAK: 52
+PK$PEAK: m/z int. rel.int.
+  56.0494 167539.6 87
+  60.0556 58890.4 30
+  70.0651 982170.9 511
+  79.054 46981.7 24
+  84.0444 263747.4 137
+  86.0964 482433.1 251
+  91.0542 131660.7 68
+  93.0698 201746 104
+  95.0604 21318.3 11
+  95.0854 20075.5 10
+  97.0761 51200.4 26
+  98.0599 48489.9 25
+  103.0541 268850 139
+  105.0698 373818.9 194
+  107.0854 896345.8 466
+  112.0868 414176.2 215
+  113.0709 103674.2 53
+  114.1023 74425.6 38
+  115.0864 237941.8 123
+  117.0698 175047.3 91
+  124.0755 28410 14
+  124.112 51998.6 27
+  131.0851 47843.3 24
+  135.0803 1919730.1 999
+  135.1164 636631 331
+  138.0549 116563 60
+  140.0816 147908 76
+  141.0657 101364.6 52
+  141.1384 107106 55
+  145.1011 43732.1 22
+  157.1083 197074.2 102
+  158.0919 61967.6 32
+  163.1113 289297.9 150
+  167.0812 145615.2 75
+  169.133 1626795.4 846
+  174.1343 152266.8 79
+  175.1185 58586.1 30
+  182.103 36259.2 18
+  183.087 74742.3 38
+  188.1429 27732 14
+  195.0757 127459.6 66
+  197.1276 360243.6 187
+  199.1798 26731.4 13
+  200.1136 263194.9 136
+  201.0975 106718.8 55
+  213.0861 623595.6 324
+  218.1531 34169 17
+  226.1177 112492.4 58
+  226.1587 35799.1 18
+  244.1289 30754.1 16
+  246.1488 51449.9 26
+  269.1241 93052.1 48
+//
diff --git a/Eawag/MSBNK-EAWAG-EC199707.txt b/Eawag/MSBNK-EAWAG-EC199707.txt
new file mode 100644
index 0000000000..d1fb183dcf
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC199707.txt
@@ -0,0 +1,158 @@
+ACCESSION: MSBNK-EAWAG-EC199707
+RECORD_TITLE: [D-Leu1]MC-LR; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], K. Thomas [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: http://dx.doi.org/10.1016/j.toxicon.2013.03.016
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1997
+CH$NAME: [D-Leu1]MC-LR
+CH$NAME: [D-Leu^(1)]-microcystin-LR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,12,19-trimethyl-2-methylidene-5,8-bis(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H80N10O12
+CH$EXACT_MASS: 1036.595718
+CH$SMILES: O=C(N(C)C(C(N[C@@H](C1=O)CC(C)C)=O)=C)CC[C@H](C(O)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CCCNC(N)=N)NC([C@@H](C)[C@H](C(O)=O)NC([C@@H](N1)CC(C)C)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C52H80N10O12/c1-28(2)24-39-48(68)60-40(25-29(3)4)49(69)61-43(51(72)73)33(8)45(65)57-37(18-15-23-55-52(53)54)47(67)56-36(20-19-30(5)26-31(6)41(74-11)27-35-16-13-12-14-17-35)32(7)44(64)58-38(50(70)71)21-22-42(63)62(10)34(9)46(66)59-39/h12-14,16-17,19-20,26,28-29,31-33,36-41,43H,9,15,18,21-25,27H2,1-8,10-11H3,(H,56,67)(H,57,65)(H,58,64)(H,59,66)(H,60,68)(H,61,69)(H,70,71)(H,72,73)(H4,53,54,55)/b20-19+,30-26+/t31-,32-,33-,36-,37-,38+,39+,40-,41-,43+/m0/s1
+CH$LINK: PUBCHEM CID:636790
+CH$LINK: INCHIKEY PYRKYAINAPVHFV-OGPAHFFASA-N
+CH$LINK: CHEMSPIDER 552506
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1079
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 15.616 min
+MS$FOCUSED_ION: BASE_PEAK 519.3046
+MS$FOCUSED_ION: PRECURSOR_M/Z 1037.603
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-05tr-3900000000-839edc6837e439b1eac0
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  56.0494 C3H6N+ 1 56.0495 -0.9
+  60.0556 CH6N3+ 1 60.0556 -0.01
+  69.0335 C4H5O+ 1 69.0335 0.35
+  70.0651 C4H8N+ 1 70.0651 -0.61
+  72.0809 C4H10N+ 1 72.0808 1.39
+  79.0542 C6H7+ 1 79.0542 -0.28
+  82.0287 C4H4NO+ 1 82.0287 -0.12
+  82.065 C5H8N+ 1 82.0651 -1.71
+  84.0444 C4H6NO+ 1 84.0444 -0.07
+  85.076 C4H9N2+ 1 85.076 0.11
+  86.0964 C5H12N+ 1 86.0964 -0.58
+  87.0792 C3H9N3+ 1 87.0791 1.56
+  91.0542 C7H7+ 1 91.0542 -0.28
+  93.0697 C7H9+ 1 93.0699 -1.38
+  95.0492 C6H7O+ 1 95.0491 0.46
+  95.0604 C5H7N2+ 1 95.0604 0.02
+  97.076 C5H9N2+ 1 97.076 -0.39
+  98.0598 C5H8NO+ 1 98.06 -2.47
+  98.0963 C6H12N+ 1 98.0964 -1
+  103.0541 C8H7+ 1 103.0542 -0.94
+  105.0698 C8H9+ 1 105.0699 -0.88
+  107.0855 C8H11+ 1 107.0855 -0.68
+  110.0604 C6H8NO+ 1 110.06 3.04
+  112.0393 C5H6NO2+ 1 112.0393 0.4
+  112.0868 C5H10N3+ 1 112.0869 -1.13
+  113.0709 C5H9N2O+ 1 113.0709 -0.12
+  114.1027 C5H12N3+ 1 114.1026 0.91
+  115.0865 C5H11N2O+ 1 115.0866 -0.83
+  117.0698 C9H9+ 1 117.0699 -1.04
+  119.0855 C9H11+ 1 119.0855 -0.02
+  120.0807 C8H10N+ 1 120.0808 -0.35
+  124.1121 C8H14N+ 1 124.1121 0.41
+  130.0498 C5H8NO3+ 1 130.0499 -0.7
+  130.0974 C5H12N3O+ 1 130.0975 -0.9
+  131.0852 C10H11+ 1 131.0855 -2.81
+  135.0803 C9H11O+ 1 135.0804 -1.39
+  135.1164 C10H15+ 1 135.1168 -3.26
+  138.0548 C7H8NO2+ 1 138.055 -0.83
+  140.0819 C6H10N3O+ 1 140.0818 0.19
+  141.0655 C6H9N2O2+ 1 141.0659 -2.35
+  141.1384 C8H17N2+ 1 141.1386 -1.4
+  145.1013 C11H13+ 1 145.1012 0.6
+  149.0704 C8H9N2O+ 1 149.0709 -3.35
+  153.1017 C8H13N2O+ 1 153.1022 -3.71
+  157.1083 C6H13N4O+ 1 157.1084 -0.83
+  158.0921 C6H12N3O2+ 1 158.0924 -1.9
+  163.1113 C11H15O+ 1 163.1117 -2.44
+  167.0809 C8H11N2O2+ 2 167.0815 -3.36
+  169.133 C9H17N2O+ 2 169.1335 -3.18
+  174.1345 C6H16N5O+ 1 174.1349 -2.62
+  175.1188 C6H15N4O2+ 1 175.119 -0.78
+  195.0758 C9H11N2O3+ 2 195.0764 -3.15
+  197.1273 C8H15N5O+ 1 197.1271 0.88
+  200.1136 C6H18NO6+ 3 200.1129 3.78
+  201.0978 C6H17O7+ 3 201.0969 4.52
+  213.0859 C7H11N5O3+ 1 213.0856 1.29
+  226.1179 C8H14N6O2+ 2 226.1173 2.55
+PK$NUM_PEAK: 57
+PK$PEAK: m/z int. rel.int.
+  56.0494 403928.4 265
+  60.0556 80358.4 52
+  69.0335 38539.5 25
+  70.0651 1377775 904
+  72.0809 26266.7 17
+  79.0542 113053.2 74
+  82.0287 20683.6 13
+  82.065 49895.9 32
+  84.0444 350567.8 230
+  85.076 26177.9 17
+  86.0964 449303.4 294
+  87.0792 33381.3 21
+  91.0542 242139.2 158
+  93.0697 271420.2 178
+  95.0492 27007.3 17
+  95.0604 52621.9 34
+  97.076 84027.5 55
+  98.0598 95679.1 62
+  98.0963 89292.6 58
+  103.0541 722430 474
+  105.0698 724932.4 475
+  107.0855 971014.2 637
+  110.0604 33091.1 21
+  112.0393 26881.1 17
+  112.0868 416832.9 273
+  113.0709 102717.2 67
+  114.1027 75901.2 49
+  115.0865 244750 160
+  117.0698 323741.1 212
+  119.0855 41532.2 27
+  120.0807 49638.9 32
+  124.1121 33602.7 22
+  130.0498 51935.3 34
+  130.0974 41774.2 27
+  131.0852 57376.8 37
+  135.0803 1444788.9 948
+  135.1164 469825.3 308
+  138.0548 107899.2 70
+  140.0819 134819.6 88
+  141.0655 195686.8 128
+  141.1384 218061.3 143
+  145.1013 40648.5 26
+  149.0704 41164 27
+  153.1017 28436.3 18
+  157.1083 143409.1 94
+  158.0921 45272.2 29
+  163.1113 113984.2 74
+  167.0809 234160.6 153
+  169.133 1521765.8 999
+  174.1345 44275.2 29
+  175.1188 21891.4 14
+  195.0758 135017.6 88
+  197.1273 96853.7 63
+  200.1136 116505.1 76
+  201.0978 62443.4 40
+  213.0859 309817.8 203
+  226.1179 37474.6 24
+//
diff --git a/Eawag/MSBNK-EAWAG-EC199708.txt b/Eawag/MSBNK-EAWAG-EC199708.txt
new file mode 100644
index 0000000000..bd9c0e70c1
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC199708.txt
@@ -0,0 +1,136 @@
+ACCESSION: MSBNK-EAWAG-EC199708
+RECORD_TITLE: [D-Leu1]MC-LR; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], K. Thomas [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: http://dx.doi.org/10.1016/j.toxicon.2013.03.016
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1997
+CH$NAME: [D-Leu1]MC-LR
+CH$NAME: [D-Leu^(1)]-microcystin-LR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,12,19-trimethyl-2-methylidene-5,8-bis(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H80N10O12
+CH$EXACT_MASS: 1036.595718
+CH$SMILES: O=C(N(C)C(C(N[C@@H](C1=O)CC(C)C)=O)=C)CC[C@H](C(O)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CCCNC(N)=N)NC([C@@H](C)[C@H](C(O)=O)NC([C@@H](N1)CC(C)C)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C52H80N10O12/c1-28(2)24-39-48(68)60-40(25-29(3)4)49(69)61-43(51(72)73)33(8)45(65)57-37(18-15-23-55-52(53)54)47(67)56-36(20-19-30(5)26-31(6)41(74-11)27-35-16-13-12-14-17-35)32(7)44(64)58-38(50(70)71)21-22-42(63)62(10)34(9)46(66)59-39/h12-14,16-17,19-20,26,28-29,31-33,36-41,43H,9,15,18,21-25,27H2,1-8,10-11H3,(H,56,67)(H,57,65)(H,58,64)(H,59,66)(H,60,68)(H,61,69)(H,70,71)(H,72,73)(H4,53,54,55)/b20-19+,30-26+/t31-,32-,33-,36-,37-,38+,39+,40-,41-,43+/m0/s1
+CH$LINK: PUBCHEM CID:636790
+CH$LINK: INCHIKEY PYRKYAINAPVHFV-OGPAHFFASA-N
+CH$LINK: CHEMSPIDER 552506
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1079
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 15.616 min
+MS$FOCUSED_ION: BASE_PEAK 519.3046
+MS$FOCUSED_ION: PRECURSOR_M/Z 1037.603
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0pi0-5900000000-236308e79275958fdc2b
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  56.0494 C3H6N+ 1 56.0495 -0.9
+  58.0651 C3H8N+ 1 58.0651 -0.88
+  60.0555 CH6N3+ 1 60.0556 -2.87
+  68.0494 C4H6N+ 1 68.0495 -0.61
+  69.0334 C4H5O+ 1 69.0335 -1.31
+  70.0651 C4H8N+ 1 70.0651 -0.5
+  72.0808 C4H10N+ 1 72.0808 -0.3
+  77.0389 C6H5+ 1 77.0386 3.92
+  79.0541 C6H7+ 1 79.0542 -1.63
+  82.0287 C4H4NO+ 1 82.0287 0.06
+  82.0651 C5H8N+ 1 82.0651 0.24
+  84.0444 C4H6NO+ 1 84.0444 -0.17
+  86.0964 C5H12N+ 1 86.0964 -0.5
+  91.0542 C7H7+ 1 91.0542 -0.7
+  93.0698 C7H9+ 1 93.0699 -0.48
+  95.0492 C6H7O+ 1 95.0491 1.02
+  95.0605 C5H7N2+ 1 95.0604 1.79
+  97.0759 C5H9N2+ 1 97.076 -0.94
+  98.0602 C5H8NO+ 1 98.06 1.26
+  98.0964 C6H12N+ 1 98.0964 -0.62
+  99.0188 C3H3N2O2+ 1 99.0189 -1.53
+  103.0541 C8H7+ 1 103.0542 -0.87
+  105.0698 C8H9+ 1 105.0699 -0.44
+  107.0854 C8H11+ 1 107.0855 -0.76
+  112.0868 C5H10N3+ 1 112.0869 -1.2
+  113.0232 C5H5O3+ 1 113.0233 -0.89
+  113.0709 C5H9N2O+ 1 113.0709 -0.25
+  114.1026 C5H12N3+ 1 114.1026 0.18
+  115.0541 C9H7+ 1 115.0542 -1.04
+  115.0865 C5H11N2O+ 1 115.0866 -0.37
+  117.0698 C9H9+ 1 117.0699 -0.52
+  119.0856 C9H11+ 1 119.0855 0.62
+  120.0567 C8H8O+ 1 120.057 -2.02
+  120.0811 C8H10N+ 1 120.0808 2.76
+  130.0498 C5H8NO3+ 1 130.0499 -0.81
+  131.0852 C10H11+ 1 131.0855 -2.58
+  135.0803 C9H11O+ 1 135.0804 -1.39
+  135.1163 C10H15+ 1 135.1168 -3.83
+  138.0545 C7H8NO2+ 1 138.055 -3.05
+  141.0657 C6H9N2O2+ 1 141.0659 -1.05
+  141.1385 C8H17N2+ 1 141.1386 -1.07
+  149.0704 C8H9N2O+ 1 149.0709 -3.55
+  167.081 C8H11N2O2+ 2 167.0815 -3.18
+  169.133 C9H17N2O+ 2 169.1335 -3.09
+  172.1114 C12H14N+ 1 172.1121 -3.94
+  213.0862 C7H11N5O3+ 2 213.0856 2.44
+PK$NUM_PEAK: 46
+PK$PEAK: m/z int. rel.int.
+  56.0494 588944.8 400
+  58.0651 15606.2 10
+  60.0555 54744.8 37
+  68.0494 21989 14
+  69.0334 40402.2 27
+  70.0651 1467690.4 999
+  72.0808 33339.6 22
+  77.0389 33765.3 22
+  79.0541 124446.2 84
+  82.0287 27176 18
+  82.0651 92756.2 63
+  84.0444 347165 236
+  86.0964 317569.2 216
+  91.0542 338055.6 230
+  93.0698 273952.8 186
+  95.0492 86069.7 58
+  95.0605 71032 48
+  97.0759 100361.4 68
+  98.0602 124992.5 85
+  98.0964 131906 89
+  99.0188 25104.8 17
+  103.0541 1249973.1 850
+  105.0698 815910.9 555
+  107.0854 862662.9 587
+  112.0868 268982.2 183
+  113.0232 35732.5 24
+  113.0709 109652.9 74
+  114.1026 52723.2 35
+  115.0541 130929.9 89
+  115.0865 159685.5 108
+  117.0698 313283.9 213
+  119.0856 45315.9 30
+  120.0567 22140.1 15
+  120.0811 45956.5 31
+  130.0498 40961.9 27
+  131.0852 39302.1 26
+  135.0803 746167.1 507
+  135.1163 209571.8 142
+  138.0545 64695.3 44
+  141.0657 153300 104
+  141.1385 210468.9 143
+  149.0704 57252.1 38
+  167.081 222384.3 151
+  169.133 941561.2 640
+  172.1114 22635.5 15
+  213.0862 126077.3 85
+//
diff --git a/Eawag/MSBNK-EAWAG-EC199709.txt b/Eawag/MSBNK-EAWAG-EC199709.txt
new file mode 100644
index 0000000000..6b0d4ba126
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC199709.txt
@@ -0,0 +1,152 @@
+ACCESSION: MSBNK-EAWAG-EC199709
+RECORD_TITLE: [D-Leu1]MC-LR; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], K. Thomas [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: http://dx.doi.org/10.1016/j.toxicon.2013.03.016
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1997
+CH$NAME: [D-Leu1]MC-LR
+CH$NAME: [D-Leu^(1)]-microcystin-LR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,12,19-trimethyl-2-methylidene-5,8-bis(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H80N10O12
+CH$EXACT_MASS: 1036.595718
+CH$SMILES: O=C(N(C)C(C(N[C@@H](C1=O)CC(C)C)=O)=C)CC[C@H](C(O)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CCCNC(N)=N)NC([C@@H](C)[C@H](C(O)=O)NC([C@@H](N1)CC(C)C)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C52H80N10O12/c1-28(2)24-39-48(68)60-40(25-29(3)4)49(69)61-43(51(72)73)33(8)45(65)57-37(18-15-23-55-52(53)54)47(67)56-36(20-19-30(5)26-31(6)41(74-11)27-35-16-13-12-14-17-35)32(7)44(64)58-38(50(70)71)21-22-42(63)62(10)34(9)46(66)59-39/h12-14,16-17,19-20,26,28-29,31-33,36-41,43H,9,15,18,21-25,27H2,1-8,10-11H3,(H,56,67)(H,57,65)(H,58,64)(H,59,66)(H,60,68)(H,61,69)(H,70,71)(H,72,73)(H4,53,54,55)/b20-19+,30-26+/t31-,32-,33-,36-,37-,38+,39+,40-,41-,43+/m0/s1
+CH$LINK: PUBCHEM CID:636790
+CH$LINK: INCHIKEY PYRKYAINAPVHFV-OGPAHFFASA-N
+CH$LINK: CHEMSPIDER 552506
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1079
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 15.616 min
+MS$FOCUSED_ION: BASE_PEAK 519.3046
+MS$FOCUSED_ION: PRECURSOR_M/Z 1037.603
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0pi0-7900000000-6ce293501b6d09b0ccf6
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  55.0542 C4H7+ 1 55.0542 -0.58
+  56.0494 C3H6N+ 1 56.0495 -0.83
+  60.0555 CH6N3+ 1 60.0556 -2.04
+  68.0494 C4H6N+ 1 68.0495 -1.39
+  69.0335 C4H5O+ 1 69.0335 0.35
+  70.0651 C4H8N+ 1 70.0651 -0.5
+  71.049 C4H7O+ 1 71.0491 -1.72
+  72.0807 C4H10N+ 1 72.0808 -1.36
+  77.0385 C6H5+ 1 77.0386 -1.23
+  79.0542 C6H7+ 1 79.0542 -0.76
+  80.0494 C5H6N+ 1 80.0495 -1.22
+  82.0286 C4H4NO+ 1 82.0287 -1.24
+  82.0652 C5H8N+ 1 82.0651 0.7
+  84.0444 C4H6NO+ 1 84.0444 0.11
+  85.0284 C4H5O2+ 1 85.0284 0.06
+  85.076 C4H9N2+ 1 85.076 0.29
+  86.06 C4H8NO+ 1 86.06 -0.31
+  86.0964 C5H12N+ 1 86.0964 -0.58
+  91.0541 C7H7+ 1 91.0542 -0.87
+  93.0697 C7H9+ 1 93.0699 -1.38
+  94.0649 C6H8N+ 1 94.0651 -1.97
+  95.0491 C6H7O+ 1 95.0491 -0.43
+  95.0602 C5H7N2+ 1 95.0604 -2.3
+  97.0761 C5H9N2+ 1 97.076 0.79
+  98.0599 C5H8NO+ 1 98.06 -1.54
+  98.0963 C6H12N+ 1 98.0964 -0.85
+  99.0188 C3H3N2O2+ 1 99.0189 -0.99
+  103.0541 C8H7+ 1 103.0542 -0.94
+  105.0698 C8H9+ 1 105.0699 -0.73
+  107.0854 C8H11+ 1 107.0855 -0.9
+  109.0648 C7H9O+ 1 109.0648 -0.24
+  110.06 C6H8NO+ 1 110.06 -0.36
+  112.0868 C5H10N3+ 1 112.0869 -0.93
+  113.0232 C5H5O3+ 1 113.0233 -1.37
+  113.0708 C5H9N2O+ 1 113.0709 -1.67
+  115.0542 C9H7+ 1 115.0542 -0.31
+  115.0865 C5H11N2O+ 1 115.0866 -1.03
+  117.0698 C9H9+ 1 117.0699 -0.58
+  119.0853 C9H11+ 1 119.0855 -1.94
+  120.0568 C8H8O+ 1 120.057 -1.06
+  120.0807 C8H10N+ 1 120.0808 -0.29
+  121.0758 C7H9N2+ 1 121.076 -1.69
+  126.0788 C6H10N2O+ 1 126.0788 -0.11
+  130.0499 C5H8NO3+ 1 130.0499 0.01
+  131.0855 C10H11+ 1 131.0855 -0.02
+  135.0802 C9H11O+ 1 135.0804 -1.85
+  135.1166 C10H15+ 1 135.1168 -1.46
+  141.0656 C6H9N2O2+ 1 141.0659 -1.81
+  141.1384 C8H17N2+ 1 141.1386 -1.72
+  149.0703 C8H9N2O+ 2 149.0709 -4.58
+  167.0809 C8H11N2O2+ 2 167.0815 -3.82
+  169.133 C9H17N2O+ 1 169.1335 -2.91
+  195.076 C9H11N2O3+ 2 195.0764 -2.13
+  213.0857 C7H11N5O3+ 1 213.0856 0.36
+PK$NUM_PEAK: 54
+PK$PEAK: m/z int. rel.int.
+  55.0542 20026.6 11
+  56.0494 729108.2 433
+  60.0555 63920.5 38
+  68.0494 28529.5 16
+  69.0335 48657.3 28
+  70.0651 1459503.4 867
+  71.049 29779.7 17
+  72.0807 37888.3 22
+  77.0385 59305.6 35
+  79.0542 181919.9 108
+  80.0494 36193.8 21
+  82.0286 66329.1 39
+  82.0652 97387.2 57
+  84.0444 303611 180
+  85.0284 35091.5 20
+  85.076 31000.3 18
+  86.06 21477.9 12
+  86.0964 211192.1 125
+  91.0541 508883.1 302
+  93.0697 231493.6 137
+  94.0649 25463.2 15
+  95.0491 178105.6 105
+  95.0602 64841.4 38
+  97.0761 107596.8 63
+  98.0599 164932 98
+  98.0963 150025.8 89
+  99.0188 30386.6 18
+  103.0541 1680373.2 999
+  105.0698 785071.7 466
+  107.0854 676501.9 402
+  109.0648 60531.6 35
+  110.06 29214.1 17
+  112.0868 190101.7 113
+  113.0232 45830.3 27
+  113.0708 70351.2 41
+  115.0542 184252.4 109
+  115.0865 103213.2 61
+  117.0698 234350.7 139
+  119.0853 55531.3 33
+  120.0568 26992 16
+  120.0807 32831.1 19
+  121.0758 45872.5 27
+  126.0788 53734.5 31
+  130.0499 33718.1 20
+  131.0855 39761.3 23
+  135.0802 281900.1 167
+  135.1166 96895.7 57
+  141.0656 100127.6 59
+  141.1384 124884.1 74
+  149.0703 58771.2 34
+  167.0809 130171.3 77
+  169.133 479262.1 284
+  195.076 31914.8 18
+  213.0857 36549.6 21
+//
diff --git a/Eawag/MSBNK-EAWAG-EC199751.txt b/Eawag/MSBNK-EAWAG-EC199751.txt
new file mode 100644
index 0000000000..f669958a99
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC199751.txt
@@ -0,0 +1,46 @@
+ACCESSION: MSBNK-EAWAG-EC199751
+RECORD_TITLE: [D-Leu1]MC-LR; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], K. Thomas [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: http://dx.doi.org/10.1016/j.toxicon.2013.03.016
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1997
+CH$NAME: [D-Leu1]MC-LR
+CH$NAME: [D-Leu^(1)]-microcystin-LR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,12,19-trimethyl-2-methylidene-5,8-bis(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H80N10O12
+CH$EXACT_MASS: 1036.595718
+CH$SMILES: O=C(N(C)C(C(N[C@@H](C1=O)CC(C)C)=O)=C)CC[C@H](C(O)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CCCNC(N)=N)NC([C@@H](C)[C@H](C(O)=O)NC([C@@H](N1)CC(C)C)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C52H80N10O12/c1-28(2)24-39-48(68)60-40(25-29(3)4)49(69)61-43(51(72)73)33(8)45(65)57-37(18-15-23-55-52(53)54)47(67)56-36(20-19-30(5)26-31(6)41(74-11)27-35-16-13-12-14-17-35)32(7)44(64)58-38(50(70)71)21-22-42(63)62(10)34(9)46(66)59-39/h12-14,16-17,19-20,26,28-29,31-33,36-41,43H,9,15,18,21-25,27H2,1-8,10-11H3,(H,56,67)(H,57,65)(H,58,64)(H,59,66)(H,60,68)(H,61,69)(H,70,71)(H,72,73)(H4,53,54,55)/b20-19+,30-26+/t31-,32-,33-,36-,37-,38+,39+,40-,41-,43+/m0/s1
+CH$LINK: PUBCHEM CID:636790
+CH$LINK: INCHIKEY PYRKYAINAPVHFV-OGPAHFFASA-N
+CH$LINK: CHEMSPIDER 552506
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1077
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 15.576 min
+MS$FOCUSED_ION: BASE_PEAK 1035.5882
+MS$FOCUSED_ION: PRECURSOR_M/Z 1035.5884
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-000i-9000000000-be8da533d5dd3a2be5c1
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  1035.5876 C52H79N10O12- 1 1035.5884 -0.78
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  1035.5876 3361732.2 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC199752.txt b/Eawag/MSBNK-EAWAG-EC199752.txt
new file mode 100644
index 0000000000..e82bdb70c2
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC199752.txt
@@ -0,0 +1,48 @@
+ACCESSION: MSBNK-EAWAG-EC199752
+RECORD_TITLE: [D-Leu1]MC-LR; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], K. Thomas [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: http://dx.doi.org/10.1016/j.toxicon.2013.03.016
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1997
+CH$NAME: [D-Leu1]MC-LR
+CH$NAME: [D-Leu^(1)]-microcystin-LR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,12,19-trimethyl-2-methylidene-5,8-bis(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H80N10O12
+CH$EXACT_MASS: 1036.595718
+CH$SMILES: O=C(N(C)C(C(N[C@@H](C1=O)CC(C)C)=O)=C)CC[C@H](C(O)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CCCNC(N)=N)NC([C@@H](C)[C@H](C(O)=O)NC([C@@H](N1)CC(C)C)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C52H80N10O12/c1-28(2)24-39-48(68)60-40(25-29(3)4)49(69)61-43(51(72)73)33(8)45(65)57-37(18-15-23-55-52(53)54)47(67)56-36(20-19-30(5)26-31(6)41(74-11)27-35-16-13-12-14-17-35)32(7)44(64)58-38(50(70)71)21-22-42(63)62(10)34(9)46(66)59-39/h12-14,16-17,19-20,26,28-29,31-33,36-41,43H,9,15,18,21-25,27H2,1-8,10-11H3,(H,56,67)(H,57,65)(H,58,64)(H,59,66)(H,60,68)(H,61,69)(H,70,71)(H,72,73)(H4,53,54,55)/b20-19+,30-26+/t31-,32-,33-,36-,37-,38+,39+,40-,41-,43+/m0/s1
+CH$LINK: PUBCHEM CID:636790
+CH$LINK: INCHIKEY PYRKYAINAPVHFV-OGPAHFFASA-N
+CH$LINK: CHEMSPIDER 552506
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1077
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 15.576 min
+MS$FOCUSED_ION: BASE_PEAK 1035.5882
+MS$FOCUSED_ION: PRECURSOR_M/Z 1035.5884
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-000i-9000000000-8d64ddc9254ba9a3fda0
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  1017.5771 C52H77N10O11- 1 1017.5779 -0.81
+  1035.5879 C52H79N10O12- 1 1035.5884 -0.54
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  1017.5771 316733.8 125
+  1035.5879 2521388.8 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC199753.txt b/Eawag/MSBNK-EAWAG-EC199753.txt
new file mode 100644
index 0000000000..62a825fc52
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC199753.txt
@@ -0,0 +1,48 @@
+ACCESSION: MSBNK-EAWAG-EC199753
+RECORD_TITLE: [D-Leu1]MC-LR; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], K. Thomas [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: http://dx.doi.org/10.1016/j.toxicon.2013.03.016
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1997
+CH$NAME: [D-Leu1]MC-LR
+CH$NAME: [D-Leu^(1)]-microcystin-LR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,12,19-trimethyl-2-methylidene-5,8-bis(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H80N10O12
+CH$EXACT_MASS: 1036.595718
+CH$SMILES: O=C(N(C)C(C(N[C@@H](C1=O)CC(C)C)=O)=C)CC[C@H](C(O)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CCCNC(N)=N)NC([C@@H](C)[C@H](C(O)=O)NC([C@@H](N1)CC(C)C)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C52H80N10O12/c1-28(2)24-39-48(68)60-40(25-29(3)4)49(69)61-43(51(72)73)33(8)45(65)57-37(18-15-23-55-52(53)54)47(67)56-36(20-19-30(5)26-31(6)41(74-11)27-35-16-13-12-14-17-35)32(7)44(64)58-38(50(70)71)21-22-42(63)62(10)34(9)46(66)59-39/h12-14,16-17,19-20,26,28-29,31-33,36-41,43H,9,15,18,21-25,27H2,1-8,10-11H3,(H,56,67)(H,57,65)(H,58,64)(H,59,66)(H,60,68)(H,61,69)(H,70,71)(H,72,73)(H4,53,54,55)/b20-19+,30-26+/t31-,32-,33-,36-,37-,38+,39+,40-,41-,43+/m0/s1
+CH$LINK: PUBCHEM CID:636790
+CH$LINK: INCHIKEY PYRKYAINAPVHFV-OGPAHFFASA-N
+CH$LINK: CHEMSPIDER 552506
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1077
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 15.576 min
+MS$FOCUSED_ION: BASE_PEAK 1035.5882
+MS$FOCUSED_ION: PRECURSOR_M/Z 1035.5884
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00kr-9000000000-0e80d09596490272dbca
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  1017.5764 C52H77N10O11- 1 1017.5779 -1.41
+  1035.5878 C52H79N10O12- 1 1035.5884 -0.66
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  1017.5764 869037.2 776
+  1035.5878 1118165.1 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC199754.txt b/Eawag/MSBNK-EAWAG-EC199754.txt
new file mode 100644
index 0000000000..54410e288d
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC199754.txt
@@ -0,0 +1,50 @@
+ACCESSION: MSBNK-EAWAG-EC199754
+RECORD_TITLE: [D-Leu1]MC-LR; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], K. Thomas [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: http://dx.doi.org/10.1016/j.toxicon.2013.03.016
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1997
+CH$NAME: [D-Leu1]MC-LR
+CH$NAME: [D-Leu^(1)]-microcystin-LR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,12,19-trimethyl-2-methylidene-5,8-bis(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H80N10O12
+CH$EXACT_MASS: 1036.595718
+CH$SMILES: O=C(N(C)C(C(N[C@@H](C1=O)CC(C)C)=O)=C)CC[C@H](C(O)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CCCNC(N)=N)NC([C@@H](C)[C@H](C(O)=O)NC([C@@H](N1)CC(C)C)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C52H80N10O12/c1-28(2)24-39-48(68)60-40(25-29(3)4)49(69)61-43(51(72)73)33(8)45(65)57-37(18-15-23-55-52(53)54)47(67)56-36(20-19-30(5)26-31(6)41(74-11)27-35-16-13-12-14-17-35)32(7)44(64)58-38(50(70)71)21-22-42(63)62(10)34(9)46(66)59-39/h12-14,16-17,19-20,26,28-29,31-33,36-41,43H,9,15,18,21-25,27H2,1-8,10-11H3,(H,56,67)(H,57,65)(H,58,64)(H,59,66)(H,60,68)(H,61,69)(H,70,71)(H,72,73)(H4,53,54,55)/b20-19+,30-26+/t31-,32-,33-,36-,37-,38+,39+,40-,41-,43+/m0/s1
+CH$LINK: PUBCHEM CID:636790
+CH$LINK: INCHIKEY PYRKYAINAPVHFV-OGPAHFFASA-N
+CH$LINK: CHEMSPIDER 552506
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1077
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 15.576 min
+MS$FOCUSED_ION: BASE_PEAK 1035.5882
+MS$FOCUSED_ION: PRECURSOR_M/Z 1035.5884
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-016r-9302000000-0cbf6645f49b0b02ac2b
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  128.0351 C5H6NO3- 1 128.0353 -2.06
+  325.2234 C15H33O7- 5 325.2232 0.64
+  1017.5754 C52H77N10O11- 1 1017.5779 -2.43
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  128.0351 293169 427
+  325.2234 174587 254
+  1017.5754 685244.4 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC199755.txt b/Eawag/MSBNK-EAWAG-EC199755.txt
new file mode 100644
index 0000000000..eb08bd399d
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC199755.txt
@@ -0,0 +1,58 @@
+ACCESSION: MSBNK-EAWAG-EC199755
+RECORD_TITLE: [D-Leu1]MC-LR; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], K. Thomas [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: http://dx.doi.org/10.1016/j.toxicon.2013.03.016
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1997
+CH$NAME: [D-Leu1]MC-LR
+CH$NAME: [D-Leu^(1)]-microcystin-LR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,12,19-trimethyl-2-methylidene-5,8-bis(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H80N10O12
+CH$EXACT_MASS: 1036.595718
+CH$SMILES: O=C(N(C)C(C(N[C@@H](C1=O)CC(C)C)=O)=C)CC[C@H](C(O)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CCCNC(N)=N)NC([C@@H](C)[C@H](C(O)=O)NC([C@@H](N1)CC(C)C)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C52H80N10O12/c1-28(2)24-39-48(68)60-40(25-29(3)4)49(69)61-43(51(72)73)33(8)45(65)57-37(18-15-23-55-52(53)54)47(67)56-36(20-19-30(5)26-31(6)41(74-11)27-35-16-13-12-14-17-35)32(7)44(64)58-38(50(70)71)21-22-42(63)62(10)34(9)46(66)59-39/h12-14,16-17,19-20,26,28-29,31-33,36-41,43H,9,15,18,21-25,27H2,1-8,10-11H3,(H,56,67)(H,57,65)(H,58,64)(H,59,66)(H,60,68)(H,61,69)(H,70,71)(H,72,73)(H4,53,54,55)/b20-19+,30-26+/t31-,32-,33-,36-,37-,38+,39+,40-,41-,43+/m0/s1
+CH$LINK: PUBCHEM CID:636790
+CH$LINK: INCHIKEY PYRKYAINAPVHFV-OGPAHFFASA-N
+CH$LINK: CHEMSPIDER 552506
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1077
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 15.576 min
+MS$FOCUSED_ION: BASE_PEAK 1035.5882
+MS$FOCUSED_ION: PRECURSOR_M/Z 1035.5884
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-004i-0916000000-b272b1235baa6b75f363
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  110.0244 C5H4NO2- 1 110.0248 -2.95
+  128.0351 C5H6NO3- 1 128.0353 -1.7
+  195.113 C8H13N5O- 2 195.1126 2.11
+  212.1394 C8H16N6O- 2 212.1391 1.37
+  242.186 C10H22N6O- 1 242.1861 -0.21
+  307.213 CH33N5O12- 5 307.2131 -0.24
+  325.2234 C15H33O7- 6 325.2232 0.73
+PK$NUM_PEAK: 7
+PK$PEAK: m/z int. rel.int.
+  110.0244 75090.8 54
+  128.0351 1375259.2 999
+  195.113 154256.6 112
+  212.1394 69501.8 50
+  242.186 200614.2 145
+  307.213 451218.2 327
+  325.2234 683263.2 496
+//
diff --git a/Eawag/MSBNK-EAWAG-EC199756.txt b/Eawag/MSBNK-EAWAG-EC199756.txt
new file mode 100644
index 0000000000..4eab752b3d
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC199756.txt
@@ -0,0 +1,78 @@
+ACCESSION: MSBNK-EAWAG-EC199756
+RECORD_TITLE: [D-Leu1]MC-LR; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], K. Thomas [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: http://dx.doi.org/10.1016/j.toxicon.2013.03.016
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1997
+CH$NAME: [D-Leu1]MC-LR
+CH$NAME: [D-Leu^(1)]-microcystin-LR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,12,19-trimethyl-2-methylidene-5,8-bis(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H80N10O12
+CH$EXACT_MASS: 1036.595718
+CH$SMILES: O=C(N(C)C(C(N[C@@H](C1=O)CC(C)C)=O)=C)CC[C@H](C(O)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CCCNC(N)=N)NC([C@@H](C)[C@H](C(O)=O)NC([C@@H](N1)CC(C)C)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C52H80N10O12/c1-28(2)24-39-48(68)60-40(25-29(3)4)49(69)61-43(51(72)73)33(8)45(65)57-37(18-15-23-55-52(53)54)47(67)56-36(20-19-30(5)26-31(6)41(74-11)27-35-16-13-12-14-17-35)32(7)44(64)58-38(50(70)71)21-22-42(63)62(10)34(9)46(66)59-39/h12-14,16-17,19-20,26,28-29,31-33,36-41,43H,9,15,18,21-25,27H2,1-8,10-11H3,(H,56,67)(H,57,65)(H,58,64)(H,59,66)(H,60,68)(H,61,69)(H,70,71)(H,72,73)(H4,53,54,55)/b20-19+,30-26+/t31-,32-,33-,36-,37-,38+,39+,40-,41-,43+/m0/s1
+CH$LINK: PUBCHEM CID:636790
+CH$LINK: INCHIKEY PYRKYAINAPVHFV-OGPAHFFASA-N
+CH$LINK: CHEMSPIDER 552506
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1077
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 15.576 min
+MS$FOCUSED_ION: BASE_PEAK 1035.5882
+MS$FOCUSED_ION: PRECURSOR_M/Z 1035.5884
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-004i-0922000000-17663da8b0b9d1170188
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  99.0562 C4H7N2O- 1 99.0564 -1.8
+  110.0246 C5H4NO2- 1 110.0248 -1.15
+  112.0402 C5H6NO2- 1 112.0404 -1.4
+  123.0562 C6H7N2O- 1 123.0564 -1.52
+  124.0402 C6H6NO2- 1 124.0404 -1.78
+  128.0351 C5H6NO3- 1 128.0353 -1.82
+  129.1031 C6H13N2O- 1 129.1033 -2.06
+  139.0872 C7H11N2O- 1 139.0877 -3.64
+  167.0822 C8H11N2O2- 1 167.0826 -2.57
+  195.1128 C8H13N5O- 1 195.1126 1.48
+  207.1491 C10H17N5- 1 207.1489 0.99
+  222.1602 C10H18N6- 2 222.1598 1.42
+  224.1752 C10H20N6- 2 224.1755 -1.2
+  240.1704 C10H20N6O- 1 240.1704 0.11
+  242.1863 C10H22N6O- 2 242.1861 1.05
+  307.213 CH33N5O12- 5 307.2131 -0.34
+  325.2234 C15H33O7- 5 325.2232 0.64
+PK$NUM_PEAK: 17
+PK$PEAK: m/z int. rel.int.
+  99.0562 103253.1 87
+  110.0246 156267.3 131
+  112.0402 81318.3 68
+  123.0562 38312.6 32
+  124.0402 101303.8 85
+  128.0351 1184866.6 999
+  129.1031 340857.4 287
+  139.0872 133340.9 112
+  167.0822 32666.5 27
+  195.1128 260767 219
+  207.1491 189964.4 160
+  222.1602 86889.5 73
+  224.1752 136063.3 114
+  240.1704 76967.4 64
+  242.1863 270175.3 227
+  307.213 431387.6 363
+  325.2234 192285.8 162
+//
diff --git a/Eawag/MSBNK-EAWAG-EC201401.txt b/Eawag/MSBNK-EAWAG-EC201401.txt
new file mode 100644
index 0000000000..77cdd4b1e6
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC201401.txt
@@ -0,0 +1,46 @@
+ACCESSION: MSBNK-EAWAG-EC201401
+RECORD_TITLE: [D-Glu(OMe)6]MC-YR (and isomers); LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.14
+AUTHORS: R. Natumi [dtc], E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1021/acs.est.1c04194
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 2014
+CH$NAME: [D-Glu(OMe)6]MC-YR (and isomers)
+CH$NAME: [D-MeO-Glu6]MC-YR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-8-[(4-hydroxyphenyl)methyl]-22-methoxycarbonyl-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11-carboxylic acid
+CH$COMPOUND_CLASS: N/A
+CH$FORMULA: C53H74N10O13
+CH$EXACT_MASS: 1058.543682
+CH$SMILES: O=C(N(C)C(C(N[C@@H](C1=O)C)=O)=C)CC[C@H](C(OC)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CCCNC(N)=N)NC([C@@H](C)[C@H](C(O)=O)NC([C@@H](N1)CC3=CC=C(O)C=C3)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C53H74N10O13/c1-29(26-30(2)42(75-8)28-35-14-11-10-12-15-35)17-22-38-31(3)45(66)60-40(52(74)76-9)23-24-43(65)63(7)34(6)48(69)57-33(5)47(68)61-41(27-36-18-20-37(64)21-19-36)50(71)62-44(51(72)73)32(4)46(67)59-39(49(70)58-38)16-13-25-56-53(54)55/h10-12,14-15,17-22,26,30-33,38-42,44,64H,6,13,16,23-25,27-28H2,1-5,7-9H3,(H,57,69)(H,58,70)(H,59,67)(H,60,66)(H,61,68)(H,62,71)(H,72,73)(H4,54,55,56)/b22-17+,29-26+/t30-,31-,32-,33+,38-,39-,40+,41-,42-,44+/m0/s1
+CH$LINK: CHEBI 214103
+CH$LINK: PUBCHEM CID:146683831
+CH$LINK: INCHIKEY SVUNNHQOHLLNGA-OCQZQFOGSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1102
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.944 min
+MS$FOCUSED_ION: BASE_PEAK 858.4383
+MS$FOCUSED_ION: PRECURSOR_M/Z 1059.551
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0a4i-9000000000-31e0ecfad46e5ab33ea8
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  1059.5502 C53H75N10O13+ 1 1059.551 -0.76
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  1059.5502 833953.3 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC201402.txt b/Eawag/MSBNK-EAWAG-EC201402.txt
new file mode 100644
index 0000000000..d8e612686c
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC201402.txt
@@ -0,0 +1,46 @@
+ACCESSION: MSBNK-EAWAG-EC201402
+RECORD_TITLE: [D-Glu(OMe)6]MC-YR (and isomers); LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.14
+AUTHORS: R. Natumi [dtc], E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1021/acs.est.1c04194
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 2014
+CH$NAME: [D-Glu(OMe)6]MC-YR (and isomers)
+CH$NAME: [D-MeO-Glu6]MC-YR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-8-[(4-hydroxyphenyl)methyl]-22-methoxycarbonyl-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11-carboxylic acid
+CH$COMPOUND_CLASS: N/A
+CH$FORMULA: C53H74N10O13
+CH$EXACT_MASS: 1058.543682
+CH$SMILES: O=C(N(C)C(C(N[C@@H](C1=O)C)=O)=C)CC[C@H](C(OC)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CCCNC(N)=N)NC([C@@H](C)[C@H](C(O)=O)NC([C@@H](N1)CC3=CC=C(O)C=C3)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C53H74N10O13/c1-29(26-30(2)42(75-8)28-35-14-11-10-12-15-35)17-22-38-31(3)45(66)60-40(52(74)76-9)23-24-43(65)63(7)34(6)48(69)57-33(5)47(68)61-41(27-36-18-20-37(64)21-19-36)50(71)62-44(51(72)73)32(4)46(67)59-39(49(70)58-38)16-13-25-56-53(54)55/h10-12,14-15,17-22,26,30-33,38-42,44,64H,6,13,16,23-25,27-28H2,1-5,7-9H3,(H,57,69)(H,58,70)(H,59,67)(H,60,66)(H,61,68)(H,62,71)(H,72,73)(H4,54,55,56)/b22-17+,29-26+/t30-,31-,32-,33+,38-,39-,40+,41-,42-,44+/m0/s1
+CH$LINK: CHEBI 214103
+CH$LINK: PUBCHEM CID:146683831
+CH$LINK: INCHIKEY SVUNNHQOHLLNGA-OCQZQFOGSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1102
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.944 min
+MS$FOCUSED_ION: BASE_PEAK 858.4383
+MS$FOCUSED_ION: PRECURSOR_M/Z 1059.551
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0a4i-9000000000-82e110c01a196c2b5e3a
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  1059.5509 C53H75N10O13+ 1 1059.551 -0.07
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  1059.5509 596142.6 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC201403.txt b/Eawag/MSBNK-EAWAG-EC201403.txt
new file mode 100644
index 0000000000..986815f181
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC201403.txt
@@ -0,0 +1,46 @@
+ACCESSION: MSBNK-EAWAG-EC201403
+RECORD_TITLE: [D-Glu(OMe)6]MC-YR (and isomers); LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.14
+AUTHORS: R. Natumi [dtc], E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1021/acs.est.1c04194
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 2014
+CH$NAME: [D-Glu(OMe)6]MC-YR (and isomers)
+CH$NAME: [D-MeO-Glu6]MC-YR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-8-[(4-hydroxyphenyl)methyl]-22-methoxycarbonyl-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11-carboxylic acid
+CH$COMPOUND_CLASS: N/A
+CH$FORMULA: C53H74N10O13
+CH$EXACT_MASS: 1058.543682
+CH$SMILES: O=C(N(C)C(C(N[C@@H](C1=O)C)=O)=C)CC[C@H](C(OC)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CCCNC(N)=N)NC([C@@H](C)[C@H](C(O)=O)NC([C@@H](N1)CC3=CC=C(O)C=C3)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C53H74N10O13/c1-29(26-30(2)42(75-8)28-35-14-11-10-12-15-35)17-22-38-31(3)45(66)60-40(52(74)76-9)23-24-43(65)63(7)34(6)48(69)57-33(5)47(68)61-41(27-36-18-20-37(64)21-19-36)50(71)62-44(51(72)73)32(4)46(67)59-39(49(70)58-38)16-13-25-56-53(54)55/h10-12,14-15,17-22,26,30-33,38-42,44,64H,6,13,16,23-25,27-28H2,1-5,7-9H3,(H,57,69)(H,58,70)(H,59,67)(H,60,66)(H,61,68)(H,62,71)(H,72,73)(H4,54,55,56)/b22-17+,29-26+/t30-,31-,32-,33+,38-,39-,40+,41-,42-,44+/m0/s1
+CH$LINK: CHEBI 214103
+CH$LINK: PUBCHEM CID:146683831
+CH$LINK: INCHIKEY SVUNNHQOHLLNGA-OCQZQFOGSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1102
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.944 min
+MS$FOCUSED_ION: BASE_PEAK 858.4383
+MS$FOCUSED_ION: PRECURSOR_M/Z 1059.551
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0a4i-9000000000-97a9a07cae361aaa0fd6
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  1059.5497 C53H75N10O13+ 1 1059.551 -1.22
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  1059.5497 333116.6 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC201405.txt b/Eawag/MSBNK-EAWAG-EC201405.txt
new file mode 100644
index 0000000000..e7c239d110
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC201405.txt
@@ -0,0 +1,94 @@
+ACCESSION: MSBNK-EAWAG-EC201405
+RECORD_TITLE: [D-Glu(OMe)6]MC-YR (and isomers); LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.14
+AUTHORS: R. Natumi [dtc], E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1021/acs.est.1c04194
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 2014
+CH$NAME: [D-Glu(OMe)6]MC-YR (and isomers)
+CH$NAME: [D-MeO-Glu6]MC-YR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-8-[(4-hydroxyphenyl)methyl]-22-methoxycarbonyl-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11-carboxylic acid
+CH$COMPOUND_CLASS: N/A
+CH$FORMULA: C53H74N10O13
+CH$EXACT_MASS: 1058.543682
+CH$SMILES: O=C(N(C)C(C(N[C@@H](C1=O)C)=O)=C)CC[C@H](C(OC)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CCCNC(N)=N)NC([C@@H](C)[C@H](C(O)=O)NC([C@@H](N1)CC3=CC=C(O)C=C3)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C53H74N10O13/c1-29(26-30(2)42(75-8)28-35-14-11-10-12-15-35)17-22-38-31(3)45(66)60-40(52(74)76-9)23-24-43(65)63(7)34(6)48(69)57-33(5)47(68)61-41(27-36-18-20-37(64)21-19-36)50(71)62-44(51(72)73)32(4)46(67)59-39(49(70)58-38)16-13-25-56-53(54)55/h10-12,14-15,17-22,26,30-33,38-42,44,64H,6,13,16,23-25,27-28H2,1-5,7-9H3,(H,57,69)(H,58,70)(H,59,67)(H,60,66)(H,61,68)(H,62,71)(H,72,73)(H4,54,55,56)/b22-17+,29-26+/t30-,31-,32-,33+,38-,39-,40+,41-,42-,44+/m0/s1
+CH$LINK: CHEBI 214103
+CH$LINK: PUBCHEM CID:146683831
+CH$LINK: INCHIKEY SVUNNHQOHLLNGA-OCQZQFOGSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1102
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.944 min
+MS$FOCUSED_ION: BASE_PEAK 858.4383
+MS$FOCUSED_ION: PRECURSOR_M/Z 1059.551
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-06ri-1920000000-cda4737c282ab8b55855
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  56.0495 C3H6N+ 1 56.0495 1.25
+  70.065 C4H8N+ 1 70.0651 -1.51
+  84.0443 C4H6NO+ 1 84.0444 -1.21
+  105.0698 C8H9+ 1 105.0699 -1.03
+  107.0853 C8H11+ 1 107.0855 -1.9
+  112.0868 C5H10N3+ 1 112.0869 -1.33
+  115.0862 C5H11N2O+ 1 115.0866 -3.01
+  127.0864 C6H11N2O+ 1 127.0866 -1.84
+  135.0802 C9H11O+ 1 135.0804 -1.94
+  135.1163 C10H15+ 1 135.1168 -3.7
+  138.0552 C7H8NO2+ 1 138.055 1.8
+  140.0822 C6H10N3O+ 1 140.0818 2.62
+  150.091 C9H12NO+ 1 150.0913 -2.38
+  155.0809 C7H11N2O2+ 1 155.0815 -3.65
+  156.1244 C6H14N5+ 1 156.1244 0.43
+  158.0928 C6H12N3O2+ 1 158.0924 2.45
+  163.1114 C11H15O+ 1 163.1117 -2.38
+  174.1346 C6H16N5O+ 1 174.1349 -2.17
+  200.1134 C6H18NO6+ 3 200.1129 2.9
+  201.0986 C7H13N4O3+ 2 201.0982 1.94
+  213.0864 C9H13N2O4+ 2 213.087 -2.81
+  226.1181 C10H16N3O3+ 2 226.1186 -2.19
+  246.1489 H26N2O12+ 3 246.148 3.39
+  269.1229 C9H15N7O3+ 4 269.1231 -0.63
+  285.1657 C11H21N6O3+ 4 285.167 -4.59
+PK$NUM_PEAK: 25
+PK$PEAK: m/z int. rel.int.
+  56.0495 28653.9 59
+  70.065 161485.1 335
+  84.0443 46208.2 96
+  105.0698 37340.2 77
+  107.0853 185492.9 385
+  112.0868 110966 230
+  115.0862 50793.2 105
+  127.0864 145187.8 301
+  135.0802 480287.9 999
+  135.1163 190520 396
+  138.0552 18854.2 39
+  140.0822 28596.2 59
+  150.091 220248.3 458
+  155.0809 187357.2 389
+  156.1244 31074.1 64
+  158.0928 21966.5 45
+  163.1114 143203.2 297
+  174.1346 104887.2 218
+  200.1134 101538.5 211
+  201.0986 27918.6 58
+  213.0864 227820.9 473
+  226.1181 33965.9 70
+  246.1489 31202.6 64
+  269.1229 56332.8 117
+  285.1657 56797.6 118
+//
diff --git a/Eawag/MSBNK-EAWAG-EC201406.txt b/Eawag/MSBNK-EAWAG-EC201406.txt
new file mode 100644
index 0000000000..06768296b5
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC201406.txt
@@ -0,0 +1,104 @@
+ACCESSION: MSBNK-EAWAG-EC201406
+RECORD_TITLE: [D-Glu(OMe)6]MC-YR (and isomers); LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.14
+AUTHORS: R. Natumi [dtc], E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1021/acs.est.1c04194
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 2014
+CH$NAME: [D-Glu(OMe)6]MC-YR (and isomers)
+CH$NAME: [D-MeO-Glu6]MC-YR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-8-[(4-hydroxyphenyl)methyl]-22-methoxycarbonyl-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11-carboxylic acid
+CH$COMPOUND_CLASS: N/A
+CH$FORMULA: C53H74N10O13
+CH$EXACT_MASS: 1058.543682
+CH$SMILES: O=C(N(C)C(C(N[C@@H](C1=O)C)=O)=C)CC[C@H](C(OC)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CCCNC(N)=N)NC([C@@H](C)[C@H](C(O)=O)NC([C@@H](N1)CC3=CC=C(O)C=C3)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C53H74N10O13/c1-29(26-30(2)42(75-8)28-35-14-11-10-12-15-35)17-22-38-31(3)45(66)60-40(52(74)76-9)23-24-43(65)63(7)34(6)48(69)57-33(5)47(68)61-41(27-36-18-20-37(64)21-19-36)50(71)62-44(51(72)73)32(4)46(67)59-39(49(70)58-38)16-13-25-56-53(54)55/h10-12,14-15,17-22,26,30-33,38-42,44,64H,6,13,16,23-25,27-28H2,1-5,7-9H3,(H,57,69)(H,58,70)(H,59,67)(H,60,66)(H,61,68)(H,62,71)(H,72,73)(H4,54,55,56)/b22-17+,29-26+/t30-,31-,32-,33+,38-,39-,40+,41-,42-,44+/m0/s1
+CH$LINK: CHEBI 214103
+CH$LINK: PUBCHEM CID:146683831
+CH$LINK: INCHIKEY SVUNNHQOHLLNGA-OCQZQFOGSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1102
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.944 min
+MS$FOCUSED_ION: BASE_PEAK 858.4383
+MS$FOCUSED_ION: PRECURSOR_M/Z 1059.551
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-052r-1910000000-84ee9006f4263ef668f4
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  56.0494 C3H6N+ 1 56.0495 -1.41
+  70.0651 C4H8N+ 1 70.0651 -0.97
+  84.0443 C4H6NO+ 1 84.0444 -0.66
+  93.07 C7H9+ 1 93.0699 0.95
+  103.0541 C8H7+ 1 103.0542 -0.78
+  105.0697 C8H9+ 1 105.0699 -1.9
+  107.0492 C7H7O+ 1 107.0491 0.17
+  107.0854 C8H11+ 1 107.0855 -1.26
+  112.0867 C5H10N3+ 1 112.0869 -1.94
+  115.0865 C5H11N2O+ 1 115.0866 -0.89
+  117.0697 C9H9+ 1 117.0699 -1.48
+  127.0864 C6H11N2O+ 1 127.0866 -1.24
+  130.0496 C5H8NO3+ 1 130.0499 -2.24
+  131.0856 C10H11+ 1 131.0855 0.44
+  133.065 C9H9O+ 1 133.0648 1.73
+  135.0802 C9H11O+ 1 135.0804 -1.71
+  135.1164 C10H15+ 1 135.1168 -3.47
+  140.0816 C6H10N3O+ 1 140.0818 -1.73
+  141.0654 C6H9N2O2+ 1 141.0659 -2.87
+  150.091 C9H12NO+ 1 150.0913 -2.18
+  155.0811 C7H11N2O2+ 1 155.0815 -2.86
+  157.1083 C6H13N4O+ 1 157.1084 -0.4
+  163.1116 C11H15O+ 1 163.1117 -0.79
+  167.0814 C8H11N2O2+ 1 167.0815 -0.86
+  174.1345 C6H16N5O+ 1 174.1349 -2.43
+  183.0873 C7H11N4O2+ 1 183.0877 -1.81
+  200.1138 C6H18NO6+ 3 200.1129 4.58
+  201.0984 C7H13N4O3+ 1 201.0982 1.11
+  213.0865 C9H13N2O4+ 2 213.087 -2.31
+  226.1184 C10H16N3O3+ 1 226.1186 -0.91
+PK$NUM_PEAK: 30
+PK$PEAK: m/z int. rel.int.
+  56.0494 58492.3 81
+  70.0651 341343.9 475
+  84.0443 111948.6 155
+  93.07 78188.8 108
+  103.0541 107496.4 149
+  105.0697 130482 181
+  107.0492 151584.8 211
+  107.0854 355536.7 495
+  112.0867 155386.6 216
+  115.0865 83353.6 116
+  117.0697 76403.5 106
+  127.0864 337867.3 470
+  130.0496 21774.3 30
+  131.0856 18148 25
+  133.065 18614.4 25
+  135.0802 717536 999
+  135.1164 247324.8 344
+  140.0816 32282 44
+  141.0654 45954.6 63
+  150.091 181446.6 252
+  155.0811 141971.3 197
+  157.1083 67885.1 94
+  163.1116 92096.4 128
+  167.0814 45551.9 63
+  174.1345 46839.4 65
+  183.0873 26221.8 36
+  200.1138 99924.8 139
+  201.0984 26465.3 36
+  213.0865 207507.7 288
+  226.1184 35201.7 49
+//
diff --git a/Eawag/MSBNK-EAWAG-EC201407.txt b/Eawag/MSBNK-EAWAG-EC201407.txt
new file mode 100644
index 0000000000..6fa87233dc
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC201407.txt
@@ -0,0 +1,104 @@
+ACCESSION: MSBNK-EAWAG-EC201407
+RECORD_TITLE: [D-Glu(OMe)6]MC-YR (and isomers); LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.14
+AUTHORS: R. Natumi [dtc], E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1021/acs.est.1c04194
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 2014
+CH$NAME: [D-Glu(OMe)6]MC-YR (and isomers)
+CH$NAME: [D-MeO-Glu6]MC-YR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-8-[(4-hydroxyphenyl)methyl]-22-methoxycarbonyl-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11-carboxylic acid
+CH$COMPOUND_CLASS: N/A
+CH$FORMULA: C53H74N10O13
+CH$EXACT_MASS: 1058.543682
+CH$SMILES: O=C(N(C)C(C(N[C@@H](C1=O)C)=O)=C)CC[C@H](C(OC)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CCCNC(N)=N)NC([C@@H](C)[C@H](C(O)=O)NC([C@@H](N1)CC3=CC=C(O)C=C3)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C53H74N10O13/c1-29(26-30(2)42(75-8)28-35-14-11-10-12-15-35)17-22-38-31(3)45(66)60-40(52(74)76-9)23-24-43(65)63(7)34(6)48(69)57-33(5)47(68)61-41(27-36-18-20-37(64)21-19-36)50(71)62-44(51(72)73)32(4)46(67)59-39(49(70)58-38)16-13-25-56-53(54)55/h10-12,14-15,17-22,26,30-33,38-42,44,64H,6,13,16,23-25,27-28H2,1-5,7-9H3,(H,57,69)(H,58,70)(H,59,67)(H,60,66)(H,61,68)(H,62,71)(H,72,73)(H4,54,55,56)/b22-17+,29-26+/t30-,31-,32-,33+,38-,39-,40+,41-,42-,44+/m0/s1
+CH$LINK: CHEBI 214103
+CH$LINK: PUBCHEM CID:146683831
+CH$LINK: INCHIKEY SVUNNHQOHLLNGA-OCQZQFOGSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1102
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.944 min
+MS$FOCUSED_ION: BASE_PEAK 858.4383
+MS$FOCUSED_ION: PRECURSOR_M/Z 1059.551
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0abi-3900000000-84ebd5afc50c648e0396
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  56.0494 C3H6N+ 1 56.0495 -1.81
+  70.065 C4H8N+ 1 70.0651 -1.51
+  79.0544 C6H7+ 1 79.0542 1.84
+  84.0443 C4H6NO+ 1 84.0444 -1.12
+  91.0541 C7H7+ 1 91.0542 -1.62
+  93.0698 C7H9+ 1 93.0699 -1.1
+  97.0759 C5H9N2+ 1 97.076 -0.86
+  98.0599 C5H8NO+ 1 98.06 -1.47
+  103.0541 C8H7+ 1 103.0542 -1.07
+  105.0698 C8H9+ 1 105.0699 -1.17
+  107.0491 C7H7O+ 1 107.0491 -0.54
+  107.0854 C8H11+ 1 107.0855 -1.19
+  112.0867 C5H10N3+ 1 112.0869 -1.74
+  113.0709 C5H9N2O+ 1 113.0709 -0.45
+  115.0543 C9H7+ 1 115.0542 1.02
+  115.0865 C5H11N2O+ 1 115.0866 -1.02
+  117.0696 C9H9+ 1 117.0699 -2.58
+  127.0864 C6H11N2O+ 1 127.0866 -1.54
+  135.0802 C9H11O+ 1 135.0804 -1.94
+  135.1164 C10H15+ 1 135.1168 -3.13
+  138.0551 C7H8NO2+ 1 138.055 0.92
+  140.0823 C6H10N3O+ 1 140.0818 3.17
+  141.0655 C6H9N2O2+ 1 141.0659 -2.76
+  150.0911 C9H12NO+ 1 150.0913 -1.77
+  155.0811 C7H11N2O2+ 1 155.0815 -2.67
+  157.1083 C6H13N4O+ 1 157.1084 -0.5
+  158.0924 C6H12N3O2+ 1 158.0924 0.23
+  163.1114 C11H15O+ 1 163.1117 -2.01
+  167.0814 C8H11N2O2+ 1 167.0815 -0.86
+  213.0864 C9H13N2O4+ 2 213.087 -2.81
+PK$NUM_PEAK: 30
+PK$PEAK: m/z int. rel.int.
+  56.0494 115161.1 216
+  70.065 530678.6 999
+  79.0544 32084.7 60
+  84.0443 128856.3 242
+  91.0541 103676.6 195
+  93.0698 100660.5 189
+  97.0759 36034.8 67
+  98.0599 37728.4 71
+  103.0541 273349.2 514
+  105.0698 259540.8 488
+  107.0491 264507.2 497
+  107.0854 436923.8 822
+  112.0867 129809.4 244
+  113.0709 24622.4 46
+  115.0543 35695.4 67
+  115.0865 96773.9 182
+  117.0696 116340.2 219
+  127.0864 386853.8 728
+  135.0802 524936.1 988
+  135.1164 180377.1 339
+  138.0551 35580.9 66
+  140.0823 29308.7 55
+  141.0655 70944.5 133
+  150.0911 68743.3 129
+  155.0811 79847.4 150
+  157.1083 48779.3 91
+  158.0924 18924.2 35
+  163.1114 37054.5 69
+  167.0814 76559 144
+  213.0864 104184.7 196
+//
diff --git a/Eawag/MSBNK-EAWAG-EC201408.txt b/Eawag/MSBNK-EAWAG-EC201408.txt
new file mode 100644
index 0000000000..52373233fb
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC201408.txt
@@ -0,0 +1,92 @@
+ACCESSION: MSBNK-EAWAG-EC201408
+RECORD_TITLE: [D-Glu(OMe)6]MC-YR (and isomers); LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.14
+AUTHORS: R. Natumi [dtc], E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1021/acs.est.1c04194
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 2014
+CH$NAME: [D-Glu(OMe)6]MC-YR (and isomers)
+CH$NAME: [D-MeO-Glu6]MC-YR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-8-[(4-hydroxyphenyl)methyl]-22-methoxycarbonyl-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11-carboxylic acid
+CH$COMPOUND_CLASS: N/A
+CH$FORMULA: C53H74N10O13
+CH$EXACT_MASS: 1058.543682
+CH$SMILES: O=C(N(C)C(C(N[C@@H](C1=O)C)=O)=C)CC[C@H](C(OC)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CCCNC(N)=N)NC([C@@H](C)[C@H](C(O)=O)NC([C@@H](N1)CC3=CC=C(O)C=C3)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C53H74N10O13/c1-29(26-30(2)42(75-8)28-35-14-11-10-12-15-35)17-22-38-31(3)45(66)60-40(52(74)76-9)23-24-43(65)63(7)34(6)48(69)57-33(5)47(68)61-41(27-36-18-20-37(64)21-19-36)50(71)62-44(51(72)73)32(4)46(67)59-39(49(70)58-38)16-13-25-56-53(54)55/h10-12,14-15,17-22,26,30-33,38-42,44,64H,6,13,16,23-25,27-28H2,1-5,7-9H3,(H,57,69)(H,58,70)(H,59,67)(H,60,66)(H,61,68)(H,62,71)(H,72,73)(H4,54,55,56)/b22-17+,29-26+/t30-,31-,32-,33+,38-,39-,40+,41-,42-,44+/m0/s1
+CH$LINK: CHEBI 214103
+CH$LINK: PUBCHEM CID:146683831
+CH$LINK: INCHIKEY SVUNNHQOHLLNGA-OCQZQFOGSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1102
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.944 min
+MS$FOCUSED_ION: BASE_PEAK 858.4383
+MS$FOCUSED_ION: PRECURSOR_M/Z 1059.551
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0ab9-5900000000-65180fbaf4b1b4dd6412
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  56.0493 C3H6N+ 1 56.0495 -2.29
+  60.0557 CH6N3+ 1 60.0556 1.06
+  70.065 C4H8N+ 1 70.0651 -1.41
+  79.0542 C6H7+ 1 79.0542 -0.86
+  82.0653 C5H8N+ 1 82.0651 2.69
+  84.0442 C4H6NO+ 1 84.0444 -1.75
+  91.0541 C7H7+ 1 91.0542 -1.37
+  93.0697 C7H9+ 1 93.0699 -1.67
+  95.049 C6H7O+ 1 95.0491 -1.32
+  97.0761 C5H9N2+ 1 97.076 0.39
+  98.06 C5H8NO+ 1 98.06 -0.14
+  99.0918 C5H11N2+ 1 99.0917 1.21
+  103.054 C8H7+ 1 103.0542 -1.89
+  105.0697 C8H9+ 1 105.0699 -1.61
+  107.049 C7H7O+ 1 107.0491 -1.75
+  107.0853 C8H11+ 1 107.0855 -2.19
+  112.0869 C5H10N3+ 1 112.0869 -0.51
+  115.0538 C9H7+ 1 115.0542 -3.55
+  117.0696 C9H9+ 1 117.0699 -2.06
+  127.0863 C6H11N2O+ 1 127.0866 -1.9
+  135.0802 C9H11O+ 1 135.0804 -1.94
+  135.1167 C10H15+ 1 135.1168 -1.21
+  149.0713 C8H9N2O+ 1 149.0709 2.52
+  213.0867 C9H13N2O4+ 2 213.087 -1.52
+PK$NUM_PEAK: 24
+PK$PEAK: m/z int. rel.int.
+  56.0493 153227 290
+  60.0557 18926.9 35
+  70.065 527608.9 999
+  79.0542 49348.3 93
+  82.0653 37746.8 71
+  84.0442 133285.9 252
+  91.0541 129641.3 245
+  93.0697 99209.6 187
+  95.049 26467.4 50
+  97.0761 38586.4 73
+  98.06 44136.5 83
+  99.0918 36041.8 68
+  103.054 453466.7 858
+  105.0697 309085.2 585
+  107.049 274551.9 519
+  107.0853 317613.2 601
+  112.0869 102091.7 193
+  115.0538 38235.6 72
+  117.0696 125349.5 237
+  127.0863 311710.6 590
+  135.0802 253790.6 480
+  135.1167 68843.4 130
+  149.0713 10454.5 19
+  213.0867 35208.4 66
+//
diff --git a/Eawag/MSBNK-EAWAG-EC201409.txt b/Eawag/MSBNK-EAWAG-EC201409.txt
new file mode 100644
index 0000000000..27864da210
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC201409.txt
@@ -0,0 +1,86 @@
+ACCESSION: MSBNK-EAWAG-EC201409
+RECORD_TITLE: [D-Glu(OMe)6]MC-YR (and isomers); LC-ESI-QFT; MS2; CE: 80%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.14
+AUTHORS: R. Natumi [dtc], E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1021/acs.est.1c04194
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 2014
+CH$NAME: [D-Glu(OMe)6]MC-YR (and isomers)
+CH$NAME: [D-MeO-Glu6]MC-YR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-8-[(4-hydroxyphenyl)methyl]-22-methoxycarbonyl-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11-carboxylic acid
+CH$COMPOUND_CLASS: N/A
+CH$FORMULA: C53H74N10O13
+CH$EXACT_MASS: 1058.543682
+CH$SMILES: O=C(N(C)C(C(N[C@@H](C1=O)C)=O)=C)CC[C@H](C(OC)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CCCNC(N)=N)NC([C@@H](C)[C@H](C(O)=O)NC([C@@H](N1)CC3=CC=C(O)C=C3)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C53H74N10O13/c1-29(26-30(2)42(75-8)28-35-14-11-10-12-15-35)17-22-38-31(3)45(66)60-40(52(74)76-9)23-24-43(65)63(7)34(6)48(69)57-33(5)47(68)61-41(27-36-18-20-37(64)21-19-36)50(71)62-44(51(72)73)32(4)46(67)59-39(49(70)58-38)16-13-25-56-53(54)55/h10-12,14-15,17-22,26,30-33,38-42,44,64H,6,13,16,23-25,27-28H2,1-5,7-9H3,(H,57,69)(H,58,70)(H,59,67)(H,60,66)(H,61,68)(H,62,71)(H,72,73)(H4,54,55,56)/b22-17+,29-26+/t30-,31-,32-,33+,38-,39-,40+,41-,42-,44+/m0/s1
+CH$LINK: CHEBI 214103
+CH$LINK: PUBCHEM CID:146683831
+CH$LINK: INCHIKEY SVUNNHQOHLLNGA-OCQZQFOGSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1102
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.944 min
+MS$FOCUSED_ION: BASE_PEAK 858.4383
+MS$FOCUSED_ION: PRECURSOR_M/Z 1059.551
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0pi0-7900000000-8afd2e88bda37a9aaef7
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  56.0494 C3H6N+ 1 56.0495 -1.13
+  60.0558 CH6N3+ 1 60.0556 3.03
+  70.0651 C4H8N+ 1 70.0651 -1.08
+  77.0387 C6H5+ 1 77.0386 1.92
+  79.0541 C6H7+ 1 79.0542 -1.53
+  82.0652 C5H8N+ 1 82.0651 1.39
+  84.0442 C4H6NO+ 1 84.0444 -1.84
+  91.0541 C7H7+ 1 91.0542 -1.12
+  93.0696 C7H9+ 1 93.0699 -2.74
+  95.049 C6H7O+ 1 95.0491 -1.24
+  97.0762 C5H9N2+ 1 97.076 1.97
+  98.06 C5H8NO+ 1 98.06 -0.84
+  99.0917 C5H11N2+ 1 99.0917 -0.18
+  103.0541 C8H7+ 1 103.0542 -1.15
+  105.0698 C8H9+ 1 105.0699 -1.03
+  107.049 C7H7O+ 1 107.0491 -1.39
+  107.0854 C8H11+ 1 107.0855 -1.19
+  115.054 C9H7+ 1 115.0542 -2.03
+  117.0697 C9H9+ 1 117.0699 -1.15
+  127.0865 C6H11N2O+ 1 127.0866 -0.94
+  135.0802 C9H11O+ 1 135.0804 -1.71
+PK$NUM_PEAK: 21
+PK$PEAK: m/z int. rel.int.
+  56.0494 228068.2 352
+  60.0558 22276.8 34
+  70.0651 550496.1 851
+  77.0387 29141 45
+  79.0541 82644.3 127
+  82.0652 36416.8 56
+  84.0442 139715 216
+  91.0541 200626.3 310
+  93.0696 88688.1 137
+  95.049 70341.8 108
+  97.0762 32476.1 50
+  98.06 64157.1 99
+  99.0917 38001.6 58
+  103.0541 645827.3 999
+  105.0698 315183.2 487
+  107.049 300288.1 464
+  107.0854 234081.1 362
+  115.054 69519.7 107
+  117.0697 95842.7 148
+  127.0865 188244.2 291
+  135.0802 108912 168
+//
diff --git a/Eawag/MSBNK-EAWAG-EC201451.txt b/Eawag/MSBNK-EAWAG-EC201451.txt
new file mode 100644
index 0000000000..bd78a58bbb
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC201451.txt
@@ -0,0 +1,46 @@
+ACCESSION: MSBNK-EAWAG-EC201451
+RECORD_TITLE: [D-Glu(OMe)6]MC-YR (and isomers); LC-ESI-QFT; MS2; CE: 15%; R=15000; [M-H]-; First mass: 40
+DATE: 2025.02.14
+AUTHORS: R. Natumi [dtc], E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1021/acs.est.1c04194
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 2014
+CH$NAME: [D-Glu(OMe)6]MC-YR (and isomers)
+CH$NAME: [D-MeO-Glu6]MC-YR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-8-[(4-hydroxyphenyl)methyl]-22-methoxycarbonyl-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11-carboxylic acid
+CH$COMPOUND_CLASS: N/A
+CH$FORMULA: C53H74N10O13
+CH$EXACT_MASS: 1058.543682
+CH$SMILES: O=C(N(C)C(C(N[C@@H](C1=O)C)=O)=C)CC[C@H](C(OC)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CCCNC(N)=N)NC([C@@H](C)[C@H](C(O)=O)NC([C@@H](N1)CC3=CC=C(O)C=C3)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C53H74N10O13/c1-29(26-30(2)42(75-8)28-35-14-11-10-12-15-35)17-22-38-31(3)45(66)60-40(52(74)76-9)23-24-43(65)63(7)34(6)48(69)57-33(5)47(68)61-41(27-36-18-20-37(64)21-19-36)50(71)62-44(51(72)73)32(4)46(67)59-39(49(70)58-38)16-13-25-56-53(54)55/h10-12,14-15,17-22,26,30-33,38-42,44,64H,6,13,16,23-25,27-28H2,1-5,7-9H3,(H,57,69)(H,58,70)(H,59,67)(H,60,66)(H,61,68)(H,62,71)(H,72,73)(H4,54,55,56)/b22-17+,29-26+/t30-,31-,32-,33+,38-,39-,40+,41-,42-,44+/m0/s1
+CH$LINK: CHEBI 214103
+CH$LINK: PUBCHEM CID:146683831
+CH$LINK: INCHIKEY SVUNNHQOHLLNGA-OCQZQFOGSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1100
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.957 min
+MS$FOCUSED_ION: BASE_PEAK 856.4255
+MS$FOCUSED_ION: PRECURSOR_M/Z 1057.5364
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0a4i-9000000000-df31c7cde6c97e55d2c0
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  1057.5366 C53H73N10O13- 1 1057.5364 0.15
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  1057.5366 562649.4 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC201452.txt b/Eawag/MSBNK-EAWAG-EC201452.txt
new file mode 100644
index 0000000000..bbf9cea0fc
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC201452.txt
@@ -0,0 +1,46 @@
+ACCESSION: MSBNK-EAWAG-EC201452
+RECORD_TITLE: [D-Glu(OMe)6]MC-YR (and isomers); LC-ESI-QFT; MS2; CE: 20%; R=15000; [M-H]-; First mass: 40
+DATE: 2025.02.14
+AUTHORS: R. Natumi [dtc], E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1021/acs.est.1c04194
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 2014
+CH$NAME: [D-Glu(OMe)6]MC-YR (and isomers)
+CH$NAME: [D-MeO-Glu6]MC-YR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-8-[(4-hydroxyphenyl)methyl]-22-methoxycarbonyl-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11-carboxylic acid
+CH$COMPOUND_CLASS: N/A
+CH$FORMULA: C53H74N10O13
+CH$EXACT_MASS: 1058.543682
+CH$SMILES: O=C(N(C)C(C(N[C@@H](C1=O)C)=O)=C)CC[C@H](C(OC)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CCCNC(N)=N)NC([C@@H](C)[C@H](C(O)=O)NC([C@@H](N1)CC3=CC=C(O)C=C3)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C53H74N10O13/c1-29(26-30(2)42(75-8)28-35-14-11-10-12-15-35)17-22-38-31(3)45(66)60-40(52(74)76-9)23-24-43(65)63(7)34(6)48(69)57-33(5)47(68)61-41(27-36-18-20-37(64)21-19-36)50(71)62-44(51(72)73)32(4)46(67)59-39(49(70)58-38)16-13-25-56-53(54)55/h10-12,14-15,17-22,26,30-33,38-42,44,64H,6,13,16,23-25,27-28H2,1-5,7-9H3,(H,57,69)(H,58,70)(H,59,67)(H,60,66)(H,61,68)(H,62,71)(H,72,73)(H4,54,55,56)/b22-17+,29-26+/t30-,31-,32-,33+,38-,39-,40+,41-,42-,44+/m0/s1
+CH$LINK: CHEBI 214103
+CH$LINK: PUBCHEM CID:146683831
+CH$LINK: INCHIKEY SVUNNHQOHLLNGA-OCQZQFOGSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1100
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.957 min
+MS$FOCUSED_ION: BASE_PEAK 856.4255
+MS$FOCUSED_ION: PRECURSOR_M/Z 1057.5364
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0a4i-9000000000-556b1a3c9d54dbd7b38a
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  1057.5374 C53H73N10O13- 1 1057.5364 0.96
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  1057.5374 561278.4 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC201453.txt b/Eawag/MSBNK-EAWAG-EC201453.txt
new file mode 100644
index 0000000000..091d85e039
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC201453.txt
@@ -0,0 +1,48 @@
+ACCESSION: MSBNK-EAWAG-EC201453
+RECORD_TITLE: [D-Glu(OMe)6]MC-YR (and isomers); LC-ESI-QFT; MS2; CE: 25%; R=15000; [M-H]-; First mass: 40
+DATE: 2025.02.14
+AUTHORS: R. Natumi [dtc], E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1021/acs.est.1c04194
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 2014
+CH$NAME: [D-Glu(OMe)6]MC-YR (and isomers)
+CH$NAME: [D-MeO-Glu6]MC-YR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-8-[(4-hydroxyphenyl)methyl]-22-methoxycarbonyl-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11-carboxylic acid
+CH$COMPOUND_CLASS: N/A
+CH$FORMULA: C53H74N10O13
+CH$EXACT_MASS: 1058.543682
+CH$SMILES: O=C(N(C)C(C(N[C@@H](C1=O)C)=O)=C)CC[C@H](C(OC)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CCCNC(N)=N)NC([C@@H](C)[C@H](C(O)=O)NC([C@@H](N1)CC3=CC=C(O)C=C3)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C53H74N10O13/c1-29(26-30(2)42(75-8)28-35-14-11-10-12-15-35)17-22-38-31(3)45(66)60-40(52(74)76-9)23-24-43(65)63(7)34(6)48(69)57-33(5)47(68)61-41(27-36-18-20-37(64)21-19-36)50(71)62-44(51(72)73)32(4)46(67)59-39(49(70)58-38)16-13-25-56-53(54)55/h10-12,14-15,17-22,26,30-33,38-42,44,64H,6,13,16,23-25,27-28H2,1-5,7-9H3,(H,57,69)(H,58,70)(H,59,67)(H,60,66)(H,61,68)(H,62,71)(H,72,73)(H4,54,55,56)/b22-17+,29-26+/t30-,31-,32-,33+,38-,39-,40+,41-,42-,44+/m0/s1
+CH$LINK: CHEBI 214103
+CH$LINK: PUBCHEM CID:146683831
+CH$LINK: INCHIKEY SVUNNHQOHLLNGA-OCQZQFOGSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1100
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.957 min
+MS$FOCUSED_ION: BASE_PEAK 856.4255
+MS$FOCUSED_ION: PRECURSOR_M/Z 1057.5364
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0a4r-9000000000-422cc4614079a161e31b
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  1039.5271 C53H71N10O12- 1 1039.5258 1.25
+  1057.5371 C53H73N10O13- 1 1057.5364 0.62
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  1039.5271 172705 877
+  1057.5371 196632.2 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC201454.txt b/Eawag/MSBNK-EAWAG-EC201454.txt
new file mode 100644
index 0000000000..229cb2d65c
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC201454.txt
@@ -0,0 +1,48 @@
+ACCESSION: MSBNK-EAWAG-EC201454
+RECORD_TITLE: [D-Glu(OMe)6]MC-YR (and isomers); LC-ESI-QFT; MS2; CE: 30%; R=15000; [M-H]-; First mass: 40
+DATE: 2025.02.14
+AUTHORS: R. Natumi [dtc], E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1021/acs.est.1c04194
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 2014
+CH$NAME: [D-Glu(OMe)6]MC-YR (and isomers)
+CH$NAME: [D-MeO-Glu6]MC-YR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-8-[(4-hydroxyphenyl)methyl]-22-methoxycarbonyl-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11-carboxylic acid
+CH$COMPOUND_CLASS: N/A
+CH$FORMULA: C53H74N10O13
+CH$EXACT_MASS: 1058.543682
+CH$SMILES: O=C(N(C)C(C(N[C@@H](C1=O)C)=O)=C)CC[C@H](C(OC)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CCCNC(N)=N)NC([C@@H](C)[C@H](C(O)=O)NC([C@@H](N1)CC3=CC=C(O)C=C3)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C53H74N10O13/c1-29(26-30(2)42(75-8)28-35-14-11-10-12-15-35)17-22-38-31(3)45(66)60-40(52(74)76-9)23-24-43(65)63(7)34(6)48(69)57-33(5)47(68)61-41(27-36-18-20-37(64)21-19-36)50(71)62-44(51(72)73)32(4)46(67)59-39(49(70)58-38)16-13-25-56-53(54)55/h10-12,14-15,17-22,26,30-33,38-42,44,64H,6,13,16,23-25,27-28H2,1-5,7-9H3,(H,57,69)(H,58,70)(H,59,67)(H,60,66)(H,61,68)(H,62,71)(H,72,73)(H4,54,55,56)/b22-17+,29-26+/t30-,31-,32-,33+,38-,39-,40+,41-,42-,44+/m0/s1
+CH$LINK: CHEBI 214103
+CH$LINK: PUBCHEM CID:146683831
+CH$LINK: INCHIKEY SVUNNHQOHLLNGA-OCQZQFOGSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1100
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.957 min
+MS$FOCUSED_ION: BASE_PEAK 856.4255
+MS$FOCUSED_ION: PRECURSOR_M/Z 1057.5364
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-002r-9500000000-680993524e95349f6072
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  128.0352 C5H6NO3- 1 128.0353 -0.84
+  1039.526 C53H71N10O12- 1 1039.5258 0.19
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  128.0352 79842.2 636
+  1039.526 125222.6 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC201455.txt b/Eawag/MSBNK-EAWAG-EC201455.txt
new file mode 100644
index 0000000000..06751e5e98
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC201455.txt
@@ -0,0 +1,62 @@
+ACCESSION: MSBNK-EAWAG-EC201455
+RECORD_TITLE: [D-Glu(OMe)6]MC-YR (and isomers); LC-ESI-QFT; MS2; CE: 40%; R=15000; [M-H]-; First mass: 40
+DATE: 2025.02.14
+AUTHORS: R. Natumi [dtc], E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1021/acs.est.1c04194
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 2014
+CH$NAME: [D-Glu(OMe)6]MC-YR (and isomers)
+CH$NAME: [D-MeO-Glu6]MC-YR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-8-[(4-hydroxyphenyl)methyl]-22-methoxycarbonyl-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11-carboxylic acid
+CH$COMPOUND_CLASS: N/A
+CH$FORMULA: C53H74N10O13
+CH$EXACT_MASS: 1058.543682
+CH$SMILES: O=C(N(C)C(C(N[C@@H](C1=O)C)=O)=C)CC[C@H](C(OC)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CCCNC(N)=N)NC([C@@H](C)[C@H](C(O)=O)NC([C@@H](N1)CC3=CC=C(O)C=C3)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C53H74N10O13/c1-29(26-30(2)42(75-8)28-35-14-11-10-12-15-35)17-22-38-31(3)45(66)60-40(52(74)76-9)23-24-43(65)63(7)34(6)48(69)57-33(5)47(68)61-41(27-36-18-20-37(64)21-19-36)50(71)62-44(51(72)73)32(4)46(67)59-39(49(70)58-38)16-13-25-56-53(54)55/h10-12,14-15,17-22,26,30-33,38-42,44,64H,6,13,16,23-25,27-28H2,1-5,7-9H3,(H,57,69)(H,58,70)(H,59,67)(H,60,66)(H,61,68)(H,62,71)(H,72,73)(H4,54,55,56)/b22-17+,29-26+/t30-,31-,32-,33+,38-,39-,40+,41-,42-,44+/m0/s1
+CH$LINK: CHEBI 214103
+CH$LINK: PUBCHEM CID:146683831
+CH$LINK: INCHIKEY SVUNNHQOHLLNGA-OCQZQFOGSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1100
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.957 min
+MS$FOCUSED_ION: BASE_PEAK 856.4255
+MS$FOCUSED_ION: PRECURSOR_M/Z 1057.5364
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-004i-0904000000-f31a7da3018aa6e91f9b
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  110.0248 C5H4NO2- 1 110.0248 0.22
+  123.0565 C6H7N2O- 1 123.0564 0.94
+  124.0406 C6H6NO2- 1 124.0404 1.83
+  128.0352 C5H6NO3- 1 128.0353 -1.08
+  153.0667 C7H9N2O2- 1 153.067 -1.6
+  193.0979 C10H13N2O2- 1 193.0983 -1.82
+  264.1347 C13H18N3O3- 2 264.1354 -2.39
+  329.1613 C17H21N4O3- 6 329.1619 -1.75
+  347.171 C17H23N4O4- 6 347.1725 -4.16
+PK$NUM_PEAK: 9
+PK$PEAK: m/z int. rel.int.
+  110.0248 23784.4 70
+  123.0565 43387.1 128
+  124.0406 32557.8 96
+  128.0352 336284.3 999
+  153.0667 26396.8 78
+  193.0979 30407 90
+  264.1347 51705 153
+  329.1613 109284.4 324
+  347.171 140213.1 416
+//
diff --git a/Eawag/MSBNK-EAWAG-EC201456.txt b/Eawag/MSBNK-EAWAG-EC201456.txt
new file mode 100644
index 0000000000..a7f0fac05c
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC201456.txt
@@ -0,0 +1,60 @@
+ACCESSION: MSBNK-EAWAG-EC201456
+RECORD_TITLE: [D-Glu(OMe)6]MC-YR (and isomers); LC-ESI-QFT; MS2; CE: 50%; R=15000; [M-H]-; First mass: 40
+DATE: 2025.02.14
+AUTHORS: R. Natumi [dtc], E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1021/acs.est.1c04194
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 2014
+CH$NAME: [D-Glu(OMe)6]MC-YR (and isomers)
+CH$NAME: [D-MeO-Glu6]MC-YR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-8-[(4-hydroxyphenyl)methyl]-22-methoxycarbonyl-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11-carboxylic acid
+CH$COMPOUND_CLASS: N/A
+CH$FORMULA: C53H74N10O13
+CH$EXACT_MASS: 1058.543682
+CH$SMILES: O=C(N(C)C(C(N[C@@H](C1=O)C)=O)=C)CC[C@H](C(OC)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CCCNC(N)=N)NC([C@@H](C)[C@H](C(O)=O)NC([C@@H](N1)CC3=CC=C(O)C=C3)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C53H74N10O13/c1-29(26-30(2)42(75-8)28-35-14-11-10-12-15-35)17-22-38-31(3)45(66)60-40(52(74)76-9)23-24-43(65)63(7)34(6)48(69)57-33(5)47(68)61-41(27-36-18-20-37(64)21-19-36)50(71)62-44(51(72)73)32(4)46(67)59-39(49(70)58-38)16-13-25-56-53(54)55/h10-12,14-15,17-22,26,30-33,38-42,44,64H,6,13,16,23-25,27-28H2,1-5,7-9H3,(H,57,69)(H,58,70)(H,59,67)(H,60,66)(H,61,68)(H,62,71)(H,72,73)(H4,54,55,56)/b22-17+,29-26+/t30-,31-,32-,33+,38-,39-,40+,41-,42-,44+/m0/s1
+CH$LINK: CHEBI 214103
+CH$LINK: PUBCHEM CID:146683831
+CH$LINK: INCHIKEY SVUNNHQOHLLNGA-OCQZQFOGSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1100
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.957 min
+MS$FOCUSED_ION: BASE_PEAK 856.4255
+MS$FOCUSED_ION: PRECURSOR_M/Z 1057.5364
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-00b9-0900000000-aa9a0e55804565cf6612
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  99.0563 C4H7N2O- 1 99.0564 -0.48
+  110.0248 C5H4NO2- 1 110.0248 0.49
+  119.0502 C8H7O- 1 119.0502 0.06
+  123.0563 C6H7N2O- 1 123.0564 -0.55
+  124.0401 C6H6NO2- 1 124.0404 -2.79
+  128.0352 C5H6NO3- 1 128.0353 -0.96
+  246.1241 C11H14N6O- 2 246.1235 2.45
+  347.1722 C17H23N4O4- 6 347.1725 -0.73
+PK$NUM_PEAK: 8
+PK$PEAK: m/z int. rel.int.
+  99.0563 28771.7 98
+  110.0248 53810.2 183
+  119.0502 37821 128
+  123.0563 118676.9 404
+  124.0401 41836 142
+  128.0352 293029 999
+  246.1241 40383.1 137
+  347.1722 35371.2 120
+//
diff --git a/Eawag/MSBNK-EAWAG-EC201457.txt b/Eawag/MSBNK-EAWAG-EC201457.txt
new file mode 100644
index 0000000000..9d85471fb1
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC201457.txt
@@ -0,0 +1,60 @@
+ACCESSION: MSBNK-EAWAG-EC201457
+RECORD_TITLE: [D-Glu(OMe)6]MC-YR (and isomers); LC-ESI-QFT; MS2; CE: 60%; R=15000; [M-H]-; First mass: 40
+DATE: 2025.02.14
+AUTHORS: R. Natumi [dtc], E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1021/acs.est.1c04194
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 2014
+CH$NAME: [D-Glu(OMe)6]MC-YR (and isomers)
+CH$NAME: [D-MeO-Glu6]MC-YR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-8-[(4-hydroxyphenyl)methyl]-22-methoxycarbonyl-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11-carboxylic acid
+CH$COMPOUND_CLASS: N/A
+CH$FORMULA: C53H74N10O13
+CH$EXACT_MASS: 1058.543682
+CH$SMILES: O=C(N(C)C(C(N[C@@H](C1=O)C)=O)=C)CC[C@H](C(OC)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CCCNC(N)=N)NC([C@@H](C)[C@H](C(O)=O)NC([C@@H](N1)CC3=CC=C(O)C=C3)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C53H74N10O13/c1-29(26-30(2)42(75-8)28-35-14-11-10-12-15-35)17-22-38-31(3)45(66)60-40(52(74)76-9)23-24-43(65)63(7)34(6)48(69)57-33(5)47(68)61-41(27-36-18-20-37(64)21-19-36)50(71)62-44(51(72)73)32(4)46(67)59-39(49(70)58-38)16-13-25-56-53(54)55/h10-12,14-15,17-22,26,30-33,38-42,44,64H,6,13,16,23-25,27-28H2,1-5,7-9H3,(H,57,69)(H,58,70)(H,59,67)(H,60,66)(H,61,68)(H,62,71)(H,72,73)(H4,54,55,56)/b22-17+,29-26+/t30-,31-,32-,33+,38-,39-,40+,41-,42-,44+/m0/s1
+CH$LINK: CHEBI 214103
+CH$LINK: PUBCHEM CID:146683831
+CH$LINK: INCHIKEY SVUNNHQOHLLNGA-OCQZQFOGSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1100
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.957 min
+MS$FOCUSED_ION: BASE_PEAK 856.4255
+MS$FOCUSED_ION: PRECURSOR_M/Z 1057.5364
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-00b9-0900000000-6f00490882cb10e3cf3f
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  99.0198 C3H3N2O2- 1 99.02 -2.09
+  99.0565 C4H7N2O- 1 99.0564 1.6
+  110.0248 C5H4NO2- 1 110.0248 0.56
+  112.0405 C5H6NO2- 1 112.0404 1.13
+  119.0497 C8H7O- 1 119.0502 -4.24
+  123.0562 C6H7N2O- 1 123.0564 -1.42
+  128.035 C5H6NO3- 1 128.0353 -2.51
+  181.0982 C9H13N2O2- 1 181.0983 -0.44
+PK$NUM_PEAK: 8
+PK$PEAK: m/z int. rel.int.
+  99.0198 16371.3 89
+  99.0565 29088.2 158
+  110.0248 53873.3 293
+  112.0405 13535.7 73
+  119.0497 50547.4 275
+  123.0562 131347.9 716
+  128.035 183141 999
+  181.0982 18190.5 99
+//
diff --git a/Eawag/MSBNK-EAWAG-EC201501.txt b/Eawag/MSBNK-EAWAG-EC201501.txt
new file mode 100644
index 0000000000..e57431aa64
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC201501.txt
@@ -0,0 +1,47 @@
+ACCESSION: MSBNK-EAWAG-EC201501
+RECORD_TITLE: MCHtyR (and isomers); LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.14
+AUTHORS: R. Natumi [dtc], E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1021/acs.est.1c04194
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 2015
+CH$NAME: MCHtyR (and isomers)
+CH$NAME: MC-HtyR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-8-[2-(4-hydroxyphenyl)ethyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: N/A
+CH$FORMULA: C53H74N10O13
+CH$EXACT_MASS: 1058.543682
+CH$SMILES: O=C(N(C)C(C(N[C@H](C)C1=O)=O)=C)CC[C@H](C(O)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CCCNC(N)=N)NC([C@@H](C)[C@H](C(O)=O)NC([C@@H](N1)CCC3=CC=C(O)C=C3)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C53H74N10O13/c1-29(27-30(2)42(76-8)28-36-13-10-9-11-14-36)16-22-38-31(3)45(66)61-41(51(72)73)24-25-43(65)63(7)34(6)48(69)57-33(5)47(68)60-40(23-19-35-17-20-37(64)21-18-35)50(71)62-44(52(74)75)32(4)46(67)59-39(49(70)58-38)15-12-26-56-53(54)55/h9-11,13-14,16-18,20-22,27,30-33,38-42,44,64H,6,12,15,19,23-26,28H2,1-5,7-8H3,(H,57,69)(H,58,70)(H,59,67)(H,60,68)(H,61,66)(H,62,71)(H,72,73)(H,74,75)(H4,54,55,56)/b22-16+,29-27+/t30-,31-,32-,33+,38-,39-,40-,41+,42-,44+/m0/s1
+CH$LINK: CHEBI 221691
+CH$LINK: PUBCHEM CID:15160480
+CH$LINK: INCHIKEY YQFCSOPLXLDHPK-CWXGWYCISA-N
+CH$LINK: CHEMSPIDER 95636783
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1102
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.944 min
+MS$FOCUSED_ION: BASE_PEAK 858.4383
+MS$FOCUSED_ION: PRECURSOR_M/Z 1059.551
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0a4i-9000000000-31e0ecfad46e5ab33ea8
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  1059.5502 C53H75N10O13+ 1 1059.551 -0.76
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  1059.5502 833953.3 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC201502.txt b/Eawag/MSBNK-EAWAG-EC201502.txt
new file mode 100644
index 0000000000..f890fecf26
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC201502.txt
@@ -0,0 +1,47 @@
+ACCESSION: MSBNK-EAWAG-EC201502
+RECORD_TITLE: MCHtyR (and isomers); LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.14
+AUTHORS: R. Natumi [dtc], E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1021/acs.est.1c04194
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 2015
+CH$NAME: MCHtyR (and isomers)
+CH$NAME: MC-HtyR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-8-[2-(4-hydroxyphenyl)ethyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: N/A
+CH$FORMULA: C53H74N10O13
+CH$EXACT_MASS: 1058.543682
+CH$SMILES: O=C(N(C)C(C(N[C@H](C)C1=O)=O)=C)CC[C@H](C(O)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CCCNC(N)=N)NC([C@@H](C)[C@H](C(O)=O)NC([C@@H](N1)CCC3=CC=C(O)C=C3)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C53H74N10O13/c1-29(27-30(2)42(76-8)28-36-13-10-9-11-14-36)16-22-38-31(3)45(66)61-41(51(72)73)24-25-43(65)63(7)34(6)48(69)57-33(5)47(68)60-40(23-19-35-17-20-37(64)21-18-35)50(71)62-44(52(74)75)32(4)46(67)59-39(49(70)58-38)15-12-26-56-53(54)55/h9-11,13-14,16-18,20-22,27,30-33,38-42,44,64H,6,12,15,19,23-26,28H2,1-5,7-8H3,(H,57,69)(H,58,70)(H,59,67)(H,60,68)(H,61,66)(H,62,71)(H,72,73)(H,74,75)(H4,54,55,56)/b22-16+,29-27+/t30-,31-,32-,33+,38-,39-,40-,41+,42-,44+/m0/s1
+CH$LINK: CHEBI 221691
+CH$LINK: PUBCHEM CID:15160480
+CH$LINK: INCHIKEY YQFCSOPLXLDHPK-CWXGWYCISA-N
+CH$LINK: CHEMSPIDER 95636783
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1102
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.944 min
+MS$FOCUSED_ION: BASE_PEAK 858.4383
+MS$FOCUSED_ION: PRECURSOR_M/Z 1059.551
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0a4i-9000000000-82e110c01a196c2b5e3a
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  1059.5509 C53H75N10O13+ 1 1059.551 -0.07
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  1059.5509 596142.6 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC201503.txt b/Eawag/MSBNK-EAWAG-EC201503.txt
new file mode 100644
index 0000000000..29990245c6
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC201503.txt
@@ -0,0 +1,47 @@
+ACCESSION: MSBNK-EAWAG-EC201503
+RECORD_TITLE: MCHtyR (and isomers); LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.14
+AUTHORS: R. Natumi [dtc], E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1021/acs.est.1c04194
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 2015
+CH$NAME: MCHtyR (and isomers)
+CH$NAME: MC-HtyR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-8-[2-(4-hydroxyphenyl)ethyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: N/A
+CH$FORMULA: C53H74N10O13
+CH$EXACT_MASS: 1058.543682
+CH$SMILES: O=C(N(C)C(C(N[C@H](C)C1=O)=O)=C)CC[C@H](C(O)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CCCNC(N)=N)NC([C@@H](C)[C@H](C(O)=O)NC([C@@H](N1)CCC3=CC=C(O)C=C3)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C53H74N10O13/c1-29(27-30(2)42(76-8)28-36-13-10-9-11-14-36)16-22-38-31(3)45(66)61-41(51(72)73)24-25-43(65)63(7)34(6)48(69)57-33(5)47(68)60-40(23-19-35-17-20-37(64)21-18-35)50(71)62-44(52(74)75)32(4)46(67)59-39(49(70)58-38)15-12-26-56-53(54)55/h9-11,13-14,16-18,20-22,27,30-33,38-42,44,64H,6,12,15,19,23-26,28H2,1-5,7-8H3,(H,57,69)(H,58,70)(H,59,67)(H,60,68)(H,61,66)(H,62,71)(H,72,73)(H,74,75)(H4,54,55,56)/b22-16+,29-27+/t30-,31-,32-,33+,38-,39-,40-,41+,42-,44+/m0/s1
+CH$LINK: CHEBI 221691
+CH$LINK: PUBCHEM CID:15160480
+CH$LINK: INCHIKEY YQFCSOPLXLDHPK-CWXGWYCISA-N
+CH$LINK: CHEMSPIDER 95636783
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1102
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.944 min
+MS$FOCUSED_ION: BASE_PEAK 858.4383
+MS$FOCUSED_ION: PRECURSOR_M/Z 1059.551
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0a4i-9000000000-97a9a07cae361aaa0fd6
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  1059.5497 C53H75N10O13+ 1 1059.551 -1.22
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  1059.5497 333116.6 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC201505.txt b/Eawag/MSBNK-EAWAG-EC201505.txt
new file mode 100644
index 0000000000..9e935a65d4
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC201505.txt
@@ -0,0 +1,91 @@
+ACCESSION: MSBNK-EAWAG-EC201505
+RECORD_TITLE: MCHtyR (and isomers); LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.14
+AUTHORS: R. Natumi [dtc], E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1021/acs.est.1c04194
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 2015
+CH$NAME: MCHtyR (and isomers)
+CH$NAME: MC-HtyR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-8-[2-(4-hydroxyphenyl)ethyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: N/A
+CH$FORMULA: C53H74N10O13
+CH$EXACT_MASS: 1058.543682
+CH$SMILES: O=C(N(C)C(C(N[C@H](C)C1=O)=O)=C)CC[C@H](C(O)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CCCNC(N)=N)NC([C@@H](C)[C@H](C(O)=O)NC([C@@H](N1)CCC3=CC=C(O)C=C3)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C53H74N10O13/c1-29(27-30(2)42(76-8)28-36-13-10-9-11-14-36)16-22-38-31(3)45(66)61-41(51(72)73)24-25-43(65)63(7)34(6)48(69)57-33(5)47(68)60-40(23-19-35-17-20-37(64)21-18-35)50(71)62-44(52(74)75)32(4)46(67)59-39(49(70)58-38)15-12-26-56-53(54)55/h9-11,13-14,16-18,20-22,27,30-33,38-42,44,64H,6,12,15,19,23-26,28H2,1-5,7-8H3,(H,57,69)(H,58,70)(H,59,67)(H,60,68)(H,61,66)(H,62,71)(H,72,73)(H,74,75)(H4,54,55,56)/b22-16+,29-27+/t30-,31-,32-,33+,38-,39-,40-,41+,42-,44+/m0/s1
+CH$LINK: CHEBI 221691
+CH$LINK: PUBCHEM CID:15160480
+CH$LINK: INCHIKEY YQFCSOPLXLDHPK-CWXGWYCISA-N
+CH$LINK: CHEMSPIDER 95636783
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1102
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.944 min
+MS$FOCUSED_ION: BASE_PEAK 858.4383
+MS$FOCUSED_ION: PRECURSOR_M/Z 1059.551
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-06ri-1920000000-5ea76b42fa73bc11b829
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  56.0495 C3H6N+ 1 56.0495 1.25
+  70.065 C4H8N+ 1 70.0651 -1.51
+  84.0443 C4H6NO+ 1 84.0444 -1.21
+  105.0698 C8H9+ 1 105.0699 -1.03
+  107.0853 C8H11+ 1 107.0855 -1.9
+  112.0868 C5H10N3+ 1 112.0869 -1.33
+  115.0862 C5H11N2O+ 1 115.0866 -3.01
+  127.0864 C6H11N2O+ 1 127.0866 -1.84
+  135.0802 C9H11O+ 1 135.0804 -1.94
+  135.1163 C10H15+ 1 135.1168 -3.7
+  140.0822 C6H10N3O+ 1 140.0818 2.62
+  150.091 C9H12NO+ 1 150.0913 -2.38
+  155.0809 C7H11N2O2+ 1 155.0815 -3.65
+  156.1244 C6H14N5+ 1 156.1244 0.43
+  158.0928 C6H12N3O2+ 1 158.0924 2.45
+  163.1114 C11H15O+ 1 163.1117 -2.38
+  174.1346 C6H16N5O+ 1 174.1349 -2.17
+  200.1134 C6H18NO6+ 3 200.1129 2.9
+  213.0864 C9H13N2O4+ 2 213.087 -2.81
+  226.1181 C10H16N3O3+ 2 226.1186 -2.19
+  246.1489 H26N2O12+ 3 246.148 3.39
+  269.1229 C9H15N7O3+ 4 269.1231 -0.63
+  285.1657 C11H21N6O3+ 4 285.167 -4.59
+PK$NUM_PEAK: 23
+PK$PEAK: m/z int. rel.int.
+  56.0495 28653.9 59
+  70.065 161485.1 335
+  84.0443 46208.2 96
+  105.0698 37340.2 77
+  107.0853 185492.9 385
+  112.0868 110966 230
+  115.0862 50793.2 105
+  127.0864 145187.8 301
+  135.0802 480287.9 999
+  135.1163 190520 396
+  140.0822 28596.2 59
+  150.091 220248.3 458
+  155.0809 187357.2 389
+  156.1244 31074.1 64
+  158.0928 21966.5 45
+  163.1114 143203.2 297
+  174.1346 104887.2 218
+  200.1134 101538.5 211
+  213.0864 227820.9 473
+  226.1181 33965.9 70
+  246.1489 31202.6 64
+  269.1229 56332.8 117
+  285.1657 56797.6 118
+//
diff --git a/Eawag/MSBNK-EAWAG-EC201506.txt b/Eawag/MSBNK-EAWAG-EC201506.txt
new file mode 100644
index 0000000000..4ca2e8df50
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC201506.txt
@@ -0,0 +1,105 @@
+ACCESSION: MSBNK-EAWAG-EC201506
+RECORD_TITLE: MCHtyR (and isomers); LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.14
+AUTHORS: R. Natumi [dtc], E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1021/acs.est.1c04194
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 2015
+CH$NAME: MCHtyR (and isomers)
+CH$NAME: MC-HtyR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-8-[2-(4-hydroxyphenyl)ethyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: N/A
+CH$FORMULA: C53H74N10O13
+CH$EXACT_MASS: 1058.543682
+CH$SMILES: O=C(N(C)C(C(N[C@H](C)C1=O)=O)=C)CC[C@H](C(O)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CCCNC(N)=N)NC([C@@H](C)[C@H](C(O)=O)NC([C@@H](N1)CCC3=CC=C(O)C=C3)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C53H74N10O13/c1-29(27-30(2)42(76-8)28-36-13-10-9-11-14-36)16-22-38-31(3)45(66)61-41(51(72)73)24-25-43(65)63(7)34(6)48(69)57-33(5)47(68)60-40(23-19-35-17-20-37(64)21-18-35)50(71)62-44(52(74)75)32(4)46(67)59-39(49(70)58-38)15-12-26-56-53(54)55/h9-11,13-14,16-18,20-22,27,30-33,38-42,44,64H,6,12,15,19,23-26,28H2,1-5,7-8H3,(H,57,69)(H,58,70)(H,59,67)(H,60,68)(H,61,66)(H,62,71)(H,72,73)(H,74,75)(H4,54,55,56)/b22-16+,29-27+/t30-,31-,32-,33+,38-,39-,40-,41+,42-,44+/m0/s1
+CH$LINK: CHEBI 221691
+CH$LINK: PUBCHEM CID:15160480
+CH$LINK: INCHIKEY YQFCSOPLXLDHPK-CWXGWYCISA-N
+CH$LINK: CHEMSPIDER 95636783
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1102
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.944 min
+MS$FOCUSED_ION: BASE_PEAK 858.4383
+MS$FOCUSED_ION: PRECURSOR_M/Z 1059.551
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-052r-1910000000-84ee9006f4263ef668f4
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  56.0494 C3H6N+ 1 56.0495 -1.41
+  70.0651 C4H8N+ 1 70.0651 -0.97
+  84.0443 C4H6NO+ 1 84.0444 -0.66
+  93.07 C7H9+ 1 93.0699 0.95
+  103.0541 C8H7+ 1 103.0542 -0.78
+  105.0697 C8H9+ 1 105.0699 -1.9
+  107.0492 C7H7O+ 1 107.0491 0.17
+  107.0854 C8H11+ 1 107.0855 -1.26
+  112.0867 C5H10N3+ 1 112.0869 -1.94
+  115.0865 C5H11N2O+ 1 115.0866 -0.89
+  117.0697 C9H9+ 1 117.0699 -1.48
+  127.0864 C6H11N2O+ 1 127.0866 -1.24
+  130.0496 C5H8NO3+ 1 130.0499 -2.24
+  131.0856 C10H11+ 1 131.0855 0.44
+  133.065 C9H9O+ 1 133.0648 1.73
+  135.0802 C9H11O+ 1 135.0804 -1.71
+  135.1164 C10H15+ 1 135.1168 -3.47
+  140.0816 C6H10N3O+ 1 140.0818 -1.73
+  141.0654 C6H9N2O2+ 1 141.0659 -2.87
+  150.091 C9H12NO+ 1 150.0913 -2.18
+  155.0811 C7H11N2O2+ 1 155.0815 -2.86
+  157.1083 C6H13N4O+ 1 157.1084 -0.4
+  163.1116 C11H15O+ 1 163.1117 -0.79
+  167.0814 C8H11N2O2+ 1 167.0815 -0.86
+  174.1345 C6H16N5O+ 1 174.1349 -2.43
+  183.0873 C7H11N4O2+ 1 183.0877 -1.81
+  200.1138 C6H18NO6+ 3 200.1129 4.58
+  201.0984 C7H13N4O3+ 1 201.0982 1.11
+  213.0865 C9H13N2O4+ 2 213.087 -2.31
+  226.1184 C10H16N3O3+ 1 226.1186 -0.91
+PK$NUM_PEAK: 30
+PK$PEAK: m/z int. rel.int.
+  56.0494 58492.3 81
+  70.0651 341343.9 475
+  84.0443 111948.6 155
+  93.07 78188.8 108
+  103.0541 107496.4 149
+  105.0697 130482 181
+  107.0492 151584.8 211
+  107.0854 355536.7 495
+  112.0867 155386.6 216
+  115.0865 83353.6 116
+  117.0697 76403.5 106
+  127.0864 337867.3 470
+  130.0496 21774.3 30
+  131.0856 18148 25
+  133.065 18614.4 25
+  135.0802 717536 999
+  135.1164 247324.8 344
+  140.0816 32282 44
+  141.0654 45954.6 63
+  150.091 181446.6 252
+  155.0811 141971.3 197
+  157.1083 67885.1 94
+  163.1116 92096.4 128
+  167.0814 45551.9 63
+  174.1345 46839.4 65
+  183.0873 26221.8 36
+  200.1138 99924.8 139
+  201.0984 26465.3 36
+  213.0865 207507.7 288
+  226.1184 35201.7 49
+//
diff --git a/Eawag/MSBNK-EAWAG-EC201507.txt b/Eawag/MSBNK-EAWAG-EC201507.txt
new file mode 100644
index 0000000000..028cf388a3
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC201507.txt
@@ -0,0 +1,105 @@
+ACCESSION: MSBNK-EAWAG-EC201507
+RECORD_TITLE: MCHtyR (and isomers); LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.14
+AUTHORS: R. Natumi [dtc], E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1021/acs.est.1c04194
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 2015
+CH$NAME: MCHtyR (and isomers)
+CH$NAME: MC-HtyR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-8-[2-(4-hydroxyphenyl)ethyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: N/A
+CH$FORMULA: C53H74N10O13
+CH$EXACT_MASS: 1058.543682
+CH$SMILES: O=C(N(C)C(C(N[C@H](C)C1=O)=O)=C)CC[C@H](C(O)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CCCNC(N)=N)NC([C@@H](C)[C@H](C(O)=O)NC([C@@H](N1)CCC3=CC=C(O)C=C3)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C53H74N10O13/c1-29(27-30(2)42(76-8)28-36-13-10-9-11-14-36)16-22-38-31(3)45(66)61-41(51(72)73)24-25-43(65)63(7)34(6)48(69)57-33(5)47(68)60-40(23-19-35-17-20-37(64)21-18-35)50(71)62-44(52(74)75)32(4)46(67)59-39(49(70)58-38)15-12-26-56-53(54)55/h9-11,13-14,16-18,20-22,27,30-33,38-42,44,64H,6,12,15,19,23-26,28H2,1-5,7-8H3,(H,57,69)(H,58,70)(H,59,67)(H,60,68)(H,61,66)(H,62,71)(H,72,73)(H,74,75)(H4,54,55,56)/b22-16+,29-27+/t30-,31-,32-,33+,38-,39-,40-,41+,42-,44+/m0/s1
+CH$LINK: CHEBI 221691
+CH$LINK: PUBCHEM CID:15160480
+CH$LINK: INCHIKEY YQFCSOPLXLDHPK-CWXGWYCISA-N
+CH$LINK: CHEMSPIDER 95636783
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1102
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.944 min
+MS$FOCUSED_ION: BASE_PEAK 858.4383
+MS$FOCUSED_ION: PRECURSOR_M/Z 1059.551
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0abi-3900000000-84ebd5afc50c648e0396
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  56.0494 C3H6N+ 1 56.0495 -1.81
+  70.065 C4H8N+ 1 70.0651 -1.51
+  79.0544 C6H7+ 1 79.0542 1.84
+  84.0443 C4H6NO+ 1 84.0444 -1.12
+  91.0541 C7H7+ 1 91.0542 -1.62
+  93.0698 C7H9+ 1 93.0699 -1.1
+  97.0759 C5H9N2+ 1 97.076 -0.86
+  98.0599 C5H8NO+ 1 98.06 -1.47
+  103.0541 C8H7+ 1 103.0542 -1.07
+  105.0698 C8H9+ 1 105.0699 -1.17
+  107.0491 C7H7O+ 1 107.0491 -0.54
+  107.0854 C8H11+ 1 107.0855 -1.19
+  112.0867 C5H10N3+ 1 112.0869 -1.74
+  113.0709 C5H9N2O+ 1 113.0709 -0.45
+  115.0543 C9H7+ 1 115.0542 1.02
+  115.0865 C5H11N2O+ 1 115.0866 -1.02
+  117.0696 C9H9+ 1 117.0699 -2.58
+  127.0864 C6H11N2O+ 1 127.0866 -1.54
+  135.0802 C9H11O+ 1 135.0804 -1.94
+  135.1164 C10H15+ 1 135.1168 -3.13
+  138.0551 C7H8NO2+ 1 138.055 0.92
+  140.0823 C6H10N3O+ 1 140.0818 3.17
+  141.0655 C6H9N2O2+ 1 141.0659 -2.76
+  150.0911 C9H12NO+ 1 150.0913 -1.77
+  155.0811 C7H11N2O2+ 1 155.0815 -2.67
+  157.1083 C6H13N4O+ 1 157.1084 -0.5
+  158.0924 C6H12N3O2+ 1 158.0924 0.23
+  163.1114 C11H15O+ 1 163.1117 -2.01
+  167.0814 C8H11N2O2+ 1 167.0815 -0.86
+  213.0864 C9H13N2O4+ 2 213.087 -2.81
+PK$NUM_PEAK: 30
+PK$PEAK: m/z int. rel.int.
+  56.0494 115161.1 216
+  70.065 530678.6 999
+  79.0544 32084.7 60
+  84.0443 128856.3 242
+  91.0541 103676.6 195
+  93.0698 100660.5 189
+  97.0759 36034.8 67
+  98.0599 37728.4 71
+  103.0541 273349.2 514
+  105.0698 259540.8 488
+  107.0491 264507.2 497
+  107.0854 436923.8 822
+  112.0867 129809.4 244
+  113.0709 24622.4 46
+  115.0543 35695.4 67
+  115.0865 96773.9 182
+  117.0696 116340.2 219
+  127.0864 386853.8 728
+  135.0802 524936.1 988
+  135.1164 180377.1 339
+  138.0551 35580.9 66
+  140.0823 29308.7 55
+  141.0655 70944.5 133
+  150.0911 68743.3 129
+  155.0811 79847.4 150
+  157.1083 48779.3 91
+  158.0924 18924.2 35
+  163.1114 37054.5 69
+  167.0814 76559 144
+  213.0864 104184.7 196
+//
diff --git a/Eawag/MSBNK-EAWAG-EC201508.txt b/Eawag/MSBNK-EAWAG-EC201508.txt
new file mode 100644
index 0000000000..ae6346fb87
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC201508.txt
@@ -0,0 +1,93 @@
+ACCESSION: MSBNK-EAWAG-EC201508
+RECORD_TITLE: MCHtyR (and isomers); LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.14
+AUTHORS: R. Natumi [dtc], E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1021/acs.est.1c04194
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 2015
+CH$NAME: MCHtyR (and isomers)
+CH$NAME: MC-HtyR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-8-[2-(4-hydroxyphenyl)ethyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: N/A
+CH$FORMULA: C53H74N10O13
+CH$EXACT_MASS: 1058.543682
+CH$SMILES: O=C(N(C)C(C(N[C@H](C)C1=O)=O)=C)CC[C@H](C(O)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CCCNC(N)=N)NC([C@@H](C)[C@H](C(O)=O)NC([C@@H](N1)CCC3=CC=C(O)C=C3)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C53H74N10O13/c1-29(27-30(2)42(76-8)28-36-13-10-9-11-14-36)16-22-38-31(3)45(66)61-41(51(72)73)24-25-43(65)63(7)34(6)48(69)57-33(5)47(68)60-40(23-19-35-17-20-37(64)21-18-35)50(71)62-44(52(74)75)32(4)46(67)59-39(49(70)58-38)15-12-26-56-53(54)55/h9-11,13-14,16-18,20-22,27,30-33,38-42,44,64H,6,12,15,19,23-26,28H2,1-5,7-8H3,(H,57,69)(H,58,70)(H,59,67)(H,60,68)(H,61,66)(H,62,71)(H,72,73)(H,74,75)(H4,54,55,56)/b22-16+,29-27+/t30-,31-,32-,33+,38-,39-,40-,41+,42-,44+/m0/s1
+CH$LINK: CHEBI 221691
+CH$LINK: PUBCHEM CID:15160480
+CH$LINK: INCHIKEY YQFCSOPLXLDHPK-CWXGWYCISA-N
+CH$LINK: CHEMSPIDER 95636783
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1102
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.944 min
+MS$FOCUSED_ION: BASE_PEAK 858.4383
+MS$FOCUSED_ION: PRECURSOR_M/Z 1059.551
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0ab9-5900000000-65180fbaf4b1b4dd6412
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  56.0493 C3H6N+ 1 56.0495 -2.29
+  60.0557 CH6N3+ 1 60.0556 1.06
+  70.065 C4H8N+ 1 70.0651 -1.41
+  79.0542 C6H7+ 1 79.0542 -0.86
+  82.0653 C5H8N+ 1 82.0651 2.69
+  84.0442 C4H6NO+ 1 84.0444 -1.75
+  91.0541 C7H7+ 1 91.0542 -1.37
+  93.0697 C7H9+ 1 93.0699 -1.67
+  95.049 C6H7O+ 1 95.0491 -1.32
+  97.0761 C5H9N2+ 1 97.076 0.39
+  98.06 C5H8NO+ 1 98.06 -0.14
+  99.0918 C5H11N2+ 1 99.0917 1.21
+  103.054 C8H7+ 1 103.0542 -1.89
+  105.0697 C8H9+ 1 105.0699 -1.61
+  107.049 C7H7O+ 1 107.0491 -1.75
+  107.0853 C8H11+ 1 107.0855 -2.19
+  112.0869 C5H10N3+ 1 112.0869 -0.51
+  115.0538 C9H7+ 1 115.0542 -3.55
+  117.0696 C9H9+ 1 117.0699 -2.06
+  127.0863 C6H11N2O+ 1 127.0866 -1.9
+  135.0802 C9H11O+ 1 135.0804 -1.94
+  135.1167 C10H15+ 1 135.1168 -1.21
+  149.0713 C8H9N2O+ 1 149.0709 2.52
+  213.0867 C9H13N2O4+ 2 213.087 -1.52
+PK$NUM_PEAK: 24
+PK$PEAK: m/z int. rel.int.
+  56.0493 153227 290
+  60.0557 18926.9 35
+  70.065 527608.9 999
+  79.0542 49348.3 93
+  82.0653 37746.8 71
+  84.0442 133285.9 252
+  91.0541 129641.3 245
+  93.0697 99209.6 187
+  95.049 26467.4 50
+  97.0761 38586.4 73
+  98.06 44136.5 83
+  99.0918 36041.8 68
+  103.054 453466.7 858
+  105.0697 309085.2 585
+  107.049 274551.9 519
+  107.0853 317613.2 601
+  112.0869 102091.7 193
+  115.0538 38235.6 72
+  117.0696 125349.5 237
+  127.0863 311710.6 590
+  135.0802 253790.6 480
+  135.1167 68843.4 130
+  149.0713 10454.5 19
+  213.0867 35208.4 66
+//
diff --git a/Eawag/MSBNK-EAWAG-EC201509.txt b/Eawag/MSBNK-EAWAG-EC201509.txt
new file mode 100644
index 0000000000..41bff1c186
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC201509.txt
@@ -0,0 +1,87 @@
+ACCESSION: MSBNK-EAWAG-EC201509
+RECORD_TITLE: MCHtyR (and isomers); LC-ESI-QFT; MS2; CE: 80%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.14
+AUTHORS: R. Natumi [dtc], E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1021/acs.est.1c04194
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 2015
+CH$NAME: MCHtyR (and isomers)
+CH$NAME: MC-HtyR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-8-[2-(4-hydroxyphenyl)ethyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: N/A
+CH$FORMULA: C53H74N10O13
+CH$EXACT_MASS: 1058.543682
+CH$SMILES: O=C(N(C)C(C(N[C@H](C)C1=O)=O)=C)CC[C@H](C(O)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CCCNC(N)=N)NC([C@@H](C)[C@H](C(O)=O)NC([C@@H](N1)CCC3=CC=C(O)C=C3)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C53H74N10O13/c1-29(27-30(2)42(76-8)28-36-13-10-9-11-14-36)16-22-38-31(3)45(66)61-41(51(72)73)24-25-43(65)63(7)34(6)48(69)57-33(5)47(68)60-40(23-19-35-17-20-37(64)21-18-35)50(71)62-44(52(74)75)32(4)46(67)59-39(49(70)58-38)15-12-26-56-53(54)55/h9-11,13-14,16-18,20-22,27,30-33,38-42,44,64H,6,12,15,19,23-26,28H2,1-5,7-8H3,(H,57,69)(H,58,70)(H,59,67)(H,60,68)(H,61,66)(H,62,71)(H,72,73)(H,74,75)(H4,54,55,56)/b22-16+,29-27+/t30-,31-,32-,33+,38-,39-,40-,41+,42-,44+/m0/s1
+CH$LINK: CHEBI 221691
+CH$LINK: PUBCHEM CID:15160480
+CH$LINK: INCHIKEY YQFCSOPLXLDHPK-CWXGWYCISA-N
+CH$LINK: CHEMSPIDER 95636783
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1102
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.944 min
+MS$FOCUSED_ION: BASE_PEAK 858.4383
+MS$FOCUSED_ION: PRECURSOR_M/Z 1059.551
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0pi0-7900000000-8afd2e88bda37a9aaef7
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  56.0494 C3H6N+ 1 56.0495 -1.13
+  60.0558 CH6N3+ 1 60.0556 3.03
+  70.0651 C4H8N+ 1 70.0651 -1.08
+  77.0387 C6H5+ 1 77.0386 1.92
+  79.0541 C6H7+ 1 79.0542 -1.53
+  82.0652 C5H8N+ 1 82.0651 1.39
+  84.0442 C4H6NO+ 1 84.0444 -1.84
+  91.0541 C7H7+ 1 91.0542 -1.12
+  93.0696 C7H9+ 1 93.0699 -2.74
+  95.049 C6H7O+ 1 95.0491 -1.24
+  97.0762 C5H9N2+ 1 97.076 1.97
+  98.06 C5H8NO+ 1 98.06 -0.84
+  99.0917 C5H11N2+ 1 99.0917 -0.18
+  103.0541 C8H7+ 1 103.0542 -1.15
+  105.0698 C8H9+ 1 105.0699 -1.03
+  107.049 C7H7O+ 1 107.0491 -1.39
+  107.0854 C8H11+ 1 107.0855 -1.19
+  115.054 C9H7+ 1 115.0542 -2.03
+  117.0697 C9H9+ 1 117.0699 -1.15
+  127.0865 C6H11N2O+ 1 127.0866 -0.94
+  135.0802 C9H11O+ 1 135.0804 -1.71
+PK$NUM_PEAK: 21
+PK$PEAK: m/z int. rel.int.
+  56.0494 228068.2 352
+  60.0558 22276.8 34
+  70.0651 550496.1 851
+  77.0387 29141 45
+  79.0541 82644.3 127
+  82.0652 36416.8 56
+  84.0442 139715 216
+  91.0541 200626.3 310
+  93.0696 88688.1 137
+  95.049 70341.8 108
+  97.0762 32476.1 50
+  98.06 64157.1 99
+  99.0917 38001.6 58
+  103.0541 645827.3 999
+  105.0698 315183.2 487
+  107.049 300288.1 464
+  107.0854 234081.1 362
+  115.054 69519.7 107
+  117.0697 95842.7 148
+  127.0865 188244.2 291
+  135.0802 108912 168
+//
diff --git a/Eawag/MSBNK-EAWAG-EC201551.txt b/Eawag/MSBNK-EAWAG-EC201551.txt
new file mode 100644
index 0000000000..e89bd2fbd1
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC201551.txt
@@ -0,0 +1,47 @@
+ACCESSION: MSBNK-EAWAG-EC201551
+RECORD_TITLE: MCHtyR (and isomers); LC-ESI-QFT; MS2; CE: 15%; R=15000; [M-H]-; First mass: 40
+DATE: 2025.02.14
+AUTHORS: R. Natumi [dtc], E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1021/acs.est.1c04194
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 2015
+CH$NAME: MCHtyR (and isomers)
+CH$NAME: MC-HtyR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-8-[2-(4-hydroxyphenyl)ethyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: N/A
+CH$FORMULA: C53H74N10O13
+CH$EXACT_MASS: 1058.543682
+CH$SMILES: O=C(N(C)C(C(N[C@H](C)C1=O)=O)=C)CC[C@H](C(O)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CCCNC(N)=N)NC([C@@H](C)[C@H](C(O)=O)NC([C@@H](N1)CCC3=CC=C(O)C=C3)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C53H74N10O13/c1-29(27-30(2)42(76-8)28-36-13-10-9-11-14-36)16-22-38-31(3)45(66)61-41(51(72)73)24-25-43(65)63(7)34(6)48(69)57-33(5)47(68)60-40(23-19-35-17-20-37(64)21-18-35)50(71)62-44(52(74)75)32(4)46(67)59-39(49(70)58-38)15-12-26-56-53(54)55/h9-11,13-14,16-18,20-22,27,30-33,38-42,44,64H,6,12,15,19,23-26,28H2,1-5,7-8H3,(H,57,69)(H,58,70)(H,59,67)(H,60,68)(H,61,66)(H,62,71)(H,72,73)(H,74,75)(H4,54,55,56)/b22-16+,29-27+/t30-,31-,32-,33+,38-,39-,40-,41+,42-,44+/m0/s1
+CH$LINK: CHEBI 221691
+CH$LINK: PUBCHEM CID:15160480
+CH$LINK: INCHIKEY YQFCSOPLXLDHPK-CWXGWYCISA-N
+CH$LINK: CHEMSPIDER 95636783
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1100
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.957 min
+MS$FOCUSED_ION: BASE_PEAK 856.4255
+MS$FOCUSED_ION: PRECURSOR_M/Z 1057.5364
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0a4i-9000000000-df31c7cde6c97e55d2c0
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  1057.5366 C53H73N10O13- 1 1057.5364 0.15
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  1057.5366 562649.4 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC201552.txt b/Eawag/MSBNK-EAWAG-EC201552.txt
new file mode 100644
index 0000000000..395d03d20f
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC201552.txt
@@ -0,0 +1,47 @@
+ACCESSION: MSBNK-EAWAG-EC201552
+RECORD_TITLE: MCHtyR (and isomers); LC-ESI-QFT; MS2; CE: 20%; R=15000; [M-H]-; First mass: 40
+DATE: 2025.02.14
+AUTHORS: R. Natumi [dtc], E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1021/acs.est.1c04194
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 2015
+CH$NAME: MCHtyR (and isomers)
+CH$NAME: MC-HtyR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-8-[2-(4-hydroxyphenyl)ethyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: N/A
+CH$FORMULA: C53H74N10O13
+CH$EXACT_MASS: 1058.543682
+CH$SMILES: O=C(N(C)C(C(N[C@H](C)C1=O)=O)=C)CC[C@H](C(O)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CCCNC(N)=N)NC([C@@H](C)[C@H](C(O)=O)NC([C@@H](N1)CCC3=CC=C(O)C=C3)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C53H74N10O13/c1-29(27-30(2)42(76-8)28-36-13-10-9-11-14-36)16-22-38-31(3)45(66)61-41(51(72)73)24-25-43(65)63(7)34(6)48(69)57-33(5)47(68)60-40(23-19-35-17-20-37(64)21-18-35)50(71)62-44(52(74)75)32(4)46(67)59-39(49(70)58-38)15-12-26-56-53(54)55/h9-11,13-14,16-18,20-22,27,30-33,38-42,44,64H,6,12,15,19,23-26,28H2,1-5,7-8H3,(H,57,69)(H,58,70)(H,59,67)(H,60,68)(H,61,66)(H,62,71)(H,72,73)(H,74,75)(H4,54,55,56)/b22-16+,29-27+/t30-,31-,32-,33+,38-,39-,40-,41+,42-,44+/m0/s1
+CH$LINK: CHEBI 221691
+CH$LINK: PUBCHEM CID:15160480
+CH$LINK: INCHIKEY YQFCSOPLXLDHPK-CWXGWYCISA-N
+CH$LINK: CHEMSPIDER 95636783
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1100
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.957 min
+MS$FOCUSED_ION: BASE_PEAK 856.4255
+MS$FOCUSED_ION: PRECURSOR_M/Z 1057.5364
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0a4i-9000000000-556b1a3c9d54dbd7b38a
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  1057.5374 C53H73N10O13- 1 1057.5364 0.96
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  1057.5374 561278.4 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC201553.txt b/Eawag/MSBNK-EAWAG-EC201553.txt
new file mode 100644
index 0000000000..36a0b8bf6a
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC201553.txt
@@ -0,0 +1,49 @@
+ACCESSION: MSBNK-EAWAG-EC201553
+RECORD_TITLE: MCHtyR (and isomers); LC-ESI-QFT; MS2; CE: 25%; R=15000; [M-H]-; First mass: 40
+DATE: 2025.02.14
+AUTHORS: R. Natumi [dtc], E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1021/acs.est.1c04194
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 2015
+CH$NAME: MCHtyR (and isomers)
+CH$NAME: MC-HtyR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-8-[2-(4-hydroxyphenyl)ethyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: N/A
+CH$FORMULA: C53H74N10O13
+CH$EXACT_MASS: 1058.543682
+CH$SMILES: O=C(N(C)C(C(N[C@H](C)C1=O)=O)=C)CC[C@H](C(O)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CCCNC(N)=N)NC([C@@H](C)[C@H](C(O)=O)NC([C@@H](N1)CCC3=CC=C(O)C=C3)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C53H74N10O13/c1-29(27-30(2)42(76-8)28-36-13-10-9-11-14-36)16-22-38-31(3)45(66)61-41(51(72)73)24-25-43(65)63(7)34(6)48(69)57-33(5)47(68)60-40(23-19-35-17-20-37(64)21-18-35)50(71)62-44(52(74)75)32(4)46(67)59-39(49(70)58-38)15-12-26-56-53(54)55/h9-11,13-14,16-18,20-22,27,30-33,38-42,44,64H,6,12,15,19,23-26,28H2,1-5,7-8H3,(H,57,69)(H,58,70)(H,59,67)(H,60,68)(H,61,66)(H,62,71)(H,72,73)(H,74,75)(H4,54,55,56)/b22-16+,29-27+/t30-,31-,32-,33+,38-,39-,40-,41+,42-,44+/m0/s1
+CH$LINK: CHEBI 221691
+CH$LINK: PUBCHEM CID:15160480
+CH$LINK: INCHIKEY YQFCSOPLXLDHPK-CWXGWYCISA-N
+CH$LINK: CHEMSPIDER 95636783
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1100
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.957 min
+MS$FOCUSED_ION: BASE_PEAK 856.4255
+MS$FOCUSED_ION: PRECURSOR_M/Z 1057.5364
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0a4r-9000000000-422cc4614079a161e31b
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  1039.5271 C53H71N10O12- 1 1039.5258 1.25
+  1057.5371 C53H73N10O13- 1 1057.5364 0.62
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  1039.5271 172705 877
+  1057.5371 196632.2 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC201554.txt b/Eawag/MSBNK-EAWAG-EC201554.txt
new file mode 100644
index 0000000000..eddcdcaf17
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC201554.txt
@@ -0,0 +1,49 @@
+ACCESSION: MSBNK-EAWAG-EC201554
+RECORD_TITLE: MCHtyR (and isomers); LC-ESI-QFT; MS2; CE: 30%; R=15000; [M-H]-; First mass: 40
+DATE: 2025.02.14
+AUTHORS: R. Natumi [dtc], E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1021/acs.est.1c04194
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 2015
+CH$NAME: MCHtyR (and isomers)
+CH$NAME: MC-HtyR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-8-[2-(4-hydroxyphenyl)ethyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: N/A
+CH$FORMULA: C53H74N10O13
+CH$EXACT_MASS: 1058.543682
+CH$SMILES: O=C(N(C)C(C(N[C@H](C)C1=O)=O)=C)CC[C@H](C(O)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CCCNC(N)=N)NC([C@@H](C)[C@H](C(O)=O)NC([C@@H](N1)CCC3=CC=C(O)C=C3)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C53H74N10O13/c1-29(27-30(2)42(76-8)28-36-13-10-9-11-14-36)16-22-38-31(3)45(66)61-41(51(72)73)24-25-43(65)63(7)34(6)48(69)57-33(5)47(68)60-40(23-19-35-17-20-37(64)21-18-35)50(71)62-44(52(74)75)32(4)46(67)59-39(49(70)58-38)15-12-26-56-53(54)55/h9-11,13-14,16-18,20-22,27,30-33,38-42,44,64H,6,12,15,19,23-26,28H2,1-5,7-8H3,(H,57,69)(H,58,70)(H,59,67)(H,60,68)(H,61,66)(H,62,71)(H,72,73)(H,74,75)(H4,54,55,56)/b22-16+,29-27+/t30-,31-,32-,33+,38-,39-,40-,41+,42-,44+/m0/s1
+CH$LINK: CHEBI 221691
+CH$LINK: PUBCHEM CID:15160480
+CH$LINK: INCHIKEY YQFCSOPLXLDHPK-CWXGWYCISA-N
+CH$LINK: CHEMSPIDER 95636783
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1100
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.957 min
+MS$FOCUSED_ION: BASE_PEAK 856.4255
+MS$FOCUSED_ION: PRECURSOR_M/Z 1057.5364
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-002r-9500000000-680993524e95349f6072
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  128.0352 C5H6NO3- 1 128.0353 -0.84
+  1039.526 C53H71N10O12- 1 1039.5258 0.19
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  128.0352 79842.2 636
+  1039.526 125222.6 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC201555.txt b/Eawag/MSBNK-EAWAG-EC201555.txt
new file mode 100644
index 0000000000..2a2d97c9f6
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC201555.txt
@@ -0,0 +1,63 @@
+ACCESSION: MSBNK-EAWAG-EC201555
+RECORD_TITLE: MCHtyR (and isomers); LC-ESI-QFT; MS2; CE: 40%; R=15000; [M-H]-; First mass: 40
+DATE: 2025.02.14
+AUTHORS: R. Natumi [dtc], E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1021/acs.est.1c04194
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 2015
+CH$NAME: MCHtyR (and isomers)
+CH$NAME: MC-HtyR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-8-[2-(4-hydroxyphenyl)ethyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: N/A
+CH$FORMULA: C53H74N10O13
+CH$EXACT_MASS: 1058.543682
+CH$SMILES: O=C(N(C)C(C(N[C@H](C)C1=O)=O)=C)CC[C@H](C(O)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CCCNC(N)=N)NC([C@@H](C)[C@H](C(O)=O)NC([C@@H](N1)CCC3=CC=C(O)C=C3)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C53H74N10O13/c1-29(27-30(2)42(76-8)28-36-13-10-9-11-14-36)16-22-38-31(3)45(66)61-41(51(72)73)24-25-43(65)63(7)34(6)48(69)57-33(5)47(68)60-40(23-19-35-17-20-37(64)21-18-35)50(71)62-44(52(74)75)32(4)46(67)59-39(49(70)58-38)15-12-26-56-53(54)55/h9-11,13-14,16-18,20-22,27,30-33,38-42,44,64H,6,12,15,19,23-26,28H2,1-5,7-8H3,(H,57,69)(H,58,70)(H,59,67)(H,60,68)(H,61,66)(H,62,71)(H,72,73)(H,74,75)(H4,54,55,56)/b22-16+,29-27+/t30-,31-,32-,33+,38-,39-,40-,41+,42-,44+/m0/s1
+CH$LINK: CHEBI 221691
+CH$LINK: PUBCHEM CID:15160480
+CH$LINK: INCHIKEY YQFCSOPLXLDHPK-CWXGWYCISA-N
+CH$LINK: CHEMSPIDER 95636783
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1100
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.957 min
+MS$FOCUSED_ION: BASE_PEAK 856.4255
+MS$FOCUSED_ION: PRECURSOR_M/Z 1057.5364
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-004i-0904000000-f31a7da3018aa6e91f9b
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  110.0248 C5H4NO2- 1 110.0248 0.22
+  123.0565 C6H7N2O- 1 123.0564 0.94
+  124.0406 C6H6NO2- 1 124.0404 1.83
+  128.0352 C5H6NO3- 1 128.0353 -1.08
+  153.0667 C7H9N2O2- 1 153.067 -1.6
+  193.0979 C10H13N2O2- 1 193.0983 -1.82
+  264.1347 C13H18N3O3- 2 264.1354 -2.39
+  329.1613 C17H21N4O3- 6 329.1619 -1.75
+  347.171 C17H23N4O4- 6 347.1725 -4.16
+PK$NUM_PEAK: 9
+PK$PEAK: m/z int. rel.int.
+  110.0248 23784.4 70
+  123.0565 43387.1 128
+  124.0406 32557.8 96
+  128.0352 336284.3 999
+  153.0667 26396.8 78
+  193.0979 30407 90
+  264.1347 51705 153
+  329.1613 109284.4 324
+  347.171 140213.1 416
+//
diff --git a/Eawag/MSBNK-EAWAG-EC201556.txt b/Eawag/MSBNK-EAWAG-EC201556.txt
new file mode 100644
index 0000000000..c9df2be1eb
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC201556.txt
@@ -0,0 +1,61 @@
+ACCESSION: MSBNK-EAWAG-EC201556
+RECORD_TITLE: MCHtyR (and isomers); LC-ESI-QFT; MS2; CE: 50%; R=15000; [M-H]-; First mass: 40
+DATE: 2025.02.14
+AUTHORS: R. Natumi [dtc], E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1021/acs.est.1c04194
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 2015
+CH$NAME: MCHtyR (and isomers)
+CH$NAME: MC-HtyR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-8-[2-(4-hydroxyphenyl)ethyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: N/A
+CH$FORMULA: C53H74N10O13
+CH$EXACT_MASS: 1058.543682
+CH$SMILES: O=C(N(C)C(C(N[C@H](C)C1=O)=O)=C)CC[C@H](C(O)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CCCNC(N)=N)NC([C@@H](C)[C@H](C(O)=O)NC([C@@H](N1)CCC3=CC=C(O)C=C3)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C53H74N10O13/c1-29(27-30(2)42(76-8)28-36-13-10-9-11-14-36)16-22-38-31(3)45(66)61-41(51(72)73)24-25-43(65)63(7)34(6)48(69)57-33(5)47(68)60-40(23-19-35-17-20-37(64)21-18-35)50(71)62-44(52(74)75)32(4)46(67)59-39(49(70)58-38)15-12-26-56-53(54)55/h9-11,13-14,16-18,20-22,27,30-33,38-42,44,64H,6,12,15,19,23-26,28H2,1-5,7-8H3,(H,57,69)(H,58,70)(H,59,67)(H,60,68)(H,61,66)(H,62,71)(H,72,73)(H,74,75)(H4,54,55,56)/b22-16+,29-27+/t30-,31-,32-,33+,38-,39-,40-,41+,42-,44+/m0/s1
+CH$LINK: CHEBI 221691
+CH$LINK: PUBCHEM CID:15160480
+CH$LINK: INCHIKEY YQFCSOPLXLDHPK-CWXGWYCISA-N
+CH$LINK: CHEMSPIDER 95636783
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1100
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.957 min
+MS$FOCUSED_ION: BASE_PEAK 856.4255
+MS$FOCUSED_ION: PRECURSOR_M/Z 1057.5364
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-00b9-0900000000-aa9a0e55804565cf6612
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  99.0563 C4H7N2O- 1 99.0564 -0.48
+  110.0248 C5H4NO2- 1 110.0248 0.49
+  119.0502 C8H7O- 1 119.0502 0.06
+  123.0563 C6H7N2O- 1 123.0564 -0.55
+  124.0401 C6H6NO2- 1 124.0404 -2.79
+  128.0352 C5H6NO3- 1 128.0353 -0.96
+  246.1241 C11H14N6O- 2 246.1235 2.45
+  347.1722 C17H23N4O4- 6 347.1725 -0.73
+PK$NUM_PEAK: 8
+PK$PEAK: m/z int. rel.int.
+  99.0563 28771.7 98
+  110.0248 53810.2 183
+  119.0502 37821 128
+  123.0563 118676.9 404
+  124.0401 41836 142
+  128.0352 293029 999
+  246.1241 40383.1 137
+  347.1722 35371.2 120
+//
diff --git a/Eawag/MSBNK-EAWAG-EC201557.txt b/Eawag/MSBNK-EAWAG-EC201557.txt
new file mode 100644
index 0000000000..636d3e8ffc
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC201557.txt
@@ -0,0 +1,61 @@
+ACCESSION: MSBNK-EAWAG-EC201557
+RECORD_TITLE: MCHtyR (and isomers); LC-ESI-QFT; MS2; CE: 60%; R=15000; [M-H]-; First mass: 40
+DATE: 2025.02.14
+AUTHORS: R. Natumi [dtc], E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1021/acs.est.1c04194
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 2015
+CH$NAME: MCHtyR (and isomers)
+CH$NAME: MC-HtyR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-8-[2-(4-hydroxyphenyl)ethyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: N/A
+CH$FORMULA: C53H74N10O13
+CH$EXACT_MASS: 1058.543682
+CH$SMILES: O=C(N(C)C(C(N[C@H](C)C1=O)=O)=C)CC[C@H](C(O)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CCCNC(N)=N)NC([C@@H](C)[C@H](C(O)=O)NC([C@@H](N1)CCC3=CC=C(O)C=C3)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C53H74N10O13/c1-29(27-30(2)42(76-8)28-36-13-10-9-11-14-36)16-22-38-31(3)45(66)61-41(51(72)73)24-25-43(65)63(7)34(6)48(69)57-33(5)47(68)60-40(23-19-35-17-20-37(64)21-18-35)50(71)62-44(52(74)75)32(4)46(67)59-39(49(70)58-38)15-12-26-56-53(54)55/h9-11,13-14,16-18,20-22,27,30-33,38-42,44,64H,6,12,15,19,23-26,28H2,1-5,7-8H3,(H,57,69)(H,58,70)(H,59,67)(H,60,68)(H,61,66)(H,62,71)(H,72,73)(H,74,75)(H4,54,55,56)/b22-16+,29-27+/t30-,31-,32-,33+,38-,39-,40-,41+,42-,44+/m0/s1
+CH$LINK: CHEBI 221691
+CH$LINK: PUBCHEM CID:15160480
+CH$LINK: INCHIKEY YQFCSOPLXLDHPK-CWXGWYCISA-N
+CH$LINK: CHEMSPIDER 95636783
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1100
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.957 min
+MS$FOCUSED_ION: BASE_PEAK 856.4255
+MS$FOCUSED_ION: PRECURSOR_M/Z 1057.5364
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-00b9-0900000000-6f00490882cb10e3cf3f
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  99.0198 C3H3N2O2- 1 99.02 -2.09
+  99.0565 C4H7N2O- 1 99.0564 1.6
+  110.0248 C5H4NO2- 1 110.0248 0.56
+  112.0405 C5H6NO2- 1 112.0404 1.13
+  119.0497 C8H7O- 1 119.0502 -4.24
+  123.0562 C6H7N2O- 1 123.0564 -1.42
+  128.035 C5H6NO3- 1 128.0353 -2.51
+  181.0982 C9H13N2O2- 1 181.0983 -0.44
+PK$NUM_PEAK: 8
+PK$PEAK: m/z int. rel.int.
+  99.0198 16371.3 89
+  99.0565 29088.2 158
+  110.0248 53873.3 293
+  112.0405 13535.7 73
+  119.0497 50547.4 275
+  123.0562 131347.9 716
+  128.035 183141 999
+  181.0982 18190.5 99
+//
diff --git a/Eawag/MSBNK-EAWAG-EC201601.txt b/Eawag/MSBNK-EAWAG-EC201601.txt
new file mode 100644
index 0000000000..51d08c3004
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC201601.txt
@@ -0,0 +1,46 @@
+ACCESSION: MSBNK-EAWAG-EC201601
+RECORD_TITLE: [D-Asp3,D-Glu(OMe)6]MC-HtyR (and isomers); LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.14
+AUTHORS: R. Natumi [dtc], E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1021/acs.est.1c04194
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 2016
+CH$NAME: [D-Asp3,D-Glu(OMe)6]MC-HtyR (and isomers)
+CH$NAME: [D-Asp3,D-MeO-Glu6]MC-HtyR
+CH$NAME: (5R,8S,11R,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-8-[2-(4-hydroxyphenyl)ethyl]-22-methoxycarbonyl-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,19-trimethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11-carboxylic acid
+CH$COMPOUND_CLASS: N/A
+CH$FORMULA: C53H74N10O13
+CH$EXACT_MASS: 1058.543682
+CH$SMILES: O=C(N(C)C(C(N[C@H](C)C1=O)=O)=C)CC[C@H](C(OC)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CCCNC(N)=N)NC(C[C@H](C(O)=O)NC([C@@H](N1)CCC3=CC=C(O)C=C3)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C53H74N10O13/c1-30(27-31(2)43(75-7)28-36-13-10-9-11-14-36)16-22-38-32(3)46(67)61-41(52(74)76-8)24-25-45(66)63(6)34(5)48(69)57-33(4)47(68)60-40(23-19-35-17-20-37(64)21-18-35)50(71)62-42(51(72)73)29-44(65)58-39(49(70)59-38)15-12-26-56-53(54)55/h9-11,13-14,16-18,20-22,27,31-33,38-43,64H,5,12,15,19,23-26,28-29H2,1-4,6-8H3,(H,57,69)(H,58,65)(H,59,70)(H,60,68)(H,61,67)(H,62,71)(H,72,73)(H4,54,55,56)/b22-16+,30-27+/t31-,32-,33+,38-,39-,40-,41+,42+,43-/m0/s1
+CH$LINK: CHEBI 220699
+CH$LINK: PUBCHEM CID:146684706
+CH$LINK: INCHIKEY QHVWVRZVAONQRC-IXKKHWRDSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1102
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.944 min
+MS$FOCUSED_ION: BASE_PEAK 858.4383
+MS$FOCUSED_ION: PRECURSOR_M/Z 1059.551
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0a4i-9000000000-31e0ecfad46e5ab33ea8
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  1059.5502 C53H75N10O13+ 1 1059.551 -0.76
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  1059.5502 833953.3 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC201602.txt b/Eawag/MSBNK-EAWAG-EC201602.txt
new file mode 100644
index 0000000000..cdd0a7d820
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC201602.txt
@@ -0,0 +1,46 @@
+ACCESSION: MSBNK-EAWAG-EC201602
+RECORD_TITLE: [D-Asp3,D-Glu(OMe)6]MC-HtyR (and isomers); LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.14
+AUTHORS: R. Natumi [dtc], E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1021/acs.est.1c04194
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 2016
+CH$NAME: [D-Asp3,D-Glu(OMe)6]MC-HtyR (and isomers)
+CH$NAME: [D-Asp3,D-MeO-Glu6]MC-HtyR
+CH$NAME: (5R,8S,11R,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-8-[2-(4-hydroxyphenyl)ethyl]-22-methoxycarbonyl-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,19-trimethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11-carboxylic acid
+CH$COMPOUND_CLASS: N/A
+CH$FORMULA: C53H74N10O13
+CH$EXACT_MASS: 1058.543682
+CH$SMILES: O=C(N(C)C(C(N[C@H](C)C1=O)=O)=C)CC[C@H](C(OC)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CCCNC(N)=N)NC(C[C@H](C(O)=O)NC([C@@H](N1)CCC3=CC=C(O)C=C3)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C53H74N10O13/c1-30(27-31(2)43(75-7)28-36-13-10-9-11-14-36)16-22-38-32(3)46(67)61-41(52(74)76-8)24-25-45(66)63(6)34(5)48(69)57-33(4)47(68)60-40(23-19-35-17-20-37(64)21-18-35)50(71)62-42(51(72)73)29-44(65)58-39(49(70)59-38)15-12-26-56-53(54)55/h9-11,13-14,16-18,20-22,27,31-33,38-43,64H,5,12,15,19,23-26,28-29H2,1-4,6-8H3,(H,57,69)(H,58,65)(H,59,70)(H,60,68)(H,61,67)(H,62,71)(H,72,73)(H4,54,55,56)/b22-16+,30-27+/t31-,32-,33+,38-,39-,40-,41+,42+,43-/m0/s1
+CH$LINK: CHEBI 220699
+CH$LINK: PUBCHEM CID:146684706
+CH$LINK: INCHIKEY QHVWVRZVAONQRC-IXKKHWRDSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1102
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.944 min
+MS$FOCUSED_ION: BASE_PEAK 858.4383
+MS$FOCUSED_ION: PRECURSOR_M/Z 1059.551
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0a4i-9000000000-82e110c01a196c2b5e3a
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  1059.5509 C53H75N10O13+ 1 1059.551 -0.07
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  1059.5509 596142.6 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC201603.txt b/Eawag/MSBNK-EAWAG-EC201603.txt
new file mode 100644
index 0000000000..a52b79347c
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC201603.txt
@@ -0,0 +1,46 @@
+ACCESSION: MSBNK-EAWAG-EC201603
+RECORD_TITLE: [D-Asp3,D-Glu(OMe)6]MC-HtyR (and isomers); LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.14
+AUTHORS: R. Natumi [dtc], E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1021/acs.est.1c04194
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 2016
+CH$NAME: [D-Asp3,D-Glu(OMe)6]MC-HtyR (and isomers)
+CH$NAME: [D-Asp3,D-MeO-Glu6]MC-HtyR
+CH$NAME: (5R,8S,11R,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-8-[2-(4-hydroxyphenyl)ethyl]-22-methoxycarbonyl-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,19-trimethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11-carboxylic acid
+CH$COMPOUND_CLASS: N/A
+CH$FORMULA: C53H74N10O13
+CH$EXACT_MASS: 1058.543682
+CH$SMILES: O=C(N(C)C(C(N[C@H](C)C1=O)=O)=C)CC[C@H](C(OC)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CCCNC(N)=N)NC(C[C@H](C(O)=O)NC([C@@H](N1)CCC3=CC=C(O)C=C3)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C53H74N10O13/c1-30(27-31(2)43(75-7)28-36-13-10-9-11-14-36)16-22-38-32(3)46(67)61-41(52(74)76-8)24-25-45(66)63(6)34(5)48(69)57-33(4)47(68)60-40(23-19-35-17-20-37(64)21-18-35)50(71)62-42(51(72)73)29-44(65)58-39(49(70)59-38)15-12-26-56-53(54)55/h9-11,13-14,16-18,20-22,27,31-33,38-43,64H,5,12,15,19,23-26,28-29H2,1-4,6-8H3,(H,57,69)(H,58,65)(H,59,70)(H,60,68)(H,61,67)(H,62,71)(H,72,73)(H4,54,55,56)/b22-16+,30-27+/t31-,32-,33+,38-,39-,40-,41+,42+,43-/m0/s1
+CH$LINK: CHEBI 220699
+CH$LINK: PUBCHEM CID:146684706
+CH$LINK: INCHIKEY QHVWVRZVAONQRC-IXKKHWRDSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1102
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.944 min
+MS$FOCUSED_ION: BASE_PEAK 858.4383
+MS$FOCUSED_ION: PRECURSOR_M/Z 1059.551
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0a4i-9000000000-97a9a07cae361aaa0fd6
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  1059.5497 C53H75N10O13+ 1 1059.551 -1.22
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  1059.5497 333116.6 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC201605.txt b/Eawag/MSBNK-EAWAG-EC201605.txt
new file mode 100644
index 0000000000..2a3e1bab99
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC201605.txt
@@ -0,0 +1,96 @@
+ACCESSION: MSBNK-EAWAG-EC201605
+RECORD_TITLE: [D-Asp3,D-Glu(OMe)6]MC-HtyR (and isomers); LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.14
+AUTHORS: R. Natumi [dtc], E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1021/acs.est.1c04194
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 2016
+CH$NAME: [D-Asp3,D-Glu(OMe)6]MC-HtyR (and isomers)
+CH$NAME: [D-Asp3,D-MeO-Glu6]MC-HtyR
+CH$NAME: (5R,8S,11R,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-8-[2-(4-hydroxyphenyl)ethyl]-22-methoxycarbonyl-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,19-trimethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11-carboxylic acid
+CH$COMPOUND_CLASS: N/A
+CH$FORMULA: C53H74N10O13
+CH$EXACT_MASS: 1058.543682
+CH$SMILES: O=C(N(C)C(C(N[C@H](C)C1=O)=O)=C)CC[C@H](C(OC)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CCCNC(N)=N)NC(C[C@H](C(O)=O)NC([C@@H](N1)CCC3=CC=C(O)C=C3)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C53H74N10O13/c1-30(27-31(2)43(75-7)28-36-13-10-9-11-14-36)16-22-38-32(3)46(67)61-41(52(74)76-8)24-25-45(66)63(6)34(5)48(69)57-33(4)47(68)60-40(23-19-35-17-20-37(64)21-18-35)50(71)62-42(51(72)73)29-44(65)58-39(49(70)59-38)15-12-26-56-53(54)55/h9-11,13-14,16-18,20-22,27,31-33,38-43,64H,5,12,15,19,23-26,28-29H2,1-4,6-8H3,(H,57,69)(H,58,65)(H,59,70)(H,60,68)(H,61,67)(H,62,71)(H,72,73)(H4,54,55,56)/b22-16+,30-27+/t31-,32-,33+,38-,39-,40-,41+,42+,43-/m0/s1
+CH$LINK: CHEBI 220699
+CH$LINK: PUBCHEM CID:146684706
+CH$LINK: INCHIKEY QHVWVRZVAONQRC-IXKKHWRDSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1102
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.944 min
+MS$FOCUSED_ION: BASE_PEAK 858.4383
+MS$FOCUSED_ION: PRECURSOR_M/Z 1059.551
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-06ri-1920000000-7bb35610e2f392972631
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  56.0495 C3H6N+ 1 56.0495 1.25
+  70.065 C4H8N+ 1 70.0651 -1.51
+  84.0443 C4H6NO+ 1 84.0444 -1.21
+  105.0698 C8H9+ 1 105.0699 -1.03
+  107.0853 C8H11+ 1 107.0855 -1.9
+  112.0868 C5H10N3+ 1 112.0869 -1.33
+  115.0862 C5H11N2O+ 1 115.0866 -3.01
+  127.0864 C6H11N2O+ 1 127.0866 -1.84
+  135.0802 C9H11O+ 1 135.0804 -1.94
+  135.1163 C10H15+ 1 135.1168 -3.7
+  138.0552 C7H8NO2+ 1 138.055 1.8
+  140.0822 C6H10N3O+ 1 140.0818 2.62
+  150.091 C9H12NO+ 1 150.0913 -2.38
+  155.0809 C7H11N2O2+ 1 155.0815 -3.65
+  156.1244 C6H14N5+ 1 156.1244 0.43
+  158.0928 C6H12N3O2+ 1 158.0924 2.45
+  163.1114 C11H15O+ 1 163.1117 -2.38
+  174.1346 C6H16N5O+ 1 174.1349 -2.17
+  200.1134 C6H18NO6+ 3 200.1129 2.9
+  201.0986 C7H13N4O3+ 2 201.0982 1.94
+  213.0864 C9H13N2O4+ 2 213.087 -2.81
+  226.1181 C10H16N3O3+ 2 226.1186 -2.19
+  239.0661 C9H5N9+ 2 239.0662 -0.53
+  246.1489 H26N2O12+ 3 246.148 3.39
+  269.1229 C9H15N7O3+ 4 269.1231 -0.63
+  285.1657 C11H21N6O3+ 4 285.167 -4.59
+PK$NUM_PEAK: 26
+PK$PEAK: m/z int. rel.int.
+  56.0495 28653.9 59
+  70.065 161485.1 335
+  84.0443 46208.2 96
+  105.0698 37340.2 77
+  107.0853 185492.9 385
+  112.0868 110966 230
+  115.0862 50793.2 105
+  127.0864 145187.8 301
+  135.0802 480287.9 999
+  135.1163 190520 396
+  138.0552 18854.2 39
+  140.0822 28596.2 59
+  150.091 220248.3 458
+  155.0809 187357.2 389
+  156.1244 31074.1 64
+  158.0928 21966.5 45
+  163.1114 143203.2 297
+  174.1346 104887.2 218
+  200.1134 101538.5 211
+  201.0986 27918.6 58
+  213.0864 227820.9 473
+  226.1181 33965.9 70
+  239.0661 35036.1 72
+  246.1489 31202.6 64
+  269.1229 56332.8 117
+  285.1657 56797.6 118
+//
diff --git a/Eawag/MSBNK-EAWAG-EC201606.txt b/Eawag/MSBNK-EAWAG-EC201606.txt
new file mode 100644
index 0000000000..7a0527e963
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC201606.txt
@@ -0,0 +1,106 @@
+ACCESSION: MSBNK-EAWAG-EC201606
+RECORD_TITLE: [D-Asp3,D-Glu(OMe)6]MC-HtyR (and isomers); LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.14
+AUTHORS: R. Natumi [dtc], E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1021/acs.est.1c04194
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 2016
+CH$NAME: [D-Asp3,D-Glu(OMe)6]MC-HtyR (and isomers)
+CH$NAME: [D-Asp3,D-MeO-Glu6]MC-HtyR
+CH$NAME: (5R,8S,11R,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-8-[2-(4-hydroxyphenyl)ethyl]-22-methoxycarbonyl-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,19-trimethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11-carboxylic acid
+CH$COMPOUND_CLASS: N/A
+CH$FORMULA: C53H74N10O13
+CH$EXACT_MASS: 1058.543682
+CH$SMILES: O=C(N(C)C(C(N[C@H](C)C1=O)=O)=C)CC[C@H](C(OC)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CCCNC(N)=N)NC(C[C@H](C(O)=O)NC([C@@H](N1)CCC3=CC=C(O)C=C3)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C53H74N10O13/c1-30(27-31(2)43(75-7)28-36-13-10-9-11-14-36)16-22-38-32(3)46(67)61-41(52(74)76-8)24-25-45(66)63(6)34(5)48(69)57-33(4)47(68)60-40(23-19-35-17-20-37(64)21-18-35)50(71)62-42(51(72)73)29-44(65)58-39(49(70)59-38)15-12-26-56-53(54)55/h9-11,13-14,16-18,20-22,27,31-33,38-43,64H,5,12,15,19,23-26,28-29H2,1-4,6-8H3,(H,57,69)(H,58,65)(H,59,70)(H,60,68)(H,61,67)(H,62,71)(H,72,73)(H4,54,55,56)/b22-16+,30-27+/t31-,32-,33+,38-,39-,40-,41+,42+,43-/m0/s1
+CH$LINK: CHEBI 220699
+CH$LINK: PUBCHEM CID:146684706
+CH$LINK: INCHIKEY QHVWVRZVAONQRC-IXKKHWRDSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1102
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.944 min
+MS$FOCUSED_ION: BASE_PEAK 858.4383
+MS$FOCUSED_ION: PRECURSOR_M/Z 1059.551
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-052r-1910000000-bf241e6ace0a00b57959
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  56.0494 C3H6N+ 1 56.0495 -1.41
+  70.0651 C4H8N+ 1 70.0651 -0.97
+  84.0443 C4H6NO+ 1 84.0444 -0.66
+  93.07 C7H9+ 1 93.0699 0.95
+  103.0541 C8H7+ 1 103.0542 -0.78
+  105.0697 C8H9+ 1 105.0699 -1.9
+  107.0492 C7H7O+ 1 107.0491 0.17
+  107.0854 C8H11+ 1 107.0855 -1.26
+  112.0867 C5H10N3+ 1 112.0869 -1.94
+  114.1023 C5H12N3+ 1 114.1026 -2.02
+  115.0865 C5H11N2O+ 1 115.0866 -0.89
+  117.0697 C9H9+ 1 117.0699 -1.48
+  127.0864 C6H11N2O+ 1 127.0866 -1.24
+  130.0496 C5H8NO3+ 1 130.0499 -2.24
+  131.0856 C10H11+ 1 131.0855 0.44
+  133.065 C9H9O+ 1 133.0648 1.73
+  135.0802 C9H11O+ 1 135.0804 -1.71
+  135.1164 C10H15+ 1 135.1168 -3.47
+  140.0816 C6H10N3O+ 1 140.0818 -1.73
+  141.0654 C6H9N2O2+ 1 141.0659 -2.87
+  150.091 C9H12NO+ 1 150.0913 -2.18
+  155.0811 C7H11N2O2+ 1 155.0815 -2.86
+  157.1083 C6H13N4O+ 1 157.1084 -0.4
+  163.1116 C11H15O+ 1 163.1117 -0.79
+  167.0814 C8H11N2O2+ 1 167.0815 -0.86
+  174.1345 C6H16N5O+ 1 174.1349 -2.43
+  183.0873 C7H11N4O2+ 1 183.0877 -1.81
+  200.1138 C6H18NO6+ 3 200.1129 4.58
+  201.0984 C7H13N4O3+ 1 201.0982 1.11
+  213.0865 C9H13N2O4+ 2 213.087 -2.31
+  226.1184 C10H16N3O3+ 1 226.1186 -0.91
+PK$NUM_PEAK: 31
+PK$PEAK: m/z int. rel.int.
+  56.0494 58492.3 81
+  70.0651 341343.9 475
+  84.0443 111948.6 155
+  93.07 78188.8 108
+  103.0541 107496.4 149
+  105.0697 130482 181
+  107.0492 151584.8 211
+  107.0854 355536.7 495
+  112.0867 155386.6 216
+  114.1023 15120.4 21
+  115.0865 83353.6 116
+  117.0697 76403.5 106
+  127.0864 337867.3 470
+  130.0496 21774.3 30
+  131.0856 18148 25
+  133.065 18614.4 25
+  135.0802 717536 999
+  135.1164 247324.8 344
+  140.0816 32282 44
+  141.0654 45954.6 63
+  150.091 181446.6 252
+  155.0811 141971.3 197
+  157.1083 67885.1 94
+  163.1116 92096.4 128
+  167.0814 45551.9 63
+  174.1345 46839.4 65
+  183.0873 26221.8 36
+  200.1138 99924.8 139
+  201.0984 26465.3 36
+  213.0865 207507.7 288
+  226.1184 35201.7 49
+//
diff --git a/Eawag/MSBNK-EAWAG-EC201607.txt b/Eawag/MSBNK-EAWAG-EC201607.txt
new file mode 100644
index 0000000000..45f97cab29
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC201607.txt
@@ -0,0 +1,108 @@
+ACCESSION: MSBNK-EAWAG-EC201607
+RECORD_TITLE: [D-Asp3,D-Glu(OMe)6]MC-HtyR (and isomers); LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.14
+AUTHORS: R. Natumi [dtc], E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1021/acs.est.1c04194
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 2016
+CH$NAME: [D-Asp3,D-Glu(OMe)6]MC-HtyR (and isomers)
+CH$NAME: [D-Asp3,D-MeO-Glu6]MC-HtyR
+CH$NAME: (5R,8S,11R,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-8-[2-(4-hydroxyphenyl)ethyl]-22-methoxycarbonyl-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,19-trimethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11-carboxylic acid
+CH$COMPOUND_CLASS: N/A
+CH$FORMULA: C53H74N10O13
+CH$EXACT_MASS: 1058.543682
+CH$SMILES: O=C(N(C)C(C(N[C@H](C)C1=O)=O)=C)CC[C@H](C(OC)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CCCNC(N)=N)NC(C[C@H](C(O)=O)NC([C@@H](N1)CCC3=CC=C(O)C=C3)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C53H74N10O13/c1-30(27-31(2)43(75-7)28-36-13-10-9-11-14-36)16-22-38-32(3)46(67)61-41(52(74)76-8)24-25-45(66)63(6)34(5)48(69)57-33(4)47(68)60-40(23-19-35-17-20-37(64)21-18-35)50(71)62-42(51(72)73)29-44(65)58-39(49(70)59-38)15-12-26-56-53(54)55/h9-11,13-14,16-18,20-22,27,31-33,38-43,64H,5,12,15,19,23-26,28-29H2,1-4,6-8H3,(H,57,69)(H,58,65)(H,59,70)(H,60,68)(H,61,67)(H,62,71)(H,72,73)(H4,54,55,56)/b22-16+,30-27+/t31-,32-,33+,38-,39-,40-,41+,42+,43-/m0/s1
+CH$LINK: CHEBI 220699
+CH$LINK: PUBCHEM CID:146684706
+CH$LINK: INCHIKEY QHVWVRZVAONQRC-IXKKHWRDSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1102
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.944 min
+MS$FOCUSED_ION: BASE_PEAK 858.4383
+MS$FOCUSED_ION: PRECURSOR_M/Z 1059.551
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0abi-3900000000-2041326c3f778f32b79f
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  56.0494 C3H6N+ 1 56.0495 -1.81
+  60.0556 CH6N3+ 1 60.0556 -0.02
+  70.065 C4H8N+ 1 70.0651 -1.51
+  79.0544 C6H7+ 1 79.0542 1.84
+  84.0443 C4H6NO+ 1 84.0444 -1.12
+  91.0541 C7H7+ 1 91.0542 -1.62
+  93.0698 C7H9+ 1 93.0699 -1.1
+  97.0759 C5H9N2+ 1 97.076 -0.86
+  98.0599 C5H8NO+ 1 98.06 -1.47
+  103.0541 C8H7+ 1 103.0542 -1.07
+  105.0698 C8H9+ 1 105.0699 -1.17
+  107.0491 C7H7O+ 1 107.0491 -0.54
+  107.0854 C8H11+ 1 107.0855 -1.19
+  112.0867 C5H10N3+ 1 112.0869 -1.74
+  113.0709 C5H9N2O+ 1 113.0709 -0.45
+  115.0543 C9H7+ 1 115.0542 1.02
+  115.0865 C5H11N2O+ 1 115.0866 -1.02
+  117.0696 C9H9+ 1 117.0699 -2.58
+  127.0864 C6H11N2O+ 1 127.0866 -1.54
+  130.0499 C5H8NO3+ 1 130.0499 0.22
+  135.0802 C9H11O+ 1 135.0804 -1.94
+  135.1164 C10H15+ 1 135.1168 -3.13
+  138.0551 C7H8NO2+ 1 138.055 0.92
+  140.0823 C6H10N3O+ 1 140.0818 3.17
+  141.0655 C6H9N2O2+ 1 141.0659 -2.76
+  150.0911 C9H12NO+ 1 150.0913 -1.77
+  155.0811 C7H11N2O2+ 1 155.0815 -2.67
+  157.1083 C6H13N4O+ 1 157.1084 -0.5
+  158.0924 C6H12N3O2+ 1 158.0924 0.23
+  163.1114 C11H15O+ 1 163.1117 -2.01
+  167.0814 C8H11N2O2+ 1 167.0815 -0.86
+  213.0864 C9H13N2O4+ 2 213.087 -2.81
+PK$NUM_PEAK: 32
+PK$PEAK: m/z int. rel.int.
+  56.0494 115161.1 216
+  60.0556 33697.4 63
+  70.065 530678.6 999
+  79.0544 32084.7 60
+  84.0443 128856.3 242
+  91.0541 103676.6 195
+  93.0698 100660.5 189
+  97.0759 36034.8 67
+  98.0599 37728.4 71
+  103.0541 273349.2 514
+  105.0698 259540.8 488
+  107.0491 264507.2 497
+  107.0854 436923.8 822
+  112.0867 129809.4 244
+  113.0709 24622.4 46
+  115.0543 35695.4 67
+  115.0865 96773.9 182
+  117.0696 116340.2 219
+  127.0864 386853.8 728
+  130.0499 26036.5 49
+  135.0802 524936.1 988
+  135.1164 180377.1 339
+  138.0551 35580.9 66
+  140.0823 29308.7 55
+  141.0655 70944.5 133
+  150.0911 68743.3 129
+  155.0811 79847.4 150
+  157.1083 48779.3 91
+  158.0924 18924.2 35
+  163.1114 37054.5 69
+  167.0814 76559 144
+  213.0864 104184.7 196
+//
diff --git a/Eawag/MSBNK-EAWAG-EC201608.txt b/Eawag/MSBNK-EAWAG-EC201608.txt
new file mode 100644
index 0000000000..3e918e18d7
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC201608.txt
@@ -0,0 +1,92 @@
+ACCESSION: MSBNK-EAWAG-EC201608
+RECORD_TITLE: [D-Asp3,D-Glu(OMe)6]MC-HtyR (and isomers); LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.14
+AUTHORS: R. Natumi [dtc], E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1021/acs.est.1c04194
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 2016
+CH$NAME: [D-Asp3,D-Glu(OMe)6]MC-HtyR (and isomers)
+CH$NAME: [D-Asp3,D-MeO-Glu6]MC-HtyR
+CH$NAME: (5R,8S,11R,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-8-[2-(4-hydroxyphenyl)ethyl]-22-methoxycarbonyl-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,19-trimethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11-carboxylic acid
+CH$COMPOUND_CLASS: N/A
+CH$FORMULA: C53H74N10O13
+CH$EXACT_MASS: 1058.543682
+CH$SMILES: O=C(N(C)C(C(N[C@H](C)C1=O)=O)=C)CC[C@H](C(OC)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CCCNC(N)=N)NC(C[C@H](C(O)=O)NC([C@@H](N1)CCC3=CC=C(O)C=C3)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C53H74N10O13/c1-30(27-31(2)43(75-7)28-36-13-10-9-11-14-36)16-22-38-32(3)46(67)61-41(52(74)76-8)24-25-45(66)63(6)34(5)48(69)57-33(4)47(68)60-40(23-19-35-17-20-37(64)21-18-35)50(71)62-42(51(72)73)29-44(65)58-39(49(70)59-38)15-12-26-56-53(54)55/h9-11,13-14,16-18,20-22,27,31-33,38-43,64H,5,12,15,19,23-26,28-29H2,1-4,6-8H3,(H,57,69)(H,58,65)(H,59,70)(H,60,68)(H,61,67)(H,62,71)(H,72,73)(H4,54,55,56)/b22-16+,30-27+/t31-,32-,33+,38-,39-,40-,41+,42+,43-/m0/s1
+CH$LINK: CHEBI 220699
+CH$LINK: PUBCHEM CID:146684706
+CH$LINK: INCHIKEY QHVWVRZVAONQRC-IXKKHWRDSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1102
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.944 min
+MS$FOCUSED_ION: BASE_PEAK 858.4383
+MS$FOCUSED_ION: PRECURSOR_M/Z 1059.551
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0ab9-5900000000-65180fbaf4b1b4dd6412
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  56.0493 C3H6N+ 1 56.0495 -2.29
+  60.0557 CH6N3+ 1 60.0556 1.06
+  70.065 C4H8N+ 1 70.0651 -1.41
+  79.0542 C6H7+ 1 79.0542 -0.86
+  82.0653 C5H8N+ 1 82.0651 2.69
+  84.0442 C4H6NO+ 1 84.0444 -1.75
+  91.0541 C7H7+ 1 91.0542 -1.37
+  93.0697 C7H9+ 1 93.0699 -1.67
+  95.049 C6H7O+ 1 95.0491 -1.32
+  97.0761 C5H9N2+ 1 97.076 0.39
+  98.06 C5H8NO+ 1 98.06 -0.14
+  99.0918 C5H11N2+ 1 99.0917 1.21
+  103.054 C8H7+ 1 103.0542 -1.89
+  105.0697 C8H9+ 1 105.0699 -1.61
+  107.049 C7H7O+ 1 107.0491 -1.75
+  107.0853 C8H11+ 1 107.0855 -2.19
+  112.0869 C5H10N3+ 1 112.0869 -0.51
+  115.0538 C9H7+ 1 115.0542 -3.55
+  117.0696 C9H9+ 1 117.0699 -2.06
+  127.0863 C6H11N2O+ 1 127.0866 -1.9
+  135.0802 C9H11O+ 1 135.0804 -1.94
+  135.1167 C10H15+ 1 135.1168 -1.21
+  149.0713 C8H9N2O+ 1 149.0709 2.52
+  213.0867 C9H13N2O4+ 2 213.087 -1.52
+PK$NUM_PEAK: 24
+PK$PEAK: m/z int. rel.int.
+  56.0493 153227 290
+  60.0557 18926.9 35
+  70.065 527608.9 999
+  79.0542 49348.3 93
+  82.0653 37746.8 71
+  84.0442 133285.9 252
+  91.0541 129641.3 245
+  93.0697 99209.6 187
+  95.049 26467.4 50
+  97.0761 38586.4 73
+  98.06 44136.5 83
+  99.0918 36041.8 68
+  103.054 453466.7 858
+  105.0697 309085.2 585
+  107.049 274551.9 519
+  107.0853 317613.2 601
+  112.0869 102091.7 193
+  115.0538 38235.6 72
+  117.0696 125349.5 237
+  127.0863 311710.6 590
+  135.0802 253790.6 480
+  135.1167 68843.4 130
+  149.0713 10454.5 19
+  213.0867 35208.4 66
+//
diff --git a/Eawag/MSBNK-EAWAG-EC201609.txt b/Eawag/MSBNK-EAWAG-EC201609.txt
new file mode 100644
index 0000000000..062d9cac96
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC201609.txt
@@ -0,0 +1,86 @@
+ACCESSION: MSBNK-EAWAG-EC201609
+RECORD_TITLE: [D-Asp3,D-Glu(OMe)6]MC-HtyR (and isomers); LC-ESI-QFT; MS2; CE: 80%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.14
+AUTHORS: R. Natumi [dtc], E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1021/acs.est.1c04194
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 2016
+CH$NAME: [D-Asp3,D-Glu(OMe)6]MC-HtyR (and isomers)
+CH$NAME: [D-Asp3,D-MeO-Glu6]MC-HtyR
+CH$NAME: (5R,8S,11R,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-8-[2-(4-hydroxyphenyl)ethyl]-22-methoxycarbonyl-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,19-trimethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11-carboxylic acid
+CH$COMPOUND_CLASS: N/A
+CH$FORMULA: C53H74N10O13
+CH$EXACT_MASS: 1058.543682
+CH$SMILES: O=C(N(C)C(C(N[C@H](C)C1=O)=O)=C)CC[C@H](C(OC)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CCCNC(N)=N)NC(C[C@H](C(O)=O)NC([C@@H](N1)CCC3=CC=C(O)C=C3)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C53H74N10O13/c1-30(27-31(2)43(75-7)28-36-13-10-9-11-14-36)16-22-38-32(3)46(67)61-41(52(74)76-8)24-25-45(66)63(6)34(5)48(69)57-33(4)47(68)60-40(23-19-35-17-20-37(64)21-18-35)50(71)62-42(51(72)73)29-44(65)58-39(49(70)59-38)15-12-26-56-53(54)55/h9-11,13-14,16-18,20-22,27,31-33,38-43,64H,5,12,15,19,23-26,28-29H2,1-4,6-8H3,(H,57,69)(H,58,65)(H,59,70)(H,60,68)(H,61,67)(H,62,71)(H,72,73)(H4,54,55,56)/b22-16+,30-27+/t31-,32-,33+,38-,39-,40-,41+,42+,43-/m0/s1
+CH$LINK: CHEBI 220699
+CH$LINK: PUBCHEM CID:146684706
+CH$LINK: INCHIKEY QHVWVRZVAONQRC-IXKKHWRDSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1102
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.944 min
+MS$FOCUSED_ION: BASE_PEAK 858.4383
+MS$FOCUSED_ION: PRECURSOR_M/Z 1059.551
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0pi0-7900000000-8afd2e88bda37a9aaef7
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  56.0494 C3H6N+ 1 56.0495 -1.13
+  60.0558 CH6N3+ 1 60.0556 3.03
+  70.0651 C4H8N+ 1 70.0651 -1.08
+  77.0387 C6H5+ 1 77.0386 1.92
+  79.0541 C6H7+ 1 79.0542 -1.53
+  82.0652 C5H8N+ 1 82.0651 1.39
+  84.0442 C4H6NO+ 1 84.0444 -1.84
+  91.0541 C7H7+ 1 91.0542 -1.12
+  93.0696 C7H9+ 1 93.0699 -2.74
+  95.049 C6H7O+ 1 95.0491 -1.24
+  97.0762 C5H9N2+ 1 97.076 1.97
+  98.06 C5H8NO+ 1 98.06 -0.84
+  99.0917 C5H11N2+ 1 99.0917 -0.18
+  103.0541 C8H7+ 1 103.0542 -1.15
+  105.0698 C8H9+ 1 105.0699 -1.03
+  107.049 C7H7O+ 1 107.0491 -1.39
+  107.0854 C8H11+ 1 107.0855 -1.19
+  115.054 C9H7+ 1 115.0542 -2.03
+  117.0697 C9H9+ 1 117.0699 -1.15
+  127.0865 C6H11N2O+ 1 127.0866 -0.94
+  135.0802 C9H11O+ 1 135.0804 -1.71
+PK$NUM_PEAK: 21
+PK$PEAK: m/z int. rel.int.
+  56.0494 228068.2 352
+  60.0558 22276.8 34
+  70.0651 550496.1 851
+  77.0387 29141 45
+  79.0541 82644.3 127
+  82.0652 36416.8 56
+  84.0442 139715 216
+  91.0541 200626.3 310
+  93.0696 88688.1 137
+  95.049 70341.8 108
+  97.0762 32476.1 50
+  98.06 64157.1 99
+  99.0917 38001.6 58
+  103.0541 645827.3 999
+  105.0698 315183.2 487
+  107.049 300288.1 464
+  107.0854 234081.1 362
+  115.054 69519.7 107
+  117.0697 95842.7 148
+  127.0865 188244.2 291
+  135.0802 108912 168
+//
diff --git a/Eawag/MSBNK-EAWAG-EC201651.txt b/Eawag/MSBNK-EAWAG-EC201651.txt
new file mode 100644
index 0000000000..ab8ef17e56
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC201651.txt
@@ -0,0 +1,46 @@
+ACCESSION: MSBNK-EAWAG-EC201651
+RECORD_TITLE: [D-Asp3,D-Glu(OMe)6]MC-HtyR (and isomers); LC-ESI-QFT; MS2; CE: 15%; R=15000; [M-H]-; First mass: 40
+DATE: 2025.02.14
+AUTHORS: R. Natumi [dtc], E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1021/acs.est.1c04194
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 2016
+CH$NAME: [D-Asp3,D-Glu(OMe)6]MC-HtyR (and isomers)
+CH$NAME: [D-Asp3,D-MeO-Glu6]MC-HtyR
+CH$NAME: (5R,8S,11R,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-8-[2-(4-hydroxyphenyl)ethyl]-22-methoxycarbonyl-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,19-trimethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11-carboxylic acid
+CH$COMPOUND_CLASS: N/A
+CH$FORMULA: C53H74N10O13
+CH$EXACT_MASS: 1058.543682
+CH$SMILES: O=C(N(C)C(C(N[C@H](C)C1=O)=O)=C)CC[C@H](C(OC)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CCCNC(N)=N)NC(C[C@H](C(O)=O)NC([C@@H](N1)CCC3=CC=C(O)C=C3)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C53H74N10O13/c1-30(27-31(2)43(75-7)28-36-13-10-9-11-14-36)16-22-38-32(3)46(67)61-41(52(74)76-8)24-25-45(66)63(6)34(5)48(69)57-33(4)47(68)60-40(23-19-35-17-20-37(64)21-18-35)50(71)62-42(51(72)73)29-44(65)58-39(49(70)59-38)15-12-26-56-53(54)55/h9-11,13-14,16-18,20-22,27,31-33,38-43,64H,5,12,15,19,23-26,28-29H2,1-4,6-8H3,(H,57,69)(H,58,65)(H,59,70)(H,60,68)(H,61,67)(H,62,71)(H,72,73)(H4,54,55,56)/b22-16+,30-27+/t31-,32-,33+,38-,39-,40-,41+,42+,43-/m0/s1
+CH$LINK: CHEBI 220699
+CH$LINK: PUBCHEM CID:146684706
+CH$LINK: INCHIKEY QHVWVRZVAONQRC-IXKKHWRDSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1100
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.957 min
+MS$FOCUSED_ION: BASE_PEAK 856.4255
+MS$FOCUSED_ION: PRECURSOR_M/Z 1057.5364
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0a4i-9000000000-df31c7cde6c97e55d2c0
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  1057.5366 C53H73N10O13- 1 1057.5364 0.15
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  1057.5366 562649.4 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC201652.txt b/Eawag/MSBNK-EAWAG-EC201652.txt
new file mode 100644
index 0000000000..c1de1eeea5
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC201652.txt
@@ -0,0 +1,46 @@
+ACCESSION: MSBNK-EAWAG-EC201652
+RECORD_TITLE: [D-Asp3,D-Glu(OMe)6]MC-HtyR (and isomers); LC-ESI-QFT; MS2; CE: 20%; R=15000; [M-H]-; First mass: 40
+DATE: 2025.02.14
+AUTHORS: R. Natumi [dtc], E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1021/acs.est.1c04194
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 2016
+CH$NAME: [D-Asp3,D-Glu(OMe)6]MC-HtyR (and isomers)
+CH$NAME: [D-Asp3,D-MeO-Glu6]MC-HtyR
+CH$NAME: (5R,8S,11R,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-8-[2-(4-hydroxyphenyl)ethyl]-22-methoxycarbonyl-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,19-trimethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11-carboxylic acid
+CH$COMPOUND_CLASS: N/A
+CH$FORMULA: C53H74N10O13
+CH$EXACT_MASS: 1058.543682
+CH$SMILES: O=C(N(C)C(C(N[C@H](C)C1=O)=O)=C)CC[C@H](C(OC)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CCCNC(N)=N)NC(C[C@H](C(O)=O)NC([C@@H](N1)CCC3=CC=C(O)C=C3)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C53H74N10O13/c1-30(27-31(2)43(75-7)28-36-13-10-9-11-14-36)16-22-38-32(3)46(67)61-41(52(74)76-8)24-25-45(66)63(6)34(5)48(69)57-33(4)47(68)60-40(23-19-35-17-20-37(64)21-18-35)50(71)62-42(51(72)73)29-44(65)58-39(49(70)59-38)15-12-26-56-53(54)55/h9-11,13-14,16-18,20-22,27,31-33,38-43,64H,5,12,15,19,23-26,28-29H2,1-4,6-8H3,(H,57,69)(H,58,65)(H,59,70)(H,60,68)(H,61,67)(H,62,71)(H,72,73)(H4,54,55,56)/b22-16+,30-27+/t31-,32-,33+,38-,39-,40-,41+,42+,43-/m0/s1
+CH$LINK: CHEBI 220699
+CH$LINK: PUBCHEM CID:146684706
+CH$LINK: INCHIKEY QHVWVRZVAONQRC-IXKKHWRDSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1100
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.957 min
+MS$FOCUSED_ION: BASE_PEAK 856.4255
+MS$FOCUSED_ION: PRECURSOR_M/Z 1057.5364
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0a4i-9000000000-556b1a3c9d54dbd7b38a
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  1057.5374 C53H73N10O13- 1 1057.5364 0.96
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  1057.5374 561278.4 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC201653.txt b/Eawag/MSBNK-EAWAG-EC201653.txt
new file mode 100644
index 0000000000..0a7427595f
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC201653.txt
@@ -0,0 +1,48 @@
+ACCESSION: MSBNK-EAWAG-EC201653
+RECORD_TITLE: [D-Asp3,D-Glu(OMe)6]MC-HtyR (and isomers); LC-ESI-QFT; MS2; CE: 25%; R=15000; [M-H]-; First mass: 40
+DATE: 2025.02.14
+AUTHORS: R. Natumi [dtc], E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1021/acs.est.1c04194
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 2016
+CH$NAME: [D-Asp3,D-Glu(OMe)6]MC-HtyR (and isomers)
+CH$NAME: [D-Asp3,D-MeO-Glu6]MC-HtyR
+CH$NAME: (5R,8S,11R,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-8-[2-(4-hydroxyphenyl)ethyl]-22-methoxycarbonyl-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,19-trimethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11-carboxylic acid
+CH$COMPOUND_CLASS: N/A
+CH$FORMULA: C53H74N10O13
+CH$EXACT_MASS: 1058.543682
+CH$SMILES: O=C(N(C)C(C(N[C@H](C)C1=O)=O)=C)CC[C@H](C(OC)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CCCNC(N)=N)NC(C[C@H](C(O)=O)NC([C@@H](N1)CCC3=CC=C(O)C=C3)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C53H74N10O13/c1-30(27-31(2)43(75-7)28-36-13-10-9-11-14-36)16-22-38-32(3)46(67)61-41(52(74)76-8)24-25-45(66)63(6)34(5)48(69)57-33(4)47(68)60-40(23-19-35-17-20-37(64)21-18-35)50(71)62-42(51(72)73)29-44(65)58-39(49(70)59-38)15-12-26-56-53(54)55/h9-11,13-14,16-18,20-22,27,31-33,38-43,64H,5,12,15,19,23-26,28-29H2,1-4,6-8H3,(H,57,69)(H,58,65)(H,59,70)(H,60,68)(H,61,67)(H,62,71)(H,72,73)(H4,54,55,56)/b22-16+,30-27+/t31-,32-,33+,38-,39-,40-,41+,42+,43-/m0/s1
+CH$LINK: CHEBI 220699
+CH$LINK: PUBCHEM CID:146684706
+CH$LINK: INCHIKEY QHVWVRZVAONQRC-IXKKHWRDSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1100
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.957 min
+MS$FOCUSED_ION: BASE_PEAK 856.4255
+MS$FOCUSED_ION: PRECURSOR_M/Z 1057.5364
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0a4r-9000000000-422cc4614079a161e31b
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  1039.5271 C53H71N10O12- 1 1039.5258 1.25
+  1057.5371 C53H73N10O13- 1 1057.5364 0.62
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  1039.5271 172705 877
+  1057.5371 196632.2 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC201654.txt b/Eawag/MSBNK-EAWAG-EC201654.txt
new file mode 100644
index 0000000000..be4cb1c5d2
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC201654.txt
@@ -0,0 +1,48 @@
+ACCESSION: MSBNK-EAWAG-EC201654
+RECORD_TITLE: [D-Asp3,D-Glu(OMe)6]MC-HtyR (and isomers); LC-ESI-QFT; MS2; CE: 30%; R=15000; [M-H]-; First mass: 40
+DATE: 2025.02.14
+AUTHORS: R. Natumi [dtc], E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1021/acs.est.1c04194
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 2016
+CH$NAME: [D-Asp3,D-Glu(OMe)6]MC-HtyR (and isomers)
+CH$NAME: [D-Asp3,D-MeO-Glu6]MC-HtyR
+CH$NAME: (5R,8S,11R,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-8-[2-(4-hydroxyphenyl)ethyl]-22-methoxycarbonyl-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,19-trimethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11-carboxylic acid
+CH$COMPOUND_CLASS: N/A
+CH$FORMULA: C53H74N10O13
+CH$EXACT_MASS: 1058.543682
+CH$SMILES: O=C(N(C)C(C(N[C@H](C)C1=O)=O)=C)CC[C@H](C(OC)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CCCNC(N)=N)NC(C[C@H](C(O)=O)NC([C@@H](N1)CCC3=CC=C(O)C=C3)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C53H74N10O13/c1-30(27-31(2)43(75-7)28-36-13-10-9-11-14-36)16-22-38-32(3)46(67)61-41(52(74)76-8)24-25-45(66)63(6)34(5)48(69)57-33(4)47(68)60-40(23-19-35-17-20-37(64)21-18-35)50(71)62-42(51(72)73)29-44(65)58-39(49(70)59-38)15-12-26-56-53(54)55/h9-11,13-14,16-18,20-22,27,31-33,38-43,64H,5,12,15,19,23-26,28-29H2,1-4,6-8H3,(H,57,69)(H,58,65)(H,59,70)(H,60,68)(H,61,67)(H,62,71)(H,72,73)(H4,54,55,56)/b22-16+,30-27+/t31-,32-,33+,38-,39-,40-,41+,42+,43-/m0/s1
+CH$LINK: CHEBI 220699
+CH$LINK: PUBCHEM CID:146684706
+CH$LINK: INCHIKEY QHVWVRZVAONQRC-IXKKHWRDSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1100
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.957 min
+MS$FOCUSED_ION: BASE_PEAK 856.4255
+MS$FOCUSED_ION: PRECURSOR_M/Z 1057.5364
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-002r-9500000000-680993524e95349f6072
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  128.0352 C5H6NO3- 1 128.0353 -0.84
+  1039.526 C53H71N10O12- 1 1039.5258 0.19
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  128.0352 79842.2 636
+  1039.526 125222.6 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC201655.txt b/Eawag/MSBNK-EAWAG-EC201655.txt
new file mode 100644
index 0000000000..8774f92eaf
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC201655.txt
@@ -0,0 +1,62 @@
+ACCESSION: MSBNK-EAWAG-EC201655
+RECORD_TITLE: [D-Asp3,D-Glu(OMe)6]MC-HtyR (and isomers); LC-ESI-QFT; MS2; CE: 40%; R=15000; [M-H]-; First mass: 40
+DATE: 2025.02.14
+AUTHORS: R. Natumi [dtc], E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1021/acs.est.1c04194
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 2016
+CH$NAME: [D-Asp3,D-Glu(OMe)6]MC-HtyR (and isomers)
+CH$NAME: [D-Asp3,D-MeO-Glu6]MC-HtyR
+CH$NAME: (5R,8S,11R,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-8-[2-(4-hydroxyphenyl)ethyl]-22-methoxycarbonyl-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,19-trimethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11-carboxylic acid
+CH$COMPOUND_CLASS: N/A
+CH$FORMULA: C53H74N10O13
+CH$EXACT_MASS: 1058.543682
+CH$SMILES: O=C(N(C)C(C(N[C@H](C)C1=O)=O)=C)CC[C@H](C(OC)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CCCNC(N)=N)NC(C[C@H](C(O)=O)NC([C@@H](N1)CCC3=CC=C(O)C=C3)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C53H74N10O13/c1-30(27-31(2)43(75-7)28-36-13-10-9-11-14-36)16-22-38-32(3)46(67)61-41(52(74)76-8)24-25-45(66)63(6)34(5)48(69)57-33(4)47(68)60-40(23-19-35-17-20-37(64)21-18-35)50(71)62-42(51(72)73)29-44(65)58-39(49(70)59-38)15-12-26-56-53(54)55/h9-11,13-14,16-18,20-22,27,31-33,38-43,64H,5,12,15,19,23-26,28-29H2,1-4,6-8H3,(H,57,69)(H,58,65)(H,59,70)(H,60,68)(H,61,67)(H,62,71)(H,72,73)(H4,54,55,56)/b22-16+,30-27+/t31-,32-,33+,38-,39-,40-,41+,42+,43-/m0/s1
+CH$LINK: CHEBI 220699
+CH$LINK: PUBCHEM CID:146684706
+CH$LINK: INCHIKEY QHVWVRZVAONQRC-IXKKHWRDSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1100
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.957 min
+MS$FOCUSED_ION: BASE_PEAK 856.4255
+MS$FOCUSED_ION: PRECURSOR_M/Z 1057.5364
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-004i-0904000000-f31a7da3018aa6e91f9b
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  110.0248 C5H4NO2- 1 110.0248 0.22
+  123.0565 C6H7N2O- 1 123.0564 0.94
+  124.0406 C6H6NO2- 1 124.0404 1.83
+  128.0352 C5H6NO3- 1 128.0353 -1.08
+  153.0667 C7H9N2O2- 1 153.067 -1.6
+  193.0979 C10H13N2O2- 1 193.0983 -1.82
+  264.1347 C13H18N3O3- 2 264.1354 -2.39
+  329.1613 C17H21N4O3- 6 329.1619 -1.75
+  347.171 C17H23N4O4- 6 347.1725 -4.16
+PK$NUM_PEAK: 9
+PK$PEAK: m/z int. rel.int.
+  110.0248 23784.4 70
+  123.0565 43387.1 128
+  124.0406 32557.8 96
+  128.0352 336284.3 999
+  153.0667 26396.8 78
+  193.0979 30407 90
+  264.1347 51705 153
+  329.1613 109284.4 324
+  347.171 140213.1 416
+//
diff --git a/Eawag/MSBNK-EAWAG-EC201656.txt b/Eawag/MSBNK-EAWAG-EC201656.txt
new file mode 100644
index 0000000000..28e0134be3
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC201656.txt
@@ -0,0 +1,60 @@
+ACCESSION: MSBNK-EAWAG-EC201656
+RECORD_TITLE: [D-Asp3,D-Glu(OMe)6]MC-HtyR (and isomers); LC-ESI-QFT; MS2; CE: 50%; R=15000; [M-H]-; First mass: 40
+DATE: 2025.02.14
+AUTHORS: R. Natumi [dtc], E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1021/acs.est.1c04194
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 2016
+CH$NAME: [D-Asp3,D-Glu(OMe)6]MC-HtyR (and isomers)
+CH$NAME: [D-Asp3,D-MeO-Glu6]MC-HtyR
+CH$NAME: (5R,8S,11R,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-8-[2-(4-hydroxyphenyl)ethyl]-22-methoxycarbonyl-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,19-trimethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11-carboxylic acid
+CH$COMPOUND_CLASS: N/A
+CH$FORMULA: C53H74N10O13
+CH$EXACT_MASS: 1058.543682
+CH$SMILES: O=C(N(C)C(C(N[C@H](C)C1=O)=O)=C)CC[C@H](C(OC)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CCCNC(N)=N)NC(C[C@H](C(O)=O)NC([C@@H](N1)CCC3=CC=C(O)C=C3)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C53H74N10O13/c1-30(27-31(2)43(75-7)28-36-13-10-9-11-14-36)16-22-38-32(3)46(67)61-41(52(74)76-8)24-25-45(66)63(6)34(5)48(69)57-33(4)47(68)60-40(23-19-35-17-20-37(64)21-18-35)50(71)62-42(51(72)73)29-44(65)58-39(49(70)59-38)15-12-26-56-53(54)55/h9-11,13-14,16-18,20-22,27,31-33,38-43,64H,5,12,15,19,23-26,28-29H2,1-4,6-8H3,(H,57,69)(H,58,65)(H,59,70)(H,60,68)(H,61,67)(H,62,71)(H,72,73)(H4,54,55,56)/b22-16+,30-27+/t31-,32-,33+,38-,39-,40-,41+,42+,43-/m0/s1
+CH$LINK: CHEBI 220699
+CH$LINK: PUBCHEM CID:146684706
+CH$LINK: INCHIKEY QHVWVRZVAONQRC-IXKKHWRDSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1100
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.957 min
+MS$FOCUSED_ION: BASE_PEAK 856.4255
+MS$FOCUSED_ION: PRECURSOR_M/Z 1057.5364
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-00b9-0900000000-aa9a0e55804565cf6612
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  99.0563 C4H7N2O- 1 99.0564 -0.48
+  110.0248 C5H4NO2- 1 110.0248 0.49
+  119.0502 C8H7O- 1 119.0502 0.06
+  123.0563 C6H7N2O- 1 123.0564 -0.55
+  124.0401 C6H6NO2- 1 124.0404 -2.79
+  128.0352 C5H6NO3- 1 128.0353 -0.96
+  246.1241 C11H14N6O- 2 246.1235 2.45
+  347.1722 C17H23N4O4- 6 347.1725 -0.73
+PK$NUM_PEAK: 8
+PK$PEAK: m/z int. rel.int.
+  99.0563 28771.7 98
+  110.0248 53810.2 183
+  119.0502 37821 128
+  123.0563 118676.9 404
+  124.0401 41836 142
+  128.0352 293029 999
+  246.1241 40383.1 137
+  347.1722 35371.2 120
+//
diff --git a/Eawag/MSBNK-EAWAG-EC201657.txt b/Eawag/MSBNK-EAWAG-EC201657.txt
new file mode 100644
index 0000000000..0f73cedcc3
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC201657.txt
@@ -0,0 +1,62 @@
+ACCESSION: MSBNK-EAWAG-EC201657
+RECORD_TITLE: [D-Asp3,D-Glu(OMe)6]MC-HtyR (and isomers); LC-ESI-QFT; MS2; CE: 60%; R=15000; [M-H]-; First mass: 40
+DATE: 2025.02.14
+AUTHORS: R. Natumi [dtc], E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1021/acs.est.1c04194
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 2016
+CH$NAME: [D-Asp3,D-Glu(OMe)6]MC-HtyR (and isomers)
+CH$NAME: [D-Asp3,D-MeO-Glu6]MC-HtyR
+CH$NAME: (5R,8S,11R,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-8-[2-(4-hydroxyphenyl)ethyl]-22-methoxycarbonyl-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,19-trimethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11-carboxylic acid
+CH$COMPOUND_CLASS: N/A
+CH$FORMULA: C53H74N10O13
+CH$EXACT_MASS: 1058.543682
+CH$SMILES: O=C(N(C)C(C(N[C@H](C)C1=O)=O)=C)CC[C@H](C(OC)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CCCNC(N)=N)NC(C[C@H](C(O)=O)NC([C@@H](N1)CCC3=CC=C(O)C=C3)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C53H74N10O13/c1-30(27-31(2)43(75-7)28-36-13-10-9-11-14-36)16-22-38-32(3)46(67)61-41(52(74)76-8)24-25-45(66)63(6)34(5)48(69)57-33(4)47(68)60-40(23-19-35-17-20-37(64)21-18-35)50(71)62-42(51(72)73)29-44(65)58-39(49(70)59-38)15-12-26-56-53(54)55/h9-11,13-14,16-18,20-22,27,31-33,38-43,64H,5,12,15,19,23-26,28-29H2,1-4,6-8H3,(H,57,69)(H,58,65)(H,59,70)(H,60,68)(H,61,67)(H,62,71)(H,72,73)(H4,54,55,56)/b22-16+,30-27+/t31-,32-,33+,38-,39-,40-,41+,42+,43-/m0/s1
+CH$LINK: CHEBI 220699
+CH$LINK: PUBCHEM CID:146684706
+CH$LINK: INCHIKEY QHVWVRZVAONQRC-IXKKHWRDSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-1100
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.957 min
+MS$FOCUSED_ION: BASE_PEAK 856.4255
+MS$FOCUSED_ION: PRECURSOR_M/Z 1057.5364
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-00b9-0900000000-de3f221bfd969b25f67d
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  99.0198 C3H3N2O2- 1 99.02 -2.09
+  99.0565 C4H7N2O- 1 99.0564 1.6
+  110.0248 C5H4NO2- 1 110.0248 0.56
+  112.0405 C5H6NO2- 1 112.0404 1.13
+  113.072 C5H9N2O- 1 113.072 -0.47
+  119.0497 C8H7O- 1 119.0502 -4.24
+  123.0562 C6H7N2O- 1 123.0564 -1.42
+  128.035 C5H6NO3- 1 128.0353 -2.51
+  181.0982 C9H13N2O2- 1 181.0983 -0.44
+PK$NUM_PEAK: 9
+PK$PEAK: m/z int. rel.int.
+  99.0198 16371.3 89
+  99.0565 29088.2 158
+  110.0248 53873.3 293
+  112.0405 13535.7 73
+  113.072 16992.4 92
+  119.0497 50547.4 275
+  123.0562 131347.9 716
+  128.035 183141 999
+  181.0982 18190.5 99
+//
diff --git a/Eawag/MSBNK-EAWAG-EC216301.txt b/Eawag/MSBNK-EAWAG-EC216301.txt
new file mode 100644
index 0000000000..1b11526a89
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC216301.txt
@@ -0,0 +1,62 @@
+ACCESSION: MSBNK-EAWAG-EC216301
+RECORD_TITLE: Nostocyclopeptide Ncp-E1-L; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md18090442
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2163
+CH$NAME: Nostocyclopeptide Ncp-E1-L
+CH$NAME: 2-(2-(2-amino-3-(4-hydroxyphenyl)propanamido)acetamido)-N1-(1-((3-hydroxy-1-oxo-1-(2-((1-oxo-3-phenylpropan-2-yl)carbamoyl)pyrrolidin-1-yl)propan-2-yl)amino)-3-methyl-1-oxopentan-2-yl)pentanediamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C39H54N8O10
+CH$EXACT_MASS: 794.3962899
+CH$SMILES: O=C(NC(C(NC(C(NC(C(N1C(C(NC(CC2=CC=CC=C2)C([H])=O)=O)CCC1)=O)CO)=O)C(C)CC)=O)CCC(N)=O)CNC(C(CC3=CC=C(O)C=C3)N)=O
+CH$IUPAC: InChI=1S/C39H54N8O10/c1-3-23(2)34(46-36(54)29(15-16-32(41)51)44-33(52)20-42-35(53)28(40)19-25-11-13-27(50)14-12-25)38(56)45-30(22-49)39(57)47-17-7-10-31(47)37(55)43-26(21-48)18-24-8-5-4-6-9-24/h4-6,8-9,11-14,21,23,26,28-31,34,49-50H,3,7,10,15-20,22,40H2,1-2H3,(H2,41,51)(H,42,53)(H,43,55)(H,44,52)(H,45,56)(H,46,54)
+CH$LINK: PUBCHEM CID:155802414
+CH$LINK: INCHIKEY XFONTJUFZVROJR-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-832
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.221 min
+MS$FOCUSED_ION: BASE_PEAK 827.4292
+MS$FOCUSED_ION: PRECURSOR_M/Z 795.4036
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-002b-0000010900-c8be7e5e634437ed5e45
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  86.3785 C2H48N+ 1 86.3781 4.09
+  229.1334 C14H17N2O+ 2 229.1335 -0.62
+  334.1759 C18H20N7+ 5 334.1775 -4.67
+  349.1508 C16H21N4O5+ 5 349.1506 0.41
+  434.2397 C21H32N5O5+ 4 434.2398 -0.13
+  462.2348 C22H32N5O6+ 5 462.2347 0.23
+  532.2404 C25H34N5O8+ 6 532.2402 0.34
+  549.2667 C25H37N6O8+ 6 549.2667 -0.09
+  777.3925 C39H53N8O9+ 1 777.393 -0.59
+  795.403 C39H55N8O10+ 1 795.4036 -0.73
+PK$NUM_PEAK: 10
+PK$PEAK: m/z int. rel.int.
+  86.3785 323452.7 28
+  229.1334 805925.7 70
+  334.1759 624679.4 54
+  349.1508 289356.4 25
+  434.2397 165988 14
+  462.2348 1193319.8 103
+  532.2404 482061.2 41
+  549.2667 2715739.2 236
+  777.3925 7370788.5 640
+  795.403 11494669 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC216302.txt b/Eawag/MSBNK-EAWAG-EC216302.txt
new file mode 100644
index 0000000000..d765a32553
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC216302.txt
@@ -0,0 +1,100 @@
+ACCESSION: MSBNK-EAWAG-EC216302
+RECORD_TITLE: Nostocyclopeptide Ncp-E1-L; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md18090442
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2163
+CH$NAME: Nostocyclopeptide Ncp-E1-L
+CH$NAME: 2-(2-(2-amino-3-(4-hydroxyphenyl)propanamido)acetamido)-N1-(1-((3-hydroxy-1-oxo-1-(2-((1-oxo-3-phenylpropan-2-yl)carbamoyl)pyrrolidin-1-yl)propan-2-yl)amino)-3-methyl-1-oxopentan-2-yl)pentanediamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C39H54N8O10
+CH$EXACT_MASS: 794.3962899
+CH$SMILES: O=C(NC(C(NC(C(NC(C(N1C(C(NC(CC2=CC=CC=C2)C([H])=O)=O)CCC1)=O)CO)=O)C(C)CC)=O)CCC(N)=O)CNC(C(CC3=CC=C(O)C=C3)N)=O
+CH$IUPAC: InChI=1S/C39H54N8O10/c1-3-23(2)34(46-36(54)29(15-16-32(41)51)44-33(52)20-42-35(53)28(40)19-25-11-13-27(50)14-12-25)38(56)45-30(22-49)39(57)47-17-7-10-31(47)37(55)43-26(21-48)18-24-8-5-4-6-9-24/h4-6,8-9,11-14,21,23,26,28-31,34,49-50H,3,7,10,15-20,22,40H2,1-2H3,(H2,41,51)(H,42,53)(H,43,55)(H,44,52)(H,45,56)(H,46,54)
+CH$LINK: PUBCHEM CID:155802414
+CH$LINK: INCHIKEY XFONTJUFZVROJR-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-832
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.221 min
+MS$FOCUSED_ION: BASE_PEAK 827.4292
+MS$FOCUSED_ION: PRECURSOR_M/Z 795.4036
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0032-0044490500-a97413896582df66615a
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  86.3777 C2H48N+ 1 86.3781 -4.57
+  101.0709 C4H9N2O+ 1 101.0709 -0.34
+  185.0923 C8H13N2O3+ 1 185.0921 1.01
+  186.0868 C7H12N3O3+ 2 186.0873 -2.98
+  229.1333 C14H17N2O+ 3 229.1335 -1.08
+  242.1496 C11H20N3O3+ 2 242.1499 -1.34
+  247.1438 C14H19N2O2+ 3 247.1441 -1.08
+  299.1711 C13H23N4O4+ 3 299.1714 -0.8
+  311.1713 C14H23N4O4+ 5 311.1714 -0.26
+  334.1761 C18H20N7+ 5 334.1775 -4.12
+  349.1505 C16H21N4O5+ 5 349.1506 -0.29
+  386.203 C30H26+ 5 386.2029 0.33
+  401.1457 C19H21N4O6+ 5 401.1456 0.26
+  418.1719 C18H28NO10+ 5 418.1708 2.67
+  434.2396 C21H32N5O5+ 4 434.2398 -0.55
+  436.1819 C33H24O+ 6 436.1822 -0.52
+  445.2078 C22H29N4O6+ 5 445.2082 -0.75
+  462.2348 C22H32N5O6+ 5 462.2347 0.1
+  469.2087 C24H29N4O6+ 6 469.2082 1.21
+  503.2614 C24H35N6O6+ 6 503.2613 0.35
+  504.2454 C24H34N5O7+ 6 504.2453 0.33
+  514.2298 C25H32N5O7+ 6 514.2296 0.33
+  521.2721 C24H37N6O7+ 6 521.2718 0.53
+  531.2559 C25H35N6O7+ 5 531.2562 -0.45
+  532.2406 C25H34N5O8+ 6 532.2402 0.68
+  549.2668 C25H37N6O8+ 6 549.2667 0.13
+  759.3831 C39H51N8O8+ 1 759.3824 0.84
+  777.3927 C39H53N8O9+ 1 777.393 -0.36
+  795.4034 C39H55N8O10+ 1 795.4036 -0.27
+PK$NUM_PEAK: 29
+PK$PEAK: m/z int. rel.int.
+  86.3777 186396.2 44
+  101.0709 502540.4 121
+  185.0923 102273.9 24
+  186.0868 62303 15
+  229.1333 3934736.8 948
+  242.1496 66571.2 16
+  247.1438 1032082.7 248
+  299.1711 207776.1 50
+  311.1713 59589.2 14
+  334.1761 2302543.8 554
+  349.1505 2865644 690
+  386.203 75611.7 18
+  401.1457 300468 72
+  418.1719 514724.9 124
+  434.2396 1013117.8 244
+  436.1819 399613.7 96
+  445.2078 55138.8 13
+  462.2348 2258280.2 544
+  469.2087 284829.9 68
+  503.2614 152890.2 36
+  504.2454 468526.7 112
+  514.2298 1007476.2 242
+  521.2721 469220.6 113
+  531.2559 1807344.9 435
+  532.2406 1873266.2 451
+  549.2668 4144897.2 999
+  759.3831 279797.9 67
+  777.3927 4085479.2 984
+  795.4034 1814326 437
+//
diff --git a/Eawag/MSBNK-EAWAG-EC216303.txt b/Eawag/MSBNK-EAWAG-EC216303.txt
new file mode 100644
index 0000000000..f764fe3119
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC216303.txt
@@ -0,0 +1,144 @@
+ACCESSION: MSBNK-EAWAG-EC216303
+RECORD_TITLE: Nostocyclopeptide Ncp-E1-L; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md18090442
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2163
+CH$NAME: Nostocyclopeptide Ncp-E1-L
+CH$NAME: 2-(2-(2-amino-3-(4-hydroxyphenyl)propanamido)acetamido)-N1-(1-((3-hydroxy-1-oxo-1-(2-((1-oxo-3-phenylpropan-2-yl)carbamoyl)pyrrolidin-1-yl)propan-2-yl)amino)-3-methyl-1-oxopentan-2-yl)pentanediamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C39H54N8O10
+CH$EXACT_MASS: 794.3962899
+CH$SMILES: O=C(NC(C(NC(C(NC(C(N1C(C(NC(CC2=CC=CC=C2)C([H])=O)=O)CCC1)=O)CO)=O)C(C)CC)=O)CCC(N)=O)CNC(C(CC3=CC=C(O)C=C3)N)=O
+CH$IUPAC: InChI=1S/C39H54N8O10/c1-3-23(2)34(46-36(54)29(15-16-32(41)51)44-33(52)20-42-35(53)28(40)19-25-11-13-27(50)14-12-25)38(56)45-30(22-49)39(57)47-17-7-10-31(47)37(55)43-26(21-48)18-24-8-5-4-6-9-24/h4-6,8-9,11-14,21,23,26,28-31,34,49-50H,3,7,10,15-20,22,40H2,1-2H3,(H2,41,51)(H,42,53)(H,43,55)(H,44,52)(H,45,56)(H,46,54)
+CH$LINK: PUBCHEM CID:155802414
+CH$LINK: INCHIKEY XFONTJUFZVROJR-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-832
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.221 min
+MS$FOCUSED_ION: BASE_PEAK 827.4292
+MS$FOCUSED_ION: PRECURSOR_M/Z 795.4036
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0002-0379340000-4caa4fdc8cf454afb09b
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  70.065 C4H8N+ 1 70.0651 -1.39
+  84.0444 C4H6NO+ 1 84.0444 0.06
+  86.0964 C5H12N+ 1 86.0964 0.21
+  101.0709 C4H9N2O+ 1 101.0709 -0.64
+  129.0659 C5H9N2O2+ 1 129.0659 0.27
+  136.0756 C8H10NO+ 1 136.0757 -0.69
+  150.0912 C9H12NO+ 1 150.0913 -1.05
+  157.0969 C7H13N2O2+ 1 157.0972 -1.43
+  185.0918 C8H13N2O3+ 1 185.0921 -1.21
+  186.0871 C7H12N3O3+ 1 186.0873 -1.26
+  197.1281 C10H17N2O2+ 2 197.1285 -1.92
+  214.155 C10H20N3O2+ 1 214.155 -0.13
+  221.0918 C11H13N2O3+ 2 221.0921 -1.27
+  229.1333 C14H17N2O+ 3 229.1335 -1.02
+  238.1181 C11H16N3O3+ 2 238.1186 -1.97
+  242.1498 C11H20N3O3+ 1 242.1499 -0.4
+  245.0923 C13H13N2O3+ 1 245.0921 1.1
+  247.1439 C14H19N2O2+ 3 247.1441 -0.9
+  251.1023 C12H15N2O4+ 2 251.1026 -1.27
+  254.15 C12H20N3O3+ 2 254.1499 0.38
+  273.087 C14H13N2O4+ 4 273.087 -0.02
+  282.1445 C13H20N3O4+ 2 282.1448 -1.08
+  290.1132 C14H16N3O4+ 3 290.1135 -1.03
+  299.1716 C13H23N4O4+ 3 299.1714 0.73
+  304.1291 C15H18N3O4+ 5 304.1292 -0.4
+  311.1715 C14H23N4O4+ 5 311.1714 0.33
+  312.1553 C14H22N3O5+ 4 312.1554 -0.38
+  316.165 C17H22N3O3+ 3 316.1656 -1.85
+  321.1555 C15H21N4O4+ 5 321.1557 -0.74
+  329.1822 C14H25N4O5+ 5 329.1819 0.85
+  334.1761 C18H20N7+ 5 334.1775 -4.21
+  349.1505 C16H21N4O5+ 5 349.1506 -0.38
+  373.1509 C18H21N4O5+ 5 373.1506 0.78
+  386.2028 C30H26+ 5 386.2029 -0.14
+  391.1612 C18H23N4O6+ 5 391.1612 0.03
+  401.1454 C19H21N4O6+ 5 401.1456 -0.35
+  417.2132 C21H29N4O5+ 5 417.2132 -0.02
+  418.1719 C18H28NO10+ 5 418.1708 2.74
+  434.2397 C21H32N5O5+ 4 434.2398 -0.27
+  462.2347 C22H32N5O6+ 5 462.2347 -0.03
+  469.2085 C24H29N4O6+ 6 469.2082 0.76
+  503.2617 C24H35N6O6+ 6 503.2613 0.95
+  504.2456 C24H34N5O7+ 6 504.2453 0.7
+  514.2296 C25H32N5O7+ 5 514.2296 -0.14
+  521.2718 C24H37N6O7+ 4 521.2718 -0.06
+  531.2561 C25H35N6O7+ 5 531.2562 -0.11
+  532.2407 C25H34N5O8+ 6 532.2402 0.91
+  549.2667 C25H37N6O8+ 6 549.2667 0.02
+  646.3179 C30H44N7O9+ 3 646.3195 -2.53
+  759.3812 C39H51N8O8+ 1 759.3824 -1.65
+  777.3923 C39H53N8O9+ 1 777.393 -0.9
+PK$NUM_PEAK: 51
+PK$PEAK: m/z int. rel.int.
+  70.065 101992.3 16
+  84.0444 223058.2 36
+  86.0964 136226.4 22
+  101.0709 2447854.8 396
+  129.0659 103038.5 16
+  136.0756 373155.3 60
+  150.0912 109990.9 17
+  157.0969 155667.6 25
+  185.0918 469341.8 76
+  186.0871 390628.1 63
+  197.1281 75984.6 12
+  214.155 183258.9 29
+  221.0918 264343.5 42
+  229.1333 4557858.5 738
+  238.1181 241338.3 39
+  242.1498 187956.6 30
+  245.0923 67414.6 10
+  247.1439 2407226 390
+  251.1023 196468.9 31
+  254.15 183522.7 29
+  273.087 594971.8 96
+  282.1445 102013.5 16
+  290.1132 106624.2 17
+  299.1716 413178.6 66
+  304.1291 64369.9 10
+  311.1715 240546.4 39
+  312.1553 281113.9 45
+  316.165 111594.9 18
+  321.1555 336197.3 54
+  329.1822 431994.6 70
+  334.1761 2839909.2 460
+  349.1505 6161676.5 999
+  373.1509 182399 29
+  386.2028 280085.5 45
+  391.1612 656649.7 106
+  401.1454 642825.3 104
+  417.2132 333889.8 54
+  418.1719 631107.9 102
+  434.2397 1118438 181
+  462.2347 1293443.5 209
+  469.2085 751290.8 121
+  503.2617 170233.6 27
+  504.2456 835105.2 135
+  514.2296 1035621.1 167
+  521.2718 408340 66
+  531.2561 890856.7 144
+  532.2407 1096785.2 177
+  549.2667 1654174.6 268
+  646.3179 73066.7 11
+  759.3812 164409.8 26
+  777.3923 464627.9 75
+//
diff --git a/Eawag/MSBNK-EAWAG-EC216304.txt b/Eawag/MSBNK-EAWAG-EC216304.txt
new file mode 100644
index 0000000000..d2f75511c4
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC216304.txt
@@ -0,0 +1,152 @@
+ACCESSION: MSBNK-EAWAG-EC216304
+RECORD_TITLE: Nostocyclopeptide Ncp-E1-L; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md18090442
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2163
+CH$NAME: Nostocyclopeptide Ncp-E1-L
+CH$NAME: 2-(2-(2-amino-3-(4-hydroxyphenyl)propanamido)acetamido)-N1-(1-((3-hydroxy-1-oxo-1-(2-((1-oxo-3-phenylpropan-2-yl)carbamoyl)pyrrolidin-1-yl)propan-2-yl)amino)-3-methyl-1-oxopentan-2-yl)pentanediamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C39H54N8O10
+CH$EXACT_MASS: 794.3962899
+CH$SMILES: O=C(NC(C(NC(C(NC(C(N1C(C(NC(CC2=CC=CC=C2)C([H])=O)=O)CCC1)=O)CO)=O)C(C)CC)=O)CCC(N)=O)CNC(C(CC3=CC=C(O)C=C3)N)=O
+CH$IUPAC: InChI=1S/C39H54N8O10/c1-3-23(2)34(46-36(54)29(15-16-32(41)51)44-33(52)20-42-35(53)28(40)19-25-11-13-27(50)14-12-25)38(56)45-30(22-49)39(57)47-17-7-10-31(47)37(55)43-26(21-48)18-24-8-5-4-6-9-24/h4-6,8-9,11-14,21,23,26,28-31,34,49-50H,3,7,10,15-20,22,40H2,1-2H3,(H2,41,51)(H,42,53)(H,43,55)(H,44,52)(H,45,56)(H,46,54)
+CH$LINK: PUBCHEM CID:155802414
+CH$LINK: INCHIKEY XFONTJUFZVROJR-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-832
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.221 min
+MS$FOCUSED_ION: BASE_PEAK 827.4292
+MS$FOCUSED_ION: PRECURSOR_M/Z 795.4036
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0f6t-1789210000-f8d81df654c0c0fd1b1e
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  70.0651 C4H8N+ 1 70.0651 -0.08
+  84.0444 C4H6NO+ 1 84.0444 -0.3
+  86.0964 C5H12N+ 1 86.0964 -0.5
+  101.0709 C4H9N2O+ 1 101.0709 -0.79
+  129.0656 C5H9N2O2+ 1 129.0659 -1.98
+  136.0756 C8H10NO+ 1 136.0757 -0.91
+  150.091 C9H12NO+ 1 150.0913 -2.27
+  157.0971 C7H13N2O2+ 1 157.0972 -0.56
+  169.0605 C7H9N2O3+ 1 169.0608 -1.45
+  185.0919 C8H13N2O3+ 1 185.0921 -0.96
+  186.0872 C7H12N3O3+ 1 186.0873 -0.77
+  193.0971 C10H13N2O2+ 1 193.0972 -0.11
+  197.1285 C10H17N2O2+ 1 197.1285 0.09
+  205.097 C11H13N2O2+ 1 205.0972 -0.65
+  214.1548 C10H20N3O2+ 1 214.155 -1.13
+  221.0919 C11H13N2O3+ 1 221.0921 -0.78
+  223.1075 C11H15N2O3+ 2 223.1077 -1.03
+  229.1333 C14H17N2O+ 3 229.1335 -0.95
+  238.1184 C11H16N3O3+ 2 238.1186 -0.75
+  242.1496 C11H20N3O3+ 2 242.1499 -1.22
+  245.092 C13H13N2O3+ 1 245.0921 -0.2
+  247.1439 C14H19N2O2+ 3 247.1441 -0.96
+  251.1023 C12H15N2O4+ 2 251.1026 -1.14
+  254.1494 C12H20N3O3+ 2 254.1499 -2.14
+  273.0869 C14H13N2O4+ 3 273.087 -0.47
+  280.1297 C13H18N3O4+ 3 280.1292 1.92
+  282.1451 C13H20N3O4+ 3 282.1448 0.86
+  290.1132 C14H16N3O4+ 3 290.1135 -1.13
+  294.145 C14H20N3O4+ 4 294.1448 0.71
+  299.1719 C13H23N4O4+ 3 299.1714 1.75
+  304.1289 C15H18N3O4+ 3 304.1292 -0.9
+  311.1715 C14H23N4O4+ 5 311.1714 0.33
+  312.1551 C14H22N3O5+ 2 312.1554 -1.06
+  316.1655 C17H22N3O3+ 4 316.1656 -0.11
+  321.1555 C15H21N4O4+ 4 321.1557 -0.83
+  325.1509 C14H21N4O5+ 5 325.1506 0.64
+  329.1818 C14H25N4O5+ 5 329.1819 -0.54
+  332.1242 C16H18N3O5+ 4 332.1241 0.26
+  334.1761 C18H20N7+ 5 334.1775 -4.03
+  349.1505 C16H21N4O5+ 5 349.1506 -0.38
+  369.1765 C16H25N4O6+ 5 369.1769 -0.95
+  373.1506 C18H21N4O5+ 5 373.1506 -0.04
+  391.1611 C18H23N4O6+ 5 391.1612 -0.2
+  401.1452 C19H21N4O6+ 5 401.1456 -0.81
+  417.213 C21H29N4O5+ 5 417.2132 -0.61
+  434.2396 C21H32N5O5+ 4 434.2398 -0.48
+  436.1822 C33H24O+ 5 436.1822 0.04
+  438.2368 C23H30N6O3+ 4 438.2374 -1.32
+  445.2075 C22H29N4O6+ 6 445.2082 -1.57
+  462.2352 C22H32N5O6+ 6 462.2347 0.96
+  469.208 C24H29N4O6+ 5 469.2082 -0.41
+  504.2456 C24H34N5O7+ 6 504.2453 0.64
+  514.2295 C25H32N5O7+ 6 514.2296 -0.26
+  532.2399 C25H34N5O8+ 5 532.2402 -0.46
+  549.267 C25H37N6O8+ 6 549.2667 0.46
+PK$NUM_PEAK: 55
+PK$PEAK: m/z int. rel.int.
+  70.0651 554254.4 90
+  84.0444 732532.2 119
+  86.0964 363901.7 59
+  101.0709 5406114 880
+  129.0656 128802.3 20
+  136.0756 1413029.6 230
+  150.091 248581.8 40
+  157.0971 539082.4 87
+  169.0605 106678.2 17
+  185.0919 1012951 165
+  186.0872 958538.6 156
+  193.0971 101058.9 16
+  197.1285 344285.5 56
+  205.097 68086.3 11
+  214.1548 363657.2 59
+  221.0919 851372.4 138
+  223.1075 295641.9 48
+  229.1333 2700199 439
+  238.1184 815551.9 132
+  242.1496 264173.4 43
+  245.092 241943 39
+  247.1439 3402801.2 554
+  251.1023 391631.9 63
+  254.1494 386399 62
+  273.0869 1123003 182
+  280.1297 104087.8 16
+  282.1451 107215.3 17
+  290.1132 256946.6 41
+  294.145 150108.9 24
+  299.1719 353233.5 57
+  304.1289 215199.9 35
+  311.1715 477467.3 77
+  312.1551 528313 86
+  316.1655 118248.5 19
+  321.1555 736294.6 119
+  325.1509 201238 32
+  329.1818 347438.6 56
+  332.1242 93408.2 15
+  334.1761 1824397.6 297
+  349.1505 6132883 999
+  369.1765 211516.1 34
+  373.1506 274030.1 44
+  391.1611 830408.4 135
+  401.1452 381777.3 62
+  417.213 431142.3 70
+  434.2396 538011.6 87
+  436.1822 430328.1 70
+  438.2368 89874.1 14
+  445.2075 61406.3 10
+  462.2352 427936.7 69
+  469.208 473902.8 77
+  504.2456 525610.2 85
+  514.2295 410606.7 66
+  532.2399 267953.2 43
+  549.267 332442.4 54
+//
diff --git a/Eawag/MSBNK-EAWAG-EC216305.txt b/Eawag/MSBNK-EAWAG-EC216305.txt
new file mode 100644
index 0000000000..6eba8e4169
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC216305.txt
@@ -0,0 +1,142 @@
+ACCESSION: MSBNK-EAWAG-EC216305
+RECORD_TITLE: Nostocyclopeptide Ncp-E1-L; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md18090442
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2163
+CH$NAME: Nostocyclopeptide Ncp-E1-L
+CH$NAME: 2-(2-(2-amino-3-(4-hydroxyphenyl)propanamido)acetamido)-N1-(1-((3-hydroxy-1-oxo-1-(2-((1-oxo-3-phenylpropan-2-yl)carbamoyl)pyrrolidin-1-yl)propan-2-yl)amino)-3-methyl-1-oxopentan-2-yl)pentanediamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C39H54N8O10
+CH$EXACT_MASS: 794.3962899
+CH$SMILES: O=C(NC(C(NC(C(NC(C(N1C(C(NC(CC2=CC=CC=C2)C([H])=O)=O)CCC1)=O)CO)=O)C(C)CC)=O)CCC(N)=O)CNC(C(CC3=CC=C(O)C=C3)N)=O
+CH$IUPAC: InChI=1S/C39H54N8O10/c1-3-23(2)34(46-36(54)29(15-16-32(41)51)44-33(52)20-42-35(53)28(40)19-25-11-13-27(50)14-12-25)38(56)45-30(22-49)39(57)47-17-7-10-31(47)37(55)43-26(21-48)18-24-8-5-4-6-9-24/h4-6,8-9,11-14,21,23,26,28-31,34,49-50H,3,7,10,15-20,22,40H2,1-2H3,(H2,41,51)(H,42,53)(H,43,55)(H,44,52)(H,45,56)(H,46,54)
+CH$LINK: PUBCHEM CID:155802414
+CH$LINK: INCHIKEY XFONTJUFZVROJR-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-832
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.221 min
+MS$FOCUSED_ION: BASE_PEAK 827.4292
+MS$FOCUSED_ION: PRECURSOR_M/Z 795.4036
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0ukj-3951000000-ceda5214901f53c86e48
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  60.0444 C2H6NO+ 1 60.0444 0.24
+  70.0651 C4H8N+ 1 70.0651 0.03
+  75.0553 C2H7N2O+ 1 75.0553 0.43
+  84.0444 C4H6NO+ 1 84.0444 -0.03
+  86.0964 C5H12N+ 1 86.0964 -0.24
+  101.0709 C4H9N2O+ 1 101.0709 -0.49
+  107.0491 C7H7O+ 1 107.0491 -0.52
+  129.0658 C5H9N2O2+ 1 129.0659 -0.79
+  132.0805 C9H10N+ 1 132.0808 -1.71
+  136.0756 C8H10NO+ 1 136.0757 -0.91
+  147.0438 C9H7O2+ 1 147.0441 -1.66
+  148.0756 C9H10NO+ 1 148.0757 -0.82
+  150.0912 C9H12NO+ 1 150.0913 -1.05
+  157.0971 C7H13N2O2+ 1 157.0972 -0.66
+  167.0449 C7H7N2O3+ 1 167.0451 -1.5
+  167.0814 C8H11N2O2+ 1 167.0815 -0.36
+  169.0607 C7H9N2O3+ 1 169.0608 -0.37
+  176.0705 C10H10NO2+ 1 176.0706 -0.41
+  178.0862 C10H12NO2+ 1 178.0863 -0.55
+  185.092 C8H13N2O3+ 1 185.0921 -0.39
+  186.0872 C7H12N3O3+ 1 186.0873 -0.85
+  193.097 C10H13N2O2+ 1 193.0972 -0.67
+  196.1443 C10H18N3O+ 1 196.1444 -0.5
+  197.1283 C10H17N2O2+ 1 197.1285 -0.69
+  201.1408 CH21N4O7+ 1 201.1405 1.54
+  205.0971 C11H13N2O2+ 1 205.0972 -0.2
+  214.1549 C10H20N3O2+ 1 214.155 -0.28
+  217.0972 C12H13N2O2+ 1 217.0972 0.38
+  221.092 C11H13N2O3+ 1 221.0921 -0.37
+  223.1076 C11H15N2O3+ 1 223.1077 -0.75
+  225.1234 C11H17N2O3+ 1 225.1234 0.29
+  229.1334 C14H17N2O+ 2 229.1335 -0.48
+  238.1185 C11H16N3O3+ 1 238.1186 -0.37
+  242.1497 C11H20N3O3+ 2 242.1499 -0.9
+  245.092 C13H13N2O3+ 1 245.0921 -0.33
+  247.1439 C14H19N2O2+ 3 247.1441 -0.71
+  251.1026 C12H15N2O4+ 1 251.1026 -0.29
+  254.1498 C12H20N3O3+ 2 254.1499 -0.4
+  273.0869 C14H13N2O4+ 3 273.087 -0.47
+  280.1291 C13H18N3O4+ 4 280.1292 -0.15
+  287.1026 C15H15N2O4+ 4 287.1026 -0.2
+  294.1451 C14H20N3O4+ 4 294.1448 0.81
+  311.1715 C14H23N4O4+ 5 311.1714 0.43
+  312.1554 C14H22N3O5+ 4 312.1554 0.01
+  321.1559 C15H21N4O4+ 5 321.1557 0.4
+  325.151 C14H21N4O5+ 3 325.1506 1.11
+  332.1237 C16H18N3O5+ 2 332.1241 -1.3
+  349.1506 C16H21N4O5+ 5 349.1506 -0.21
+  369.1772 C16H25N4O6+ 5 369.1769 0.95
+  391.1609 C18H23N4O6+ 5 391.1612 -0.67
+PK$NUM_PEAK: 50
+PK$PEAK: m/z int. rel.int.
+  60.0444 246367.9 24
+  70.0651 3459063.2 338
+  75.0553 510789.8 49
+  84.0444 3134161.5 306
+  86.0964 1273229.8 124
+  101.0709 10213851 999
+  107.0491 178936.5 17
+  129.0658 334972.5 32
+  132.0805 160926.3 15
+  136.0756 5440363.5 532
+  147.0438 168253.2 16
+  148.0756 255059.1 24
+  150.0912 363068 35
+  157.0971 1494495.1 146
+  167.0449 206223.5 20
+  167.0814 125098.2 12
+  169.0607 522368.1 51
+  176.0705 116741.6 11
+  178.0862 283073.2 27
+  185.092 736213.6 72
+  186.0872 1705650.9 166
+  193.097 700227.7 68
+  196.1443 430026.4 42
+  197.1283 1225957.8 119
+  201.1408 1443077.5 141
+  205.0971 143843.7 14
+  214.1549 490909.8 48
+  217.0972 165613.2 16
+  221.092 2091440.4 204
+  223.1076 758838.1 74
+  225.1234 373141.2 36
+  229.1334 802558.4 78
+  238.1185 1847769.6 180
+  242.1497 183225.6 17
+  245.092 551073.4 53
+  247.1439 3317672 324
+  251.1026 322471.8 31
+  254.1498 627244.4 61
+  273.0869 709355.7 69
+  280.1291 289330.3 28
+  287.1026 105544.4 10
+  294.1451 209130.4 20
+  311.1715 396284.7 38
+  312.1554 664369.9 64
+  321.1559 596762.4 58
+  325.151 122207.7 11
+  332.1237 289162.9 28
+  349.1506 1800915.2 176
+  369.1772 132927.9 13
+  391.1609 215600.4 21
+//
diff --git a/Eawag/MSBNK-EAWAG-EC216306.txt b/Eawag/MSBNK-EAWAG-EC216306.txt
new file mode 100644
index 0000000000..bbcb34dbc9
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC216306.txt
@@ -0,0 +1,138 @@
+ACCESSION: MSBNK-EAWAG-EC216306
+RECORD_TITLE: Nostocyclopeptide Ncp-E1-L; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md18090442
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2163
+CH$NAME: Nostocyclopeptide Ncp-E1-L
+CH$NAME: 2-(2-(2-amino-3-(4-hydroxyphenyl)propanamido)acetamido)-N1-(1-((3-hydroxy-1-oxo-1-(2-((1-oxo-3-phenylpropan-2-yl)carbamoyl)pyrrolidin-1-yl)propan-2-yl)amino)-3-methyl-1-oxopentan-2-yl)pentanediamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C39H54N8O10
+CH$EXACT_MASS: 794.3962899
+CH$SMILES: O=C(NC(C(NC(C(NC(C(N1C(C(NC(CC2=CC=CC=C2)C([H])=O)=O)CCC1)=O)CO)=O)C(C)CC)=O)CCC(N)=O)CNC(C(CC3=CC=C(O)C=C3)N)=O
+CH$IUPAC: InChI=1S/C39H54N8O10/c1-3-23(2)34(46-36(54)29(15-16-32(41)51)44-33(52)20-42-35(53)28(40)19-25-11-13-27(50)14-12-25)38(56)45-30(22-49)39(57)47-17-7-10-31(47)37(55)43-26(21-48)18-24-8-5-4-6-9-24/h4-6,8-9,11-14,21,23,26,28-31,34,49-50H,3,7,10,15-20,22,40H2,1-2H3,(H2,41,51)(H,42,53)(H,43,55)(H,44,52)(H,45,56)(H,46,54)
+CH$LINK: PUBCHEM CID:155802414
+CH$LINK: INCHIKEY XFONTJUFZVROJR-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-832
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.221 min
+MS$FOCUSED_ION: BASE_PEAK 827.4292
+MS$FOCUSED_ION: PRECURSOR_M/Z 795.4036
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0fer-5920000000-2bbf68e2dacb15d7d56d
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  56.0494 C3H6N+ 1 56.0495 -0.48
+  60.0444 C2H6NO+ 1 60.0444 0.3
+  70.0651 C4H8N+ 1 70.0651 -0.41
+  75.0553 C2H7N2O+ 1 75.0553 -0.18
+  84.0444 C4H6NO+ 1 84.0444 -0.39
+  86.0964 C5H12N+ 1 86.0964 -0.59
+  91.0541 C7H7+ 1 91.0542 -0.98
+  101.0709 C4H9N2O+ 1 101.0709 -0.79
+  107.0492 C7H7O+ 1 107.0491 0.12
+  110.0837 C6H10N2+ 1 110.0838 -1.07
+  119.0489 C8H7O+ 1 119.0491 -1.79
+  129.0657 C5H9N2O2+ 1 129.0659 -1.03
+  132.0806 C9H10N+ 1 132.0808 -1.25
+  133.0645 C9H9O+ 1 133.0648 -2.49
+  136.0755 C8H10NO+ 1 136.0757 -1.25
+  141.0657 C6H9N2O2+ 1 141.0659 -0.98
+  147.0439 C9H7O2+ 1 147.0441 -1.24
+  148.0755 C9H10NO+ 1 148.0757 -1.13
+  150.0913 C9H12NO+ 1 150.0913 -0.54
+  157.097 C7H13N2O2+ 1 157.0972 -0.75
+  160.0757 C10H10NO+ 1 160.0757 0.19
+  167.0813 C8H11N2O2+ 1 167.0815 -1.37
+  169.0607 C7H9N2O3+ 1 169.0608 -0.64
+  169.1336 C9H17N2O+ 1 169.1335 0.25
+  176.0704 C10H10NO2+ 1 176.0706 -1.11
+  178.0861 C10H12NO2+ 1 178.0863 -0.81
+  185.0919 C8H13N2O3+ 1 185.0921 -0.96
+  186.0871 C7H12N3O3+ 1 186.0873 -1.1
+  189.1019 C11H13N2O+ 1 189.1022 -2.06
+  193.097 C10H13N2O2+ 1 193.0972 -0.82
+  196.1443 C10H18N3O+ 1 196.1444 -0.5
+  197.1283 C10H17N2O2+ 1 197.1285 -0.99
+  201.1403 CH21N4O7+ 1 201.1405 -1.04
+  214.1549 C10H20N3O2+ 1 214.155 -0.56
+  217.0969 C12H13N2O2+ 1 217.0972 -1.03
+  221.0919 C11H13N2O3+ 1 221.0921 -0.71
+  223.1076 C11H15N2O3+ 1 223.1077 -0.41
+  225.1232 C11H17N2O3+ 1 225.1234 -0.93
+  237.1231 C12H17N2O3+ 2 237.1234 -1.29
+  238.1185 C11H16N3O3+ 2 238.1186 -0.69
+  245.0915 C13H13N2O3+ 2 245.0921 -2.32
+  247.1438 C14H19N2O2+ 3 247.1441 -1.21
+  254.15 C12H20N3O3+ 2 254.1499 0.5
+  273.0871 C14H13N2O4+ 3 273.087 0.31
+  287.102 C15H15N2O4+ 3 287.1026 -2.11
+  294.1443 C14H20N3O4+ 3 294.1448 -1.68
+  312.1549 C14H22N3O5+ 2 312.1554 -1.55
+  349.1505 C16H21N4O5+ 5 349.1506 -0.56
+PK$NUM_PEAK: 48
+PK$PEAK: m/z int. rel.int.
+  56.0494 135619.5 16
+  60.0444 322125.3 39
+  70.0651 5820103 707
+  75.0553 1105499.8 134
+  84.0444 6131331.5 745
+  86.0964 1941263.4 236
+  91.0541 164634.8 20
+  101.0709 7892492 960
+  107.0492 284549.6 34
+  110.0837 82977 10
+  119.0489 182079.6 22
+  129.0657 794196.4 96
+  132.0806 227920.7 27
+  133.0645 88194.5 10
+  136.0755 8212668.5 999
+  141.0657 243928.4 29
+  147.0439 373975.8 45
+  148.0755 655936.8 79
+  150.0913 278262.3 33
+  157.097 931366.9 113
+  160.0757 146781.4 17
+  167.0813 162789.7 19
+  169.0607 614340.9 74
+  169.1336 118338.9 14
+  176.0704 139061.2 16
+  178.0861 480790.2 58
+  185.0919 154537.5 18
+  186.0871 855729.4 104
+  189.1019 167510.2 20
+  193.097 957241.8 116
+  196.1443 517400.7 62
+  197.1283 1517637.2 184
+  201.1403 915188.1 111
+  214.1549 259959.4 31
+  217.0969 141290.8 17
+  221.0919 1319412.5 160
+  223.1076 624010.5 75
+  225.1232 301520.3 36
+  237.1231 170542 20
+  238.1185 821498.6 99
+  245.0915 194260.6 23
+  247.1438 1080130.1 131
+  254.15 314038.1 38
+  273.0871 129286.3 15
+  287.102 92500.4 11
+  294.1443 99328.8 12
+  312.1549 263189.9 32
+  349.1505 145763 17
+//
diff --git a/Eawag/MSBNK-EAWAG-EC216307.txt b/Eawag/MSBNK-EAWAG-EC216307.txt
new file mode 100644
index 0000000000..babd219555
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC216307.txt
@@ -0,0 +1,112 @@
+ACCESSION: MSBNK-EAWAG-EC216307
+RECORD_TITLE: Nostocyclopeptide Ncp-E1-L; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md18090442
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2163
+CH$NAME: Nostocyclopeptide Ncp-E1-L
+CH$NAME: 2-(2-(2-amino-3-(4-hydroxyphenyl)propanamido)acetamido)-N1-(1-((3-hydroxy-1-oxo-1-(2-((1-oxo-3-phenylpropan-2-yl)carbamoyl)pyrrolidin-1-yl)propan-2-yl)amino)-3-methyl-1-oxopentan-2-yl)pentanediamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C39H54N8O10
+CH$EXACT_MASS: 794.3962899
+CH$SMILES: O=C(NC(C(NC(C(NC(C(N1C(C(NC(CC2=CC=CC=C2)C([H])=O)=O)CCC1)=O)CO)=O)C(C)CC)=O)CCC(N)=O)CNC(C(CC3=CC=C(O)C=C3)N)=O
+CH$IUPAC: InChI=1S/C39H54N8O10/c1-3-23(2)34(46-36(54)29(15-16-32(41)51)44-33(52)20-42-35(53)28(40)19-25-11-13-27(50)14-12-25)38(56)45-30(22-49)39(57)47-17-7-10-31(47)37(55)43-26(21-48)18-24-8-5-4-6-9-24/h4-6,8-9,11-14,21,23,26,28-31,34,49-50H,3,7,10,15-20,22,40H2,1-2H3,(H2,41,51)(H,42,53)(H,43,55)(H,44,52)(H,45,56)(H,46,54)
+CH$LINK: PUBCHEM CID:155802414
+CH$LINK: INCHIKEY XFONTJUFZVROJR-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-832
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.221 min
+MS$FOCUSED_ION: BASE_PEAK 827.4292
+MS$FOCUSED_ION: PRECURSOR_M/Z 795.4036
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0080-8900000000-4705d6255721b854b7a3
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  56.0495 C3H6N+ 1 56.0495 -0.2
+  69.0698 C5H9+ 1 69.0699 -0.64
+  70.0651 C4H8N+ 1 70.0651 -0.52
+  75.0553 C2H7N2O+ 1 75.0553 -0.48
+  83.0604 C4H7N2+ 1 83.0604 0.19
+  84.0443 C4H6NO+ 1 84.0444 -0.57
+  86.0964 C5H12N+ 1 86.0964 -0.77
+  91.0542 C7H7+ 1 91.0542 -0.48
+  101.0708 C4H9N2O+ 1 101.0709 -0.94
+  107.0491 C7H7O+ 1 107.0491 -0.73
+  110.0838 C6H10N2+ 1 110.0838 -0.3
+  119.049 C8H7O+ 1 119.0491 -1.14
+  124.0394 C6H6NO2+ 1 124.0393 0.58
+  129.0657 C5H9N2O2+ 1 129.0659 -1.15
+  132.0807 C9H10N+ 1 132.0808 -0.79
+  136.0755 C8H10NO+ 1 136.0757 -1.47
+  141.0657 C6H9N2O2+ 1 141.0659 -1.41
+  147.0438 C9H7O2+ 1 147.0441 -1.76
+  148.0755 C9H10NO+ 1 148.0757 -1.23
+  150.0912 C9H12NO+ 1 150.0913 -1.05
+  152.0341 C7H6NO3+ 1 152.0342 -0.66
+  160.0758 C10H10NO+ 1 160.0757 0.76
+  167.0813 C8H11N2O2+ 1 167.0815 -1.37
+  169.0607 C7H9N2O3+ 1 169.0608 -0.55
+  169.1335 C9H17N2O+ 1 169.1335 -0.02
+  178.0861 C10H12NO2+ 1 178.0863 -0.98
+  186.0871 C7H12N3O3+ 1 186.0873 -1.18
+  193.097 C10H13N2O2+ 1 193.0972 -0.9
+  196.1444 C10H18N3O+ 1 196.1444 -0.26
+  197.1282 C10H17N2O2+ 1 197.1285 -1.3
+  201.1399 CH21N4O7+ 1 201.1405 -3.02
+  221.0918 C11H13N2O3+ 1 221.0921 -1.06
+  223.1077 C11H15N2O3+ 1 223.1077 -0.21
+  237.1237 C12H17N2O3+ 1 237.1234 1.41
+  247.1435 C14H19N2O2+ 3 247.1441 -2.57
+PK$NUM_PEAK: 35
+PK$PEAK: m/z int. rel.int.
+  56.0495 400506.7 37
+  69.0698 287572.2 27
+  70.0651 7399880 695
+  75.0553 1565343.5 147
+  83.0604 309837 29
+  84.0443 10220633 961
+  86.0964 2390043.8 224
+  91.0542 510232.5 47
+  101.0708 5381344.5 506
+  107.0491 357056.7 33
+  110.0838 153278.4 14
+  119.049 622060.5 58
+  124.0394 114214.2 10
+  129.0657 1115286.2 104
+  132.0807 275432.4 25
+  136.0755 10623884 999
+  141.0657 273359.5 25
+  147.0438 456537.4 42
+  148.0755 1008094.4 94
+  150.0912 271227 25
+  152.0341 331488.2 31
+  160.0758 182917.9 17
+  167.0813 112300.8 10
+  169.0607 533761.2 50
+  169.1335 134082.3 12
+  178.0861 456954.8 42
+  186.0871 255102.8 23
+  193.097 743415.1 69
+  196.1444 376282.5 35
+  197.1282 1031546.9 96
+  201.1399 394413 37
+  221.0918 467169.8 43
+  223.1077 315510 29
+  237.1237 200475 18
+  247.1435 269423.2 25
+//
diff --git a/Eawag/MSBNK-EAWAG-EC216308.txt b/Eawag/MSBNK-EAWAG-EC216308.txt
new file mode 100644
index 0000000000..fec2b93670
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC216308.txt
@@ -0,0 +1,100 @@
+ACCESSION: MSBNK-EAWAG-EC216308
+RECORD_TITLE: Nostocyclopeptide Ncp-E1-L; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md18090442
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2163
+CH$NAME: Nostocyclopeptide Ncp-E1-L
+CH$NAME: 2-(2-(2-amino-3-(4-hydroxyphenyl)propanamido)acetamido)-N1-(1-((3-hydroxy-1-oxo-1-(2-((1-oxo-3-phenylpropan-2-yl)carbamoyl)pyrrolidin-1-yl)propan-2-yl)amino)-3-methyl-1-oxopentan-2-yl)pentanediamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C39H54N8O10
+CH$EXACT_MASS: 794.3962899
+CH$SMILES: O=C(NC(C(NC(C(NC(C(N1C(C(NC(CC2=CC=CC=C2)C([H])=O)=O)CCC1)=O)CO)=O)C(C)CC)=O)CCC(N)=O)CNC(C(CC3=CC=C(O)C=C3)N)=O
+CH$IUPAC: InChI=1S/C39H54N8O10/c1-3-23(2)34(46-36(54)29(15-16-32(41)51)44-33(52)20-42-35(53)28(40)19-25-11-13-27(50)14-12-25)38(56)45-30(22-49)39(57)47-17-7-10-31(47)37(55)43-26(21-48)18-24-8-5-4-6-9-24/h4-6,8-9,11-14,21,23,26,28-31,34,49-50H,3,7,10,15-20,22,40H2,1-2H3,(H2,41,51)(H,42,53)(H,43,55)(H,44,52)(H,45,56)(H,46,54)
+CH$LINK: PUBCHEM CID:155802414
+CH$LINK: INCHIKEY XFONTJUFZVROJR-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-832
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.221 min
+MS$FOCUSED_ION: BASE_PEAK 827.4292
+MS$FOCUSED_ION: PRECURSOR_M/Z 795.4036
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0080-9600000000-c0780fb96311fb4e8226
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  56.0494 C3H6N+ 1 56.0495 -0.61
+  60.0444 C2H6NO+ 1 60.0444 -0.27
+  69.0699 C5H9+ 1 69.0699 -0.31
+  70.0651 C4H8N+ 1 70.0651 -0.52
+  75.0553 C2H7N2O+ 1 75.0553 -0.38
+  83.0604 C4H7N2+ 1 83.0604 0.01
+  84.0443 C4H6NO+ 1 84.0444 -0.57
+  86.0964 C5H12N+ 1 86.0964 -0.77
+  91.0542 C7H7+ 1 91.0542 -0.56
+  96.0443 C5H6NO+ 1 96.0444 -0.63
+  101.0709 C4H9N2O+ 1 101.0709 -0.72
+  107.0491 C7H7O+ 1 107.0491 -0.59
+  110.0838 C6H10N2+ 1 110.0838 -0.65
+  119.049 C8H7O+ 1 119.0491 -0.95
+  121.0647 C8H9O+ 1 121.0648 -0.45
+  124.0391 C6H6NO2+ 1 124.0393 -1.69
+  129.0657 C5H9N2O2+ 1 129.0659 -0.91
+  132.0805 C9H10N+ 1 132.0808 -1.83
+  133.0645 C9H9O+ 1 133.0648 -2.49
+  136.0755 C8H10NO+ 1 136.0757 -1.47
+  141.0656 C6H9N2O2+ 1 141.0659 -1.52
+  147.0438 C9H7O2+ 1 147.0441 -1.86
+  148.0755 C9H10NO+ 1 148.0757 -1.34
+  152.034 C7H6NO3+ 1 152.0342 -1.27
+  160.0754 C10H10NO+ 1 160.0757 -2.1
+  169.0605 C7H9N2O3+ 1 169.0608 -1.36
+  178.0859 C10H12NO2+ 1 178.0863 -1.92
+  193.0967 C10H13N2O2+ 2 193.0972 -2.33
+  197.1282 C10H17N2O2+ 1 197.1285 -1.54
+PK$NUM_PEAK: 29
+PK$PEAK: m/z int. rel.int.
+  56.0494 812204.2 59
+  60.0444 662721.9 48
+  69.0699 491118.8 35
+  70.0651 8694833 633
+  75.0553 1501863.5 109
+  83.0604 534592.1 38
+  84.0443 13713860 999
+  86.0964 2525385.2 183
+  91.0542 1409041.6 102
+  96.0443 313929.9 22
+  101.0709 3041597 221
+  107.0491 448801.9 32
+  110.0838 202022.5 14
+  119.049 1492134.4 108
+  121.0647 228799.6 16
+  124.0391 261555.3 19
+  129.0657 1029317.4 74
+  132.0805 267143 19
+  133.0645 231453.3 16
+  136.0755 11656867 849
+  141.0656 235791 17
+  147.0438 451541.9 32
+  148.0755 997893.7 72
+  152.034 409026.1 29
+  160.0754 262379.1 19
+  169.0605 273155.1 19
+  178.0859 329455.1 23
+  193.0967 287649.5 20
+  197.1282 492298.6 35
+//
diff --git a/Eawag/MSBNK-EAWAG-EC216309.txt b/Eawag/MSBNK-EAWAG-EC216309.txt
new file mode 100644
index 0000000000..10650a45db
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC216309.txt
@@ -0,0 +1,92 @@
+ACCESSION: MSBNK-EAWAG-EC216309
+RECORD_TITLE: Nostocyclopeptide Ncp-E1-L; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md18090442
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2163
+CH$NAME: Nostocyclopeptide Ncp-E1-L
+CH$NAME: 2-(2-(2-amino-3-(4-hydroxyphenyl)propanamido)acetamido)-N1-(1-((3-hydroxy-1-oxo-1-(2-((1-oxo-3-phenylpropan-2-yl)carbamoyl)pyrrolidin-1-yl)propan-2-yl)amino)-3-methyl-1-oxopentan-2-yl)pentanediamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C39H54N8O10
+CH$EXACT_MASS: 794.3962899
+CH$SMILES: O=C(NC(C(NC(C(NC(C(N1C(C(NC(CC2=CC=CC=C2)C([H])=O)=O)CCC1)=O)CO)=O)C(C)CC)=O)CCC(N)=O)CNC(C(CC3=CC=C(O)C=C3)N)=O
+CH$IUPAC: InChI=1S/C39H54N8O10/c1-3-23(2)34(46-36(54)29(15-16-32(41)51)44-33(52)20-42-35(53)28(40)19-25-11-13-27(50)14-12-25)38(56)45-30(22-49)39(57)47-17-7-10-31(47)37(55)43-26(21-48)18-24-8-5-4-6-9-24/h4-6,8-9,11-14,21,23,26,28-31,34,49-50H,3,7,10,15-20,22,40H2,1-2H3,(H2,41,51)(H,42,53)(H,43,55)(H,44,52)(H,45,56)(H,46,54)
+CH$LINK: PUBCHEM CID:155802414
+CH$LINK: INCHIKEY XFONTJUFZVROJR-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-832
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.221 min
+MS$FOCUSED_ION: BASE_PEAK 827.4292
+MS$FOCUSED_ION: PRECURSOR_M/Z 795.4036
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-008i-9400000000-23f08bec3aa758346ed1
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  56.0494 C3H6N+ 1 56.0495 -1.09
+  60.0443 C2H6NO+ 1 60.0444 -0.78
+  69.0698 C5H9+ 1 69.0699 -0.97
+  70.0651 C4H8N+ 1 70.0651 -0.95
+  75.0552 C2H7N2O+ 1 75.0553 -1.09
+  83.0603 C4H7N2+ 1 83.0604 -0.64
+  84.0443 C4H6NO+ 1 84.0444 -1.03
+  86.0963 C5H12N+ 1 86.0964 -1.12
+  91.0541 C7H7+ 1 91.0542 -0.9
+  96.0443 C5H6NO+ 1 96.0444 -1.11
+  101.0708 C4H9N2O+ 1 101.0709 -1.17
+  107.049 C7H7O+ 1 107.0491 -0.88
+  110.0839 C6H10N2+ 1 110.0838 0.53
+  119.049 C8H7O+ 1 119.0491 -1.4
+  121.0648 C8H9O+ 1 121.0648 -0.2
+  124.0392 C6H6NO2+ 1 124.0393 -1.08
+  129.0657 C5H9N2O2+ 1 129.0659 -1.39
+  132.0805 C9H10N+ 1 132.0808 -2.18
+  133.0645 C9H9O+ 1 133.0648 -1.91
+  136.0754 C8H10NO+ 1 136.0757 -1.81
+  147.0438 C9H7O2+ 1 147.0441 -2.07
+  148.0755 C9H10NO+ 1 148.0757 -1.44
+  152.0339 C7H6NO3+ 1 152.0342 -2.07
+  160.0756 C10H10NO+ 1 160.0757 -0.29
+  178.086 C10H12NO2+ 1 178.0863 -1.49
+PK$NUM_PEAK: 25
+PK$PEAK: m/z int. rel.int.
+  56.0494 1232800 89
+  60.0443 630555.6 45
+  69.0698 629894.4 45
+  70.0651 8495100 614
+  75.0552 1125926.5 81
+  83.0603 516519.3 37
+  84.0443 13819974 999
+  86.0963 2050265.1 148
+  91.0541 3091118.8 223
+  96.0443 431251.7 31
+  101.0708 1263044.5 91
+  107.049 501328.8 36
+  110.0839 148747.1 10
+  119.049 2260611 163
+  121.0648 264771.7 19
+  124.0392 324236.6 23
+  129.0657 559007.9 40
+  132.0805 229946.2 16
+  133.0645 223577.8 16
+  136.0754 9467840 684
+  147.0438 345403.3 24
+  148.0755 671154.9 48
+  152.0339 325939.9 23
+  160.0756 192821.6 13
+  178.086 151373.3 10
+//
diff --git a/Eawag/MSBNK-EAWAG-EC216351.txt b/Eawag/MSBNK-EAWAG-EC216351.txt
new file mode 100644
index 0000000000..0c8d4536fd
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC216351.txt
@@ -0,0 +1,48 @@
+ACCESSION: MSBNK-EAWAG-EC216351
+RECORD_TITLE: Nostocyclopeptide Ncp-E1-L; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M-H]-; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md18090442
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2163
+CH$NAME: Nostocyclopeptide Ncp-E1-L
+CH$NAME: 2-(2-(2-amino-3-(4-hydroxyphenyl)propanamido)acetamido)-N1-(1-((3-hydroxy-1-oxo-1-(2-((1-oxo-3-phenylpropan-2-yl)carbamoyl)pyrrolidin-1-yl)propan-2-yl)amino)-3-methyl-1-oxopentan-2-yl)pentanediamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C39H54N8O10
+CH$EXACT_MASS: 794.3962899
+CH$SMILES: O=C(NC(C(NC(C(NC(C(N1C(C(NC(CC2=CC=CC=C2)C([H])=O)=O)CCC1)=O)CO)=O)C(C)CC)=O)CCC(N)=O)CNC(C(CC3=CC=C(O)C=C3)N)=O
+CH$IUPAC: InChI=1S/C39H54N8O10/c1-3-23(2)34(46-36(54)29(15-16-32(41)51)44-33(52)20-42-35(53)28(40)19-25-11-13-27(50)14-12-25)38(56)45-30(22-49)39(57)47-17-7-10-31(47)37(55)43-26(21-48)18-24-8-5-4-6-9-24/h4-6,8-9,11-14,21,23,26,28-31,34,49-50H,3,7,10,15-20,22,40H2,1-2H3,(H2,41,51)(H,42,53)(H,43,55)(H,44,52)(H,45,56)(H,46,54)
+CH$LINK: PUBCHEM CID:155802414
+CH$LINK: INCHIKEY XFONTJUFZVROJR-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-830
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.208 min
+MS$FOCUSED_ION: BASE_PEAK 793.3898
+MS$FOCUSED_ION: PRECURSOR_M/Z 793.389
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-03di-0000000900-fe5866a7bf4bd9128360
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  745.3694 C38H49N8O8- 1 745.3679 2.05
+  763.3785 C38H51N8O9- 1 763.3784 0.05
+  775.377 C39H51N8O9- 1 775.3784 -1.89
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  745.3694 149902.7 15
+  763.3785 9465869 999
+  775.377 160737.8 16
+//
diff --git a/Eawag/MSBNK-EAWAG-EC216352.txt b/Eawag/MSBNK-EAWAG-EC216352.txt
new file mode 100644
index 0000000000..e43aa10e96
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC216352.txt
@@ -0,0 +1,54 @@
+ACCESSION: MSBNK-EAWAG-EC216352
+RECORD_TITLE: Nostocyclopeptide Ncp-E1-L; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M-H]-; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md18090442
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2163
+CH$NAME: Nostocyclopeptide Ncp-E1-L
+CH$NAME: 2-(2-(2-amino-3-(4-hydroxyphenyl)propanamido)acetamido)-N1-(1-((3-hydroxy-1-oxo-1-(2-((1-oxo-3-phenylpropan-2-yl)carbamoyl)pyrrolidin-1-yl)propan-2-yl)amino)-3-methyl-1-oxopentan-2-yl)pentanediamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C39H54N8O10
+CH$EXACT_MASS: 794.3962899
+CH$SMILES: O=C(NC(C(NC(C(NC(C(N1C(C(NC(CC2=CC=CC=C2)C([H])=O)=O)CCC1)=O)CO)=O)C(C)CC)=O)CCC(N)=O)CNC(C(CC3=CC=C(O)C=C3)N)=O
+CH$IUPAC: InChI=1S/C39H54N8O10/c1-3-23(2)34(46-36(54)29(15-16-32(41)51)44-33(52)20-42-35(53)28(40)19-25-11-13-27(50)14-12-25)38(56)45-30(22-49)39(57)47-17-7-10-31(47)37(55)43-26(21-48)18-24-8-5-4-6-9-24/h4-6,8-9,11-14,21,23,26,28-31,34,49-50H,3,7,10,15-20,22,40H2,1-2H3,(H2,41,51)(H,42,53)(H,43,55)(H,44,52)(H,45,56)(H,46,54)
+CH$LINK: PUBCHEM CID:155802414
+CH$LINK: INCHIKEY XFONTJUFZVROJR-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-830
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.208 min
+MS$FOCUSED_ION: BASE_PEAK 793.3898
+MS$FOCUSED_ION: PRECURSOR_M/Z 793.389
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-03di-0000000900-5c54cbd18f8e81da68e0
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  236.103 C9H12N6O2- 2 236.1027 1.16
+  347.1353 C15H23O9- 3 347.1348 1.66
+  364.1628 C16H22N5O5- 4 364.1626 0.49
+  614.293 C29H40N7O8- 3 614.2944 -2.26
+  745.3683 C38H49N8O8- 1 745.3679 0.57
+  763.3784 C38H51N8O9- 1 763.3784 -0.03
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  236.103 90644.8 12
+  347.1353 356638.3 48
+  364.1628 97097.3 13
+  614.293 74861.3 10
+  745.3683 315429.6 42
+  763.3784 7336551.5 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC216353.txt b/Eawag/MSBNK-EAWAG-EC216353.txt
new file mode 100644
index 0000000000..3e2d7f41cd
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC216353.txt
@@ -0,0 +1,66 @@
+ACCESSION: MSBNK-EAWAG-EC216353
+RECORD_TITLE: Nostocyclopeptide Ncp-E1-L; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M-H]-; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md18090442
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2163
+CH$NAME: Nostocyclopeptide Ncp-E1-L
+CH$NAME: 2-(2-(2-amino-3-(4-hydroxyphenyl)propanamido)acetamido)-N1-(1-((3-hydroxy-1-oxo-1-(2-((1-oxo-3-phenylpropan-2-yl)carbamoyl)pyrrolidin-1-yl)propan-2-yl)amino)-3-methyl-1-oxopentan-2-yl)pentanediamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C39H54N8O10
+CH$EXACT_MASS: 794.3962899
+CH$SMILES: O=C(NC(C(NC(C(NC(C(N1C(C(NC(CC2=CC=CC=C2)C([H])=O)=O)CCC1)=O)CO)=O)C(C)CC)=O)CCC(N)=O)CNC(C(CC3=CC=C(O)C=C3)N)=O
+CH$IUPAC: InChI=1S/C39H54N8O10/c1-3-23(2)34(46-36(54)29(15-16-32(41)51)44-33(52)20-42-35(53)28(40)19-25-11-13-27(50)14-12-25)38(56)45-30(22-49)39(57)47-17-7-10-31(47)37(55)43-26(21-48)18-24-8-5-4-6-9-24/h4-6,8-9,11-14,21,23,26,28-31,34,49-50H,3,7,10,15-20,22,40H2,1-2H3,(H2,41,51)(H,42,53)(H,43,55)(H,44,52)(H,45,56)(H,46,54)
+CH$LINK: PUBCHEM CID:155802414
+CH$LINK: INCHIKEY XFONTJUFZVROJR-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-830
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.208 min
+MS$FOCUSED_ION: BASE_PEAK 793.3898
+MS$FOCUSED_ION: PRECURSOR_M/Z 793.389
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-03di-0012000900-5c9a2232c90cc0d92e39
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  219.0767 C9H9N5O2- 2 219.0762 2.2
+  223.1078 C9H13N5O2- 2 223.1075 1.56
+  236.1028 C9H12N6O2- 1 236.1027 0.45
+  347.1354 C15H23O9- 3 347.1348 1.83
+  364.1622 C16H22N5O5- 4 364.1626 -1.1
+  415.2347 C22H31N4O4- 5 415.2351 -0.81
+  460.2205 C22H30N5O6- 5 460.2202 0.76
+  508.2561 C27H34N5O5- 5 508.2565 -0.79
+  517.2406 C38H31NO- 6 517.2411 -0.92
+  702.3642 C39H50N4O8- 2 702.3634 1.19
+  745.3676 C38H49N8O8- 1 745.3679 -0.33
+  763.3784 C38H51N8O9- 1 763.3784 -0.03
+PK$NUM_PEAK: 12
+PK$PEAK: m/z int. rel.int.
+  219.0767 227675.1 42
+  223.1078 79573.3 14
+  236.1028 724266.3 135
+  347.1354 1039001.2 195
+  364.1622 869532.5 163
+  415.2347 162650.1 30
+  460.2205 125488 23
+  508.2561 72000.7 13
+  517.2406 122830 23
+  702.3642 57333.9 10
+  745.3676 566111.1 106
+  763.3784 5320791 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC216354.txt b/Eawag/MSBNK-EAWAG-EC216354.txt
new file mode 100644
index 0000000000..f29fa75686
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC216354.txt
@@ -0,0 +1,98 @@
+ACCESSION: MSBNK-EAWAG-EC216354
+RECORD_TITLE: Nostocyclopeptide Ncp-E1-L; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M-H]-; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md18090442
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2163
+CH$NAME: Nostocyclopeptide Ncp-E1-L
+CH$NAME: 2-(2-(2-amino-3-(4-hydroxyphenyl)propanamido)acetamido)-N1-(1-((3-hydroxy-1-oxo-1-(2-((1-oxo-3-phenylpropan-2-yl)carbamoyl)pyrrolidin-1-yl)propan-2-yl)amino)-3-methyl-1-oxopentan-2-yl)pentanediamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C39H54N8O10
+CH$EXACT_MASS: 794.3962899
+CH$SMILES: O=C(NC(C(NC(C(NC(C(N1C(C(NC(CC2=CC=CC=C2)C([H])=O)=O)CCC1)=O)CO)=O)C(C)CC)=O)CCC(N)=O)CNC(C(CC3=CC=C(O)C=C3)N)=O
+CH$IUPAC: InChI=1S/C39H54N8O10/c1-3-23(2)34(46-36(54)29(15-16-32(41)51)44-33(52)20-42-35(53)28(40)19-25-11-13-27(50)14-12-25)38(56)45-30(22-49)39(57)47-17-7-10-31(47)37(55)43-26(21-48)18-24-8-5-4-6-9-24/h4-6,8-9,11-14,21,23,26,28-31,34,49-50H,3,7,10,15-20,22,40H2,1-2H3,(H2,41,51)(H,42,53)(H,43,55)(H,44,52)(H,45,56)(H,46,54)
+CH$LINK: PUBCHEM CID:155802414
+CH$LINK: INCHIKEY XFONTJUFZVROJR-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-830
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.208 min
+MS$FOCUSED_ION: BASE_PEAK 793.3898
+MS$FOCUSED_ION: PRECURSOR_M/Z 793.389
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-03dr-0289002500-51fb2066896e8fc3b975
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  84.009 C3H2NO2- 1 84.0091 -1.57
+  123.0564 C6H7N2O- 1 123.0564 0.37
+  126.0199 C5H4NO3- 1 126.0197 2.22
+  127.0511 C5H7N2O2- 1 127.0513 -1.24
+  144.0773 C5H10N3O2- 1 144.0779 -3.8
+  153.0665 C7H9N2O2- 1 153.067 -2.88
+  166.0617 C7H8N3O2- 2 166.0622 -3.23
+  167.0456 C7H7N2O3- 2 167.0462 -3.68
+  169.0978 C8H13N2O2- 1 169.0983 -2.51
+  170.0928 C5H10N6O- 2 170.0922 3.67
+  179.0819 C7H9N5O- 2 179.0813 3.5
+  219.0765 C9H9N5O2- 2 219.0762 1.37
+  223.1076 C9H13N5O2- 1 223.1075 0.67
+  236.1029 C9H12N6O2- 2 236.1027 0.9
+  245.1284 C12H15N5O- 2 245.1282 0.98
+  297.1558 C12H25O8- 3 297.1555 0.98
+  302.1502 C14H18N6O2- 3 302.1497 1.82
+  347.1352 C15H23O9- 3 347.1348 1.4
+  364.1621 C16H22N5O5- 3 364.1626 -1.52
+  415.2345 C22H31N4O4- 5 415.2351 -1.4
+  460.2204 C22H30N5O6- 5 460.2202 0.43
+  535.2505 C36H31N4O- 6 535.2503 0.35
+  543.2935 C27H39N6O6- 4 543.2937 -0.36
+  613.3095 C29H41N8O7- 3 613.3104 -1.46
+  614.2944 C29H40N7O8- 4 614.2944 0.03
+  631.321 C29H43N8O8- 3 631.3209 0.1
+  745.3669 C38H49N8O8- 1 745.3679 -1.31
+  763.3783 C38H51N8O9- 1 763.3784 -0.19
+PK$NUM_PEAK: 28
+PK$PEAK: m/z int. rel.int.
+  84.009 58513.5 33
+  123.0564 28568.4 16
+  126.0199 52755.1 30
+  127.0511 103876.9 60
+  144.0773 38209.9 22
+  153.0665 30492.2 17
+  166.0617 182457.2 105
+  167.0456 79474.9 46
+  169.0978 82062.3 47
+  170.0928 75061.9 43
+  179.0819 152056.6 88
+  219.0765 501259.6 290
+  223.1076 105599.8 61
+  236.1029 1722602.1 999
+  245.1284 269950.9 156
+  297.1558 85097.3 49
+  302.1502 174814.8 101
+  347.1352 872074.7 505
+  364.1621 1677114.1 972
+  415.2345 201475.6 116
+  460.2204 68771.7 39
+  535.2505 67769.7 39
+  543.2935 141356 81
+  613.3095 101225.9 58
+  614.2944 329558 191
+  631.321 230805.8 133
+  745.3669 261497.2 151
+  763.3783 1404950.5 814
+//
diff --git a/Eawag/MSBNK-EAWAG-EC216355.txt b/Eawag/MSBNK-EAWAG-EC216355.txt
new file mode 100644
index 0000000000..f6f425e23f
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC216355.txt
@@ -0,0 +1,144 @@
+ACCESSION: MSBNK-EAWAG-EC216355
+RECORD_TITLE: Nostocyclopeptide Ncp-E1-L; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M-H]-; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md18090442
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2163
+CH$NAME: Nostocyclopeptide Ncp-E1-L
+CH$NAME: 2-(2-(2-amino-3-(4-hydroxyphenyl)propanamido)acetamido)-N1-(1-((3-hydroxy-1-oxo-1-(2-((1-oxo-3-phenylpropan-2-yl)carbamoyl)pyrrolidin-1-yl)propan-2-yl)amino)-3-methyl-1-oxopentan-2-yl)pentanediamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C39H54N8O10
+CH$EXACT_MASS: 794.3962899
+CH$SMILES: O=C(NC(C(NC(C(NC(C(N1C(C(NC(CC2=CC=CC=C2)C([H])=O)=O)CCC1)=O)CO)=O)C(C)CC)=O)CCC(N)=O)CNC(C(CC3=CC=C(O)C=C3)N)=O
+CH$IUPAC: InChI=1S/C39H54N8O10/c1-3-23(2)34(46-36(54)29(15-16-32(41)51)44-33(52)20-42-35(53)28(40)19-25-11-13-27(50)14-12-25)38(56)45-30(22-49)39(57)47-17-7-10-31(47)37(55)43-26(21-48)18-24-8-5-4-6-9-24/h4-6,8-9,11-14,21,23,26,28-31,34,49-50H,3,7,10,15-20,22,40H2,1-2H3,(H2,41,51)(H,42,53)(H,43,55)(H,44,52)(H,45,56)(H,46,54)
+CH$LINK: PUBCHEM CID:155802414
+CH$LINK: INCHIKEY XFONTJUFZVROJR-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-830
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.208 min
+MS$FOCUSED_ION: BASE_PEAK 793.3898
+MS$FOCUSED_ION: PRECURSOR_M/Z 793.389
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-00kr-0791000000-6faa432c41668ad7adb0
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  82.0298 C4H4NO- 1 82.0298 -0.43
+  84.009 C3H2NO2- 1 84.0091 -1.57
+  95.025 C4H3N2O- 1 95.0251 -0.4
+  111.0198 C4H3N2O2- 1 111.02 -2.2
+  113.0355 C4H5N2O2- 1 113.0357 -1.13
+  113.0718 C5H9N2O- 1 113.072 -1.68
+  114.0562 C5H8NO2- 1 114.0561 1.13
+  123.0565 C6H7N2O- 1 123.0564 0.55
+  126.0195 C5H4NO3- 1 126.0197 -1.54
+  127.0512 C5H7N2O2- 1 127.0513 -1.18
+  128.0464 C4H6N3O2- 1 128.0466 -1.48
+  129.1033 C6H13N2O- 1 129.1033 -0.52
+  130.062 C4H8N3O2- 1 130.0622 -1.41
+  134.0612 C8H8NO- 1 134.0611 0.18
+  140.0714 C7H10NO2- 1 140.0717 -2.07
+  144.0774 C5H10N3O2- 1 144.0779 -2.95
+  148.0766 C9H10NO- 1 148.0768 -1.26
+  153.0665 C7H9N2O2- 1 153.067 -2.69
+  154.0744 C7H10N2O2- 1 154.0748 -2.32
+  155.0821 C7H11N2O2- 1 155.0826 -3.53
+  166.0616 C7H8N3O2- 2 166.0622 -3.41
+  167.0457 C7H7N2O3- 2 167.0462 -3.31
+  169.0978 C8H13N2O2- 1 169.0983 -2.69
+  170.0928 C5H10N6O- 2 170.0922 3.58
+  174.0555 C10H8NO2- 2 174.0561 -3.38
+  179.0819 C7H9N5O- 2 179.0813 3.33
+  179.118 C8H13N5- 1 179.1176 1.74
+  181.0975 C9H13N2O2- 2 181.0983 -4.29
+  184.0723 C7H10N3O3- 1 184.0728 -2.29
+  186.1238 C6H14N6O- 1 186.1235 1.63
+  187.0836 C6H11N4O3- 1 187.0837 -0.15
+  196.1448 C10H18N3O- 2 196.1455 -3.78
+  201.0983 C6H17O7- 2 201.098 1.46
+  211.0949 C7H11N6O2- 1 211.0949 -0.18
+  219.0765 C9H9N5O2- 2 219.0762 1.44
+  222.1234 C9H14N6O- 1 222.1235 -0.23
+  223.1074 C9H13N5O2- 1 223.1075 -0.22
+  236.103 C9H12N6O2- 2 236.1027 1.16
+  239.1501 C10H23O6- 2 239.15 0.45
+  240.1345 C9H16N6O2- 2 240.134 2.14
+  245.1284 C12H15N5O- 2 245.1282 0.66
+  258.1198 C8H20NO8- 3 258.1194 1.2
+  262.1178 C11H14N6O2- 2 262.1184 -2.12
+  265.1658 C12H25O6- 3 265.1657 0.57
+  266.1497 C11H18N6O2- 2 266.1497 0.1
+  276.1338 C12H16N6O2- 2 276.134 -0.79
+  293.1247 C12H21O8- 3 293.1242 1.75
+  302.15 C14H18N6O2- 2 302.1497 1.11
+  314.1831 C13H24N5O4- 3 314.1834 -0.93
+  364.1623 C16H22N5O5- 4 364.1626 -0.93
+  614.2945 C29H40N7O8- 4 614.2944 0.13
+PK$NUM_PEAK: 51
+PK$PEAK: m/z int. rel.int.
+  82.0298 26266.8 11
+  84.009 147603.5 66
+  95.025 42388.6 19
+  111.0198 40959.9 18
+  113.0355 88164.4 39
+  113.0718 66565.7 29
+  114.0562 35089.7 15
+  123.0565 78924 35
+  126.0195 158519.7 71
+  127.0512 337368.8 151
+  128.0464 61428.7 27
+  129.1033 29503.9 13
+  130.062 231237.8 103
+  134.0612 69422.1 31
+  140.0714 31073.4 13
+  144.0774 150512.9 67
+  148.0766 27169.6 12
+  153.0665 333269 149
+  154.0744 205521 92
+  155.0821 36092.5 16
+  166.0616 958780.6 430
+  167.0457 108382.7 48
+  169.0978 201715.3 90
+  170.0928 332562 149
+  174.0555 33492.9 15
+  179.0819 490413.2 219
+  179.118 37608.9 16
+  181.0975 29205.5 13
+  184.0723 64063.4 28
+  186.1238 24482.5 10
+  187.0836 36135.4 16
+  196.1448 46733.7 20
+  201.0983 60750.5 27
+  211.0949 54828.8 24
+  219.0765 740955.8 332
+  222.1234 181020.6 81
+  223.1074 126699.2 56
+  236.103 2226969.5 999
+  239.1501 36939.4 16
+  240.1345 77489.9 34
+  245.1284 927459.2 416
+  258.1198 64927.3 29
+  262.1178 25350.4 11
+  265.1658 59165.5 26
+  266.1497 146619.9 65
+  276.1338 23452.4 10
+  293.1247 187729.4 84
+  302.15 225455.8 101
+  314.1831 22770.6 10
+  364.1623 635802.6 285
+  614.2945 53693.4 24
+//
diff --git a/Eawag/MSBNK-EAWAG-EC216356.txt b/Eawag/MSBNK-EAWAG-EC216356.txt
new file mode 100644
index 0000000000..6d03a2f0ae
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC216356.txt
@@ -0,0 +1,178 @@
+ACCESSION: MSBNK-EAWAG-EC216356
+RECORD_TITLE: Nostocyclopeptide Ncp-E1-L; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M-H]-; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md18090442
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2163
+CH$NAME: Nostocyclopeptide Ncp-E1-L
+CH$NAME: 2-(2-(2-amino-3-(4-hydroxyphenyl)propanamido)acetamido)-N1-(1-((3-hydroxy-1-oxo-1-(2-((1-oxo-3-phenylpropan-2-yl)carbamoyl)pyrrolidin-1-yl)propan-2-yl)amino)-3-methyl-1-oxopentan-2-yl)pentanediamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C39H54N8O10
+CH$EXACT_MASS: 794.3962899
+CH$SMILES: O=C(NC(C(NC(C(NC(C(N1C(C(NC(CC2=CC=CC=C2)C([H])=O)=O)CCC1)=O)CO)=O)C(C)CC)=O)CCC(N)=O)CNC(C(CC3=CC=C(O)C=C3)N)=O
+CH$IUPAC: InChI=1S/C39H54N8O10/c1-3-23(2)34(46-36(54)29(15-16-32(41)51)44-33(52)20-42-35(53)28(40)19-25-11-13-27(50)14-12-25)38(56)45-30(22-49)39(57)47-17-7-10-31(47)37(55)43-26(21-48)18-24-8-5-4-6-9-24/h4-6,8-9,11-14,21,23,26,28-31,34,49-50H,3,7,10,15-20,22,40H2,1-2H3,(H2,41,51)(H,42,53)(H,43,55)(H,44,52)(H,45,56)(H,46,54)
+CH$LINK: PUBCHEM CID:155802414
+CH$LINK: INCHIKEY XFONTJUFZVROJR-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-830
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.208 min
+MS$FOCUSED_ION: BASE_PEAK 793.3898
+MS$FOCUSED_ION: PRECURSOR_M/Z 793.389
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0v0a-1940000000-ce2e65222e0141a9d077
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  69.0457 C3H5N2- 1 69.0458 -1.99
+  71.0251 C2H3N2O- 1 71.0251 -0.44
+  73.0406 C2H5N2O- 1 73.0407 -1.71
+  74.0246 C2H4NO2- 1 74.0248 -1.77
+  82.0298 C4H4NO- 1 82.0298 -0.15
+  84.009 C3H2NO2- 1 84.0091 -0.66
+  85.0407 C3H5N2O- 1 85.0407 -0.52
+  91.0552 C7H7- 1 91.0553 -1.22
+  95.025 C4H3N2O- 1 95.0251 -0.65
+  97.0406 C4H5N2O- 1 97.0407 -1.05
+  99.0199 C3H3N2O2- 1 99.02 -0.8
+  106.0424 C7H6O- 1 106.0424 0.07
+  107.0502 C7H7O- 1 107.0502 -0.36
+  109.0406 C5H5N2O- 1 109.0407 -1.32
+  111.0198 C4H3N2O2- 1 111.02 -1.38
+  112.0516 C4H6N3O- 1 112.0516 -0.32
+  113.0355 C4H5N2O2- 1 113.0357 -1.27
+  113.0719 C5H9N2O- 1 113.072 -1.34
+  114.056 C5H8NO2- 1 114.0561 -0.68
+  119.0502 C8H7O- 1 119.0502 -0.23
+  123.0563 C6H7N2O- 1 123.0564 -0.44
+  124.0401 C6H6NO2- 1 124.0404 -2.31
+  125.0353 C5H5N2O2- 1 125.0357 -2.61
+  126.0195 C5H4NO3- 1 126.0197 -1.11
+  126.0669 C5H8N3O- 1 126.0673 -2.78
+  127.0511 C5H7N2O2- 1 127.0513 -1.6
+  128.0463 C4H6N3O2- 1 128.0466 -1.71
+  129.1032 C6H13N2O- 1 129.1033 -1.35
+  130.062 C4H8N3O2- 1 130.0622 -1.88
+  133.0656 C9H9O- 1 133.0659 -1.86
+  134.0608 C8H8NO- 1 134.0611 -2.43
+  141.1028 C7H13N2O- 1 141.1033 -3.67
+  144.0775 C5H10N3O2- 1 144.0779 -2.21
+  148.0763 C9H10NO- 1 148.0768 -3.52
+  149.0354 C7H5N2O2- 1 149.0357 -1.53
+  151.0872 C8H11N2O- 1 151.0877 -3.49
+  153.0666 C7H9N2O2- 1 153.067 -2.59
+  154.0744 C7H10N2O2- 1 154.0748 -2.62
+  158.061 C10H8NO- 1 158.0611 -1.18
+  162.0555 C9H8NO2- 2 162.0561 -3.43
+  163.0506 C8H7N2O2- 2 163.0513 -4.19
+  166.0616 C7H8N3O2- 2 166.0622 -3.32
+  169.0729 C6H9N4O2- 1 169.0731 -1.12
+  169.0977 C8H13N2O2- 2 169.0983 -3.05
+  170.0928 C5H10N6O- 2 170.0922 3.49
+  174.0552 C10H8NO2- 2 174.0561 -4.96
+  175.0872 C10H11N2O- 1 175.0877 -2.57
+  179.0819 C7H9N5O- 2 179.0813 3.84
+  184.0717 C5H8N6O2- 1 184.0714 1.27
+  186.124 C6H14N6O- 2 186.1235 2.69
+  187.0834 C6H11N4O3- 1 187.0837 -1.62
+  191.0819 C10H11N2O2- 2 191.0826 -3.9
+  196.1448 C10H18N3O- 2 196.1455 -3.55
+  201.0985 C6H17O7- 3 201.098 2.59
+  202.0504 C9H6N4O2- 2 202.0496 3.96
+  211.095 C7H11N6O2- 1 211.0949 0.69
+  219.0765 C9H9N5O2- 2 219.0762 1.51
+  222.1237 C9H14N6O- 1 222.1235 0.94
+  223.1081 C9H13N5O2- 2 223.1075 2.59
+  236.1029 C9H12N6O2- 2 236.1027 0.96
+  239.1503 C10H23O6- 3 239.15 1.34
+  245.1283 C12H15N5O- 2 245.1282 0.54
+  257.1611 C11H21N4O3- 3 257.1619 -3.14
+  265.1665 C12H25O6- 3 265.1657 3.1
+  266.1495 C11H18N6O2- 2 266.1497 -0.59
+  293.1245 C12H21O8- 3 293.1242 0.91
+  302.1494 C14H18N6O2- 2 302.1497 -0.81
+  364.1627 C16H22N5O5- 4 364.1626 0.16
+PK$NUM_PEAK: 68
+PK$PEAK: m/z int. rel.int.
+  69.0457 23581.5 19
+  71.0251 109327.7 88
+  73.0406 82470.8 66
+  74.0246 27093.7 21
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+  107.0502 104651.5 84
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+  113.0719 144585.8 116
+  114.056 107324.5 86
+  119.0502 89566.9 72
+  123.0563 138748 112
+  124.0401 31968.1 25
+  125.0353 45208.5 36
+  126.0195 150916.2 121
+  126.0669 18984 15
+  127.0511 343892.7 277
+  128.0463 166071.1 134
+  129.1032 76286.2 61
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+  133.0656 24026.3 19
+  134.0608 138444.4 111
+  141.1028 19235.7 15
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+  148.0763 75953.4 61
+  149.0354 39538.2 31
+  151.0872 49816.9 40
+  153.0666 697962.3 563
+  154.0744 863538 697
+  158.061 18926.5 15
+  162.0555 71472.6 57
+  163.0506 24135.2 19
+  166.0616 987444.4 797
+  169.0729 70543.2 56
+  169.0977 214250.7 173
+  170.0928 352497.7 284
+  174.0552 39521.9 31
+  175.0872 21092.7 17
+  179.0819 477900 385
+  184.0717 63009.7 50
+  186.124 73235.9 59
+  187.0834 110928.7 89
+  191.0819 46139.9 37
+  196.1448 72007.6 58
+  201.0985 62340.6 50
+  202.0504 24597.9 19
+  211.095 94354.5 76
+  219.0765 389929.6 314
+  222.1237 133686.7 107
+  223.1081 66973.1 54
+  236.1029 1236943.6 999
+  239.1503 81000.7 65
+  245.1283 795532.9 642
+  257.1611 38331 30
+  265.1665 80393.3 64
+  266.1495 185173.9 149
+  293.1245 110745.5 89
+  302.1494 58961.5 47
+  364.1627 38653.5 31
+//
diff --git a/Eawag/MSBNK-EAWAG-EC216357.txt b/Eawag/MSBNK-EAWAG-EC216357.txt
new file mode 100644
index 0000000000..2a28e104de
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC216357.txt
@@ -0,0 +1,182 @@
+ACCESSION: MSBNK-EAWAG-EC216357
+RECORD_TITLE: Nostocyclopeptide Ncp-E1-L; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M-H]-; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md18090442
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2163
+CH$NAME: Nostocyclopeptide Ncp-E1-L
+CH$NAME: 2-(2-(2-amino-3-(4-hydroxyphenyl)propanamido)acetamido)-N1-(1-((3-hydroxy-1-oxo-1-(2-((1-oxo-3-phenylpropan-2-yl)carbamoyl)pyrrolidin-1-yl)propan-2-yl)amino)-3-methyl-1-oxopentan-2-yl)pentanediamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C39H54N8O10
+CH$EXACT_MASS: 794.3962899
+CH$SMILES: O=C(NC(C(NC(C(NC(C(N1C(C(NC(CC2=CC=CC=C2)C([H])=O)=O)CCC1)=O)CO)=O)C(C)CC)=O)CCC(N)=O)CNC(C(CC3=CC=C(O)C=C3)N)=O
+CH$IUPAC: InChI=1S/C39H54N8O10/c1-3-23(2)34(46-36(54)29(15-16-32(41)51)44-33(52)20-42-35(53)28(40)19-25-11-13-27(50)14-12-25)38(56)45-30(22-49)39(57)47-17-7-10-31(47)37(55)43-26(21-48)18-24-8-5-4-6-9-24/h4-6,8-9,11-14,21,23,26,28-31,34,49-50H,3,7,10,15-20,22,40H2,1-2H3,(H2,41,51)(H,42,53)(H,43,55)(H,44,52)(H,45,56)(H,46,54)
+CH$LINK: PUBCHEM CID:155802414
+CH$LINK: INCHIKEY XFONTJUFZVROJR-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-830
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.208 min
+MS$FOCUSED_ION: BASE_PEAK 793.3898
+MS$FOCUSED_ION: PRECURSOR_M/Z 793.389
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0ue9-2910000000-81657aedfeff097ca4fd
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  69.046 C3H5N2- 1 69.0458 1.99
+  70.0299 C3H4NO- 1 70.0298 0.67
+  71.025 C2H3N2O- 1 71.0251 -1.19
+  73.0407 C2H5N2O- 1 73.0407 -0.87
+  80.0506 C5H6N- 1 80.0506 0.73
+  82.0297 C4H4NO- 1 82.0298 -1.08
+  83.0251 C3H3N2O- 1 83.0251 0.63
+  84.009 C3H2NO2- 1 84.0091 -0.93
+  85.0408 C3H5N2O- 1 85.0407 0.28
+  91.0553 C7H7- 1 91.0553 -0.54
+  95.0251 C4H3N2O- 1 95.0251 -0.24
+  97.0407 C4H5N2O- 1 97.0407 -0.19
+  99.02 C3H3N2O2- 1 99.02 0.05
+  106.0423 C7H6O- 1 106.0424 -1.44
+  107.0501 C7H7O- 1 107.0502 -0.93
+  109.0406 C5H5N2O- 1 109.0407 -1.53
+  110.0611 C6H8NO- 1 110.0611 -0.54
+  111.0199 C4H3N2O2- 1 111.02 -0.9
+  111.0562 C5H7N2O- 1 111.0564 -1.59
+  112.028 C4H4N2O2- 1 112.0278 1.3
+  112.0514 C4H6N3O- 1 112.0516 -2.49
+  113.0356 C4H5N2O2- 1 113.0357 -0.59
+  113.072 C5H9N2O- 1 113.072 -0.26
+  114.056 C5H8NO2- 1 114.0561 -0.61
+  119.0502 C8H7O- 1 119.0502 -0.3
+  123.0563 C6H7N2O- 1 123.0564 -0.75
+  124.0405 C6H6NO2- 1 124.0404 0.52
+  125.0355 C5H5N2O2- 1 125.0357 -0.96
+  125.072 C6H9N2O- 1 125.072 -0.11
+  126.0195 C5H4NO3- 1 126.0197 -1.72
+  126.0671 C5H8N3O- 1 126.0673 -1.08
+  127.0512 C5H7N2O2- 1 127.0513 -0.7
+  128.0463 C4H6N3O2- 1 128.0466 -2.19
+  129.103 C6H13N2O- 1 129.1033 -2.29
+  130.062 C4H8N3O2- 1 130.0622 -1.88
+  134.0607 C8H8NO- 1 134.0611 -3.12
+  139.0873 C7H11N2O- 1 139.0877 -2.94
+  140.0714 C7H10NO2- 1 140.0717 -2.39
+  141.1036 C7H13N2O- 1 141.1033 1.74
+  143.1188 C7H15N2O- 1 143.119 -1.18
+  144.0776 C5H10N3O2- 1 144.0779 -2
+  148.0761 C9H10NO- 2 148.0768 -4.76
+  149.0356 C7H5N2O2- 1 149.0357 -0.4
+  151.087 C8H11N2O- 2 151.0877 -4.29
+  152.0828 C7H10N3O- 1 152.0829 -0.89
+  153.0665 C7H9N2O2- 1 153.067 -2.69
+  154.0743 C7H10N2O2- 1 154.0748 -2.82
+  158.0607 C10H8NO- 1 158.0611 -2.53
+  162.0556 C9H8NO2- 1 162.0561 -2.87
+  166.0616 C7H8N3O2- 2 166.0622 -3.32
+  168.1136 C8H14N3O- 2 168.1142 -3.51
+  169.073 C6H9N4O2- 1 169.0731 -0.49
+  169.098 C8H13N2O2- 1 169.0983 -1.34
+  170.0926 C5H10N6O- 1 170.0922 2.86
+  174.056 C10H8NO2- 1 174.0561 -0.49
+  179.0821 C7H9N5O- 2 179.0813 4.78
+  179.1174 C8H13N5- 1 179.1176 -1.15
+  181.0981 C9H13N2O2- 1 181.0983 -0.92
+  186.1238 C6H14N6O- 1 186.1235 1.71
+  191.0823 C10H11N2O2- 1 191.0826 -1.66
+  196.1454 C10H18N3O- 1 196.1455 -0.82
+  198.1239 C7H14N6O- 2 198.1235 2.32
+  201.0987 C6H17O7- 3 201.098 3.43
+  211.0953 C7H11N6O2- 2 211.0949 1.99
+  219.076 C9H9N5O2- 1 219.0762 -0.58
+  222.124 C9H14N6O- 2 222.1235 2.45
+  225.1354 C9H21O6- 3 225.1344 4.54
+  236.1029 C9H12N6O2- 2 236.1027 0.77
+  239.1498 C9H17N7O- 3 239.15 -0.74
+  245.128 C12H15N5O- 3 245.1282 -0.77
+PK$NUM_PEAK: 70
+PK$PEAK: m/z int. rel.int.
+  69.046 29734.2 27
+  70.0299 22806.2 21
+  71.025 150639.1 141
+  73.0407 192921.2 180
+  80.0506 20733.9 19
+  82.0297 133730.4 125
+  83.0251 34018.7 31
+  84.009 560076.7 524
+  85.0408 91154.6 85
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+  97.0407 42717.4 40
+  99.02 60689.6 56
+  106.0423 63405.4 59
+  107.0501 135462.7 126
+  109.0406 63192.7 59
+  110.0611 36018 33
+  111.0199 177967.2 166
+  111.0562 16940.2 15
+  112.028 18575.4 17
+  112.0514 167408.8 156
+  113.0356 178850.6 167
+  113.072 187608.1 175
+  114.056 133945.3 125
+  119.0502 128636.5 120
+  123.0563 217634.1 203
+  124.0405 43328.5 40
+  125.0355 63516 59
+  125.072 25010.6 23
+  126.0195 98992.8 92
+  126.0671 32808.6 30
+  127.0512 261308.5 244
+  128.0463 137779.1 129
+  129.103 95150.4 89
+  130.062 761481.3 713
+  134.0607 140430.6 131
+  139.0873 78594 73
+  140.0714 45884 42
+  141.1036 36321.9 34
+  143.1188 27760.6 25
+  144.0776 96263.4 90
+  148.0761 114533.4 107
+  149.0356 54410 50
+  151.087 70810 66
+  152.0828 35401.6 33
+  153.0665 700023.1 655
+  154.0743 1066742.2 999
+  158.0607 32099.9 30
+  162.0556 68573.7 64
+  166.0616 470550.5 440
+  168.1136 35185.9 32
+  169.073 120977.2 113
+  169.098 141633.2 132
+  170.0926 132585.1 124
+  174.056 31074.2 29
+  179.0821 202167.3 189
+  179.1174 57219.4 53
+  181.0981 35244.4 33
+  186.1238 95375.9 89
+  191.0823 39256.8 36
+  196.1454 42956.9 40
+  198.1239 20592.1 19
+  201.0987 19729.9 18
+  211.0953 56468.4 52
+  219.076 109058.4 102
+  222.124 86534.3 81
+  225.1354 31592.7 29
+  236.1029 352109.2 329
+  239.1498 44566.4 41
+  245.128 256696.3 240
+//
diff --git a/Eawag/MSBNK-EAWAG-EC216358.txt b/Eawag/MSBNK-EAWAG-EC216358.txt
new file mode 100644
index 0000000000..4069484d78
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC216358.txt
@@ -0,0 +1,172 @@
+ACCESSION: MSBNK-EAWAG-EC216358
+RECORD_TITLE: Nostocyclopeptide Ncp-E1-L; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M-H]-; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md18090442
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2163
+CH$NAME: Nostocyclopeptide Ncp-E1-L
+CH$NAME: 2-(2-(2-amino-3-(4-hydroxyphenyl)propanamido)acetamido)-N1-(1-((3-hydroxy-1-oxo-1-(2-((1-oxo-3-phenylpropan-2-yl)carbamoyl)pyrrolidin-1-yl)propan-2-yl)amino)-3-methyl-1-oxopentan-2-yl)pentanediamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C39H54N8O10
+CH$EXACT_MASS: 794.3962899
+CH$SMILES: O=C(NC(C(NC(C(NC(C(N1C(C(NC(CC2=CC=CC=C2)C([H])=O)=O)CCC1)=O)CO)=O)C(C)CC)=O)CCC(N)=O)CNC(C(CC3=CC=C(O)C=C3)N)=O
+CH$IUPAC: InChI=1S/C39H54N8O10/c1-3-23(2)34(46-36(54)29(15-16-32(41)51)44-33(52)20-42-35(53)28(40)19-25-11-13-27(50)14-12-25)38(56)45-30(22-49)39(57)47-17-7-10-31(47)37(55)43-26(21-48)18-24-8-5-4-6-9-24/h4-6,8-9,11-14,21,23,26,28-31,34,49-50H,3,7,10,15-20,22,40H2,1-2H3,(H2,41,51)(H,42,53)(H,43,55)(H,44,52)(H,45,56)(H,46,54)
+CH$LINK: PUBCHEM CID:155802414
+CH$LINK: INCHIKEY XFONTJUFZVROJR-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-830
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.208 min
+MS$FOCUSED_ION: BASE_PEAK 793.3898
+MS$FOCUSED_ION: PRECURSOR_M/Z 793.389
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0f89-3900000000-0db31f77d33acabc6418
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  58.0299 C2H4NO- 1 58.0298 1.17
+  69.0458 C3H5N2- 1 69.0458 -0.89
+  70.0299 C3H4NO- 1 70.0298 1.21
+  71.025 C2H3N2O- 1 71.0251 -1.62
+  73.0407 C2H5N2O- 1 73.0407 -0.56
+  82.0298 C4H4NO- 1 82.0298 -0.25
+  83.0251 C3H3N2O- 1 83.0251 0.72
+  84.009 C3H2NO2- 1 84.0091 -0.75
+  85.0407 C3H5N2O- 1 85.0407 0.1
+  91.0551 C7H7- 1 91.0553 -2.3
+  95.0251 C4H3N2O- 1 95.0251 -0.16
+  99.0197 C3H3N2O2- 1 99.02 -2.96
+  99.0564 C4H7N2O- 1 99.0564 0.12
+  106.0424 C7H6O- 1 106.0424 -0.22
+  107.0501 C7H7O- 1 107.0502 -1.08
+  109.0407 C5H5N2O- 1 109.0407 -0.76
+  110.0612 C6H8NO- 1 110.0611 0.7
+  111.0199 C4H3N2O2- 1 111.02 -1.03
+  112.0516 C4H6N3O- 1 112.0516 -0.66
+  113.0356 C4H5N2O2- 1 113.0357 -0.12
+  113.0719 C5H9N2O- 1 113.072 -1.14
+  114.0559 C5H8NO2- 1 114.0561 -1.14
+  119.0501 C8H7O- 1 119.0502 -1.26
+  123.0562 C6H7N2O- 1 123.0564 -1.18
+  124.0407 C6H6NO2- 1 124.0404 2.3
+  125.0358 C5H5N2O2- 1 125.0357 1.05
+  125.0721 C6H9N2O- 1 125.072 0.5
+  126.0195 C5H4NO3- 1 126.0197 -1.72
+  126.0674 C5H8N3O- 1 126.0673 0.85
+  127.0512 C5H7N2O2- 1 127.0513 -0.82
+  128.0462 C4H6N3O2- 1 128.0466 -2.55
+  129.1033 C6H13N2O- 1 129.1033 -0.64
+  130.062 C4H8N3O2- 1 130.0622 -1.64
+  134.061 C8H8NO- 1 134.0611 -1.18
+  139.0513 C6H7N2O2- 1 139.0513 -0.35
+  139.0875 C7H11N2O- 1 139.0877 -1.62
+  140.0715 C7H10NO2- 1 140.0717 -1.3
+  140.0834 C6H10N3O- 1 140.0829 3.36
+  141.0668 C6H9N2O2- 1 141.067 -1.01
+  141.1034 C7H13N2O- 1 141.1033 0.76
+  143.1191 C7H15N2O- 1 143.119 0.84
+  144.0782 C5H10N3O2- 1 144.0779 2.55
+  148.0761 C9H10NO- 2 148.0768 -4.55
+  149.0353 C7H5N2O2- 1 149.0357 -2.14
+  151.0874 C8H11N2O- 1 151.0877 -1.67
+  152.0828 C7H10N3O- 1 152.0829 -1.19
+  153.0665 C7H9N2O2- 1 153.067 -3.08
+  154.0743 C7H10N2O2- 1 154.0748 -2.82
+  155.0825 C7H11N2O2- 1 155.0826 -0.78
+  162.0556 C9H8NO2- 1 162.0561 -2.87
+  166.0617 C7H8N3O2- 2 166.0622 -3.14
+  167.0824 C8H11N2O2- 1 167.0826 -1.08
+  169.0727 C6H9N4O2- 1 169.0731 -2.57
+  169.0974 C8H13N2O2- 2 169.0983 -4.95
+  170.0926 C5H10N6O- 1 170.0922 2.41
+  179.0818 C7H9N5O- 2 179.0813 3.24
+  181.0982 C9H13N2O2- 1 181.0983 -0.5
+  186.1239 C6H14N6O- 2 186.1235 2.36
+  187.0844 C6H11N4O3- 2 187.0837 3.93
+  191.0821 C10H11N2O2- 2 191.0826 -2.62
+  219.0772 C9H9N5O2- 2 219.0762 4.5
+  222.1233 C9H14N6O- 1 222.1235 -0.64
+  236.1027 C9H12N6O2- 1 236.1027 -0.2
+  245.1281 C12H15N5O- 3 245.1282 -0.58
+  266.1492 C11H18N6O2- 2 266.1497 -1.74
+PK$NUM_PEAK: 65
+PK$PEAK: m/z int. rel.int.
+  58.0299 28604.6 31
+  69.0458 38862.6 42
+  70.0299 30351.1 33
+  71.025 145828.7 160
+  73.0407 286982.7 316
+  82.0298 150695.7 166
+  83.0251 47230 52
+  84.009 906604.4 999
+  85.0407 113982.7 125
+  91.0551 113908.1 125
+  95.0251 113804.3 125
+  99.0197 52935.2 58
+  99.0564 22731.4 25
+  106.0424 67500.3 74
+  107.0501 135047.3 148
+  109.0407 63617.2 70
+  110.0612 26231.5 28
+  111.0199 172884.2 190
+  112.0516 193030.3 212
+  113.0356 141239.3 155
+  113.0719 159450.7 175
+  114.0559 146643.6 161
+  119.0501 155066 170
+  123.0562 227261.3 250
+  124.0407 27028 29
+  125.0358 56207.2 61
+  125.0721 31539.8 34
+  126.0195 39954.6 44
+  126.0674 21494.3 23
+  127.0512 170640.4 188
+  128.0462 66513 73
+  129.1033 112156.3 123
+  130.062 540347 595
+  134.061 154599.9 170
+  139.0513 29118.1 32
+  139.0875 94368.8 103
+  140.0715 32674.8 36
+  140.0834 22325.5 24
+  141.0668 14574.6 16
+  141.1034 34441.6 37
+  143.1191 35782.2 39
+  144.0782 36874.5 40
+  148.0761 116362.5 128
+  149.0353 58620 64
+  151.0874 55431.2 61
+  152.0828 31443.1 34
+  153.0665 613513.7 676
+  154.0743 814398.1 897
+  155.0825 57773 63
+  162.0556 68888 75
+  166.0617 205406.3 226
+  167.0824 29487.1 32
+  169.0727 104461.9 115
+  169.0974 106009.8 116
+  170.0926 69244.6 76
+  179.0818 75659.8 83
+  181.0982 29654.9 32
+  186.1239 45787.5 50
+  187.0844 21210.4 23
+  191.0821 11646.6 12
+  219.0772 34524.2 38
+  222.1233 41161.9 45
+  236.1027 70723.8 77
+  245.1281 61619.4 67
+  266.1492 50988.8 56
+//
diff --git a/Eawag/MSBNK-EAWAG-EC216359.txt b/Eawag/MSBNK-EAWAG-EC216359.txt
new file mode 100644
index 0000000000..a3ded6437c
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC216359.txt
@@ -0,0 +1,120 @@
+ACCESSION: MSBNK-EAWAG-EC216359
+RECORD_TITLE: Nostocyclopeptide Ncp-E1-L; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M-H]-; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md18090442
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2163
+CH$NAME: Nostocyclopeptide Ncp-E1-L
+CH$NAME: 2-(2-(2-amino-3-(4-hydroxyphenyl)propanamido)acetamido)-N1-(1-((3-hydroxy-1-oxo-1-(2-((1-oxo-3-phenylpropan-2-yl)carbamoyl)pyrrolidin-1-yl)propan-2-yl)amino)-3-methyl-1-oxopentan-2-yl)pentanediamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C39H54N8O10
+CH$EXACT_MASS: 794.3962899
+CH$SMILES: O=C(NC(C(NC(C(NC(C(N1C(C(NC(CC2=CC=CC=C2)C([H])=O)=O)CCC1)=O)CO)=O)C(C)CC)=O)CCC(N)=O)CNC(C(CC3=CC=C(O)C=C3)N)=O
+CH$IUPAC: InChI=1S/C39H54N8O10/c1-3-23(2)34(46-36(54)29(15-16-32(41)51)44-33(52)20-42-35(53)28(40)19-25-11-13-27(50)14-12-25)38(56)45-30(22-49)39(57)47-17-7-10-31(47)37(55)43-26(21-48)18-24-8-5-4-6-9-24/h4-6,8-9,11-14,21,23,26,28-31,34,49-50H,3,7,10,15-20,22,40H2,1-2H3,(H2,41,51)(H,42,53)(H,43,55)(H,44,52)(H,45,56)(H,46,54)
+CH$LINK: PUBCHEM CID:155802414
+CH$LINK: INCHIKEY XFONTJUFZVROJR-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-830
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.208 min
+MS$FOCUSED_ION: BASE_PEAK 793.3898
+MS$FOCUSED_ION: PRECURSOR_M/Z 793.389
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0f89-6900000000-8359d50b9933c0b7984e
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  58.0297 C2H4NO- 1 58.0298 -3.17
+  67.0302 C3H3N2- 1 67.0302 1.16
+  70.0297 C3H4NO- 1 70.0298 -1.62
+  71.0249 C2H3N2O- 1 71.0251 -2.59
+  73.0406 C2H5N2O- 1 73.0407 -1.18
+  82.0297 C4H4NO- 1 82.0298 -2.11
+  83.0251 C3H3N2O- 1 83.0251 0.08
+  84.009 C3H2NO2- 1 84.0091 -1.11
+  85.0406 C3H5N2O- 1 85.0407 -1.78
+  87.0563 C3H7N2O- 1 87.0564 -1.09
+  91.0553 C7H7- 1 91.0553 -0.04
+  95.0248 C4H3N2O- 1 95.0251 -2.49
+  99.0563 C4H7N2O- 1 99.0564 -1.11
+  107.0501 C7H7O- 1 107.0502 -1.29
+  109.0408 C5H5N2O- 1 109.0407 0.29
+  111.0199 C4H3N2O2- 1 111.02 -0.48
+  111.0564 C5H7N2O- 1 111.0564 0.54
+  112.0515 C4H6N3O- 1 112.0516 -1.2
+  113.0355 C4H5N2O2- 1 113.0357 -1.74
+  113.0719 C5H9N2O- 1 113.072 -0.87
+  114.0557 C5H8NO2- 1 114.0561 -2.68
+  119.0501 C8H7O- 1 119.0502 -1
+  123.0561 C6H7N2O- 1 123.0564 -2.67
+  124.04 C6H6NO2- 1 124.0404 -3.24
+  124.0515 C5H6N3O- 1 124.0516 -0.92
+  125.0356 C5H5N2O2- 1 125.0357 -0.53
+  127.051 C5H7N2O2- 1 127.0513 -2.44
+  129.103 C6H13N2O- 1 129.1033 -2.29
+  130.062 C4H8N3O2- 1 130.0622 -1.76
+  134.0608 C8H8NO- 1 134.0611 -2.21
+  140.0826 C6H10N3O- 1 140.0829 -2.63
+  143.1185 C7H15N2O- 1 143.119 -3.21
+  148.0762 C9H10NO- 1 148.0768 -4.04
+  151.0872 C8H11N2O- 1 151.0877 -2.98
+  153.0665 C7H9N2O2- 1 153.067 -2.78
+  154.0743 C7H10N2O2- 1 154.0748 -3.11
+  162.0555 C9H8NO2- 2 162.0561 -3.34
+  168.1138 C8H14N3O- 1 168.1142 -2.61
+  179.0816 C7H9N5O- 1 179.0813 1.88
+PK$NUM_PEAK: 39
+PK$PEAK: m/z int. rel.int.
+  58.0297 39541.9 37
+  67.0302 14023.6 13
+  70.0297 31565.2 30
+  71.0249 105882.3 101
+  73.0406 323783.4 310
+  82.0297 155209.1 148
+  83.0251 56297.8 53
+  84.009 1042370.9 999
+  85.0406 84036.2 80
+  87.0563 25790.3 24
+  91.0553 93232.2 89
+  95.0248 101342.7 97
+  99.0563 31969.7 30
+  107.0501 120077.3 115
+  109.0408 46468.6 44
+  111.0199 123108 117
+  111.0564 21101.7 20
+  112.0515 169512.4 162
+  113.0355 111737.7 107
+  113.0719 129025.5 123
+  114.0557 109251.1 104
+  119.0501 140862.2 135
+  123.0561 168662.3 161
+  124.04 17592.6 16
+  124.0515 24430 23
+  125.0356 56895 54
+  127.051 114257.3 109
+  129.103 82987.8 79
+  130.062 295629.2 283
+  134.0608 123279.9 118
+  140.0826 16800.3 16
+  143.1185 34093.1 32
+  148.0762 95625.6 91
+  151.0872 31805.7 30
+  153.0665 376659.3 360
+  154.0743 412688.5 395
+  162.0555 33486.2 32
+  168.1138 47595.7 45
+  179.0816 21850.1 20
+//
diff --git a/Eawag/MSBNK-EAWAG-EC216501.txt b/Eawag/MSBNK-EAWAG-EC216501.txt
new file mode 100644
index 0000000000..77aee68de6
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC216501.txt
@@ -0,0 +1,62 @@
+ACCESSION: MSBNK-EAWAG-EC216501
+RECORD_TITLE: Nostocyclopeptide Ncp-E2-L; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md18090442
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2165
+CH$NAME: Nostocyclopeptide Ncp-E2-L
+CH$NAME: 2-(2-(2-amino-3-(4-hydroxyphenyl)propanamido)acetamido)-N1-(1-((3-hydroxy-1-(2-((4-methyl-1-oxopentan-2-yl)carbamoyl)pyrrolidin-1-yl)-1-oxopropan-2-yl)amino)-3-methyl-1-oxopentan-2-yl)pentanediamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C36H56N8O10
+CH$EXACT_MASS: 760.41194
+CH$SMILES: O=C(NC(C(NC(C(NC(C(N1C(C(NC(CC(C)C)C([H])=O)=O)CCC1)=O)CO)=O)C(C)CC)=O)CCC(N)=O)CNC(C(CC2=CC=C(O)C=C2)N)=O
+CH$IUPAC: InChI=1S/C36H56N8O10/c1-5-21(4)31(35(53)42-27(19-46)36(54)44-14-6-7-28(44)34(52)40-23(18-45)15-20(2)3)43-33(51)26(12-13-29(38)48)41-30(49)17-39-32(50)25(37)16-22-8-10-24(47)11-9-22/h8-11,18,20-21,23,25-28,31,46-47H,5-7,12-17,19,37H2,1-4H3,(H2,38,48)(H,39,50)(H,40,52)(H,41,49)(H,42,53)(H,43,51)
+CH$LINK: PUBCHEM CID:155802014
+CH$LINK: INCHIKEY CLSDHBVHQKWEJR-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-798
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.988 min
+MS$FOCUSED_ION: BASE_PEAK 793.4446
+MS$FOCUSED_ION: PRECURSOR_M/Z 761.4192
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-03dl-0000010900-753abde44611c6ba06b9
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  195.149 C11H19N2O+ 1 195.1492 -0.84
+  300.1917 C14H26N3O4+ 5 300.1918 -0.34
+  349.1506 C16H21N4O5+ 5 349.1506 -0.03
+  434.2398 C21H32N5O5+ 4 434.2398 0.08
+  462.2346 C22H32N5O6+ 5 462.2347 -0.23
+  531.2559 C25H35N6O7+ 3 531.2562 -0.45
+  532.2406 C25H34N5O8+ 4 532.2402 0.68
+  549.2666 C25H37N6O8+ 2 549.2667 -0.32
+  743.4084 C36H55N8O9+ 1 743.4087 -0.33
+  761.4189 C36H57N8O10+ 1 761.4192 -0.41
+PK$NUM_PEAK: 10
+PK$PEAK: m/z int. rel.int.
+  195.149 1514552.5 41
+  300.1917 1152730.2 31
+  349.1506 785196.1 21
+  434.2398 507037.5 13
+  462.2346 3413701.8 93
+  531.2559 1468760.1 40
+  532.2406 1213310.9 33
+  549.2666 7416564 203
+  743.4084 23929818 655
+  761.4189 36471188 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC216502.txt b/Eawag/MSBNK-EAWAG-EC216502.txt
new file mode 100644
index 0000000000..2ef92de324
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC216502.txt
@@ -0,0 +1,94 @@
+ACCESSION: MSBNK-EAWAG-EC216502
+RECORD_TITLE: Nostocyclopeptide Ncp-E2-L; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md18090442
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2165
+CH$NAME: Nostocyclopeptide Ncp-E2-L
+CH$NAME: 2-(2-(2-amino-3-(4-hydroxyphenyl)propanamido)acetamido)-N1-(1-((3-hydroxy-1-(2-((4-methyl-1-oxopentan-2-yl)carbamoyl)pyrrolidin-1-yl)-1-oxopropan-2-yl)amino)-3-methyl-1-oxopentan-2-yl)pentanediamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C36H56N8O10
+CH$EXACT_MASS: 760.41194
+CH$SMILES: O=C(NC(C(NC(C(NC(C(N1C(C(NC(CC(C)C)C([H])=O)=O)CCC1)=O)CO)=O)C(C)CC)=O)CCC(N)=O)CNC(C(CC2=CC=C(O)C=C2)N)=O
+CH$IUPAC: InChI=1S/C36H56N8O10/c1-5-21(4)31(35(53)42-27(19-46)36(54)44-14-6-7-28(44)34(52)40-23(18-45)15-20(2)3)43-33(51)26(12-13-29(38)48)41-30(49)17-39-32(50)25(37)16-22-8-10-24(47)11-9-22/h8-11,18,20-21,23,25-28,31,46-47H,5-7,12-17,19,37H2,1-4H3,(H2,38,48)(H,39,50)(H,40,52)(H,41,49)(H,42,53)(H,43,51)
+CH$LINK: PUBCHEM CID:155802014
+CH$LINK: INCHIKEY CLSDHBVHQKWEJR-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-798
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.988 min
+MS$FOCUSED_ION: BASE_PEAK 793.4446
+MS$FOCUSED_ION: PRECURSOR_M/Z 761.4192
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-01ot-0314490700-ea852123fa1c2d1a697a
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  101.0709 C4H9N2O+ 1 101.0709 -0.34
+  167.1541 C10H19N2+ 1 167.1543 -1.01
+  185.0924 C8H13N2O3+ 1 185.0921 1.67
+  195.149 C11H19N2O+ 1 195.1492 -0.99
+  213.1596 C11H21N2O2+ 1 213.1598 -0.88
+  242.1503 C11H20N3O3+ 2 242.1499 1.75
+  299.1711 C13H23N4O4+ 3 299.1714 -0.8
+  300.1917 C14H26N3O4+ 5 300.1918 -0.24
+  311.1709 C14H23N4O4+ 3 311.1714 -1.44
+  329.1825 C14H25N4O5+ 3 329.1819 1.69
+  349.1506 C16H21N4O5+ 5 349.1506 -0.21
+  434.2398 C21H32N5O5+ 4 434.2398 0.08
+  436.1829 C19H26N5O7+ 5 436.1827 0.49
+  462.2347 C22H32N5O6+ 5 462.2347 0.04
+  469.2087 C24H29N4O6+ 6 469.2082 1.15
+  486.2344 C24H32N5O6+ 5 486.2347 -0.68
+  514.2295 C25H32N5O7+ 4 514.2296 -0.26
+  521.2711 C24H37N6O7+ 5 521.2718 -1.35
+  531.2561 C25H35N6O7+ 3 531.2562 -0.22
+  532.2404 C25H34N5O8+ 4 532.2402 0.45
+  541.3346 C25H45N6O7+ 4 541.3344 0.24
+  549.2668 C25H37N6O8+ 4 549.2667 0.13
+  580.3457 C27H46N7O7+ 4 580.3453 0.72
+  725.3974 C36H53N8O8+ 1 725.3981 -1.01
+  743.4088 C36H55N8O9+ 1 743.4087 0.24
+  761.4192 C36H57N8O10+ 1 761.4192 -0.01
+PK$NUM_PEAK: 26
+PK$PEAK: m/z int. rel.int.
+  101.0709 1115702.6 84
+  167.1541 326897.6 24
+  185.0924 170096.7 12
+  195.149 8213069 619
+  213.1596 2194380 165
+  242.1503 227411.4 17
+  299.1711 511608.5 38
+  300.1917 4527694 341
+  311.1709 133038.3 10
+  329.1825 387857.2 29
+  349.1506 6871146 517
+  434.2398 2560851 193
+  436.1829 954984.1 71
+  462.2347 6667532.5 502
+  469.2087 755600.9 56
+  486.2344 611701.3 46
+  514.2295 2871595.5 216
+  521.2711 1210619 91
+  531.2561 4442964.5 334
+  532.2404 4717343.5 355
+  541.3346 640138.8 48
+  549.2668 11568979 871
+  580.3457 163105.7 12
+  725.3974 995488.1 75
+  743.4088 13254403 999
+  761.4192 6362015.5 479
+//
diff --git a/Eawag/MSBNK-EAWAG-EC216503.txt b/Eawag/MSBNK-EAWAG-EC216503.txt
new file mode 100644
index 0000000000..44e3923f4b
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC216503.txt
@@ -0,0 +1,136 @@
+ACCESSION: MSBNK-EAWAG-EC216503
+RECORD_TITLE: Nostocyclopeptide Ncp-E2-L; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md18090442
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2165
+CH$NAME: Nostocyclopeptide Ncp-E2-L
+CH$NAME: 2-(2-(2-amino-3-(4-hydroxyphenyl)propanamido)acetamido)-N1-(1-((3-hydroxy-1-(2-((4-methyl-1-oxopentan-2-yl)carbamoyl)pyrrolidin-1-yl)-1-oxopropan-2-yl)amino)-3-methyl-1-oxopentan-2-yl)pentanediamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C36H56N8O10
+CH$EXACT_MASS: 760.41194
+CH$SMILES: O=C(NC(C(NC(C(NC(C(N1C(C(NC(CC(C)C)C([H])=O)=O)CCC1)=O)CO)=O)C(C)CC)=O)CCC(N)=O)CNC(C(CC2=CC=C(O)C=C2)N)=O
+CH$IUPAC: InChI=1S/C36H56N8O10/c1-5-21(4)31(35(53)42-27(19-46)36(54)44-14-6-7-28(44)34(52)40-23(18-45)15-20(2)3)43-33(51)26(12-13-29(38)48)41-30(49)17-39-32(50)25(37)16-22-8-10-24(47)11-9-22/h8-11,18,20-21,23,25-28,31,46-47H,5-7,12-17,19,37H2,1-4H3,(H2,38,48)(H,39,50)(H,40,52)(H,41,49)(H,42,53)(H,43,51)
+CH$LINK: PUBCHEM CID:155802014
+CH$LINK: INCHIKEY CLSDHBVHQKWEJR-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-798
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.988 min
+MS$FOCUSED_ION: BASE_PEAK 793.4446
+MS$FOCUSED_ION: PRECURSOR_M/Z 761.4192
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0002-0639450000-6ab409f85596ca0a2220
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  84.0444 C4H6NO+ 1 84.0444 -0.03
+  86.0965 C5H12N+ 1 86.0964 1.18
+  101.0709 C4H9N2O+ 1 101.0709 -0.57
+  129.0661 C5H9N2O2+ 1 129.0659 2.04
+  136.0755 C8H10NO+ 1 136.0757 -1.25
+  157.0971 C7H13N2O2+ 1 157.0972 -0.27
+  167.1541 C10H19N2+ 1 167.1543 -1.01
+  185.0919 C8H13N2O3+ 1 185.0921 -0.72
+  186.0873 C7H12N3O3+ 1 186.0873 -0.11
+  195.149 C11H19N2O+ 1 195.1492 -0.76
+  201.1236 C9H17N2O3+ 1 201.1234 1.24
+  213.1596 C11H21N2O2+ 1 213.1598 -0.73
+  214.155 C10H20N3O2+ 1 214.155 0.01
+  221.0918 C11H13N2O3+ 2 221.0921 -1.2
+  238.1185 C11H16N3O3+ 1 238.1186 -0.31
+  242.1495 C11H20N3O3+ 2 242.1499 -1.66
+  251.1018 C12H15N2O4+ 2 251.1026 -3.39
+  273.087 C14H13N2O4+ 4 273.087 -0.02
+  299.1711 C13H23N4O4+ 3 299.1714 -0.8
+  300.1918 C14H26N3O4+ 5 300.1918 -0.04
+  311.171 C14H23N4O4+ 3 311.1714 -1.24
+  312.1551 C14H22N3O5+ 2 312.1554 -0.87
+  321.1561 C15H21N4O4+ 3 321.1557 1.16
+  329.182 C14H25N4O5+ 5 329.1819 0.21
+  349.1505 C16H21N4O5+ 5 349.1506 -0.29
+  368.1923 C16H26N5O5+ 3 368.1928 -1.43
+  386.2034 C16H28N5O6+ 5 386.2034 0.05
+  391.1613 C18H23N4O6+ 5 391.1612 0.27
+  401.1457 C19H21N4O6+ 5 401.1456 0.41
+  417.2131 C21H29N4O5+ 5 417.2132 -0.39
+  429.2125 C23H25N8O+ 6 429.2146 -4.89
+  434.2399 C21H32N5O5+ 4 434.2398 0.22
+  436.1826 C19H26N5O7+ 5 436.1827 -0.07
+  438.2347 C22H34N2O7+ 5 438.2361 -3.07
+  462.2346 C22H32N5O6+ 5 462.2347 -0.16
+  469.2083 C24H29N4O6+ 5 469.2082 0.37
+  486.2348 C24H32N5O6+ 4 486.2347 0.2
+  504.2457 C24H34N5O7+ 5 504.2453 0.88
+  514.2296 C25H32N5O7+ 3 514.2296 -0.14
+  521.272 C24H37N6O7+ 5 521.2718 0.29
+  531.2559 C25H35N6O7+ 3 531.2562 -0.45
+  532.2404 C25H34N5O8+ 4 532.2402 0.45
+  541.3336 C25H45N6O7+ 4 541.3344 -1.57
+  549.2671 C25H37N6O8+ 4 549.2667 0.57
+  580.3449 C27H46N7O7+ 3 580.3453 -0.75
+  725.3966 C36H53N8O8+ 1 725.3981 -2.02
+  743.4082 C36H55N8O9+ 1 743.4087 -0.66
+PK$NUM_PEAK: 47
+PK$PEAK: m/z int. rel.int.
+  84.0444 514493.7 29
+  86.0965 339318.4 19
+  101.0709 5844486 336
+  129.0661 384825 22
+  136.0755 964523.1 55
+  157.0971 180288.8 10
+  167.1541 1601558.5 92
+  185.0919 943539.9 54
+  186.0873 922691.1 53
+  195.149 10679333 615
+  201.1236 479440.2 27
+  213.1596 5987469.5 345
+  214.155 483689.7 27
+  221.0918 584920.9 33
+  238.1185 593311.2 34
+  242.1495 599940.2 34
+  251.1018 523746.7 30
+  273.087 1502668.4 86
+  299.1711 1097131.2 63
+  300.1918 6823130.5 393
+  311.171 669427.2 38
+  312.1551 618935.4 35
+  321.1561 941754.1 54
+  329.182 1006222.9 57
+  349.1505 17333384 999
+  368.1923 604637.8 34
+  386.2034 669938.8 38
+  391.1613 1692109.1 97
+  401.1457 1789313.5 103
+  417.2131 807226.5 46
+  429.2125 535330.2 30
+  434.2399 3536603.2 203
+  436.1826 1950703.5 112
+  438.2347 351277.3 20
+  462.2346 3783876.5 218
+  469.2083 1995907.9 115
+  486.2348 1391286.8 80
+  504.2457 2261417.5 130
+  514.2296 3014169.8 173
+  521.272 1132428.4 65
+  531.2559 2625285.2 151
+  532.2404 3313675.2 190
+  541.3336 305647.1 17
+  549.2671 5041949.5 290
+  580.3449 275040.2 15
+  725.3966 710744.1 40
+  743.4082 2260047 130
+//
diff --git a/Eawag/MSBNK-EAWAG-EC216504.txt b/Eawag/MSBNK-EAWAG-EC216504.txt
new file mode 100644
index 0000000000..479a15da00
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC216504.txt
@@ -0,0 +1,154 @@
+ACCESSION: MSBNK-EAWAG-EC216504
+RECORD_TITLE: Nostocyclopeptide Ncp-E2-L; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md18090442
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2165
+CH$NAME: Nostocyclopeptide Ncp-E2-L
+CH$NAME: 2-(2-(2-amino-3-(4-hydroxyphenyl)propanamido)acetamido)-N1-(1-((3-hydroxy-1-(2-((4-methyl-1-oxopentan-2-yl)carbamoyl)pyrrolidin-1-yl)-1-oxopropan-2-yl)amino)-3-methyl-1-oxopentan-2-yl)pentanediamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C36H56N8O10
+CH$EXACT_MASS: 760.41194
+CH$SMILES: O=C(NC(C(NC(C(NC(C(N1C(C(NC(CC(C)C)C([H])=O)=O)CCC1)=O)CO)=O)C(C)CC)=O)CCC(N)=O)CNC(C(CC2=CC=C(O)C=C2)N)=O
+CH$IUPAC: InChI=1S/C36H56N8O10/c1-5-21(4)31(35(53)42-27(19-46)36(54)44-14-6-7-28(44)34(52)40-23(18-45)15-20(2)3)43-33(51)26(12-13-29(38)48)41-30(49)17-39-32(50)25(37)16-22-8-10-24(47)11-9-22/h8-11,18,20-21,23,25-28,31,46-47H,5-7,12-17,19,37H2,1-4H3,(H2,38,48)(H,39,50)(H,40,52)(H,41,49)(H,42,53)(H,43,51)
+CH$LINK: PUBCHEM CID:155802014
+CH$LINK: INCHIKEY CLSDHBVHQKWEJR-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-798
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.988 min
+MS$FOCUSED_ION: BASE_PEAK 793.4446
+MS$FOCUSED_ION: PRECURSOR_M/Z 761.4192
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0f6t-0869210000-cca55fe99682674667e5
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  70.0652 C4H8N+ 1 70.0651 0.46
+  84.0444 C4H6NO+ 1 84.0444 0.06
+  86.0965 C5H12N+ 1 86.0964 0.38
+  101.0709 C4H9N2O+ 1 101.0709 -0.41
+  129.0658 C5H9N2O2+ 1 129.0659 -0.44
+  136.0756 C8H10NO+ 1 136.0757 -0.57
+  157.0971 C7H13N2O2+ 1 157.0972 -0.07
+  167.1542 C10H19N2+ 1 167.1543 -0.56
+  185.092 C8H13N2O3+ 1 185.0921 -0.55
+  186.0872 C7H12N3O3+ 1 186.0873 -0.52
+  193.0975 C10H13N2O2+ 1 193.0972 1.71
+  195.1491 C11H19N2O+ 1 195.1492 -0.6
+  196.1443 C10H18N3O+ 1 196.1444 -0.5
+  197.1283 C10H17N2O2+ 1 197.1285 -0.76
+  201.1231 C9H17N2O3+ 1 201.1234 -1.26
+  205.0971 C11H13N2O2+ 1 205.0972 -0.27
+  213.1596 C11H21N2O2+ 1 213.1598 -0.8
+  214.155 C10H20N3O2+ 1 214.155 -0.06
+  221.0919 C11H13N2O3+ 1 221.0921 -0.65
+  223.1075 C11H15N2O3+ 1 223.1077 -0.96
+  225.1226 C11H17N2O3+ 2 225.1234 -3.57
+  238.1185 C11H16N3O3+ 1 238.1186 -0.5
+  242.1499 C11H20N3O3+ 1 242.1499 0.11
+  245.0919 C13H13N2O3+ 2 245.0921 -0.58
+  251.1028 C12H15N2O4+ 2 251.1026 0.56
+  254.1498 C12H20N3O3+ 2 254.1499 -0.58
+  273.0868 C14H13N2O4+ 3 273.087 -0.58
+  280.1295 C13H18N3O4+ 3 280.1292 1.27
+  290.1131 C14H16N3O4+ 3 290.1135 -1.34
+  299.1719 C13H23N4O4+ 3 299.1714 1.75
+  300.1918 C14H26N3O4+ 5 300.1918 0.17
+  301.155 C17H21N2O3+ 2 301.1547 1.1
+  304.1293 C15H18N3O4+ 5 304.1292 0.3
+  311.1712 C14H23N4O4+ 5 311.1714 -0.46
+  312.1554 C14H22N3O5+ 4 312.1554 0.11
+  321.1556 C15H21N4O4+ 5 321.1557 -0.45
+  325.1503 C14H21N4O5+ 3 325.1506 -1.05
+  329.1824 C14H25N4O5+ 3 329.1819 1.5
+  349.1506 C16H21N4O5+ 5 349.1506 -0.12
+  351.1659 C15H27O9+ 5 351.165 2.75
+  368.1934 C16H26N5O5+ 2 368.1928 1.63
+  369.1778 C17H21N8O2+ 4 369.1782 -1.1
+  386.2033 C16H28N5O6+ 5 386.2034 -0.27
+  391.1613 C18H23N4O6+ 5 391.1612 0.19
+  401.1458 C19H21N4O6+ 5 401.1456 0.48
+  417.2126 C21H29N4O5+ 6 417.2132 -1.48
+  429.2134 C23H25N8O+ 5 429.2146 -2.83
+  434.2401 C21H32N5O5+ 4 434.2398 0.65
+  462.2347 C22H32N5O6+ 5 462.2347 -0.1
+  469.2085 C24H29N4O6+ 5 469.2082 0.69
+  486.2343 C24H32N5O6+ 5 486.2347 -0.81
+  504.2453 C24H34N5O7+ 4 504.2453 -0.03
+  514.2299 C25H32N5O7+ 4 514.2296 0.45
+  521.2713 C24H37N6O7+ 4 521.2718 -0.99
+  532.2403 C25H34N5O8+ 4 532.2402 0.22
+  549.267 C25H37N6O8+ 4 549.2667 0.46
+PK$NUM_PEAK: 56
+PK$PEAK: m/z int. rel.int.
+  70.0652 995467.8 59
+  84.0444 1722653.4 103
+  86.0965 901795.4 54
+  101.0709 13952458 838
+  129.0658 336397 20
+  136.0756 3356854 201
+  157.0971 1037343 62
+  167.1542 2678176.5 160
+  185.092 1978545.9 118
+  186.0872 2113370.5 127
+  193.0975 280743 16
+  195.1491 6366496.5 382
+  196.1443 220080.2 13
+  197.1283 730273.8 43
+  201.1231 1073674.5 64
+  205.0971 186392.8 11
+  213.1596 8023093.5 482
+  214.155 878551.9 52
+  221.0919 2108645.8 126
+  223.1075 670045.1 40
+  225.1226 329134.6 19
+  238.1185 2081984.2 125
+  242.1499 699418.1 42
+  245.0919 576153.7 34
+  251.1028 987388.2 59
+  254.1498 1012881.6 60
+  273.0868 2773283.8 166
+  280.1295 189990.8 11
+  290.1131 580829.2 34
+  299.1719 789741.6 47
+  300.1918 5027314.5 302
+  301.155 582227.1 34
+  304.1293 611561.5 36
+  311.1712 1156617.9 69
+  312.1554 1386088.6 83
+  321.1556 1890154.1 113
+  325.1503 604324.7 36
+  329.1824 1026152.1 61
+  349.1506 16621027 999
+  351.1659 630274.8 37
+  368.1934 698351.6 41
+  369.1778 533282.8 32
+  386.2033 993917.1 59
+  391.1613 2262869 136
+  401.1458 1140627.8 68
+  417.2126 1049922.8 63
+  429.2134 484734.4 29
+  434.2401 1695142.8 101
+  462.2347 1277636.6 76
+  469.2085 1321564.9 79
+  486.2343 883762.5 53
+  504.2453 1295219.2 77
+  514.2299 1030464.9 61
+  521.2713 319014 19
+  532.2403 854407.5 51
+  549.267 1016019.1 61
+//
diff --git a/Eawag/MSBNK-EAWAG-EC216505.txt b/Eawag/MSBNK-EAWAG-EC216505.txt
new file mode 100644
index 0000000000..8f40e74a06
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC216505.txt
@@ -0,0 +1,146 @@
+ACCESSION: MSBNK-EAWAG-EC216505
+RECORD_TITLE: Nostocyclopeptide Ncp-E2-L; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md18090442
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2165
+CH$NAME: Nostocyclopeptide Ncp-E2-L
+CH$NAME: 2-(2-(2-amino-3-(4-hydroxyphenyl)propanamido)acetamido)-N1-(1-((3-hydroxy-1-(2-((4-methyl-1-oxopentan-2-yl)carbamoyl)pyrrolidin-1-yl)-1-oxopropan-2-yl)amino)-3-methyl-1-oxopentan-2-yl)pentanediamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C36H56N8O10
+CH$EXACT_MASS: 760.41194
+CH$SMILES: O=C(NC(C(NC(C(NC(C(N1C(C(NC(CC(C)C)C([H])=O)=O)CCC1)=O)CO)=O)C(C)CC)=O)CCC(N)=O)CNC(C(CC2=CC=C(O)C=C2)N)=O
+CH$IUPAC: InChI=1S/C36H56N8O10/c1-5-21(4)31(35(53)42-27(19-46)36(54)44-14-6-7-28(44)34(52)40-23(18-45)15-20(2)3)43-33(51)26(12-13-29(38)48)41-30(49)17-39-32(50)25(37)16-22-8-10-24(47)11-9-22/h8-11,18,20-21,23,25-28,31,46-47H,5-7,12-17,19,37H2,1-4H3,(H2,38,48)(H,39,50)(H,40,52)(H,41,49)(H,42,53)(H,43,51)
+CH$LINK: PUBCHEM CID:155802014
+CH$LINK: INCHIKEY CLSDHBVHQKWEJR-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-798
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.988 min
+MS$FOCUSED_ION: BASE_PEAK 793.4446
+MS$FOCUSED_ION: PRECURSOR_M/Z 761.4192
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0udr-2941000000-6ad81cbc29995d520813
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  60.0444 C2H6NO+ 1 60.0444 -0.08
+  70.0651 C4H8N+ 1 70.0651 -0.19
+  75.0553 C2H7N2O+ 1 75.0553 -0.48
+  84.0444 C4H6NO+ 1 84.0444 -0.12
+  86.0964 C5H12N+ 1 86.0964 -0.24
+  101.0709 C4H9N2O+ 1 101.0709 -0.72
+  107.0492 C7H7O+ 1 107.0491 0.34
+  116.1069 C6H14NO+ 1 116.107 -1.18
+  129.0655 C5H9N2O2+ 1 129.0659 -2.57
+  136.0755 C8H10NO+ 1 136.0757 -1.13
+  141.066 C6H9N2O2+ 1 141.0659 0.97
+  147.0438 C9H7O2+ 1 147.0441 -1.76
+  148.0758 C9H10NO+ 1 148.0757 0.62
+  157.097 C7H13N2O2+ 1 157.0972 -0.95
+  167.0449 C7H7N2O3+ 1 167.0451 -1.13
+  167.1541 C10H19N2+ 1 167.1543 -0.92
+  169.0607 C7H9N2O3+ 1 169.0608 -0.28
+  178.0859 C10H12NO2+ 1 178.0863 -2.26
+  185.092 C8H13N2O3+ 1 185.0921 -0.47
+  186.0871 C7H12N3O3+ 1 186.0873 -0.93
+  193.0972 C10H13N2O2+ 1 193.0972 0.2
+  195.1491 C11H19N2O+ 1 195.1492 -0.6
+  196.1445 C10H18N3O+ 1 196.1444 0.36
+  197.1283 C10H17N2O2+ 1 197.1285 -0.61
+  201.1233 C9H17N2O3+ 1 201.1234 -0.35
+  205.0975 C11H13N2O2+ 1 205.0972 1.88
+  213.1595 C11H21N2O2+ 1 213.1598 -1.02
+  214.1547 C10H20N3O2+ 2 214.155 -1.56
+  217.0973 C12H13N2O2+ 1 217.0972 0.52
+  221.0919 C11H13N2O3+ 1 221.0921 -0.71
+  223.1076 C11H15N2O3+ 1 223.1077 -0.75
+  225.1233 C11H17N2O3+ 1 225.1234 -0.45
+  238.1185 C11H16N3O3+ 1 238.1186 -0.43
+  242.1494 C11H20N3O3+ 2 242.1499 -2.03
+  245.0921 C13H13N2O3+ 1 245.0921 0.11
+  251.1026 C12H15N2O4+ 1 251.1026 -0.29
+  254.1497 C12H20N3O3+ 2 254.1499 -0.94
+  273.0869 C14H13N2O4+ 3 273.087 -0.36
+  280.1293 C13H18N3O4+ 3 280.1292 0.5
+  290.1133 C14H16N3O4+ 3 290.1135 -0.71
+  299.1711 C13H23N4O4+ 3 299.1714 -0.8
+  304.1292 C15H18N3O4+ 5 304.1292 0
+  311.1718 C14H23N4O4+ 3 311.1714 1.31
+  312.1555 C14H22N3O5+ 4 312.1554 0.31
+  321.1554 C15H21N4O4+ 3 321.1557 -1.12
+  325.1508 C14H21N4O5+ 5 325.1506 0.36
+  329.1816 C14H25N4O5+ 5 329.1819 -0.91
+  332.1243 C17H14N7O+ 4 332.1254 -3.49
+  349.1506 C16H21N4O5+ 5 349.1506 -0.21
+  351.1661 C15H27O9+ 5 351.165 3.27
+  369.1779 C17H21N8O2+ 4 369.1782 -0.85
+  391.1616 C18H23N4O6+ 5 391.1612 0.97
+PK$NUM_PEAK: 52
+PK$PEAK: m/z int. rel.int.
+  60.0444 570131.1 22
+  70.0651 6180040 248
+  75.0553 1251497 50
+  84.0444 6993025.5 281
+  86.0964 3039657.5 122
+  101.0709 24804160 999
+  107.0492 449674.7 18
+  116.1069 560018.6 22
+  129.0655 873371.9 35
+  136.0755 12934129 520
+  141.066 285452.9 11
+  147.0438 464345.2 18
+  148.0758 524909.4 21
+  157.097 2932122.8 118
+  167.0449 522483.8 21
+  167.1541 4385535.5 176
+  169.0607 1143238.1 46
+  178.0859 394123.3 15
+  185.092 1924214.5 77
+  186.0871 4108617.5 165
+  193.0972 1610764 64
+  195.1491 1834353.5 73
+  196.1445 1038143.1 41
+  197.1283 2978739.2 119
+  201.1233 1580313.1 63
+  205.0975 368516.2 14
+  213.1595 9221230 371
+  214.1547 1437696.1 57
+  217.0973 342125.8 13
+  221.0919 5150637.5 207
+  223.1076 1918339.8 77
+  225.1233 830032.9 33
+  238.1185 4797336.5 193
+  242.1494 487760.1 19
+  245.0921 1315359.9 52
+  251.1026 907361.9 36
+  254.1497 1571848.5 63
+  273.0869 1782877.2 71
+  280.1293 769667.7 30
+  290.1133 342377.3 13
+  299.1711 424370.9 17
+  304.1292 752203.8 30
+  311.1718 1132419.2 45
+  312.1555 1587765.5 63
+  321.1554 1501610.6 60
+  325.1508 256046.5 10
+  329.1816 312955.7 12
+  332.1243 754980.8 30
+  349.1506 4876525.5 196
+  351.1661 642151.5 25
+  369.1779 449903 18
+  391.1616 575201.9 23
+//
diff --git a/Eawag/MSBNK-EAWAG-EC216506.txt b/Eawag/MSBNK-EAWAG-EC216506.txt
new file mode 100644
index 0000000000..71c89ae53b
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC216506.txt
@@ -0,0 +1,148 @@
+ACCESSION: MSBNK-EAWAG-EC216506
+RECORD_TITLE: Nostocyclopeptide Ncp-E2-L; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md18090442
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2165
+CH$NAME: Nostocyclopeptide Ncp-E2-L
+CH$NAME: 2-(2-(2-amino-3-(4-hydroxyphenyl)propanamido)acetamido)-N1-(1-((3-hydroxy-1-(2-((4-methyl-1-oxopentan-2-yl)carbamoyl)pyrrolidin-1-yl)-1-oxopropan-2-yl)amino)-3-methyl-1-oxopentan-2-yl)pentanediamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C36H56N8O10
+CH$EXACT_MASS: 760.41194
+CH$SMILES: O=C(NC(C(NC(C(NC(C(N1C(C(NC(CC(C)C)C([H])=O)=O)CCC1)=O)CO)=O)C(C)CC)=O)CCC(N)=O)CNC(C(CC2=CC=C(O)C=C2)N)=O
+CH$IUPAC: InChI=1S/C36H56N8O10/c1-5-21(4)31(35(53)42-27(19-46)36(54)44-14-6-7-28(44)34(52)40-23(18-45)15-20(2)3)43-33(51)26(12-13-29(38)48)41-30(49)17-39-32(50)25(37)16-22-8-10-24(47)11-9-22/h8-11,18,20-21,23,25-28,31,46-47H,5-7,12-17,19,37H2,1-4H3,(H2,38,48)(H,39,50)(H,40,52)(H,41,49)(H,42,53)(H,43,51)
+CH$LINK: PUBCHEM CID:155802014
+CH$LINK: INCHIKEY CLSDHBVHQKWEJR-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-798
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.988 min
+MS$FOCUSED_ION: BASE_PEAK 793.4446
+MS$FOCUSED_ION: PRECURSOR_M/Z 761.4192
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0fer-4920000000-01241e676cec25092bdf
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  56.0495 C3H6N+ 1 56.0495 0.89
+  60.0444 C2H6NO+ 1 60.0444 -0.14
+  69.0698 C5H9+ 1 69.0699 -0.42
+  70.0651 C4H8N+ 1 70.0651 -0.08
+  75.0553 C2H7N2O+ 1 75.0553 -0.18
+  83.0604 C4H7N2+ 1 83.0604 0.74
+  84.0444 C4H6NO+ 1 84.0444 -0.03
+  86.0964 C5H12N+ 1 86.0964 -0.33
+  101.0709 C4H9N2O+ 1 101.0709 -0.49
+  107.0491 C7H7O+ 1 107.0491 -0.66
+  116.1069 C6H14NO+ 1 116.107 -0.86
+  119.0489 C8H7O+ 1 119.0491 -2.11
+  129.0658 C5H9N2O2+ 1 129.0659 -0.32
+  136.0756 C8H10NO+ 1 136.0757 -0.91
+  141.0657 C6H9N2O2+ 1 141.0659 -0.76
+  144.1019 C7H14NO2+ 1 144.1019 -0.02
+  147.044 C9H7O2+ 1 147.0441 -0.62
+  148.0755 C9H10NO+ 1 148.0757 -1.03
+  152.0338 C7H6NO3+ 1 152.0342 -2.77
+  157.0971 C7H13N2O2+ 1 157.0972 -0.66
+  160.0754 C10H10NO+ 1 160.0757 -2
+  167.0453 C7H7N2O3+ 1 167.0451 1.24
+  167.0816 C8H11N2O2+ 1 167.0815 0.46
+  167.1542 C10H19N2+ 1 167.1543 -0.65
+  169.0606 C7H9N2O3+ 1 169.0608 -0.91
+  169.1336 C9H17N2O+ 1 169.1335 0.16
+  176.0704 C10H10NO2+ 1 176.0706 -1.19
+  178.0863 C10H12NO2+ 1 178.0863 0.22
+  185.0919 C8H13N2O3+ 1 185.0921 -0.72
+  186.0872 C7H12N3O3+ 1 186.0873 -0.52
+  189.1019 C11H13N2O+ 1 189.1022 -1.73
+  193.097 C10H13N2O2+ 1 193.0972 -0.59
+  195.1492 C11H19N2O+ 1 195.1492 -0.06
+  196.1444 C10H18N3O+ 1 196.1444 -0.26
+  197.1283 C10H17N2O2+ 1 197.1285 -0.76
+  201.123 C9H17N2O3+ 2 201.1234 -1.72
+  213.1596 C11H21N2O2+ 1 213.1598 -0.59
+  214.1549 C10H20N3O2+ 1 214.155 -0.63
+  217.0966 C12H13N2O2+ 2 217.0972 -2.51
+  221.092 C11H13N2O3+ 1 221.0921 -0.37
+  223.1076 C11H15N2O3+ 1 223.1077 -0.41
+  225.1231 C11H17N2O3+ 2 225.1234 -0.99
+  237.1236 C12H17N2O3+ 1 237.1234 0.9
+  238.1185 C11H16N3O3+ 1 238.1186 -0.43
+  245.0919 C13H13N2O3+ 2 245.0921 -0.58
+  251.1026 C12H15N2O4+ 1 251.1026 -0.17
+  254.1498 C12H20N3O3+ 2 254.1499 -0.64
+  280.1293 C13H18N3O4+ 3 280.1292 0.29
+  311.1716 C14H23N4O4+ 3 311.1714 0.82
+  312.1563 C14H22N3O5+ 3 312.1554 3.04
+  332.1245 C17H14N7O+ 3 332.1254 -2.67
+  349.1507 C16H21N4O5+ 5 349.1506 0.14
+  351.1646 C14H21N7O4+ 4 351.165 -1.06
+PK$NUM_PEAK: 53
+PK$PEAK: m/z int. rel.int.
+  56.0495 442014.3 17
+  60.0444 1135728.5 45
+  69.0698 312573.6 12
+  70.0651 14036148 565
+  75.0553 3421763.8 137
+  83.0604 486069.2 19
+  84.0444 18088418 728
+  86.0964 5673539 228
+  101.0709 24808780 999
+  107.0491 859195.4 34
+  116.1069 858559.3 34
+  119.0489 504197.6 20
+  129.0658 2442748.8 98
+  136.0756 24461292 985
+  141.0657 847657.8 34
+  144.1019 390636.5 15
+  147.044 1085643.9 43
+  148.0755 2076064.6 83
+  152.0338 424220.2 17
+  157.0971 2508344.5 101
+  160.0754 286495.5 11
+  167.0453 510194.1 20
+  167.0816 410968.8 16
+  167.1542 3366103.5 135
+  169.0606 1971930 79
+  169.1336 408422.6 16
+  176.0704 314571.8 12
+  178.0863 1143797.2 46
+  185.0919 526884 21
+  186.0872 2788910 112
+  189.1019 449190.3 18
+  193.097 3027442.5 121
+  195.1492 475368 19
+  196.1444 1517155.4 61
+  197.1283 4477472 180
+  201.123 651245.2 26
+  213.1596 5114886 205
+  214.1549 949870.1 38
+  217.0966 401632.5 16
+  221.092 4361909 175
+  223.1076 1746994 70
+  225.1231 912718.2 36
+  237.1236 549380.8 22
+  238.1185 2567427.8 103
+  245.0919 572685.2 23
+  251.1026 320534.4 12
+  254.1498 901313.2 36
+  280.1293 335012.6 13
+  311.1716 378284.4 15
+  312.1563 815685.6 32
+  332.1245 429642.7 17
+  349.1507 428482.9 17
+  351.1646 249143 10
+//
diff --git a/Eawag/MSBNK-EAWAG-EC216507.txt b/Eawag/MSBNK-EAWAG-EC216507.txt
new file mode 100644
index 0000000000..48d6e46414
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC216507.txt
@@ -0,0 +1,124 @@
+ACCESSION: MSBNK-EAWAG-EC216507
+RECORD_TITLE: Nostocyclopeptide Ncp-E2-L; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md18090442
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2165
+CH$NAME: Nostocyclopeptide Ncp-E2-L
+CH$NAME: 2-(2-(2-amino-3-(4-hydroxyphenyl)propanamido)acetamido)-N1-(1-((3-hydroxy-1-(2-((4-methyl-1-oxopentan-2-yl)carbamoyl)pyrrolidin-1-yl)-1-oxopropan-2-yl)amino)-3-methyl-1-oxopentan-2-yl)pentanediamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C36H56N8O10
+CH$EXACT_MASS: 760.41194
+CH$SMILES: O=C(NC(C(NC(C(NC(C(N1C(C(NC(CC(C)C)C([H])=O)=O)CCC1)=O)CO)=O)C(C)CC)=O)CCC(N)=O)CNC(C(CC2=CC=C(O)C=C2)N)=O
+CH$IUPAC: InChI=1S/C36H56N8O10/c1-5-21(4)31(35(53)42-27(19-46)36(54)44-14-6-7-28(44)34(52)40-23(18-45)15-20(2)3)43-33(51)26(12-13-29(38)48)41-30(49)17-39-32(50)25(37)16-22-8-10-24(47)11-9-22/h8-11,18,20-21,23,25-28,31,46-47H,5-7,12-17,19,37H2,1-4H3,(H2,38,48)(H,39,50)(H,40,52)(H,41,49)(H,42,53)(H,43,51)
+CH$LINK: PUBCHEM CID:155802014
+CH$LINK: INCHIKEY CLSDHBVHQKWEJR-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-798
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.988 min
+MS$FOCUSED_ION: BASE_PEAK 793.4446
+MS$FOCUSED_ION: PRECURSOR_M/Z 761.4192
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0080-7900000000-0810492f61276c8cb97a
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  56.0495 C3H6N+ 1 56.0495 -0.2
+  60.0444 C2H6NO+ 1 60.0444 0.3
+  69.0699 C5H9+ 1 69.0699 0.46
+  70.0651 C4H8N+ 1 70.0651 0.03
+  75.0553 C2H7N2O+ 1 75.0553 0.13
+  83.0604 C4H7N2+ 1 83.0604 -0.18
+  84.0444 C4H6NO+ 1 84.0444 -0.03
+  86.0964 C5H12N+ 1 86.0964 -0.24
+  91.0543 C7H7+ 1 91.0542 0.28
+  96.0446 C5H6NO+ 1 96.0444 2.55
+  101.0709 C4H9N2O+ 1 101.0709 -0.34
+  107.0491 C7H7O+ 1 107.0491 -0.38
+  116.1069 C6H14NO+ 1 116.107 -0.53
+  119.0491 C8H7O+ 1 119.0491 -0.5
+  121.0648 C8H9O+ 1 121.0648 -0.13
+  124.0391 C6H6NO2+ 1 124.0393 -1.63
+  129.0658 C5H9N2O2+ 1 129.0659 -0.79
+  136.0756 C8H10NO+ 1 136.0757 -0.91
+  141.0657 C6H9N2O2+ 1 141.0659 -1.19
+  144.102 C7H14NO2+ 1 144.1019 0.51
+  147.0439 C9H7O2+ 1 147.0441 -0.93
+  148.0756 C9H10NO+ 1 148.0757 -0.51
+  152.0343 C7H6NO3+ 1 152.0342 0.24
+  157.0971 C7H13N2O2+ 1 157.0972 -0.27
+  160.0754 C10H10NO+ 1 160.0757 -1.72
+  167.0814 C8H11N2O2+ 1 167.0815 -0.64
+  167.1542 C10H19N2+ 1 167.1543 -0.65
+  169.0606 C7H9N2O3+ 1 169.0608 -1.09
+  176.07 C10H10NO2+ 2 176.0706 -3.62
+  178.0862 C10H12NO2+ 1 178.0863 -0.29
+  186.0875 C7H12N3O3+ 1 186.0873 0.87
+  189.102 C11H13N2O+ 1 189.1022 -1.25
+  193.0971 C10H13N2O2+ 1 193.0972 -0.35
+  196.1444 C10H18N3O+ 1 196.1444 -0.42
+  197.1283 C10H17N2O2+ 1 197.1285 -0.69
+  213.1596 C11H21N2O2+ 1 213.1598 -0.88
+  221.0919 C11H13N2O3+ 1 221.0921 -0.58
+  223.1077 C11H15N2O3+ 1 223.1077 -0.27
+  225.1236 C11H17N2O3+ 1 225.1234 0.84
+  237.1229 C12H17N2O3+ 2 237.1234 -1.81
+  238.1187 C11H16N3O3+ 1 238.1186 0.53
+PK$NUM_PEAK: 41
+PK$PEAK: m/z int. rel.int.
+  56.0495 996153.8 34
+  60.0444 1310632.9 45
+  69.0699 872177.4 30
+  70.0651 17992232 627
+  75.0553 4020519 140
+  83.0604 828584.5 28
+  84.0444 27317882 952
+  86.0964 6538484 227
+  91.0543 1055106.9 36
+  96.0446 339825 11
+  101.0709 14588584 508
+  107.0491 862907.3 30
+  116.1069 869908 30
+  119.0491 1730752.4 60
+  121.0648 305489.8 10
+  124.0391 326788.1 11
+  129.0658 3106799.5 108
+  136.0756 28663562 999
+  141.0657 852247.1 29
+  144.102 289649.2 10
+  147.0439 1298914.6 45
+  148.0756 2492863.8 86
+  152.0343 899399.8 31
+  157.0971 1092005.5 38
+  160.0754 511100.3 17
+  167.0814 371406.2 12
+  167.1542 1910011.1 66
+  169.0606 1477021.6 51
+  176.07 327191.8 11
+  178.0862 1149028.1 40
+  186.0875 800612.1 27
+  189.102 413961.6 14
+  193.0971 2025309.8 70
+  196.1444 1163234.9 40
+  197.1283 3117530.2 108
+  213.1596 1468544 51
+  221.0919 1440489 50
+  223.1077 978857.2 34
+  225.1236 424129.8 14
+  237.1229 475516.4 16
+  238.1187 480210 16
+//
diff --git a/Eawag/MSBNK-EAWAG-EC216508.txt b/Eawag/MSBNK-EAWAG-EC216508.txt
new file mode 100644
index 0000000000..f76a7ee336
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC216508.txt
@@ -0,0 +1,98 @@
+ACCESSION: MSBNK-EAWAG-EC216508
+RECORD_TITLE: Nostocyclopeptide Ncp-E2-L; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md18090442
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2165
+CH$NAME: Nostocyclopeptide Ncp-E2-L
+CH$NAME: 2-(2-(2-amino-3-(4-hydroxyphenyl)propanamido)acetamido)-N1-(1-((3-hydroxy-1-(2-((4-methyl-1-oxopentan-2-yl)carbamoyl)pyrrolidin-1-yl)-1-oxopropan-2-yl)amino)-3-methyl-1-oxopentan-2-yl)pentanediamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C36H56N8O10
+CH$EXACT_MASS: 760.41194
+CH$SMILES: O=C(NC(C(NC(C(NC(C(N1C(C(NC(CC(C)C)C([H])=O)=O)CCC1)=O)CO)=O)C(C)CC)=O)CCC(N)=O)CNC(C(CC2=CC=C(O)C=C2)N)=O
+CH$IUPAC: InChI=1S/C36H56N8O10/c1-5-21(4)31(35(53)42-27(19-46)36(54)44-14-6-7-28(44)34(52)40-23(18-45)15-20(2)3)43-33(51)26(12-13-29(38)48)41-30(49)17-39-32(50)25(37)16-22-8-10-24(47)11-9-22/h8-11,18,20-21,23,25-28,31,46-47H,5-7,12-17,19,37H2,1-4H3,(H2,38,48)(H,39,50)(H,40,52)(H,41,49)(H,42,53)(H,43,51)
+CH$LINK: PUBCHEM CID:155802014
+CH$LINK: INCHIKEY CLSDHBVHQKWEJR-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-798
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.988 min
+MS$FOCUSED_ION: BASE_PEAK 793.4446
+MS$FOCUSED_ION: PRECURSOR_M/Z 761.4192
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0080-9600000000-00e93f5f9d9d1eacc8f3
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  56.0495 C3H6N+ 1 56.0495 -0.2
+  60.0444 C2H6NO+ 1 60.0444 0.18
+  69.0699 C5H9+ 1 69.0699 -0.2
+  70.0651 C4H8N+ 1 70.0651 -0.19
+  75.0553 C2H7N2O+ 1 75.0553 0.03
+  83.0604 C4H7N2+ 1 83.0604 0.28
+  84.0444 C4H6NO+ 1 84.0444 -0.3
+  86.0964 C5H12N+ 1 86.0964 -0.5
+  91.0542 C7H7+ 1 91.0542 -0.06
+  96.0443 C5H6NO+ 1 96.0444 -0.95
+  101.0709 C4H9N2O+ 1 101.0709 -0.57
+  107.0491 C7H7O+ 1 107.0491 -0.66
+  116.107 C6H14NO+ 1 116.107 -0.26
+  119.0491 C8H7O+ 1 119.0491 -0.38
+  121.0647 C8H9O+ 1 121.0648 -0.95
+  124.0392 C6H6NO2+ 1 124.0393 -0.52
+  129.0658 C5H9N2O2+ 1 129.0659 -0.79
+  136.0755 C8H10NO+ 1 136.0757 -1.13
+  141.0656 C6H9N2O2+ 1 141.0659 -1.84
+  147.0438 C9H7O2+ 1 147.0441 -1.55
+  148.0756 C9H10NO+ 1 148.0757 -0.62
+  152.0341 C7H6NO3+ 1 152.0342 -0.56
+  160.0756 C10H10NO+ 1 160.0757 -0.57
+  167.1542 C10H19N2+ 1 167.1543 -0.28
+  169.0609 C7H9N2O3+ 1 169.0608 0.53
+  178.086 C10H12NO2+ 1 178.0863 -1.32
+  193.097 C10H13N2O2+ 1 193.0972 -0.82
+  197.1285 C10H17N2O2+ 1 197.1285 0.01
+PK$NUM_PEAK: 28
+PK$PEAK: m/z int. rel.int.
+  56.0495 2175662.2 56
+  60.0444 1717840.4 44
+  69.0699 1511652.6 39
+  70.0651 23649534 614
+  75.0553 4503361 116
+  83.0604 1535348.5 39
+  84.0444 38477636 999
+  86.0964 7452069.5 193
+  91.0542 3716238.2 96
+  96.0443 738154.9 19
+  101.0709 9046547 234
+  107.0491 1307822.5 33
+  116.107 984521.8 25
+  119.0491 4452262 115
+  121.0647 689857.6 17
+  124.0392 591242.5 15
+  129.0658 3057435.8 79
+  136.0755 33657784 873
+  141.0656 640345.7 16
+  147.0438 1412480.6 36
+  148.0756 2918021.5 75
+  152.0341 1200583.5 31
+  160.0756 678732.2 17
+  167.1542 1171390.8 30
+  169.0609 757218.1 19
+  178.086 728347.3 18
+  193.097 805998.1 20
+  197.1285 1353156.9 35
+//
diff --git a/Eawag/MSBNK-EAWAG-EC216509.txt b/Eawag/MSBNK-EAWAG-EC216509.txt
new file mode 100644
index 0000000000..d0465e8e7e
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC216509.txt
@@ -0,0 +1,88 @@
+ACCESSION: MSBNK-EAWAG-EC216509
+RECORD_TITLE: Nostocyclopeptide Ncp-E2-L; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M+H]+; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md18090442
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2165
+CH$NAME: Nostocyclopeptide Ncp-E2-L
+CH$NAME: 2-(2-(2-amino-3-(4-hydroxyphenyl)propanamido)acetamido)-N1-(1-((3-hydroxy-1-(2-((4-methyl-1-oxopentan-2-yl)carbamoyl)pyrrolidin-1-yl)-1-oxopropan-2-yl)amino)-3-methyl-1-oxopentan-2-yl)pentanediamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C36H56N8O10
+CH$EXACT_MASS: 760.41194
+CH$SMILES: O=C(NC(C(NC(C(NC(C(N1C(C(NC(CC(C)C)C([H])=O)=O)CCC1)=O)CO)=O)C(C)CC)=O)CCC(N)=O)CNC(C(CC2=CC=C(O)C=C2)N)=O
+CH$IUPAC: InChI=1S/C36H56N8O10/c1-5-21(4)31(35(53)42-27(19-46)36(54)44-14-6-7-28(44)34(52)40-23(18-45)15-20(2)3)43-33(51)26(12-13-29(38)48)41-30(49)17-39-32(50)25(37)16-22-8-10-24(47)11-9-22/h8-11,18,20-21,23,25-28,31,46-47H,5-7,12-17,19,37H2,1-4H3,(H2,38,48)(H,39,50)(H,40,52)(H,41,49)(H,42,53)(H,43,51)
+CH$LINK: PUBCHEM CID:155802014
+CH$LINK: INCHIKEY CLSDHBVHQKWEJR-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-798
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.988 min
+MS$FOCUSED_ION: BASE_PEAK 793.4446
+MS$FOCUSED_ION: PRECURSOR_M/Z 761.4192
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-008i-9400000000-d2ad926296280489870c
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  56.0495 C3H6N+ 1 56.0495 -0.13
+  60.0444 C2H6NO+ 1 60.0444 -0.01
+  69.0699 C5H9+ 1 69.0699 0.24
+  70.0651 C4H8N+ 1 70.0651 -0.08
+  75.0553 C2H7N2O+ 1 75.0553 -0.07
+  83.0604 C4H7N2+ 1 83.0604 0.37
+  84.0444 C4H6NO+ 1 84.0444 -0.21
+  86.0964 C5H12N+ 1 86.0964 -0.33
+  91.0542 C7H7+ 1 91.0542 -0.06
+  96.0444 C5H6NO+ 1 96.0444 -0.39
+  101.0709 C4H9N2O+ 1 101.0709 -0.49
+  107.0491 C7H7O+ 1 107.0491 -0.02
+  116.107 C6H14NO+ 1 116.107 0.13
+  119.0491 C8H7O+ 1 119.0491 -0.63
+  121.0648 C8H9O+ 1 121.0648 0.12
+  124.0393 C6H6NO2+ 1 124.0393 -0.03
+  129.0657 C5H9N2O2+ 1 129.0659 -0.91
+  136.0756 C8H10NO+ 1 136.0757 -1.02
+  147.044 C9H7O2+ 1 147.0441 -0.2
+  148.0756 C9H10NO+ 1 148.0757 -0.41
+  152.0342 C7H6NO3+ 1 152.0342 0.14
+  160.0758 C10H10NO+ 1 160.0757 0.57
+  197.1285 C10H17N2O2+ 1 197.1285 0.09
+PK$NUM_PEAK: 23
+PK$PEAK: m/z int. rel.int.
+  56.0495 3204224.8 83
+  60.0444 1893390.2 49
+  69.0699 1836172.8 47
+  70.0651 21964030 573
+  75.0553 3206046.2 83
+  83.0604 1418485.9 37
+  84.0444 38275924 999
+  86.0964 5776456.5 150
+  91.0542 7479284 195
+  96.0444 1173627.2 30
+  101.0709 3748494 97
+  107.0491 1297335.6 33
+  116.107 551058.6 14
+  119.0491 5782669.5 150
+  121.0648 725240.8 18
+  124.0393 837187.5 21
+  129.0657 1690711.5 44
+  136.0756 26544948 692
+  147.044 1076020.2 28
+  148.0756 1982560.5 51
+  152.0342 927775.2 24
+  160.0758 481408.6 12
+  197.1285 397799.1 10
+//
diff --git a/Eawag/MSBNK-EAWAG-EC216551.txt b/Eawag/MSBNK-EAWAG-EC216551.txt
new file mode 100644
index 0000000000..c753498d5c
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC216551.txt
@@ -0,0 +1,46 @@
+ACCESSION: MSBNK-EAWAG-EC216551
+RECORD_TITLE: Nostocyclopeptide Ncp-E2-L; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M-H]-; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md18090442
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2165
+CH$NAME: Nostocyclopeptide Ncp-E2-L
+CH$NAME: 2-(2-(2-amino-3-(4-hydroxyphenyl)propanamido)acetamido)-N1-(1-((3-hydroxy-1-(2-((4-methyl-1-oxopentan-2-yl)carbamoyl)pyrrolidin-1-yl)-1-oxopropan-2-yl)amino)-3-methyl-1-oxopentan-2-yl)pentanediamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C36H56N8O10
+CH$EXACT_MASS: 760.41194
+CH$SMILES: O=C(NC(C(NC(C(NC(C(N1C(C(NC(CC(C)C)C([H])=O)=O)CCC1)=O)CO)=O)C(C)CC)=O)CCC(N)=O)CNC(C(CC2=CC=C(O)C=C2)N)=O
+CH$IUPAC: InChI=1S/C36H56N8O10/c1-5-21(4)31(35(53)42-27(19-46)36(54)44-14-6-7-28(44)34(52)40-23(18-45)15-20(2)3)43-33(51)26(12-13-29(38)48)41-30(49)17-39-32(50)25(37)16-22-8-10-24(47)11-9-22/h8-11,18,20-21,23,25-28,31,46-47H,5-7,12-17,19,37H2,1-4H3,(H2,38,48)(H,39,50)(H,40,52)(H,41,49)(H,42,53)(H,43,51)
+CH$LINK: PUBCHEM CID:155802014
+CH$LINK: INCHIKEY CLSDHBVHQKWEJR-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-796
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.975 min
+MS$FOCUSED_ION: BASE_PEAK 837.4374
+MS$FOCUSED_ION: PRECURSOR_M/Z 759.4047
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-004i-0000000900-7751c23f370ce5e28353
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  729.3945 C35H53N8O9- 1 729.3941 0.5
+  741.3933 C36H53N8O9- 1 741.3941 -1.12
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  729.3945 23748054 999
+  741.3933 367716.1 15
+//
diff --git a/Eawag/MSBNK-EAWAG-EC216552.txt b/Eawag/MSBNK-EAWAG-EC216552.txt
new file mode 100644
index 0000000000..dc7c8741c3
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC216552.txt
@@ -0,0 +1,50 @@
+ACCESSION: MSBNK-EAWAG-EC216552
+RECORD_TITLE: Nostocyclopeptide Ncp-E2-L; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M-H]-; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md18090442
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2165
+CH$NAME: Nostocyclopeptide Ncp-E2-L
+CH$NAME: 2-(2-(2-amino-3-(4-hydroxyphenyl)propanamido)acetamido)-N1-(1-((3-hydroxy-1-(2-((4-methyl-1-oxopentan-2-yl)carbamoyl)pyrrolidin-1-yl)-1-oxopropan-2-yl)amino)-3-methyl-1-oxopentan-2-yl)pentanediamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C36H56N8O10
+CH$EXACT_MASS: 760.41194
+CH$SMILES: O=C(NC(C(NC(C(NC(C(N1C(C(NC(CC(C)C)C([H])=O)=O)CCC1)=O)CO)=O)C(C)CC)=O)CCC(N)=O)CNC(C(CC2=CC=C(O)C=C2)N)=O
+CH$IUPAC: InChI=1S/C36H56N8O10/c1-5-21(4)31(35(53)42-27(19-46)36(54)44-14-6-7-28(44)34(52)40-23(18-45)15-20(2)3)43-33(51)26(12-13-29(38)48)41-30(49)17-39-32(50)25(37)16-22-8-10-24(47)11-9-22/h8-11,18,20-21,23,25-28,31,46-47H,5-7,12-17,19,37H2,1-4H3,(H2,38,48)(H,39,50)(H,40,52)(H,41,49)(H,42,53)(H,43,51)
+CH$LINK: PUBCHEM CID:155802014
+CH$LINK: INCHIKEY CLSDHBVHQKWEJR-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-796
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.975 min
+MS$FOCUSED_ION: BASE_PEAK 837.4374
+MS$FOCUSED_ION: PRECURSOR_M/Z 759.4047
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-004i-0000000900-c81930c91045e7c6f43e
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  347.1359 C16H19N4O5- 5 347.1361 -0.7
+  711.3837 C35H51N8O8- 1 711.3835 0.2
+  729.3947 C35H53N8O9- 1 729.3941 0.83
+  741.3959 C36H53N8O9- 1 741.3941 2.42
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  347.1359 610755.9 27
+  711.3837 601115 27
+  729.3947 21991468 999
+  741.3959 302919.5 13
+//
diff --git a/Eawag/MSBNK-EAWAG-EC216553.txt b/Eawag/MSBNK-EAWAG-EC216553.txt
new file mode 100644
index 0000000000..2e9f47a398
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC216553.txt
@@ -0,0 +1,66 @@
+ACCESSION: MSBNK-EAWAG-EC216553
+RECORD_TITLE: Nostocyclopeptide Ncp-E2-L; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M-H]-; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md18090442
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2165
+CH$NAME: Nostocyclopeptide Ncp-E2-L
+CH$NAME: 2-(2-(2-amino-3-(4-hydroxyphenyl)propanamido)acetamido)-N1-(1-((3-hydroxy-1-(2-((4-methyl-1-oxopentan-2-yl)carbamoyl)pyrrolidin-1-yl)-1-oxopropan-2-yl)amino)-3-methyl-1-oxopentan-2-yl)pentanediamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C36H56N8O10
+CH$EXACT_MASS: 760.41194
+CH$SMILES: O=C(NC(C(NC(C(NC(C(N1C(C(NC(CC(C)C)C([H])=O)=O)CCC1)=O)CO)=O)C(C)CC)=O)CCC(N)=O)CNC(C(CC2=CC=C(O)C=C2)N)=O
+CH$IUPAC: InChI=1S/C36H56N8O10/c1-5-21(4)31(35(53)42-27(19-46)36(54)44-14-6-7-28(44)34(52)40-23(18-45)15-20(2)3)43-33(51)26(12-13-29(38)48)41-30(49)17-39-32(50)25(37)16-22-8-10-24(47)11-9-22/h8-11,18,20-21,23,25-28,31,46-47H,5-7,12-17,19,37H2,1-4H3,(H2,38,48)(H,39,50)(H,40,52)(H,41,49)(H,42,53)(H,43,51)
+CH$LINK: PUBCHEM CID:155802014
+CH$LINK: INCHIKEY CLSDHBVHQKWEJR-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-796
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.975 min
+MS$FOCUSED_ION: BASE_PEAK 837.4374
+MS$FOCUSED_ION: PRECURSOR_M/Z 759.4047
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-004i-0001000900-145ada55679c2d2d7fb1
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  219.0764 C9H9N5O2- 1 219.0762 0.88
+  236.1029 C9H12N6O2- 2 236.1027 0.83
+  347.1355 C16H19N4O5- 3 347.1361 -1.58
+  364.1624 C15H26NO9- 4 364.1613 2.99
+  381.2505 C19H33N4O4- 5 381.2507 -0.68
+  477.247 C22H33N6O6- 4 477.2467 0.54
+  492.2828 C24H38N5O6- 4 492.2828 0.05
+  509.3099 C24H41N6O6- 5 509.3093 1.14
+  517.243 C24H33N6O7- 4 517.2416 2.58
+  711.3841 C35H51N8O8- 1 711.3835 0.8
+  729.3946 C35H53N8O9- 1 729.3941 0.66
+  730.3983 C35H54N8O9- 1 730.4019 -4.95
+PK$NUM_PEAK: 12
+PK$PEAK: m/z int. rel.int.
+  219.0764 294003 22
+  236.1029 939741.2 72
+  347.1355 1529756 117
+  364.1624 946547.8 72
+  381.2505 237495.8 18
+  477.247 286173.5 21
+  492.2828 141482.3 10
+  509.3099 213118.8 16
+  517.243 164221.3 12
+  711.3841 934639.3 71
+  729.3946 13005888 999
+  730.3983 566258.4 43
+//
diff --git a/Eawag/MSBNK-EAWAG-EC216554.txt b/Eawag/MSBNK-EAWAG-EC216554.txt
new file mode 100644
index 0000000000..1f772f6dba
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC216554.txt
@@ -0,0 +1,106 @@
+ACCESSION: MSBNK-EAWAG-EC216554
+RECORD_TITLE: Nostocyclopeptide Ncp-E2-L; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M-H]-; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md18090442
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2165
+CH$NAME: Nostocyclopeptide Ncp-E2-L
+CH$NAME: 2-(2-(2-amino-3-(4-hydroxyphenyl)propanamido)acetamido)-N1-(1-((3-hydroxy-1-(2-((4-methyl-1-oxopentan-2-yl)carbamoyl)pyrrolidin-1-yl)-1-oxopropan-2-yl)amino)-3-methyl-1-oxopentan-2-yl)pentanediamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C36H56N8O10
+CH$EXACT_MASS: 760.41194
+CH$SMILES: O=C(NC(C(NC(C(NC(C(N1C(C(NC(CC(C)C)C([H])=O)=O)CCC1)=O)CO)=O)C(C)CC)=O)CCC(N)=O)CNC(C(CC2=CC=C(O)C=C2)N)=O
+CH$IUPAC: InChI=1S/C36H56N8O10/c1-5-21(4)31(35(53)42-27(19-46)36(54)44-14-6-7-28(44)34(52)40-23(18-45)15-20(2)3)43-33(51)26(12-13-29(38)48)41-30(49)17-39-32(50)25(37)16-22-8-10-24(47)11-9-22/h8-11,18,20-21,23,25-28,31,46-47H,5-7,12-17,19,37H2,1-4H3,(H2,38,48)(H,39,50)(H,40,52)(H,41,49)(H,42,53)(H,43,51)
+CH$LINK: PUBCHEM CID:155802014
+CH$LINK: INCHIKEY CLSDHBVHQKWEJR-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-796
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.975 min
+MS$FOCUSED_ION: BASE_PEAK 837.4374
+MS$FOCUSED_ION: PRECURSOR_M/Z 759.4047
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-01ti-0177110900-fc60794d32363d246ec7
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  84.0091 C3H2NO2- 1 84.0091 -0.29
+  126.0198 C5H4NO3- 1 126.0197 0.77
+  127.0513 C5H7N2O2- 1 127.0513 -0.28
+  166.0616 C7H8N3O2- 2 166.0622 -3.5
+  167.046 C7H7N2O3- 1 167.0462 -1.39
+  169.0975 C8H13N2O2- 2 169.0983 -4.59
+  179.0817 C9H11N2O2- 2 179.0826 -4.77
+  184.0718 C5H8N6O2- 1 184.0714 2.1
+  211.1441 C9H17N5O- 1 211.1439 1.14
+  219.0765 C9H9N5O2- 2 219.0762 1.3
+  222.1238 C9H14N6O- 2 222.1235 1.49
+  223.1077 C9H13N5O2- 2 223.1075 1.08
+  236.103 C9H12N6O2- 2 236.1027 1.22
+  266.1505 C13H20N3O3- 2 266.151 -1.97
+  268.1657 C13H22N3O3- 2 268.1667 -3.76
+  276.0983 C11H12N6O3- 2 276.0976 2.56
+  303.1451 C14H23O7- 3 303.1449 0.59
+  346.1517 C16H20N5O4- 3 346.1521 -1.13
+  347.1354 C15H23O9- 3 347.1348 1.75
+  364.1621 C15H26NO9- 3 364.1613 2.32
+  381.2507 C19H33N4O4- 5 381.2507 -0.2
+  407.2301 C20H31N4O5- 5 407.23 0.29
+  477.2468 C22H33N6O6- 4 477.2467 0.09
+  491.3014 C27H37N7O2- 4 491.3014 -0.11
+  492.2828 C24H38N5O6- 4 492.2828 0.12
+  509.3089 C24H41N6O6- 4 509.3093 -0.72
+  517.2395 C24H33N6O7- 6 517.2416 -4.14
+  588.3133 C28H42N7O7- 2 588.3151 -3.08
+  614.296 C31H42N4O9- 5 614.2957 0.42
+  711.3832 C35H51N8O8- 1 711.3835 -0.48
+  729.3945 C35H53N8O9- 1 729.3941 0.5
+  730.3996 C35H54N8O9- 1 730.4019 -3.2
+PK$NUM_PEAK: 32
+PK$PEAK: m/z int. rel.int.
+  84.0091 127013.5 22
+  126.0198 113129.2 19
+  127.0513 218772.4 38
+  166.0616 272682.6 47
+  167.046 169542.9 29
+  169.0975 201915.3 35
+  179.0817 273087.4 47
+  184.0718 80339.8 14
+  211.1441 438990.4 77
+  219.0765 1136155.4 199
+  222.1238 115726.4 20
+  223.1077 231304.9 40
+  236.103 3011937.2 528
+  266.1505 68131.4 11
+  268.1657 395257.7 69
+  276.0983 124246.3 21
+  303.1451 122971.3 21
+  346.1517 171484.7 30
+  347.1354 2004693.8 351
+  364.1621 2846147 499
+  381.2507 566025.6 99
+  407.2301 164042.4 28
+  477.2468 425791.5 74
+  491.3014 200321.5 35
+  492.2828 222674.2 39
+  509.3089 470310.4 82
+  517.2395 140847.6 24
+  588.3133 215530.4 37
+  614.296 495133.6 86
+  711.3832 825314.8 144
+  729.3945 5689986 999
+  730.3996 277763.4 48
+//
diff --git a/Eawag/MSBNK-EAWAG-EC216555.txt b/Eawag/MSBNK-EAWAG-EC216555.txt
new file mode 100644
index 0000000000..42f29ad7f7
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC216555.txt
@@ -0,0 +1,158 @@
+ACCESSION: MSBNK-EAWAG-EC216555
+RECORD_TITLE: Nostocyclopeptide Ncp-E2-L; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M-H]-; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md18090442
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2165
+CH$NAME: Nostocyclopeptide Ncp-E2-L
+CH$NAME: 2-(2-(2-amino-3-(4-hydroxyphenyl)propanamido)acetamido)-N1-(1-((3-hydroxy-1-(2-((4-methyl-1-oxopentan-2-yl)carbamoyl)pyrrolidin-1-yl)-1-oxopropan-2-yl)amino)-3-methyl-1-oxopentan-2-yl)pentanediamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C36H56N8O10
+CH$EXACT_MASS: 760.41194
+CH$SMILES: O=C(NC(C(NC(C(NC(C(N1C(C(NC(CC(C)C)C([H])=O)=O)CCC1)=O)CO)=O)C(C)CC)=O)CCC(N)=O)CNC(C(CC2=CC=C(O)C=C2)N)=O
+CH$IUPAC: InChI=1S/C36H56N8O10/c1-5-21(4)31(35(53)42-27(19-46)36(54)44-14-6-7-28(44)34(52)40-23(18-45)15-20(2)3)43-33(51)26(12-13-29(38)48)41-30(49)17-39-32(50)25(37)16-22-8-10-24(47)11-9-22/h8-11,18,20-21,23,25-28,31,46-47H,5-7,12-17,19,37H2,1-4H3,(H2,38,48)(H,39,50)(H,40,52)(H,41,49)(H,42,53)(H,43,51)
+CH$LINK: PUBCHEM CID:155802014
+CH$LINK: INCHIKEY CLSDHBVHQKWEJR-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-796
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.975 min
+MS$FOCUSED_ION: BASE_PEAK 837.4374
+MS$FOCUSED_ION: PRECURSOR_M/Z 759.4047
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-02ti-0692000000-9902d24a2696917effb9
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  71.025 C2H3N2O- 1 71.0251 -1.41
+  82.0295 C4H4NO- 1 82.0298 -4.24
+  84.0091 C3H2NO2- 1 84.0091 -0.2
+  95.025 C4H3N2O- 1 95.0251 -1.05
+  107.0501 C7H7O- 1 107.0502 -1.15
+  109.0404 C5H5N2O- 1 109.0407 -3.42
+  111.02 C4H3N2O2- 1 111.02 0.27
+  113.0355 C4H5N2O2- 1 113.0357 -1.61
+  113.072 C5H9N2O- 1 113.072 -0.67
+  114.0556 C5H8NO2- 1 114.0561 -3.62
+  123.0562 C6H7N2O- 1 123.0564 -1.18
+  126.0195 C5H4NO3- 1 126.0197 -1.11
+  127.0513 C5H7N2O2- 1 127.0513 -0.22
+  128.0464 C4H6N3O2- 1 128.0466 -0.88
+  129.1033 C6H13N2O- 1 129.1033 -0.52
+  130.062 C4H8N3O2- 1 130.0622 -1.88
+  134.0609 C8H8NO- 1 134.0611 -1.41
+  136.0764 C8H10NO- 1 136.0768 -2.74
+  140.0714 C7H10NO2- 1 140.0717 -2.07
+  144.0776 C5H10N3O2- 1 144.0779 -2
+  148.0506 C5H4N6- 1 148.0503 2.39
+  151.087 C8H11N2O- 2 151.0877 -4.4
+  153.0665 C7H9N2O2- 1 153.067 -2.78
+  153.1024 C6H11N5- 1 153.102 2.54
+  155.0821 C7H11N2O2- 1 155.0826 -3.43
+  162.0555 C9H8NO2- 1 162.0561 -3.15
+  166.0617 C7H8N3O2- 1 166.0622 -3.04
+  167.0459 C7H7N2O3- 1 167.0462 -2.03
+  169.0977 C8H13N2O2- 2 169.0983 -3.41
+  179.082 C9H11N2O2- 2 179.0826 -3.4
+  181.0982 C9H13N2O2- 1 181.0983 -0.08
+  184.0721 C5H8N6O2- 2 184.0714 3.43
+  186.1243 C8H16N3O2- 2 186.1248 -2.88
+  196.1451 C8H16N6- 2 196.1442 4.39
+  209.1282 C9H15N5O- 1 209.1282 0.03
+  211.1443 C9H17N5O- 2 211.1439 2.15
+  219.0765 C9H9N5O2- 2 219.0762 1.72
+  222.124 C9H14N6O- 2 222.1235 2.52
+  223.1075 C9H13N5O2- 1 223.1075 0.33
+  226.1549 C9H18N6O- 1 226.1548 0.61
+  236.1031 C9H12N6O2- 2 236.1027 1.67
+  239.1505 C10H23O6- 3 239.15 1.85
+  240.1346 C9H16N6O2- 2 240.134 2.21
+  240.1705 C10H20N6O- 1 240.1704 0.58
+  250.1189 C10H14N6O2- 2 250.1184 2.09
+  250.1548 C11H18N6O- 1 250.1548 0.22
+  258.1198 C8H20NO8- 3 258.1194 1.2
+  266.15 C11H18N6O2- 2 266.1497 1.24
+  268.1656 C13H22N3O3- 2 268.1667 -4.1
+  276.097 C11H12N6O3- 2 276.0976 -2.42
+  293.1246 C13H17N4O4- 3 293.1255 -3.13
+  303.1452 C14H23O7- 3 303.1449 0.89
+  346.152 C16H20N5O4- 4 346.1521 -0.33
+  347.135 C15H23O9- 4 347.1348 0.69
+  364.1622 C15H26NO9- 4 364.1613 2.49
+  381.2503 C19H33N4O4- 5 381.2507 -1.08
+  407.23 C20H31N4O5- 5 407.23 0.07
+  491.301 C27H37N7O2- 5 491.3014 -0.92
+PK$NUM_PEAK: 58
+PK$PEAK: m/z int. rel.int.
+  71.025 102292.6 20
+  82.0295 65714.8 13
+  84.0091 379611.8 76
+  95.025 108745.8 22
+  107.0501 83518.4 16
+  109.0404 65345.4 13
+  111.02 138669.2 28
+  113.0355 211630.7 42
+  113.072 176399 35
+  114.0556 71470.6 14
+  123.0562 194478.4 39
+  126.0195 406504.6 82
+  127.0513 883685.9 179
+  128.0464 137476 27
+  129.1033 119348 24
+  130.062 496460.9 100
+  134.0609 130693 26
+  136.0764 113795.9 23
+  140.0714 241482.2 48
+  144.0776 631035.6 127
+  148.0506 50515.1 10
+  151.087 65354.1 13
+  153.0665 597067.7 121
+  153.1024 85022.7 17
+  155.0821 123201.4 24
+  162.0555 54521.2 11
+  166.0617 2302750.2 466
+  167.0459 310304.8 62
+  169.0977 775480.7 157
+  179.082 1409634.4 285
+  181.0982 91332 18
+  184.0721 197615.1 40
+  186.1243 79024.9 16
+  196.1451 121943.1 24
+  209.1282 72200.5 14
+  211.1443 3141979.8 636
+  219.0765 1950155.2 395
+  222.124 411193.1 83
+  223.1075 253148.1 51
+  226.1549 65355.8 13
+  236.1031 4927560 999
+  239.1505 101743.6 20
+  240.1346 161597.9 32
+  240.1705 113547.3 23
+  250.1189 76960.3 15
+  250.1548 353349.7 71
+  258.1198 171410.8 34
+  266.15 271178.7 54
+  268.1656 1418426.9 287
+  276.097 108861.5 22
+  293.1246 628410.4 127
+  303.1452 193113.4 39
+  346.152 357975.6 72
+  347.135 574299.1 116
+  364.1622 1667577.6 338
+  381.2503 372144.9 75
+  407.23 198556.3 40
+  491.301 143206.2 29
+//
diff --git a/Eawag/MSBNK-EAWAG-EC216556.txt b/Eawag/MSBNK-EAWAG-EC216556.txt
new file mode 100644
index 0000000000..605bdeac43
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC216556.txt
@@ -0,0 +1,198 @@
+ACCESSION: MSBNK-EAWAG-EC216556
+RECORD_TITLE: Nostocyclopeptide Ncp-E2-L; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M-H]-; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md18090442
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2165
+CH$NAME: Nostocyclopeptide Ncp-E2-L
+CH$NAME: 2-(2-(2-amino-3-(4-hydroxyphenyl)propanamido)acetamido)-N1-(1-((3-hydroxy-1-(2-((4-methyl-1-oxopentan-2-yl)carbamoyl)pyrrolidin-1-yl)-1-oxopropan-2-yl)amino)-3-methyl-1-oxopentan-2-yl)pentanediamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C36H56N8O10
+CH$EXACT_MASS: 760.41194
+CH$SMILES: O=C(NC(C(NC(C(NC(C(N1C(C(NC(CC(C)C)C([H])=O)=O)CCC1)=O)CO)=O)C(C)CC)=O)CCC(N)=O)CNC(C(CC2=CC=C(O)C=C2)N)=O
+CH$IUPAC: InChI=1S/C36H56N8O10/c1-5-21(4)31(35(53)42-27(19-46)36(54)44-14-6-7-28(44)34(52)40-23(18-45)15-20(2)3)43-33(51)26(12-13-29(38)48)41-30(49)17-39-32(50)25(37)16-22-8-10-24(47)11-9-22/h8-11,18,20-21,23,25-28,31,46-47H,5-7,12-17,19,37H2,1-4H3,(H2,38,48)(H,39,50)(H,40,52)(H,41,49)(H,42,53)(H,43,51)
+CH$LINK: PUBCHEM CID:155802014
+CH$LINK: INCHIKEY CLSDHBVHQKWEJR-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-796
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.975 min
+MS$FOCUSED_ION: BASE_PEAK 837.4374
+MS$FOCUSED_ION: PRECURSOR_M/Z 759.4047
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-03y0-1950000000-d71d20bffb7af0fecfbf
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  69.0457 C3H5N2- 1 69.0458 -1.66
+  70.0295 C3H4NO- 1 70.0298 -5
+  71.025 C2H3N2O- 1 71.0251 -0.66
+  73.0407 C2H5N2O- 1 73.0407 -0.56
+  74.0245 C2H4NO2- 1 74.0248 -2.91
+  82.0298 C4H4NO- 1 82.0298 -0.99
+  84.009 C3H2NO2- 1 84.0091 -1.02
+  85.0406 C3H5N2O- 1 85.0407 -1.69
+  95.0251 C4H3N2O- 1 95.0251 -0.08
+  97.0406 C4H5N2O- 1 97.0407 -0.89
+  99.0199 C3H3N2O2- 1 99.02 -1.41
+  100.0765 C5H10NO- 1 100.0768 -3.17
+  106.0423 C7H6O- 1 106.0424 -1.44
+  107.0502 C7H7O- 1 107.0502 -0.72
+  109.0408 C5H5N2O- 1 109.0407 0.15
+  110.061 C6H8NO- 1 110.0611 -0.89
+  111.0199 C4H3N2O2- 1 111.02 -0.55
+  113.0356 C4H5N2O2- 1 113.0357 -0.66
+  113.0719 C5H9N2O- 1 113.072 -1.21
+  114.0561 C5H8NO2- 1 114.0561 0.26
+  114.0924 C6H12NO- 1 114.0924 -0.62
+  119.0502 C8H7O- 1 119.0502 -0.36
+  123.0563 C6H7N2O- 1 123.0564 -0.62
+  124.0406 C6H6NO2- 1 124.0404 1.81
+  124.0765 C7H10NO- 1 124.0768 -2.26
+  125.0355 C5H5N2O2- 1 125.0357 -1.08
+  126.0196 C5H4NO3- 1 126.0197 -0.81
+  126.0668 C5H8N3O- 1 126.0673 -4.17
+  127.0512 C5H7N2O2- 1 127.0513 -1.12
+  128.0463 C4H6N3O2- 1 128.0466 -2.19
+  128.0718 C6H10NO2- 1 128.0717 0.39
+  129.1031 C6H13N2O- 1 129.1033 -1.47
+  130.062 C4H8N3O2- 1 130.0622 -1.76
+  134.0609 C8H8NO- 1 134.0611 -1.86
+  136.0763 C8H10NO- 1 136.0768 -3.3
+  139.0875 C7H11N2O- 1 139.0877 -1.4
+  140.0714 C7H10NO2- 1 140.0717 -2.18
+  141.1033 C7H13N2O- 1 141.1033 -0.43
+  143.1187 C7H15N2O- 1 143.119 -1.82
+  144.0775 C5H10N3O2- 1 144.0779 -2.11
+  149.0352 C7H5N2O2- 1 149.0357 -2.86
+  151.0876 C8H11N2O- 1 151.0877 -0.86
+  153.0665 C7H9N2O2- 1 153.067 -2.88
+  153.1013 C6H11N5- 2 153.102 -4.24
+  154.0742 C7H10N2O2- 1 154.0748 -3.61
+  155.0826 C7H11N2O2- 1 155.0826 0.21
+  162.0556 C9H8NO2- 1 162.0561 -2.68
+  163.0508 C8H7N2O2- 2 163.0513 -3.25
+  165.1025 C7H11N5- 1 165.102 3.11
+  166.0617 C7H8N3O2- 2 166.0622 -3.14
+  167.046 C7H7N2O3- 1 167.0462 -1.3
+  169.0725 C6H9N4O2- 3 169.0731 -3.29
+  169.0976 C8H13N2O2- 2 169.0983 -4.05
+  179.0819 C9H11N2O2- 2 179.0826 -4
+  183.1495 C8H17N5- 2 183.1489 3.04
+  184.072 C5H8N6O2- 2 184.0714 3.18
+  187.083 C6H11N4O3- 3 187.0837 -3.33
+  187.1077 C6H13N5O2- 1 187.1075 1.04
+  191.082 C8H9N5O- 2 191.0813 3.85
+  193.134 C11H17N2O- 2 193.1346 -3.19
+  196.1449 C8H16N6- 2 196.1442 3.38
+  198.124 C7H14N6O- 2 198.1235 2.85
+  209.1287 C9H15N5O- 2 209.1282 2.15
+  211.1443 C9H17N5O- 2 211.1439 1.86
+  212.1452 CH20N6O6- 2 212.145 1.13
+  219.0765 C9H9N5O2- 2 219.0762 1.51
+  222.1237 C9H14N6O- 2 222.1235 1.21
+  223.1071 C9H13N5O2- 3 223.1075 -1.58
+  236.1029 C9H12N6O2- 2 236.1027 0.96
+  239.1504 C10H23O6- 3 239.15 1.73
+  240.1709 C10H20N6O- 2 240.1704 1.98
+  250.1187 C10H14N6O2- 2 250.1184 1.23
+  250.1549 C11H18N6O- 2 250.1548 0.53
+  257.1602 C9H19N7O2- 3 257.1606 -1.48
+  258.1197 C8H20NO8- 3 258.1194 0.85
+  266.1499 C11H18N6O2- 2 266.1497 1.01
+  268.1657 C13H22N3O3- 2 268.1667 -3.76
+  293.1242 C13H17N4O4- 4 293.1255 -4.48
+PK$NUM_PEAK: 78
+PK$PEAK: m/z int. rel.int.
+  69.0457 63155.8 14
+  70.0295 43372.1 10
+  71.025 264786.8 62
+  73.0407 259620.7 61
+  74.0245 72002.5 17
+  82.0298 202538.8 47
+  84.009 405253.7 95
+  85.0406 135680 32
+  95.0251 294181.5 69
+  97.0406 64291.8 15
+  99.0199 63402.5 14
+  100.0765 66398.5 15
+  106.0423 118975.7 28
+  107.0502 231593.4 54
+  109.0408 142018.7 33
+  110.061 92430.6 21
+  111.0199 329094.4 77
+  113.0356 405817.6 95
+  113.0719 368881.8 87
+  114.0561 237250 56
+  114.0924 139392.4 32
+  119.0502 155007.5 36
+  123.0563 311263.1 73
+  124.0406 100018.9 23
+  124.0765 88409.4 20
+  125.0355 83614.4 19
+  126.0196 434922.1 102
+  126.0668 65221.9 15
+  127.0512 866709.9 204
+  128.0463 342780.1 80
+  128.0718 90525.9 21
+  129.1031 299102.5 70
+  130.062 1497609.2 353
+  134.0609 345809.4 81
+  136.0763 140035.2 33
+  139.0875 142952.3 33
+  140.0714 289709.5 68
+  141.1033 63924.6 15
+  143.1187 66174.2 15
+  144.0775 556846.1 131
+  149.0352 92271.7 21
+  151.0876 140567.3 33
+  153.0665 1090346.1 257
+  153.1013 122540.3 28
+  154.0742 204290.8 48
+  155.0826 171274.4 40
+  162.0556 159770.8 37
+  163.0508 47767 11
+  165.1025 55922.2 13
+  166.0617 2019247.5 476
+  167.046 132971.5 31
+  169.0725 171440.7 40
+  169.0976 706006.2 166
+  179.0819 1246733 294
+  183.1495 70892.9 16
+  184.072 133720.9 31
+  187.083 205341.8 48
+  187.1077 70776.4 16
+  191.082 128242.6 30
+  193.134 128803.6 30
+  196.1449 111281.6 26
+  198.124 45299.8 10
+  209.1287 99870.1 23
+  211.1443 4229671.5 999
+  212.1452 66959.2 15
+  219.0765 834571.7 197
+  222.1237 351256.8 82
+  223.1071 103122.6 24
+  236.1029 2346940.5 554
+  239.1504 227388.5 53
+  240.1709 125083.9 29
+  250.1187 75331.8 17
+  250.1549 359265.2 84
+  257.1602 95234.8 22
+  258.1197 66904.7 15
+  266.1499 270102.8 63
+  268.1657 625200.9 147
+  293.1242 249279.3 58
+//
diff --git a/Eawag/MSBNK-EAWAG-EC216557.txt b/Eawag/MSBNK-EAWAG-EC216557.txt
new file mode 100644
index 0000000000..f94776e057
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC216557.txt
@@ -0,0 +1,236 @@
+ACCESSION: MSBNK-EAWAG-EC216557
+RECORD_TITLE: Nostocyclopeptide Ncp-E2-L; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M-H]-; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md18090442
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2165
+CH$NAME: Nostocyclopeptide Ncp-E2-L
+CH$NAME: 2-(2-(2-amino-3-(4-hydroxyphenyl)propanamido)acetamido)-N1-(1-((3-hydroxy-1-(2-((4-methyl-1-oxopentan-2-yl)carbamoyl)pyrrolidin-1-yl)-1-oxopropan-2-yl)amino)-3-methyl-1-oxopentan-2-yl)pentanediamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C36H56N8O10
+CH$EXACT_MASS: 760.41194
+CH$SMILES: O=C(NC(C(NC(C(NC(C(N1C(C(NC(CC(C)C)C([H])=O)=O)CCC1)=O)CO)=O)C(C)CC)=O)CCC(N)=O)CNC(C(CC2=CC=C(O)C=C2)N)=O
+CH$IUPAC: InChI=1S/C36H56N8O10/c1-5-21(4)31(35(53)42-27(19-46)36(54)44-14-6-7-28(44)34(52)40-23(18-45)15-20(2)3)43-33(51)26(12-13-29(38)48)41-30(49)17-39-32(50)25(37)16-22-8-10-24(47)11-9-22/h8-11,18,20-21,23,25-28,31,46-47H,5-7,12-17,19,37H2,1-4H3,(H2,38,48)(H,39,50)(H,40,52)(H,41,49)(H,42,53)(H,43,51)
+CH$LINK: PUBCHEM CID:155802014
+CH$LINK: INCHIKEY CLSDHBVHQKWEJR-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-796
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.975 min
+MS$FOCUSED_ION: BASE_PEAK 837.4374
+MS$FOCUSED_ION: PRECURSOR_M/Z 759.4047
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0j59-1920000000-e56c26c676e4a8411da0
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  58.0297 C2H4NO- 1 58.0298 -1.92
+  66.0349 C4H4N- 1 66.0349 -0.64
+  69.0458 C3H5N2- 1 69.0458 -0.44
+  70.0298 C3H4NO- 1 70.0298 -0.75
+  71.025 C2H3N2O- 1 71.0251 -0.55
+  73.0407 C2H5N2O- 1 73.0407 -0.35
+  74.0247 C2H4NO2- 1 74.0248 -1.26
+  82.0298 C4H4NO- 1 82.0298 -0.62
+  82.0663 C5H8N- 1 82.0662 0.86
+  83.025 C3H3N2O- 1 83.0251 -0.93
+  84.009 C3H2NO2- 1 84.0091 -0.66
+  85.0407 C3H5N2O- 1 85.0407 -0.17
+  95.025 C4H3N2O- 1 95.0251 -0.89
+  96.0455 C5H6NO- 1 96.0455 -0.25
+  97.0407 C4H5N2O- 1 97.0407 -0.42
+  98.0609 C5H8NO- 1 98.0611 -2.36
+  99.0199 C3H3N2O2- 1 99.02 -0.64
+  99.0563 C4H7N2O- 1 99.0564 -0.5
+  99.0818 C6H11O- 1 99.0815 2.76
+  100.0769 C5H10NO- 1 100.0768 0.87
+  101.0355 C3H5N2O2- 1 101.0357 -1.19
+  106.0423 C7H6O- 1 106.0424 -1.23
+  107.0502 C7H7O- 1 107.0502 -0.15
+  109.0408 C5H5N2O- 1 109.0407 0.15
+  110.0611 C6H8NO- 1 110.0611 -0.47
+  111.0198 C4H3N2O2- 1 111.02 -1.58
+  111.0565 C5H7N2O- 1 111.0564 0.75
+  112.0278 C4H4N2O2- 1 112.0278 -0.2
+  112.0515 C4H6N3O- 1 112.0516 -1
+  112.0767 C6H10NO- 1 112.0768 -0.64
+  113.0356 C4H5N2O2- 1 113.0357 -0.46
+  113.072 C5H9N2O- 1 113.072 -0.4
+  114.056 C5H8NO2- 1 114.0561 -0.27
+  114.0923 C6H12NO- 1 114.0924 -0.89
+  119.0501 C8H7O- 1 119.0502 -1.13
+  123.0563 C6H7N2O- 1 123.0564 -0.38
+  124.0401 C6H6NO2- 1 124.0404 -2.62
+  124.0766 C7H10NO- 1 124.0768 -1.28
+  125.0353 C5H5N2O2- 1 125.0357 -2.67
+  125.0718 C6H9N2O- 1 125.072 -1.94
+  126.0197 C5H4NO3- 1 126.0197 0.16
+  126.0562 C6H8NO2- 1 126.0561 1.42
+  126.0924 C7H12NO- 1 126.0924 -0.64
+  127.0512 C5H7N2O2- 1 127.0513 -0.82
+  127.0876 C6H11N2O- 1 127.0877 -0.47
+  128.0465 C4H6N3O2- 1 128.0466 -0.05
+  128.0717 C6H10NO2- 1 128.0717 -0.09
+  129.1032 C6H13N2O- 1 129.1033 -1.23
+  130.062 C4H8N3O2- 1 130.0622 -1.64
+  134.0609 C8H8NO- 1 134.0611 -1.52
+  136.0766 C8H10NO- 1 136.0768 -1.28
+  139.0512 C6H7N2O2- 1 139.0513 -0.79
+  139.0876 C7H11N2O- 1 139.0877 -0.64
+  140.0714 C7H10NO2- 1 140.0717 -2.5
+  140.0831 C6H10N3O- 1 140.0829 1.29
+  141.1031 C7H13N2O- 1 141.1033 -1.62
+  143.1187 C7H15N2O- 1 143.119 -2.25
+  144.0775 C5H10N3O2- 1 144.0779 -2.43
+  148.0511 C7H6N3O- 1 148.0516 -3.69
+  149.0355 C7H5N2O2- 1 149.0357 -1.02
+  153.0666 C7H9N2O2- 1 153.067 -2.59
+  153.102 C6H11N5- 1 153.102 0.25
+  154.0744 C7H10N2O2- 1 154.0748 -2.32
+  155.0822 C7H11N2O2- 1 155.0826 -2.35
+  156.0773 C6H10N3O2- 1 156.0779 -3.25
+  162.0556 C9H8NO2- 1 162.0561 -2.78
+  163.0511 C8H7N2O2- 1 163.0513 -1.1
+  165.1026 C7H11N5- 2 165.102 3.47
+  166.0616 C7H8N3O2- 2 166.0622 -3.32
+  167.0457 C7H7N2O3- 2 167.0462 -3.22
+  167.0821 C8H11N2O2- 1 167.0826 -2.82
+  169.0725 C6H9N4O2- 3 169.0731 -3.65
+  169.0976 C8H13N2O2- 2 169.0983 -3.68
+  171.1131 C6H13N5O- 2 171.1126 3.31
+  179.0821 C9H11N2O2- 2 179.0826 -3.06
+  179.1172 C8H13N5- 1 179.1176 -2.43
+  181.1338 C10H17N2O- 2 181.1346 -4.59
+  183.1137 C9H15N2O2- 1 183.1139 -0.83
+  183.1494 C8H17N5- 1 183.1489 2.29
+  184.072 C5H8N6O2- 2 184.0714 3.26
+  186.1244 C8H16N3O2- 1 186.1248 -2.06
+  187.0831 C6H11N4O3- 3 187.0837 -3.09
+  191.0819 C8H9N5O- 2 191.0813 3.29
+  193.134 C11H17N2O- 2 193.1346 -3.42
+  196.1443 C8H16N6- 1 196.1442 0.73
+  200.1397 C9H18N3O2- 2 200.1405 -3.87
+  201.0989 C6H17O7- 3 201.098 4.49
+  211.1442 C9H17N5O- 2 211.1439 1.72
+  212.1448 CH20N6O6- 2 212.145 -0.81
+  219.0767 C9H9N5O2- 2 219.0762 2.2
+  222.1235 C9H14N6O- 1 222.1235 0.32
+  227.1749 C10H21N5O- 3 227.1752 -1.29
+  236.1029 C9H12N6O2- 2 236.1027 0.7
+  239.1506 C10H23O6- 3 239.15 2.43
+  240.1708 C10H20N6O- 2 240.1704 1.66
+  250.1547 C11H18N6O- 1 250.1548 -0.27
+  266.1509 C13H20N3O3- 2 266.151 -0.36
+PK$NUM_PEAK: 97
+PK$PEAK: m/z int. rel.int.
+  58.0297 48615.5 17
+  66.0349 37156.1 13
+  69.0458 77167.2 27
+  70.0298 69010.1 24
+  71.025 381690.8 137
+  73.0407 376024.2 135
+  74.0247 96486.5 34
+  82.0298 306021.1 110
+  82.0663 86927.9 31
+  83.025 71463.1 25
+  84.009 366290.1 132
+  85.0407 198758.7 71
+  95.025 267379 96
+  96.0455 70428.4 25
+  97.0407 101866.1 36
+  98.0609 53867.3 19
+  99.0199 144713.4 52
+  99.0563 50819.1 18
+  99.0818 32444.7 11
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+  109.0408 161731.5 58
+  110.0611 176651.1 63
+  111.0198 377352.3 136
+  111.0565 40458.1 14
+  112.0278 31913.2 11
+  112.0515 342622.2 123
+  112.0767 54664.9 19
+  113.0356 405762.1 146
+  113.072 433915.3 156
+  114.056 416097.6 150
+  114.0923 293843 106
+  119.0501 263115.2 94
+  123.0563 437409.3 157
+  124.0401 103456.4 37
+  124.0766 195457.7 70
+  125.0353 149681.5 54
+  125.0718 51650 18
+  126.0197 262828.6 94
+  126.0562 37974.6 13
+  126.0924 28381.1 10
+  127.0512 609629 220
+  127.0876 77220.6 27
+  128.0465 269713.9 97
+  128.0717 161376 58
+  129.1032 406669.2 146
+  130.062 1582589.5 571
+  134.0609 386895.9 139
+  136.0766 77867.6 28
+  139.0512 52207.7 18
+  139.0876 222396.4 80
+  140.0714 323655.7 116
+  140.0831 41184.9 14
+  141.1031 102846.7 37
+  143.1187 122544 44
+  144.0775 236780.9 85
+  148.0511 63999.5 23
+  149.0355 134050.8 48
+  153.0666 1140786.8 411
+  153.102 158900.4 57
+  154.0744 443366.4 160
+  155.0822 146140.7 52
+  156.0773 45450.7 16
+  162.0556 207054 74
+  163.0511 38407.3 13
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+  166.0616 1037493.7 374
+  167.0457 49822.3 17
+  167.0821 87231 31
+  169.0725 340294.9 122
+  169.0976 446898.6 161
+  171.1131 105077.7 37
+  179.0821 548047.3 197
+  179.1172 142304.7 51
+  181.1338 50398.7 18
+  183.1137 49692 17
+  183.1494 63601.9 22
+  184.072 72598.8 26
+  186.1244 188116.3 67
+  187.0831 154599.2 55
+  191.0819 74694.1 26
+  193.134 152221.8 54
+  196.1443 75501.5 27
+  200.1397 50998.2 18
+  201.0989 43215.7 15
+  211.1442 2767225 999
+  212.1448 32717.2 11
+  219.0767 239201.6 86
+  222.1235 186559.5 67
+  227.1749 44749.6 16
+  236.1029 605409 218
+  239.1506 136523.4 49
+  240.1708 64982.3 23
+  250.1547 163072.8 58
+  266.1509 192215.4 69
+//
diff --git a/Eawag/MSBNK-EAWAG-EC216558.txt b/Eawag/MSBNK-EAWAG-EC216558.txt
new file mode 100644
index 0000000000..23f97a3ddc
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC216558.txt
@@ -0,0 +1,218 @@
+ACCESSION: MSBNK-EAWAG-EC216558
+RECORD_TITLE: Nostocyclopeptide Ncp-E2-L; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M-H]-; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md18090442
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2165
+CH$NAME: Nostocyclopeptide Ncp-E2-L
+CH$NAME: 2-(2-(2-amino-3-(4-hydroxyphenyl)propanamido)acetamido)-N1-(1-((3-hydroxy-1-(2-((4-methyl-1-oxopentan-2-yl)carbamoyl)pyrrolidin-1-yl)-1-oxopropan-2-yl)amino)-3-methyl-1-oxopentan-2-yl)pentanediamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C36H56N8O10
+CH$EXACT_MASS: 760.41194
+CH$SMILES: O=C(NC(C(NC(C(NC(C(N1C(C(NC(CC(C)C)C([H])=O)=O)CCC1)=O)CO)=O)C(C)CC)=O)CCC(N)=O)CNC(C(CC2=CC=C(O)C=C2)N)=O
+CH$IUPAC: InChI=1S/C36H56N8O10/c1-5-21(4)31(35(53)42-27(19-46)36(54)44-14-6-7-28(44)34(52)40-23(18-45)15-20(2)3)43-33(51)26(12-13-29(38)48)41-30(49)17-39-32(50)25(37)16-22-8-10-24(47)11-9-22/h8-11,18,20-21,23,25-28,31,46-47H,5-7,12-17,19,37H2,1-4H3,(H2,38,48)(H,39,50)(H,40,52)(H,41,49)(H,42,53)(H,43,51)
+CH$LINK: PUBCHEM CID:155802014
+CH$LINK: INCHIKEY CLSDHBVHQKWEJR-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-796
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.975 min
+MS$FOCUSED_ION: BASE_PEAK 837.4374
+MS$FOCUSED_ION: PRECURSOR_M/Z 759.4047
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0irr-2910000000-48dc21d8c8278c71dff0
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  58.0298 C2H4NO- 1 58.0298 -0.74
+  59.014 C2H3O2- 1 59.0139 3.22
+  69.0458 C3H5N2- 1 69.0458 -0.33
+  70.0298 C3H4NO- 1 70.0298 -0.53
+  71.025 C2H3N2O- 1 71.0251 -1.19
+  72.0455 C3H6NO- 1 72.0455 0.2
+  73.0407 C2H5N2O- 1 73.0407 -0.66
+  74.0248 C2H4NO2- 1 74.0248 0.08
+  80.0507 C5H6N- 1 80.0506 1.88
+  81.0223 C4H3NO- 1 81.022 3.87
+  82.0298 C4H4NO- 1 82.0298 -0.15
+  82.0661 C5H8N- 1 82.0662 -1.19
+  83.0249 C3H3N2O- 1 83.0251 -2.13
+  84.0091 C3H2NO2- 1 84.0091 -0.39
+  85.0407 C3H5N2O- 1 85.0407 -0.7
+  87.0563 C3H7N2O- 1 87.0564 -0.56
+  93.0345 C6H5O- 1 93.0346 -0.66
+  95.025 C4H3N2O- 1 95.0251 -0.49
+  96.0457 C5H6NO- 1 96.0455 2.13
+  97.0405 C4H5N2O- 1 97.0407 -2.31
+  99.0198 C3H3N2O2- 1 99.02 -1.88
+  99.0564 C4H7N2O- 1 99.0564 -0.04
+  99.082 C6H11O- 1 99.0815 4.99
+  100.0769 C5H10NO- 1 100.0768 1.17
+  101.0354 C3H5N2O2- 1 101.0357 -2.85
+  106.0424 C7H6O- 1 106.0424 -0.36
+  107.0502 C7H7O- 1 107.0502 -0.08
+  109.0407 C5H5N2O- 1 109.0407 -0.62
+  110.0609 C6H8NO- 1 110.0611 -2.42
+  111.02 C4H3N2O2- 1 111.02 -0.35
+  112.028 C4H4N2O2- 1 112.0278 1.71
+  112.0515 C4H6N3O- 1 112.0516 -1.54
+  113.0357 C4H5N2O2- 1 113.0357 0.69
+  113.0719 C5H9N2O- 1 113.072 -0.94
+  114.056 C5H8NO2- 1 114.0561 -0.68
+  114.0923 C6H12NO- 1 114.0924 -0.89
+  119.0501 C8H7O- 1 119.0502 -1.26
+  121.041 C6H5N2O- 1 121.0407 2.33
+  123.0563 C6H7N2O- 1 123.0564 -0.62
+  124.0405 C6H6NO2- 1 124.0404 0.76
+  124.0768 C7H10NO- 1 124.0768 0.32
+  125.0353 C5H5N2O2- 1 125.0357 -2.91
+  126.0197 C5H4NO3- 1 126.0197 0.34
+  126.0567 C6H8NO2- 1 126.0561 4.87
+  126.0674 C5H8N3O- 1 126.0673 0.91
+  126.0923 C7H12NO- 1 126.0924 -1.25
+  127.0512 C5H7N2O2- 1 127.0513 -0.94
+  127.0877 C6H11N2O- 1 127.0877 0.49
+  128.0462 C4H6N3O2- 1 128.0466 -2.55
+  129.1032 C6H13N2O- 1 129.1033 -1.23
+  130.062 C4H8N3O2- 1 130.0622 -1.41
+  134.061 C8H8NO- 1 134.0611 -0.73
+  136.0768 C8H10NO- 1 136.0768 0.07
+  139.0515 C6H7N2O2- 1 139.0513 1.18
+  139.0874 C7H11N2O- 1 139.0877 -2.28
+  140.0716 C7H10NO2- 1 140.0717 -0.87
+  140.0835 C6H10N3O- 1 140.0829 3.68
+  141.1032 C7H13N2O- 1 141.1033 -1.29
+  143.1186 C7H15N2O- 1 143.119 -2.57
+  144.0774 C5H10N3O2- 1 144.0779 -3.38
+  148.0519 C7H6N3O- 1 148.0516 1.46
+  149.0351 C7H5N2O2- 1 149.0357 -3.47
+  151.0873 C8H11N2O- 1 151.0877 -2.68
+  153.0666 C7H9N2O2- 1 153.067 -2.49
+  153.1017 C6H11N5- 1 153.102 -2.15
+  154.0744 C7H10N2O2- 1 154.0748 -2.72
+  162.0556 C9H8NO2- 1 162.0561 -2.87
+  163.0514 C8H7N2O2- 1 163.0513 0.58
+  166.0616 C7H8N3O2- 2 166.0622 -3.5
+  166.1236 C10H16NO- 1 166.1237 -0.93
+  167.0823 C8H11N2O2- 1 167.0826 -2.08
+  168.114 C8H14N3O- 1 168.1142 -1.34
+  169.073 C6H9N4O2- 1 169.0731 -0.31
+  169.0979 C8H13N2O2- 1 169.0983 -1.79
+  179.0823 C9H11N2O2- 1 179.0826 -1.87
+  179.1183 C8H13N5- 2 179.1176 3.87
+  181.0977 C9H13N2O2- 2 181.0983 -3.11
+  183.1135 C9H15N2O2- 1 183.1139 -2.33
+  183.1498 C8H17N5- 2 183.1489 4.46
+  186.1246 C8H16N3O2- 1 186.1248 -1.08
+  187.0834 C6H11N4O3- 1 187.0837 -1.62
+  193.1337 C11H17N2O- 2 193.1346 -4.93
+  196.145 C8H16N6- 2 196.1442 4.23
+  200.1402 C9H18N3O2- 1 200.1405 -1.36
+  209.1292 C9H15N5O- 2 209.1282 4.92
+  211.1443 C9H17N5O- 2 211.1439 2.08
+  219.077 C9H9N5O2- 2 219.0762 3.67
+  236.1023 C9H12N6O2- 2 236.1027 -1.94
+PK$NUM_PEAK: 88
+PK$PEAK: m/z int. rel.int.
+  58.0298 101252.7 81
+  59.014 28229.7 22
+  69.0458 83207.4 67
+  70.0298 85600.7 69
+  71.025 418311.9 337
+  72.0455 35558.6 28
+  73.0407 653778.6 527
+  74.0248 82048.9 66
+  80.0507 57478.7 46
+  81.0223 26447.8 21
+  82.0298 349249.7 281
+  82.0661 161630.1 130
+  83.0249 144472.6 116
+  84.0091 579241.8 467
+  85.0407 240647 194
+  87.0563 69479.2 56
+  93.0345 21762.2 17
+  95.025 285634.9 230
+  96.0457 56148.7 45
+  97.0405 133925.4 108
+  99.0198 129641.6 104
+  99.0564 66356.3 53
+  99.082 37717 30
+  100.0769 176628.9 142
+  101.0354 25968.2 20
+  106.0424 166888.2 134
+  107.0502 327570.8 264
+  109.0407 155395.5 125
+  110.0609 169929 137
+  111.02 386598.1 311
+  112.028 64219 51
+  112.0515 441618.4 356
+  113.0357 332003.3 267
+  113.0719 420897.9 339
+  114.056 483367.1 390
+  114.0923 334265.7 269
+  119.0501 294186.8 237
+  121.041 19930.4 16
+  123.0563 427734.6 345
+  124.0405 61224.5 49
+  124.0768 186177.1 150
+  125.0353 138409.9 111
+  126.0197 117089.3 94
+  126.0567 24448.4 19
+  126.0674 70520.8 56
+  126.0923 40457 32
+  127.0512 429810.8 346
+  127.0877 70141.5 56
+  128.0462 129437.1 104
+  129.1032 373645.9 301
+  130.062 982979.2 793
+  134.061 313465.6 252
+  136.0768 43831.1 35
+  139.0515 67419.6 54
+  139.0874 273101.1 220
+  140.0716 191802.5 154
+  140.0835 54806.9 44
+  141.1032 139800.4 112
+  143.1186 170414.2 137
+  144.0774 101096.6 81
+  148.0519 57781.8 46
+  149.0351 121082.5 97
+  151.0873 161580.3 130
+  153.0666 902081.1 727
+  153.1017 107190.6 86
+  154.0744 639433.5 516
+  162.0556 187275.5 151
+  163.0514 20470.9 16
+  166.0616 401960.7 324
+  166.1236 43392.6 35
+  167.0823 45820.7 36
+  168.114 135477.6 109
+  169.073 280127.2 226
+  169.0979 239942.3 193
+  179.0823 186756.6 150
+  179.1183 103371.9 83
+  181.0977 69329.4 55
+  183.1135 23232.9 18
+  183.1498 62040.3 50
+  186.1246 103855.4 83
+  187.0834 44571.2 35
+  193.1337 113100.4 91
+  196.145 37261 30
+  200.1402 33819.6 27
+  209.1292 59474.2 47
+  211.1443 1237913.4 999
+  219.077 48955.9 39
+  236.1023 96480.2 77
+//
diff --git a/Eawag/MSBNK-EAWAG-EC216559.txt b/Eawag/MSBNK-EAWAG-EC216559.txt
new file mode 100644
index 0000000000..7f1df192cd
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC216559.txt
@@ -0,0 +1,188 @@
+ACCESSION: MSBNK-EAWAG-EC216559
+RECORD_TITLE: Nostocyclopeptide Ncp-E2-L; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M-H]-; First mass: 40
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md18090442
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2165
+CH$NAME: Nostocyclopeptide Ncp-E2-L
+CH$NAME: 2-(2-(2-amino-3-(4-hydroxyphenyl)propanamido)acetamido)-N1-(1-((3-hydroxy-1-(2-((4-methyl-1-oxopentan-2-yl)carbamoyl)pyrrolidin-1-yl)-1-oxopropan-2-yl)amino)-3-methyl-1-oxopentan-2-yl)pentanediamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C36H56N8O10
+CH$EXACT_MASS: 760.41194
+CH$SMILES: O=C(NC(C(NC(C(NC(C(N1C(C(NC(CC(C)C)C([H])=O)=O)CCC1)=O)CO)=O)C(C)CC)=O)CCC(N)=O)CNC(C(CC2=CC=C(O)C=C2)N)=O
+CH$IUPAC: InChI=1S/C36H56N8O10/c1-5-21(4)31(35(53)42-27(19-46)36(54)44-14-6-7-28(44)34(52)40-23(18-45)15-20(2)3)43-33(51)26(12-13-29(38)48)41-30(49)17-39-32(50)25(37)16-22-8-10-24(47)11-9-22/h8-11,18,20-21,23,25-28,31,46-47H,5-7,12-17,19,37H2,1-4H3,(H2,38,48)(H,39,50)(H,40,52)(H,41,49)(H,42,53)(H,43,51)
+CH$LINK: PUBCHEM CID:155802014
+CH$LINK: INCHIKEY CLSDHBVHQKWEJR-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-796
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.975 min
+MS$FOCUSED_ION: BASE_PEAK 837.4374
+MS$FOCUSED_ION: PRECURSOR_M/Z 759.4047
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0h3r-4900000000-d1449d887dd1d0288e96
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  58.0298 C2H4NO- 1 58.0298 -0.93
+  65.9987 C3NO- 1 65.9985 2.72
+  66.0348 C4H4N- 1 66.0349 -1.22
+  69.046 C3H5N2- 1 69.0458 2.21
+  70.0299 C3H4NO- 1 70.0298 0.67
+  71.025 C2H3N2O- 1 71.0251 -0.66
+  72.0454 C3H6NO- 1 72.0455 -1.7
+  73.0407 C2H5N2O- 1 73.0407 -0.56
+  74.0249 C2H4NO2- 1 74.0248 2.14
+  80.0506 C5H6N- 1 80.0506 0.35
+  81.0222 C4H3NO- 1 81.022 2.09
+  82.0298 C4H4NO- 1 82.0298 -0.8
+  82.0661 C5H8N- 1 82.0662 -1
+  83.0251 C3H3N2O- 1 83.0251 0.35
+  84.009 C3H2NO2- 1 84.0091 -1.02
+  85.0406 C3H5N2O- 1 85.0407 -1.15
+  87.0564 C3H7N2O- 1 87.0564 0.31
+  93.0349 C6H5O- 1 93.0346 3.2
+  95.0249 C4H3N2O- 1 95.0251 -1.93
+  96.0456 C5H6NO- 1 96.0455 1.26
+  97.0407 C4H5N2O- 1 97.0407 -0.03
+  99.0198 C3H3N2O2- 1 99.02 -1.88
+  99.0564 C4H7N2O- 1 99.0564 0.5
+  99.0814 C6H11O- 1 99.0815 -1.56
+  100.0767 C5H10NO- 1 100.0768 -0.88
+  106.0422 C7H6O- 1 106.0424 -2.02
+  107.0502 C7H7O- 1 107.0502 -0.36
+  109.0406 C5H5N2O- 1 109.0407 -1.46
+  110.061 C6H8NO- 1 110.0611 -1.65
+  111.02 C4H3N2O2- 1 111.02 -0.21
+  112.028 C4H4N2O2- 1 112.0278 1.91
+  112.0515 C4H6N3O- 1 112.0516 -0.79
+  112.0769 C6H10NO- 1 112.0768 0.65
+  113.0356 C4H5N2O2- 1 113.0357 -0.86
+  113.0719 C5H9N2O- 1 113.072 -1.07
+  114.056 C5H8NO2- 1 114.0561 -0.88
+  114.0923 C6H12NO- 1 114.0924 -1.02
+  119.0501 C8H7O- 1 119.0502 -1.58
+  121.0409 C6H5N2O- 1 121.0407 0.95
+  123.0561 C6H7N2O- 1 123.0564 -1.99
+  124.0404 C6H6NO2- 1 124.0404 -0.16
+  124.0767 C7H10NO- 1 124.0768 -0.97
+  125.0358 C5H5N2O2- 1 125.0357 0.93
+  125.072 C6H9N2O- 1 125.072 -0.3
+  126.02 C5H4NO3- 1 126.0197 2.82
+  127.0511 C5H7N2O2- 1 127.0513 -1.66
+  127.0877 C6H11N2O- 1 127.0877 0.49
+  128.0467 C4H6N3O2- 1 128.0466 1.03
+  128.0717 C6H10NO2- 1 128.0717 -0.33
+  129.1029 C6H13N2O- 1 129.1033 -3.12
+  130.0619 C4H8N3O2- 1 130.0622 -1.99
+  134.0609 C8H8NO- 1 134.0611 -2.09
+  136.0765 C8H10NO- 1 136.0768 -1.84
+  139.051 C6H7N2O2- 1 139.0513 -2
+  139.0875 C7H11N2O- 1 139.0877 -1.62
+  140.0833 C6H10N3O- 1 140.0829 2.27
+  141.1034 C7H13N2O- 1 141.1033 0.55
+  142.0623 C5H8N3O2- 1 142.0622 0.46
+  143.1184 C7H15N2O- 1 143.119 -4.17
+  149.0355 C7H5N2O2- 1 149.0357 -1.02
+  151.0872 C8H11N2O- 1 151.0877 -2.98
+  152.0585 C7H8N2O2- 2 152.0591 -3.96
+  153.0666 C7H9N2O2- 1 153.067 -2.29
+  153.1026 C6H11N5- 2 153.102 4.23
+  154.0744 C7H10N2O2- 1 154.0748 -2.62
+  162.0559 C9H8NO2- 1 162.0561 -1.18
+  163.0509 C8H7N2O2- 1 163.0513 -2.6
+  166.0614 C7H8N3O2- 2 166.0622 -4.61
+  168.1138 C8H14N3O- 1 168.1142 -2.52
+  169.0977 C8H13N2O2- 2 169.0983 -3.05
+  179.0825 C9H11N2O2- 1 179.0826 -0.76
+  193.1343 C11H17N2O- 1 193.1346 -1.53
+  211.144 C9H17N5O- 1 211.1439 0.78
+PK$NUM_PEAK: 73
+PK$PEAK: m/z int. rel.int.
+  58.0298 92517.4 125
+  65.9987 43603.5 59
+  66.0348 82958.4 112
+  69.046 56181.9 76
+  70.0299 72828.3 98
+  71.025 246274 333
+  72.0454 37015.8 50
+  73.0407 738207.7 999
+  74.0249 64137.2 86
+  80.0506 60372.5 81
+  81.0222 54252.7 73
+  82.0298 364359.5 493
+  82.0661 195483.5 264
+  83.0251 148020.7 200
+  84.009 707937.8 958
+  85.0406 186912.9 252
+  87.0564 43993.9 59
+  93.0349 28501.7 38
+  95.0249 188102.9 254
+  96.0456 52277.5 70
+  97.0407 117612.7 159
+  99.0198 85888.2 116
+  99.0564 83224.7 112
+  99.0814 41696.5 56
+  100.0767 108060.8 146
+  106.0422 112432.6 152
+  107.0502 277950.6 376
+  109.0406 110976.8 150
+  110.061 127390.3 172
+  111.02 283378.1 383
+  112.028 41536.4 56
+  112.0515 366468.7 495
+  112.0769 69802.5 94
+  113.0356 221624 299
+  113.0719 277651.5 375
+  114.056 461004.2 623
+  114.0923 249557.5 337
+  119.0501 260828.6 352
+  121.0409 29047.5 39
+  123.0561 385692.3 521
+  124.0404 37182 50
+  124.0767 121179 163
+  125.0358 89526.8 121
+  125.072 71484.9 96
+  126.02 68532 92
+  127.0511 209929.8 284
+  127.0877 37341.6 50
+  128.0467 63474 85
+  128.0717 54754.6 74
+  129.1029 228568.1 309
+  130.0619 499690.8 676
+  134.0609 257329.5 348
+  136.0765 24977.4 33
+  139.051 24996 33
+  139.0875 229471.1 310
+  140.0833 41318.9 55
+  141.1034 89648.3 121
+  142.0623 22225.2 30
+  143.1184 119760.3 162
+  149.0355 69274.1 93
+  151.0872 93715.1 126
+  152.0585 32233.6 43
+  153.0666 573924.3 776
+  153.1026 55618.6 75
+  154.0744 521498 705
+  162.0559 79115.2 107
+  163.0509 21867.9 29
+  166.0614 136962.3 185
+  168.1138 130868.4 177
+  169.0977 82768.2 112
+  179.0825 41204.3 55
+  193.1343 60088.4 81
+  211.144 388449.3 525
+//
diff --git a/Eawag/MSBNK-EAWAG-EC224001.txt b/Eawag/MSBNK-EAWAG-EC224001.txt
new file mode 100644
index 0000000000..624e54ce98
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC224001.txt
@@ -0,0 +1,49 @@
+ACCESSION: MSBNK-EAWAG-EC224001
+RECORD_TITLE: Microginin 299A; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.21577/0100-4042.20170640
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2240
+CH$NAME: Microginin 299A
+CH$NAME: (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-3-amino-10-chloro-2-hydroxydecanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C45H67ClN6O10
+CH$EXACT_MASS: 886.46072
+CH$SMILES: CC(C)[C@@H](C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)[C@@H](CC1=CC=C(C=C1)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)O)NC(=O)[C@H]([C@H](CCCCCCCCl)N)O
+CH$IUPAC: InChI=1S/C45H67ClN6O10/c1-27(2)37(49-41(57)39(55)33(47)13-10-8-7-9-11-23-46)43(59)51(6)38(28(3)4)44(60)50(5)36(26-30-17-21-32(54)22-18-30)42(58)52-24-12-14-35(52)40(56)48-34(45(61)62)25-29-15-19-31(53)20-16-29/h15-22,27-28,33-39,53-55H,7-14,23-26,47H2,1-6H3,(H,48,56)(H,49,57)(H,61,62)/t33-,34-,35-,36-,37-,38-,39-/m0/s1
+CH$LINK: PUBCHEM CID:10056525
+CH$LINK: INCHIKEY GTUNZCVHPMEXMH-ZTYVOHGWSA-N
+CH$LINK: CHEMSPIDER 8232083
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-926
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.763 min
+MS$FOCUSED_ION: BASE_PEAK 132.9583
+MS$FOCUSED_ION: PRECURSOR_M/Z 887.468
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0a59-0000907000-af2aa1cdc2a5af4d5825
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  432.2626 C21H39ClN3O4+ 7 432.2624 0.59
+  456.2136 C21H33ClN4O5+ 7 456.2134 0.54
+  609.3422 C36H49O8+ 9 609.3422 0.07
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  432.2626 5350350.5 999
+  456.2136 640991.6 119
+  609.3422 4748199 886
+//
diff --git a/Eawag/MSBNK-EAWAG-EC224002.txt b/Eawag/MSBNK-EAWAG-EC224002.txt
new file mode 100644
index 0000000000..d04a26ee33
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC224002.txt
@@ -0,0 +1,65 @@
+ACCESSION: MSBNK-EAWAG-EC224002
+RECORD_TITLE: Microginin 299A; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.21577/0100-4042.20170640
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2240
+CH$NAME: Microginin 299A
+CH$NAME: (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-3-amino-10-chloro-2-hydroxydecanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C45H67ClN6O10
+CH$EXACT_MASS: 886.46072
+CH$SMILES: CC(C)[C@@H](C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)[C@@H](CC1=CC=C(C=C1)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)O)NC(=O)[C@H]([C@H](CCCCCCCCl)N)O
+CH$IUPAC: InChI=1S/C45H67ClN6O10/c1-27(2)37(49-41(57)39(55)33(47)13-10-8-7-9-11-23-46)43(59)51(6)38(28(3)4)44(60)50(5)36(26-30-17-21-32(54)22-18-30)42(58)52-24-12-14-35(52)40(56)48-34(45(61)62)25-29-15-19-31(53)20-16-29/h15-22,27-28,33-39,53-55H,7-14,23-26,47H2,1-6H3,(H,48,56)(H,49,57)(H,61,62)/t33-,34-,35-,36-,37-,38-,39-/m0/s1
+CH$LINK: PUBCHEM CID:10056525
+CH$LINK: INCHIKEY GTUNZCVHPMEXMH-ZTYVOHGWSA-N
+CH$LINK: CHEMSPIDER 8232083
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-926
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.763 min
+MS$FOCUSED_ION: BASE_PEAK 132.9583
+MS$FOCUSED_ION: PRECURSOR_M/Z 887.468
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-053r-0100904000-20550dd4728767394694
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  86.0965 C5H12N+ 1 86.0964 0.81
+  132.102 C6H14NO2+ 2 132.1019 0.38
+  150.0914 C9H12NO+ 2 150.0913 0.19
+  206.0813 C11H12NO3+ 3 206.0812 0.47
+  301.1669 C18H23NO3+ 5 301.1672 -1.17
+  319.1776 C18H25NO4+ 6 319.1778 -0.69
+  369.1935 C22H27NO4+ 6 369.1935 0.09
+  432.2624 C21H39ClN3O4+ 6 432.2624 0.02
+  456.2133 C21H33ClN4O5+ 6 456.2134 -0.19
+  496.2576 C25H39ClN3O5+ 8 496.2573 0.61
+  609.3421 C36H49O8+ 9 609.3422 -0.23
+PK$NUM_PEAK: 11
+PK$PEAK: m/z int. rel.int.
+  86.0965 311264.2 52
+  132.102 402460.5 67
+  150.0914 732858.6 123
+  206.0813 127551.6 21
+  301.1669 209522.8 35
+  319.1776 75392.5 12
+  369.1935 97133.3 16
+  432.2624 5918323 999
+  456.2133 625698.2 105
+  496.2576 331020.4 55
+  609.3421 3582875.2 604
+//
diff --git a/Eawag/MSBNK-EAWAG-EC224003.txt b/Eawag/MSBNK-EAWAG-EC224003.txt
new file mode 100644
index 0000000000..4f544831d3
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC224003.txt
@@ -0,0 +1,77 @@
+ACCESSION: MSBNK-EAWAG-EC224003
+RECORD_TITLE: Microginin 299A; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.21577/0100-4042.20170640
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2240
+CH$NAME: Microginin 299A
+CH$NAME: (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-3-amino-10-chloro-2-hydroxydecanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C45H67ClN6O10
+CH$EXACT_MASS: 886.46072
+CH$SMILES: CC(C)[C@@H](C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)[C@@H](CC1=CC=C(C=C1)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)O)NC(=O)[C@H]([C@H](CCCCCCCCl)N)O
+CH$IUPAC: InChI=1S/C45H67ClN6O10/c1-27(2)37(49-41(57)39(55)33(47)13-10-8-7-9-11-23-46)43(59)51(6)38(28(3)4)44(60)50(5)36(26-30-17-21-32(54)22-18-30)42(58)52-24-12-14-35(52)40(56)48-34(45(61)62)25-29-15-19-31(53)20-16-29/h15-22,27-28,33-39,53-55H,7-14,23-26,47H2,1-6H3,(H,48,56)(H,49,57)(H,61,62)/t33-,34-,35-,36-,37-,38-,39-/m0/s1
+CH$LINK: PUBCHEM CID:10056525
+CH$LINK: INCHIKEY GTUNZCVHPMEXMH-ZTYVOHGWSA-N
+CH$LINK: CHEMSPIDER 8232083
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-926
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.763 min
+MS$FOCUSED_ION: BASE_PEAK 132.9583
+MS$FOCUSED_ION: PRECURSOR_M/Z 887.468
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0f89-2711902000-89600181df088b4df713
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  86.0965 C5H12N+ 1 86.0964 0.72
+  131.1178 C6H15N2O+ 2 131.1179 -0.46
+  132.102 C6H14NO2+ 2 132.1019 0.38
+  150.0914 C9H12NO+ 2 150.0913 0.09
+  162.1044 C8H17ClN+ 2 162.1044 0.16
+  178.0865 C10H12NO2+ 2 178.0863 1.1
+  192.1158 C9H19ClNO+ 2 192.115 4.32
+  195.1127 C10H15N2O2+ 3 195.1128 -0.61
+  196.1335 C11H18NO2+ 2 196.1332 1.31
+  202.0992 C10H17ClNO+ 2 202.0993 -0.72
+  206.0809 C11H12NO3+ 3 206.0812 -1.08
+  271.165 C13H23N2O4+ 4 271.1652 -0.71
+  301.1671 C18H23NO3+ 5 301.1672 -0.46
+  414.2521 C21H37ClN3O3+ 7 414.2518 0.72
+  432.2624 C21H39ClN3O4+ 7 432.2624 0.16
+  496.2573 C25H39ClN3O5+ 7 496.2573 0.12
+  609.3421 C36H49O8+ 9 609.3422 -0.23
+PK$NUM_PEAK: 17
+PK$PEAK: m/z int. rel.int.
+  86.0965 1303989.2 389
+  131.1178 77759.1 23
+  132.102 1007320.8 300
+  150.0914 1745277.8 521
+  162.1044 333276.1 99
+  178.0865 69531.4 20
+  192.1158 50293.3 15
+  195.1127 135798.5 40
+  196.1335 35342.8 10
+  202.0992 35292.5 10
+  206.0809 328623 98
+  271.165 127901.4 38
+  301.1671 582105.2 173
+  414.2521 180358.8 53
+  432.2624 3346087 999
+  496.2573 741109 221
+  609.3421 1055877.2 315
+//
diff --git a/Eawag/MSBNK-EAWAG-EC224004.txt b/Eawag/MSBNK-EAWAG-EC224004.txt
new file mode 100644
index 0000000000..cf0126ee25
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC224004.txt
@@ -0,0 +1,85 @@
+ACCESSION: MSBNK-EAWAG-EC224004
+RECORD_TITLE: Microginin 299A; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.21577/0100-4042.20170640
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2240
+CH$NAME: Microginin 299A
+CH$NAME: (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-3-amino-10-chloro-2-hydroxydecanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C45H67ClN6O10
+CH$EXACT_MASS: 886.46072
+CH$SMILES: CC(C)[C@@H](C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)[C@@H](CC1=CC=C(C=C1)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)O)NC(=O)[C@H]([C@H](CCCCCCCCl)N)O
+CH$IUPAC: InChI=1S/C45H67ClN6O10/c1-27(2)37(49-41(57)39(55)33(47)13-10-8-7-9-11-23-46)43(59)51(6)38(28(3)4)44(60)50(5)36(26-30-17-21-32(54)22-18-30)42(58)52-24-12-14-35(52)40(56)48-34(45(61)62)25-29-15-19-31(53)20-16-29/h15-22,27-28,33-39,53-55H,7-14,23-26,47H2,1-6H3,(H,48,56)(H,49,57)(H,61,62)/t33-,34-,35-,36-,37-,38-,39-/m0/s1
+CH$LINK: PUBCHEM CID:10056525
+CH$LINK: INCHIKEY GTUNZCVHPMEXMH-ZTYVOHGWSA-N
+CH$LINK: CHEMSPIDER 8232083
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-926
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.763 min
+MS$FOCUSED_ION: BASE_PEAK 132.9583
+MS$FOCUSED_ION: PRECURSOR_M/Z 887.468
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0f80-5912200000-53ee2504822ca5bfd95d
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  72.0809 C4H10N+ 1 72.0808 1.86
+  86.0965 C5H12N+ 1 86.0964 0.72
+  131.118 C6H15N2O+ 2 131.1179 0.7
+  132.1019 C6H14NO2+ 2 132.1019 0.26
+  150.0914 C9H12NO+ 2 150.0913 0.19
+  162.1045 C8H17ClN+ 2 162.1044 0.45
+  174.1047 C9H17ClN+ 2 174.1044 1.53
+  178.0862 C10H12NO2+ 3 178.0863 -0.36
+  192.1149 C9H19ClNO+ 2 192.115 -0.37
+  195.1127 C10H15N2O2+ 3 195.1128 -0.3
+  196.1334 C11H18NO2+ 2 196.1332 0.84
+  202.0993 C10H17ClNO+ 2 202.0993 -0.26
+  206.081 C11H12NO3+ 3 206.0812 -0.78
+  260.1269 C15H18NO3+ 4 260.1281 -4.53
+  279.1331 C9H20ClN6O2+ 4 279.1331 0.23
+  301.1671 C18H23NO3+ 5 301.1672 -0.36
+  319.1776 C18H25NO4+ 6 319.1778 -0.69
+  369.1936 C22H27NO4+ 6 369.1935 0.51
+  414.2534 C21H37ClN3O3+ 8 414.2518 3.82
+  432.2625 C21H39ClN3O4+ 7 432.2624 0.37
+  456.2132 C21H33ClN4O5+ 6 456.2134 -0.33
+PK$NUM_PEAK: 21
+PK$PEAK: m/z int. rel.int.
+  72.0809 76943.3 28
+  86.0965 2710771 999
+  131.118 75905.7 27
+  132.1019 1099386.9 405
+  150.0914 1926344.8 709
+  162.1045 960749.6 354
+  174.1047 39763.8 14
+  178.0862 154815.1 57
+  192.1149 73246.3 26
+  195.1127 365982.2 134
+  196.1334 100523.7 37
+  202.0993 66115.3 24
+  206.081 281171.3 103
+  260.1269 102127.7 37
+  279.1331 149049.5 54
+  301.1671 644451 237
+  319.1776 154506.1 56
+  369.1936 579153.2 213
+  414.2534 121827.8 44
+  432.2625 1155665.8 425
+  456.2132 176037.5 64
+//
diff --git a/Eawag/MSBNK-EAWAG-EC224005.txt b/Eawag/MSBNK-EAWAG-EC224005.txt
new file mode 100644
index 0000000000..c2d37e7299
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC224005.txt
@@ -0,0 +1,81 @@
+ACCESSION: MSBNK-EAWAG-EC224005
+RECORD_TITLE: Microginin 299A; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.21577/0100-4042.20170640
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2240
+CH$NAME: Microginin 299A
+CH$NAME: (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-3-amino-10-chloro-2-hydroxydecanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C45H67ClN6O10
+CH$EXACT_MASS: 886.46072
+CH$SMILES: CC(C)[C@@H](C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)[C@@H](CC1=CC=C(C=C1)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)O)NC(=O)[C@H]([C@H](CCCCCCCCl)N)O
+CH$IUPAC: InChI=1S/C45H67ClN6O10/c1-27(2)37(49-41(57)39(55)33(47)13-10-8-7-9-11-23-46)43(59)51(6)38(28(3)4)44(60)50(5)36(26-30-17-21-32(54)22-18-30)42(58)52-24-12-14-35(52)40(56)48-34(45(61)62)25-29-15-19-31(53)20-16-29/h15-22,27-28,33-39,53-55H,7-14,23-26,47H2,1-6H3,(H,48,56)(H,49,57)(H,61,62)/t33-,34-,35-,36-,37-,38-,39-/m0/s1
+CH$LINK: PUBCHEM CID:10056525
+CH$LINK: INCHIKEY GTUNZCVHPMEXMH-ZTYVOHGWSA-N
+CH$LINK: CHEMSPIDER 8232083
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-926
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.763 min
+MS$FOCUSED_ION: BASE_PEAK 132.9583
+MS$FOCUSED_ION: PRECURSOR_M/Z 887.468
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0gw0-6900000000-4c395c07755a728f2438
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  55.0542 C4H7+ 1 55.0542 0.12
+  70.0652 C4H8N+ 1 70.0651 1.66
+  72.0808 C4H10N+ 1 72.0808 0.91
+  86.0965 C5H12N+ 1 86.0964 0.9
+  114.0915 C6H12NO+ 2 114.0913 1.42
+  130.0863 C6H12NO2+ 2 130.0863 0.53
+  132.102 C6H14NO2+ 2 132.1019 0.61
+  150.0914 C9H12NO+ 2 150.0913 0.29
+  162.1044 C8H17ClN+ 2 162.1044 0.26
+  174.1047 C9H17ClN+ 2 174.1044 1.53
+  178.0863 C10H12NO2+ 3 178.0863 0.07
+  192.1147 C9H19ClNO+ 2 192.115 -1.16
+  195.1126 C10H15N2O2+ 3 195.1128 -1
+  196.1331 C11H18NO2+ 3 196.1332 -0.56
+  202.0992 C10H17ClNO+ 2 202.0993 -0.34
+  206.0809 C11H12NO3+ 3 206.0812 -1.45
+  260.1279 C15H18NO3+ 5 260.1281 -0.78
+  291.1831 C17H25NO3+ 4 291.1829 0.55
+  301.1673 C18H23NO3+ 5 301.1672 0.15
+PK$NUM_PEAK: 19
+PK$PEAK: m/z int. rel.int.
+  55.0542 64722.4 14
+  70.0652 54143.3 12
+  72.0808 393696.2 88
+  86.0965 4439336.5 999
+  114.0915 101377.1 22
+  130.0863 96462.7 21
+  132.102 542099.6 121
+  150.0914 2383090.5 536
+  162.1044 2420166 544
+  174.1047 103835.6 23
+  178.0863 295155.5 66
+  192.1147 116603.4 26
+  195.1126 299141.2 67
+  196.1331 161064.2 36
+  202.0992 121642.1 27
+  206.0809 65835.2 14
+  260.1279 230473 51
+  291.1831 109423.1 24
+  301.1673 259791.8 58
+//
diff --git a/Eawag/MSBNK-EAWAG-EC224006.txt b/Eawag/MSBNK-EAWAG-EC224006.txt
new file mode 100644
index 0000000000..b218629459
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC224006.txt
@@ -0,0 +1,83 @@
+ACCESSION: MSBNK-EAWAG-EC224006
+RECORD_TITLE: Microginin 299A; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.21577/0100-4042.20170640
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2240
+CH$NAME: Microginin 299A
+CH$NAME: (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-3-amino-10-chloro-2-hydroxydecanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C45H67ClN6O10
+CH$EXACT_MASS: 886.46072
+CH$SMILES: CC(C)[C@@H](C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)[C@@H](CC1=CC=C(C=C1)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)O)NC(=O)[C@H]([C@H](CCCCCCCCl)N)O
+CH$IUPAC: InChI=1S/C45H67ClN6O10/c1-27(2)37(49-41(57)39(55)33(47)13-10-8-7-9-11-23-46)43(59)51(6)38(28(3)4)44(60)50(5)36(26-30-17-21-32(54)22-18-30)42(58)52-24-12-14-35(52)40(56)48-34(45(61)62)25-29-15-19-31(53)20-16-29/h15-22,27-28,33-39,53-55H,7-14,23-26,47H2,1-6H3,(H,48,56)(H,49,57)(H,61,62)/t33-,34-,35-,36-,37-,38-,39-/m0/s1
+CH$LINK: PUBCHEM CID:10056525
+CH$LINK: INCHIKEY GTUNZCVHPMEXMH-ZTYVOHGWSA-N
+CH$LINK: CHEMSPIDER 8232083
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-926
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.763 min
+MS$FOCUSED_ION: BASE_PEAK 132.9583
+MS$FOCUSED_ION: PRECURSOR_M/Z 887.468
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0gw0-6900000000-2d81ab7b74efe5f156eb
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  55.0543 C4H7+ 1 55.0542 1.36
+  70.0653 C4H8N+ 1 70.0651 2.2
+  71.0732 C4H9N+ 1 71.073 3.33
+  72.0809 C4H10N+ 1 72.0808 1.55
+  86.0965 C5H12N+ 1 86.0964 1.17
+  109.1014 C8H13+ 1 109.1012 1.65
+  114.0913 C6H12NO+ 2 114.0913 -0.72
+  121.065 C8H9O+ 2 121.0648 1.43
+  126.1278 C8H16N+ 1 126.1277 0.84
+  130.0863 C6H12NO2+ 2 130.0863 0.29
+  132.102 C6H14NO2+ 2 132.1019 0.38
+  150.0914 C9H12NO+ 2 150.0913 0.49
+  162.1045 C8H17ClN+ 2 162.1044 0.35
+  174.1051 C9H17ClN+ 2 174.1044 3.99
+  178.0863 C10H12NO2+ 3 178.0863 0.15
+  192.1145 C9H19ClNO+ 3 192.115 -2.19
+  195.1124 C10H15N2O2+ 3 195.1128 -1.86
+  196.1331 C11H18NO2+ 3 196.1332 -0.33
+  202.0994 C10H17ClNO+ 2 202.0993 0.57
+  260.1279 C15H18NO3+ 5 260.1281 -0.9
+PK$NUM_PEAK: 20
+PK$PEAK: m/z int. rel.int.
+  55.0543 111886.8 23
+  70.0653 114087.1 23
+  71.0732 49947 10
+  72.0809 508267 105
+  86.0965 4799377 999
+  109.1014 65975.5 13
+  114.0913 109525.9 22
+  121.065 123002.5 25
+  126.1278 57963.6 12
+  130.0863 167308.7 34
+  132.102 272609.5 56
+  150.0914 2558007.2 532
+  162.1045 3311639.2 689
+  174.1051 96957 20
+  178.0863 194616 40
+  192.1145 67463.6 14
+  195.1124 90737.8 18
+  196.1331 115809.7 24
+  202.0994 142697.7 29
+  260.1279 204333.5 42
+//
diff --git a/Eawag/MSBNK-EAWAG-EC224007.txt b/Eawag/MSBNK-EAWAG-EC224007.txt
new file mode 100644
index 0000000000..e798eda8fe
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC224007.txt
@@ -0,0 +1,77 @@
+ACCESSION: MSBNK-EAWAG-EC224007
+RECORD_TITLE: Microginin 299A; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.21577/0100-4042.20170640
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2240
+CH$NAME: Microginin 299A
+CH$NAME: (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-3-amino-10-chloro-2-hydroxydecanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C45H67ClN6O10
+CH$EXACT_MASS: 886.46072
+CH$SMILES: CC(C)[C@@H](C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)[C@@H](CC1=CC=C(C=C1)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)O)NC(=O)[C@H]([C@H](CCCCCCCCl)N)O
+CH$IUPAC: InChI=1S/C45H67ClN6O10/c1-27(2)37(49-41(57)39(55)33(47)13-10-8-7-9-11-23-46)43(59)51(6)38(28(3)4)44(60)50(5)36(26-30-17-21-32(54)22-18-30)42(58)52-24-12-14-35(52)40(56)48-34(45(61)62)25-29-15-19-31(53)20-16-29/h15-22,27-28,33-39,53-55H,7-14,23-26,47H2,1-6H3,(H,48,56)(H,49,57)(H,61,62)/t33-,34-,35-,36-,37-,38-,39-/m0/s1
+CH$LINK: PUBCHEM CID:10056525
+CH$LINK: INCHIKEY GTUNZCVHPMEXMH-ZTYVOHGWSA-N
+CH$LINK: CHEMSPIDER 8232083
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-926
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.763 min
+MS$FOCUSED_ION: BASE_PEAK 132.9583
+MS$FOCUSED_ION: PRECURSOR_M/Z 887.468
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-01p9-8900000000-e72e79e0a744a704d6cf
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  55.0543 C4H7+ 1 55.0542 0.88
+  67.0543 C5H7+ 1 67.0542 1.63
+  70.0651 C4H8N+ 1 70.0651 0.24
+  71.0732 C4H9N+ 1 71.073 3.65
+  72.0808 C4H10N+ 1 72.0808 0.7
+  86.0965 C5H12N+ 1 86.0964 0.46
+  109.1012 C8H13+ 1 109.1012 0.67
+  114.0914 C6H12NO+ 2 114.0913 0.35
+  119.0492 C8H7O+ 2 119.0491 0.69
+  121.0649 C8H9O+ 2 121.0648 1.18
+  126.1276 C8H16N+ 1 126.1277 -0.91
+  130.0863 C6H12NO2+ 2 130.0863 0.17
+  132.1018 C6H14NO2+ 2 132.1019 -1.01
+  150.0913 C9H12NO+ 2 150.0913 -0.12
+  162.1044 C8H17ClN+ 2 162.1044 -0.21
+  178.0859 C10H12NO2+ 3 178.0863 -1.73
+  260.1277 C15H18NO3+ 5 260.1281 -1.6
+PK$NUM_PEAK: 17
+PK$PEAK: m/z int. rel.int.
+  55.0543 244551.1 52
+  67.0543 116955.9 25
+  70.0651 124492.6 26
+  71.0732 66425.4 14
+  72.0808 622048.3 134
+  86.0965 4634515.5 999
+  109.1012 166383 35
+  114.0914 125113.3 26
+  119.0492 51396 11
+  121.0649 192818.6 41
+  126.1276 135643.1 29
+  130.0863 189325.6 40
+  132.1018 129209.3 27
+  150.0913 2121883 457
+  162.1044 2935041.8 632
+  178.0859 60616.8 13
+  260.1277 74010.8 15
+//
diff --git a/Eawag/MSBNK-EAWAG-EC224008.txt b/Eawag/MSBNK-EAWAG-EC224008.txt
new file mode 100644
index 0000000000..505c98f071
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC224008.txt
@@ -0,0 +1,85 @@
+ACCESSION: MSBNK-EAWAG-EC224008
+RECORD_TITLE: Microginin 299A; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.21577/0100-4042.20170640
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2240
+CH$NAME: Microginin 299A
+CH$NAME: (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-3-amino-10-chloro-2-hydroxydecanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C45H67ClN6O10
+CH$EXACT_MASS: 886.46072
+CH$SMILES: CC(C)[C@@H](C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)[C@@H](CC1=CC=C(C=C1)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)O)NC(=O)[C@H]([C@H](CCCCCCCCl)N)O
+CH$IUPAC: InChI=1S/C45H67ClN6O10/c1-27(2)37(49-41(57)39(55)33(47)13-10-8-7-9-11-23-46)43(59)51(6)38(28(3)4)44(60)50(5)36(26-30-17-21-32(54)22-18-30)42(58)52-24-12-14-35(52)40(56)48-34(45(61)62)25-29-15-19-31(53)20-16-29/h15-22,27-28,33-39,53-55H,7-14,23-26,47H2,1-6H3,(H,48,56)(H,49,57)(H,61,62)/t33-,34-,35-,36-,37-,38-,39-/m0/s1
+CH$LINK: PUBCHEM CID:10056525
+CH$LINK: INCHIKEY GTUNZCVHPMEXMH-ZTYVOHGWSA-N
+CH$LINK: CHEMSPIDER 8232083
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-926
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.763 min
+MS$FOCUSED_ION: BASE_PEAK 132.9583
+MS$FOCUSED_ION: PRECURSOR_M/Z 887.468
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-000i-9600000000-6590908a8539459ebaaf
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  55.0543 C4H7+ 1 55.0542 0.53
+  56.0495 C3H6N+ 1 56.0495 -0.23
+  67.0543 C5H7+ 1 67.0542 1.17
+  69.07 C5H9+ 1 69.0699 1.33
+  70.0653 C4H8N+ 1 70.0651 1.88
+  71.073 C4H9N+ 1 71.073 0.86
+  72.0808 C4H10N+ 1 72.0808 0.81
+  81.0698 C6H9+ 1 81.0699 -0.49
+  84.0809 C5H10N+ 1 84.0808 1.95
+  86.0965 C5H12N+ 1 86.0964 0.46
+  91.0543 C7H7+ 1 91.0542 1.15
+  107.0491 C7H7O+ 1 107.0491 -0.61
+  109.1012 C8H13+ 1 109.1012 0.32
+  114.0913 C6H12NO+ 2 114.0913 -0.32
+  119.0492 C8H7O+ 2 119.0491 0.3
+  121.0648 C8H9O+ 2 121.0648 0.24
+  126.1279 C8H16N+ 1 126.1277 1.15
+  130.0862 C6H12NO2+ 2 130.0863 -0.06
+  135.0679 C8H9NO+ 2 135.0679 0.03
+  150.0913 C9H12NO+ 2 150.0913 -0.02
+  162.1044 C8H17ClN+ 2 162.1044 -0.12
+PK$NUM_PEAK: 21
+PK$PEAK: m/z int. rel.int.
+  55.0543 483331.2 116
+  56.0495 63519.6 15
+  67.0543 289660.8 70
+  69.07 62657 15
+  70.0653 127022.5 30
+  71.073 134266.2 32
+  72.0808 665842 161
+  81.0698 55705.9 13
+  84.0809 51904 12
+  86.0965 4128424.5 999
+  91.0543 97481.5 23
+  107.0491 71278.6 17
+  109.1012 234279.6 56
+  114.0913 119659.8 28
+  119.0492 91457.3 22
+  121.0648 216782.8 52
+  126.1279 172589.3 41
+  130.0862 156682.3 37
+  135.0679 98149.7 23
+  150.0913 1528782.2 369
+  162.1044 1808697 437
+//
diff --git a/Eawag/MSBNK-EAWAG-EC224009.txt b/Eawag/MSBNK-EAWAG-EC224009.txt
new file mode 100644
index 0000000000..6e85f2509d
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC224009.txt
@@ -0,0 +1,83 @@
+ACCESSION: MSBNK-EAWAG-EC224009
+RECORD_TITLE: Microginin 299A; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.21577/0100-4042.20170640
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2240
+CH$NAME: Microginin 299A
+CH$NAME: (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-3-amino-10-chloro-2-hydroxydecanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C45H67ClN6O10
+CH$EXACT_MASS: 886.46072
+CH$SMILES: CC(C)[C@@H](C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)[C@@H](CC1=CC=C(C=C1)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)O)NC(=O)[C@H]([C@H](CCCCCCCCl)N)O
+CH$IUPAC: InChI=1S/C45H67ClN6O10/c1-27(2)37(49-41(57)39(55)33(47)13-10-8-7-9-11-23-46)43(59)51(6)38(28(3)4)44(60)50(5)36(26-30-17-21-32(54)22-18-30)42(58)52-24-12-14-35(52)40(56)48-34(45(61)62)25-29-15-19-31(53)20-16-29/h15-22,27-28,33-39,53-55H,7-14,23-26,47H2,1-6H3,(H,48,56)(H,49,57)(H,61,62)/t33-,34-,35-,36-,37-,38-,39-/m0/s1
+CH$LINK: PUBCHEM CID:10056525
+CH$LINK: INCHIKEY GTUNZCVHPMEXMH-ZTYVOHGWSA-N
+CH$LINK: CHEMSPIDER 8232083
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-926
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.763 min
+MS$FOCUSED_ION: BASE_PEAK 132.9583
+MS$FOCUSED_ION: PRECURSOR_M/Z 887.468
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-000i-9400000000-ac2ee07fe43ec1c5f40f
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  55.0543 C4H7+ 1 55.0542 0.53
+  56.0495 C3H6N+ 1 56.0495 0.24
+  67.0543 C5H7+ 1 67.0542 0.72
+  69.0698 C5H9+ 1 69.0699 -0.43
+  70.0652 C4H8N+ 1 70.0651 0.46
+  71.073 C4H9N+ 1 71.073 1.07
+  72.0808 C4H10N+ 1 72.0808 0.49
+  81.0699 C6H9+ 1 81.0699 -0.3
+  84.0808 C5H10N+ 1 84.0808 0.68
+  86.0964 C5H12N+ 1 86.0964 0.28
+  91.0544 C7H7+ 1 91.0542 1.56
+  107.0492 C7H7O+ 2 107.0491 0.1
+  109.1012 C8H13+ 1 109.1012 -0.1
+  119.0492 C8H7O+ 2 119.0491 0.69
+  121.0648 C8H9O+ 2 121.0648 -0.2
+  126.1278 C8H16N+ 1 126.1277 0.6
+  130.0864 C6H12NO2+ 2 130.0863 0.99
+  135.0677 C8H9NO+ 2 135.0679 -0.88
+  150.0913 C9H12NO+ 2 150.0913 -0.22
+  162.1044 C8H17ClN+ 2 162.1044 -0.21
+PK$NUM_PEAK: 20
+PK$PEAK: m/z int. rel.int.
+  55.0543 593986.9 181
+  56.0495 90440.4 27
+  67.0543 397433.1 121
+  69.0698 56879.8 17
+  70.0652 126177.2 38
+  71.073 190432 58
+  72.0808 668590 204
+  81.0699 105707 32
+  84.0808 41879.6 12
+  86.0964 3262857.2 999
+  91.0544 168037.1 51
+  107.0492 140480.5 43
+  109.1012 219779.7 67
+  119.0492 119364.4 36
+  121.0648 194334.8 59
+  126.1278 133770.6 40
+  130.0864 73060.5 22
+  135.0677 142729.6 43
+  150.0913 857604.8 262
+  162.1044 719277.4 220
+//
diff --git a/Eawag/MSBNK-EAWAG-EC224051.txt b/Eawag/MSBNK-EAWAG-EC224051.txt
new file mode 100644
index 0000000000..faf60aaa0e
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC224051.txt
@@ -0,0 +1,47 @@
+ACCESSION: MSBNK-EAWAG-EC224051
+RECORD_TITLE: Microginin 299A; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.21577/0100-4042.20170640
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2240
+CH$NAME: Microginin 299A
+CH$NAME: (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-3-amino-10-chloro-2-hydroxydecanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C45H67ClN6O10
+CH$EXACT_MASS: 886.46072
+CH$SMILES: CC(C)[C@@H](C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)[C@@H](CC1=CC=C(C=C1)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)O)NC(=O)[C@H]([C@H](CCCCCCCCl)N)O
+CH$IUPAC: InChI=1S/C45H67ClN6O10/c1-27(2)37(49-41(57)39(55)33(47)13-10-8-7-9-11-23-46)43(59)51(6)38(28(3)4)44(60)50(5)36(26-30-17-21-32(54)22-18-30)42(58)52-24-12-14-35(52)40(56)48-34(45(61)62)25-29-15-19-31(53)20-16-29/h15-22,27-28,33-39,53-55H,7-14,23-26,47H2,1-6H3,(H,48,56)(H,49,57)(H,61,62)/t33-,34-,35-,36-,37-,38-,39-/m0/s1
+CH$LINK: PUBCHEM CID:10056525
+CH$LINK: INCHIKEY GTUNZCVHPMEXMH-ZTYVOHGWSA-N
+CH$LINK: CHEMSPIDER 8232083
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-924
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.776 min
+MS$FOCUSED_ION: BASE_PEAK 885.4538
+MS$FOCUSED_ION: PRECURSOR_M/Z 885.4534
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-000i-0000000090-304f0518a0e17fc7a25d
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  849.4754 C45H65N6O10- 1 849.4768 -1.66
+  885.453 C45H66ClN6O10- 1 885.4534 -0.47
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  849.4754 94963.3 27
+  885.453 3493899.5 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC224052.txt b/Eawag/MSBNK-EAWAG-EC224052.txt
new file mode 100644
index 0000000000..d96cb29b5b
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC224052.txt
@@ -0,0 +1,47 @@
+ACCESSION: MSBNK-EAWAG-EC224052
+RECORD_TITLE: Microginin 299A; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.21577/0100-4042.20170640
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2240
+CH$NAME: Microginin 299A
+CH$NAME: (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-3-amino-10-chloro-2-hydroxydecanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C45H67ClN6O10
+CH$EXACT_MASS: 886.46072
+CH$SMILES: CC(C)[C@@H](C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)[C@@H](CC1=CC=C(C=C1)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)O)NC(=O)[C@H]([C@H](CCCCCCCCl)N)O
+CH$IUPAC: InChI=1S/C45H67ClN6O10/c1-27(2)37(49-41(57)39(55)33(47)13-10-8-7-9-11-23-46)43(59)51(6)38(28(3)4)44(60)50(5)36(26-30-17-21-32(54)22-18-30)42(58)52-24-12-14-35(52)40(56)48-34(45(61)62)25-29-15-19-31(53)20-16-29/h15-22,27-28,33-39,53-55H,7-14,23-26,47H2,1-6H3,(H,48,56)(H,49,57)(H,61,62)/t33-,34-,35-,36-,37-,38-,39-/m0/s1
+CH$LINK: PUBCHEM CID:10056525
+CH$LINK: INCHIKEY GTUNZCVHPMEXMH-ZTYVOHGWSA-N
+CH$LINK: CHEMSPIDER 8232083
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-924
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.776 min
+MS$FOCUSED_ION: BASE_PEAK 885.4538
+MS$FOCUSED_ION: PRECURSOR_M/Z 885.4534
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-000i-0000000090-756f60432ed8da97f7a2
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  849.4765 C45H65N6O10- 1 849.4768 -0.37
+  885.4531 C45H66ClN6O10- 1 885.4534 -0.33
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  849.4765 304227.4 120
+  885.4531 2524086 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC224053.txt b/Eawag/MSBNK-EAWAG-EC224053.txt
new file mode 100644
index 0000000000..0c9e03ed33
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC224053.txt
@@ -0,0 +1,53 @@
+ACCESSION: MSBNK-EAWAG-EC224053
+RECORD_TITLE: Microginin 299A; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.21577/0100-4042.20170640
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2240
+CH$NAME: Microginin 299A
+CH$NAME: (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-3-amino-10-chloro-2-hydroxydecanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C45H67ClN6O10
+CH$EXACT_MASS: 886.46072
+CH$SMILES: CC(C)[C@@H](C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)[C@@H](CC1=CC=C(C=C1)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)O)NC(=O)[C@H]([C@H](CCCCCCCCl)N)O
+CH$IUPAC: InChI=1S/C45H67ClN6O10/c1-27(2)37(49-41(57)39(55)33(47)13-10-8-7-9-11-23-46)43(59)51(6)38(28(3)4)44(60)50(5)36(26-30-17-21-32(54)22-18-30)42(58)52-24-12-14-35(52)40(56)48-34(45(61)62)25-29-15-19-31(53)20-16-29/h15-22,27-28,33-39,53-55H,7-14,23-26,47H2,1-6H3,(H,48,56)(H,49,57)(H,61,62)/t33-,34-,35-,36-,37-,38-,39-/m0/s1
+CH$LINK: PUBCHEM CID:10056525
+CH$LINK: INCHIKEY GTUNZCVHPMEXMH-ZTYVOHGWSA-N
+CH$LINK: CHEMSPIDER 8232083
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-924
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.776 min
+MS$FOCUSED_ION: BASE_PEAK 885.4538
+MS$FOCUSED_ION: PRECURSOR_M/Z 885.4534
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-000i-0010000090-f09f57ac6c798e2cefa1
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  277.1188 C9H18ClN6O2- 4 277.1185 0.9
+  423.1544 C17H28ClN2O8- 6 423.154 1.08
+  743.4347 C38H59N6O9- 4 743.4349 -0.21
+  849.4765 C45H65N6O10- 1 849.4768 -0.37
+  885.4536 C45H66ClN6O10- 1 885.4534 0.22
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  277.1188 352731.7 265
+  423.1544 124402 93
+  743.4347 191104 143
+  849.4765 474184.2 357
+  885.4536 1326081.9 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC224054.txt b/Eawag/MSBNK-EAWAG-EC224054.txt
new file mode 100644
index 0000000000..5f9249d2da
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC224054.txt
@@ -0,0 +1,61 @@
+ACCESSION: MSBNK-EAWAG-EC224054
+RECORD_TITLE: Microginin 299A; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.21577/0100-4042.20170640
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2240
+CH$NAME: Microginin 299A
+CH$NAME: (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-3-amino-10-chloro-2-hydroxydecanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C45H67ClN6O10
+CH$EXACT_MASS: 886.46072
+CH$SMILES: CC(C)[C@@H](C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)[C@@H](CC1=CC=C(C=C1)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)O)NC(=O)[C@H]([C@H](CCCCCCCCl)N)O
+CH$IUPAC: InChI=1S/C45H67ClN6O10/c1-27(2)37(49-41(57)39(55)33(47)13-10-8-7-9-11-23-46)43(59)51(6)38(28(3)4)44(60)50(5)36(26-30-17-21-32(54)22-18-30)42(58)52-24-12-14-35(52)40(56)48-34(45(61)62)25-29-15-19-31(53)20-16-29/h15-22,27-28,33-39,53-55H,7-14,23-26,47H2,1-6H3,(H,48,56)(H,49,57)(H,61,62)/t33-,34-,35-,36-,37-,38-,39-/m0/s1
+CH$LINK: PUBCHEM CID:10056525
+CH$LINK: INCHIKEY GTUNZCVHPMEXMH-ZTYVOHGWSA-N
+CH$LINK: CHEMSPIDER 8232083
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-924
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.776 min
+MS$FOCUSED_ION: BASE_PEAK 885.4538
+MS$FOCUSED_ION: PRECURSOR_M/Z 885.4534
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-004i-0190200140-3faa83584f84b9159592
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  119.0501 C8H7O- 1 119.0502 -1.36
+  145.0292 C9H5O2- 2 145.0295 -2.38
+  277.1186 C9H18ClN6O2- 4 277.1185 0.35
+  379.1651 C20H21N5O3- 6 379.165 0.25
+  423.1557 C17H28ClN2O8- 6 423.154 4.18
+  454.1978 C20H35ClO9- 7 454.1975 0.56
+  743.4351 C38H59N6O9- 4 743.4349 0.29
+  849.4757 C45H65N6O10- 1 849.4768 -1.23
+  885.4528 C45H66ClN6O10- 1 885.4534 -0.75
+PK$NUM_PEAK: 9
+PK$PEAK: m/z int. rel.int.
+  119.0501 96419.7 90
+  145.0292 105436.5 98
+  277.1186 1068538 999
+  379.1651 112790.8 105
+  423.1557 228455.7 213
+  454.1978 80661.9 75
+  743.4351 188437.3 176
+  849.4757 227473.9 212
+  885.4528 299008.2 279
+//
diff --git a/Eawag/MSBNK-EAWAG-EC224055.txt b/Eawag/MSBNK-EAWAG-EC224055.txt
new file mode 100644
index 0000000000..47fd814a5e
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC224055.txt
@@ -0,0 +1,77 @@
+ACCESSION: MSBNK-EAWAG-EC224055
+RECORD_TITLE: Microginin 299A; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.21577/0100-4042.20170640
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2240
+CH$NAME: Microginin 299A
+CH$NAME: (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-3-amino-10-chloro-2-hydroxydecanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C45H67ClN6O10
+CH$EXACT_MASS: 886.46072
+CH$SMILES: CC(C)[C@@H](C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)[C@@H](CC1=CC=C(C=C1)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)O)NC(=O)[C@H]([C@H](CCCCCCCCl)N)O
+CH$IUPAC: InChI=1S/C45H67ClN6O10/c1-27(2)37(49-41(57)39(55)33(47)13-10-8-7-9-11-23-46)43(59)51(6)38(28(3)4)44(60)50(5)36(26-30-17-21-32(54)22-18-30)42(58)52-24-12-14-35(52)40(56)48-34(45(61)62)25-29-15-19-31(53)20-16-29/h15-22,27-28,33-39,53-55H,7-14,23-26,47H2,1-6H3,(H,48,56)(H,49,57)(H,61,62)/t33-,34-,35-,36-,37-,38-,39-/m0/s1
+CH$LINK: PUBCHEM CID:10056525
+CH$LINK: INCHIKEY GTUNZCVHPMEXMH-ZTYVOHGWSA-N
+CH$LINK: CHEMSPIDER 8232083
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-924
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.776 min
+MS$FOCUSED_ION: BASE_PEAK 885.4538
+MS$FOCUSED_ION: PRECURSOR_M/Z 885.4534
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-004i-0790000000-c19c5175e907d5c3465f
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  113.072 C5H9N2O- 2 113.072 -0.25
+  119.0501 C8H7O- 1 119.0502 -1.04
+  126.0561 C6H8NO2- 2 126.0561 0.73
+  129.103 C6H13N2O- 1 129.1033 -2.99
+  139.0513 C6H7N2O2- 2 139.0513 -0.14
+  143.1189 C7H15N2O- 2 143.119 -0.29
+  145.0292 C9H5O2- 2 145.0295 -1.86
+  153.0665 C7H9N2O2- 2 153.067 -2.71
+  163.0394 C4H8ClN4O- 3 163.0392 1.07
+  171.0768 C2H12ClN6O- 3 171.0767 1.01
+  180.066 C4H11ClN5O- 3 180.0658 1.31
+  211.1443 C6H20ClN6- 3 211.1443 -0.04
+  233.129 C8H18ClN6- 4 233.1287 1.34
+  242.1871 C12H24N3O2- 4 242.1874 -1.04
+  277.1187 C9H18ClN6O2- 4 277.1185 0.46
+  379.1651 C20H21N5O3- 6 379.165 0.25
+  637.3929 C42H54ClN2O- 11 637.393 -0.17
+PK$NUM_PEAK: 17
+PK$PEAK: m/z int. rel.int.
+  113.072 184611.3 112
+  119.0501 519343.9 317
+  126.0561 79118.1 48
+  129.103 44866.8 27
+  139.0513 38168.3 23
+  143.1189 109422.2 66
+  145.0292 289542.5 176
+  153.0665 33043.8 20
+  163.0394 89858.8 54
+  171.0768 190101.9 116
+  180.066 105920.2 64
+  211.1443 107137.7 65
+  233.129 251161.8 153
+  242.1871 144262.5 88
+  277.1187 1635698.8 999
+  379.1651 68810.1 42
+  637.3929 32454.5 19
+//
diff --git a/Eawag/MSBNK-EAWAG-EC224056.txt b/Eawag/MSBNK-EAWAG-EC224056.txt
new file mode 100644
index 0000000000..5d1caed9a1
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC224056.txt
@@ -0,0 +1,85 @@
+ACCESSION: MSBNK-EAWAG-EC224056
+RECORD_TITLE: Microginin 299A; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.21577/0100-4042.20170640
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2240
+CH$NAME: Microginin 299A
+CH$NAME: (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-3-amino-10-chloro-2-hydroxydecanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C45H67ClN6O10
+CH$EXACT_MASS: 886.46072
+CH$SMILES: CC(C)[C@@H](C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)[C@@H](CC1=CC=C(C=C1)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)O)NC(=O)[C@H]([C@H](CCCCCCCCl)N)O
+CH$IUPAC: InChI=1S/C45H67ClN6O10/c1-27(2)37(49-41(57)39(55)33(47)13-10-8-7-9-11-23-46)43(59)51(6)38(28(3)4)44(60)50(5)36(26-30-17-21-32(54)22-18-30)42(58)52-24-12-14-35(52)40(56)48-34(45(61)62)25-29-15-19-31(53)20-16-29/h15-22,27-28,33-39,53-55H,7-14,23-26,47H2,1-6H3,(H,48,56)(H,49,57)(H,61,62)/t33-,34-,35-,36-,37-,38-,39-/m0/s1
+CH$LINK: PUBCHEM CID:10056525
+CH$LINK: INCHIKEY GTUNZCVHPMEXMH-ZTYVOHGWSA-N
+CH$LINK: CHEMSPIDER 8232083
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-924
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.776 min
+MS$FOCUSED_ION: BASE_PEAK 885.4538
+MS$FOCUSED_ION: PRECURSOR_M/Z 885.4534
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-02e9-0940000000-5f74686ad90f14235fc9
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  66.0349 C4H4N- 1 66.0349 -0.13
+  93.0345 C6H5O- 1 93.0346 -0.98
+  107.0504 C7H7O- 2 107.0502 1.51
+  113.0719 C5H9N2O- 1 113.072 -1.26
+  119.0501 C8H7O- 1 119.0502 -1.43
+  126.0559 C6H8NO2- 1 126.0561 -1.15
+  127.0878 C6H11N2O- 2 127.0877 0.58
+  129.1032 C6H13N2O- 2 129.1033 -0.86
+  139.0874 C7H11N2O- 1 139.0877 -2.17
+  143.1187 C7H15N2O- 1 143.119 -2.11
+  145.0293 C9H5O2- 2 145.0295 -1.65
+  153.0666 C7H9N2O2- 2 153.067 -2.31
+  163.0396 C4H8ClN4O- 2 163.0392 2.66
+  171.0769 C2H12ClN6O- 3 171.0767 1.36
+  180.0656 C4H11ClN5O- 2 180.0658 -0.81
+  211.1444 C6H20ClN6- 3 211.1443 0.47
+  233.1287 C8H18ClN6- 3 233.1287 0.17
+  242.0819 C14H12NO3- 5 242.0823 -1.48
+  242.1866 C8H31ClO5- 3 242.1866 0.01
+  277.1185 C9H18ClN6O2- 5 277.1185 0.02
+  304.1664 C16H22N3O3- 4 304.1667 -0.72
+PK$NUM_PEAK: 21
+PK$PEAK: m/z int. rel.int.
+  66.0349 17869.3 24
+  93.0345 35091.5 47
+  107.0504 28947.7 39
+  113.0719 575279.2 778
+  119.0501 738284.2 999
+  126.0559 53356.6 72
+  127.0878 36658.1 49
+  129.1032 145581.7 196
+  139.0874 22107.5 29
+  143.1187 171311.9 231
+  145.0293 294427.5 398
+  153.0666 72112.5 97
+  163.0396 115208 155
+  171.0769 315327.7 426
+  180.0656 130347.5 176
+  211.1444 124291 168
+  233.1287 569427.4 770
+  242.0819 24496.6 33
+  242.1866 90315.6 122
+  277.1185 658616.8 891
+  304.1664 60168.5 81
+//
diff --git a/Eawag/MSBNK-EAWAG-EC224057.txt b/Eawag/MSBNK-EAWAG-EC224057.txt
new file mode 100644
index 0000000000..e5e63f7be4
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC224057.txt
@@ -0,0 +1,95 @@
+ACCESSION: MSBNK-EAWAG-EC224057
+RECORD_TITLE: Microginin 299A; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.21577/0100-4042.20170640
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2240
+CH$NAME: Microginin 299A
+CH$NAME: (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-3-amino-10-chloro-2-hydroxydecanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C45H67ClN6O10
+CH$EXACT_MASS: 886.46072
+CH$SMILES: CC(C)[C@@H](C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)[C@@H](CC1=CC=C(C=C1)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)O)NC(=O)[C@H]([C@H](CCCCCCCCl)N)O
+CH$IUPAC: InChI=1S/C45H67ClN6O10/c1-27(2)37(49-41(57)39(55)33(47)13-10-8-7-9-11-23-46)43(59)51(6)38(28(3)4)44(60)50(5)36(26-30-17-21-32(54)22-18-30)42(58)52-24-12-14-35(52)40(56)48-34(45(61)62)25-29-15-19-31(53)20-16-29/h15-22,27-28,33-39,53-55H,7-14,23-26,47H2,1-6H3,(H,48,56)(H,49,57)(H,61,62)/t33-,34-,35-,36-,37-,38-,39-/m0/s1
+CH$LINK: PUBCHEM CID:10056525
+CH$LINK: INCHIKEY GTUNZCVHPMEXMH-ZTYVOHGWSA-N
+CH$LINK: CHEMSPIDER 8232083
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-924
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.776 min
+MS$FOCUSED_ION: BASE_PEAK 885.4538
+MS$FOCUSED_ION: PRECURSOR_M/Z 885.4534
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03xr-0910000000-fe5d59d49316399bf326
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  58.0298 C2H4NO- 1 58.0298 0.06
+  66.035 C4H4N- 1 66.0349 1.14
+  85.0408 C3H5N2O- 2 85.0407 1
+  87.0565 C3H7N2O- 2 87.0564 1.67
+  93.0346 C6H5O- 1 93.0346 0.01
+  106.0428 C7H6O- 2 106.0424 3.23
+  107.0503 C7H7O- 2 107.0502 0.51
+  112.0766 C6H10NO- 1 112.0768 -1.24
+  113.0719 C5H9N2O- 1 113.072 -0.99
+  117.0347 C8H5O- 2 117.0346 1.19
+  119.0501 C8H7O- 1 119.0502 -1.23
+  125.0359 C5H5N2O2- 2 125.0357 2.25
+  127.0875 C6H11N2O- 1 127.0877 -1.4
+  129.1032 C6H13N2O- 2 129.1033 -0.86
+  134.0609 C8H8NO- 1 134.0611 -1.69
+  139.0875 C7H11N2O- 1 139.0877 -1.63
+  143.1189 C7H15N2O- 2 143.119 -0.93
+  145.0293 C9H5O2- 3 145.0295 -1.44
+  153.0665 C7H9N2O2- 2 153.067 -2.91
+  163.0392 C4H8ClN4O- 2 163.0392 0.13
+  168.09 C8H12N2O2- 2 168.0904 -2.82
+  171.077 C2H12ClN6O- 2 171.0767 2.26
+  180.0657 C4H11ClN5O- 2 180.0658 -0.47
+  211.1439 C6H20ClN6- 3 211.1443 -1.99
+  233.1288 C8H18ClN6- 3 233.1287 0.49
+  277.1187 C9H18ClN6O2- 4 277.1185 0.57
+PK$NUM_PEAK: 26
+PK$PEAK: m/z int. rel.int.
+  58.0298 33631.5 43
+  66.035 32222.3 41
+  85.0408 16084.5 20
+  87.0565 21421.2 27
+  93.0346 49422.4 63
+  106.0428 15172.8 19
+  107.0503 33221.5 42
+  112.0766 22885.8 29
+  113.0719 777602.2 999
+  117.0347 24977.3 32
+  119.0501 685374.2 880
+  125.0359 25371.7 32
+  127.0875 64541.7 82
+  129.1032 168426.7 216
+  134.0609 32245.8 41
+  139.0875 26234.4 33
+  143.1189 165676.4 212
+  145.0293 240294.6 308
+  153.0665 60055.5 77
+  163.0392 86945.1 111
+  168.09 69838.4 89
+  171.077 169087.9 217
+  180.0657 75003.2 96
+  211.1439 45312 58
+  233.1288 420613.1 540
+  277.1187 107889 138
+//
diff --git a/Eawag/MSBNK-EAWAG-EC224058.txt b/Eawag/MSBNK-EAWAG-EC224058.txt
new file mode 100644
index 0000000000..434c9fe70e
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC224058.txt
@@ -0,0 +1,79 @@
+ACCESSION: MSBNK-EAWAG-EC224058
+RECORD_TITLE: Microginin 299A; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.21577/0100-4042.20170640
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2240
+CH$NAME: Microginin 299A
+CH$NAME: (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-3-amino-10-chloro-2-hydroxydecanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C45H67ClN6O10
+CH$EXACT_MASS: 886.46072
+CH$SMILES: CC(C)[C@@H](C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)[C@@H](CC1=CC=C(C=C1)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)O)NC(=O)[C@H]([C@H](CCCCCCCCl)N)O
+CH$IUPAC: InChI=1S/C45H67ClN6O10/c1-27(2)37(49-41(57)39(55)33(47)13-10-8-7-9-11-23-46)43(59)51(6)38(28(3)4)44(60)50(5)36(26-30-17-21-32(54)22-18-30)42(58)52-24-12-14-35(52)40(56)48-34(45(61)62)25-29-15-19-31(53)20-16-29/h15-22,27-28,33-39,53-55H,7-14,23-26,47H2,1-6H3,(H,48,56)(H,49,57)(H,61,62)/t33-,34-,35-,36-,37-,38-,39-/m0/s1
+CH$LINK: PUBCHEM CID:10056525
+CH$LINK: INCHIKEY GTUNZCVHPMEXMH-ZTYVOHGWSA-N
+CH$LINK: CHEMSPIDER 8232083
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-924
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.776 min
+MS$FOCUSED_ION: BASE_PEAK 885.4538
+MS$FOCUSED_ION: PRECURSOR_M/Z 885.4534
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03xr-0900000000-1bcb680c77b75fe808c4
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  58.0298 C2H4NO- 1 58.0298 -0.34
+  66.035 C4H4N- 1 66.0349 1.72
+  85.0408 C3H5N2O- 2 85.0407 1
+  93.0346 C6H5O- 1 93.0346 -0.08
+  107.0503 C7H7O- 2 107.0502 0.86
+  113.0719 C5H9N2O- 1 113.072 -0.86
+  119.0501 C8H7O- 1 119.0502 -1.3
+  125.0356 C5H5N2O2- 2 125.0357 -0.74
+  127.0877 C6H11N2O- 2 127.0877 -0.2
+  129.103 C6H13N2O- 1 129.1033 -2.39
+  134.0609 C8H8NO- 1 134.0611 -1.57
+  139.0512 C6H7N2O2- 2 139.0513 -0.79
+  143.1186 C7H15N2O- 1 143.119 -2.53
+  145.0291 C9H5O2- 2 145.0295 -2.8
+  168.0901 C8H12N2O2- 3 168.0904 -1.82
+  171.0772 C7H11N2O3- 3 171.0775 -1.94
+  180.0662 C4H11ClN5O- 3 180.0658 2.58
+  233.1287 C8H18ClN6- 3 233.1287 0.17
+PK$NUM_PEAK: 18
+PK$PEAK: m/z int. rel.int.
+  58.0298 41792.1 55
+  66.035 50415.1 67
+  85.0408 31660.3 42
+  93.0346 47249 63
+  107.0503 32811.4 43
+  113.0719 746714.2 999
+  119.0501 612329.8 819
+  125.0356 38608.5 51
+  127.0877 68565.6 91
+  129.103 142354.6 190
+  134.0609 36032.8 48
+  139.0512 55586.2 74
+  143.1186 94829.3 126
+  145.0291 194157.3 259
+  168.0901 46779.4 62
+  171.0772 66217.3 88
+  180.0662 39547 52
+  233.1287 177122.2 236
+//
diff --git a/Eawag/MSBNK-EAWAG-EC224059.txt b/Eawag/MSBNK-EAWAG-EC224059.txt
new file mode 100644
index 0000000000..6a7df1d633
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC224059.txt
@@ -0,0 +1,71 @@
+ACCESSION: MSBNK-EAWAG-EC224059
+RECORD_TITLE: Microginin 299A; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.21577/0100-4042.20170640
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2240
+CH$NAME: Microginin 299A
+CH$NAME: (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-3-amino-10-chloro-2-hydroxydecanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C45H67ClN6O10
+CH$EXACT_MASS: 886.46072
+CH$SMILES: CC(C)[C@@H](C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)[C@@H](CC1=CC=C(C=C1)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)O)NC(=O)[C@H]([C@H](CCCCCCCCl)N)O
+CH$IUPAC: InChI=1S/C45H67ClN6O10/c1-27(2)37(49-41(57)39(55)33(47)13-10-8-7-9-11-23-46)43(59)51(6)38(28(3)4)44(60)50(5)36(26-30-17-21-32(54)22-18-30)42(58)52-24-12-14-35(52)40(56)48-34(45(61)62)25-29-15-19-31(53)20-16-29/h15-22,27-28,33-39,53-55H,7-14,23-26,47H2,1-6H3,(H,48,56)(H,49,57)(H,61,62)/t33-,34-,35-,36-,37-,38-,39-/m0/s1
+CH$LINK: PUBCHEM CID:10056525
+CH$LINK: INCHIKEY GTUNZCVHPMEXMH-ZTYVOHGWSA-N
+CH$LINK: CHEMSPIDER 8232083
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-924
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.776 min
+MS$FOCUSED_ION: BASE_PEAK 885.4538
+MS$FOCUSED_ION: PRECURSOR_M/Z 885.4534
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-02t9-0900000000-4548535462982f13ac96
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  58.0299 C2H4NO- 1 58.0298 0.58
+  74.0249 C2H4NO2- 1 74.0248 2
+  93.0346 C6H5O- 1 93.0346 -0.4
+  113.072 C5H9N2O- 2 113.072 -0.66
+  117.0344 C8H5O- 1 117.0346 -1.23
+  119.0501 C8H7O- 1 119.0502 -0.91
+  125.0353 C5H5N2O2- 2 125.0357 -2.51
+  127.088 C6H11N2O- 2 127.0877 2.68
+  129.1033 C6H13N2O- 2 129.1033 -0.15
+  139.0511 C6H7N2O2- 2 139.0513 -1.56
+  143.1188 C7H15N2O- 2 143.119 -1.57
+  145.0293 C9H5O2- 3 145.0295 -1.12
+  168.0905 C8H12N2O2- 2 168.0904 0.27
+  233.1286 C8H18ClN6- 3 233.1287 -0.42
+PK$NUM_PEAK: 14
+PK$PEAK: m/z int. rel.int.
+  58.0299 43289.4 82
+  74.0249 7644.9 14
+  93.0346 59523.5 114
+  113.072 521061.2 999
+  117.0344 95587.4 183
+  119.0501 497479.4 953
+  125.0353 42794.8 82
+  127.088 32479.2 62
+  129.1033 82359.1 157
+  139.0511 46815.5 89
+  143.1188 38730 74
+  145.0293 112703.3 216
+  168.0905 32438.8 62
+  233.1286 36307.1 69
+//
diff --git a/Eawag/MSBNK-EAWAG-EC224101.txt b/Eawag/MSBNK-EAWAG-EC224101.txt
new file mode 100644
index 0000000000..c6851cf12b
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC224101.txt
@@ -0,0 +1,45 @@
+ACCESSION: MSBNK-EAWAG-EC224101
+RECORD_TITLE: Microginin 299B; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.21577/0100-4042.20170640
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2241
+CH$NAME: Microginin 299B
+CH$NAME: (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-3-amino-10,10-dichloro-2-hydroxydecanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C45H66Cl2N6O10
+CH$EXACT_MASS: 920.4217477
+CH$SMILES: CC(C)[C@@H](C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)[C@@H](CC1=CC=C(C=C1)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)O)NC(=O)[C@H]([C@H](CCCCCCC(Cl)Cl)N)O
+CH$IUPAC: InChI=1S/C45H66Cl2N6O10/c1-26(2)37(50-41(58)39(56)32(48)12-9-7-8-10-14-36(46)47)43(60)52(6)38(27(3)4)44(61)51(5)35(25-29-17-21-31(55)22-18-29)42(59)53-23-11-13-34(53)40(57)49-33(45(62)63)24-28-15-19-30(54)20-16-28/h15-22,26-27,32-39,54-56H,7-14,23-25,48H2,1-6H3,(H,49,57)(H,50,58)(H,62,63)/t32-,33-,34-,35-,37-,38-,39-/m0/s1
+CH$LINK: PUBCHEM CID:11766324
+CH$LINK: INCHIKEY IPQXHBHVRZYMAN-RATCGQHHSA-N
+CH$LINK: CHEMSPIDER 9941013
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-961
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.340 min
+MS$FOCUSED_ION: BASE_PEAK 132.9584
+MS$FOCUSED_ION: PRECURSOR_M/Z 921.429
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-014i-0000900000-a2bd655dfa1ff175a8f3
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  466.2239 C28H28N5O2+ 10 466.2238 0.39
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  466.2239 854545.4 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC224102.txt b/Eawag/MSBNK-EAWAG-EC224102.txt
new file mode 100644
index 0000000000..e0ff6d25ea
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC224102.txt
@@ -0,0 +1,53 @@
+ACCESSION: MSBNK-EAWAG-EC224102
+RECORD_TITLE: Microginin 299B; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.21577/0100-4042.20170640
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2241
+CH$NAME: Microginin 299B
+CH$NAME: (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-3-amino-10,10-dichloro-2-hydroxydecanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C45H66Cl2N6O10
+CH$EXACT_MASS: 920.4217477
+CH$SMILES: CC(C)[C@@H](C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)[C@@H](CC1=CC=C(C=C1)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)O)NC(=O)[C@H]([C@H](CCCCCCC(Cl)Cl)N)O
+CH$IUPAC: InChI=1S/C45H66Cl2N6O10/c1-26(2)37(50-41(58)39(56)32(48)12-9-7-8-10-14-36(46)47)43(60)52(6)38(27(3)4)44(61)51(5)35(25-29-17-21-31(55)22-18-29)42(59)53-23-11-13-34(53)40(57)49-33(45(62)63)24-28-15-19-30(54)20-16-28/h15-22,26-27,32-39,54-56H,7-14,23-25,48H2,1-6H3,(H,49,57)(H,50,58)(H,62,63)/t32-,33-,34-,35-,37-,38-,39-/m0/s1
+CH$LINK: PUBCHEM CID:11766324
+CH$LINK: INCHIKEY IPQXHBHVRZYMAN-RATCGQHHSA-N
+CH$LINK: CHEMSPIDER 9941013
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-961
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.340 min
+MS$FOCUSED_ION: BASE_PEAK 132.9584
+MS$FOCUSED_ION: PRECURSOR_M/Z 921.429
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-014i-0100900000-a6e35a76ffc3114e47bc
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  86.0965 C5H12N+ 1 86.0964 0.55
+  132.102 C6H14NO2+ 2 132.1019 0.84
+  150.0916 C6H15ClN2+ 2 150.0918 -1.63
+  335.128 C22H15N4+ 9 335.1291 -3.33
+  466.2238 C28H28N5O2+ 11 466.2238 0.06
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  86.0965 59242.2 67
+  132.102 59318.2 67
+  150.0916 126621 143
+  335.128 23323.4 26
+  466.2238 878662.8 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC224103.txt b/Eawag/MSBNK-EAWAG-EC224103.txt
new file mode 100644
index 0000000000..d154b70f6e
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC224103.txt
@@ -0,0 +1,53 @@
+ACCESSION: MSBNK-EAWAG-EC224103
+RECORD_TITLE: Microginin 299B; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.21577/0100-4042.20170640
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2241
+CH$NAME: Microginin 299B
+CH$NAME: (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-3-amino-10,10-dichloro-2-hydroxydecanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C45H66Cl2N6O10
+CH$EXACT_MASS: 920.4217477
+CH$SMILES: CC(C)[C@@H](C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)[C@@H](CC1=CC=C(C=C1)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)O)NC(=O)[C@H]([C@H](CCCCCCC(Cl)Cl)N)O
+CH$IUPAC: InChI=1S/C45H66Cl2N6O10/c1-26(2)37(50-41(58)39(56)32(48)12-9-7-8-10-14-36(46)47)43(60)52(6)38(27(3)4)44(61)51(5)35(25-29-17-21-31(55)22-18-29)42(59)53-23-11-13-34(53)40(57)49-33(45(62)63)24-28-15-19-30(54)20-16-28/h15-22,26-27,32-39,54-56H,7-14,23-25,48H2,1-6H3,(H,49,57)(H,50,58)(H,62,63)/t32-,33-,34-,35-,37-,38-,39-/m0/s1
+CH$LINK: PUBCHEM CID:11766324
+CH$LINK: INCHIKEY IPQXHBHVRZYMAN-RATCGQHHSA-N
+CH$LINK: CHEMSPIDER 9941013
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-961
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.340 min
+MS$FOCUSED_ION: BASE_PEAK 132.9584
+MS$FOCUSED_ION: PRECURSOR_M/Z 921.429
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0gbi-4801900000-ca030e92b23c658b7ffc
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  86.0965 C5H12N+ 1 86.0964 1.08
+  132.102 C6H14NO2+ 2 132.1019 0.95
+  150.0914 C6H15ClN2+ 2 150.0918 -2.55
+  335.1293 C22H15N4+ 9 335.1291 0.4
+  466.2239 C28H28N5O2+ 10 466.2238 0.39
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  86.0965 254189 532
+  132.102 156396.3 327
+  150.0914 311624.9 653
+  335.1293 72359.6 151
+  466.2239 476721.1 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC224104.txt b/Eawag/MSBNK-EAWAG-EC224104.txt
new file mode 100644
index 0000000000..28ec3b08eb
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC224104.txt
@@ -0,0 +1,61 @@
+ACCESSION: MSBNK-EAWAG-EC224104
+RECORD_TITLE: Microginin 299B; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.21577/0100-4042.20170640
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2241
+CH$NAME: Microginin 299B
+CH$NAME: (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-3-amino-10,10-dichloro-2-hydroxydecanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C45H66Cl2N6O10
+CH$EXACT_MASS: 920.4217477
+CH$SMILES: CC(C)[C@@H](C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)[C@@H](CC1=CC=C(C=C1)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)O)NC(=O)[C@H]([C@H](CCCCCCC(Cl)Cl)N)O
+CH$IUPAC: InChI=1S/C45H66Cl2N6O10/c1-26(2)37(50-41(58)39(56)32(48)12-9-7-8-10-14-36(46)47)43(60)52(6)38(27(3)4)44(61)51(5)35(25-29-17-21-31(55)22-18-29)42(59)53-23-11-13-34(53)40(57)49-33(45(62)63)24-28-15-19-30(54)20-16-28/h15-22,26-27,32-39,54-56H,7-14,23-25,48H2,1-6H3,(H,49,57)(H,50,58)(H,62,63)/t32-,33-,34-,35-,37-,38-,39-/m0/s1
+CH$LINK: PUBCHEM CID:11766324
+CH$LINK: INCHIKEY IPQXHBHVRZYMAN-RATCGQHHSA-N
+CH$LINK: CHEMSPIDER 9941013
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-961
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.340 min
+MS$FOCUSED_ION: BASE_PEAK 132.9584
+MS$FOCUSED_ION: PRECURSOR_M/Z 921.429
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0f79-6901300000-a782a057a01c03e06339
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  86.0965 C5H12N+ 1 86.0964 1.34
+  132.102 C6H14NO2+ 2 132.1019 0.72
+  150.0915 C6H15ClN2+ 2 150.0918 -2.45
+  178.0867 C10H12NO2+ 3 178.0863 2.29
+  196.0654 C8H16Cl2N+ 4 196.0654 -0.2
+  279.1347 C8H25Cl2N4O2+ 6 279.1349 -0.64
+  335.1289 C22H15N4+ 9 335.1291 -0.78
+  403.1556 C23H22ClN5+ 11 403.1558 -0.56
+  466.224 C28H28N5O2+ 10 466.2238 0.52
+PK$NUM_PEAK: 9
+PK$PEAK: m/z int. rel.int.
+  86.0965 495346.6 999
+  132.102 166763.4 336
+  150.0915 325681.2 656
+  178.0867 29824.1 60
+  196.0654 157866.2 318
+  279.1347 35378 71
+  335.1289 84158.7 169
+  403.1556 80308.1 161
+  466.224 157415 317
+//
diff --git a/Eawag/MSBNK-EAWAG-EC224105.txt b/Eawag/MSBNK-EAWAG-EC224105.txt
new file mode 100644
index 0000000000..d81852609c
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC224105.txt
@@ -0,0 +1,53 @@
+ACCESSION: MSBNK-EAWAG-EC224105
+RECORD_TITLE: Microginin 299B; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.21577/0100-4042.20170640
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2241
+CH$NAME: Microginin 299B
+CH$NAME: (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-3-amino-10,10-dichloro-2-hydroxydecanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C45H66Cl2N6O10
+CH$EXACT_MASS: 920.4217477
+CH$SMILES: CC(C)[C@@H](C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)[C@@H](CC1=CC=C(C=C1)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)O)NC(=O)[C@H]([C@H](CCCCCCC(Cl)Cl)N)O
+CH$IUPAC: InChI=1S/C45H66Cl2N6O10/c1-26(2)37(50-41(58)39(56)32(48)12-9-7-8-10-14-36(46)47)43(60)52(6)38(27(3)4)44(61)51(5)35(25-29-17-21-31(55)22-18-29)42(59)53-23-11-13-34(53)40(57)49-33(45(62)63)24-28-15-19-30(54)20-16-28/h15-22,26-27,32-39,54-56H,7-14,23-25,48H2,1-6H3,(H,49,57)(H,50,58)(H,62,63)/t32-,33-,34-,35-,37-,38-,39-/m0/s1
+CH$LINK: PUBCHEM CID:11766324
+CH$LINK: INCHIKEY IPQXHBHVRZYMAN-RATCGQHHSA-N
+CH$LINK: CHEMSPIDER 9941013
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-961
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.340 min
+MS$FOCUSED_ION: BASE_PEAK 132.9584
+MS$FOCUSED_ION: PRECURSOR_M/Z 921.429
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-000i-7900000000-763167f96a2fd8ceebf3
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  86.0965 C5H12N+ 1 86.0964 1.34
+  132.1019 C6H14NO2+ 2 132.1019 -0.09
+  150.0914 C6H15ClN2+ 2 150.0918 -2.55
+  160.0891 C8H15ClN+ 1 160.0888 2.44
+  196.0655 C8H16Cl2N+ 4 196.0654 0.11
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  86.0965 689708.4 999
+  132.1019 81178.5 117
+  150.0914 344713 499
+  160.0891 23821.9 34
+  196.0655 344748.5 499
+//
diff --git a/Eawag/MSBNK-EAWAG-EC224106.txt b/Eawag/MSBNK-EAWAG-EC224106.txt
new file mode 100644
index 0000000000..5dbd6d42f7
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC224106.txt
@@ -0,0 +1,57 @@
+ACCESSION: MSBNK-EAWAG-EC224106
+RECORD_TITLE: Microginin 299B; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.21577/0100-4042.20170640
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2241
+CH$NAME: Microginin 299B
+CH$NAME: (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-3-amino-10,10-dichloro-2-hydroxydecanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C45H66Cl2N6O10
+CH$EXACT_MASS: 920.4217477
+CH$SMILES: CC(C)[C@@H](C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)[C@@H](CC1=CC=C(C=C1)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)O)NC(=O)[C@H]([C@H](CCCCCCC(Cl)Cl)N)O
+CH$IUPAC: InChI=1S/C45H66Cl2N6O10/c1-26(2)37(50-41(58)39(56)32(48)12-9-7-8-10-14-36(46)47)43(60)52(6)38(27(3)4)44(61)51(5)35(25-29-17-21-31(55)22-18-29)42(59)53-23-11-13-34(53)40(57)49-33(45(62)63)24-28-15-19-30(54)20-16-28/h15-22,26-27,32-39,54-56H,7-14,23-25,48H2,1-6H3,(H,49,57)(H,50,58)(H,62,63)/t32-,33-,34-,35-,37-,38-,39-/m0/s1
+CH$LINK: PUBCHEM CID:11766324
+CH$LINK: INCHIKEY IPQXHBHVRZYMAN-RATCGQHHSA-N
+CH$LINK: CHEMSPIDER 9941013
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-961
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.340 min
+MS$FOCUSED_ION: BASE_PEAK 132.9584
+MS$FOCUSED_ION: PRECURSOR_M/Z 921.429
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0f79-9800000000-619356be101b8ddb0e0c
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  55.0544 C4H7+ 1 55.0542 2.47
+  72.0808 C4H10N+ 1 72.0808 1.02
+  86.0965 C5H12N+ 1 86.0964 0.37
+  150.0913 C6H15ClN2+ 2 150.0918 -3.57
+  160.0887 C8H15ClN+ 2 160.0888 -0.61
+  196.0653 C8H16Cl2N+ 3 196.0654 -0.59
+  260.1286 C12H21ClN2O2+ 5 260.1286 -0.07
+PK$NUM_PEAK: 7
+PK$PEAK: m/z int. rel.int.
+  55.0544 21270.7 27
+  72.0808 80667.1 104
+  86.0965 771237.4 999
+  150.0913 391325.3 506
+  160.0887 112769.5 146
+  196.0653 344863.3 446
+  260.1286 33295.2 43
+//
diff --git a/Eawag/MSBNK-EAWAG-EC224107.txt b/Eawag/MSBNK-EAWAG-EC224107.txt
new file mode 100644
index 0000000000..298d77f5cf
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC224107.txt
@@ -0,0 +1,59 @@
+ACCESSION: MSBNK-EAWAG-EC224107
+RECORD_TITLE: Microginin 299B; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.21577/0100-4042.20170640
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2241
+CH$NAME: Microginin 299B
+CH$NAME: (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-3-amino-10,10-dichloro-2-hydroxydecanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C45H66Cl2N6O10
+CH$EXACT_MASS: 920.4217477
+CH$SMILES: CC(C)[C@@H](C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)[C@@H](CC1=CC=C(C=C1)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)O)NC(=O)[C@H]([C@H](CCCCCCC(Cl)Cl)N)O
+CH$IUPAC: InChI=1S/C45H66Cl2N6O10/c1-26(2)37(50-41(58)39(56)32(48)12-9-7-8-10-14-36(46)47)43(60)52(6)38(27(3)4)44(61)51(5)35(25-29-17-21-31(55)22-18-29)42(59)53-23-11-13-34(53)40(57)49-33(45(62)63)24-28-15-19-30(54)20-16-28/h15-22,26-27,32-39,54-56H,7-14,23-25,48H2,1-6H3,(H,49,57)(H,50,58)(H,62,63)/t32-,33-,34-,35-,37-,38-,39-/m0/s1
+CH$LINK: PUBCHEM CID:11766324
+CH$LINK: INCHIKEY IPQXHBHVRZYMAN-RATCGQHHSA-N
+CH$LINK: CHEMSPIDER 9941013
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-961
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.340 min
+MS$FOCUSED_ION: BASE_PEAK 132.9584
+MS$FOCUSED_ION: PRECURSOR_M/Z 921.429
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-000i-9800000000-9d16b54492cd9d559d98
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  55.0543 C4H7+ 1 55.0542 0.6
+  72.0809 C4H10N+ 1 72.0808 1.34
+  86.0965 C5H12N+ 1 86.0964 0.81
+  121.0648 C5H12ClN+ 2 121.0653 -3.72
+  130.0861 C3H15ClN2O+ 2 130.0867 -4.86
+  150.0914 C6H15ClN2+ 2 150.0918 -2.85
+  160.0887 C8H15ClN+ 2 160.0888 -0.14
+  196.0653 C8H16Cl2N+ 3 196.0654 -0.66
+PK$NUM_PEAK: 8
+PK$PEAK: m/z int. rel.int.
+  55.0543 42297.3 54
+  72.0809 82125.4 105
+  86.0965 778294.2 999
+  121.0648 36385.4 46
+  130.0861 38049.9 48
+  150.0914 301081.3 386
+  160.0887 251307 322
+  196.0653 239018.1 306
+//
diff --git a/Eawag/MSBNK-EAWAG-EC224108.txt b/Eawag/MSBNK-EAWAG-EC224108.txt
new file mode 100644
index 0000000000..93b460f4ec
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC224108.txt
@@ -0,0 +1,67 @@
+ACCESSION: MSBNK-EAWAG-EC224108
+RECORD_TITLE: Microginin 299B; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.21577/0100-4042.20170640
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2241
+CH$NAME: Microginin 299B
+CH$NAME: (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-3-amino-10,10-dichloro-2-hydroxydecanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C45H66Cl2N6O10
+CH$EXACT_MASS: 920.4217477
+CH$SMILES: CC(C)[C@@H](C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)[C@@H](CC1=CC=C(C=C1)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)O)NC(=O)[C@H]([C@H](CCCCCCC(Cl)Cl)N)O
+CH$IUPAC: InChI=1S/C45H66Cl2N6O10/c1-26(2)37(50-41(58)39(56)32(48)12-9-7-8-10-14-36(46)47)43(60)52(6)38(27(3)4)44(61)51(5)35(25-29-17-21-31(55)22-18-29)42(59)53-23-11-13-34(53)40(57)49-33(45(62)63)24-28-15-19-30(54)20-16-28/h15-22,26-27,32-39,54-56H,7-14,23-25,48H2,1-6H3,(H,49,57)(H,50,58)(H,62,63)/t32-,33-,34-,35-,37-,38-,39-/m0/s1
+CH$LINK: PUBCHEM CID:11766324
+CH$LINK: INCHIKEY IPQXHBHVRZYMAN-RATCGQHHSA-N
+CH$LINK: CHEMSPIDER 9941013
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-961
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.340 min
+MS$FOCUSED_ION: BASE_PEAK 132.9584
+MS$FOCUSED_ION: PRECURSOR_M/Z 921.429
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-000i-9600000000-fe36c407f85e3ff9d10f
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  55.0543 C4H7+ 1 55.0542 0.81
+  70.0653 C4H8N+ 1 70.0651 2.1
+  72.0808 C4H10N+ 1 72.0808 0.81
+  79.0544 C6H7+ 1 79.0542 2.23
+  86.0965 C5H12N+ 1 86.0964 0.99
+  91.0544 C7H7+ 1 91.0542 2.07
+  107.086 C8H11+ 1 107.0855 4.37
+  121.0647 C5H12ClN+ 2 121.0653 -4.92
+  135.0679 C8H9NO+ 2 135.0679 0.37
+  150.0914 C6H15ClN2+ 2 150.0918 -2.96
+  160.0888 C8H15ClN+ 2 160.0888 0.44
+  196.0653 C8H16Cl2N+ 3 196.0654 -0.9
+PK$NUM_PEAK: 12
+PK$PEAK: m/z int. rel.int.
+  55.0543 66757.3 97
+  70.0653 17873 26
+  72.0808 111733.9 162
+  79.0544 31096.6 45
+  86.0965 685201 999
+  91.0544 17926.6 26
+  107.086 19343.5 28
+  121.0647 36776.4 53
+  135.0679 18734.6 27
+  150.0914 219960.5 320
+  160.0888 261848.5 381
+  196.0653 94684.7 138
+//
diff --git a/Eawag/MSBNK-EAWAG-EC224109.txt b/Eawag/MSBNK-EAWAG-EC224109.txt
new file mode 100644
index 0000000000..966417eeaa
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC224109.txt
@@ -0,0 +1,71 @@
+ACCESSION: MSBNK-EAWAG-EC224109
+RECORD_TITLE: Microginin 299B; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.21577/0100-4042.20170640
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2241
+CH$NAME: Microginin 299B
+CH$NAME: (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-3-amino-10,10-dichloro-2-hydroxydecanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C45H66Cl2N6O10
+CH$EXACT_MASS: 920.4217477
+CH$SMILES: CC(C)[C@@H](C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)[C@@H](CC1=CC=C(C=C1)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)O)NC(=O)[C@H]([C@H](CCCCCCC(Cl)Cl)N)O
+CH$IUPAC: InChI=1S/C45H66Cl2N6O10/c1-26(2)37(50-41(58)39(56)32(48)12-9-7-8-10-14-36(46)47)43(60)52(6)38(27(3)4)44(61)51(5)35(25-29-17-21-31(55)22-18-29)42(59)53-23-11-13-34(53)40(57)49-33(45(62)63)24-28-15-19-30(54)20-16-28/h15-22,26-27,32-39,54-56H,7-14,23-25,48H2,1-6H3,(H,49,57)(H,50,58)(H,62,63)/t32-,33-,34-,35-,37-,38-,39-/m0/s1
+CH$LINK: PUBCHEM CID:11766324
+CH$LINK: INCHIKEY IPQXHBHVRZYMAN-RATCGQHHSA-N
+CH$LINK: CHEMSPIDER 9941013
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-961
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.340 min
+MS$FOCUSED_ION: BASE_PEAK 132.9584
+MS$FOCUSED_ION: PRECURSOR_M/Z 921.429
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-000i-9400000000-b1152b1ac691efb068b8
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  55.0543 C4H7+ 1 55.0542 1.29
+  70.0654 C4H8N+ 1 70.0651 3.51
+  71.0732 C4H9N+ 1 71.073 3.97
+  72.0808 C4H10N+ 1 72.0808 1.02
+  79.0543 C6H7+ 1 79.0542 0.69
+  81.0701 C6H9+ 1 81.0699 2.8
+  86.0965 C5H12N+ 1 86.0964 0.9
+  91.0546 C7H7+ 1 91.0542 3.58
+  107.0496 C7H7O+ 2 107.0491 4.45
+  107.0858 C8H11+ 1 107.0855 2.23
+  121.0649 C5H12ClN+ 2 121.0653 -3.22
+  135.0681 C8H9NO+ 2 135.0679 1.72
+  150.0915 C6H15ClN2+ 2 150.0918 -2.14
+  160.0888 C8H15ClN+ 2 160.0888 0.25
+PK$NUM_PEAK: 14
+PK$PEAK: m/z int. rel.int.
+  55.0543 79950.8 152
+  70.0654 25187.6 47
+  71.0732 28740.8 54
+  72.0808 101508.1 193
+  79.0543 55221.3 105
+  81.0701 27146.4 51
+  86.0965 524374.7 999
+  91.0546 31027.1 59
+  107.0496 26932 51
+  107.0858 27143.6 51
+  121.0649 26854.5 51
+  135.0681 32096.3 61
+  150.0915 140103.7 266
+  160.0888 160188.9 305
+//
diff --git a/Eawag/MSBNK-EAWAG-EC224151.txt b/Eawag/MSBNK-EAWAG-EC224151.txt
new file mode 100644
index 0000000000..8e224e47ee
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC224151.txt
@@ -0,0 +1,45 @@
+ACCESSION: MSBNK-EAWAG-EC224151
+RECORD_TITLE: Microginin 299B; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.21577/0100-4042.20170640
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2241
+CH$NAME: Microginin 299B
+CH$NAME: (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-3-amino-10,10-dichloro-2-hydroxydecanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C45H66Cl2N6O10
+CH$EXACT_MASS: 920.4217477
+CH$SMILES: CC(C)[C@@H](C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)[C@@H](CC1=CC=C(C=C1)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)O)NC(=O)[C@H]([C@H](CCCCCCC(Cl)Cl)N)O
+CH$IUPAC: InChI=1S/C45H66Cl2N6O10/c1-26(2)37(50-41(58)39(56)32(48)12-9-7-8-10-14-36(46)47)43(60)52(6)38(27(3)4)44(61)51(5)35(25-29-17-21-31(55)22-18-29)42(59)53-23-11-13-34(53)40(57)49-33(45(62)63)24-28-15-19-30(54)20-16-28/h15-22,26-27,32-39,54-56H,7-14,23-25,48H2,1-6H3,(H,49,57)(H,50,58)(H,62,63)/t32-,33-,34-,35-,37-,38-,39-/m0/s1
+CH$LINK: PUBCHEM CID:11766324
+CH$LINK: INCHIKEY IPQXHBHVRZYMAN-RATCGQHHSA-N
+CH$LINK: CHEMSPIDER 9941013
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-959
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.354 min
+MS$FOCUSED_ION: BASE_PEAK 197.8073
+MS$FOCUSED_ION: PRECURSOR_M/Z 919.4145
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-014i-0000000009-e29423e909043622589b
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  919.4142 C45H65Cl2N6O10- 1 919.4145 -0.29
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  919.4142 396322.1 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC224152.txt b/Eawag/MSBNK-EAWAG-EC224152.txt
new file mode 100644
index 0000000000..c2255cc433
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC224152.txt
@@ -0,0 +1,45 @@
+ACCESSION: MSBNK-EAWAG-EC224152
+RECORD_TITLE: Microginin 299B; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.21577/0100-4042.20170640
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2241
+CH$NAME: Microginin 299B
+CH$NAME: (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-3-amino-10,10-dichloro-2-hydroxydecanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C45H66Cl2N6O10
+CH$EXACT_MASS: 920.4217477
+CH$SMILES: CC(C)[C@@H](C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)[C@@H](CC1=CC=C(C=C1)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)O)NC(=O)[C@H]([C@H](CCCCCCC(Cl)Cl)N)O
+CH$IUPAC: InChI=1S/C45H66Cl2N6O10/c1-26(2)37(50-41(58)39(56)32(48)12-9-7-8-10-14-36(46)47)43(60)52(6)38(27(3)4)44(61)51(5)35(25-29-17-21-31(55)22-18-29)42(59)53-23-11-13-34(53)40(57)49-33(45(62)63)24-28-15-19-30(54)20-16-28/h15-22,26-27,32-39,54-56H,7-14,23-25,48H2,1-6H3,(H,49,57)(H,50,58)(H,62,63)/t32-,33-,34-,35-,37-,38-,39-/m0/s1
+CH$LINK: PUBCHEM CID:11766324
+CH$LINK: INCHIKEY IPQXHBHVRZYMAN-RATCGQHHSA-N
+CH$LINK: CHEMSPIDER 9941013
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-959
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.354 min
+MS$FOCUSED_ION: BASE_PEAK 197.8073
+MS$FOCUSED_ION: PRECURSOR_M/Z 919.4145
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-014i-0000000009-18880c36c5c12bdb7656
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  919.4139 C45H65Cl2N6O10- 1 919.4145 -0.62
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  919.4139 527867.7 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC224153.txt b/Eawag/MSBNK-EAWAG-EC224153.txt
new file mode 100644
index 0000000000..6a84339078
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC224153.txt
@@ -0,0 +1,47 @@
+ACCESSION: MSBNK-EAWAG-EC224153
+RECORD_TITLE: Microginin 299B; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.21577/0100-4042.20170640
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2241
+CH$NAME: Microginin 299B
+CH$NAME: (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-3-amino-10,10-dichloro-2-hydroxydecanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C45H66Cl2N6O10
+CH$EXACT_MASS: 920.4217477
+CH$SMILES: CC(C)[C@@H](C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)[C@@H](CC1=CC=C(C=C1)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)O)NC(=O)[C@H]([C@H](CCCCCCC(Cl)Cl)N)O
+CH$IUPAC: InChI=1S/C45H66Cl2N6O10/c1-26(2)37(50-41(58)39(56)32(48)12-9-7-8-10-14-36(46)47)43(60)52(6)38(27(3)4)44(61)51(5)35(25-29-17-21-31(55)22-18-29)42(59)53-23-11-13-34(53)40(57)49-33(45(62)63)24-28-15-19-30(54)20-16-28/h15-22,26-27,32-39,54-56H,7-14,23-25,48H2,1-6H3,(H,49,57)(H,50,58)(H,62,63)/t32-,33-,34-,35-,37-,38-,39-/m0/s1
+CH$LINK: PUBCHEM CID:11766324
+CH$LINK: INCHIKEY IPQXHBHVRZYMAN-RATCGQHHSA-N
+CH$LINK: CHEMSPIDER 9941013
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-959
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.354 min
+MS$FOCUSED_ION: BASE_PEAK 197.8073
+MS$FOCUSED_ION: PRECURSOR_M/Z 919.4145
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-014i-0000000019-328cbe06fa9b7287c988
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  883.4347 C45H64ClN6O10- 1 883.4378 -3.49
+  919.414 C45H65Cl2N6O10- 1 919.4145 -0.55
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  883.4347 50721.4 153
+  919.414 330041.3 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC224154.txt b/Eawag/MSBNK-EAWAG-EC224154.txt
new file mode 100644
index 0000000000..1af9e10574
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC224154.txt
@@ -0,0 +1,49 @@
+ACCESSION: MSBNK-EAWAG-EC224154
+RECORD_TITLE: Microginin 299B; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.21577/0100-4042.20170640
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2241
+CH$NAME: Microginin 299B
+CH$NAME: (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-3-amino-10,10-dichloro-2-hydroxydecanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C45H66Cl2N6O10
+CH$EXACT_MASS: 920.4217477
+CH$SMILES: CC(C)[C@@H](C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)[C@@H](CC1=CC=C(C=C1)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)O)NC(=O)[C@H]([C@H](CCCCCCC(Cl)Cl)N)O
+CH$IUPAC: InChI=1S/C45H66Cl2N6O10/c1-26(2)37(50-41(58)39(56)32(48)12-9-7-8-10-14-36(46)47)43(60)52(6)38(27(3)4)44(61)51(5)35(25-29-17-21-31(55)22-18-29)42(59)53-23-11-13-34(53)40(57)49-33(45(62)63)24-28-15-19-30(54)20-16-28/h15-22,26-27,32-39,54-56H,7-14,23-25,48H2,1-6H3,(H,49,57)(H,50,58)(H,62,63)/t32-,33-,34-,35-,37-,38-,39-/m0/s1
+CH$LINK: PUBCHEM CID:11766324
+CH$LINK: INCHIKEY IPQXHBHVRZYMAN-RATCGQHHSA-N
+CH$LINK: CHEMSPIDER 9941013
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-959
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.354 min
+MS$FOCUSED_ION: BASE_PEAK 197.8073
+MS$FOCUSED_ION: PRECURSOR_M/Z 919.4145
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-004i-0090000002-2621bd52b42325fa8036
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  145.0296 C9H5O2- 2 145.0295 0.35
+  277.1185 C9H18ClN6O2- 7 277.1185 0.02
+  919.4133 C45H65Cl2N6O10- 1 919.4145 -1.28
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  145.0296 22638.5 93
+  277.1185 241467.1 999
+  919.4133 68260.5 282
+//
diff --git a/Eawag/MSBNK-EAWAG-EC224155.txt b/Eawag/MSBNK-EAWAG-EC224155.txt
new file mode 100644
index 0000000000..d0ed0dd12f
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC224155.txt
@@ -0,0 +1,55 @@
+ACCESSION: MSBNK-EAWAG-EC224155
+RECORD_TITLE: Microginin 299B; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.21577/0100-4042.20170640
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2241
+CH$NAME: Microginin 299B
+CH$NAME: (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-3-amino-10,10-dichloro-2-hydroxydecanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C45H66Cl2N6O10
+CH$EXACT_MASS: 920.4217477
+CH$SMILES: CC(C)[C@@H](C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)[C@@H](CC1=CC=C(C=C1)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)O)NC(=O)[C@H]([C@H](CCCCCCC(Cl)Cl)N)O
+CH$IUPAC: InChI=1S/C45H66Cl2N6O10/c1-26(2)37(50-41(58)39(56)32(48)12-9-7-8-10-14-36(46)47)43(60)52(6)38(27(3)4)44(61)51(5)35(25-29-17-21-31(55)22-18-29)42(59)53-23-11-13-34(53)40(57)49-33(45(62)63)24-28-15-19-30(54)20-16-28/h15-22,26-27,32-39,54-56H,7-14,23-25,48H2,1-6H3,(H,49,57)(H,50,58)(H,62,63)/t32-,33-,34-,35-,37-,38-,39-/m0/s1
+CH$LINK: PUBCHEM CID:11766324
+CH$LINK: INCHIKEY IPQXHBHVRZYMAN-RATCGQHHSA-N
+CH$LINK: CHEMSPIDER 9941013
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-959
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.354 min
+MS$FOCUSED_ION: BASE_PEAK 197.8073
+MS$FOCUSED_ION: PRECURSOR_M/Z 919.4145
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-004i-0590000000-34e0d0133173190b20b8
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  113.072 C5H9N2O- 2 113.072 -0.45
+  119.0499 C8H7O- 1 119.0502 -2.71
+  145.0292 C9H5O2- 2 145.0295 -2.38
+  171.0767 C2H12ClN6O- 4 171.0767 0.38
+  242.1871 C5H34Cl2NO4- 5 242.187 0.27
+  277.1187 C9H18ClN6O2- 6 277.1185 0.68
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  113.072 44062.4 118
+  119.0499 104228.2 281
+  145.0292 69954 188
+  171.0767 35406.2 95
+  242.1871 19034.1 51
+  277.1187 370212.8 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC224201.txt b/Eawag/MSBNK-EAWAG-EC224201.txt
new file mode 100644
index 0000000000..7c18f4940f
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC224201.txt
@@ -0,0 +1,52 @@
+ACCESSION: MSBNK-EAWAG-EC224201
+RECORD_TITLE: Microginin 299C; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.21577/0100-4042.20170640
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2242
+CH$NAME: Microginin 299C
+CH$NAME: (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-3-amino-2-hydroxydecanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C45H68N6O10
+CH$EXACT_MASS: 852.4996924
+CH$SMILES: CCCCCCC[C@@H]([C@@H](C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)[C@@H](CC1=CC=C(C=C1)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)O)O)N
+CH$IUPAC: InChI=1S/C45H68N6O10/c1-8-9-10-11-12-14-33(46)39(54)41(56)48-37(27(2)3)43(58)50(7)38(28(4)5)44(59)49(6)36(26-30-18-22-32(53)23-19-30)42(57)51-24-13-15-35(51)40(55)47-34(45(60)61)25-29-16-20-31(52)21-17-29/h16-23,27-28,33-39,52-54H,8-15,24-26,46H2,1-7H3,(H,47,55)(H,48,56)(H,60,61)/t33-,34-,35-,36-,37-,38-,39-/m0/s1
+CH$LINK: PUBCHEM CID:10463277
+CH$LINK: INCHIKEY DTXKFCMLEVLURZ-ZTYVOHGWSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-892
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.312 min
+MS$FOCUSED_ION: BASE_PEAK 853.5069
+MS$FOCUSED_ION: PRECURSOR_M/Z 853.507
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-002b-0009180000-2c6b51ce7fc82344f075
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  132.1018 C6H14NO2+ 1 132.1019 -0.55
+  150.091 C9H12NO+ 1 150.0913 -2.05
+  398.301 C21H40N3O4+ 3 398.3013 -0.83
+  456.2126 C24H30N3O6+ 3 456.2129 -0.73
+  575.3805 C31H51N4O6+ 5 575.3803 0.31
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  132.1018 309745.9 11
+  150.091 287639.4 10
+  398.301 27736328 999
+  456.2126 3139176.5 113
+  575.3805 25512252 918
+//
diff --git a/Eawag/MSBNK-EAWAG-EC224202.txt b/Eawag/MSBNK-EAWAG-EC224202.txt
new file mode 100644
index 0000000000..15fd2525f9
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC224202.txt
@@ -0,0 +1,66 @@
+ACCESSION: MSBNK-EAWAG-EC224202
+RECORD_TITLE: Microginin 299C; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.21577/0100-4042.20170640
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2242
+CH$NAME: Microginin 299C
+CH$NAME: (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-3-amino-2-hydroxydecanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C45H68N6O10
+CH$EXACT_MASS: 852.4996924
+CH$SMILES: CCCCCCC[C@@H]([C@@H](C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)[C@@H](CC1=CC=C(C=C1)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)O)O)N
+CH$IUPAC: InChI=1S/C45H68N6O10/c1-8-9-10-11-12-14-33(46)39(54)41(56)48-37(27(2)3)43(58)50(7)38(28(4)5)44(59)49(6)36(26-30-18-22-32(53)23-19-30)42(57)51-24-13-15-35(51)40(55)47-34(45(60)61)25-29-16-20-31(52)21-17-29/h16-23,27-28,33-39,52-54H,8-15,24-26,46H2,1-7H3,(H,47,55)(H,48,56)(H,60,61)/t33-,34-,35-,36-,37-,38-,39-/m0/s1
+CH$LINK: PUBCHEM CID:10463277
+CH$LINK: INCHIKEY DTXKFCMLEVLURZ-ZTYVOHGWSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-892
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.312 min
+MS$FOCUSED_ION: BASE_PEAK 853.5069
+MS$FOCUSED_ION: PRECURSOR_M/Z 853.507
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-002b-0109160000-3f21c5095fbd0b88d43b
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  86.0964 C5H12N+ 1 86.0964 -0.34
+  132.1019 C6H14NO2+ 1 132.1019 -0.32
+  150.0912 C9H12NO+ 1 150.0913 -0.63
+  206.0808 C11H12NO3+ 2 206.0812 -1.6
+  271.1648 C11H21N5O3+ 2 271.1639 3.23
+  291.1694 C14H21N5O2+ 2 291.169 1.61
+  380.2917 C21H38N3O3+ 4 380.2908 2.55
+  398.301 C21H40N3O4+ 3 398.3013 -0.9
+  426.2957 C24H42O6+ 3 426.2976 -4.34
+  456.2128 C24H30N3O6+ 3 456.2129 -0.2
+  462.2959 C25H40N3O5+ 3 462.2962 -0.66
+  575.3804 C31H51N4O6+ 5 575.3803 0.09
+PK$NUM_PEAK: 12
+PK$PEAK: m/z int. rel.int.
+  86.0964 1598369.1 49
+  132.1019 2541761.2 78
+  150.0912 4082469 125
+  206.0808 769546.9 23
+  271.1648 328179 10
+  291.1694 507760.1 15
+  380.2917 664612.8 20
+  398.301 32441628 999
+  426.2957 791474.6 24
+  456.2128 3198811 98
+  462.2959 2033120.8 62
+  575.3804 22589606 695
+//
diff --git a/Eawag/MSBNK-EAWAG-EC224203.txt b/Eawag/MSBNK-EAWAG-EC224203.txt
new file mode 100644
index 0000000000..6d2320220d
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC224203.txt
@@ -0,0 +1,84 @@
+ACCESSION: MSBNK-EAWAG-EC224203
+RECORD_TITLE: Microginin 299C; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.21577/0100-4042.20170640
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2242
+CH$NAME: Microginin 299C
+CH$NAME: (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-3-amino-2-hydroxydecanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C45H68N6O10
+CH$EXACT_MASS: 852.4996924
+CH$SMILES: CCCCCCC[C@@H]([C@@H](C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)[C@@H](CC1=CC=C(C=C1)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)O)O)N
+CH$IUPAC: InChI=1S/C45H68N6O10/c1-8-9-10-11-12-14-33(46)39(54)41(56)48-37(27(2)3)43(58)50(7)38(28(4)5)44(59)49(6)36(26-30-18-22-32(53)23-19-30)42(57)51-24-13-15-35(51)40(55)47-34(45(60)61)25-29-16-20-31(52)21-17-29/h16-23,27-28,33-39,52-54H,8-15,24-26,46H2,1-7H3,(H,47,55)(H,48,56)(H,60,61)/t33-,34-,35-,36-,37-,38-,39-/m0/s1
+CH$LINK: PUBCHEM CID:10463277
+CH$LINK: INCHIKEY DTXKFCMLEVLURZ-ZTYVOHGWSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-892
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.312 min
+MS$FOCUSED_ION: BASE_PEAK 853.5069
+MS$FOCUSED_ION: PRECURSOR_M/Z 853.507
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0002-2739220000-7998049cb83102848406
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  86.0965 C5H12N+ 1 86.0964 0.46
+  128.1434 C8H18N+ 1 128.1434 0.42
+  132.1019 C6H14NO2+ 1 132.1019 0.15
+  150.0913 C9H12NO+ 1 150.0913 -0.12
+  195.1124 C10H15N2O2+ 2 195.1128 -2.25
+  196.1331 C11H18NO2+ 1 196.1332 -0.4
+  206.081 C11H12NO3+ 1 206.0812 -0.93
+  241.154 C12H21N2O3+ 2 241.1547 -2.69
+  267.2061 C15H27N2O2+ 2 267.2067 -2.29
+  271.1645 C11H21N5O3+ 2 271.1639 2.22
+  285.2169 C13H27N5O2+ 2 285.2159 3.33
+  299.2317 C14H29N5O2+ 2 299.2316 0.57
+  335.2325 C19H31N2O3+ 2 335.2329 -1.25
+  363.228 C18H29N5O3+ 3 363.2265 4.12
+  380.2899 C21H38N3O3+ 3 380.2908 -2.19
+  398.3013 C21H40N3O4+ 3 398.3013 -0.14
+  408.2853 C22H38N3O4+ 3 408.2857 -0.83
+  426.296 C24H42O6+ 3 426.2976 -3.84
+  456.2126 C24H30N3O6+ 3 456.2129 -0.6
+  462.2965 C25H40N3O5+ 3 462.2962 0.46
+  575.3807 C31H51N4O6+ 4 575.3803 0.62
+PK$NUM_PEAK: 21
+PK$PEAK: m/z int. rel.int.
+  86.0965 6372142.5 331
+  128.1434 1593002.5 82
+  132.1019 6187859 322
+  150.0913 9371248 487
+  195.1124 611985.1 31
+  196.1331 238729.8 12
+  206.081 1957796.2 101
+  241.154 235571.2 12
+  267.2061 3467750.5 180
+  271.1645 1014537.9 52
+  285.2169 771082.6 40
+  299.2317 348399.8 18
+  335.2325 2063224.9 107
+  363.228 213196.5 11
+  380.2899 1088818 56
+  398.3013 19189984 999
+  408.2853 430763.8 22
+  426.296 895612.6 46
+  456.2126 2172154.8 113
+  462.2965 3955452.5 205
+  575.3807 6335770.5 329
+//
diff --git a/Eawag/MSBNK-EAWAG-EC224204.txt b/Eawag/MSBNK-EAWAG-EC224204.txt
new file mode 100644
index 0000000000..b8c46eda46
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC224204.txt
@@ -0,0 +1,98 @@
+ACCESSION: MSBNK-EAWAG-EC224204
+RECORD_TITLE: Microginin 299C; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.21577/0100-4042.20170640
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2242
+CH$NAME: Microginin 299C
+CH$NAME: (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-3-amino-2-hydroxydecanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C45H68N6O10
+CH$EXACT_MASS: 852.4996924
+CH$SMILES: CCCCCCC[C@@H]([C@@H](C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)[C@@H](CC1=CC=C(C=C1)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)O)O)N
+CH$IUPAC: InChI=1S/C45H68N6O10/c1-8-9-10-11-12-14-33(46)39(54)41(56)48-37(27(2)3)43(58)50(7)38(28(4)5)44(59)49(6)36(26-30-18-22-32(53)23-19-30)42(57)51-24-13-15-35(51)40(55)47-34(45(60)61)25-29-16-20-31(52)21-17-29/h16-23,27-28,33-39,52-54H,8-15,24-26,46H2,1-7H3,(H,47,55)(H,48,56)(H,60,61)/t33-,34-,35-,36-,37-,38-,39-/m0/s1
+CH$LINK: PUBCHEM CID:10463277
+CH$LINK: INCHIKEY DTXKFCMLEVLURZ-ZTYVOHGWSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-892
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.312 min
+MS$FOCUSED_ION: BASE_PEAK 853.5069
+MS$FOCUSED_ION: PRECURSOR_M/Z 853.507
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0f79-4933100000-a2c18086e1f7e777dd4d
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  72.0808 C4H10N+ 1 72.0808 0.17
+  86.0965 C5H12N+ 1 86.0964 0.63
+  128.1434 C8H18N+ 1 128.1434 0.42
+  131.118 C6H15N2O+ 1 131.1179 0.47
+  132.1019 C6H14NO2+ 1 132.1019 0.03
+  140.1434 C9H18N+ 1 140.1434 0.04
+  142.0865 C7H12NO2+ 1 142.0863 1.46
+  150.0913 C9H12NO+ 1 150.0913 -0.02
+  178.0861 C10H12NO2+ 1 178.0863 -0.62
+  195.1127 C10H15N2O2+ 1 195.1128 -0.69
+  196.1337 C11H18NO2+ 1 196.1332 2.55
+  206.0809 C11H12NO3+ 1 206.0812 -1.38
+  231.1695 C11H23N2O3+ 2 231.1703 -3.53
+  239.2115 C14H27N2O+ 2 239.2118 -1.3
+  241.1546 C12H21N2O3+ 1 241.1547 -0.23
+  260.128 C15H18NO3+ 3 260.1281 -0.43
+  267.2061 C15H27N2O2+ 2 267.2067 -2.18
+  271.1646 C11H21N5O3+ 2 271.1639 2.67
+  285.2169 C13H27N5O2+ 2 285.2159 3.33
+  299.2318 C14H29N5O2+ 2 299.2316 0.67
+  335.2326 C19H31N2O3+ 2 335.2329 -0.98
+  363.2252 C18H29N5O3+ 3 363.2265 -3.44
+  380.2905 C21H38N3O3+ 3 380.2908 -0.66
+  398.3012 C21H40N3O4+ 3 398.3013 -0.21
+  408.2854 C22H38N3O4+ 3 408.2857 -0.76
+  434.3013 C22H38N6O3+ 3 434.3 2.98
+  456.2128 C24H30N3O6+ 3 456.2129 -0.33
+  462.2965 C25H40N3O5+ 3 462.2962 0.46
+PK$NUM_PEAK: 28
+PK$PEAK: m/z int. rel.int.
+  72.0808 502878.8 34
+  86.0965 14483917 999
+  128.1434 5475451.5 377
+  131.118 350767.4 24
+  132.1019 6926216 477
+  140.1434 305960.7 21
+  142.0865 157741.4 10
+  150.0913 11289617 778
+  178.0861 1122026.2 77
+  195.1127 2052824.9 141
+  196.1337 468281.7 32
+  206.0809 2151255 148
+  231.1695 717972.3 49
+  239.2115 1009572.7 69
+  241.1546 270918.8 18
+  260.128 475964 32
+  267.2061 4184803.5 288
+  271.1646 1303911.5 89
+  285.2169 819942.7 56
+  299.2318 465012.2 32
+  335.2326 3542245.2 244
+  363.2252 841683.2 58
+  380.2905 873458.6 60
+  398.3012 6837156 471
+  408.2854 300675.4 20
+  434.3013 1338431.6 92
+  456.2128 997062.2 68
+  462.2965 2922626.2 201
+//
diff --git a/Eawag/MSBNK-EAWAG-EC224205.txt b/Eawag/MSBNK-EAWAG-EC224205.txt
new file mode 100644
index 0000000000..b1a9bd95fe
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC224205.txt
@@ -0,0 +1,92 @@
+ACCESSION: MSBNK-EAWAG-EC224205
+RECORD_TITLE: Microginin 299C; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.21577/0100-4042.20170640
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2242
+CH$NAME: Microginin 299C
+CH$NAME: (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-3-amino-2-hydroxydecanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C45H68N6O10
+CH$EXACT_MASS: 852.4996924
+CH$SMILES: CCCCCCC[C@@H]([C@@H](C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)[C@@H](CC1=CC=C(C=C1)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)O)O)N
+CH$IUPAC: InChI=1S/C45H68N6O10/c1-8-9-10-11-12-14-33(46)39(54)41(56)48-37(27(2)3)43(58)50(7)38(28(4)5)44(59)49(6)36(26-30-18-22-32(53)23-19-30)42(57)51-24-13-15-35(51)40(55)47-34(45(60)61)25-29-16-20-31(52)21-17-29/h16-23,27-28,33-39,52-54H,8-15,24-26,46H2,1-7H3,(H,47,55)(H,48,56)(H,60,61)/t33-,34-,35-,36-,37-,38-,39-/m0/s1
+CH$LINK: PUBCHEM CID:10463277
+CH$LINK: INCHIKEY DTXKFCMLEVLURZ-ZTYVOHGWSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-892
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.312 min
+MS$FOCUSED_ION: BASE_PEAK 853.5069
+MS$FOCUSED_ION: PRECURSOR_M/Z 853.507
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-002r-6910000000-c839d2aea44d09332d3f
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  55.0542 C4H7+ 1 55.0542 -0.23
+  69.0699 C5H9+ 1 69.0699 -0.21
+  70.0652 C4H8N+ 1 70.0651 0.57
+  72.0809 C4H10N+ 1 72.0808 1.23
+  86.0965 C5H12N+ 1 86.0964 0.55
+  114.0912 C6H12NO+ 1 114.0913 -1.19
+  128.1434 C8H18N+ 1 128.1434 0.06
+  130.0865 C6H12NO2+ 1 130.0863 1.58
+  132.1019 C6H14NO2+ 1 132.1019 0.26
+  140.1436 C9H18N+ 1 140.1434 1.78
+  142.0864 C7H12NO2+ 1 142.0863 0.81
+  150.0913 C9H12NO+ 1 150.0913 -0.22
+  158.1538 C9H20NO+ 1 158.1539 -0.71
+  168.1382 C10H18NO+ 1 168.1383 -0.63
+  178.0861 C10H12NO2+ 1 178.0863 -0.7
+  195.1125 C10H15N2O2+ 1 195.1128 -1.71
+  196.1333 C11H18NO2+ 1 196.1332 0.53
+  231.1699 C11H23N2O3+ 2 231.1703 -1.75
+  239.2111 C14H27N2O+ 2 239.2118 -3.02
+  257.222 C14H29N2O2+ 2 257.2224 -1.34
+  260.1281 C15H18NO3+ 2 260.1281 -0.08
+  267.2063 C15H27N2O2+ 2 267.2067 -1.49
+  335.2326 C19H31N2O3+ 2 335.2329 -0.98
+  363.2262 C18H29N5O3+ 3 363.2265 -0.67
+  434.302 C22H38N6O3+ 4 434.3 4.67
+PK$NUM_PEAK: 25
+PK$PEAK: m/z int. rel.int.
+  55.0542 254534.4 12
+  69.0699 204340.3 10
+  70.0652 358359.2 17
+  72.0809 1978877.4 97
+  86.0965 20276124 999
+  114.0912 466564.8 22
+  128.1434 12440212 612
+  130.0865 494740.8 24
+  132.1019 3183220.2 156
+  140.1436 636564.3 31
+  142.0864 229685.4 11
+  150.0913 11461182 564
+  158.1538 575494.7 28
+  168.1382 817689.3 40
+  178.0861 1625019.6 80
+  195.1125 1608879 79
+  196.1333 801855 39
+  231.1699 250337.3 12
+  239.2111 616603.2 30
+  257.222 691340.5 34
+  260.1281 1268007 62
+  267.2063 1603535 79
+  335.2326 2652435.2 130
+  363.2262 498527.5 24
+  434.302 383528.4 18
+//
diff --git a/Eawag/MSBNK-EAWAG-EC224206.txt b/Eawag/MSBNK-EAWAG-EC224206.txt
new file mode 100644
index 0000000000..16118bff5a
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC224206.txt
@@ -0,0 +1,78 @@
+ACCESSION: MSBNK-EAWAG-EC224206
+RECORD_TITLE: Microginin 299C; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.21577/0100-4042.20170640
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2242
+CH$NAME: Microginin 299C
+CH$NAME: (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-3-amino-2-hydroxydecanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C45H68N6O10
+CH$EXACT_MASS: 852.4996924
+CH$SMILES: CCCCCCC[C@@H]([C@@H](C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)[C@@H](CC1=CC=C(C=C1)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)O)O)N
+CH$IUPAC: InChI=1S/C45H68N6O10/c1-8-9-10-11-12-14-33(46)39(54)41(56)48-37(27(2)3)43(58)50(7)38(28(4)5)44(59)49(6)36(26-30-18-22-32(53)23-19-30)42(57)51-24-13-15-35(51)40(55)47-34(45(60)61)25-29-16-20-31(52)21-17-29/h16-23,27-28,33-39,52-54H,8-15,24-26,46H2,1-7H3,(H,47,55)(H,48,56)(H,60,61)/t33-,34-,35-,36-,37-,38-,39-/m0/s1
+CH$LINK: PUBCHEM CID:10463277
+CH$LINK: INCHIKEY DTXKFCMLEVLURZ-ZTYVOHGWSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-892
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.312 min
+MS$FOCUSED_ION: BASE_PEAK 853.5069
+MS$FOCUSED_ION: PRECURSOR_M/Z 853.507
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0f9i-6900000000-f563140f8308af1352e6
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  55.0542 C4H7+ 1 55.0542 -0.72
+  69.0699 C5H9+ 1 69.0699 0.78
+  70.0653 C4H8N+ 1 70.0651 3.08
+  72.0808 C4H10N+ 1 72.0808 0.59
+  86.0965 C5H12N+ 1 86.0964 0.46
+  114.0913 C6H12NO+ 1 114.0913 -0.39
+  121.065 C8H9O+ 1 121.0648 1.69
+  128.1434 C8H18N+ 1 128.1434 0.06
+  130.0864 C6H12NO2+ 1 130.0863 1.11
+  132.1019 C6H14NO2+ 1 132.1019 0.26
+  140.1434 C9H18N+ 1 140.1434 0.15
+  150.0913 C9H12NO+ 1 150.0913 -0.22
+  168.1381 C10H18NO+ 1 168.1383 -1.08
+  178.086 C10H12NO2+ 1 178.0863 -1.22
+  196.1332 C11H18NO2+ 1 196.1332 -0.02
+  260.1278 C15H18NO3+ 3 260.1281 -1.37
+  267.2061 C15H27N2O2+ 2 267.2067 -2.18
+  335.2329 C19H31N2O3+ 2 335.2329 -0.07
+PK$NUM_PEAK: 18
+PK$PEAK: m/z int. rel.int.
+  55.0542 752404.2 29
+  69.0699 822161 32
+  70.0653 613276.1 24
+  72.0808 3274344.5 129
+  86.0965 25175974 999
+  114.0913 868890.1 34
+  121.065 733646.9 29
+  128.1434 18154748 720
+  130.0864 1103467.8 43
+  132.1019 1688731 67
+  140.1434 704808.9 27
+  150.0913 14244901 565
+  168.1381 779852.5 30
+  178.086 1276624.8 50
+  196.1332 947690.4 37
+  260.1278 1021888 40
+  267.2061 290219.1 11
+  335.2329 814149.9 32
+//
diff --git a/Eawag/MSBNK-EAWAG-EC224207.txt b/Eawag/MSBNK-EAWAG-EC224207.txt
new file mode 100644
index 0000000000..7128694fa2
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC224207.txt
@@ -0,0 +1,82 @@
+ACCESSION: MSBNK-EAWAG-EC224207
+RECORD_TITLE: Microginin 299C; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.21577/0100-4042.20170640
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2242
+CH$NAME: Microginin 299C
+CH$NAME: (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-3-amino-2-hydroxydecanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C45H68N6O10
+CH$EXACT_MASS: 852.4996924
+CH$SMILES: CCCCCCC[C@@H]([C@@H](C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)[C@@H](CC1=CC=C(C=C1)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)O)O)N
+CH$IUPAC: InChI=1S/C45H68N6O10/c1-8-9-10-11-12-14-33(46)39(54)41(56)48-37(27(2)3)43(58)50(7)38(28(4)5)44(59)49(6)36(26-30-18-22-32(53)23-19-30)42(57)51-24-13-15-35(51)40(55)47-34(45(60)61)25-29-16-20-31(52)21-17-29/h16-23,27-28,33-39,52-54H,8-15,24-26,46H2,1-7H3,(H,47,55)(H,48,56)(H,60,61)/t33-,34-,35-,36-,37-,38-,39-/m0/s1
+CH$LINK: PUBCHEM CID:10463277
+CH$LINK: INCHIKEY DTXKFCMLEVLURZ-ZTYVOHGWSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-892
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.312 min
+MS$FOCUSED_ION: BASE_PEAK 853.5069
+MS$FOCUSED_ION: PRECURSOR_M/Z 853.507
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0f9i-7900000000-d1d488ce607ce8824f8c
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  55.0542 C4H7+ 1 55.0542 0.32
+  69.0699 C5H9+ 1 69.0699 0.23
+  70.0651 C4H8N+ 1 70.0651 -0.84
+  71.073 C4H9N+ 1 71.073 1.18
+  72.0808 C4H10N+ 1 72.0808 0.17
+  86.0964 C5H12N+ 1 86.0964 0.01
+  107.0493 C7H7O+ 1 107.0491 1.88
+  114.0913 C6H12NO+ 1 114.0913 -0.39
+  119.0491 C8H7O+ 1 119.0491 -0.14
+  121.0648 C8H9O+ 1 121.0648 0.24
+  128.1433 C8H18N+ 1 128.1434 -0.54
+  130.0861 C6H12NO2+ 1 130.0863 -1
+  132.1019 C6H14NO2+ 1 132.1019 -0.09
+  135.0679 C8H9NO+ 1 135.0679 0.14
+  140.143 C9H18N+ 1 140.1434 -3.01
+  150.0912 C9H12NO+ 1 150.0913 -0.73
+  158.1539 C9H20NO+ 1 158.1539 -0.23
+  168.1381 C10H18NO+ 1 168.1383 -0.99
+  178.0855 C10H12NO2+ 2 178.0863 -4.05
+  196.1329 C11H18NO2+ 1 196.1332 -1.34
+PK$NUM_PEAK: 20
+PK$PEAK: m/z int. rel.int.
+  55.0542 1329988.1 56
+  69.0699 2055490.4 86
+  70.0651 566775 23
+  71.073 268244.4 11
+  72.0808 3419981 144
+  86.0964 23641452 999
+  107.0493 290545.8 12
+  114.0913 667680.8 28
+  119.0491 275166.8 11
+  121.0648 1217676.8 51
+  128.1433 16367711 691
+  130.0861 1116481.4 47
+  132.1019 827395.6 34
+  135.0679 303917.9 12
+  140.143 442015 18
+  150.0912 12014517 507
+  158.1539 411643.4 17
+  168.1381 677856.6 28
+  178.0855 399272.1 16
+  196.1329 461365.3 19
+//
diff --git a/Eawag/MSBNK-EAWAG-EC224208.txt b/Eawag/MSBNK-EAWAG-EC224208.txt
new file mode 100644
index 0000000000..0ba98c9460
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC224208.txt
@@ -0,0 +1,90 @@
+ACCESSION: MSBNK-EAWAG-EC224208
+RECORD_TITLE: Microginin 299C; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.21577/0100-4042.20170640
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2242
+CH$NAME: Microginin 299C
+CH$NAME: (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-3-amino-2-hydroxydecanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C45H68N6O10
+CH$EXACT_MASS: 852.4996924
+CH$SMILES: CCCCCCC[C@@H]([C@@H](C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)[C@@H](CC1=CC=C(C=C1)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)O)O)N
+CH$IUPAC: InChI=1S/C45H68N6O10/c1-8-9-10-11-12-14-33(46)39(54)41(56)48-37(27(2)3)43(58)50(7)38(28(4)5)44(59)49(6)36(26-30-18-22-32(53)23-19-30)42(57)51-24-13-15-35(51)40(55)47-34(45(60)61)25-29-16-20-31(52)21-17-29/h16-23,27-28,33-39,52-54H,8-15,24-26,46H2,1-7H3,(H,47,55)(H,48,56)(H,60,61)/t33-,34-,35-,36-,37-,38-,39-/m0/s1
+CH$LINK: PUBCHEM CID:10463277
+CH$LINK: INCHIKEY DTXKFCMLEVLURZ-ZTYVOHGWSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-892
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.312 min
+MS$FOCUSED_ION: BASE_PEAK 853.5069
+MS$FOCUSED_ION: PRECURSOR_M/Z 853.507
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-002r-9700000000-7d235d51a55a1470a94c
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  55.0542 C4H7+ 1 55.0542 0.19
+  56.0496 C3H6N+ 1 56.0495 2.35
+  57.07 C4H9+ 1 57.0699 1.74
+  69.0699 C5H9+ 1 69.0699 0.23
+  70.0651 C4H8N+ 1 70.0651 0.03
+  71.0731 C4H9N+ 1 71.073 1.72
+  72.0808 C4H10N+ 1 72.0808 0.17
+  81.0702 C6H9+ 1 81.0699 3.65
+  84.0808 C5H10N+ 1 84.0808 -0.13
+  86.0964 C5H12N+ 1 86.0964 0.01
+  91.0543 C7H7+ 1 91.0542 0.48
+  107.0493 C7H7O+ 1 107.0491 1.6
+  114.0915 C6H12NO+ 1 114.0913 1.42
+  119.0492 C8H7O+ 1 119.0491 0.3
+  121.0648 C8H9O+ 1 121.0648 0.24
+  128.1433 C8H18N+ 1 128.1434 -0.42
+  130.0862 C6H12NO2+ 1 130.0863 -0.65
+  135.0678 C8H9NO+ 1 135.0679 -0.65
+  140.1434 C9H18N+ 1 140.1434 -0.18
+  150.0913 C9H12NO+ 1 150.0913 -0.52
+  158.1542 C9H20NO+ 1 158.1539 1.8
+  168.1385 C10H18NO+ 1 168.1383 1.28
+  178.0856 C10H12NO2+ 2 178.0863 -3.53
+  196.1329 C11H18NO2+ 1 196.1332 -1.34
+PK$NUM_PEAK: 24
+PK$PEAK: m/z int. rel.int.
+  55.0542 2634226.2 128
+  56.0496 281779.7 13
+  57.07 228729.5 11
+  69.0699 3371126 164
+  70.0651 638655.1 31
+  71.0731 636851.2 31
+  72.0808 4008910.2 196
+  81.0702 264306 12
+  84.0808 276288.7 13
+  86.0964 20429906 999
+  91.0543 423056.2 20
+  107.0493 620739.6 30
+  114.0915 862158.8 42
+  119.0492 506324.8 24
+  121.0648 1255907.8 61
+  128.1433 11978942 585
+  130.0862 792877.8 38
+  135.0678 604170.1 29
+  140.1434 270208.4 13
+  150.0913 8204913.5 401
+  158.1542 312564.7 15
+  168.1385 374848 18
+  178.0856 218305.5 10
+  196.1329 241664.4 11
+//
diff --git a/Eawag/MSBNK-EAWAG-EC224209.txt b/Eawag/MSBNK-EAWAG-EC224209.txt
new file mode 100644
index 0000000000..6a42e1dad2
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC224209.txt
@@ -0,0 +1,76 @@
+ACCESSION: MSBNK-EAWAG-EC224209
+RECORD_TITLE: Microginin 299C; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M+H]+; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.21577/0100-4042.20170640
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2242
+CH$NAME: Microginin 299C
+CH$NAME: (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-3-amino-2-hydroxydecanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C45H68N6O10
+CH$EXACT_MASS: 852.4996924
+CH$SMILES: CCCCCCC[C@@H]([C@@H](C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)[C@@H](CC1=CC=C(C=C1)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)O)O)N
+CH$IUPAC: InChI=1S/C45H68N6O10/c1-8-9-10-11-12-14-33(46)39(54)41(56)48-37(27(2)3)43(58)50(7)38(28(4)5)44(59)49(6)36(26-30-18-22-32(53)23-19-30)42(57)51-24-13-15-35(51)40(55)47-34(45(60)61)25-29-16-20-31(52)21-17-29/h16-23,27-28,33-39,52-54H,8-15,24-26,46H2,1-7H3,(H,47,55)(H,48,56)(H,60,61)/t33-,34-,35-,36-,37-,38-,39-/m0/s1
+CH$LINK: PUBCHEM CID:10463277
+CH$LINK: INCHIKEY DTXKFCMLEVLURZ-ZTYVOHGWSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-892
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.312 min
+MS$FOCUSED_ION: BASE_PEAK 853.5069
+MS$FOCUSED_ION: PRECURSOR_M/Z 853.507
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-000i-9400000000-282d12a4baff67548629
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  55.0542 C4H7+ 1 55.0542 -0.02
+  57.0699 C4H9+ 1 57.0699 0.07
+  69.0699 C5H9+ 1 69.0699 0.23
+  70.0652 C4H8N+ 1 70.0651 0.68
+  71.073 C4H9N+ 1 71.073 0.43
+  72.0808 C4H10N+ 1 72.0808 0.38
+  84.0807 C5H10N+ 1 84.0808 -0.31
+  86.0964 C5H12N+ 1 86.0964 -0.16
+  91.0542 C7H7+ 1 91.0542 -0.53
+  107.0491 C7H7O+ 1 107.0491 -0.11
+  114.0912 C6H12NO+ 1 114.0913 -1.26
+  119.0492 C8H7O+ 1 119.0491 0.37
+  121.0648 C8H9O+ 1 121.0648 -0.33
+  128.1433 C8H18N+ 1 128.1434 -0.54
+  130.0859 C6H12NO2+ 1 130.0863 -2.41
+  135.0678 C8H9NO+ 1 135.0679 -0.54
+  150.0912 C9H12NO+ 1 150.0913 -0.73
+PK$NUM_PEAK: 17
+PK$PEAK: m/z int. rel.int.
+  55.0542 3426462.2 195
+  57.0699 255899.9 14
+  69.0699 3699962.8 211
+  70.0652 624715.4 35
+  71.073 997922.4 57
+  72.0808 3810229.5 217
+  84.0807 333379.2 19
+  86.0964 17478940 999
+  91.0542 793146.4 45
+  107.0491 746144.1 42
+  114.0912 482804.4 27
+  119.0492 623486.1 35
+  121.0648 1257036.5 71
+  128.1433 5906937.5 337
+  130.0859 444145.5 25
+  135.0678 1000063.6 57
+  150.0912 5169462 295
+//
diff --git a/Eawag/MSBNK-EAWAG-EC224251.txt b/Eawag/MSBNK-EAWAG-EC224251.txt
new file mode 100644
index 0000000000..6c244b72f1
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC224251.txt
@@ -0,0 +1,44 @@
+ACCESSION: MSBNK-EAWAG-EC224251
+RECORD_TITLE: Microginin 299C; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.21577/0100-4042.20170640
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2242
+CH$NAME: Microginin 299C
+CH$NAME: (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-3-amino-2-hydroxydecanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C45H68N6O10
+CH$EXACT_MASS: 852.4996924
+CH$SMILES: CCCCCCC[C@@H]([C@@H](C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)[C@@H](CC1=CC=C(C=C1)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)O)O)N
+CH$IUPAC: InChI=1S/C45H68N6O10/c1-8-9-10-11-12-14-33(46)39(54)41(56)48-37(27(2)3)43(58)50(7)38(28(4)5)44(59)49(6)36(26-30-18-22-32(53)23-19-30)42(57)51-24-13-15-35(51)40(55)47-34(45(60)61)25-29-16-20-31(52)21-17-29/h16-23,27-28,33-39,52-54H,8-15,24-26,46H2,1-7H3,(H,47,55)(H,48,56)(H,60,61)/t33-,34-,35-,36-,37-,38-,39-/m0/s1
+CH$LINK: PUBCHEM CID:10463277
+CH$LINK: INCHIKEY DTXKFCMLEVLURZ-ZTYVOHGWSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-890
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.299 min
+MS$FOCUSED_ION: BASE_PEAK 851.4927
+MS$FOCUSED_ION: PRECURSOR_M/Z 851.4924
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0udi-0000000090-46262e44702ca24ad944
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  851.4921 C45H67N6O10- 1 851.4924 -0.39
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  851.4921 17468536 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC224252.txt b/Eawag/MSBNK-EAWAG-EC224252.txt
new file mode 100644
index 0000000000..e22592444d
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC224252.txt
@@ -0,0 +1,46 @@
+ACCESSION: MSBNK-EAWAG-EC224252
+RECORD_TITLE: Microginin 299C; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.21577/0100-4042.20170640
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2242
+CH$NAME: Microginin 299C
+CH$NAME: (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-3-amino-2-hydroxydecanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C45H68N6O10
+CH$EXACT_MASS: 852.4996924
+CH$SMILES: CCCCCCC[C@@H]([C@@H](C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)[C@@H](CC1=CC=C(C=C1)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)O)O)N
+CH$IUPAC: InChI=1S/C45H68N6O10/c1-8-9-10-11-12-14-33(46)39(54)41(56)48-37(27(2)3)43(58)50(7)38(28(4)5)44(59)49(6)36(26-30-18-22-32(53)23-19-30)42(57)51-24-13-15-35(51)40(55)47-34(45(60)61)25-29-16-20-31(52)21-17-29/h16-23,27-28,33-39,52-54H,8-15,24-26,46H2,1-7H3,(H,47,55)(H,48,56)(H,60,61)/t33-,34-,35-,36-,37-,38-,39-/m0/s1
+CH$LINK: PUBCHEM CID:10463277
+CH$LINK: INCHIKEY DTXKFCMLEVLURZ-ZTYVOHGWSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-890
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.299 min
+MS$FOCUSED_ION: BASE_PEAK 851.4927
+MS$FOCUSED_ION: PRECURSOR_M/Z 851.4924
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0udi-0000000090-f7e90c9a892c6cef88c3
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  277.1184 C12H15N5O3- 2 277.118 1.23
+  851.4918 C45H67N6O10- 1 851.4924 -0.68
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  277.1184 269670.2 17
+  851.4918 15229374 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC224253.txt b/Eawag/MSBNK-EAWAG-EC224253.txt
new file mode 100644
index 0000000000..bcbf6b6172
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC224253.txt
@@ -0,0 +1,52 @@
+ACCESSION: MSBNK-EAWAG-EC224253
+RECORD_TITLE: Microginin 299C; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.21577/0100-4042.20170640
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2242
+CH$NAME: Microginin 299C
+CH$NAME: (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-3-amino-2-hydroxydecanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C45H68N6O10
+CH$EXACT_MASS: 852.4996924
+CH$SMILES: CCCCCCC[C@@H]([C@@H](C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)[C@@H](CC1=CC=C(C=C1)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)O)O)N
+CH$IUPAC: InChI=1S/C45H68N6O10/c1-8-9-10-11-12-14-33(46)39(54)41(56)48-37(27(2)3)43(58)50(7)38(28(4)5)44(59)49(6)36(26-30-18-22-32(53)23-19-30)42(57)51-24-13-15-35(51)40(55)47-34(45(60)61)25-29-16-20-31(52)21-17-29/h16-23,27-28,33-39,52-54H,8-15,24-26,46H2,1-7H3,(H,47,55)(H,48,56)(H,60,61)/t33-,34-,35-,36-,37-,38-,39-/m0/s1
+CH$LINK: PUBCHEM CID:10463277
+CH$LINK: INCHIKEY DTXKFCMLEVLURZ-ZTYVOHGWSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-890
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.299 min
+MS$FOCUSED_ION: BASE_PEAK 851.4927
+MS$FOCUSED_ION: PRECURSOR_M/Z 851.4924
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0udi-0010000090-ac854b9ebdaa4368b52a
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  277.1186 C12H15N5O3- 2 277.118 1.89
+  379.1656 C20H21N5O3- 2 379.165 1.7
+  423.1553 C21H21N5O5- 3 423.1548 1.23
+  454.1983 C24H28N3O6- 3 454.1984 -0.03
+  851.492 C45H67N6O10- 1 851.4924 -0.53
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  277.1186 1843494 184
+  379.1656 206330 20
+  423.1553 683811.7 68
+  454.1983 209242.5 20
+  851.492 9961085 999
+//
diff --git a/Eawag/MSBNK-EAWAG-EC224254.txt b/Eawag/MSBNK-EAWAG-EC224254.txt
new file mode 100644
index 0000000000..a6f6080648
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC224254.txt
@@ -0,0 +1,72 @@
+ACCESSION: MSBNK-EAWAG-EC224254
+RECORD_TITLE: Microginin 299C; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.21577/0100-4042.20170640
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2242
+CH$NAME: Microginin 299C
+CH$NAME: (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-3-amino-2-hydroxydecanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C45H68N6O10
+CH$EXACT_MASS: 852.4996924
+CH$SMILES: CCCCCCC[C@@H]([C@@H](C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)[C@@H](CC1=CC=C(C=C1)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)O)O)N
+CH$IUPAC: InChI=1S/C45H68N6O10/c1-8-9-10-11-12-14-33(46)39(54)41(56)48-37(27(2)3)43(58)50(7)38(28(4)5)44(59)49(6)36(26-30-18-22-32(53)23-19-30)42(57)51-24-13-15-35(51)40(55)47-34(45(60)61)25-29-16-20-31(52)21-17-29/h16-23,27-28,33-39,52-54H,8-15,24-26,46H2,1-7H3,(H,47,55)(H,48,56)(H,60,61)/t33-,34-,35-,36-,37-,38-,39-/m0/s1
+CH$LINK: PUBCHEM CID:10463277
+CH$LINK: INCHIKEY DTXKFCMLEVLURZ-ZTYVOHGWSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-890
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.299 min
+MS$FOCUSED_ION: BASE_PEAK 851.4927
+MS$FOCUSED_ION: PRECURSOR_M/Z 851.4924
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0fb9-0291200050-c832cc80812151de0efb
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  119.0501 C8H7O- 1 119.0502 -1.43
+  126.0557 C6H8NO2- 1 126.0561 -2.42
+  145.0292 C9H5O2- 1 145.0295 -2.28
+  163.0396 C9H7O3- 1 163.0401 -2.87
+  171.0771 C7H11N2O3- 1 171.0775 -2.39
+  180.0659 C9H10NO3- 2 180.0666 -3.78
+  259.1076 C12H13N5O2- 2 259.1075 0.41
+  273.1244 C13H15N5O2- 2 273.1231 4.78
+  277.1186 C12H15N5O3- 2 277.118 2
+  304.166 C14H20N6O2- 2 304.1653 2.19
+  379.1652 C20H21N5O3- 3 379.165 0.66
+  423.1554 C21H21N5O5- 4 423.1548 1.38
+  427.3279 C21H47O8- 3 427.3276 0.71
+  701.4609 C34H63N5O10- 4 701.458 4.02
+  851.4918 C45H67N6O10- 1 851.4924 -0.68
+PK$NUM_PEAK: 15
+PK$PEAK: m/z int. rel.int.
+  119.0501 553161.2 96
+  126.0557 88252.7 15
+  145.0292 544874.7 95
+  163.0396 78900.7 13
+  171.0771 129898.1 22
+  180.0659 157151.8 27
+  259.1076 105472.2 18
+  273.1244 60806.8 10
+  277.1186 5728784 999
+  304.166 91860.5 16
+  379.1652 734619.7 128
+  423.1554 1325020.8 231
+  427.3279 341030.1 59
+  701.4609 373499.5 65
+  851.4918 3890942.8 678
+//
diff --git a/Eawag/MSBNK-EAWAG-EC224255.txt b/Eawag/MSBNK-EAWAG-EC224255.txt
new file mode 100644
index 0000000000..316265bb9d
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC224255.txt
@@ -0,0 +1,104 @@
+ACCESSION: MSBNK-EAWAG-EC224255
+RECORD_TITLE: Microginin 299C; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.21577/0100-4042.20170640
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2242
+CH$NAME: Microginin 299C
+CH$NAME: (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-3-amino-2-hydroxydecanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C45H68N6O10
+CH$EXACT_MASS: 852.4996924
+CH$SMILES: CCCCCCC[C@@H]([C@@H](C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)[C@@H](CC1=CC=C(C=C1)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)O)O)N
+CH$IUPAC: InChI=1S/C45H68N6O10/c1-8-9-10-11-12-14-33(46)39(54)41(56)48-37(27(2)3)43(58)50(7)38(28(4)5)44(59)49(6)36(26-30-18-22-32(53)23-19-30)42(57)51-24-13-15-35(51)40(55)47-34(45(60)61)25-29-16-20-31(52)21-17-29/h16-23,27-28,33-39,52-54H,8-15,24-26,46H2,1-7H3,(H,47,55)(H,48,56)(H,60,61)/t33-,34-,35-,36-,37-,38-,39-/m0/s1
+CH$LINK: PUBCHEM CID:10463277
+CH$LINK: INCHIKEY DTXKFCMLEVLURZ-ZTYVOHGWSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-890
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.299 min
+MS$FOCUSED_ION: BASE_PEAK 851.4927
+MS$FOCUSED_ION: PRECURSOR_M/Z 851.4924
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-004i-0791000000-8d71320d27327f806da9
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  113.0719 C5H9N2O- 1 113.072 -1.06
+  119.0501 C8H7O- 1 119.0502 -1.3
+  126.0559 C6H8NO2- 1 126.0561 -0.91
+  129.103 C6H13N2O- 1 129.1033 -2.87
+  130.0872 C6H12NO2- 1 130.0874 -1.07
+  139.051 C6H7N2O2- 1 139.0513 -1.89
+  140.0715 C7H10NO2- 1 140.0717 -1.3
+  143.1187 C7H15N2O- 1 143.119 -2
+  145.0292 C9H5O2- 1 145.0295 -2.28
+  153.0667 C7H9N2O2- 1 153.067 -1.91
+  162.0556 C9H8NO2- 1 162.0561 -2.49
+  163.0396 C9H7O3- 1 163.0401 -3.05
+  169.0976 C8H13N2O2- 2 169.0983 -3.57
+  171.0769 C7H11N2O3- 2 171.0775 -3.46
+  180.066 C9H10NO3- 2 180.0666 -3.61
+  183.1136 C9H15N2O2- 1 183.1139 -1.88
+  197.0556 C6H7N5O3- 1 197.0554 0.96
+  211.1446 C11H19N2O2- 2 211.1452 -3.01
+  227.1753 C10H21N5O- 1 227.1752 0.74
+  233.1288 C11H15N5O- 2 233.1282 2.45
+  242.0822 C14H12NO3- 2 242.0823 -0.41
+  259.1081 C12H13N5O2- 2 259.1075 2.3
+  265.1914 C13H23N5O- 2 265.1908 2.23
+  277.1186 C12H15N5O3- 2 277.118 1.89
+  278.122 C8H22O10- 2 278.1218 0.7
+  283.2018 C13H25N5O2- 2 283.2014 1.62
+  304.1659 C14H20N6O2- 2 304.1653 1.89
+  314.2442 C14H30N6O2- 2 314.2436 2.12
+  379.1654 C20H21N5O3- 3 379.165 1.14
+  427.328 C21H47O8- 3 427.3276 0.85
+  454.1979 C24H28N3O6- 4 454.1984 -0.97
+PK$NUM_PEAK: 31
+PK$PEAK: m/z int. rel.int.
+  113.0719 790235.4 102
+  119.0501 2441059.8 318
+  126.0559 295327.4 38
+  129.103 270170.6 35
+  130.0872 80199.7 10
+  139.051 246966.5 32
+  140.0715 115742.2 15
+  143.1187 560989.1 73
+  145.0292 1297774.4 169
+  153.0667 121564.2 15
+  162.0556 82230 10
+  163.0396 423588.8 55
+  169.0976 79624.3 10
+  171.0769 991962.9 129
+  180.066 465742.6 60
+  183.1136 206148.5 26
+  197.0556 106980.3 13
+  211.1446 627823.9 81
+  227.1753 107450.8 14
+  233.1288 1306202 170
+  242.0822 183394.3 23
+  259.1081 233855.2 30
+  265.1914 582706.4 75
+  277.1186 7665113 999
+  278.122 137585.6 17
+  283.2018 162447.3 21
+  304.1659 699293.1 91
+  314.2442 243262.6 31
+  379.1654 388718.2 50
+  427.328 179552.1 23
+  454.1979 159929.5 20
+//
diff --git a/Eawag/MSBNK-EAWAG-EC224256.txt b/Eawag/MSBNK-EAWAG-EC224256.txt
new file mode 100644
index 0000000000..786533da96
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC224256.txt
@@ -0,0 +1,128 @@
+ACCESSION: MSBNK-EAWAG-EC224256
+RECORD_TITLE: Microginin 299C; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.21577/0100-4042.20170640
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2242
+CH$NAME: Microginin 299C
+CH$NAME: (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-3-amino-2-hydroxydecanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C45H68N6O10
+CH$EXACT_MASS: 852.4996924
+CH$SMILES: CCCCCCC[C@@H]([C@@H](C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)[C@@H](CC1=CC=C(C=C1)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)O)O)N
+CH$IUPAC: InChI=1S/C45H68N6O10/c1-8-9-10-11-12-14-33(46)39(54)41(56)48-37(27(2)3)43(58)50(7)38(28(4)5)44(59)49(6)36(26-30-18-22-32(53)23-19-30)42(57)51-24-13-15-35(51)40(55)47-34(45(60)61)25-29-16-20-31(52)21-17-29/h16-23,27-28,33-39,52-54H,8-15,24-26,46H2,1-7H3,(H,47,55)(H,48,56)(H,60,61)/t33-,34-,35-,36-,37-,38-,39-/m0/s1
+CH$LINK: PUBCHEM CID:10463277
+CH$LINK: INCHIKEY DTXKFCMLEVLURZ-ZTYVOHGWSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-890
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.299 min
+MS$FOCUSED_ION: BASE_PEAK 851.4927
+MS$FOCUSED_ION: PRECURSOR_M/Z 851.4924
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-02e9-0940000000-3a8fd6c524303e3851f1
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  58.0298 C2H4NO- 1 58.0298 -0.47
+  66.0348 C4H4N- 1 66.0349 -1.75
+  74.0247 C2H4NO2- 1 74.0248 -0.06
+  82.0661 C5H8N- 1 82.0662 -1.99
+  87.0561 C3H7N2O- 1 87.0564 -3.24
+  88.0403 C3H6NO2- 1 88.0404 -0.8
+  93.0345 C6H5O- 1 93.0346 -0.73
+  107.0501 C7H7O- 1 107.0502 -1.27
+  110.0611 C6H8NO- 1 110.0611 -0.73
+  112.0767 C6H10NO- 1 112.0768 -0.96
+  113.0719 C5H9N2O- 1 113.072 -0.79
+  114.0921 C6H12NO- 1 114.0924 -3.21
+  119.0501 C8H7O- 1 119.0502 -0.91
+  125.0716 C6H9N2O- 1 125.072 -3.56
+  126.0558 C6H8NO2- 1 126.0561 -1.81
+  127.0875 C6H11N2O- 1 127.0877 -1.34
+  129.1032 C6H13N2O- 1 129.1033 -1.21
+  130.0874 C6H12NO2- 1 130.0874 0.1
+  136.0763 C8H10NO- 1 136.0768 -3.53
+  138.0557 C7H8NO2- 1 138.0561 -2.86
+  139.0511 C6H7N2O2- 1 139.0513 -1.23
+  139.0874 C7H11N2O- 1 139.0877 -2.28
+  140.0714 C7H10NO2- 1 140.0717 -2.39
+  143.1187 C7H15N2O- 1 143.119 -1.89
+  145.0293 C9H5O2- 1 145.0295 -1.54
+  152.1438 C10H18N- 1 152.1445 -4.11
+  153.0665 C7H9N2O2- 1 153.067 -2.71
+  154.0739 C5H8N5O- 1 154.0734 3.29
+  155.082 C7H11N2O2- 2 155.0826 -3.68
+  163.0394 C9H7O3- 2 163.0401 -4.27
+  168.0898 C8H12N2O2- 2 168.0904 -3.73
+  169.0979 C8H13N2O2- 1 169.0983 -2.13
+  171.077 C7H11N2O3- 2 171.0775 -3.19
+  180.0661 C9H10NO3- 2 180.0666 -2.85
+  198.1245 C9H16N3O2- 1 198.1248 -1.27
+  211.1446 C11H19N2O2- 2 211.1452 -2.79
+  214.0865 C13H12NO2- 2 214.0874 -4.04
+  233.1289 C11H15N5O- 2 233.1282 2.85
+  234.1312 C7H22O8- 2 234.132 -3.59
+  242.1865 C10H22N6O- 2 242.1861 1.67
+  265.1913 C13H23N5O- 2 265.1908 2
+  277.1187 C12H15N5O3- 2 277.118 2.33
+  304.1662 C16H22N3O3- 2 304.1667 -1.43
+PK$NUM_PEAK: 43
+PK$PEAK: m/z int. rel.int.
+  58.0298 71014.2 23
+  66.0348 68942 22
+  74.0247 80048.6 25
+  82.0661 57758.9 18
+  87.0561 44428 14
+  88.0403 73368.9 23
+  93.0345 205772.8 66
+  107.0501 147317.5 47
+  110.0611 48845.7 15
+  112.0767 61496.3 19
+  113.0719 2537480.2 822
+  114.0921 44994.4 14
+  119.0501 3081216.5 999
+  125.0716 48316 15
+  126.0558 230701.8 74
+  127.0875 214294.8 69
+  129.1032 697356.5 226
+  130.0874 93916.9 30
+  136.0763 86656.7 28
+  138.0557 92099.6 29
+  139.0511 273175.9 88
+  139.0874 90347.7 29
+  140.0714 142636.6 46
+  143.1187 903254.4 292
+  145.0293 1218624.5 395
+  152.1438 189148.3 61
+  153.0665 221632.1 71
+  154.0739 80048.4 25
+  155.082 70639.3 22
+  163.0394 528168.6 171
+  168.0898 230464.6 74
+  169.0979 115856.4 37
+  171.077 1359516.9 440
+  180.0661 546093.9 177
+  198.1245 103326.9 33
+  211.1446 536216.8 173
+  214.0865 42013.1 13
+  233.1289 2912924 944
+  234.1312 38221.7 12
+  242.1865 444574.9 144
+  265.1913 373744.1 121
+  277.1187 3037476.5 984
+  304.1662 353821 114
+//
diff --git a/Eawag/MSBNK-EAWAG-EC224257.txt b/Eawag/MSBNK-EAWAG-EC224257.txt
new file mode 100644
index 0000000000..3aeee2acdf
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC224257.txt
@@ -0,0 +1,152 @@
+ACCESSION: MSBNK-EAWAG-EC224257
+RECORD_TITLE: Microginin 299C; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.21577/0100-4042.20170640
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2242
+CH$NAME: Microginin 299C
+CH$NAME: (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-3-amino-2-hydroxydecanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C45H68N6O10
+CH$EXACT_MASS: 852.4996924
+CH$SMILES: CCCCCCC[C@@H]([C@@H](C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)[C@@H](CC1=CC=C(C=C1)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)O)O)N
+CH$IUPAC: InChI=1S/C45H68N6O10/c1-8-9-10-11-12-14-33(46)39(54)41(56)48-37(27(2)3)43(58)50(7)38(28(4)5)44(59)49(6)36(26-30-18-22-32(53)23-19-30)42(57)51-24-13-15-35(51)40(55)47-34(45(60)61)25-29-16-20-31(52)21-17-29/h16-23,27-28,33-39,52-54H,8-15,24-26,46H2,1-7H3,(H,47,55)(H,48,56)(H,60,61)/t33-,34-,35-,36-,37-,38-,39-/m0/s1
+CH$LINK: PUBCHEM CID:10463277
+CH$LINK: INCHIKEY DTXKFCMLEVLURZ-ZTYVOHGWSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-890
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.299 min
+MS$FOCUSED_ION: BASE_PEAK 851.4927
+MS$FOCUSED_ION: PRECURSOR_M/Z 851.4924
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-02u0-0920000000-ce990bee3228dff9e8f2
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  58.0298 C2H4NO- 1 58.0298 0.06
+  66.0348 C4H4N- 1 66.0349 -2.21
+  68.0504 C4H6N- 1 68.0506 -2.99
+  72.0091 C2H2NO2- 1 72.0091 -0.09
+  74.0247 C2H4NO2- 1 74.0248 -0.06
+  82.0662 C5H8N- 1 82.0662 -0.87
+  85.0408 C3H5N2O- 1 85.0407 0.2
+  87.0564 C3H7N2O- 1 87.0564 -0.35
+  88.0403 C3H6NO2- 1 88.0404 -1.14
+  93.0344 C6H5O- 1 93.0346 -1.72
+  98.061 C5H8NO- 1 98.0611 -1.51
+  99.056 C4H7N2O- 1 99.0564 -3.83
+  106.0423 C7H6O- 1 106.0424 -1.3
+  107.0502 C7H7O- 1 107.0502 0.08
+  110.0613 C6H8NO- 1 110.0611 1.35
+  111.0564 C5H7N2O- 1 111.0564 0.07
+  112.0764 C6H10NO- 1 112.0768 -3.14
+  113.0719 C5H9N2O- 1 113.072 -0.86
+  117.0345 C8H5O- 1 117.0346 -0.9
+  119.0501 C8H7O- 1 119.0502 -1.04
+  124.0401 C6H6NO2- 1 124.0404 -2.54
+  125.0359 C5H5N2O2- 1 125.0357 1.88
+  125.0717 C6H9N2O- 1 125.072 -2.34
+  126.0559 C6H8NO2- 1 126.0561 -0.91
+  126.0924 C7H12NO- 1 126.0924 -0.01
+  127.0876 C6H11N2O- 1 127.0877 -1.04
+  129.1032 C6H13N2O- 1 129.1033 -1.09
+  130.0875 C6H12NO2- 1 130.0874 0.8
+  134.0608 C8H8NO- 1 134.0611 -2.26
+  136.0769 C8H10NO- 1 136.0768 0.73
+  138.0559 C7H8NO2- 1 138.0561 -1.09
+  139.0512 C6H7N2O2- 1 139.0513 -1.01
+  139.0875 C7H11N2O- 1 139.0877 -1.19
+  140.0714 C7H10NO2- 1 140.0717 -1.96
+  141.1031 C7H13N2O- 1 141.1033 -1.82
+  143.1188 C7H15N2O- 1 143.119 -1.57
+  145.0293 C9H5O2- 1 145.0295 -1.65
+  152.0586 C7H8N2O2- 1 152.0591 -3.57
+  152.1441 C10H18N- 1 152.1445 -2.7
+  153.0668 C7H9N2O2- 1 153.067 -1.12
+  155.0818 C7H11N2O2- 2 155.0826 -4.96
+  162.0556 C9H8NO2- 1 162.0561 -2.68
+  163.0396 C9H7O3- 1 163.0401 -2.96
+  167.082 C8H11N2O2- 2 167.0826 -3.62
+  168.0899 C8H12N2O2- 1 168.0904 -2.91
+  169.0977 C8H13N2O2- 2 169.0983 -3.21
+  171.0769 C7H11N2O3- 2 171.0775 -3.64
+  180.066 C9H10NO3- 2 180.0666 -3.7
+  183.1131 C9H15N2O2- 2 183.1139 -4.13
+  211.1441 C9H17N5O- 1 211.1439 1.26
+  216.1025 C13H14NO2- 2 216.103 -2.38
+  231.1139 C13H15N2O2- 1 231.1139 -0.11
+  233.1289 C11H15N5O- 2 233.1282 2.78
+  242.1866 C10H22N6O- 2 242.1861 2.04
+  277.1185 C12H15N5O3- 2 277.118 1.56
+PK$NUM_PEAK: 55
+PK$PEAK: m/z int. rel.int.
+  58.0298 171410.6 52
+  66.0348 126006.7 38
+  68.0504 49590.2 15
+  72.0091 51099.7 15
+  74.0247 97062.6 29
+  82.0662 32962.2 10
+  85.0408 65373.3 20
+  87.0564 60928.8 18
+  88.0403 74408.9 22
+  93.0344 195277 60
+  98.061 53461.4 16
+  99.056 45270.8 13
+  106.0423 72115.5 22
+  107.0502 165297.7 50
+  110.0613 47866 14
+  111.0564 41890 12
+  112.0764 53278.4 16
+  113.0719 3238744.2 999
+  117.0345 127687.9 39
+  119.0501 2956726.2 912
+  124.0401 42071.3 12
+  125.0359 86020.6 26
+  125.0717 62786.3 19
+  126.0559 85088.5 26
+  126.0924 55114.9 17
+  127.0876 313387 96
+  129.1032 771077.1 237
+  130.0875 66171.2 20
+  134.0608 147379.6 45
+  136.0769 76640.5 23
+  138.0559 70363.6 21
+  139.0512 233126.8 71
+  139.0875 102619.4 31
+  140.0714 96214.3 29
+  141.1031 47172.2 14
+  143.1188 742472.9 229
+  145.0293 994162.6 306
+  152.0586 64784.5 19
+  152.1441 218390 67
+  153.0668 175971 54
+  155.0818 79937 24
+  162.0556 47427.1 14
+  163.0396 323395.3 99
+  167.082 80500.9 24
+  168.0899 325613.7 100
+  169.0977 54989.3 16
+  171.0769 812879.1 250
+  180.066 346659 106
+  183.1131 92656 28
+  211.1441 209812.7 64
+  216.1025 59655.5 18
+  231.1139 53136.1 16
+  233.1289 2050153 632
+  242.1866 137373.2 42
+  277.1185 479670.9 147
+//
diff --git a/Eawag/MSBNK-EAWAG-EC224258.txt b/Eawag/MSBNK-EAWAG-EC224258.txt
new file mode 100644
index 0000000000..06debc3fad
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC224258.txt
@@ -0,0 +1,130 @@
+ACCESSION: MSBNK-EAWAG-EC224258
+RECORD_TITLE: Microginin 299C; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.21577/0100-4042.20170640
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2242
+CH$NAME: Microginin 299C
+CH$NAME: (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-3-amino-2-hydroxydecanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C45H68N6O10
+CH$EXACT_MASS: 852.4996924
+CH$SMILES: CCCCCCC[C@@H]([C@@H](C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)[C@@H](CC1=CC=C(C=C1)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)O)O)N
+CH$IUPAC: InChI=1S/C45H68N6O10/c1-8-9-10-11-12-14-33(46)39(54)41(56)48-37(27(2)3)43(58)50(7)38(28(4)5)44(59)49(6)36(26-30-18-22-32(53)23-19-30)42(57)51-24-13-15-35(51)40(55)47-34(45(60)61)25-29-16-20-31(52)21-17-29/h16-23,27-28,33-39,52-54H,8-15,24-26,46H2,1-7H3,(H,47,55)(H,48,56)(H,60,61)/t33-,34-,35-,36-,37-,38-,39-/m0/s1
+CH$LINK: PUBCHEM CID:10463277
+CH$LINK: INCHIKEY DTXKFCMLEVLURZ-ZTYVOHGWSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-890
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.299 min
+MS$FOCUSED_ION: BASE_PEAK 851.4927
+MS$FOCUSED_ION: PRECURSOR_M/Z 851.4924
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03xr-0900000000-15fe3fef12ba848adf12
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  58.0298 C2H4NO- 1 58.0298 -0.53
+  66.035 C4H4N- 1 66.0349 0.68
+  68.0505 C4H6N- 1 68.0506 -0.75
+  72.0091 C2H2NO2- 1 72.0091 -0.41
+  74.0248 C2H4NO2- 1 74.0248 1.07
+  82.0663 C5H8N- 1 82.0662 0.62
+  85.0408 C3H5N2O- 1 85.0407 0.38
+  87.0564 C3H7N2O- 1 87.0564 -0.26
+  93.0345 C6H5O- 1 93.0346 -0.81
+  98.0611 C5H8NO- 1 98.0611 0.05
+  99.0563 C4H7N2O- 1 99.0564 -0.75
+  107.0503 C7H7O- 1 107.0502 0.22
+  110.061 C6H8NO- 1 110.0611 -1.08
+  111.0565 C5H7N2O- 1 111.0564 0.97
+  112.0279 C4H4N2O2- 1 112.0278 0.64
+  112.0767 C6H10NO- 1 112.0768 -1.1
+  113.072 C5H9N2O- 1 113.072 -0.59
+  117.0345 C8H5O- 1 117.0346 -1.16
+  119.0502 C8H7O- 1 119.0502 -0.66
+  125.0356 C5H5N2O2- 1 125.0357 -0.44
+  126.056 C6H8NO2- 1 126.0561 -0.48
+  127.0874 C6H11N2O- 1 127.0877 -2.06
+  129.1032 C6H13N2O- 1 129.1033 -0.74
+  130.0871 C6H12NO2- 1 130.0874 -2.25
+  134.061 C8H8NO- 1 134.0611 -0.89
+  136.0767 C8H10NO- 1 136.0768 -0.39
+  138.0557 C7H8NO2- 1 138.0561 -2.86
+  139.0512 C6H7N2O2- 1 139.0513 -1.01
+  139.0878 C7H11N2O- 1 139.0877 1.12
+  141.1029 C7H13N2O- 1 141.1033 -3.44
+  143.1188 C7H15N2O- 1 143.119 -1.36
+  145.0292 C9H5O2- 1 145.0295 -1.86
+  152.0587 C7H8N2O2- 1 152.0591 -2.77
+  152.144 C10H18N- 1 152.1445 -3.2
+  153.0667 C7H9N2O2- 1 153.067 -1.71
+  154.0741 C5H8N5O- 2 154.0734 4.08
+  154.0877 C8H12NO2- 1 154.0874 2.28
+  163.0392 C7H5N3O2- 1 163.0387 3.12
+  167.0822 C8H11N2O2- 1 167.0826 -2.62
+  168.0899 C8H12N2O2- 2 168.0904 -3
+  169.0978 C8H13N2O2- 1 169.0983 -2.67
+  171.0771 C7H11N2O3- 1 171.0775 -2.39
+  180.0664 C9H10NO3- 1 180.0666 -1.32
+  233.1289 C11H15N5O- 2 233.1282 3.17
+PK$NUM_PEAK: 44
+PK$PEAK: m/z int. rel.int.
+  58.0298 184521.6 54
+  66.035 158723.9 46
+  68.0505 60117.3 17
+  72.0091 66442.9 19
+  74.0248 104073.2 30
+  82.0663 41240.4 12
+  85.0408 152177.3 44
+  87.0564 74281.5 21
+  93.0345 253174 74
+  98.0611 88144.5 25
+  99.0563 51946.2 15
+  107.0503 176142.5 51
+  110.061 41422.1 12
+  111.0565 84973.8 24
+  112.0279 48362.6 14
+  112.0767 47016.6 13
+  113.072 3407501.2 999
+  117.0345 279879 82
+  119.0502 2795045 819
+  125.0356 184849.8 54
+  126.056 34885.5 10
+  127.0874 276066.9 80
+  129.1032 693512.7 203
+  130.0871 41235.8 12
+  134.061 164545.2 48
+  136.0767 74916.8 21
+  138.0557 79656 23
+  139.0512 237227.6 69
+  139.0878 63942.6 18
+  141.1029 42973.9 12
+  143.1188 444261.6 130
+  145.0292 812743.4 238
+  152.0587 82621.5 24
+  152.144 179966.1 52
+  153.0667 153731 45
+  154.0741 63071.7 18
+  154.0877 56022.8 16
+  163.0392 215345.7 63
+  167.0822 58314.8 17
+  168.0899 255251.4 74
+  169.0978 46621.4 13
+  171.0771 294628.4 86
+  180.0664 174556 51
+  233.1289 894343.9 262
+//
diff --git a/Eawag/MSBNK-EAWAG-EC224259.txt b/Eawag/MSBNK-EAWAG-EC224259.txt
new file mode 100644
index 0000000000..8430999a45
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-EC224259.txt
@@ -0,0 +1,118 @@
+ACCESSION: MSBNK-EAWAG-EC224259
+RECORD_TITLE: Microginin 299C; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M-H]-; First mass: 40
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.21577/0100-4042.20170640
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2242
+CH$NAME: Microginin 299C
+CH$NAME: (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-3-amino-2-hydroxydecanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C45H68N6O10
+CH$EXACT_MASS: 852.4996924
+CH$SMILES: CCCCCCC[C@@H]([C@@H](C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)[C@@H](CC1=CC=C(C=C1)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)O)O)N
+CH$IUPAC: InChI=1S/C45H68N6O10/c1-8-9-10-11-12-14-33(46)39(54)41(56)48-37(27(2)3)43(58)50(7)38(28(4)5)44(59)49(6)36(26-30-18-22-32(53)23-19-30)42(57)51-24-13-15-35(51)40(55)47-34(45(60)61)25-29-16-20-31(52)21-17-29/h16-23,27-28,33-39,52-54H,8-15,24-26,46H2,1-7H3,(H,47,55)(H,48,56)(H,60,61)/t33-,34-,35-,36-,37-,38-,39-/m0/s1
+CH$LINK: PUBCHEM CID:10463277
+CH$LINK: INCHIKEY DTXKFCMLEVLURZ-ZTYVOHGWSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 40-890
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.299 min
+MS$FOCUSED_ION: BASE_PEAK 851.4927
+MS$FOCUSED_ION: PRECURSOR_M/Z 851.4924
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-02t9-1900000000-f2801f3299618a428006
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  58.0298 C2H4NO- 1 58.0298 -0.14
+  66.035 C4H4N- 1 66.0349 0.56
+  68.0505 C4H6N- 1 68.0506 -0.86
+  72.009 C2H2NO2- 1 72.0091 -1.04
+  74.0247 C2H4NO2- 1 74.0248 -0.37
+  85.0407 C3H5N2O- 1 85.0407 0.11
+  87.0563 C3H7N2O- 1 87.0564 -1.49
+  93.0344 C6H5O- 1 93.0346 -1.72
+  96.0456 C5H6NO- 1 96.0455 0.91
+  98.0611 C5H8NO- 1 98.0611 -0.65
+  99.0563 C4H7N2O- 1 99.0564 -1.29
+  106.0425 C7H6O- 1 106.0424 0.78
+  107.0501 C7H7O- 1 107.0502 -1.27
+  111.0563 C5H7N2O- 1 111.0564 -0.82
+  112.0277 C4H4N2O2- 1 112.0278 -1.27
+  113.072 C5H9N2O- 1 113.072 -0.66
+  114.0923 C6H12NO- 1 114.0924 -0.94
+  117.0345 C8H5O- 1 117.0346 -0.64
+  119.0501 C8H7O- 1 119.0502 -0.91
+  124.0405 C6H6NO2- 1 124.0404 0.78
+  125.0355 C5H5N2O2- 1 125.0357 -1.05
+  127.0879 C6H11N2O- 1 127.0877 1.36
+  129.1032 C6H13N2O- 1 129.1033 -0.86
+  133.0532 C8H7NO- 1 133.0533 -1.1
+  136.0768 C8H10NO- 1 136.0768 -0.17
+  138.0558 C7H8NO2- 1 138.0561 -1.97
+  139.0511 C6H7N2O2- 1 139.0513 -1.34
+  140.0712 C7H10NO2- 1 140.0717 -3.59
+  143.1188 C7H15N2O- 1 143.119 -1.15
+  145.0292 C9H5O2- 1 145.0295 -2.38
+  152.0587 C7H8N2O2- 1 152.0591 -2.77
+  152.1439 C10H18N- 1 152.1445 -3.81
+  153.0666 C7H9N2O2- 1 153.067 -2.11
+  154.0877 C8H12NO2- 1 154.0874 2.18
+  168.09 C8H12N2O2- 1 168.0904 -2.73
+  171.0773 C7H11N2O3- 1 171.0775 -1.05
+  180.066 C9H10NO3- 2 180.0666 -3.36
+  233.1287 C11H15N5O- 2 233.1282 2.13
+PK$NUM_PEAK: 38
+PK$PEAK: m/z int. rel.int.
+  58.0298 142754.9 64
+  66.035 157298.3 71
+  68.0505 36485.3 16
+  72.009 62076.6 28
+  74.0247 77885.7 35
+  85.0407 167891.8 76
+  87.0563 63050.6 28
+  93.0344 247081.4 112
+  96.0456 30124.9 13
+  98.0611 44625.5 20
+  99.0563 60853.7 27
+  106.0425 61448.8 27
+  107.0501 110910.4 50
+  111.0563 71523.7 32
+  112.0277 39993.7 18
+  113.072 2052799.1 933
+  114.0923 24454.9 11
+  117.0345 402261.9 182
+  119.0501 2196680.8 999
+  124.0405 60788.2 27
+  125.0355 198000 90
+  127.0879 136070.3 61
+  129.1032 326149.8 148
+  133.0532 58401.2 26
+  136.0768 54862.5 24
+  138.0558 52460.8 23
+  139.0511 206385.1 93
+  140.0712 33248.4 15
+  143.1188 190693.7 86
+  145.0292 452686.7 205
+  152.0587 34921.5 15
+  152.1439 102067.9 46
+  153.0666 98077.9 44
+  154.0877 25131.5 11
+  168.09 102319.3 46
+  171.0773 60958.9 27
+  180.066 53861.2 24
+  233.1287 194848.9 88
+//
diff --git a/Eawag/MSBNK-EAWAG-ED001501.txt b/Eawag/MSBNK-EAWAG-ED001501.txt
new file mode 100644
index 0000000000..56990d6f1b
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED001501.txt
@@ -0,0 +1,80 @@
+ACCESSION: MSBNK-EAWAG-ED001501
+RECORD_TITLE: Nocuolin A; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1371/journal.pone.0172850 ;10.1002/ange.202015105; 10.1002/anie.202015105
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 15
+CH$NAME: Nocuolin A
+CH$NAME: 1-(4,6-dipentyl-5,6-dihydro-2H-1,2,3-oxadiazin-2-yl)-3-hydroxypropan-1-one
+CH$NAME: 1-(4,6-dipentyl-5,6-dihydrooxadiazin-2-yl)-3-hydroxypropan-1-one
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C16H30N2O3
+CH$EXACT_MASS: 298.2256428
+CH$SMILES: CCCCCC1CC(CCCCC)=NN(C(CCO)=O)O1
+CH$IUPAC: InChI=1S/C16H30N2O3/c1-3-5-7-9-14-13-15(10-8-6-4-2)21-18(17-14)16(20)11-12-19/h15,19H,3-13H2,1-2H3
+CH$LINK: PUBCHEM CID:129017397
+CH$LINK: INCHIKEY MPGIDXBHXRMMSY-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 111054822
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-326
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 11.924 min
+MS$FOCUSED_ION: BASE_PEAK 299.2319
+MS$FOCUSED_ION: PRECURSOR_M/Z 299.2329
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0002-6390000000-14e60f664834fa69f614
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  55.0542 C4H7+ 1 55.0542 -1.34
+  57.0698 C4H9+ 1 57.0699 -0.79
+  69.0698 C5H9+ 1 69.0699 -0.44
+  71.0854 C5H11+ 1 71.0855 -2.43
+  73.0283 C3H5O2+ 1 73.0284 -0.95
+  83.0855 C6H11+ 1 83.0855 -0.52
+  97.0648 C6H9O+ 1 97.0648 -0.01
+  97.1011 C7H13+ 1 97.1012 -1.04
+  99.0805 C6H11O+ 1 99.0804 0.56
+  110.0962 C7H12N+ 1 110.0964 -2.35
+  111.1167 C8H15+ 1 111.1168 -0.98
+  115.0752 C6H11O2+ 1 115.0754 -1.71
+  127.1227 C7H15N2+ 1 127.123 -1.91
+  153.1272 C10H17O+ 1 153.1274 -1.11
+  199.1434 C10H19N2O2+ 1 199.1441 -3.31
+  227.2108 C13H27N2O+ 1 227.2118 -4.56
+  235.205 C16H27O+ 1 235.2056 -2.78
+  299.232 C16H31N2O3+ 1 299.2329 -2.93
+PK$NUM_PEAK: 18
+PK$PEAK: m/z int. rel.int.
+  55.0542 27478544 67
+  57.0698 18736306 45
+  69.0698 84416320 205
+  71.0854 10278886 25
+  73.0283 66156176 161
+  83.0855 61021808 148
+  97.0648 8791935 21
+  97.1011 42132528 102
+  99.0805 15568978 37
+  110.0962 16819284 41
+  111.1167 20308848 49
+  115.0752 10432345 25
+  127.1227 40592648 99
+  153.1272 4158286 10
+  199.1434 68775520 167
+  227.2108 30975988 75
+  235.205 10108572 24
+  299.232 409431936 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED001502.txt b/Eawag/MSBNK-EAWAG-ED001502.txt
new file mode 100644
index 0000000000..7b31f9c2de
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED001502.txt
@@ -0,0 +1,80 @@
+ACCESSION: MSBNK-EAWAG-ED001502
+RECORD_TITLE: Nocuolin A; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1371/journal.pone.0172850 ;10.1002/ange.202015105; 10.1002/anie.202015105
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 15
+CH$NAME: Nocuolin A
+CH$NAME: 1-(4,6-dipentyl-5,6-dihydro-2H-1,2,3-oxadiazin-2-yl)-3-hydroxypropan-1-one
+CH$NAME: 1-(4,6-dipentyl-5,6-dihydrooxadiazin-2-yl)-3-hydroxypropan-1-one
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C16H30N2O3
+CH$EXACT_MASS: 298.2256428
+CH$SMILES: CCCCCC1CC(CCCCC)=NN(C(CCO)=O)O1
+CH$IUPAC: InChI=1S/C16H30N2O3/c1-3-5-7-9-14-13-15(10-8-6-4-2)21-18(17-14)16(20)11-12-19/h15,19H,3-13H2,1-2H3
+CH$LINK: PUBCHEM CID:129017397
+CH$LINK: INCHIKEY MPGIDXBHXRMMSY-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 111054822
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-326
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 11.924 min
+MS$FOCUSED_ION: BASE_PEAK 299.2319
+MS$FOCUSED_ION: PRECURSOR_M/Z 299.2329
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0002-9550000000-ccfd2c22f0b1e243dfbd
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  55.0542 C4H7+ 1 55.0542 -0.57
+  57.0698 C4H9+ 1 57.0699 -0.59
+  69.0698 C5H9+ 1 69.0699 -0.55
+  71.0856 C5H11+ 1 71.0855 1
+  73.0284 C3H5O2+ 1 73.0284 -0.22
+  82.0651 C5H8N+ 1 82.0651 -0.56
+  83.0854 C6H11+ 1 83.0855 -0.98
+  97.0646 C6H9O+ 1 97.0648 -2.21
+  97.1011 C7H13+ 1 97.1012 -0.96
+  99.0803 C6H11O+ 1 99.0804 -0.98
+  110.0962 C7H12N+ 1 110.0964 -1.66
+  111.1166 C8H15+ 1 111.1168 -2.35
+  127.1228 C7H15N2+ 1 127.123 -1.37
+  129.0657 C5H9N2O2+ 1 129.0659 -1.07
+  181.1335 C10H17N2O+ 1 181.1335 -0.07
+  199.1436 C10H19N2O2+ 1 199.1441 -2.55
+  227.2112 C13H27N2O+ 1 227.2118 -2.55
+  299.232 C16H31N2O3+ 1 299.2329 -2.93
+PK$NUM_PEAK: 18
+PK$PEAK: m/z int. rel.int.
+  55.0542 39194960 187
+  57.0698 24179938 115
+  69.0698 97205600 465
+  71.0856 11900106 56
+  73.0284 86451152 413
+  82.0651 8003002.5 38
+  83.0854 75514904 361
+  97.0646 8896253 42
+  97.1011 39409704 188
+  99.0803 16733426 80
+  110.0962 39445172 188
+  111.1166 10175105 48
+  127.1228 86545048 414
+  129.0657 14582562 69
+  181.1335 15816831 75
+  199.1436 91658832 438
+  227.2112 30362594 145
+  299.232 208693744 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED001503.txt b/Eawag/MSBNK-EAWAG-ED001503.txt
new file mode 100644
index 0000000000..64f17068e3
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED001503.txt
@@ -0,0 +1,78 @@
+ACCESSION: MSBNK-EAWAG-ED001503
+RECORD_TITLE: Nocuolin A; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1371/journal.pone.0172850 ;10.1002/ange.202015105; 10.1002/anie.202015105
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 15
+CH$NAME: Nocuolin A
+CH$NAME: 1-(4,6-dipentyl-5,6-dihydro-2H-1,2,3-oxadiazin-2-yl)-3-hydroxypropan-1-one
+CH$NAME: 1-(4,6-dipentyl-5,6-dihydrooxadiazin-2-yl)-3-hydroxypropan-1-one
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C16H30N2O3
+CH$EXACT_MASS: 298.2256428
+CH$SMILES: CCCCCC1CC(CCCCC)=NN(C(CCO)=O)O1
+CH$IUPAC: InChI=1S/C16H30N2O3/c1-3-5-7-9-14-13-15(10-8-6-4-2)21-18(17-14)16(20)11-12-19/h15,19H,3-13H2,1-2H3
+CH$LINK: PUBCHEM CID:129017397
+CH$LINK: INCHIKEY MPGIDXBHXRMMSY-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 111054822
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-326
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 11.924 min
+MS$FOCUSED_ION: BASE_PEAK 299.2319
+MS$FOCUSED_ION: PRECURSOR_M/Z 299.2329
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00mk-9610000000-68e4763016d9766485dd
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  55.0179 C3H3O+ 1 55.0178 1.45
+  55.0542 C4H7+ 1 55.0542 -0.09
+  57.0699 C4H9+ 1 57.0699 0.95
+  69.0699 C5H9+ 1 69.0699 -0.33
+  71.0855 C5H11+ 1 71.0855 -0.82
+  73.0284 C3H5O2+ 1 73.0284 0.09
+  82.0652 C5H8N+ 1 82.0651 0.65
+  83.0855 C6H11+ 1 83.0855 -0.16
+  97.1013 C7H13+ 1 97.1012 1.08
+  99.0805 C6H11O+ 1 99.0804 0.33
+  110.0963 C7H12N+ 1 110.0964 -1.38
+  111.1167 C8H15+ 1 111.1168 -0.84
+  127.1228 C7H15N2+ 1 127.123 -1.07
+  129.0658 C5H9N2O2+ 1 129.0659 -0.71
+  199.1437 C10H19N2O2+ 1 199.1441 -1.86
+  209.2007 C13H25N2+ 1 209.2012 -2.52
+  299.232 C16H31N2O3+ 1 299.2329 -3.03
+PK$NUM_PEAK: 17
+PK$PEAK: m/z int. rel.int.
+  55.0179 7663014.5 61
+  55.0542 59848068 477
+  57.0699 28017744 223
+  69.0699 110893408 885
+  71.0855 15889393 126
+  73.0284 84222520 672
+  82.0652 12902759 102
+  83.0855 62166324 496
+  97.1013 29379904 234
+  99.0805 18899342 150
+  110.0963 59885720 477
+  111.1167 5142899.5 41
+  127.1228 125177848 999
+  129.0658 20926772 167
+  199.1437 80087896 639
+  209.2007 10907468 87
+  299.232 68398088 545
+//
diff --git a/Eawag/MSBNK-EAWAG-ED001504.txt b/Eawag/MSBNK-EAWAG-ED001504.txt
new file mode 100644
index 0000000000..af7b6f4b46
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED001504.txt
@@ -0,0 +1,78 @@
+ACCESSION: MSBNK-EAWAG-ED001504
+RECORD_TITLE: Nocuolin A; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1371/journal.pone.0172850 ;10.1002/ange.202015105; 10.1002/anie.202015105
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 15
+CH$NAME: Nocuolin A
+CH$NAME: 1-(4,6-dipentyl-5,6-dihydro-2H-1,2,3-oxadiazin-2-yl)-3-hydroxypropan-1-one
+CH$NAME: 1-(4,6-dipentyl-5,6-dihydrooxadiazin-2-yl)-3-hydroxypropan-1-one
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C16H30N2O3
+CH$EXACT_MASS: 298.2256428
+CH$SMILES: CCCCCC1CC(CCCCC)=NN(C(CCO)=O)O1
+CH$IUPAC: InChI=1S/C16H30N2O3/c1-3-5-7-9-14-13-15(10-8-6-4-2)21-18(17-14)16(20)11-12-19/h15,19H,3-13H2,1-2H3
+CH$LINK: PUBCHEM CID:129017397
+CH$LINK: INCHIKEY MPGIDXBHXRMMSY-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 111054822
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-326
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 11.924 min
+MS$FOCUSED_ION: BASE_PEAK 299.2319
+MS$FOCUSED_ION: PRECURSOR_M/Z 299.2329
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00w9-9600000000-a9c03083568e44a05745
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  55.0542 C4H7+ 1 55.0542 -0.37
+  57.0699 C4H9+ 1 57.0699 1.08
+  69.0699 C5H9+ 1 69.0699 -0.22
+  73.0284 C3H5O2+ 1 73.0284 -0.43
+  82.0651 C5H8N+ 1 82.0651 -0.74
+  83.0854 C6H11+ 1 83.0855 -1.26
+  93.07 C7H9+ 1 93.0699 1.03
+  97.065 C6H9O+ 1 97.0648 2.66
+  97.1011 C7H13+ 1 97.1012 -1.04
+  110.0964 C7H12N+ 1 110.0964 -0.48
+  111.1044 C7H13N+ 1 111.1043 1.31
+  127.1228 C7H15N2+ 1 127.123 -1.13
+  129.0656 C5H9N2O2+ 1 129.0659 -1.9
+  181.1329 C10H17N2O+ 1 181.1335 -3.69
+  199.1436 C10H19N2O2+ 1 199.1441 -2.47
+  209.201 C13H25N2+ 1 209.2012 -0.85
+  227.2118 C13H27N2O+ 1 227.2118 -0.13
+PK$NUM_PEAK: 17
+PK$PEAK: m/z int. rel.int.
+  55.0542 59961524 518
+  57.0699 17503156 151
+  69.0699 93967520 813
+  73.0284 82150576 711
+  82.0651 20724174 179
+  83.0854 57249588 495
+  93.07 8991533 77
+  97.065 10120999 87
+  97.1011 14851123 128
+  110.0964 61967092 536
+  111.1044 6795441.5 58
+  127.1228 115423760 999
+  129.0656 22667226 196
+  181.1329 18038532 156
+  199.1436 49354552 427
+  209.201 10475231 90
+  227.2118 11539820 99
+//
diff --git a/Eawag/MSBNK-EAWAG-ED001505.txt b/Eawag/MSBNK-EAWAG-ED001505.txt
new file mode 100644
index 0000000000..1e26e238fb
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED001505.txt
@@ -0,0 +1,88 @@
+ACCESSION: MSBNK-EAWAG-ED001505
+RECORD_TITLE: Nocuolin A; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1371/journal.pone.0172850 ;10.1002/ange.202015105; 10.1002/anie.202015105
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 15
+CH$NAME: Nocuolin A
+CH$NAME: 1-(4,6-dipentyl-5,6-dihydro-2H-1,2,3-oxadiazin-2-yl)-3-hydroxypropan-1-one
+CH$NAME: 1-(4,6-dipentyl-5,6-dihydrooxadiazin-2-yl)-3-hydroxypropan-1-one
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C16H30N2O3
+CH$EXACT_MASS: 298.2256428
+CH$SMILES: CCCCCC1CC(CCCCC)=NN(C(CCO)=O)O1
+CH$IUPAC: InChI=1S/C16H30N2O3/c1-3-5-7-9-14-13-15(10-8-6-4-2)21-18(17-14)16(20)11-12-19/h15,19H,3-13H2,1-2H3
+CH$LINK: PUBCHEM CID:129017397
+CH$LINK: INCHIKEY MPGIDXBHXRMMSY-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 111054822
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-326
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 11.924 min
+MS$FOCUSED_ION: BASE_PEAK 299.2319
+MS$FOCUSED_ION: PRECURSOR_M/Z 299.2329
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-07n9-9400000000-8a380488a619e3666665
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  55.018 C3H3O+ 1 55.0178 2.77
+  55.0542 C4H7+ 1 55.0542 0.33
+  57.07 C4H9+ 1 57.0699 1.75
+  58.0651 C3H8N+ 1 58.0651 -1.04
+  69.0699 C5H9+ 1 69.0699 -0.11
+  70.0652 C4H8N+ 1 70.0651 0.44
+  71.0606 C3H7N2+ 1 71.0604 3.01
+  71.0855 C5H11+ 1 71.0855 -0.72
+  72.0808 C4H10N+ 1 72.0808 0.46
+  73.0284 C3H5O2+ 1 73.0284 -0.32
+  82.0651 C5H8N+ 1 82.0651 -0.56
+  83.0855 C6H11+ 1 83.0855 0.12
+  93.0699 C7H9+ 1 93.0699 0.3
+  97.101 C7H13+ 1 97.1012 -1.67
+  99.0807 C6H11O+ 1 99.0804 2.64
+  110.0964 C7H12N+ 1 110.0964 -0.07
+  111.0554 C5H7N2O+ 1 111.0553 1.14
+  127.123 C7H15N2+ 1 127.123 -0.17
+  129.0656 C5H9N2O2+ 1 129.0659 -1.66
+  155.118 C8H15N2O+ 1 155.1179 0.56
+  181.134 C10H17N2O+ 1 181.1335 2.54
+  199.1437 C10H19N2O2+ 1 199.1441 -2.24
+PK$NUM_PEAK: 22
+PK$PEAK: m/z int. rel.int.
+  55.018 8528308 76
+  55.0542 86804640 778
+  57.07 12157628 109
+  58.0651 7158535.5 64
+  69.0699 111368680 999
+  70.0652 8463356 75
+  71.0606 6534969 58
+  71.0855 15708566 140
+  72.0808 7034289 63
+  73.0284 86461792 775
+  82.0651 42487724 381
+  83.0855 38330016 343
+  93.0699 14516653 130
+  97.101 12607056 113
+  99.0807 6666082 59
+  110.0964 71052856 637
+  111.0554 10533924 94
+  127.123 102902056 923
+  129.0656 19636620 176
+  155.118 8717556 78
+  181.134 8668610 77
+  199.1437 21590054 193
+//
diff --git a/Eawag/MSBNK-EAWAG-ED001506.txt b/Eawag/MSBNK-EAWAG-ED001506.txt
new file mode 100644
index 0000000000..fb05673415
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED001506.txt
@@ -0,0 +1,90 @@
+ACCESSION: MSBNK-EAWAG-ED001506
+RECORD_TITLE: Nocuolin A; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1371/journal.pone.0172850 ;10.1002/ange.202015105; 10.1002/anie.202015105
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 15
+CH$NAME: Nocuolin A
+CH$NAME: 1-(4,6-dipentyl-5,6-dihydro-2H-1,2,3-oxadiazin-2-yl)-3-hydroxypropan-1-one
+CH$NAME: 1-(4,6-dipentyl-5,6-dihydrooxadiazin-2-yl)-3-hydroxypropan-1-one
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C16H30N2O3
+CH$EXACT_MASS: 298.2256428
+CH$SMILES: CCCCCC1CC(CCCCC)=NN(C(CCO)=O)O1
+CH$IUPAC: InChI=1S/C16H30N2O3/c1-3-5-7-9-14-13-15(10-8-6-4-2)21-18(17-14)16(20)11-12-19/h15,19H,3-13H2,1-2H3
+CH$LINK: PUBCHEM CID:129017397
+CH$LINK: INCHIKEY MPGIDXBHXRMMSY-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 111054822
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-326
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 11.924 min
+MS$FOCUSED_ION: BASE_PEAK 299.2319
+MS$FOCUSED_ION: PRECURSOR_M/Z 299.2329
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0ayi-9200000000-6ed127e793fb87fa4567
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  55.018 C3H3O+ 1 55.0178 2.01
+  55.0542 C4H7+ 1 55.0542 0.19
+  56.0495 C3H6N+ 1 56.0495 0.66
+  57.07 C4H9+ 1 57.0699 1.41
+  58.0652 C3H8N+ 1 58.0651 1.85
+  67.0543 C5H7+ 1 67.0542 1.33
+  68.0496 C4H6N+ 1 68.0495 1.98
+  69.0336 C4H5O+ 1 69.0335 1.34
+  69.0698 C5H9+ 1 69.0699 -0.44
+  71.0605 C3H7N2+ 1 71.0604 1.08
+  71.0856 C5H11+ 1 71.0855 1
+  72.0809 C4H10N+ 1 72.0808 1.52
+  73.0284 C3H5O2+ 1 73.0284 -0.11
+  81.0574 C5H7N+ 1 81.0573 1.06
+  81.0699 C6H9+ 1 81.0699 0.18
+  82.0651 C5H8N+ 1 82.0651 -0.28
+  83.0854 C6H11+ 1 83.0855 -1.17
+  93.07 C7H9+ 1 93.0699 1.77
+  98.0965 C6H12N+ 1 98.0964 0.57
+  110.0963 C7H12N+ 1 110.0964 -1.17
+  111.0552 C5H7N2O+ 1 111.0553 -0.65
+  127.1228 C7H15N2+ 1 127.123 -1.49
+  129.066 C5H9N2O2+ 1 129.0659 1.41
+PK$NUM_PEAK: 23
+PK$PEAK: m/z int. rel.int.
+  55.018 7234118.5 87
+  55.0542 82448984 999
+  56.0495 6968129 84
+  57.07 10130659 122
+  58.0652 6481623 78
+  67.0543 3280159 39
+  68.0496 8126836 98
+  69.0336 6312920 76
+  69.0698 73415416 889
+  71.0605 11633929 140
+  71.0856 8469843 102
+  72.0809 8855810 107
+  73.0284 65431824 792
+  81.0574 4583812 55
+  81.0699 7943673.5 96
+  82.0651 40009540 484
+  83.0854 18123204 219
+  93.07 6159516 74
+  98.0965 5388345.5 65
+  110.0963 40195596 487
+  111.0552 8740000 105
+  127.1228 48630436 589
+  129.066 9235784 111
+//
diff --git a/Eawag/MSBNK-EAWAG-ED001507.txt b/Eawag/MSBNK-EAWAG-ED001507.txt
new file mode 100644
index 0000000000..c3a52e5191
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED001507.txt
@@ -0,0 +1,94 @@
+ACCESSION: MSBNK-EAWAG-ED001507
+RECORD_TITLE: Nocuolin A; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1371/journal.pone.0172850 ;10.1002/ange.202015105; 10.1002/anie.202015105
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 15
+CH$NAME: Nocuolin A
+CH$NAME: 1-(4,6-dipentyl-5,6-dihydro-2H-1,2,3-oxadiazin-2-yl)-3-hydroxypropan-1-one
+CH$NAME: 1-(4,6-dipentyl-5,6-dihydrooxadiazin-2-yl)-3-hydroxypropan-1-one
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C16H30N2O3
+CH$EXACT_MASS: 298.2256428
+CH$SMILES: CCCCCC1CC(CCCCC)=NN(C(CCO)=O)O1
+CH$IUPAC: InChI=1S/C16H30N2O3/c1-3-5-7-9-14-13-15(10-8-6-4-2)21-18(17-14)16(20)11-12-19/h15,19H,3-13H2,1-2H3
+CH$LINK: PUBCHEM CID:129017397
+CH$LINK: INCHIKEY MPGIDXBHXRMMSY-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 111054822
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-326
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 11.924 min
+MS$FOCUSED_ION: BASE_PEAK 299.2319
+MS$FOCUSED_ION: PRECURSOR_M/Z 299.2329
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0avi-9100000000-b106311134b9e98f1227
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  55.0178 C3H3O+ 1 55.0178 -1.11
+  55.0542 C4H7+ 1 55.0542 0.26
+  56.0495 C3H6N+ 1 56.0495 0.59
+  57.0449 C2H5N2+ 1 57.0447 3.19
+  57.0701 C4H9+ 1 57.0699 3.55
+  58.0653 C3H8N+ 1 58.0651 2.9
+  67.0544 C5H7+ 1 67.0542 2.69
+  68.0495 C4H6N+ 1 68.0495 -0.37
+  69.0449 C3H5N2+ 1 69.0447 2.4
+  69.0699 C5H9+ 1 69.0699 0.44
+  70.0653 C4H8N+ 1 70.0651 1.96
+  71.0606 C3H7N2+ 1 71.0604 2.8
+  71.0856 C5H11+ 1 71.0855 0.57
+  72.0808 C4H10N+ 1 72.0808 0.36
+  73.0284 C3H5O2+ 1 73.0284 0.51
+  81.0574 C5H7N+ 1 81.0573 0.97
+  81.07 C6H9+ 1 81.0699 1.12
+  82.0651 C5H8N+ 1 82.0651 -0.19
+  83.0856 C6H11+ 1 83.0855 0.67
+  91.0545 C7H7+ 1 91.0542 3.51
+  93.07 C7H9+ 1 93.0699 1.12
+  95.0731 C6H9N+ 1 95.073 1.09
+  110.0964 C7H12N+ 1 110.0964 -0.13
+  111.0556 C5H7N2O+ 1 111.0553 2.51
+  127.1228 C7H15N2+ 1 127.123 -1.07
+PK$NUM_PEAK: 25
+PK$PEAK: m/z int. rel.int.
+  55.0178 12815693 125
+  55.0542 101881664 999
+  56.0495 7541372 73
+  57.0449 7663932.5 75
+  57.0701 7268820 71
+  58.0653 10894042 106
+  67.0544 5628336.5 55
+  68.0495 14691787 144
+  69.0449 5253917.5 51
+  69.0699 56709452 556
+  70.0653 11327154 111
+  71.0606 11706217 114
+  71.0856 6937953.5 68
+  72.0808 16409467 160
+  73.0284 52233596 512
+  81.0574 9897247 97
+  81.07 6147717 60
+  82.0651 53656152 526
+  83.0856 9660905 94
+  91.0545 6504790.5 63
+  93.07 7793160.5 76
+  95.0731 5013059.5 49
+  110.0964 27526178 269
+  111.0556 11351619 111
+  127.1228 25021708 245
+//
diff --git a/Eawag/MSBNK-EAWAG-ED001508.txt b/Eawag/MSBNK-EAWAG-ED001508.txt
new file mode 100644
index 0000000000..79ee78994d
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED001508.txt
@@ -0,0 +1,86 @@
+ACCESSION: MSBNK-EAWAG-ED001508
+RECORD_TITLE: Nocuolin A; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1371/journal.pone.0172850 ;10.1002/ange.202015105; 10.1002/anie.202015105
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 15
+CH$NAME: Nocuolin A
+CH$NAME: 1-(4,6-dipentyl-5,6-dihydro-2H-1,2,3-oxadiazin-2-yl)-3-hydroxypropan-1-one
+CH$NAME: 1-(4,6-dipentyl-5,6-dihydrooxadiazin-2-yl)-3-hydroxypropan-1-one
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C16H30N2O3
+CH$EXACT_MASS: 298.2256428
+CH$SMILES: CCCCCC1CC(CCCCC)=NN(C(CCO)=O)O1
+CH$IUPAC: InChI=1S/C16H30N2O3/c1-3-5-7-9-14-13-15(10-8-6-4-2)21-18(17-14)16(20)11-12-19/h15,19H,3-13H2,1-2H3
+CH$LINK: PUBCHEM CID:129017397
+CH$LINK: INCHIKEY MPGIDXBHXRMMSY-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 111054822
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-326
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 11.924 min
+MS$FOCUSED_ION: BASE_PEAK 299.2319
+MS$FOCUSED_ION: PRECURSOR_M/Z 299.2329
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0aw9-9000000000-c76b19658f9a38904e42
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  55.018 C3H3O+ 1 55.0178 2.01
+  55.0542 C4H7+ 1 55.0542 0.19
+  56.0497 C3H6N+ 1 56.0495 3.24
+  57.0447 C2H5N2+ 1 57.0447 0.38
+  57.07 C4H9+ 1 57.0699 2.02
+  58.0652 C3H8N+ 1 58.0651 1.39
+  67.0544 C5H7+ 1 67.0542 2.35
+  68.0496 C4H6N+ 1 68.0495 2.1
+  69.0447 C3H5N2+ 1 69.0447 -0.8
+  69.0698 C5H9+ 1 69.0699 -0.88
+  70.065 C4H8N+ 1 70.0651 -1.63
+  71.0604 C3H7N2+ 1 71.0604 0.87
+  72.0809 C4H10N+ 1 72.0808 1.84
+  73.0284 C3H5O2+ 1 73.0284 -0.01
+  80.0495 C5H6N+ 1 80.0495 -0.23
+  81.0573 C5H7N+ 1 81.0573 0.4
+  81.0697 C6H9+ 1 81.0699 -1.61
+  82.0652 C5H8N+ 1 82.0651 0.46
+  91.0542 C7H7+ 1 91.0542 -0.68
+  95.0729 C6H9N+ 1 95.073 -0.76
+  110.0964 C7H12N+ 1 110.0964 0
+PK$NUM_PEAK: 21
+PK$PEAK: m/z int. rel.int.
+  55.018 12024896 132
+  55.0542 90804408 999
+  56.0497 6346087.5 69
+  57.0447 7278603 80
+  57.07 6516221.5 71
+  58.0652 8418498 92
+  67.0544 7858866 86
+  68.0496 11175059 122
+  69.0447 4554649.5 50
+  69.0698 40756192 448
+  70.065 10091781 111
+  71.0604 10350903 113
+  72.0809 10702474 117
+  73.0284 40195788 442
+  80.0495 5290640 58
+  81.0573 11315449 124
+  81.0697 4604852.5 50
+  82.0652 43525488 478
+  91.0542 5814356.5 63
+  95.0729 8225074.5 90
+  110.0964 13599081 149
+//
diff --git a/Eawag/MSBNK-EAWAG-ED001509.txt b/Eawag/MSBNK-EAWAG-ED001509.txt
new file mode 100644
index 0000000000..2022ee8d5e
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED001509.txt
@@ -0,0 +1,74 @@
+ACCESSION: MSBNK-EAWAG-ED001509
+RECORD_TITLE: Nocuolin A; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1371/journal.pone.0172850 ;10.1002/ange.202015105; 10.1002/anie.202015105
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 15
+CH$NAME: Nocuolin A
+CH$NAME: 1-(4,6-dipentyl-5,6-dihydro-2H-1,2,3-oxadiazin-2-yl)-3-hydroxypropan-1-one
+CH$NAME: 1-(4,6-dipentyl-5,6-dihydrooxadiazin-2-yl)-3-hydroxypropan-1-one
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C16H30N2O3
+CH$EXACT_MASS: 298.2256428
+CH$SMILES: CCCCCC1CC(CCCCC)=NN(C(CCO)=O)O1
+CH$IUPAC: InChI=1S/C16H30N2O3/c1-3-5-7-9-14-13-15(10-8-6-4-2)21-18(17-14)16(20)11-12-19/h15,19H,3-13H2,1-2H3
+CH$LINK: PUBCHEM CID:129017397
+CH$LINK: INCHIKEY MPGIDXBHXRMMSY-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 111054822
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-326
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 11.924 min
+MS$FOCUSED_ION: BASE_PEAK 299.2319
+MS$FOCUSED_ION: PRECURSOR_M/Z 299.2329
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0a4i-9000000000-8031fe4020e66bb6f311
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  55.0179 C3H3O+ 1 55.0178 1.52
+  55.0542 C4H7+ 1 55.0542 -0.02
+  56.0495 C3H6N+ 1 56.0495 0.39
+  57.0448 C2H5N2+ 1 57.0447 0.98
+  58.0652 C3H8N+ 1 58.0651 1.26
+  67.0543 C5H7+ 1 67.0542 1.67
+  68.0494 C4H6N+ 1 68.0495 -0.71
+  69.0699 C5H9+ 1 69.0699 0.22
+  71.0605 C3H7N2+ 1 71.0604 1.62
+  72.0808 C4H10N+ 1 72.0808 0.89
+  73.0284 C3H5O2+ 1 73.0284 -0.64
+  80.0496 C5H6N+ 1 80.0495 1.96
+  81.0575 C5H7N+ 1 81.0573 2.95
+  82.0651 C5H8N+ 1 82.0651 -0.84
+  110.0964 C7H12N+ 1 110.0964 0
+PK$NUM_PEAK: 15
+PK$PEAK: m/z int. rel.int.
+  55.0179 8253201.5 128
+  55.0542 63973092 999
+  56.0495 5848948.5 91
+  57.0448 7915754 123
+  58.0652 5194743.5 81
+  67.0543 5545359 86
+  68.0494 13278901 207
+  69.0699 19316022 301
+  71.0605 8610168 134
+  72.0808 9134542 142
+  73.0284 16305297 254
+  80.0496 5529021.5 86
+  81.0575 6984361 109
+  82.0651 22313184 348
+  110.0964 4252827.5 66
+//
diff --git a/Eawag/MSBNK-EAWAG-ED001551.txt b/Eawag/MSBNK-EAWAG-ED001551.txt
new file mode 100644
index 0000000000..3ea79d4f4f
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED001551.txt
@@ -0,0 +1,52 @@
+ACCESSION: MSBNK-EAWAG-ED001551
+RECORD_TITLE: Nocuolin A; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1371/journal.pone.0172850 ;10.1002/ange.202015105; 10.1002/anie.202015105
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 15
+CH$NAME: Nocuolin A
+CH$NAME: 1-(4,6-dipentyl-5,6-dihydro-2H-1,2,3-oxadiazin-2-yl)-3-hydroxypropan-1-one
+CH$NAME: 1-(4,6-dipentyl-5,6-dihydrooxadiazin-2-yl)-3-hydroxypropan-1-one
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C16H30N2O3
+CH$EXACT_MASS: 298.2256428
+CH$SMILES: CCCCCC1CC(CCCCC)=NN(C(CCO)=O)O1
+CH$IUPAC: InChI=1S/C16H30N2O3/c1-3-5-7-9-14-13-15(10-8-6-4-2)21-18(17-14)16(20)11-12-19/h15,19H,3-13H2,1-2H3
+CH$LINK: PUBCHEM CID:129017397
+CH$LINK: INCHIKEY MPGIDXBHXRMMSY-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 111054822
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-324
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 11.731 min
+MS$FOCUSED_ION: BASE_PEAK 487.2658
+MS$FOCUSED_ION: PRECURSOR_M/Z 297.2184
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0002-4590000000-945378cae16c0512d9c8
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  99.0815 C6H11O- 1 99.0815 -0.84
+  112.1131 C7H14N- 1 112.1132 -0.62
+  136.113 C9H14N- 1 136.1132 -1.08
+  297.2178 C16H29N2O3- 1 297.2184 -1.86
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  99.0815 1671252.9 513
+  112.1131 1427098.9 438
+  136.113 534481.8 164
+  297.2178 3252895 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED001552.txt b/Eawag/MSBNK-EAWAG-ED001552.txt
new file mode 100644
index 0000000000..45e7ac83c6
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED001552.txt
@@ -0,0 +1,52 @@
+ACCESSION: MSBNK-EAWAG-ED001552
+RECORD_TITLE: Nocuolin A; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1371/journal.pone.0172850 ;10.1002/ange.202015105; 10.1002/anie.202015105
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 15
+CH$NAME: Nocuolin A
+CH$NAME: 1-(4,6-dipentyl-5,6-dihydro-2H-1,2,3-oxadiazin-2-yl)-3-hydroxypropan-1-one
+CH$NAME: 1-(4,6-dipentyl-5,6-dihydrooxadiazin-2-yl)-3-hydroxypropan-1-one
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C16H30N2O3
+CH$EXACT_MASS: 298.2256428
+CH$SMILES: CCCCCC1CC(CCCCC)=NN(C(CCO)=O)O1
+CH$IUPAC: InChI=1S/C16H30N2O3/c1-3-5-7-9-14-13-15(10-8-6-4-2)21-18(17-14)16(20)11-12-19/h15,19H,3-13H2,1-2H3
+CH$LINK: PUBCHEM CID:129017397
+CH$LINK: INCHIKEY MPGIDXBHXRMMSY-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 111054822
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-324
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 11.731 min
+MS$FOCUSED_ION: BASE_PEAK 487.2658
+MS$FOCUSED_ION: PRECURSOR_M/Z 297.2184
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-01ot-5930000000-b02df7e0427ccfd838f6
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  99.0815 C6H11O- 1 99.0815 -0.61
+  112.1131 C7H14N- 1 112.1132 -0.35
+  136.113 C9H14N- 1 136.1132 -1.19
+  297.2179 C16H29N2O3- 1 297.2184 -1.55
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  99.0815 1882495.9 874
+  112.1131 2149966.5 999
+  136.113 742591.8 345
+  297.2179 1168248.8 542
+//
diff --git a/Eawag/MSBNK-EAWAG-ED001553.txt b/Eawag/MSBNK-EAWAG-ED001553.txt
new file mode 100644
index 0000000000..6f6cfd0a19
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED001553.txt
@@ -0,0 +1,52 @@
+ACCESSION: MSBNK-EAWAG-ED001553
+RECORD_TITLE: Nocuolin A; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1371/journal.pone.0172850 ;10.1002/ange.202015105; 10.1002/anie.202015105
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 15
+CH$NAME: Nocuolin A
+CH$NAME: 1-(4,6-dipentyl-5,6-dihydro-2H-1,2,3-oxadiazin-2-yl)-3-hydroxypropan-1-one
+CH$NAME: 1-(4,6-dipentyl-5,6-dihydrooxadiazin-2-yl)-3-hydroxypropan-1-one
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C16H30N2O3
+CH$EXACT_MASS: 298.2256428
+CH$SMILES: CCCCCC1CC(CCCCC)=NN(C(CCO)=O)O1
+CH$IUPAC: InChI=1S/C16H30N2O3/c1-3-5-7-9-14-13-15(10-8-6-4-2)21-18(17-14)16(20)11-12-19/h15,19H,3-13H2,1-2H3
+CH$LINK: PUBCHEM CID:129017397
+CH$LINK: INCHIKEY MPGIDXBHXRMMSY-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 111054822
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-324
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 11.731 min
+MS$FOCUSED_ION: BASE_PEAK 487.2658
+MS$FOCUSED_ION: PRECURSOR_M/Z 297.2184
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03dj-4900000000-d449093b7729967573bb
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  99.0815 C6H11O- 1 99.0815 -0.61
+  112.1131 C7H14N- 1 112.1132 -0.48
+  136.113 C9H14N- 1 136.1132 -0.97
+  297.2176 C16H29N2O3- 1 297.2184 -2.68
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  99.0815 1637091.4 712
+  112.1131 2295195.2 999
+  136.113 803732.1 349
+  297.2176 267452.2 116
+//
diff --git a/Eawag/MSBNK-EAWAG-ED001554.txt b/Eawag/MSBNK-EAWAG-ED001554.txt
new file mode 100644
index 0000000000..10d27863d2
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED001554.txt
@@ -0,0 +1,52 @@
+ACCESSION: MSBNK-EAWAG-ED001554
+RECORD_TITLE: Nocuolin A; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1371/journal.pone.0172850 ;10.1002/ange.202015105; 10.1002/anie.202015105
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 15
+CH$NAME: Nocuolin A
+CH$NAME: 1-(4,6-dipentyl-5,6-dihydro-2H-1,2,3-oxadiazin-2-yl)-3-hydroxypropan-1-one
+CH$NAME: 1-(4,6-dipentyl-5,6-dihydrooxadiazin-2-yl)-3-hydroxypropan-1-one
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C16H30N2O3
+CH$EXACT_MASS: 298.2256428
+CH$SMILES: CCCCCC1CC(CCCCC)=NN(C(CCO)=O)O1
+CH$IUPAC: InChI=1S/C16H30N2O3/c1-3-5-7-9-14-13-15(10-8-6-4-2)21-18(17-14)16(20)11-12-19/h15,19H,3-13H2,1-2H3
+CH$LINK: PUBCHEM CID:129017397
+CH$LINK: INCHIKEY MPGIDXBHXRMMSY-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 111054822
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-324
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 11.731 min
+MS$FOCUSED_ION: BASE_PEAK 487.2658
+MS$FOCUSED_ION: PRECURSOR_M/Z 297.2184
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03dj-4900000000-947819f61f12a0b10f62
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  56.0505 C3H6N- 1 56.0506 -1.77
+  99.0815 C6H11O- 1 99.0815 -0.77
+  112.1131 C7H14N- 1 112.1132 -0.62
+  136.113 C9H14N- 1 136.1132 -1.08
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  56.0505 41177.9 21
+  99.0815 1202552 634
+  112.1131 1894544.9 999
+  136.113 766182.1 404
+//
diff --git a/Eawag/MSBNK-EAWAG-ED001555.txt b/Eawag/MSBNK-EAWAG-ED001555.txt
new file mode 100644
index 0000000000..46b0bd618b
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED001555.txt
@@ -0,0 +1,54 @@
+ACCESSION: MSBNK-EAWAG-ED001555
+RECORD_TITLE: Nocuolin A; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1371/journal.pone.0172850 ;10.1002/ange.202015105; 10.1002/anie.202015105
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 15
+CH$NAME: Nocuolin A
+CH$NAME: 1-(4,6-dipentyl-5,6-dihydro-2H-1,2,3-oxadiazin-2-yl)-3-hydroxypropan-1-one
+CH$NAME: 1-(4,6-dipentyl-5,6-dihydrooxadiazin-2-yl)-3-hydroxypropan-1-one
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C16H30N2O3
+CH$EXACT_MASS: 298.2256428
+CH$SMILES: CCCCCC1CC(CCCCC)=NN(C(CCO)=O)O1
+CH$IUPAC: InChI=1S/C16H30N2O3/c1-3-5-7-9-14-13-15(10-8-6-4-2)21-18(17-14)16(20)11-12-19/h15,19H,3-13H2,1-2H3
+CH$LINK: PUBCHEM CID:129017397
+CH$LINK: INCHIKEY MPGIDXBHXRMMSY-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 111054822
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-324
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 11.731 min
+MS$FOCUSED_ION: BASE_PEAK 487.2658
+MS$FOCUSED_ION: PRECURSOR_M/Z 297.2184
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03ds-4900000000-64a335b546ae4dbb82f1
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  56.0505 C3H6N- 1 56.0506 -1.09
+  80.0506 C5H6N- 1 80.0506 -0.25
+  99.0814 C6H11O- 1 99.0815 -1
+  112.1131 C7H14N- 1 112.1132 -0.96
+  136.113 C9H14N- 1 136.1132 -1.19
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  56.0505 83002.2 60
+  80.0506 88790.8 65
+  99.0814 828228.6 607
+  112.1131 1361518.2 999
+  136.113 703307.2 516
+//
diff --git a/Eawag/MSBNK-EAWAG-ED001556.txt b/Eawag/MSBNK-EAWAG-ED001556.txt
new file mode 100644
index 0000000000..8d06423f0e
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED001556.txt
@@ -0,0 +1,56 @@
+ACCESSION: MSBNK-EAWAG-ED001556
+RECORD_TITLE: Nocuolin A; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1371/journal.pone.0172850 ;10.1002/ange.202015105; 10.1002/anie.202015105
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 15
+CH$NAME: Nocuolin A
+CH$NAME: 1-(4,6-dipentyl-5,6-dihydro-2H-1,2,3-oxadiazin-2-yl)-3-hydroxypropan-1-one
+CH$NAME: 1-(4,6-dipentyl-5,6-dihydrooxadiazin-2-yl)-3-hydroxypropan-1-one
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C16H30N2O3
+CH$EXACT_MASS: 298.2256428
+CH$SMILES: CCCCCC1CC(CCCCC)=NN(C(CCO)=O)O1
+CH$IUPAC: InChI=1S/C16H30N2O3/c1-3-5-7-9-14-13-15(10-8-6-4-2)21-18(17-14)16(20)11-12-19/h15,19H,3-13H2,1-2H3
+CH$LINK: PUBCHEM CID:129017397
+CH$LINK: INCHIKEY MPGIDXBHXRMMSY-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 111054822
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-324
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 11.731 min
+MS$FOCUSED_ION: BASE_PEAK 487.2658
+MS$FOCUSED_ION: PRECURSOR_M/Z 297.2184
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03ds-6900000000-7f268bcc06a555dd22e3
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  56.0504 C3H6N- 1 56.0506 -2.66
+  80.0504 C5H6N- 1 80.0506 -1.59
+  96.0818 C6H10N- 1 96.0819 -0.39
+  99.0814 C6H11O- 1 99.0815 -1.15
+  112.1131 C7H14N- 1 112.1132 -1.03
+  136.113 C9H14N- 1 136.1132 -1.3
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  56.0504 101240.5 136
+  80.0504 192005.5 258
+  96.0818 32037.1 43
+  99.0814 554118.4 744
+  112.1131 743385.9 999
+  136.113 510956.5 686
+//
diff --git a/Eawag/MSBNK-EAWAG-ED001557.txt b/Eawag/MSBNK-EAWAG-ED001557.txt
new file mode 100644
index 0000000000..e09685cd0a
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED001557.txt
@@ -0,0 +1,54 @@
+ACCESSION: MSBNK-EAWAG-ED001557
+RECORD_TITLE: Nocuolin A; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1371/journal.pone.0172850 ;10.1002/ange.202015105; 10.1002/anie.202015105
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 15
+CH$NAME: Nocuolin A
+CH$NAME: 1-(4,6-dipentyl-5,6-dihydro-2H-1,2,3-oxadiazin-2-yl)-3-hydroxypropan-1-one
+CH$NAME: 1-(4,6-dipentyl-5,6-dihydrooxadiazin-2-yl)-3-hydroxypropan-1-one
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C16H30N2O3
+CH$EXACT_MASS: 298.2256428
+CH$SMILES: CCCCCC1CC(CCCCC)=NN(C(CCO)=O)O1
+CH$IUPAC: InChI=1S/C16H30N2O3/c1-3-5-7-9-14-13-15(10-8-6-4-2)21-18(17-14)16(20)11-12-19/h15,19H,3-13H2,1-2H3
+CH$LINK: PUBCHEM CID:129017397
+CH$LINK: INCHIKEY MPGIDXBHXRMMSY-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 111054822
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-324
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 11.731 min
+MS$FOCUSED_ION: BASE_PEAK 487.2658
+MS$FOCUSED_ION: PRECURSOR_M/Z 297.2184
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-01qj-9700000000-01393425a1eca77b5ec2
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  56.0505 C3H6N- 1 56.0506 -1.37
+  80.0505 C5H6N- 1 80.0506 -1.11
+  99.0815 C6H11O- 1 99.0815 -0.77
+  112.113 C7H14N- 1 112.1132 -1.3
+  136.113 C9H14N- 1 136.1132 -1.08
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  56.0505 95042.6 298
+  80.0505 318172.7 999
+  99.0815 290755.2 912
+  112.113 279723.9 878
+  136.113 301079.8 945
+//
diff --git a/Eawag/MSBNK-EAWAG-ED001558.txt b/Eawag/MSBNK-EAWAG-ED001558.txt
new file mode 100644
index 0000000000..4fc2108b6e
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED001558.txt
@@ -0,0 +1,54 @@
+ACCESSION: MSBNK-EAWAG-ED001558
+RECORD_TITLE: Nocuolin A; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1371/journal.pone.0172850 ;10.1002/ange.202015105; 10.1002/anie.202015105
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 15
+CH$NAME: Nocuolin A
+CH$NAME: 1-(4,6-dipentyl-5,6-dihydro-2H-1,2,3-oxadiazin-2-yl)-3-hydroxypropan-1-one
+CH$NAME: 1-(4,6-dipentyl-5,6-dihydrooxadiazin-2-yl)-3-hydroxypropan-1-one
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C16H30N2O3
+CH$EXACT_MASS: 298.2256428
+CH$SMILES: CCCCCC1CC(CCCCC)=NN(C(CCO)=O)O1
+CH$IUPAC: InChI=1S/C16H30N2O3/c1-3-5-7-9-14-13-15(10-8-6-4-2)21-18(17-14)16(20)11-12-19/h15,19H,3-13H2,1-2H3
+CH$LINK: PUBCHEM CID:129017397
+CH$LINK: INCHIKEY MPGIDXBHXRMMSY-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 111054822
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-324
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 11.731 min
+MS$FOCUSED_ION: BASE_PEAK 487.2658
+MS$FOCUSED_ION: PRECURSOR_M/Z 297.2184
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-001i-9300000000-18902c40d83fbecee05a
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  56.0505 C3H6N- 1 56.0506 -1.64
+  80.0504 C5H6N- 1 80.0506 -2.06
+  99.0815 C6H11O- 1 99.0815 -0.38
+  112.1131 C7H14N- 1 112.1132 -0.21
+  136.1131 C9H14N- 1 136.1132 -0.41
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  56.0505 73964.5 227
+  80.0504 324342.9 999
+  99.0815 155631.1 479
+  112.1131 80131.2 246
+  136.1131 127837.2 393
+//
diff --git a/Eawag/MSBNK-EAWAG-ED001559.txt b/Eawag/MSBNK-EAWAG-ED001559.txt
new file mode 100644
index 0000000000..1bec7ee510
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED001559.txt
@@ -0,0 +1,50 @@
+ACCESSION: MSBNK-EAWAG-ED001559
+RECORD_TITLE: Nocuolin A; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1371/journal.pone.0172850 ;10.1002/ange.202015105; 10.1002/anie.202015105
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 15
+CH$NAME: Nocuolin A
+CH$NAME: 1-(4,6-dipentyl-5,6-dihydro-2H-1,2,3-oxadiazin-2-yl)-3-hydroxypropan-1-one
+CH$NAME: 1-(4,6-dipentyl-5,6-dihydrooxadiazin-2-yl)-3-hydroxypropan-1-one
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C16H30N2O3
+CH$EXACT_MASS: 298.2256428
+CH$SMILES: CCCCCC1CC(CCCCC)=NN(C(CCO)=O)O1
+CH$IUPAC: InChI=1S/C16H30N2O3/c1-3-5-7-9-14-13-15(10-8-6-4-2)21-18(17-14)16(20)11-12-19/h15,19H,3-13H2,1-2H3
+CH$LINK: PUBCHEM CID:129017397
+CH$LINK: INCHIKEY MPGIDXBHXRMMSY-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 111054822
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-324
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 11.731 min
+MS$FOCUSED_ION: BASE_PEAK 487.2658
+MS$FOCUSED_ION: PRECURSOR_M/Z 297.2184
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-001i-9000000000-349c632bce7d17d2d937
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  80.0505 C5H6N- 1 80.0506 -1.21
+  99.0813 C6H11O- 1 99.0815 -2.38
+  136.1131 C9H14N- 1 136.1132 -0.41
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  80.0505 304334.9 999
+  99.0813 73369.7 240
+  136.1131 40218.2 132
+//
diff --git a/Eawag/MSBNK-EAWAG-ED004101.txt b/Eawag/MSBNK-EAWAG-ED004101.txt
new file mode 100644
index 0000000000..ad6dc88e02
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED004101.txt
@@ -0,0 +1,56 @@
+ACCESSION: MSBNK-EAWAG-ED004101
+RECORD_TITLE: Portoamide A; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1073/pnas.0914343107
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 41
+CH$NAME: Portoamide A
+CH$NAME: 1-((6R,9S,15S,18R,20aS,25aS,34R,40aS,E)-34-(3-amino-3-oxopropyl)-18-((S)-sec-butyl)-12-ethylidene-37-hydroxy-9-((R)-1-hydroxyethyl)-15-(hydroxymethyl)-6-(4-methoxyphenethyl)-5,8,11,14,17,20,25,30,33,36,40-undecaoxooctatriacontahydro-1H,25H-tripyrrolo[1,2-b1:1`,2`-g:1``,2``-j][1,4,7,10,13,16,19,22,25,28,31]undecaazacyclotetratriacontin-38-yl)-4,5-dihydroxy-7-methyloctan-2-yl N-acetyl-N-methyl-L-tyrosinate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C74H109N13O22
+CH$EXACT_MASS: 1531.781012
+CH$SMILES: O=C(NCC(N1[C@H](C(N2[C@H](C(N[C@@H](C(N[C@H](C(N/C(C(N[C@H](C(N[C@@H](C(N3[C@H](C(NC(C4O)CC(CC(C(CC(C)C)O)O)OC([C@@H](N(C(C)=O)C)CC5=CC=C(C=C5)O)=O)=O)CCC3)=O)CCC6=CC=C(OC)C=C6)=O)[C@H](O)C)=O)=C/C)=O)CO)=O)[C@H](CC)C)=O)CCC2)=O)CCC1)=O)[C@H](NC4=O)CCC(N)=O
+CH$IUPAC: InChI=1S/C74H109N13O22/c1-10-40(5)61-69(102)81-52(38-88)66(99)77-48(11-2)65(98)83-62(41(6)89)70(103)79-50(27-22-43-20-25-46(108-9)26-21-43)72(105)86-31-12-15-53(86)67(100)80-51(35-47(36-58(93)57(92)33-39(3)4)109-74(107)56(84(8)42(7)90)34-44-18-23-45(91)24-19-44)63(96)71(104)78-49(28-29-59(75)94)64(97)76-37-60(95)85-30-14-17-55(85)73(106)87-32-13-16-54(87)68(101)82-61/h11,18-21,23-26,39-41,47,49-58,61-63,88-89,91-93,96H,10,12-17,22,27-38H2,1-9H3,(H2,75,94)(H,76,97)(H,77,99)(H,78,104)(H,79,103)(H,80,100)(H,81,102)(H,82,101)(H,83,98)/b48-11+/t40-,41+,47?,49+,50+,51?,52-,53-,54-,55-,56-,57?,58?,61+,62-,63?/m0/s1
+CH$LINK: PUBCHEM CID:146683713
+CH$LINK: INCHIKEY IURIYLBJXOYFRR-CFLUNQOMSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 150-1584
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.056 min
+MS$FOCUSED_ION: BASE_PEAK 766.8974
+MS$FOCUSED_ION: PRECURSOR_M/Z 1532.7883
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-001i-0000090000-7c155c3f554ce7b84256
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  170.3137 C3H42N2O4+ 1 170.3139 -1.46
+  1295.6868 C61H99N8O22+ 17 1295.6868 -0.02
+  1296.6851 C63H96N10O19+ 19 1296.6848 0.26
+  1497.7527 C74H105N12O21+ 1 1497.7512 1.05
+  1514.7767 C74H108N13O21+ 1 1514.7777 -0.69
+  1515.7672 C74H107N12O22+ 1 1515.7617 3.58
+  1532.7865 C74H110N13O22+ 1 1532.7883 -1.19
+PK$NUM_PEAK: 7
+PK$PEAK: m/z int. rel.int.
+  170.3137 8663981 48
+  1295.6868 16400247 91
+  1296.6851 1824043.9 10
+  1497.7527 1792405.4 10
+  1514.7767 19583162 109
+  1515.7672 7607067 42
+  1532.7865 178189792 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED004102.txt b/Eawag/MSBNK-EAWAG-ED004102.txt
new file mode 100644
index 0000000000..3b58a9460c
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED004102.txt
@@ -0,0 +1,72 @@
+ACCESSION: MSBNK-EAWAG-ED004102
+RECORD_TITLE: Portoamide A; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1073/pnas.0914343107
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 41
+CH$NAME: Portoamide A
+CH$NAME: 1-((6R,9S,15S,18R,20aS,25aS,34R,40aS,E)-34-(3-amino-3-oxopropyl)-18-((S)-sec-butyl)-12-ethylidene-37-hydroxy-9-((R)-1-hydroxyethyl)-15-(hydroxymethyl)-6-(4-methoxyphenethyl)-5,8,11,14,17,20,25,30,33,36,40-undecaoxooctatriacontahydro-1H,25H-tripyrrolo[1,2-b1:1`,2`-g:1``,2``-j][1,4,7,10,13,16,19,22,25,28,31]undecaazacyclotetratriacontin-38-yl)-4,5-dihydroxy-7-methyloctan-2-yl N-acetyl-N-methyl-L-tyrosinate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C74H109N13O22
+CH$EXACT_MASS: 1531.781012
+CH$SMILES: O=C(NCC(N1[C@H](C(N2[C@H](C(N[C@@H](C(N[C@H](C(N/C(C(N[C@H](C(N[C@@H](C(N3[C@H](C(NC(C4O)CC(CC(C(CC(C)C)O)O)OC([C@@H](N(C(C)=O)C)CC5=CC=C(C=C5)O)=O)=O)CCC3)=O)CCC6=CC=C(OC)C=C6)=O)[C@H](O)C)=O)=C/C)=O)CO)=O)[C@H](CC)C)=O)CCC2)=O)CCC1)=O)[C@H](NC4=O)CCC(N)=O
+CH$IUPAC: InChI=1S/C74H109N13O22/c1-10-40(5)61-69(102)81-52(38-88)66(99)77-48(11-2)65(98)83-62(41(6)89)70(103)79-50(27-22-43-20-25-46(108-9)26-21-43)72(105)86-31-12-15-53(86)67(100)80-51(35-47(36-58(93)57(92)33-39(3)4)109-74(107)56(84(8)42(7)90)34-44-18-23-45(91)24-19-44)63(96)71(104)78-49(28-29-59(75)94)64(97)76-37-60(95)85-30-14-17-55(85)73(106)87-32-13-16-54(87)68(101)82-61/h11,18-21,23-26,39-41,47,49-58,61-63,88-89,91-93,96H,10,12-17,22,27-38H2,1-9H3,(H2,75,94)(H,76,97)(H,77,99)(H,78,104)(H,79,103)(H,80,100)(H,81,102)(H,82,101)(H,83,98)/b48-11+/t40-,41+,47?,49+,50+,51?,52-,53-,54-,55-,56-,57?,58?,61+,62-,63?/m0/s1
+CH$LINK: PUBCHEM CID:146683713
+CH$LINK: INCHIKEY IURIYLBJXOYFRR-CFLUNQOMSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 150-1584
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.056 min
+MS$FOCUSED_ION: BASE_PEAK 766.8974
+MS$FOCUSED_ION: PRECURSOR_M/Z 1532.7883
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-001i-0020090000-9cb34da24e7d136baf1d
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  168.3127 C5H38N5+ 2 168.3122 3.19
+  170.3141 C3H42N2O4+ 1 170.3139 0.86
+  192.1013 C9H12N4O+ 2 192.1006 3.94
+  220.096 C12H14NO3+ 2 220.0968 -3.77
+  395.2279 C18H25N11+ 12 395.2289 -2.61
+  1240.6444 C58H94N7O22+ 22 1240.6446 -0.17
+  1278.6641 C70H90N10O13+ 18 1278.6683 -3.31
+  1295.6868 C61H99N8O22+ 17 1295.6868 -0.02
+  1296.685 C63H96N10O19+ 17 1296.6848 0.17
+  1496.7658 C74H106N13O20+ 1 1496.7672 -0.91
+  1497.7535 C74H105N12O21+ 1 1497.7512 1.54
+  1504.796 C73H110N13O21+ 1 1504.7934 1.72
+  1514.7762 C74H108N13O21+ 1 1514.7777 -1.01
+  1515.7683 C74H107N12O22+ 1 1515.7617 4.3
+  1532.7866 C74H110N13O22+ 1 1532.7883 -1.12
+PK$NUM_PEAK: 15
+PK$PEAK: m/z int. rel.int.
+  168.3127 1204059.2 11
+  170.3141 5132061.5 47
+  192.1013 2220856.8 20
+  220.096 5449960.5 50
+  395.2279 2590583.2 23
+  1240.6444 2067268.8 19
+  1278.6641 4385245 40
+  1295.6868 28303708 261
+  1296.685 4229620.5 39
+  1496.7658 2967297.5 27
+  1497.7535 3494852.8 32
+  1504.796 2105457.5 19
+  1514.7762 24892420 229
+  1515.7683 8681392 80
+  1532.7866 108202088 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED004103.txt b/Eawag/MSBNK-EAWAG-ED004103.txt
new file mode 100644
index 0000000000..bc98243bde
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED004103.txt
@@ -0,0 +1,84 @@
+ACCESSION: MSBNK-EAWAG-ED004103
+RECORD_TITLE: Portoamide A; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1073/pnas.0914343107
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 41
+CH$NAME: Portoamide A
+CH$NAME: 1-((6R,9S,15S,18R,20aS,25aS,34R,40aS,E)-34-(3-amino-3-oxopropyl)-18-((S)-sec-butyl)-12-ethylidene-37-hydroxy-9-((R)-1-hydroxyethyl)-15-(hydroxymethyl)-6-(4-methoxyphenethyl)-5,8,11,14,17,20,25,30,33,36,40-undecaoxooctatriacontahydro-1H,25H-tripyrrolo[1,2-b1:1`,2`-g:1``,2``-j][1,4,7,10,13,16,19,22,25,28,31]undecaazacyclotetratriacontin-38-yl)-4,5-dihydroxy-7-methyloctan-2-yl N-acetyl-N-methyl-L-tyrosinate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C74H109N13O22
+CH$EXACT_MASS: 1531.781012
+CH$SMILES: O=C(NCC(N1[C@H](C(N2[C@H](C(N[C@@H](C(N[C@H](C(N/C(C(N[C@H](C(N[C@@H](C(N3[C@H](C(NC(C4O)CC(CC(C(CC(C)C)O)O)OC([C@@H](N(C(C)=O)C)CC5=CC=C(C=C5)O)=O)=O)CCC3)=O)CCC6=CC=C(OC)C=C6)=O)[C@H](O)C)=O)=C/C)=O)CO)=O)[C@H](CC)C)=O)CCC2)=O)CCC1)=O)[C@H](NC4=O)CCC(N)=O
+CH$IUPAC: InChI=1S/C74H109N13O22/c1-10-40(5)61-69(102)81-52(38-88)66(99)77-48(11-2)65(98)83-62(41(6)89)70(103)79-50(27-22-43-20-25-46(108-9)26-21-43)72(105)86-31-12-15-53(86)67(100)80-51(35-47(36-58(93)57(92)33-39(3)4)109-74(107)56(84(8)42(7)90)34-44-18-23-45(91)24-19-44)63(96)71(104)78-49(28-29-59(75)94)64(97)76-37-60(95)85-30-14-17-55(85)73(106)87-32-13-16-54(87)68(101)82-61/h11,18-21,23-26,39-41,47,49-58,61-63,88-89,91-93,96H,10,12-17,22,27-38H2,1-9H3,(H2,75,94)(H,76,97)(H,77,99)(H,78,104)(H,79,103)(H,80,100)(H,81,102)(H,82,101)(H,83,98)/b48-11+/t40-,41+,47?,49+,50+,51?,52-,53-,54-,55-,56-,57?,58?,61+,62-,63?/m0/s1
+CH$LINK: PUBCHEM CID:146683713
+CH$LINK: INCHIKEY IURIYLBJXOYFRR-CFLUNQOMSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 150-1584
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.056 min
+MS$FOCUSED_ION: BASE_PEAK 766.8974
+MS$FOCUSED_ION: PRECURSOR_M/Z 1532.7883
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-001j-0261090000-e8a3b03bf297e7e08ba5
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  150.091 C9H12NO+ 1 150.0913 -2.27
+  168.3121 C5H38N5+ 1 168.3122 -0.44
+  170.3132 C3H42N2O4+ 2 170.3139 -3.97
+  192.1013 C9H12N4O+ 2 192.1006 3.71
+  220.096 C12H14NO3+ 2 220.0968 -3.77
+  377.2181 C20H25N8+ 9 377.2197 -4.21
+  395.2279 C18H25N11+ 12 395.2289 -2.45
+  478.2652 C9H38N10O12+ 15 478.2665 -2.66
+  526.2878 C11H48N3O19+ 18 526.2877 0.25
+  706.3657 C33H56NO15+ 25 706.3644 1.72
+  770.407 C36H54N10O9+ 25 770.407 -0.01
+  827.4232 C45H63O14+ 28 827.4212 2.36
+  1003.546 C48H81N3O19+ 35 1003.5459 0.1
+  1139.5974 C68H75N12O5+ 30 1139.5978 -0.36
+  1260.6514 C63H96N4O22+ 20 1260.6511 0.26
+  1278.6669 C70H90N10O13+ 18 1278.6683 -1.11
+  1295.6871 C61H99N8O22+ 17 1295.6868 0.17
+  1296.6882 C68H96N8O17+ 16 1296.6888 -0.49
+  1504.7928 C73H110N13O21+ 1 1504.7934 -0.39
+  1514.7767 C74H108N13O21+ 1 1514.7777 -0.69
+  1532.7878 C74H110N13O22+ 1 1532.7883 -0.32
+PK$NUM_PEAK: 21
+PK$PEAK: m/z int. rel.int.
+  150.091 2431991.5 101
+  168.3121 508657.2 21
+  170.3132 1160992.1 48
+  192.1013 5603733 233
+  220.096 8022856 334
+  377.2181 1043397.1 43
+  395.2279 4068621.2 169
+  478.2652 1943033 80
+  526.2878 1006852.9 41
+  706.3657 2356026.2 98
+  770.407 1399431.8 58
+  827.4232 1828533.5 76
+  1003.546 3374936.5 140
+  1139.5974 1652342.5 68
+  1260.6514 1404006.6 58
+  1278.6669 2976894.5 123
+  1295.6871 14727301 613
+  1296.6882 2242398.8 93
+  1504.7928 4579338 190
+  1514.7767 10397083 432
+  1532.7878 23995432 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED004104.txt b/Eawag/MSBNK-EAWAG-ED004104.txt
new file mode 100644
index 0000000000..9af7233700
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED004104.txt
@@ -0,0 +1,82 @@
+ACCESSION: MSBNK-EAWAG-ED004104
+RECORD_TITLE: Portoamide A; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1073/pnas.0914343107
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 41
+CH$NAME: Portoamide A
+CH$NAME: 1-((6R,9S,15S,18R,20aS,25aS,34R,40aS,E)-34-(3-amino-3-oxopropyl)-18-((S)-sec-butyl)-12-ethylidene-37-hydroxy-9-((R)-1-hydroxyethyl)-15-(hydroxymethyl)-6-(4-methoxyphenethyl)-5,8,11,14,17,20,25,30,33,36,40-undecaoxooctatriacontahydro-1H,25H-tripyrrolo[1,2-b1:1`,2`-g:1``,2``-j][1,4,7,10,13,16,19,22,25,28,31]undecaazacyclotetratriacontin-38-yl)-4,5-dihydroxy-7-methyloctan-2-yl N-acetyl-N-methyl-L-tyrosinate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C74H109N13O22
+CH$EXACT_MASS: 1531.781012
+CH$SMILES: O=C(NCC(N1[C@H](C(N2[C@H](C(N[C@@H](C(N[C@H](C(N/C(C(N[C@H](C(N[C@@H](C(N3[C@H](C(NC(C4O)CC(CC(C(CC(C)C)O)O)OC([C@@H](N(C(C)=O)C)CC5=CC=C(C=C5)O)=O)=O)CCC3)=O)CCC6=CC=C(OC)C=C6)=O)[C@H](O)C)=O)=C/C)=O)CO)=O)[C@H](CC)C)=O)CCC2)=O)CCC1)=O)[C@H](NC4=O)CCC(N)=O
+CH$IUPAC: InChI=1S/C74H109N13O22/c1-10-40(5)61-69(102)81-52(38-88)66(99)77-48(11-2)65(98)83-62(41(6)89)70(103)79-50(27-22-43-20-25-46(108-9)26-21-43)72(105)86-31-12-15-53(86)67(100)80-51(35-47(36-58(93)57(92)33-39(3)4)109-74(107)56(84(8)42(7)90)34-44-18-23-45(91)24-19-44)63(96)71(104)78-49(28-29-59(75)94)64(97)76-37-60(95)85-30-14-17-55(85)73(106)87-32-13-16-54(87)68(101)82-61/h11,18-21,23-26,39-41,47,49-58,61-63,88-89,91-93,96H,10,12-17,22,27-38H2,1-9H3,(H2,75,94)(H,76,97)(H,77,99)(H,78,104)(H,79,103)(H,80,100)(H,81,102)(H,82,101)(H,83,98)/b48-11+/t40-,41+,47?,49+,50+,51?,52-,53-,54-,55-,56-,57?,58?,61+,62-,63?/m0/s1
+CH$LINK: PUBCHEM CID:146683713
+CH$LINK: INCHIKEY IURIYLBJXOYFRR-CFLUNQOMSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 150-1584
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.056 min
+MS$FOCUSED_ION: BASE_PEAK 766.8974
+MS$FOCUSED_ION: PRECURSOR_M/Z 1532.7883
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0ukc-1966230110-8b33e25b8487f69c7c8b
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  150.0911 C9H12NO+ 1 150.0913 -1.87
+  183.1488 C10H19N2O+ 1 183.1492 -2.04
+  192.1013 C9H12N4O+ 2 192.1006 4.02
+  220.096 C12H14NO3+ 2 220.0968 -3.56
+  295.2009 CH33N3O13+ 6 295.2008 0.27
+  308.1962 CH32N4O13+ 6 308.196 0.68
+  313.2115 CH35N3O14+ 6 313.2114 0.35
+  377.2183 C20H25N8+ 9 377.2197 -3.72
+  381.2129 C3H35N5O15+ 12 381.2124 1.19
+  395.2283 C18H25N11+ 12 395.2289 -1.53
+  452.2492 C18H36N4O9+ 13 452.2477 3.31
+  478.2656 C9H38N10O12+ 17 478.2665 -2.02
+  526.2877 C11H48N3O19+ 18 526.2877 0.13
+  706.3657 C33H56NO15+ 25 706.3644 1.72
+  805.4797 C22H69N12O19+ 30 805.4796 0.05
+  827.4245 C45H63O14+ 28 827.4212 3.91
+  1003.5462 C48H81N3O19+ 37 1003.5459 0.35
+  1240.6444 C58H94N7O22+ 22 1240.6446 -0.17
+  1504.7892 C73H110N13O21+ 2 1504.7934 -2.74
+  1532.7851 C74H110N13O22+ 1 1532.7883 -2.07
+PK$NUM_PEAK: 20
+PK$PEAK: m/z int. rel.int.
+  150.0911 5165411.5 612
+  183.1488 464618.7 55
+  192.1013 8423211 999
+  220.096 7143100 847
+  295.2009 751660 89
+  308.1962 1313938.6 155
+  313.2115 2749682.5 326
+  377.2183 1294705.6 153
+  381.2129 528287.7 62
+  395.2283 3874603 459
+  452.2492 848883.2 100
+  478.2656 3675004.5 435
+  526.2877 1735334.2 205
+  706.3657 1844654.9 218
+  805.4797 1607227.6 190
+  827.4245 759784.8 90
+  1003.5462 2939522.5 348
+  1240.6444 1640327.2 194
+  1504.7892 1962856.5 232
+  1532.7851 1796304.9 213
+//
diff --git a/Eawag/MSBNK-EAWAG-ED004105.txt b/Eawag/MSBNK-EAWAG-ED004105.txt
new file mode 100644
index 0000000000..2be748b991
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED004105.txt
@@ -0,0 +1,108 @@
+ACCESSION: MSBNK-EAWAG-ED004105
+RECORD_TITLE: Portoamide A; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1073/pnas.0914343107
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 41
+CH$NAME: Portoamide A
+CH$NAME: 1-((6R,9S,15S,18R,20aS,25aS,34R,40aS,E)-34-(3-amino-3-oxopropyl)-18-((S)-sec-butyl)-12-ethylidene-37-hydroxy-9-((R)-1-hydroxyethyl)-15-(hydroxymethyl)-6-(4-methoxyphenethyl)-5,8,11,14,17,20,25,30,33,36,40-undecaoxooctatriacontahydro-1H,25H-tripyrrolo[1,2-b1:1`,2`-g:1``,2``-j][1,4,7,10,13,16,19,22,25,28,31]undecaazacyclotetratriacontin-38-yl)-4,5-dihydroxy-7-methyloctan-2-yl N-acetyl-N-methyl-L-tyrosinate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C74H109N13O22
+CH$EXACT_MASS: 1531.781012
+CH$SMILES: O=C(NCC(N1[C@H](C(N2[C@H](C(N[C@@H](C(N[C@H](C(N/C(C(N[C@H](C(N[C@@H](C(N3[C@H](C(NC(C4O)CC(CC(C(CC(C)C)O)O)OC([C@@H](N(C(C)=O)C)CC5=CC=C(C=C5)O)=O)=O)CCC3)=O)CCC6=CC=C(OC)C=C6)=O)[C@H](O)C)=O)=C/C)=O)CO)=O)[C@H](CC)C)=O)CCC2)=O)CCC1)=O)[C@H](NC4=O)CCC(N)=O
+CH$IUPAC: InChI=1S/C74H109N13O22/c1-10-40(5)61-69(102)81-52(38-88)66(99)77-48(11-2)65(98)83-62(41(6)89)70(103)79-50(27-22-43-20-25-46(108-9)26-21-43)72(105)86-31-12-15-53(86)67(100)80-51(35-47(36-58(93)57(92)33-39(3)4)109-74(107)56(84(8)42(7)90)34-44-18-23-45(91)24-19-44)63(96)71(104)78-49(28-29-59(75)94)64(97)76-37-60(95)85-30-14-17-55(85)73(106)87-32-13-16-54(87)68(101)82-61/h11,18-21,23-26,39-41,47,49-58,61-63,88-89,91-93,96H,10,12-17,22,27-38H2,1-9H3,(H2,75,94)(H,76,97)(H,77,99)(H,78,104)(H,79,103)(H,80,100)(H,81,102)(H,82,101)(H,83,98)/b48-11+/t40-,41+,47?,49+,50+,51?,52-,53-,54-,55-,56-,57?,58?,61+,62-,63?/m0/s1
+CH$LINK: PUBCHEM CID:146683713
+CH$LINK: INCHIKEY IURIYLBJXOYFRR-CFLUNQOMSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 150-1584
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.056 min
+MS$FOCUSED_ION: BASE_PEAK 766.8974
+MS$FOCUSED_ION: PRECURSOR_M/Z 1532.7883
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0w2c-0953000000-5b0236ebf9068e92da68
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  150.0912 C9H12NO+ 1 150.0913 -1.05
+  153.1021 C8H13N2O+ 1 153.1022 -0.87
+  155.0814 C7H11N2O2+ 1 155.0815 -0.76
+  164.1069 C10H14NO+ 1 164.107 -0.57
+  167.1178 C9H15N2O+ 1 167.1179 -0.37
+  168.1384 C10H18NO+ 1 168.1383 0.79
+  181.0974 C9H13N2O2+ 1 181.0972 1.33
+  183.1488 C10H19N2O+ 1 183.1492 -1.95
+  186.1489 C10H20NO2+ 1 186.1489 0.15
+  192.1015 C9H12N4O+ 2 192.1006 4.74
+  195.1124 C10H15N2O2+ 2 195.1128 -2.27
+  208.1321 C10H16N4O+ 1 208.1319 0.93
+  211.1438 C11H19N2O2+ 2 211.1441 -1.53
+  212.1384 C8H16N6O+ 2 212.138 2.06
+  216.1372 C12H16N4+ 1 216.1369 1
+  216.1595 C11H22NO3+ 1 216.1594 0.59
+  220.0961 C12H14NO3+ 2 220.0968 -3.49
+  226.1429 C12H20NO3+ 2 226.1438 -4.02
+  252.1335 C10H16N6O2+ 2 252.1329 2.12
+  265.1551 H23N7O9+ 3 265.1552 -0.31
+  266.1124 C10H14N6O3+ 2 266.1122 0.8
+  266.1495 C13H20N3O3+ 3 266.1499 -1.75
+  277.1893 C14H23N5O+ 5 277.1897 -1.4
+  280.2012 H32N4O12+ 5 280.2011 0.31
+  295.201 CH33N3O13+ 6 295.2008 0.79
+  298.1756 C14H24N3O4+ 4 298.1761 -1.74
+  308.1961 CH32N4O13+ 7 308.196 0.28
+  313.2116 CH35N3O14+ 6 313.2114 0.64
+  358.2324 C15H30N6O4+ 11 358.2323 0.22
+  381.2133 C3H35N5O15+ 12 381.2124 2.32
+  395.2283 C18H25N11+ 12 395.2289 -1.37
+  439.2184 C19H25N11O2+ 15 439.2187 -0.74
+  478.2659 C9H38N10O12+ 15 478.2665 -1.26
+PK$NUM_PEAK: 33
+PK$PEAK: m/z int. rel.int.
+  150.0912 10898514 999
+  153.1021 530378 48
+  155.0814 2266068.8 207
+  164.1069 1166894.1 106
+  167.1178 866820.9 79
+  168.1384 550749.9 50
+  181.0974 301406.8 27
+  183.1488 3425222 313
+  186.1489 724612.9 66
+  192.1015 9171830 840
+  195.1124 934491.7 85
+  208.1321 549909.9 50
+  211.1438 1786848.6 163
+  212.1384 421541.2 38
+  216.1372 1326079.5 121
+  216.1595 1351107.8 123
+  220.0961 2842886 260
+  226.1429 607387.3 55
+  252.1335 1297794.1 118
+  265.1551 1022424.3 93
+  266.1124 1092127.9 100
+  266.1495 357387.3 32
+  277.1893 599317.9 54
+  280.2012 1016653.8 93
+  295.201 1645226.4 150
+  298.1756 1433877.4 131
+  308.1961 1719507.6 157
+  313.2116 5473748.5 501
+  358.2324 1080430.2 99
+  381.2133 734936.6 67
+  395.2283 1940741.4 177
+  439.2184 334960.8 30
+  478.2659 1543521.9 141
+//
diff --git a/Eawag/MSBNK-EAWAG-ED004106.txt b/Eawag/MSBNK-EAWAG-ED004106.txt
new file mode 100644
index 0000000000..d3b5ea6126
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED004106.txt
@@ -0,0 +1,82 @@
+ACCESSION: MSBNK-EAWAG-ED004106
+RECORD_TITLE: Portoamide A; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1073/pnas.0914343107
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 41
+CH$NAME: Portoamide A
+CH$NAME: 1-((6R,9S,15S,18R,20aS,25aS,34R,40aS,E)-34-(3-amino-3-oxopropyl)-18-((S)-sec-butyl)-12-ethylidene-37-hydroxy-9-((R)-1-hydroxyethyl)-15-(hydroxymethyl)-6-(4-methoxyphenethyl)-5,8,11,14,17,20,25,30,33,36,40-undecaoxooctatriacontahydro-1H,25H-tripyrrolo[1,2-b1:1`,2`-g:1``,2``-j][1,4,7,10,13,16,19,22,25,28,31]undecaazacyclotetratriacontin-38-yl)-4,5-dihydroxy-7-methyloctan-2-yl N-acetyl-N-methyl-L-tyrosinate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C74H109N13O22
+CH$EXACT_MASS: 1531.781012
+CH$SMILES: O=C(NCC(N1[C@H](C(N2[C@H](C(N[C@@H](C(N[C@H](C(N/C(C(N[C@H](C(N[C@@H](C(N3[C@H](C(NC(C4O)CC(CC(C(CC(C)C)O)O)OC([C@@H](N(C(C)=O)C)CC5=CC=C(C=C5)O)=O)=O)CCC3)=O)CCC6=CC=C(OC)C=C6)=O)[C@H](O)C)=O)=C/C)=O)CO)=O)[C@H](CC)C)=O)CCC2)=O)CCC1)=O)[C@H](NC4=O)CCC(N)=O
+CH$IUPAC: InChI=1S/C74H109N13O22/c1-10-40(5)61-69(102)81-52(38-88)66(99)77-48(11-2)65(98)83-62(41(6)89)70(103)79-50(27-22-43-20-25-46(108-9)26-21-43)72(105)86-31-12-15-53(86)67(100)80-51(35-47(36-58(93)57(92)33-39(3)4)109-74(107)56(84(8)42(7)90)34-44-18-23-45(91)24-19-44)63(96)71(104)78-49(28-29-59(75)94)64(97)76-37-60(95)85-30-14-17-55(85)73(106)87-32-13-16-54(87)68(101)82-61/h11,18-21,23-26,39-41,47,49-58,61-63,88-89,91-93,96H,10,12-17,22,27-38H2,1-9H3,(H2,75,94)(H,76,97)(H,77,99)(H,78,104)(H,79,103)(H,80,100)(H,81,102)(H,82,101)(H,83,98)/b48-11+/t40-,41+,47?,49+,50+,51?,52-,53-,54-,55-,56-,57?,58?,61+,62-,63?/m0/s1
+CH$LINK: PUBCHEM CID:146683713
+CH$LINK: INCHIKEY IURIYLBJXOYFRR-CFLUNQOMSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 150-1584
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.056 min
+MS$FOCUSED_ION: BASE_PEAK 766.8974
+MS$FOCUSED_ION: PRECURSOR_M/Z 1532.7883
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0udi-0920000000-33dbc45e7cf5a483a013
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  150.0911 C9H12NO+ 1 150.0913 -1.36
+  151.0942 C2H11N6O2+ 1 151.0938 2.86
+  155.0812 C7H11N2O2+ 1 155.0815 -1.74
+  164.1064 C10H14NO+ 2 164.107 -3.55
+  168.1382 C10H18NO+ 1 168.1383 -0.57
+  171.0761 C7H11N2O3+ 1 171.0764 -2
+  181.0971 C9H13N2O2+ 1 181.0972 -0.27
+  183.1489 C10H19N2O+ 1 183.1492 -1.62
+  186.1485 C10H20NO2+ 1 186.1489 -2.14
+  192.1014 C9H12N4O+ 2 192.1006 4.42
+  195.1126 C10H15N2O2+ 1 195.1128 -1.1
+  198.1484 C11H20NO2+ 2 198.1489 -2.09
+  211.1435 C11H19N2O2+ 2 211.1441 -2.9
+  216.1372 C12H16N4+ 2 216.1369 1.35
+  216.1595 C11H22NO3+ 1 216.1594 0.31
+  226.1431 C12H20NO3+ 2 226.1438 -2.81
+  261.1809 C12H25N2O4+ 1 261.1809 0.07
+  266.1124 C10H14N6O3+ 2 266.1122 0.8
+  313.2116 CH35N3O14+ 6 313.2114 0.64
+  376.1862 C17H24N6O4+ 10 376.1854 2.14
+PK$NUM_PEAK: 20
+PK$PEAK: m/z int. rel.int.
+  150.0911 14880826 999
+  151.0942 275364.4 18
+  155.0812 2824254.5 189
+  164.1064 771339.8 51
+  168.1382 726173.2 48
+  171.0761 480732.7 32
+  181.0971 371999.6 24
+  183.1489 5927812.5 397
+  186.1485 911408.7 61
+  192.1014 4943679 331
+  195.1126 1010711.3 67
+  198.1484 699890.2 46
+  211.1435 1821214.8 122
+  216.1372 1614576.1 108
+  216.1595 2108118 141
+  226.1431 569389.6 38
+  261.1809 853850.9 57
+  266.1124 667797.9 44
+  313.2116 2755142 184
+  376.1862 293633.8 19
+//
diff --git a/Eawag/MSBNK-EAWAG-ED004107.txt b/Eawag/MSBNK-EAWAG-ED004107.txt
new file mode 100644
index 0000000000..5182cea4f4
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED004107.txt
@@ -0,0 +1,80 @@
+ACCESSION: MSBNK-EAWAG-ED004107
+RECORD_TITLE: Portoamide A; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1073/pnas.0914343107
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 41
+CH$NAME: Portoamide A
+CH$NAME: 1-((6R,9S,15S,18R,20aS,25aS,34R,40aS,E)-34-(3-amino-3-oxopropyl)-18-((S)-sec-butyl)-12-ethylidene-37-hydroxy-9-((R)-1-hydroxyethyl)-15-(hydroxymethyl)-6-(4-methoxyphenethyl)-5,8,11,14,17,20,25,30,33,36,40-undecaoxooctatriacontahydro-1H,25H-tripyrrolo[1,2-b1:1`,2`-g:1``,2``-j][1,4,7,10,13,16,19,22,25,28,31]undecaazacyclotetratriacontin-38-yl)-4,5-dihydroxy-7-methyloctan-2-yl N-acetyl-N-methyl-L-tyrosinate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C74H109N13O22
+CH$EXACT_MASS: 1531.781012
+CH$SMILES: O=C(NCC(N1[C@H](C(N2[C@H](C(N[C@@H](C(N[C@H](C(N/C(C(N[C@H](C(N[C@@H](C(N3[C@H](C(NC(C4O)CC(CC(C(CC(C)C)O)O)OC([C@@H](N(C(C)=O)C)CC5=CC=C(C=C5)O)=O)=O)CCC3)=O)CCC6=CC=C(OC)C=C6)=O)[C@H](O)C)=O)=C/C)=O)CO)=O)[C@H](CC)C)=O)CCC2)=O)CCC1)=O)[C@H](NC4=O)CCC(N)=O
+CH$IUPAC: InChI=1S/C74H109N13O22/c1-10-40(5)61-69(102)81-52(38-88)66(99)77-48(11-2)65(98)83-62(41(6)89)70(103)79-50(27-22-43-20-25-46(108-9)26-21-43)72(105)86-31-12-15-53(86)67(100)80-51(35-47(36-58(93)57(92)33-39(3)4)109-74(107)56(84(8)42(7)90)34-44-18-23-45(91)24-19-44)63(96)71(104)78-49(28-29-59(75)94)64(97)76-37-60(95)85-30-14-17-55(85)73(106)87-32-13-16-54(87)68(101)82-61/h11,18-21,23-26,39-41,47,49-58,61-63,88-89,91-93,96H,10,12-17,22,27-38H2,1-9H3,(H2,75,94)(H,76,97)(H,77,99)(H,78,104)(H,79,103)(H,80,100)(H,81,102)(H,82,101)(H,83,98)/b48-11+/t40-,41+,47?,49+,50+,51?,52-,53-,54-,55-,56-,57?,58?,61+,62-,63?/m0/s1
+CH$LINK: PUBCHEM CID:146683713
+CH$LINK: INCHIKEY IURIYLBJXOYFRR-CFLUNQOMSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 150-1584
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.056 min
+MS$FOCUSED_ION: BASE_PEAK 766.8974
+MS$FOCUSED_ION: PRECURSOR_M/Z 1532.7883
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0udi-0910000000-a1d24b1a201305a07e49
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  150.0912 C9H12NO+ 1 150.0913 -1.16
+  151.0944 C2H11N6O2+ 1 151.0938 3.67
+  151.1115 C10H15O+ 1 151.1117 -1.76
+  153.1024 C8H13N2O+ 1 153.1022 0.73
+  155.0813 C7H11N2O2+ 1 155.0815 -1.45
+  163.1109 C9H13N3+ 1 163.1104 3.14
+  167.1179 C9H15N2O+ 1 167.1179 0.36
+  171.0764 C7H11N2O3+ 1 171.0764 -0.31
+  180.138 C11H18NO+ 1 180.1383 -1.5
+  183.1489 C10H19N2O+ 1 183.1492 -1.45
+  186.1482 C10H20NO2+ 2 186.1489 -3.46
+  192.1014 C9H12N4O+ 2 192.1006 4.5
+  198.1487 C11H20NO2+ 1 198.1489 -0.86
+  208.1325 C10H16N4O+ 2 208.1319 2.91
+  211.1433 C11H19N2O2+ 2 211.1441 -3.7
+  216.1374 C12H16N4+ 2 216.1369 2.05
+  216.1597 C11H22NO3+ 1 216.1594 1.44
+  267.2054 C13H25N5O+ 3 267.2054 0.12
+  313.2114 CH35N3O14+ 6 313.2114 0.16
+PK$NUM_PEAK: 19
+PK$PEAK: m/z int. rel.int.
+  150.0912 15901987 999
+  151.0944 268511.3 16
+  151.1115 418703.9 26
+  153.1024 512127 32
+  155.0813 1468923.6 92
+  163.1109 450508.2 28
+  167.1179 573261.2 36
+  171.0764 358128.7 22
+  180.138 460775.1 28
+  183.1489 4100622.8 257
+  186.1482 471183.2 29
+  192.1014 1628119.5 102
+  198.1487 415927 26
+  208.1325 397162.6 24
+  211.1433 521021.1 32
+  216.1374 1099562.8 69
+  216.1597 1167949.2 73
+  267.2054 188505.8 11
+  313.2114 596380 37
+//
diff --git a/Eawag/MSBNK-EAWAG-ED004108.txt b/Eawag/MSBNK-EAWAG-ED004108.txt
new file mode 100644
index 0000000000..0bd0ace54a
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED004108.txt
@@ -0,0 +1,54 @@
+ACCESSION: MSBNK-EAWAG-ED004108
+RECORD_TITLE: Portoamide A; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1073/pnas.0914343107
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 41
+CH$NAME: Portoamide A
+CH$NAME: 1-((6R,9S,15S,18R,20aS,25aS,34R,40aS,E)-34-(3-amino-3-oxopropyl)-18-((S)-sec-butyl)-12-ethylidene-37-hydroxy-9-((R)-1-hydroxyethyl)-15-(hydroxymethyl)-6-(4-methoxyphenethyl)-5,8,11,14,17,20,25,30,33,36,40-undecaoxooctatriacontahydro-1H,25H-tripyrrolo[1,2-b1:1`,2`-g:1``,2``-j][1,4,7,10,13,16,19,22,25,28,31]undecaazacyclotetratriacontin-38-yl)-4,5-dihydroxy-7-methyloctan-2-yl N-acetyl-N-methyl-L-tyrosinate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C74H109N13O22
+CH$EXACT_MASS: 1531.781012
+CH$SMILES: O=C(NCC(N1[C@H](C(N2[C@H](C(N[C@@H](C(N[C@H](C(N/C(C(N[C@H](C(N[C@@H](C(N3[C@H](C(NC(C4O)CC(CC(C(CC(C)C)O)O)OC([C@@H](N(C(C)=O)C)CC5=CC=C(C=C5)O)=O)=O)CCC3)=O)CCC6=CC=C(OC)C=C6)=O)[C@H](O)C)=O)=C/C)=O)CO)=O)[C@H](CC)C)=O)CCC2)=O)CCC1)=O)[C@H](NC4=O)CCC(N)=O
+CH$IUPAC: InChI=1S/C74H109N13O22/c1-10-40(5)61-69(102)81-52(38-88)66(99)77-48(11-2)65(98)83-62(41(6)89)70(103)79-50(27-22-43-20-25-46(108-9)26-21-43)72(105)86-31-12-15-53(86)67(100)80-51(35-47(36-58(93)57(92)33-39(3)4)109-74(107)56(84(8)42(7)90)34-44-18-23-45(91)24-19-44)63(96)71(104)78-49(28-29-59(75)94)64(97)76-37-60(95)85-30-14-17-55(85)73(106)87-32-13-16-54(87)68(101)82-61/h11,18-21,23-26,39-41,47,49-58,61-63,88-89,91-93,96H,10,12-17,22,27-38H2,1-9H3,(H2,75,94)(H,76,97)(H,77,99)(H,78,104)(H,79,103)(H,80,100)(H,81,102)(H,82,101)(H,83,98)/b48-11+/t40-,41+,47?,49+,50+,51?,52-,53-,54-,55-,56-,57?,58?,61+,62-,63?/m0/s1
+CH$LINK: PUBCHEM CID:146683713
+CH$LINK: INCHIKEY IURIYLBJXOYFRR-CFLUNQOMSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 150-1584
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.056 min
+MS$FOCUSED_ION: BASE_PEAK 766.8974
+MS$FOCUSED_ION: PRECURSOR_M/Z 1532.7883
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0udi-0900000000-9c64d1c4ec6acd56480e
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  150.0912 C9H12NO+ 1 150.0913 -1.26
+  155.0813 C7H11N2O2+ 1 155.0815 -1.25
+  165.054 C9H9O3+ 2 165.0546 -3.63
+  183.1488 C10H19N2O+ 1 183.1492 -1.87
+  198.1485 C11H20NO2+ 2 198.1489 -2.01
+  216.1596 C11H22NO3+ 1 216.1594 0.8
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  150.0912 12489891 999
+  155.0813 768225.4 61
+  165.054 174080.8 13
+  183.1488 1470543.1 117
+  198.1485 227294.2 18
+  216.1596 340276.6 27
+//
diff --git a/Eawag/MSBNK-EAWAG-ED004109.txt b/Eawag/MSBNK-EAWAG-ED004109.txt
new file mode 100644
index 0000000000..314a4ea1d1
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED004109.txt
@@ -0,0 +1,60 @@
+ACCESSION: MSBNK-EAWAG-ED004109
+RECORD_TITLE: Portoamide A; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1073/pnas.0914343107
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 41
+CH$NAME: Portoamide A
+CH$NAME: 1-((6R,9S,15S,18R,20aS,25aS,34R,40aS,E)-34-(3-amino-3-oxopropyl)-18-((S)-sec-butyl)-12-ethylidene-37-hydroxy-9-((R)-1-hydroxyethyl)-15-(hydroxymethyl)-6-(4-methoxyphenethyl)-5,8,11,14,17,20,25,30,33,36,40-undecaoxooctatriacontahydro-1H,25H-tripyrrolo[1,2-b1:1`,2`-g:1``,2``-j][1,4,7,10,13,16,19,22,25,28,31]undecaazacyclotetratriacontin-38-yl)-4,5-dihydroxy-7-methyloctan-2-yl N-acetyl-N-methyl-L-tyrosinate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C74H109N13O22
+CH$EXACT_MASS: 1531.781012
+CH$SMILES: O=C(NCC(N1[C@H](C(N2[C@H](C(N[C@@H](C(N[C@H](C(N/C(C(N[C@H](C(N[C@@H](C(N3[C@H](C(NC(C4O)CC(CC(C(CC(C)C)O)O)OC([C@@H](N(C(C)=O)C)CC5=CC=C(C=C5)O)=O)=O)CCC3)=O)CCC6=CC=C(OC)C=C6)=O)[C@H](O)C)=O)=C/C)=O)CO)=O)[C@H](CC)C)=O)CCC2)=O)CCC1)=O)[C@H](NC4=O)CCC(N)=O
+CH$IUPAC: InChI=1S/C74H109N13O22/c1-10-40(5)61-69(102)81-52(38-88)66(99)77-48(11-2)65(98)83-62(41(6)89)70(103)79-50(27-22-43-20-25-46(108-9)26-21-43)72(105)86-31-12-15-53(86)67(100)80-51(35-47(36-58(93)57(92)33-39(3)4)109-74(107)56(84(8)42(7)90)34-44-18-23-45(91)24-19-44)63(96)71(104)78-49(28-29-59(75)94)64(97)76-37-60(95)85-30-14-17-55(85)73(106)87-32-13-16-54(87)68(101)82-61/h11,18-21,23-26,39-41,47,49-58,61-63,88-89,91-93,96H,10,12-17,22,27-38H2,1-9H3,(H2,75,94)(H,76,97)(H,77,99)(H,78,104)(H,79,103)(H,80,100)(H,81,102)(H,82,101)(H,83,98)/b48-11+/t40-,41+,47?,49+,50+,51?,52-,53-,54-,55-,56-,57?,58?,61+,62-,63?/m0/s1
+CH$LINK: PUBCHEM CID:146683713
+CH$LINK: INCHIKEY IURIYLBJXOYFRR-CFLUNQOMSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 150-1584
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.056 min
+MS$FOCUSED_ION: BASE_PEAK 766.8974
+MS$FOCUSED_ION: PRECURSOR_M/Z 1532.7883
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0udi-0900000000-e1bdd9442c0154e1ac17
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  150.0912 C9H12NO+ 1 150.0913 -0.85
+  153.0659 C7H9N2O2+ 1 153.0659 0.48
+  153.1024 C8H13N2O+ 1 153.1022 0.92
+  155.0814 C7H11N2O2+ 1 155.0815 -0.86
+  181.0605 C8H9N2O3+ 1 181.0608 -1.4
+  183.076 C8H11N2O3+ 2 183.0764 -2.44
+  183.1486 C10H19N2O+ 2 183.1492 -2.95
+  195.1126 C10H15N2O2+ 1 195.1128 -1.26
+  216.1367 C12H16N4+ 1 216.1369 -0.98
+PK$NUM_PEAK: 9
+PK$PEAK: m/z int. rel.int.
+  150.0912 11729071 999
+  153.0659 185021.6 15
+  153.1024 306244.1 26
+  155.0814 634735.9 54
+  181.0605 155444.4 13
+  183.076 192876 16
+  183.1486 1293557 110
+  195.1126 157808.7 13
+  216.1367 522300.3 44
+//
diff --git a/Eawag/MSBNK-EAWAG-ED004201.txt b/Eawag/MSBNK-EAWAG-ED004201.txt
new file mode 100644
index 0000000000..eac48d5adc
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED004201.txt
@@ -0,0 +1,56 @@
+ACCESSION: MSBNK-EAWAG-ED004201
+RECORD_TITLE: Portoamide B; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1073/pnas.0914343107
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 42
+CH$NAME: Portoamide B
+CH$NAME: 1-((6R,9S,15S,18R,20aS,25aS,34R,40aS,E)-34-(3-amino-3-oxopropyl)-18-((S)-sec-butyl)-12-ethylidene-37-hydroxy-9-((R)-1-hydroxyethyl)-15-(hydroxymethyl)-5,8,11,14,17,20,25,30,33,36,40-undecaoxo-6-phenethyloctatriacontahydro-1H,25H-tripyrrolo[1,2-b1:1`,2`-g:1``,2``-j][1,4,7,10,13,16,19,22,25,28,31]undecaazacyclotetratriacontin-38-yl)-4,5-dihydroxy-7-methyloctan-2-yl N-acetyl-N-methyl-L-tyrosinate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C73H107N13O21
+CH$EXACT_MASS: 1501.770447
+CH$SMILES: O=C(NCC(N1[C@H](C(N2[C@H](C(N[C@@H](C(N[C@H](C(N/C(C(N[C@H](C(N[C@@H](C(N3[C@H](C(NC(C4O)CC(CC(C(CC(C)C)O)O)OC([C@@H](N(C(C)=O)C)CC5=CC=C(C=C5)O)=O)=O)CCC3)=O)CCC6=CC=CC=C6)=O)[C@H](O)C)=O)=C/C)=O)CO)=O)[C@H](CC)C)=O)CCC2)=O)CCC1)=O)[C@H](NC4=O)CCC(N)=O
+CH$IUPAC: InChI=1S/C73H107N13O21/c1-9-40(5)60-68(101)80-51(38-87)65(98)76-47(10-2)64(97)82-61(41(6)88)69(102)78-49(27-24-43-17-12-11-13-18-43)71(104)85-31-14-19-52(85)66(99)79-50(35-46(36-57(92)56(91)33-39(3)4)107-73(106)55(83(8)42(7)89)34-44-22-25-45(90)26-23-44)62(95)70(103)77-48(28-29-58(74)93)63(96)75-37-59(94)84-30-16-21-54(84)72(105)86-32-15-20-53(86)67(100)81-60/h10-13,17-18,22-23,25-26,39-41,46,48-57,60-62,87-88,90-92,95H,9,14-16,19-21,24,27-38H2,1-8H3,(H2,74,93)(H,75,96)(H,76,98)(H,77,103)(H,78,102)(H,79,99)(H,80,101)(H,81,100)(H,82,97)/b47-10+/t40-,41+,46?,48+,49+,50?,51-,52-,53-,54-,55-,56?,57?,60+,61-,62?/m0/s1
+CH$LINK: PUBCHEM CID:146683714
+CH$LINK: INCHIKEY XCGGFKXEWPNQFS-ABXPXLQLSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 150-1554
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.480 min
+MS$FOCUSED_ION: BASE_PEAK 751.8918
+MS$FOCUSED_ION: PRECURSOR_M/Z 1502.7777
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0udi-0010190000-6334ea11571cd43784a1
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  1265.6757 C73H89N10O10+ 17 1265.6758 -0.05
+  1266.6723 C60H92N13O17+ 17 1266.6729 -0.46
+  1283.6857 C61H95N12O18+ 15 1283.6882 -1.92
+  1467.7405 C73H103N12O20+ 1 1467.7406 -0.06
+  1484.7668 C73H106N13O20+ 1 1484.7672 -0.26
+  1485.7542 C73H105N12O21+ 1 1485.7512 2.04
+  1502.7758 C73H108N13O21+ 1 1502.7777 -1.27
+PK$NUM_PEAK: 7
+PK$PEAK: m/z int. rel.int.
+  1265.6757 7401718.5 95
+  1266.6723 773170.6 10
+  1283.6857 2705392.2 34
+  1467.7405 952431.7 12
+  1484.7668 8320206.5 107
+  1485.7542 3107137.5 40
+  1502.7758 77233808 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED004202.txt b/Eawag/MSBNK-EAWAG-ED004202.txt
new file mode 100644
index 0000000000..e557f43714
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED004202.txt
@@ -0,0 +1,72 @@
+ACCESSION: MSBNK-EAWAG-ED004202
+RECORD_TITLE: Portoamide B; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1073/pnas.0914343107
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 42
+CH$NAME: Portoamide B
+CH$NAME: 1-((6R,9S,15S,18R,20aS,25aS,34R,40aS,E)-34-(3-amino-3-oxopropyl)-18-((S)-sec-butyl)-12-ethylidene-37-hydroxy-9-((R)-1-hydroxyethyl)-15-(hydroxymethyl)-5,8,11,14,17,20,25,30,33,36,40-undecaoxo-6-phenethyloctatriacontahydro-1H,25H-tripyrrolo[1,2-b1:1`,2`-g:1``,2``-j][1,4,7,10,13,16,19,22,25,28,31]undecaazacyclotetratriacontin-38-yl)-4,5-dihydroxy-7-methyloctan-2-yl N-acetyl-N-methyl-L-tyrosinate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C73H107N13O21
+CH$EXACT_MASS: 1501.770447
+CH$SMILES: O=C(NCC(N1[C@H](C(N2[C@H](C(N[C@@H](C(N[C@H](C(N/C(C(N[C@H](C(N[C@@H](C(N3[C@H](C(NC(C4O)CC(CC(C(CC(C)C)O)O)OC([C@@H](N(C(C)=O)C)CC5=CC=C(C=C5)O)=O)=O)CCC3)=O)CCC6=CC=CC=C6)=O)[C@H](O)C)=O)=C/C)=O)CO)=O)[C@H](CC)C)=O)CCC2)=O)CCC1)=O)[C@H](NC4=O)CCC(N)=O
+CH$IUPAC: InChI=1S/C73H107N13O21/c1-9-40(5)60-68(101)80-51(38-87)65(98)76-47(10-2)64(97)82-61(41(6)88)69(102)78-49(27-24-43-17-12-11-13-18-43)71(104)85-31-14-19-52(85)66(99)79-50(35-46(36-57(92)56(91)33-39(3)4)107-73(106)55(83(8)42(7)89)34-44-22-25-45(90)26-23-44)62(95)70(103)77-48(28-29-58(74)93)63(96)75-37-59(94)84-30-16-21-54(84)72(105)86-32-15-20-53(86)67(100)81-60/h10-13,17-18,22-23,25-26,39-41,46,48-57,60-62,87-88,90-92,95H,9,14-16,19-21,24,27-38H2,1-8H3,(H2,74,93)(H,75,96)(H,76,98)(H,77,103)(H,78,102)(H,79,99)(H,80,101)(H,81,100)(H,82,97)/b47-10+/t40-,41+,46?,48+,49+,50?,51-,52-,53-,54-,55-,56?,57?,60+,61-,62?/m0/s1
+CH$LINK: PUBCHEM CID:146683714
+CH$LINK: INCHIKEY XCGGFKXEWPNQFS-ABXPXLQLSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 150-1554
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.480 min
+MS$FOCUSED_ION: BASE_PEAK 751.8918
+MS$FOCUSED_ION: PRECURSOR_M/Z 1502.7777
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0udi-0040390000-f6fe876b5b1ec3dd5129
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  164.9779 C2HN2O7+ 1 164.9778 0.7
+  192.1014 C9H12N4O+ 2 192.1006 4.26
+  220.096 C10H12N4O2+ 2 220.0955 2.54
+  395.2285 C18H25N11+ 12 395.2289 -0.99
+  1230.6431 C62H94N4O21+ 20 1230.6405 2.09
+  1240.6448 C72H92N2O16+ 19 1240.6441 0.53
+  1265.6757 C73H89N10O10+ 17 1265.6758 -0.05
+  1266.6726 C60H92N13O17+ 17 1266.6729 -0.17
+  1283.6875 C61H95N12O18+ 15 1283.6882 -0.49
+  1466.7581 C73H104N13O19+ 1 1466.7566 1.02
+  1467.7412 C73H103N12O20+ 1 1467.7406 0.44
+  1474.7861 C72H108N13O20+ 1 1474.7828 2.2
+  1484.7663 C73H106N13O20+ 1 1484.7672 -0.59
+  1485.7536 C73H105N12O21+ 1 1485.7512 1.63
+  1502.7762 C73H108N13O21+ 1 1502.7777 -1.03
+PK$NUM_PEAK: 15
+PK$PEAK: m/z int. rel.int.
+  164.9779 527200.8 10
+  192.1014 991604.8 20
+  220.096 2587068 53
+  395.2285 1218860.1 25
+  1230.6431 846749.2 17
+  1240.6448 908929.9 18
+  1265.6757 13073925 269
+  1266.6726 1730963.8 35
+  1283.6875 2851626 58
+  1466.7581 1248991.2 25
+  1467.7412 1420782 29
+  1474.7861 1004825.2 20
+  1484.7663 11103739 229
+  1485.7536 3672415.2 75
+  1502.7762 48404244 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED004203.txt b/Eawag/MSBNK-EAWAG-ED004203.txt
new file mode 100644
index 0000000000..bbb1e12b78
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED004203.txt
@@ -0,0 +1,76 @@
+ACCESSION: MSBNK-EAWAG-ED004203
+RECORD_TITLE: Portoamide B; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1073/pnas.0914343107
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 42
+CH$NAME: Portoamide B
+CH$NAME: 1-((6R,9S,15S,18R,20aS,25aS,34R,40aS,E)-34-(3-amino-3-oxopropyl)-18-((S)-sec-butyl)-12-ethylidene-37-hydroxy-9-((R)-1-hydroxyethyl)-15-(hydroxymethyl)-5,8,11,14,17,20,25,30,33,36,40-undecaoxo-6-phenethyloctatriacontahydro-1H,25H-tripyrrolo[1,2-b1:1`,2`-g:1``,2``-j][1,4,7,10,13,16,19,22,25,28,31]undecaazacyclotetratriacontin-38-yl)-4,5-dihydroxy-7-methyloctan-2-yl N-acetyl-N-methyl-L-tyrosinate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C73H107N13O21
+CH$EXACT_MASS: 1501.770447
+CH$SMILES: O=C(NCC(N1[C@H](C(N2[C@H](C(N[C@@H](C(N[C@H](C(N/C(C(N[C@H](C(N[C@@H](C(N3[C@H](C(NC(C4O)CC(CC(C(CC(C)C)O)O)OC([C@@H](N(C(C)=O)C)CC5=CC=C(C=C5)O)=O)=O)CCC3)=O)CCC6=CC=CC=C6)=O)[C@H](O)C)=O)=C/C)=O)CO)=O)[C@H](CC)C)=O)CCC2)=O)CCC1)=O)[C@H](NC4=O)CCC(N)=O
+CH$IUPAC: InChI=1S/C73H107N13O21/c1-9-40(5)60-68(101)80-51(38-87)65(98)76-47(10-2)64(97)82-61(41(6)88)69(102)78-49(27-24-43-17-12-11-13-18-43)71(104)85-31-14-19-52(85)66(99)79-50(35-46(36-57(92)56(91)33-39(3)4)107-73(106)55(83(8)42(7)89)34-44-22-25-45(90)26-23-44)62(95)70(103)77-48(28-29-58(74)93)63(96)75-37-59(94)84-30-16-21-54(84)72(105)86-32-15-20-53(86)67(100)81-60/h10-13,17-18,22-23,25-26,39-41,46,48-57,60-62,87-88,90-92,95H,9,14-16,19-21,24,27-38H2,1-8H3,(H2,74,93)(H,75,96)(H,76,98)(H,77,103)(H,78,102)(H,79,99)(H,80,101)(H,81,100)(H,82,97)/b47-10+/t40-,41+,46?,48+,49+,50?,51-,52-,53-,54-,55-,56?,57?,60+,61-,62?/m0/s1
+CH$LINK: PUBCHEM CID:146683714
+CH$LINK: INCHIKEY XCGGFKXEWPNQFS-ABXPXLQLSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 150-1554
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.480 min
+MS$FOCUSED_ION: BASE_PEAK 751.8918
+MS$FOCUSED_ION: PRECURSOR_M/Z 1502.7777
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0uxr-0291560000-772e5d84492c314dbe2d
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  150.091 C9H12NO+ 1 150.0913 -2.17
+  192.1014 C9H12N4O+ 2 192.1006 4.1
+  220.096 C10H12N4O2+ 2 220.0955 2.54
+  377.2178 C4H35N5O14+ 11 377.2175 0.89
+  395.2283 C18H25N11+ 12 395.2289 -1.37
+  478.2653 C8H42N6O16+ 15 478.2652 0.26
+  706.366 C34H52N5O11+ 23 706.3658 0.26
+  1229.6581 C64H87N13O12+ 21 1229.6592 -0.87
+  1240.6448 C72H92N2O16+ 19 1240.6441 0.53
+  1265.6761 C60H97N8O21+ 17 1265.6763 -0.17
+  1266.6731 C60H92N13O17+ 17 1266.6729 0.21
+  1283.6858 C61H95N12O18+ 17 1283.6882 -1.82
+  1466.7535 C73H104N13O19+ 1 1466.7566 -2.14
+  1467.7421 C73H103N12O20+ 1 1467.7406 1.02
+  1474.7815 C72H108N13O20+ 1 1474.7828 -0.86
+  1484.7665 C73H106N13O20+ 1 1484.7672 -0.42
+  1502.7772 C73H108N13O21+ 1 1502.7777 -0.38
+PK$NUM_PEAK: 17
+PK$PEAK: m/z int. rel.int.
+  150.091 1270635.4 111
+  192.1014 2729433.8 238
+  220.096 3945476.2 345
+  377.2178 603819.4 52
+  395.2283 1971344.4 172
+  478.2653 1052732.9 92
+  706.366 860749.9 75
+  1229.6581 797768.2 69
+  1240.6448 2104343.5 184
+  1265.6761 7217154 631
+  1266.6731 937391.1 82
+  1283.6858 1209456.6 105
+  1466.7535 979349.8 85
+  1467.7421 575710.1 50
+  1474.7815 2080767 182
+  1484.7665 4735230 414
+  1502.7772 11419950 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED004204.txt b/Eawag/MSBNK-EAWAG-ED004204.txt
new file mode 100644
index 0000000000..182bd3a520
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED004204.txt
@@ -0,0 +1,78 @@
+ACCESSION: MSBNK-EAWAG-ED004204
+RECORD_TITLE: Portoamide B; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1073/pnas.0914343107
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 42
+CH$NAME: Portoamide B
+CH$NAME: 1-((6R,9S,15S,18R,20aS,25aS,34R,40aS,E)-34-(3-amino-3-oxopropyl)-18-((S)-sec-butyl)-12-ethylidene-37-hydroxy-9-((R)-1-hydroxyethyl)-15-(hydroxymethyl)-5,8,11,14,17,20,25,30,33,36,40-undecaoxo-6-phenethyloctatriacontahydro-1H,25H-tripyrrolo[1,2-b1:1`,2`-g:1``,2``-j][1,4,7,10,13,16,19,22,25,28,31]undecaazacyclotetratriacontin-38-yl)-4,5-dihydroxy-7-methyloctan-2-yl N-acetyl-N-methyl-L-tyrosinate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C73H107N13O21
+CH$EXACT_MASS: 1501.770447
+CH$SMILES: O=C(NCC(N1[C@H](C(N2[C@H](C(N[C@@H](C(N[C@H](C(N/C(C(N[C@H](C(N[C@@H](C(N3[C@H](C(NC(C4O)CC(CC(C(CC(C)C)O)O)OC([C@@H](N(C(C)=O)C)CC5=CC=C(C=C5)O)=O)=O)CCC3)=O)CCC6=CC=CC=C6)=O)[C@H](O)C)=O)=C/C)=O)CO)=O)[C@H](CC)C)=O)CCC2)=O)CCC1)=O)[C@H](NC4=O)CCC(N)=O
+CH$IUPAC: InChI=1S/C73H107N13O21/c1-9-40(5)60-68(101)80-51(38-87)65(98)76-47(10-2)64(97)82-61(41(6)88)69(102)78-49(27-24-43-17-12-11-13-18-43)71(104)85-31-14-19-52(85)66(99)79-50(35-46(36-57(92)56(91)33-39(3)4)107-73(106)55(83(8)42(7)89)34-44-22-25-45(90)26-23-44)62(95)70(103)77-48(28-29-58(74)93)63(96)75-37-59(94)84-30-16-21-54(84)72(105)86-32-15-20-53(86)67(100)81-60/h10-13,17-18,22-23,25-26,39-41,46,48-57,60-62,87-88,90-92,95H,9,14-16,19-21,24,27-38H2,1-8H3,(H2,74,93)(H,75,96)(H,76,98)(H,77,103)(H,78,102)(H,79,99)(H,80,101)(H,81,100)(H,82,97)/b47-10+/t40-,41+,46?,48+,49+,50?,51-,52-,53-,54-,55-,56?,57?,60+,61-,62?/m0/s1
+CH$LINK: PUBCHEM CID:146683714
+CH$LINK: INCHIKEY XCGGFKXEWPNQFS-ABXPXLQLSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 150-1554
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.480 min
+MS$FOCUSED_ION: BASE_PEAK 751.8918
+MS$FOCUSED_ION: PRECURSOR_M/Z 1502.7777
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0g6u-0965620100-fc69a2b77e2a628e2e3c
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  150.0911 C9H12NO+ 1 150.0913 -1.36
+  186.1274 C13H16N+ 1 186.1277 -1.67
+  192.1014 C9H12N4O+ 2 192.1006 4.34
+  220.0961 C10H12N4O2+ 2 220.0955 2.61
+  295.2016 C16H27N2O3+ 6 295.2016 -0.05
+  313.2117 CH35N3O14+ 6 313.2114 1.03
+  358.2334 C16H26N10+ 9 358.2336 -0.7
+  377.2179 C4H35N5O14+ 11 377.2175 0.97
+  395.228 C18H25N11+ 12 395.2289 -2.14
+  451.2552 C7H41N5O16+ 14 451.2543 2
+  469.2655 C21H31N11O2+ 15 469.2657 -0.4
+  478.2654 C37H34+ 15 478.2655 -0.16
+  526.2872 C24H40N5O8+ 17 526.2871 0.18
+  623.3407 C12H51N10O18+ 19 623.3377 4.76
+  706.3659 C34H52N5O11+ 23 706.3658 0.17
+  1265.6764 C60H97N8O21+ 17 1265.6763 0.12
+  1474.7807 C72H108N13O20+ 1 1474.7828 -1.44
+  1502.7774 C73H108N13O21+ 1 1502.7777 -0.21
+PK$NUM_PEAK: 18
+PK$PEAK: m/z int. rel.int.
+  150.0911 2429568.8 580
+  186.1274 113028.4 27
+  192.1014 4181205.8 999
+  220.0961 3610820 862
+  295.2016 338996 80
+  313.2117 1188865.5 284
+  358.2334 557093.6 133
+  377.2179 765294.2 182
+  395.228 1954575 466
+  451.2552 455970.2 108
+  469.2655 1738831.1 415
+  478.2654 1878345.9 448
+  526.2872 843386.7 201
+  623.3407 566823.9 135
+  706.3659 807998.8 193
+  1265.6764 1236106.1 295
+  1474.7807 865459.4 206
+  1502.7774 803118.7 191
+//
diff --git a/Eawag/MSBNK-EAWAG-ED004205.txt b/Eawag/MSBNK-EAWAG-ED004205.txt
new file mode 100644
index 0000000000..68b0eb7d29
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED004205.txt
@@ -0,0 +1,98 @@
+ACCESSION: MSBNK-EAWAG-ED004205
+RECORD_TITLE: Portoamide B; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1073/pnas.0914343107
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 42
+CH$NAME: Portoamide B
+CH$NAME: 1-((6R,9S,15S,18R,20aS,25aS,34R,40aS,E)-34-(3-amino-3-oxopropyl)-18-((S)-sec-butyl)-12-ethylidene-37-hydroxy-9-((R)-1-hydroxyethyl)-15-(hydroxymethyl)-5,8,11,14,17,20,25,30,33,36,40-undecaoxo-6-phenethyloctatriacontahydro-1H,25H-tripyrrolo[1,2-b1:1`,2`-g:1``,2``-j][1,4,7,10,13,16,19,22,25,28,31]undecaazacyclotetratriacontin-38-yl)-4,5-dihydroxy-7-methyloctan-2-yl N-acetyl-N-methyl-L-tyrosinate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C73H107N13O21
+CH$EXACT_MASS: 1501.770447
+CH$SMILES: O=C(NCC(N1[C@H](C(N2[C@H](C(N[C@@H](C(N[C@H](C(N/C(C(N[C@H](C(N[C@@H](C(N3[C@H](C(NC(C4O)CC(CC(C(CC(C)C)O)O)OC([C@@H](N(C(C)=O)C)CC5=CC=C(C=C5)O)=O)=O)CCC3)=O)CCC6=CC=CC=C6)=O)[C@H](O)C)=O)=C/C)=O)CO)=O)[C@H](CC)C)=O)CCC2)=O)CCC1)=O)[C@H](NC4=O)CCC(N)=O
+CH$IUPAC: InChI=1S/C73H107N13O21/c1-9-40(5)60-68(101)80-51(38-87)65(98)76-47(10-2)64(97)82-61(41(6)88)69(102)78-49(27-24-43-17-12-11-13-18-43)71(104)85-31-14-19-52(85)66(99)79-50(35-46(36-57(92)56(91)33-39(3)4)107-73(106)55(83(8)42(7)89)34-44-22-25-45(90)26-23-44)62(95)70(103)77-48(28-29-58(74)93)63(96)75-37-59(94)84-30-16-21-54(84)72(105)86-32-15-20-53(86)67(100)81-60/h10-13,17-18,22-23,25-26,39-41,46,48-57,60-62,87-88,90-92,95H,9,14-16,19-21,24,27-38H2,1-8H3,(H2,74,93)(H,75,96)(H,76,98)(H,77,103)(H,78,102)(H,79,99)(H,80,101)(H,81,100)(H,82,97)/b47-10+/t40-,41+,46?,48+,49+,50?,51-,52-,53-,54-,55-,56?,57?,60+,61-,62?/m0/s1
+CH$LINK: PUBCHEM CID:146683714
+CH$LINK: INCHIKEY XCGGFKXEWPNQFS-ABXPXLQLSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 150-1554
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.480 min
+MS$FOCUSED_ION: BASE_PEAK 751.8918
+MS$FOCUSED_ION: PRECURSOR_M/Z 1502.7777
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0w2c-0942000000-e66904a3b33a7cb7fb00
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  150.0912 C9H12NO+ 1 150.0913 -1.26
+  153.1021 C8H13N2O+ 1 153.1022 -1.07
+  155.0813 C7H11N2O2+ 1 155.0815 -1.15
+  167.1177 C9H15N2O+ 1 167.1179 -1.28
+  171.0762 C7H11N2O3+ 1 171.0764 -1.2
+  181.0973 C9H13N2O2+ 1 181.0972 0.74
+  183.1488 C10H19N2O+ 1 183.1492 -1.87
+  186.1272 C13H16N+ 1 186.1277 -2.9
+  192.1015 C9H12N4O+ 2 192.1006 4.74
+  195.1121 C10H15N2O2+ 2 195.1128 -3.45
+  198.1484 C11H20NO2+ 2 198.1489 -2.48
+  208.1323 C12H18NO2+ 2 208.1332 -4.5
+  211.1437 C11H19N2O2+ 2 211.1441 -1.96
+  212.1386 C10H18N3O2+ 2 212.1394 -3.69
+  216.1589 C11H22NO3+ 2 216.1594 -2.52
+  220.0961 C10H12N4O2+ 2 220.0955 2.68
+  226.143 C10H18N4O2+ 2 226.1424 2.39
+  235.1434 C13H19N2O2+ 3 235.1441 -2.79
+  252.1336 C12H18N3O3+ 2 252.1343 -2.66
+  266.1123 C10H14N6O3+ 2 266.1122 0.46
+  280.1637 C12H20N6O2+ 3 280.1642 -1.75
+  280.2011 H32N4O12+ 5 280.2011 0.09
+  298.1756 C14H24N3O4+ 4 298.1761 -1.95
+  308.1961 CH32N4O13+ 7 308.196 0.18
+  313.2115 CH35N3O14+ 6 313.2114 0.55
+  395.2287 C18H25N11+ 10 395.2289 -0.45
+  469.2654 C21H31N11O2+ 15 469.2657 -0.66
+  478.2656 C37H34+ 17 478.2655 0.23
+PK$NUM_PEAK: 28
+PK$PEAK: m/z int. rel.int.
+  150.0912 4906943 999
+  153.1021 184918.8 37
+  155.0813 1142104.8 232
+  167.1177 308528.6 62
+  171.0762 124188.6 25
+  181.0973 180835 36
+  183.1488 1585474.8 322
+  186.1272 684806 139
+  192.1015 4042924.8 823
+  195.1121 362165.1 73
+  198.1484 189288.5 38
+  208.1323 243481 49
+  211.1437 896691.9 182
+  212.1386 165749.4 33
+  216.1589 715059.5 145
+  220.0961 1216410.4 247
+  226.143 243501.1 49
+  235.1434 481768.8 98
+  252.1336 580157.4 118
+  266.1123 469392.4 95
+  280.1637 286493.4 58
+  280.2011 459851.4 93
+  298.1756 659988 134
+  308.1961 669342 136
+  313.2115 2491131.8 507
+  395.2287 796459.1 162
+  469.2654 545674.9 111
+  478.2656 693506.3 141
+//
diff --git a/Eawag/MSBNK-EAWAG-ED004206.txt b/Eawag/MSBNK-EAWAG-ED004206.txt
new file mode 100644
index 0000000000..572278a326
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED004206.txt
@@ -0,0 +1,98 @@
+ACCESSION: MSBNK-EAWAG-ED004206
+RECORD_TITLE: Portoamide B; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1073/pnas.0914343107
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 42
+CH$NAME: Portoamide B
+CH$NAME: 1-((6R,9S,15S,18R,20aS,25aS,34R,40aS,E)-34-(3-amino-3-oxopropyl)-18-((S)-sec-butyl)-12-ethylidene-37-hydroxy-9-((R)-1-hydroxyethyl)-15-(hydroxymethyl)-5,8,11,14,17,20,25,30,33,36,40-undecaoxo-6-phenethyloctatriacontahydro-1H,25H-tripyrrolo[1,2-b1:1`,2`-g:1``,2``-j][1,4,7,10,13,16,19,22,25,28,31]undecaazacyclotetratriacontin-38-yl)-4,5-dihydroxy-7-methyloctan-2-yl N-acetyl-N-methyl-L-tyrosinate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C73H107N13O21
+CH$EXACT_MASS: 1501.770447
+CH$SMILES: O=C(NCC(N1[C@H](C(N2[C@H](C(N[C@@H](C(N[C@H](C(N/C(C(N[C@H](C(N[C@@H](C(N3[C@H](C(NC(C4O)CC(CC(C(CC(C)C)O)O)OC([C@@H](N(C(C)=O)C)CC5=CC=C(C=C5)O)=O)=O)CCC3)=O)CCC6=CC=CC=C6)=O)[C@H](O)C)=O)=C/C)=O)CO)=O)[C@H](CC)C)=O)CCC2)=O)CCC1)=O)[C@H](NC4=O)CCC(N)=O
+CH$IUPAC: InChI=1S/C73H107N13O21/c1-9-40(5)60-68(101)80-51(38-87)65(98)76-47(10-2)64(97)82-61(41(6)88)69(102)78-49(27-24-43-17-12-11-13-18-43)71(104)85-31-14-19-52(85)66(99)79-50(35-46(36-57(92)56(91)33-39(3)4)107-73(106)55(83(8)42(7)89)34-44-22-25-45(90)26-23-44)62(95)70(103)77-48(28-29-58(74)93)63(96)75-37-59(94)84-30-16-21-54(84)72(105)86-32-15-20-53(86)67(100)81-60/h10-13,17-18,22-23,25-26,39-41,46,48-57,60-62,87-88,90-92,95H,9,14-16,19-21,24,27-38H2,1-8H3,(H2,74,93)(H,75,96)(H,76,98)(H,77,103)(H,78,102)(H,79,99)(H,80,101)(H,81,100)(H,82,97)/b47-10+/t40-,41+,46?,48+,49+,50?,51-,52-,53-,54-,55-,56?,57?,60+,61-,62?/m0/s1
+CH$LINK: PUBCHEM CID:146683714
+CH$LINK: INCHIKEY XCGGFKXEWPNQFS-ABXPXLQLSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 150-1554
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.480 min
+MS$FOCUSED_ION: BASE_PEAK 751.8918
+MS$FOCUSED_ION: PRECURSOR_M/Z 1502.7777
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0udi-0920000000-4f392fb6539a14a00dfb
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  150.0912 C9H12NO+ 1 150.0913 -1.16
+  153.1021 C8H13N2O+ 1 153.1022 -0.67
+  155.0452 C6H7N2O3+ 1 155.0451 0.67
+  155.0813 C7H11N2O2+ 1 155.0815 -1.35
+  157.0972 C7H13N2O2+ 1 157.0972 0.46
+  163.1113 C11H15O+ 1 163.1117 -2.56
+  167.0811 C8H11N2O2+ 1 167.0815 -2.24
+  167.1175 C9H15N2O+ 1 167.1179 -2.2
+  168.138 C10H18NO+ 1 168.1383 -1.66
+  171.0762 C7H11N2O3+ 1 171.0764 -1.56
+  181.0967 C9H13N2O2+ 2 181.0972 -2.55
+  183.149 C10H19N2O+ 1 183.1492 -1.2
+  186.1275 C13H16N+ 1 186.1277 -1.1
+  190.1225 C12H16NO+ 1 190.1226 -0.83
+  192.1014 C9H12N4O+ 2 192.1006 4.42
+  195.1123 C10H15N2O2+ 2 195.1128 -2.51
+  201.1229 C9H17N2O3+ 2 201.1234 -2.53
+  208.1325 C12H18NO2+ 2 208.1332 -3.62
+  211.1438 C11H19N2O2+ 2 211.1441 -1.67
+  216.1588 C11H22NO3+ 2 216.1594 -2.87
+  220.095 C10H12N4O2+ 3 220.0955 -2.31
+  249.1955 H31N3O11+ 5 249.1953 0.66
+  266.1127 C10H14N6O3+ 2 266.1122 1.95
+  266.1493 C11H18N6O2+ 3 266.1486 2.6
+  280.2021 H32N4O12+ 5 280.2011 3.36
+  298.1756 C14H24N3O4+ 4 298.1761 -1.74
+  308.1962 CH32N4O13+ 7 308.196 0.38
+  313.2117 CH35N3O14+ 6 313.2114 1.23
+PK$NUM_PEAK: 28
+PK$PEAK: m/z int. rel.int.
+  150.0912 6507052 999
+  153.1021 259628.2 39
+  155.0452 115249.5 17
+  155.0813 1117055.6 171
+  157.0972 88417.3 13
+  163.1113 203157.1 31
+  167.0811 203697.4 31
+  167.1175 407913.9 62
+  168.138 263000.1 40
+  171.0762 133372.9 20
+  181.0967 142875.3 21
+  183.149 2421699.5 371
+  186.1275 889490.1 136
+  190.1225 193087.7 29
+  192.1014 2146679.2 329
+  195.1123 424495.2 65
+  201.1229 238501.9 36
+  208.1325 275579.9 42
+  211.1438 752680.8 115
+  216.1588 953972.8 146
+  220.095 211562.2 32
+  249.1955 99303.1 15
+  266.1127 324336.1 49
+  266.1493 177181.8 27
+  280.2021 204845.6 31
+  298.1756 316438.8 48
+  308.1962 233855.2 35
+  313.2117 1246805.9 191
+//
diff --git a/Eawag/MSBNK-EAWAG-ED004207.txt b/Eawag/MSBNK-EAWAG-ED004207.txt
new file mode 100644
index 0000000000..7358ca4486
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED004207.txt
@@ -0,0 +1,72 @@
+ACCESSION: MSBNK-EAWAG-ED004207
+RECORD_TITLE: Portoamide B; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1073/pnas.0914343107
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 42
+CH$NAME: Portoamide B
+CH$NAME: 1-((6R,9S,15S,18R,20aS,25aS,34R,40aS,E)-34-(3-amino-3-oxopropyl)-18-((S)-sec-butyl)-12-ethylidene-37-hydroxy-9-((R)-1-hydroxyethyl)-15-(hydroxymethyl)-5,8,11,14,17,20,25,30,33,36,40-undecaoxo-6-phenethyloctatriacontahydro-1H,25H-tripyrrolo[1,2-b1:1`,2`-g:1``,2``-j][1,4,7,10,13,16,19,22,25,28,31]undecaazacyclotetratriacontin-38-yl)-4,5-dihydroxy-7-methyloctan-2-yl N-acetyl-N-methyl-L-tyrosinate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C73H107N13O21
+CH$EXACT_MASS: 1501.770447
+CH$SMILES: O=C(NCC(N1[C@H](C(N2[C@H](C(N[C@@H](C(N[C@H](C(N/C(C(N[C@H](C(N[C@@H](C(N3[C@H](C(NC(C4O)CC(CC(C(CC(C)C)O)O)OC([C@@H](N(C(C)=O)C)CC5=CC=C(C=C5)O)=O)=O)CCC3)=O)CCC6=CC=CC=C6)=O)[C@H](O)C)=O)=C/C)=O)CO)=O)[C@H](CC)C)=O)CCC2)=O)CCC1)=O)[C@H](NC4=O)CCC(N)=O
+CH$IUPAC: InChI=1S/C73H107N13O21/c1-9-40(5)60-68(101)80-51(38-87)65(98)76-47(10-2)64(97)82-61(41(6)88)69(102)78-49(27-24-43-17-12-11-13-18-43)71(104)85-31-14-19-52(85)66(99)79-50(35-46(36-57(92)56(91)33-39(3)4)107-73(106)55(83(8)42(7)89)34-44-22-25-45(90)26-23-44)62(95)70(103)77-48(28-29-58(74)93)63(96)75-37-59(94)84-30-16-21-54(84)72(105)86-32-15-20-53(86)67(100)81-60/h10-13,17-18,22-23,25-26,39-41,46,48-57,60-62,87-88,90-92,95H,9,14-16,19-21,24,27-38H2,1-8H3,(H2,74,93)(H,75,96)(H,76,98)(H,77,103)(H,78,102)(H,79,99)(H,80,101)(H,81,100)(H,82,97)/b47-10+/t40-,41+,46?,48+,49+,50?,51-,52-,53-,54-,55-,56?,57?,60+,61-,62?/m0/s1
+CH$LINK: PUBCHEM CID:146683714
+CH$LINK: INCHIKEY XCGGFKXEWPNQFS-ABXPXLQLSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 150-1554
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.480 min
+MS$FOCUSED_ION: BASE_PEAK 751.8918
+MS$FOCUSED_ION: PRECURSOR_M/Z 1502.7777
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0udi-0900000000-8d912b80cf90189befef
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  150.0911 C9H12NO+ 1 150.0913 -1.36
+  153.0658 C7H9N2O2+ 1 153.0659 -0.51
+  153.1024 C8H13N2O+ 1 153.1022 1.12
+  155.0452 C6H7N2O3+ 1 155.0451 0.38
+  155.0814 C7H11N2O2+ 1 155.0815 -0.86
+  167.1176 C9H15N2O+ 1 167.1179 -1.92
+  168.138 C10H18NO+ 1 168.1383 -1.66
+  180.138 C11H18NO+ 1 180.1383 -1.5
+  183.1488 C10H19N2O+ 1 183.1492 -2.12
+  186.1274 C13H16N+ 1 186.1277 -1.59
+  190.1221 C12H16NO+ 2 190.1226 -2.99
+  192.1013 C9H12N4O+ 2 192.1006 3.94
+  198.1484 C11H20NO2+ 2 198.1489 -2.48
+  208.1323 C12H18NO2+ 2 208.1332 -4.13
+  216.1589 C11H22NO3+ 2 216.1594 -2.52
+PK$NUM_PEAK: 15
+PK$PEAK: m/z int. rel.int.
+  150.0911 6436251.5 999
+  153.0658 81966.3 12
+  153.1024 151471.6 23
+  155.0452 160033.1 24
+  155.0814 673432.5 104
+  167.1176 238585.2 37
+  168.138 190960.9 29
+  180.138 164385.7 25
+  183.1488 1685552.5 261
+  186.1274 803775.1 124
+  190.1221 167712.1 26
+  192.1013 702262.3 109
+  198.1484 170054.4 26
+  208.1323 233994.7 36
+  216.1589 577212.2 89
+//
diff --git a/Eawag/MSBNK-EAWAG-ED004208.txt b/Eawag/MSBNK-EAWAG-ED004208.txt
new file mode 100644
index 0000000000..2462d6e669
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED004208.txt
@@ -0,0 +1,52 @@
+ACCESSION: MSBNK-EAWAG-ED004208
+RECORD_TITLE: Portoamide B; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1073/pnas.0914343107
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 42
+CH$NAME: Portoamide B
+CH$NAME: 1-((6R,9S,15S,18R,20aS,25aS,34R,40aS,E)-34-(3-amino-3-oxopropyl)-18-((S)-sec-butyl)-12-ethylidene-37-hydroxy-9-((R)-1-hydroxyethyl)-15-(hydroxymethyl)-5,8,11,14,17,20,25,30,33,36,40-undecaoxo-6-phenethyloctatriacontahydro-1H,25H-tripyrrolo[1,2-b1:1`,2`-g:1``,2``-j][1,4,7,10,13,16,19,22,25,28,31]undecaazacyclotetratriacontin-38-yl)-4,5-dihydroxy-7-methyloctan-2-yl N-acetyl-N-methyl-L-tyrosinate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C73H107N13O21
+CH$EXACT_MASS: 1501.770447
+CH$SMILES: O=C(NCC(N1[C@H](C(N2[C@H](C(N[C@@H](C(N[C@H](C(N/C(C(N[C@H](C(N[C@@H](C(N3[C@H](C(NC(C4O)CC(CC(C(CC(C)C)O)O)OC([C@@H](N(C(C)=O)C)CC5=CC=C(C=C5)O)=O)=O)CCC3)=O)CCC6=CC=CC=C6)=O)[C@H](O)C)=O)=C/C)=O)CO)=O)[C@H](CC)C)=O)CCC2)=O)CCC1)=O)[C@H](NC4=O)CCC(N)=O
+CH$IUPAC: InChI=1S/C73H107N13O21/c1-9-40(5)60-68(101)80-51(38-87)65(98)76-47(10-2)64(97)82-61(41(6)88)69(102)78-49(27-24-43-17-12-11-13-18-43)71(104)85-31-14-19-52(85)66(99)79-50(35-46(36-57(92)56(91)33-39(3)4)107-73(106)55(83(8)42(7)89)34-44-22-25-45(90)26-23-44)62(95)70(103)77-48(28-29-58(74)93)63(96)75-37-59(94)84-30-16-21-54(84)72(105)86-32-15-20-53(86)67(100)81-60/h10-13,17-18,22-23,25-26,39-41,46,48-57,60-62,87-88,90-92,95H,9,14-16,19-21,24,27-38H2,1-8H3,(H2,74,93)(H,75,96)(H,76,98)(H,77,103)(H,78,102)(H,79,99)(H,80,101)(H,81,100)(H,82,97)/b47-10+/t40-,41+,46?,48+,49+,50?,51-,52-,53-,54-,55-,56?,57?,60+,61-,62?/m0/s1
+CH$LINK: PUBCHEM CID:146683714
+CH$LINK: INCHIKEY XCGGFKXEWPNQFS-ABXPXLQLSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 150-1554
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.480 min
+MS$FOCUSED_ION: BASE_PEAK 751.8918
+MS$FOCUSED_ION: PRECURSOR_M/Z 1502.7777
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0udi-0900000000-8759ecabbe756936dd58
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  150.0911 C9H12NO+ 1 150.0913 -1.87
+  155.0814 C7H11N2O2+ 1 155.0815 -0.86
+  183.0764 C8H11N2O3+ 1 183.0764 -0.36
+  183.1486 C10H19N2O+ 2 183.1492 -3.2
+  186.1277 C13H16N+ 1 186.1277 -0.36
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  150.0911 5710689.5 999
+  155.0814 295069.8 51
+  183.0764 85759.3 15
+  183.1486 671027.6 117
+  186.1277 573844.6 100
+//
diff --git a/Eawag/MSBNK-EAWAG-ED004209.txt b/Eawag/MSBNK-EAWAG-ED004209.txt
new file mode 100644
index 0000000000..a97d6b59fd
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED004209.txt
@@ -0,0 +1,58 @@
+ACCESSION: MSBNK-EAWAG-ED004209
+RECORD_TITLE: Portoamide B; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1073/pnas.0914343107
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 42
+CH$NAME: Portoamide B
+CH$NAME: 1-((6R,9S,15S,18R,20aS,25aS,34R,40aS,E)-34-(3-amino-3-oxopropyl)-18-((S)-sec-butyl)-12-ethylidene-37-hydroxy-9-((R)-1-hydroxyethyl)-15-(hydroxymethyl)-5,8,11,14,17,20,25,30,33,36,40-undecaoxo-6-phenethyloctatriacontahydro-1H,25H-tripyrrolo[1,2-b1:1`,2`-g:1``,2``-j][1,4,7,10,13,16,19,22,25,28,31]undecaazacyclotetratriacontin-38-yl)-4,5-dihydroxy-7-methyloctan-2-yl N-acetyl-N-methyl-L-tyrosinate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C73H107N13O21
+CH$EXACT_MASS: 1501.770447
+CH$SMILES: O=C(NCC(N1[C@H](C(N2[C@H](C(N[C@@H](C(N[C@H](C(N/C(C(N[C@H](C(N[C@@H](C(N3[C@H](C(NC(C4O)CC(CC(C(CC(C)C)O)O)OC([C@@H](N(C(C)=O)C)CC5=CC=C(C=C5)O)=O)=O)CCC3)=O)CCC6=CC=CC=C6)=O)[C@H](O)C)=O)=C/C)=O)CO)=O)[C@H](CC)C)=O)CCC2)=O)CCC1)=O)[C@H](NC4=O)CCC(N)=O
+CH$IUPAC: InChI=1S/C73H107N13O21/c1-9-40(5)60-68(101)80-51(38-87)65(98)76-47(10-2)64(97)82-61(41(6)88)69(102)78-49(27-24-43-17-12-11-13-18-43)71(104)85-31-14-19-52(85)66(99)79-50(35-46(36-57(92)56(91)33-39(3)4)107-73(106)55(83(8)42(7)89)34-44-22-25-45(90)26-23-44)62(95)70(103)77-48(28-29-58(74)93)63(96)75-37-59(94)84-30-16-21-54(84)72(105)86-32-15-20-53(86)67(100)81-60/h10-13,17-18,22-23,25-26,39-41,46,48-57,60-62,87-88,90-92,95H,9,14-16,19-21,24,27-38H2,1-8H3,(H2,74,93)(H,75,96)(H,76,98)(H,77,103)(H,78,102)(H,79,99)(H,80,101)(H,81,100)(H,82,97)/b47-10+/t40-,41+,46?,48+,49+,50?,51-,52-,53-,54-,55-,56?,57?,60+,61-,62?/m0/s1
+CH$LINK: PUBCHEM CID:146683714
+CH$LINK: INCHIKEY XCGGFKXEWPNQFS-ABXPXLQLSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 150-1554
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.480 min
+MS$FOCUSED_ION: BASE_PEAK 751.8918
+MS$FOCUSED_ION: PRECURSOR_M/Z 1502.7777
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0udi-0900000000-aa85ef056896b3b44ba6
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  150.0911 C9H12NO+ 1 150.0913 -1.56
+  155.0812 C7H11N2O2+ 1 155.0815 -2.24
+  167.1176 C9H15N2O+ 1 167.1179 -1.74
+  168.1379 C10H18NO+ 1 168.1383 -2.29
+  183.1488 C10H19N2O+ 2 183.1492 -2.37
+  186.1276 C13H16N+ 1 186.1277 -0.53
+  186.1483 C10H20NO2+ 2 186.1489 -2.72
+  190.1225 C12H16NO+ 1 190.1226 -0.99
+PK$NUM_PEAK: 8
+PK$PEAK: m/z int. rel.int.
+  150.0911 5564869 999
+  155.0812 317739.1 57
+  167.1176 129466.9 23
+  168.1379 113721.5 20
+  183.1488 532714.8 95
+  186.1276 530835.1 95
+  186.1483 79477 14
+  190.1225 84651.1 15
+//
diff --git a/Eawag/MSBNK-EAWAG-ED013701.txt b/Eawag/MSBNK-EAWAG-ED013701.txt
new file mode 100644
index 0000000000..4fd8a4a6bf
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED013701.txt
@@ -0,0 +1,60 @@
+ACCESSION: MSBNK-EAWAG-ED013701
+RECORD_TITLE: Namalide D; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], D. Fewer [dtc], J. Jokela [dtc], M. Wahlsten [dtc], T. Shishido [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://pubs.acs.org/doi/10.1021/acschembio.7b00570
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 137
+CH$NAME: Namalide D
+CH$NAME: 2?({[6?(butan?2?yl)?2,5,8?trioxo?3?(2?phenylethyl)?1,4,7?triazacyclotridecan?9?yl]carbamoyl}amino)?3?methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C29H45N5O6
+CH$EXACT_MASS: 559.3369842
+CH$SMILES: O=C(C(C(C)CC)NC(C(CCCCN1)NC(NC(C(O)=O)C(CC)C)=O)=O)NC(C1=O)CCC2=CC=CC=C2
+CH$IUPAC: InChI=1S/C29H45N5O6/c1-5-18(3)23-27(37)31-22(16-15-20-12-8-7-9-13-20)25(35)30-17-11-10-14-21(26(36)33-23)32-29(40)34-24(28(38)39)19(4)6-2/h7-9,12-13,18-19,21-24H,5-6,10-11,14-17H2,1-4H3,(H,30,35)(H,31,37)(H,33,36)(H,38,39)(H2,32,34,40)
+CH$LINK: PUBCHEM CID:146683660
+CH$LINK: INCHIKEY YLSOIPHOXMRWGW-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 59-593
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.726 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 560.3443
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-03di-0000290000-40617930dbea429b16ad
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  84.0807 C5H10N+ 1 84.0808 -0.33
+  245.1643 C15H21N2O+ 2 245.1648 -2.17
+  334.1764 C17H24N3O4+ 2 334.1761 0.7
+  403.2704 C22H35N4O3+ 2 403.2704 0.1
+  419.2654 C22H35N4O4+ 2 419.2653 0.21
+  429.2497 C23H33N4O4+ 2 429.2496 0.19
+  447.2603 C25H37NO6+ 2 447.2615 -2.84
+  532.3494 C28H46N5O5+ 1 532.3493 0.19
+  560.3441 C29H46N5O6+ 1 560.3443 -0.32
+PK$NUM_PEAK: 9
+PK$PEAK: m/z int. rel.int.
+  84.0807 151762.1 55
+  245.1643 41423.3 15
+  334.1764 63585.8 23
+  403.2704 227311.3 83
+  419.2654 63922.7 23
+  429.2497 189979.5 69
+  447.2603 297905 109
+  532.3494 516600.5 189
+  560.3441 2722211.5 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED013702.txt b/Eawag/MSBNK-EAWAG-ED013702.txt
new file mode 100644
index 0000000000..9830cf7ae9
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED013702.txt
@@ -0,0 +1,80 @@
+ACCESSION: MSBNK-EAWAG-ED013702
+RECORD_TITLE: Namalide D; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], D. Fewer [dtc], J. Jokela [dtc], M. Wahlsten [dtc], T. Shishido [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://pubs.acs.org/doi/10.1021/acschembio.7b00570
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 137
+CH$NAME: Namalide D
+CH$NAME: 2?({[6?(butan?2?yl)?2,5,8?trioxo?3?(2?phenylethyl)?1,4,7?triazacyclotridecan?9?yl]carbamoyl}amino)?3?methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C29H45N5O6
+CH$EXACT_MASS: 559.3369842
+CH$SMILES: O=C(C(C(C)CC)NC(C(CCCCN1)NC(NC(C(O)=O)C(CC)C)=O)=O)NC(C1=O)CCC2=CC=CC=C2
+CH$IUPAC: InChI=1S/C29H45N5O6/c1-5-18(3)23-27(37)31-22(16-15-20-12-8-7-9-13-20)25(35)30-17-11-10-14-21(26(36)33-23)32-29(40)34-24(28(38)39)19(4)6-2/h7-9,12-13,18-19,21-24H,5-6,10-11,14-17H2,1-4H3,(H,30,35)(H,31,37)(H,33,36)(H,38,39)(H2,32,34,40)
+CH$LINK: PUBCHEM CID:146683660
+CH$LINK: INCHIKEY YLSOIPHOXMRWGW-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 59-593
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.726 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 560.3443
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-01qa-1021890000-690189b5d3207b79cbe5
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  84.0808 C5H10N+ 1 84.0808 0.21
+  129.1024 C6H13N2O+ 1 129.1022 1
+  134.0963 C9H12N+ 1 134.0964 -0.87
+  190.1179 C7H16N3O3+ 1 190.1186 -3.59
+  227.1753 C12H23N2O2+ 1 227.1754 -0.65
+  245.165 C15H21N2O+ 1 245.1648 0.82
+  247.1809 C15H23N2O+ 1 247.1805 1.58
+  275.1759 C16H23N2O2+ 1 275.1754 1.75
+  334.1762 C17H24N3O4+ 2 334.1761 0.15
+  375.2767 C21H35N4O2+ 2 375.2755 3.24
+  399.261 C19H35N4O5+ 3 399.2602 1.96
+  401.255 C22H33N4O3+ 2 401.2547 0.7
+  403.2703 C22H35N4O3+ 2 403.2704 -0.13
+  419.2652 C22H35N4O4+ 2 419.2653 -0.08
+  429.2499 C23H33N4O4+ 2 429.2496 0.55
+  447.2602 C25H37NO6+ 2 447.2615 -2.91
+  489.3415 C27H45N4O4+ 1 489.3435 -4.08
+  532.3494 C28H46N5O5+ 1 532.3493 0.07
+  560.3443 C29H46N5O6+ 1 560.3443 0.01
+PK$NUM_PEAK: 19
+PK$PEAK: m/z int. rel.int.
+  84.0808 303169.6 357
+  129.1024 19876.1 23
+  134.0963 15362.7 18
+  190.1179 15017.6 17
+  227.1753 28004.3 33
+  245.165 178579 210
+  247.1809 15390.4 18
+  275.1759 116846.3 137
+  334.1762 163350.4 192
+  375.2767 19944.8 23
+  399.261 44613.5 52
+  401.255 142740.8 168
+  403.2703 216774.9 255
+  419.2652 182408.9 215
+  429.2499 221930.9 261
+  447.2602 626076.6 738
+  489.3415 49836.6 58
+  532.3494 597352.2 704
+  560.3443 847171.7 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED013703.txt b/Eawag/MSBNK-EAWAG-ED013703.txt
new file mode 100644
index 0000000000..c0559724e3
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED013703.txt
@@ -0,0 +1,108 @@
+ACCESSION: MSBNK-EAWAG-ED013703
+RECORD_TITLE: Namalide D; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], D. Fewer [dtc], J. Jokela [dtc], M. Wahlsten [dtc], T. Shishido [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://pubs.acs.org/doi/10.1021/acschembio.7b00570
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 137
+CH$NAME: Namalide D
+CH$NAME: 2?({[6?(butan?2?yl)?2,5,8?trioxo?3?(2?phenylethyl)?1,4,7?triazacyclotridecan?9?yl]carbamoyl}amino)?3?methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C29H45N5O6
+CH$EXACT_MASS: 559.3369842
+CH$SMILES: O=C(C(C(C)CC)NC(C(CCCCN1)NC(NC(C(O)=O)C(CC)C)=O)=O)NC(C1=O)CCC2=CC=CC=C2
+CH$IUPAC: InChI=1S/C29H45N5O6/c1-5-18(3)23-27(37)31-22(16-15-20-12-8-7-9-13-20)25(35)30-17-11-10-14-21(26(36)33-23)32-29(40)34-24(28(38)39)19(4)6-2/h7-9,12-13,18-19,21-24H,5-6,10-11,14-17H2,1-4H3,(H,30,35)(H,31,37)(H,33,36)(H,38,39)(H2,32,34,40)
+CH$LINK: PUBCHEM CID:146683660
+CH$LINK: INCHIKEY YLSOIPHOXMRWGW-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 59-593
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.726 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 560.3443
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-001j-2142920000-178a4b1894c83536aac3
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  84.0808 C5H10N+ 1 84.0808 -0.15
+  86.0964 C5H12N+ 1 86.0964 -0.12
+  129.1022 C6H13N2O+ 1 129.1022 -0.18
+  134.096 C9H12N+ 1 134.0964 -2.81
+  147.113 C6H15N2O2+ 1 147.1128 1.34
+  173.092 C7H13N2O3+ 1 173.0921 -0.45
+  190.1189 C7H16N3O3+ 1 190.1186 1.38
+  199.181 C11H23N2O+ 1 199.1805 2.67
+  227.1754 C12H23N2O2+ 1 227.1754 0.09
+  240.171 C12H22N3O2+ 2 240.1707 1.4
+  245.1651 C15H21N2O+ 1 245.1648 0.94
+  247.1804 C15H23N2O+ 1 247.1805 -0.21
+  250.1553 C13H20N3O2+ 2 250.155 1.28
+  258.1812 C12H24N3O3+ 1 258.1812 -0.22
+  275.1757 C16H23N2O2+ 1 275.1754 0.97
+  286.1764 C13H24N3O4+ 2 286.1761 0.9
+  308.1974 C16H26N3O3+ 2 308.1969 1.73
+  315.2435 C20H31N2O+ 1 315.2431 1.43
+  334.176 C17H24N3O4+ 2 334.1761 -0.39
+  375.2753 C21H35N4O2+ 3 375.2755 -0.5
+  376.2597 C21H34N3O3+ 2 376.2595 0.54
+  381.2487 C19H33N4O4+ 1 381.2496 -2.33
+  386.2442 C22H32N3O3+ 2 386.2438 0.98
+  401.2547 C22H33N4O3+ 2 401.2547 -0.06
+  403.27 C22H35N4O3+ 2 403.2704 -0.81
+  419.2656 C22H35N4O4+ 2 419.2653 0.87
+  421.2801 C22H37N4O4+ 1 421.2809 -2.02
+  429.2501 C23H33N4O4+ 2 429.2496 1.19
+  447.2604 C25H37NO6+ 2 447.2615 -2.56
+  489.3438 C27H45N4O4+ 1 489.3435 0.53
+  515.3234 C28H43N4O5+ 1 515.3228 1.13
+  532.3496 C28H46N5O5+ 1 532.3493 0.42
+  560.3445 C29H46N5O6+ 1 560.3443 0.44
+PK$NUM_PEAK: 33
+PK$PEAK: m/z int. rel.int.
+  84.0808 409842.5 750
+  86.0964 22798.9 41
+  129.1022 44263.1 81
+  134.096 50568.1 92
+  147.113 12127.4 22
+  173.092 30337.1 55
+  190.1189 25609.2 46
+  199.181 14438.7 26
+  227.1754 42177.8 77
+  240.171 14598.1 26
+  245.1651 303665.3 556
+  247.1804 87538.8 160
+  250.1553 31400.6 57
+  258.1812 32639.3 59
+  275.1757 169045.8 309
+  286.1764 55525.4 101
+  308.1974 18165.8 33
+  315.2435 31049.5 56
+  334.176 294719.8 539
+  375.2753 46989.2 86
+  376.2597 11693.3 21
+  381.2487 23975.5 43
+  386.2442 16388.5 30
+  401.2547 292551.5 535
+  403.27 86098.3 157
+  419.2656 284588.1 521
+  421.2801 10455.3 19
+  429.2501 143132 262
+  447.2604 545485 999
+  489.3438 71762 131
+  515.3234 18518.7 33
+  532.3496 257000.1 470
+  560.3445 172581.6 316
+//
diff --git a/Eawag/MSBNK-EAWAG-ED013704.txt b/Eawag/MSBNK-EAWAG-ED013704.txt
new file mode 100644
index 0000000000..5a94e492e3
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED013704.txt
@@ -0,0 +1,96 @@
+ACCESSION: MSBNK-EAWAG-ED013704
+RECORD_TITLE: Namalide D; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], D. Fewer [dtc], J. Jokela [dtc], M. Wahlsten [dtc], T. Shishido [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://pubs.acs.org/doi/10.1021/acschembio.7b00570
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 137
+CH$NAME: Namalide D
+CH$NAME: 2?({[6?(butan?2?yl)?2,5,8?trioxo?3?(2?phenylethyl)?1,4,7?triazacyclotridecan?9?yl]carbamoyl}amino)?3?methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C29H45N5O6
+CH$EXACT_MASS: 559.3369842
+CH$SMILES: O=C(C(C(C)CC)NC(C(CCCCN1)NC(NC(C(O)=O)C(CC)C)=O)=O)NC(C1=O)CCC2=CC=CC=C2
+CH$IUPAC: InChI=1S/C29H45N5O6/c1-5-18(3)23-27(37)31-22(16-15-20-12-8-7-9-13-20)25(35)30-17-11-10-14-21(26(36)33-23)32-29(40)34-24(28(38)39)19(4)6-2/h7-9,12-13,18-19,21-24H,5-6,10-11,14-17H2,1-4H3,(H,30,35)(H,31,37)(H,33,36)(H,38,39)(H2,32,34,40)
+CH$LINK: PUBCHEM CID:146683660
+CH$LINK: INCHIKEY YLSOIPHOXMRWGW-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 59-593
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.726 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 560.3443
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-001j-5395700000-2f9314a32c87c94e8e9e
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  84.0808 C5H10N+ 1 84.0808 0.21
+  86.0964 C5H12N+ 1 86.0964 -0.21
+  129.1022 C6H13N2O+ 1 129.1022 -0.42
+  132.1022 C6H14NO2+ 1 132.1019 2.58
+  134.0965 C9H12N+ 1 134.0964 0.61
+  147.1125 C6H15N2O2+ 1 147.1128 -2.4
+  154.1591 C10H20N+ 1 154.159 0.33
+  173.0919 C7H13N2O3+ 1 173.0921 -0.71
+  190.1189 C7H16N3O3+ 1 190.1186 1.54
+  199.1804 C11H23N2O+ 1 199.1805 -0.7
+  224.1761 C12H22N3O+ 2 224.1757 1.69
+  227.1759 C12H23N2O2+ 1 227.1754 2.24
+  240.1713 C12H22N3O2+ 2 240.1707 2.73
+  245.1651 C15H21N2O+ 1 245.1648 1.01
+  247.1807 C15H23N2O+ 1 247.1805 0.9
+  258.1809 C12H24N3O3+ 1 258.1812 -1.17
+  268.1657 C13H22N3O3+ 2 268.1656 0.6
+  275.1757 C16H23N2O2+ 1 275.1754 1.08
+  286.1761 C13H24N3O4+ 2 286.1761 -0.17
+  288.1716 C18H24O3+ 2 288.172 -1.4
+  308.1962 C16H26N3O3+ 1 308.1969 -2.33
+  315.2432 C20H31N2O+ 2 315.2431 0.27
+  334.1763 C17H24N3O4+ 2 334.1761 0.61
+  385.2593 C22H33N4O2+ 3 385.2598 -1.38
+  401.2548 C22H33N4O3+ 2 401.2547 0.24
+  419.2655 C22H35N4O4+ 2 419.2653 0.43
+  447.2606 C25H37NO6+ 2 447.2615 -2.09
+PK$NUM_PEAK: 27
+PK$PEAK: m/z int. rel.int.
+  84.0808 547479.2 999
+  86.0964 67911.8 123
+  129.1022 131740.7 240
+  132.1022 9559.4 17
+  134.0965 114331.4 208
+  147.1125 20599.8 37
+  154.1591 18137.3 33
+  173.0919 52884.2 96
+  190.1189 19323 35
+  199.1804 23552.5 42
+  224.1761 13282.4 24
+  227.1759 22651.1 41
+  240.1713 51180.1 93
+  245.1651 335822 612
+  247.1807 218088.1 397
+  258.1809 31979.1 58
+  268.1657 23682.3 43
+  275.1757 187809.5 342
+  286.1761 71488.2 130
+  288.1716 12143.1 22
+  308.1962 28908.5 52
+  315.2432 69774.4 127
+  334.1763 489086.2 892
+  385.2593 14195.5 25
+  401.2548 283065.9 516
+  419.2655 276602.4 504
+  447.2606 210343.2 383
+//
diff --git a/Eawag/MSBNK-EAWAG-ED013705.txt b/Eawag/MSBNK-EAWAG-ED013705.txt
new file mode 100644
index 0000000000..fdf3d5e760
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED013705.txt
@@ -0,0 +1,96 @@
+ACCESSION: MSBNK-EAWAG-ED013705
+RECORD_TITLE: Namalide D; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], D. Fewer [dtc], J. Jokela [dtc], M. Wahlsten [dtc], T. Shishido [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://pubs.acs.org/doi/10.1021/acschembio.7b00570
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 137
+CH$NAME: Namalide D
+CH$NAME: 2?({[6?(butan?2?yl)?2,5,8?trioxo?3?(2?phenylethyl)?1,4,7?triazacyclotridecan?9?yl]carbamoyl}amino)?3?methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C29H45N5O6
+CH$EXACT_MASS: 559.3369842
+CH$SMILES: O=C(C(C(C)CC)NC(C(CCCCN1)NC(NC(C(O)=O)C(CC)C)=O)=O)NC(C1=O)CCC2=CC=CC=C2
+CH$IUPAC: InChI=1S/C29H45N5O6/c1-5-18(3)23-27(37)31-22(16-15-20-12-8-7-9-13-20)25(35)30-17-11-10-14-21(26(36)33-23)32-29(40)34-24(28(38)39)19(4)6-2/h7-9,12-13,18-19,21-24H,5-6,10-11,14-17H2,1-4H3,(H,30,35)(H,31,37)(H,33,36)(H,38,39)(H2,32,34,40)
+CH$LINK: PUBCHEM CID:146683660
+CH$LINK: INCHIKEY YLSOIPHOXMRWGW-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 59-593
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.726 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 560.3443
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-001i-9844000000-d0caf95730795a8758a0
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  84.0808 C5H10N+ 1 84.0808 0.3
+  86.0964 C5H12N+ 1 86.0964 0.23
+  91.0546 C7H7+ 1 91.0542 3.93
+  117.0699 C9H9+ 1 117.0699 0.07
+  129.1023 C6H13N2O+ 1 129.1022 0.64
+  132.1018 C6H14NO2+ 1 132.1019 -0.88
+  134.0964 C9H12N+ 1 134.0964 -0.3
+  147.1125 C6H15N2O2+ 1 147.1128 -1.98
+  154.1587 C10H20N+ 1 154.159 -2.15
+  155.0814 C7H11N2O2+ 1 155.0815 -0.99
+  173.0919 C7H13N2O3+ 1 173.0921 -1.15
+  197.1654 C11H21N2O+ 1 197.1648 2.96
+  202.1591 C14H20N+ 1 202.159 0.38
+  224.176 C12H22N3O+ 2 224.1757 1.28
+  240.1706 C12H22N3O2+ 1 240.1707 -0.38
+  245.1652 C15H21N2O+ 1 245.1648 1.63
+  247.1805 C15H23N2O+ 1 247.1805 -0.09
+  258.1816 C12H24N3O3+ 2 258.1812 1.43
+  268.1657 C13H22N3O3+ 2 268.1656 0.48
+  275.1753 C16H23N2O2+ 2 275.1754 -0.47
+  286.1766 C13H24N3O4+ 2 286.1761 1.64
+  288.1716 C18H24O3+ 2 288.172 -1.4
+  334.1762 C17H24N3O4+ 2 334.1761 0.34
+  356.2343 C21H30N3O2+ 2 356.2333 2.9
+  376.2588 C21H34N3O3+ 1 376.2595 -1.81
+  402.2384 C24H34O5+ 2 402.2401 -4.25
+  419.2659 C22H35N4O4+ 2 419.2653 1.38
+PK$NUM_PEAK: 27
+PK$PEAK: m/z int. rel.int.
+  84.0808 877107.8 999
+  86.0964 260476.5 296
+  91.0546 22276.7 25
+  117.0699 51945.6 59
+  129.1023 235778.7 268
+  132.1018 22940.2 26
+  134.0964 518156.3 590
+  147.1125 16611.8 18
+  154.1587 61041 69
+  155.0814 42635.4 48
+  173.0919 96394.5 109
+  197.1654 10321.8 11
+  202.1591 75810.4 86
+  224.176 22255.1 25
+  240.1706 119570.5 136
+  245.1652 133155.3 151
+  247.1805 152259.8 173
+  258.1816 13187.2 15
+  268.1657 26158.9 29
+  275.1753 19354.3 22
+  286.1766 37607.8 42
+  288.1716 21547.9 24
+  334.1762 464042.4 528
+  356.2343 40569.4 46
+  376.2588 64245.8 73
+  402.2384 37917.3 43
+  419.2659 44390.1 50
+//
diff --git a/Eawag/MSBNK-EAWAG-ED013706.txt b/Eawag/MSBNK-EAWAG-ED013706.txt
new file mode 100644
index 0000000000..bf035122a8
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED013706.txt
@@ -0,0 +1,82 @@
+ACCESSION: MSBNK-EAWAG-ED013706
+RECORD_TITLE: Namalide D; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], D. Fewer [dtc], J. Jokela [dtc], M. Wahlsten [dtc], T. Shishido [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://pubs.acs.org/doi/10.1021/acschembio.7b00570
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 137
+CH$NAME: Namalide D
+CH$NAME: 2?({[6?(butan?2?yl)?2,5,8?trioxo?3?(2?phenylethyl)?1,4,7?triazacyclotridecan?9?yl]carbamoyl}amino)?3?methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C29H45N5O6
+CH$EXACT_MASS: 559.3369842
+CH$SMILES: O=C(C(C(C)CC)NC(C(CCCCN1)NC(NC(C(O)=O)C(CC)C)=O)=O)NC(C1=O)CCC2=CC=CC=C2
+CH$IUPAC: InChI=1S/C29H45N5O6/c1-5-18(3)23-27(37)31-22(16-15-20-12-8-7-9-13-20)25(35)30-17-11-10-14-21(26(36)33-23)32-29(40)34-24(28(38)39)19(4)6-2/h7-9,12-13,18-19,21-24H,5-6,10-11,14-17H2,1-4H3,(H,30,35)(H,31,37)(H,33,36)(H,38,39)(H2,32,34,40)
+CH$LINK: PUBCHEM CID:146683660
+CH$LINK: INCHIKEY YLSOIPHOXMRWGW-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 59-593
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.726 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 560.3443
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-001i-9810000000-7e88a7a8ff50b610deb3
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  69.0698 C5H9+ 1 69.0699 -0.73
+  84.0808 C5H10N+ 1 84.0808 0.21
+  86.0964 C5H12N+ 1 86.0964 0.23
+  91.0543 C7H7+ 1 91.0542 0.75
+  117.0699 C9H9+ 1 117.0699 0
+  129.1023 C6H13N2O+ 1 129.1022 0.17
+  130.0863 C6H12NO2+ 1 130.0863 0.28
+  132.1019 C6H14NO2+ 1 132.1019 -0.19
+  134.0964 C9H12N+ 1 134.0964 -0.3
+  147.1132 C6H15N2O2+ 1 147.1128 2.69
+  154.1593 C10H20N+ 1 154.159 1.51
+  155.0814 C7H11N2O2+ 1 155.0815 -0.79
+  173.092 C7H13N2O3+ 1 173.0921 -0.36
+  202.1593 C14H20N+ 1 202.159 1.29
+  240.171 C12H22N3O2+ 2 240.1707 1.27
+  245.1647 C15H21N2O+ 2 245.1648 -0.55
+  250.1556 C13H20N3O2+ 2 250.155 2.38
+  268.1662 C13H22N3O3+ 2 268.1656 2.19
+  334.176 C17H24N3O4+ 2 334.1761 -0.49
+  356.2339 C21H30N3O2+ 2 356.2333 1.87
+PK$NUM_PEAK: 20
+PK$PEAK: m/z int. rel.int.
+  69.0698 18450.4 16
+  84.0808 1088660.4 999
+  86.0964 372988 342
+  91.0543 94423.9 86
+  117.0699 155651.5 142
+  129.1023 277022.6 254
+  130.0863 17869.4 16
+  132.1019 24924.1 22
+  134.0964 744576.4 683
+  147.1132 18357.9 16
+  154.1593 60637.3 55
+  155.0814 74580.7 68
+  173.092 103933.6 95
+  202.1593 107755.8 98
+  240.171 98212.8 90
+  245.1647 21351.9 19
+  250.1556 21664 19
+  268.1662 13400.1 12
+  334.176 111208.1 102
+  356.2339 13489.4 12
+//
diff --git a/Eawag/MSBNK-EAWAG-ED013707.txt b/Eawag/MSBNK-EAWAG-ED013707.txt
new file mode 100644
index 0000000000..9049b7b11c
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED013707.txt
@@ -0,0 +1,70 @@
+ACCESSION: MSBNK-EAWAG-ED013707
+RECORD_TITLE: Namalide D; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], D. Fewer [dtc], J. Jokela [dtc], M. Wahlsten [dtc], T. Shishido [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://pubs.acs.org/doi/10.1021/acschembio.7b00570
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 137
+CH$NAME: Namalide D
+CH$NAME: 2?({[6?(butan?2?yl)?2,5,8?trioxo?3?(2?phenylethyl)?1,4,7?triazacyclotridecan?9?yl]carbamoyl}amino)?3?methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C29H45N5O6
+CH$EXACT_MASS: 559.3369842
+CH$SMILES: O=C(C(C(C)CC)NC(C(CCCCN1)NC(NC(C(O)=O)C(CC)C)=O)=O)NC(C1=O)CCC2=CC=CC=C2
+CH$IUPAC: InChI=1S/C29H45N5O6/c1-5-18(3)23-27(37)31-22(16-15-20-12-8-7-9-13-20)25(35)30-17-11-10-14-21(26(36)33-23)32-29(40)34-24(28(38)39)19(4)6-2/h7-9,12-13,18-19,21-24H,5-6,10-11,14-17H2,1-4H3,(H,30,35)(H,31,37)(H,33,36)(H,38,39)(H2,32,34,40)
+CH$LINK: PUBCHEM CID:146683660
+CH$LINK: INCHIKEY YLSOIPHOXMRWGW-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 59-593
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.726 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 560.3443
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-001i-9500000000-a2494df39cba7a91f481
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  69.0699 C5H9+ 1 69.0699 -0.07
+  84.0808 C5H10N+ 1 84.0808 0.03
+  86.0964 C5H12N+ 1 86.0964 0.23
+  91.0542 C7H7+ 1 91.0542 0.16
+  111.0917 C6H11N2+ 1 111.0917 0.36
+  117.0699 C9H9+ 1 117.0699 -0.06
+  129.1021 C6H13N2O+ 1 129.1022 -0.77
+  130.086 C6H12NO2+ 1 130.0863 -2.07
+  134.0963 C9H12N+ 1 134.0964 -0.65
+  154.159 C10H20N+ 1 154.159 0.13
+  155.0815 C7H11N2O2+ 1 155.0815 0.19
+  173.0925 C7H13N2O3+ 1 173.0921 2.64
+  202.1592 C14H20N+ 1 202.159 0.69
+  240.1707 C12H22N3O2+ 1 240.1707 0.32
+PK$NUM_PEAK: 14
+PK$PEAK: m/z int. rel.int.
+  69.0699 42558.4 34
+  84.0808 1244173.5 999
+  86.0964 371648.5 298
+  91.0542 299795.9 240
+  111.0917 18340.4 14
+  117.0699 264758.2 212
+  129.1021 212637.9 170
+  130.086 12551.4 10
+  134.0963 564179.8 453
+  154.159 20426.1 16
+  155.0815 75786.5 60
+  173.0925 52322.3 42
+  202.1592 57486.6 46
+  240.1707 49397.4 39
+//
diff --git a/Eawag/MSBNK-EAWAG-ED013708.txt b/Eawag/MSBNK-EAWAG-ED013708.txt
new file mode 100644
index 0000000000..a8b5c460f7
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED013708.txt
@@ -0,0 +1,64 @@
+ACCESSION: MSBNK-EAWAG-ED013708
+RECORD_TITLE: Namalide D; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], D. Fewer [dtc], J. Jokela [dtc], M. Wahlsten [dtc], T. Shishido [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://pubs.acs.org/doi/10.1021/acschembio.7b00570
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 137
+CH$NAME: Namalide D
+CH$NAME: 2?({[6?(butan?2?yl)?2,5,8?trioxo?3?(2?phenylethyl)?1,4,7?triazacyclotridecan?9?yl]carbamoyl}amino)?3?methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C29H45N5O6
+CH$EXACT_MASS: 559.3369842
+CH$SMILES: O=C(C(C(C)CC)NC(C(CCCCN1)NC(NC(C(O)=O)C(CC)C)=O)=O)NC(C1=O)CCC2=CC=CC=C2
+CH$IUPAC: InChI=1S/C29H45N5O6/c1-5-18(3)23-27(37)31-22(16-15-20-12-8-7-9-13-20)25(35)30-17-11-10-14-21(26(36)33-23)32-29(40)34-24(28(38)39)19(4)6-2/h7-9,12-13,18-19,21-24H,5-6,10-11,14-17H2,1-4H3,(H,30,35)(H,31,37)(H,33,36)(H,38,39)(H2,32,34,40)
+CH$LINK: PUBCHEM CID:146683660
+CH$LINK: INCHIKEY YLSOIPHOXMRWGW-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 59-593
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.726 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 560.3443
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-001i-9300000000-f573137cb4117d4ed926
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  69.0698 C5H9+ 1 69.0699 -0.4
+  84.0808 C5H10N+ 1 84.0808 -0.15
+  86.0964 C5H12N+ 1 86.0964 -0.03
+  91.0542 C7H7+ 1 91.0542 -0.01
+  111.0913 C6H11N2+ 1 111.0917 -3.14
+  117.0699 C9H9+ 1 117.0699 -0.13
+  129.1023 C6H13N2O+ 1 129.1022 0.17
+  134.0963 C9H12N+ 1 134.0964 -0.99
+  155.0814 C7H11N2O2+ 1 155.0815 -0.69
+  173.0921 C7H13N2O3+ 1 173.0921 0.08
+  202.1591 C14H20N+ 1 202.159 0.16
+PK$NUM_PEAK: 11
+PK$PEAK: m/z int. rel.int.
+  69.0698 67487.3 47
+  84.0808 1427553.2 999
+  86.0964 321394.3 224
+  91.0542 582287.1 407
+  111.0913 22037.6 15
+  117.0699 311069 217
+  129.1023 126515.1 88
+  134.0963 293561.7 205
+  155.0814 53893.7 37
+  173.0921 17720.8 12
+  202.1591 18811.8 13
+//
diff --git a/Eawag/MSBNK-EAWAG-ED013709.txt b/Eawag/MSBNK-EAWAG-ED013709.txt
new file mode 100644
index 0000000000..2f2e0d452c
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED013709.txt
@@ -0,0 +1,58 @@
+ACCESSION: MSBNK-EAWAG-ED013709
+RECORD_TITLE: Namalide D; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], D. Fewer [dtc], J. Jokela [dtc], M. Wahlsten [dtc], T. Shishido [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://pubs.acs.org/doi/10.1021/acschembio.7b00570
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 137
+CH$NAME: Namalide D
+CH$NAME: 2?({[6?(butan?2?yl)?2,5,8?trioxo?3?(2?phenylethyl)?1,4,7?triazacyclotridecan?9?yl]carbamoyl}amino)?3?methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C29H45N5O6
+CH$EXACT_MASS: 559.3369842
+CH$SMILES: O=C(C(C(C)CC)NC(C(CCCCN1)NC(NC(C(O)=O)C(CC)C)=O)=O)NC(C1=O)CCC2=CC=CC=C2
+CH$IUPAC: InChI=1S/C29H45N5O6/c1-5-18(3)23-27(37)31-22(16-15-20-12-8-7-9-13-20)25(35)30-17-11-10-14-21(26(36)33-23)32-29(40)34-24(28(38)39)19(4)6-2/h7-9,12-13,18-19,21-24H,5-6,10-11,14-17H2,1-4H3,(H,30,35)(H,31,37)(H,33,36)(H,38,39)(H2,32,34,40)
+CH$LINK: PUBCHEM CID:146683660
+CH$LINK: INCHIKEY YLSOIPHOXMRWGW-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 59-593
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.726 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 560.3443
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-001l-9100000000-8a8c15aeb702673c8eaa
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  69.0699 C5H9+ 1 69.0699 0.37
+  84.0808 C5H10N+ 1 84.0808 -0.24
+  86.0964 C5H12N+ 1 86.0964 -0.12
+  91.0542 C7H7+ 1 91.0542 -0.01
+  111.0919 C6H11N2+ 1 111.0917 1.87
+  117.0699 C9H9+ 1 117.0699 0.07
+  129.1021 C6H13N2O+ 1 129.1022 -0.77
+  134.0964 C9H12N+ 1 134.0964 -0.53
+PK$NUM_PEAK: 8
+PK$PEAK: m/z int. rel.int.
+  69.0699 80154.3 57
+  84.0808 1401145.9 999
+  86.0964 251804.1 179
+  91.0542 784224.4 559
+  111.0919 17464.9 12
+  117.0699 232154.4 165
+  129.1021 68322.4 48
+  134.0964 121110.4 86
+//
diff --git a/Eawag/MSBNK-EAWAG-ED013751.txt b/Eawag/MSBNK-EAWAG-ED013751.txt
new file mode 100644
index 0000000000..45dd95591b
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED013751.txt
@@ -0,0 +1,46 @@
+ACCESSION: MSBNK-EAWAG-ED013751
+RECORD_TITLE: Namalide D; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], D. Fewer [dtc], J. Jokela [dtc], M. Wahlsten [dtc], T. Shishido [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://pubs.acs.org/doi/10.1021/acschembio.7b00570
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 137
+CH$NAME: Namalide D
+CH$NAME: 2?({[6?(butan?2?yl)?2,5,8?trioxo?3?(2?phenylethyl)?1,4,7?triazacyclotridecan?9?yl]carbamoyl}amino)?3?methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C29H45N5O6
+CH$EXACT_MASS: 559.3369842
+CH$SMILES: O=C(C(C(C)CC)NC(C(CCCCN1)NC(NC(C(O)=O)C(CC)C)=O)=O)NC(C1=O)CCC2=CC=CC=C2
+CH$IUPAC: InChI=1S/C29H45N5O6/c1-5-18(3)23-27(37)31-22(16-15-20-12-8-7-9-13-20)25(35)30-17-11-10-14-21(26(36)33-23)32-29(40)34-24(28(38)39)19(4)6-2/h7-9,12-13,18-19,21-24H,5-6,10-11,14-17H2,1-4H3,(H,30,35)(H,31,37)(H,33,36)(H,38,39)(H2,32,34,40)
+CH$LINK: PUBCHEM CID:146683660
+CH$LINK: INCHIKEY YLSOIPHOXMRWGW-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 59-591
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.713 min
+MS$FOCUSED_ION: BASE_PEAK 558.3302
+MS$FOCUSED_ION: PRECURSOR_M/Z 558.3297
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-004i-0000900000-f9c4f7edd7d83bdd84ff
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  427.2351 C23H31N4O4- 2 427.2351 -0.06
+  540.3192 C29H42N5O5- 1 540.3191 0.08
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  427.2351 3131181.5 999
+  540.3192 188451.6 60
+//
diff --git a/Eawag/MSBNK-EAWAG-ED013752.txt b/Eawag/MSBNK-EAWAG-ED013752.txt
new file mode 100644
index 0000000000..88932cc5dc
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED013752.txt
@@ -0,0 +1,46 @@
+ACCESSION: MSBNK-EAWAG-ED013752
+RECORD_TITLE: Namalide D; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], D. Fewer [dtc], J. Jokela [dtc], M. Wahlsten [dtc], T. Shishido [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://pubs.acs.org/doi/10.1021/acschembio.7b00570
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 137
+CH$NAME: Namalide D
+CH$NAME: 2?({[6?(butan?2?yl)?2,5,8?trioxo?3?(2?phenylethyl)?1,4,7?triazacyclotridecan?9?yl]carbamoyl}amino)?3?methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C29H45N5O6
+CH$EXACT_MASS: 559.3369842
+CH$SMILES: O=C(C(C(C)CC)NC(C(CCCCN1)NC(NC(C(O)=O)C(CC)C)=O)=O)NC(C1=O)CCC2=CC=CC=C2
+CH$IUPAC: InChI=1S/C29H45N5O6/c1-5-18(3)23-27(37)31-22(16-15-20-12-8-7-9-13-20)25(35)30-17-11-10-14-21(26(36)33-23)32-29(40)34-24(28(38)39)19(4)6-2/h7-9,12-13,18-19,21-24H,5-6,10-11,14-17H2,1-4H3,(H,30,35)(H,31,37)(H,33,36)(H,38,39)(H2,32,34,40)
+CH$LINK: PUBCHEM CID:146683660
+CH$LINK: INCHIKEY YLSOIPHOXMRWGW-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 59-591
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.713 min
+MS$FOCUSED_ION: BASE_PEAK 558.3302
+MS$FOCUSED_ION: PRECURSOR_M/Z 558.3297
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-004i-0000900000-0aa9eab7b5ce3ac1e77c
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  427.2349 C23H31N4O4- 2 427.2351 -0.35
+  540.3191 C29H42N5O5- 1 540.3191 -0.04
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  427.2349 3287058.5 999
+  540.3191 230972.1 70
+//
diff --git a/Eawag/MSBNK-EAWAG-ED013753.txt b/Eawag/MSBNK-EAWAG-ED013753.txt
new file mode 100644
index 0000000000..b988bc7216
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED013753.txt
@@ -0,0 +1,48 @@
+ACCESSION: MSBNK-EAWAG-ED013753
+RECORD_TITLE: Namalide D; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], D. Fewer [dtc], J. Jokela [dtc], M. Wahlsten [dtc], T. Shishido [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://pubs.acs.org/doi/10.1021/acschembio.7b00570
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 137
+CH$NAME: Namalide D
+CH$NAME: 2?({[6?(butan?2?yl)?2,5,8?trioxo?3?(2?phenylethyl)?1,4,7?triazacyclotridecan?9?yl]carbamoyl}amino)?3?methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C29H45N5O6
+CH$EXACT_MASS: 559.3369842
+CH$SMILES: O=C(C(C(C)CC)NC(C(CCCCN1)NC(NC(C(O)=O)C(CC)C)=O)=O)NC(C1=O)CCC2=CC=CC=C2
+CH$IUPAC: InChI=1S/C29H45N5O6/c1-5-18(3)23-27(37)31-22(16-15-20-12-8-7-9-13-20)25(35)30-17-11-10-14-21(26(36)33-23)32-29(40)34-24(28(38)39)19(4)6-2/h7-9,12-13,18-19,21-24H,5-6,10-11,14-17H2,1-4H3,(H,30,35)(H,31,37)(H,33,36)(H,38,39)(H2,32,34,40)
+CH$LINK: PUBCHEM CID:146683660
+CH$LINK: INCHIKEY YLSOIPHOXMRWGW-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 59-591
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.713 min
+MS$FOCUSED_ION: BASE_PEAK 558.3302
+MS$FOCUSED_ION: PRECURSOR_M/Z 558.3297
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-004i-0000900000-aa786e94828c99e08920
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  130.0872 C6H12NO2- 1 130.0874 -1.09
+  427.235 C23H31N4O4- 2 427.2351 -0.2
+  540.3188 C29H42N5O5- 1 540.3191 -0.71
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  130.0872 64429.1 18
+  427.235 3389241.2 999
+  540.3188 227228 66
+//
diff --git a/Eawag/MSBNK-EAWAG-ED013754.txt b/Eawag/MSBNK-EAWAG-ED013754.txt
new file mode 100644
index 0000000000..7502dd0e56
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED013754.txt
@@ -0,0 +1,52 @@
+ACCESSION: MSBNK-EAWAG-ED013754
+RECORD_TITLE: Namalide D; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], D. Fewer [dtc], J. Jokela [dtc], M. Wahlsten [dtc], T. Shishido [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://pubs.acs.org/doi/10.1021/acschembio.7b00570
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 137
+CH$NAME: Namalide D
+CH$NAME: 2?({[6?(butan?2?yl)?2,5,8?trioxo?3?(2?phenylethyl)?1,4,7?triazacyclotridecan?9?yl]carbamoyl}amino)?3?methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C29H45N5O6
+CH$EXACT_MASS: 559.3369842
+CH$SMILES: O=C(C(C(C)CC)NC(C(CCCCN1)NC(NC(C(O)=O)C(CC)C)=O)=O)NC(C1=O)CCC2=CC=CC=C2
+CH$IUPAC: InChI=1S/C29H45N5O6/c1-5-18(3)23-27(37)31-22(16-15-20-12-8-7-9-13-20)25(35)30-17-11-10-14-21(26(36)33-23)32-29(40)34-24(28(38)39)19(4)6-2/h7-9,12-13,18-19,21-24H,5-6,10-11,14-17H2,1-4H3,(H,30,35)(H,31,37)(H,33,36)(H,38,39)(H2,32,34,40)
+CH$LINK: PUBCHEM CID:146683660
+CH$LINK: INCHIKEY YLSOIPHOXMRWGW-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 59-591
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.713 min
+MS$FOCUSED_ION: BASE_PEAK 558.3302
+MS$FOCUSED_ION: PRECURSOR_M/Z 558.3297
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-004i-0000900000-5daa874b78c47f0981ec
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  130.0871 C6H12NO2- 1 130.0874 -1.91
+  279.1815 C14H23N4O2- 2 279.1826 -4.26
+  383.2454 C22H31N4O2- 3 383.2452 0.49
+  427.2351 C23H31N4O4- 2 427.2351 -0.06
+  540.3194 C29H42N5O5- 1 540.3191 0.53
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  130.0871 133911.3 46
+  279.1815 33482.2 11
+  383.2454 105280.9 36
+  427.2351 2874574 999
+  540.3194 179142.4 62
+//
diff --git a/Eawag/MSBNK-EAWAG-ED013755.txt b/Eawag/MSBNK-EAWAG-ED013755.txt
new file mode 100644
index 0000000000..025f90c7e4
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED013755.txt
@@ -0,0 +1,62 @@
+ACCESSION: MSBNK-EAWAG-ED013755
+RECORD_TITLE: Namalide D; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], D. Fewer [dtc], J. Jokela [dtc], M. Wahlsten [dtc], T. Shishido [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://pubs.acs.org/doi/10.1021/acschembio.7b00570
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 137
+CH$NAME: Namalide D
+CH$NAME: 2?({[6?(butan?2?yl)?2,5,8?trioxo?3?(2?phenylethyl)?1,4,7?triazacyclotridecan?9?yl]carbamoyl}amino)?3?methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C29H45N5O6
+CH$EXACT_MASS: 559.3369842
+CH$SMILES: O=C(C(C(C)CC)NC(C(CCCCN1)NC(NC(C(O)=O)C(CC)C)=O)=O)NC(C1=O)CCC2=CC=CC=C2
+CH$IUPAC: InChI=1S/C29H45N5O6/c1-5-18(3)23-27(37)31-22(16-15-20-12-8-7-9-13-20)25(35)30-17-11-10-14-21(26(36)33-23)32-29(40)34-24(28(38)39)19(4)6-2/h7-9,12-13,18-19,21-24H,5-6,10-11,14-17H2,1-4H3,(H,30,35)(H,31,37)(H,33,36)(H,38,39)(H2,32,34,40)
+CH$LINK: PUBCHEM CID:146683660
+CH$LINK: INCHIKEY YLSOIPHOXMRWGW-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 59-591
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.713 min
+MS$FOCUSED_ION: BASE_PEAK 558.3302
+MS$FOCUSED_ION: PRECURSOR_M/Z 558.3297
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-004i-0122900000-442b6fad179584151a48
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  99.0201 C3H3N2O2- 1 99.02 1.13
+  130.0871 C6H12NO2- 1 130.0874 -1.67
+  153.0664 C7H9N2O2- 1 153.067 -3.62
+  203.0815 C9H9N5O- 1 203.0813 1.25
+  279.1816 C14H23N4O2- 2 279.1826 -3.82
+  291.1819 C15H23N4O2- 2 291.1826 -2.62
+  323.1715 C15H23N4O4- 1 323.1725 -3.16
+  335.1725 C16H23N4O4- 2 335.1725 0.09
+  383.2453 C22H31N4O2- 3 383.2452 0.25
+  427.2349 C23H31N4O4- 2 427.2351 -0.49
+PK$NUM_PEAK: 10
+PK$PEAK: m/z int. rel.int.
+  99.0201 33786.3 30
+  130.0871 218899.1 199
+  153.0664 20032.2 18
+  203.0815 32743.3 29
+  279.1816 226468.5 206
+  291.1819 56491.4 51
+  323.1715 65429.1 59
+  335.1725 34994.3 31
+  383.2453 211077.1 192
+  427.2349 1093884.5 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED013756.txt b/Eawag/MSBNK-EAWAG-ED013756.txt
new file mode 100644
index 0000000000..2cbfb39c6f
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED013756.txt
@@ -0,0 +1,64 @@
+ACCESSION: MSBNK-EAWAG-ED013756
+RECORD_TITLE: Namalide D; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], D. Fewer [dtc], J. Jokela [dtc], M. Wahlsten [dtc], T. Shishido [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://pubs.acs.org/doi/10.1021/acschembio.7b00570
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 137
+CH$NAME: Namalide D
+CH$NAME: 2?({[6?(butan?2?yl)?2,5,8?trioxo?3?(2?phenylethyl)?1,4,7?triazacyclotridecan?9?yl]carbamoyl}amino)?3?methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C29H45N5O6
+CH$EXACT_MASS: 559.3369842
+CH$SMILES: O=C(C(C(C)CC)NC(C(CCCCN1)NC(NC(C(O)=O)C(CC)C)=O)=O)NC(C1=O)CCC2=CC=CC=C2
+CH$IUPAC: InChI=1S/C29H45N5O6/c1-5-18(3)23-27(37)31-22(16-15-20-12-8-7-9-13-20)25(35)30-17-11-10-14-21(26(36)33-23)32-29(40)34-24(28(38)39)19(4)6-2/h7-9,12-13,18-19,21-24H,5-6,10-11,14-17H2,1-4H3,(H,30,35)(H,31,37)(H,33,36)(H,38,39)(H2,32,34,40)
+CH$LINK: PUBCHEM CID:146683660
+CH$LINK: INCHIKEY YLSOIPHOXMRWGW-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 59-591
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.713 min
+MS$FOCUSED_ION: BASE_PEAK 558.3302
+MS$FOCUSED_ION: PRECURSOR_M/Z 558.3297
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0059-2980300000-7788fad8751ff89e8b41
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  99.0199 C3H3N2O2- 1 99.02 -0.95
+  130.0872 C6H12NO2- 1 130.0874 -0.85
+  153.0668 C7H9N2O2- 1 153.067 -0.83
+  155.0823 C7H11N2O2- 1 155.0826 -1.64
+  203.0822 C9H9N5O- 2 203.0813 4.63
+  273.1597 C16H21N2O2- 2 273.1609 -4.09
+  279.1816 C14H23N4O2- 2 279.1826 -3.93
+  280.1666 C14H22N3O3- 1 280.1667 -0.22
+  290.1871 C16H24N3O2- 1 290.1874 -1.14
+  335.1723 C16H23N4O4- 2 335.1725 -0.55
+  427.2347 C23H31N4O4- 2 427.2351 -0.78
+PK$NUM_PEAK: 11
+PK$PEAK: m/z int. rel.int.
+  99.0199 106664.8 407
+  130.0872 261187.2 999
+  153.0668 30342 116
+  155.0823 62057.6 237
+  203.0822 36902.1 141
+  273.1597 68776.2 263
+  279.1816 162593 621
+  280.1666 15822.9 60
+  290.1871 66980.3 256
+  335.1723 21942.1 83
+  427.2347 137390.4 525
+//
diff --git a/Eawag/MSBNK-EAWAG-ED013757.txt b/Eawag/MSBNK-EAWAG-ED013757.txt
new file mode 100644
index 0000000000..c85dc34af4
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED013757.txt
@@ -0,0 +1,58 @@
+ACCESSION: MSBNK-EAWAG-ED013757
+RECORD_TITLE: Namalide D; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], D. Fewer [dtc], J. Jokela [dtc], M. Wahlsten [dtc], T. Shishido [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://pubs.acs.org/doi/10.1021/acschembio.7b00570
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 137
+CH$NAME: Namalide D
+CH$NAME: 2?({[6?(butan?2?yl)?2,5,8?trioxo?3?(2?phenylethyl)?1,4,7?triazacyclotridecan?9?yl]carbamoyl}amino)?3?methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C29H45N5O6
+CH$EXACT_MASS: 559.3369842
+CH$SMILES: O=C(C(C(C)CC)NC(C(CCCCN1)NC(NC(C(O)=O)C(CC)C)=O)=O)NC(C1=O)CCC2=CC=CC=C2
+CH$IUPAC: InChI=1S/C29H45N5O6/c1-5-18(3)23-27(37)31-22(16-15-20-12-8-7-9-13-20)25(35)30-17-11-10-14-21(26(36)33-23)32-29(40)34-24(28(38)39)19(4)6-2/h7-9,12-13,18-19,21-24H,5-6,10-11,14-17H2,1-4H3,(H,30,35)(H,31,37)(H,33,36)(H,38,39)(H2,32,34,40)
+CH$LINK: PUBCHEM CID:146683660
+CH$LINK: INCHIKEY YLSOIPHOXMRWGW-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 59-591
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.713 min
+MS$FOCUSED_ION: BASE_PEAK 558.3302
+MS$FOCUSED_ION: PRECURSOR_M/Z 558.3297
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-001i-2920000000-38d5924ec9a6321e37bf
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  99.0198 C3H3N2O2- 1 99.02 -2.03
+  130.0872 C6H12NO2- 1 130.0874 -1.09
+  139.0879 C7H11N2O- 1 139.0877 1.34
+  154.0985 C7H12N3O- 1 154.0986 -0.24
+  155.0825 C7H11N2O2- 1 155.0826 -0.75
+  273.1608 C16H21N2O2- 2 273.1609 -0.18
+  279.1833 C14H23N4O2- 2 279.1826 2.19
+  291.1816 C15H23N4O2- 2 291.1826 -3.67
+PK$NUM_PEAK: 8
+PK$PEAK: m/z int. rel.int.
+  99.0198 82160 364
+  130.0872 224973 999
+  139.0879 20781 92
+  154.0985 35560.6 157
+  155.0825 58805.9 261
+  273.1608 17423.3 77
+  279.1833 40803.6 181
+  291.1816 21476.9 95
+//
diff --git a/Eawag/MSBNK-EAWAG-ED013758.txt b/Eawag/MSBNK-EAWAG-ED013758.txt
new file mode 100644
index 0000000000..20e307bfd1
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED013758.txt
@@ -0,0 +1,52 @@
+ACCESSION: MSBNK-EAWAG-ED013758
+RECORD_TITLE: Namalide D; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], D. Fewer [dtc], J. Jokela [dtc], M. Wahlsten [dtc], T. Shishido [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://pubs.acs.org/doi/10.1021/acschembio.7b00570
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 137
+CH$NAME: Namalide D
+CH$NAME: 2?({[6?(butan?2?yl)?2,5,8?trioxo?3?(2?phenylethyl)?1,4,7?triazacyclotridecan?9?yl]carbamoyl}amino)?3?methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C29H45N5O6
+CH$EXACT_MASS: 559.3369842
+CH$SMILES: O=C(C(C(C)CC)NC(C(CCCCN1)NC(NC(C(O)=O)C(CC)C)=O)=O)NC(C1=O)CCC2=CC=CC=C2
+CH$IUPAC: InChI=1S/C29H45N5O6/c1-5-18(3)23-27(37)31-22(16-15-20-12-8-7-9-13-20)25(35)30-17-11-10-14-21(26(36)33-23)32-29(40)34-24(28(38)39)19(4)6-2/h7-9,12-13,18-19,21-24H,5-6,10-11,14-17H2,1-4H3,(H,30,35)(H,31,37)(H,33,36)(H,38,39)(H2,32,34,40)
+CH$LINK: PUBCHEM CID:146683660
+CH$LINK: INCHIKEY YLSOIPHOXMRWGW-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 59-591
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.713 min
+MS$FOCUSED_ION: BASE_PEAK 558.3302
+MS$FOCUSED_ION: PRECURSOR_M/Z 558.3297
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-001i-3900000000-e0f9d8e2e12eb7b9c3d6
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  91.0555 C7H7- 1 91.0553 1.8
+  99.02 C3H3N2O2- 1 99.02 -0.33
+  111.0199 C4H3N2O2- 1 111.02 -0.54
+  130.0871 C6H12NO2- 1 130.0874 -1.91
+  154.0989 C7H12N3O- 1 154.0986 2.04
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  91.0555 26673.8 157
+  99.02 65247.4 385
+  111.0199 12910.1 76
+  130.0871 168872.3 999
+  154.0989 27028.6 159
+//
diff --git a/Eawag/MSBNK-EAWAG-ED014001.txt b/Eawag/MSBNK-EAWAG-ED014001.txt
new file mode 100644
index 0000000000..68c7273084
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED014001.txt
@@ -0,0 +1,48 @@
+ACCESSION: MSBNK-EAWAG-ED014001
+RECORD_TITLE: Pseudospumigin A; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1093/femsec/fiaa243
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 140
+CH$NAME: Pseudospumigin A
+CH$NAME: (2S,3S)-N-(5-guanidino-1-oxopentan-2-yl)-2-((2R)-2-(2-hydroxy-3-(4-hydroxyphenyl)propanamido)-4-(4-hydroxyphenyl)butanamido)-3-methylpentanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H44N6O7
+CH$EXACT_MASS: 612.3271477
+CH$SMILES: O=C(N[C@@H](C(N[C@H](C(NC(CCCNC(N)=N)C=O)=O)[C@@H](C)CC)=O)CCC1=CC=C(C=C1)O)C(CC2=CC=C(C=C2)O)O
+CH$IUPAC: InChI=1S/C31H44N6O7/c1-3-19(2)27(30(44)35-22(18-38)5-4-16-34-31(32)33)37-28(42)25(15-10-20-6-11-23(39)12-7-20)36-29(43)26(41)17-21-8-13-24(40)14-9-21/h6-9,11-14,18-19,22,25-27,39-41H,3-5,10,15-17H2,1-2H3,(H,35,44)(H,36,43)(H,37,42)(H4,32,33,34)/t19-,22?,25+,26?,27-/m0/s1
+CH$LINK: PUBCHEM CID:155802276
+CH$LINK: INCHIKEY QACTZPSCGSGUNG-GYWLOTNVSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 64-647
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.067 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 613.3344
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03dj-0000059000-8d24cec3ffaadfb4da01
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  553.3013 C30H41N4O6+ 1 553.3021 -1.33
+  595.3235 C31H43N6O6+ 1 595.3239 -0.62
+  613.3343 C31H45N6O7+ 1 613.3344 -0.2
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  553.3013 117469.9 60
+  595.3235 1072366.2 549
+  613.3343 1950964.4 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED014002.txt b/Eawag/MSBNK-EAWAG-ED014002.txt
new file mode 100644
index 0000000000..92e4380558
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED014002.txt
@@ -0,0 +1,48 @@
+ACCESSION: MSBNK-EAWAG-ED014002
+RECORD_TITLE: Pseudospumigin A; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1093/femsec/fiaa243
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 140
+CH$NAME: Pseudospumigin A
+CH$NAME: (2S,3S)-N-(5-guanidino-1-oxopentan-2-yl)-2-((2R)-2-(2-hydroxy-3-(4-hydroxyphenyl)propanamido)-4-(4-hydroxyphenyl)butanamido)-3-methylpentanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H44N6O7
+CH$EXACT_MASS: 612.3271477
+CH$SMILES: O=C(N[C@@H](C(N[C@H](C(NC(CCCNC(N)=N)C=O)=O)[C@@H](C)CC)=O)CCC1=CC=C(C=C1)O)C(CC2=CC=C(C=C2)O)O
+CH$IUPAC: InChI=1S/C31H44N6O7/c1-3-19(2)27(30(44)35-22(18-38)5-4-16-34-31(32)33)37-28(42)25(15-10-20-6-11-23(39)12-7-20)36-29(43)26(41)17-21-8-13-24(40)14-9-21/h6-9,11-14,18-19,22,25-27,39-41H,3-5,10,15-17H2,1-2H3,(H,35,44)(H,36,43)(H,37,42)(H4,32,33,34)/t19-,22?,25+,26?,27-/m0/s1
+CH$LINK: PUBCHEM CID:155802276
+CH$LINK: INCHIKEY QACTZPSCGSGUNG-GYWLOTNVSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 64-647
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.067 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 613.3344
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-01ot-0000096000-03cece8e4a7c47143793
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  553.3021 C30H41N4O6+ 1 553.3021 0
+  595.3236 C31H43N6O6+ 1 595.3239 -0.42
+  613.3345 C31H45N6O7+ 1 613.3344 0.2
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  553.3021 222000.5 139
+  595.3236 1586879.9 999
+  613.3345 1362041.5 857
+//
diff --git a/Eawag/MSBNK-EAWAG-ED014003.txt b/Eawag/MSBNK-EAWAG-ED014003.txt
new file mode 100644
index 0000000000..6aaf212207
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED014003.txt
@@ -0,0 +1,54 @@
+ACCESSION: MSBNK-EAWAG-ED014003
+RECORD_TITLE: Pseudospumigin A; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1093/femsec/fiaa243
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 140
+CH$NAME: Pseudospumigin A
+CH$NAME: (2S,3S)-N-(5-guanidino-1-oxopentan-2-yl)-2-((2R)-2-(2-hydroxy-3-(4-hydroxyphenyl)propanamido)-4-(4-hydroxyphenyl)butanamido)-3-methylpentanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H44N6O7
+CH$EXACT_MASS: 612.3271477
+CH$SMILES: O=C(N[C@@H](C(N[C@H](C(NC(CCCNC(N)=N)C=O)=O)[C@@H](C)CC)=O)CCC1=CC=C(C=C1)O)C(CC2=CC=C(C=C2)O)O
+CH$IUPAC: InChI=1S/C31H44N6O7/c1-3-19(2)27(30(44)35-22(18-38)5-4-16-34-31(32)33)37-28(42)25(15-10-20-6-11-23(39)12-7-20)36-29(43)26(41)17-21-8-13-24(40)14-9-21/h6-9,11-14,18-19,22,25-27,39-41H,3-5,10,15-17H2,1-2H3,(H,35,44)(H,36,43)(H,37,42)(H4,32,33,34)/t19-,22?,25+,26?,27-/m0/s1
+CH$LINK: PUBCHEM CID:155802276
+CH$LINK: INCHIKEY QACTZPSCGSGUNG-GYWLOTNVSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 64-647
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.067 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 613.3344
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-01ot-0000094000-457e35071dd9022c9096
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  86.0964 C5H12N+ 1 86.0964 0.26
+  99.0917 C5H11N2+ 1 99.0917 -0.03
+  342.1332 C19H20NO5+ 2 342.1336 -1.1
+  553.3017 C30H41N4O6+ 1 553.3021 -0.66
+  595.3237 C31H43N6O6+ 1 595.3239 -0.31
+  613.3343 C31H45N6O7+ 1 613.3344 -0.2
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  86.0964 41739.8 28
+  99.0917 103432.3 69
+  342.1332 96720.5 65
+  553.3017 236628.6 159
+  595.3237 1484422.9 999
+  613.3343 936992.8 630
+//
diff --git a/Eawag/MSBNK-EAWAG-ED014004.txt b/Eawag/MSBNK-EAWAG-ED014004.txt
new file mode 100644
index 0000000000..f5c295535c
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED014004.txt
@@ -0,0 +1,56 @@
+ACCESSION: MSBNK-EAWAG-ED014004
+RECORD_TITLE: Pseudospumigin A; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1093/femsec/fiaa243
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 140
+CH$NAME: Pseudospumigin A
+CH$NAME: (2S,3S)-N-(5-guanidino-1-oxopentan-2-yl)-2-((2R)-2-(2-hydroxy-3-(4-hydroxyphenyl)propanamido)-4-(4-hydroxyphenyl)butanamido)-3-methylpentanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H44N6O7
+CH$EXACT_MASS: 612.3271477
+CH$SMILES: O=C(N[C@@H](C(N[C@H](C(NC(CCCNC(N)=N)C=O)=O)[C@@H](C)CC)=O)CCC1=CC=C(C=C1)O)C(CC2=CC=C(C=C2)O)O
+CH$IUPAC: InChI=1S/C31H44N6O7/c1-3-19(2)27(30(44)35-22(18-38)5-4-16-34-31(32)33)37-28(42)25(15-10-20-6-11-23(39)12-7-20)36-29(43)26(41)17-21-8-13-24(40)14-9-21/h6-9,11-14,18-19,22,25-27,39-41H,3-5,10,15-17H2,1-2H3,(H,35,44)(H,36,43)(H,37,42)(H4,32,33,34)/t19-,22?,25+,26?,27-/m0/s1
+CH$LINK: PUBCHEM CID:155802276
+CH$LINK: INCHIKEY QACTZPSCGSGUNG-GYWLOTNVSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 64-647
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.067 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 613.3344
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0002-3002093000-3555766dd04211f80917
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  86.0964 C5H12N+ 1 86.0964 -0.18
+  99.0917 C5H11N2+ 1 99.0917 0.2
+  314.1383 C18H20NO4+ 2 314.1387 -1.12
+  342.1335 C19H20NO5+ 3 342.1336 -0.21
+  553.3029 C30H41N4O6+ 1 553.3021 1.54
+  595.3235 C31H43N6O6+ 1 595.3239 -0.62
+  613.3337 C31H45N6O7+ 1 613.3344 -1.2
+PK$NUM_PEAK: 7
+PK$PEAK: m/z int. rel.int.
+  86.0964 176898.8 189
+  99.0917 273903.2 293
+  314.1383 87282.9 93
+  342.1335 219212.1 234
+  553.3029 147785.6 158
+  595.3235 932032.2 999
+  613.3337 395008.8 423
+//
diff --git a/Eawag/MSBNK-EAWAG-ED014005.txt b/Eawag/MSBNK-EAWAG-ED014005.txt
new file mode 100644
index 0000000000..00a322ffd5
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED014005.txt
@@ -0,0 +1,64 @@
+ACCESSION: MSBNK-EAWAG-ED014005
+RECORD_TITLE: Pseudospumigin A; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1093/femsec/fiaa243
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 140
+CH$NAME: Pseudospumigin A
+CH$NAME: (2S,3S)-N-(5-guanidino-1-oxopentan-2-yl)-2-((2R)-2-(2-hydroxy-3-(4-hydroxyphenyl)propanamido)-4-(4-hydroxyphenyl)butanamido)-3-methylpentanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H44N6O7
+CH$EXACT_MASS: 612.3271477
+CH$SMILES: O=C(N[C@@H](C(N[C@H](C(NC(CCCNC(N)=N)C=O)=O)[C@@H](C)CC)=O)CCC1=CC=C(C=C1)O)C(CC2=CC=C(C=C2)O)O
+CH$IUPAC: InChI=1S/C31H44N6O7/c1-3-19(2)27(30(44)35-22(18-38)5-4-16-34-31(32)33)37-28(42)25(15-10-20-6-11-23(39)12-7-20)36-29(43)26(41)17-21-8-13-24(40)14-9-21/h6-9,11-14,18-19,22,25-27,39-41H,3-5,10,15-17H2,1-2H3,(H,35,44)(H,36,43)(H,37,42)(H4,32,33,34)/t19-,22?,25+,26?,27-/m0/s1
+CH$LINK: PUBCHEM CID:155802276
+CH$LINK: INCHIKEY QACTZPSCGSGUNG-GYWLOTNVSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 64-647
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.067 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 613.3344
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-001a-9422000000-8479198f934cc1cd46c7
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  86.0964 C5H12N+ 1 86.0964 -0.18
+  99.0916 C5H11N2+ 1 99.0917 -0.42
+  107.0491 C7H7O+ 1 107.0491 -0.29
+  133.0646 C9H9O+ 1 133.0648 -1.73
+  141.1132 C6H13N4+ 1 141.1135 -2.04
+  182.0805 C7H10N4O2+ 2 182.0798 3.79
+  208.0964 C9H12N4O2+ 2 208.0955 4.26
+  212.175 C11H22N3O+ 2 212.1757 -3.59
+  314.1381 C18H20NO4+ 2 314.1387 -1.8
+  342.1337 C19H20NO5+ 3 342.1336 0.33
+  595.3239 C31H43N6O6+ 1 595.3239 0.1
+PK$NUM_PEAK: 11
+PK$PEAK: m/z int. rel.int.
+  86.0964 485589.8 999
+  99.0916 357146.7 734
+  107.0491 57709 118
+  133.0646 91232.7 187
+  141.1132 97080.8 199
+  182.0805 197507.5 406
+  208.0964 179110.7 368
+  212.175 41517.2 85
+  314.1381 176584.8 363
+  342.1337 89779.9 184
+  595.3239 75843.1 156
+//
diff --git a/Eawag/MSBNK-EAWAG-ED014006.txt b/Eawag/MSBNK-EAWAG-ED014006.txt
new file mode 100644
index 0000000000..17b2589818
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED014006.txt
@@ -0,0 +1,66 @@
+ACCESSION: MSBNK-EAWAG-ED014006
+RECORD_TITLE: Pseudospumigin A; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1093/femsec/fiaa243
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 140
+CH$NAME: Pseudospumigin A
+CH$NAME: (2S,3S)-N-(5-guanidino-1-oxopentan-2-yl)-2-((2R)-2-(2-hydroxy-3-(4-hydroxyphenyl)propanamido)-4-(4-hydroxyphenyl)butanamido)-3-methylpentanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H44N6O7
+CH$EXACT_MASS: 612.3271477
+CH$SMILES: O=C(N[C@@H](C(N[C@H](C(NC(CCCNC(N)=N)C=O)=O)[C@@H](C)CC)=O)CCC1=CC=C(C=C1)O)C(CC2=CC=C(C=C2)O)O
+CH$IUPAC: InChI=1S/C31H44N6O7/c1-3-19(2)27(30(44)35-22(18-38)5-4-16-34-31(32)33)37-28(42)25(15-10-20-6-11-23(39)12-7-20)36-29(43)26(41)17-21-8-13-24(40)14-9-21/h6-9,11-14,18-19,22,25-27,39-41H,3-5,10,15-17H2,1-2H3,(H,35,44)(H,36,43)(H,37,42)(H4,32,33,34)/t19-,22?,25+,26?,27-/m0/s1
+CH$LINK: PUBCHEM CID:155802276
+CH$LINK: INCHIKEY QACTZPSCGSGUNG-GYWLOTNVSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 64-647
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.067 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 613.3344
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-053j-9710000000-5b2194cf7b5b9b62e794
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  82.065 C5H8N+ 1 82.0651 -0.98
+  86.0964 C5H12N+ 1 86.0964 0.18
+  98.0837 C5H10N2+ 1 98.0838 -1.21
+  99.0917 C5H11N2+ 1 99.0917 0.04
+  100.0757 C5H10NO+ 1 100.0757 -0.28
+  107.0491 C7H7O+ 1 107.0491 -0.07
+  133.0646 C9H9O+ 1 133.0648 -1.16
+  141.1135 C6H13N4+ 1 141.1135 0.12
+  142.0973 C6H12N3O+ 1 142.0975 -1.32
+  150.091 C9H12NO+ 1 150.0913 -2.15
+  182.0806 C7H10N4O2+ 2 182.0798 4.38
+  208.0963 C9H12N4O2+ 2 208.0955 3.74
+PK$NUM_PEAK: 12
+PK$PEAK: m/z int. rel.int.
+  82.065 82911.8 191
+  86.0964 432872.2 999
+  98.0837 35642.9 82
+  99.0917 243092.5 561
+  100.0757 62306.5 143
+  107.0491 210352.8 485
+  133.0646 127888.6 295
+  141.1135 70083.4 161
+  142.0973 24483.1 56
+  150.091 40357.1 93
+  182.0806 105506.2 243
+  208.0963 172614.9 398
+//
diff --git a/Eawag/MSBNK-EAWAG-ED014007.txt b/Eawag/MSBNK-EAWAG-ED014007.txt
new file mode 100644
index 0000000000..f5f6421d17
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED014007.txt
@@ -0,0 +1,52 @@
+ACCESSION: MSBNK-EAWAG-ED014007
+RECORD_TITLE: Pseudospumigin A; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1093/femsec/fiaa243
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 140
+CH$NAME: Pseudospumigin A
+CH$NAME: (2S,3S)-N-(5-guanidino-1-oxopentan-2-yl)-2-((2R)-2-(2-hydroxy-3-(4-hydroxyphenyl)propanamido)-4-(4-hydroxyphenyl)butanamido)-3-methylpentanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H44N6O7
+CH$EXACT_MASS: 612.3271477
+CH$SMILES: O=C(N[C@@H](C(N[C@H](C(NC(CCCNC(N)=N)C=O)=O)[C@@H](C)CC)=O)CCC1=CC=C(C=C1)O)C(CC2=CC=C(C=C2)O)O
+CH$IUPAC: InChI=1S/C31H44N6O7/c1-3-19(2)27(30(44)35-22(18-38)5-4-16-34-31(32)33)37-28(42)25(15-10-20-6-11-23(39)12-7-20)36-29(43)26(41)17-21-8-13-24(40)14-9-21/h6-9,11-14,18-19,22,25-27,39-41H,3-5,10,15-17H2,1-2H3,(H,35,44)(H,36,43)(H,37,42)(H4,32,33,34)/t19-,22?,25+,26?,27-/m0/s1
+CH$LINK: PUBCHEM CID:155802276
+CH$LINK: INCHIKEY QACTZPSCGSGUNG-GYWLOTNVSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 64-647
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.067 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 613.3344
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-053i-9600000000-7a27fbc5dfcc48b70f94
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  82.0651 C5H8N+ 1 82.0651 0.14
+  86.0964 C5H12N+ 1 86.0964 0.09
+  99.0917 C5H11N2+ 1 99.0917 -0.03
+  107.0491 C7H7O+ 1 107.0491 -0.64
+  133.0646 C9H9O+ 1 133.0648 -1.16
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  82.0651 91429.1 256
+  86.0964 355789.4 999
+  99.0917 156906.7 440
+  107.0491 349957.2 982
+  133.0646 116490.1 327
+//
diff --git a/Eawag/MSBNK-EAWAG-ED014008.txt b/Eawag/MSBNK-EAWAG-ED014008.txt
new file mode 100644
index 0000000000..10f3478c31
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED014008.txt
@@ -0,0 +1,54 @@
+ACCESSION: MSBNK-EAWAG-ED014008
+RECORD_TITLE: Pseudospumigin A; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1093/femsec/fiaa243
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 140
+CH$NAME: Pseudospumigin A
+CH$NAME: (2S,3S)-N-(5-guanidino-1-oxopentan-2-yl)-2-((2R)-2-(2-hydroxy-3-(4-hydroxyphenyl)propanamido)-4-(4-hydroxyphenyl)butanamido)-3-methylpentanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H44N6O7
+CH$EXACT_MASS: 612.3271477
+CH$SMILES: O=C(N[C@@H](C(N[C@H](C(NC(CCCNC(N)=N)C=O)=O)[C@@H](C)CC)=O)CCC1=CC=C(C=C1)O)C(CC2=CC=C(C=C2)O)O
+CH$IUPAC: InChI=1S/C31H44N6O7/c1-3-19(2)27(30(44)35-22(18-38)5-4-16-34-31(32)33)37-28(42)25(15-10-20-6-11-23(39)12-7-20)36-29(43)26(41)17-21-8-13-24(40)14-9-21/h6-9,11-14,18-19,22,25-27,39-41H,3-5,10,15-17H2,1-2H3,(H,35,44)(H,36,43)(H,37,42)(H4,32,33,34)/t19-,22?,25+,26?,27-/m0/s1
+CH$LINK: PUBCHEM CID:155802276
+CH$LINK: INCHIKEY QACTZPSCGSGUNG-GYWLOTNVSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 64-647
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.067 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 613.3344
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0a4r-8900000000-1a7d5a3d213d1135d4a9
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  69.0698 C5H9+ 1 69.0699 -0.61
+  82.0651 C5H8N+ 1 82.0651 -0.89
+  86.0964 C5H12N+ 1 86.0964 -0.09
+  99.0915 C5H11N2+ 1 99.0917 -1.26
+  107.049 C7H7O+ 1 107.0491 -0.86
+  133.0646 C9H9O+ 1 133.0648 -1.39
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  69.0698 37851.2 79
+  82.0651 110486 232
+  86.0964 257574.6 542
+  99.0915 111831 235
+  107.049 474309.2 999
+  133.0646 91065.3 191
+//
diff --git a/Eawag/MSBNK-EAWAG-ED014009.txt b/Eawag/MSBNK-EAWAG-ED014009.txt
new file mode 100644
index 0000000000..7c0693709b
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED014009.txt
@@ -0,0 +1,56 @@
+ACCESSION: MSBNK-EAWAG-ED014009
+RECORD_TITLE: Pseudospumigin A; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1093/femsec/fiaa243
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 140
+CH$NAME: Pseudospumigin A
+CH$NAME: (2S,3S)-N-(5-guanidino-1-oxopentan-2-yl)-2-((2R)-2-(2-hydroxy-3-(4-hydroxyphenyl)propanamido)-4-(4-hydroxyphenyl)butanamido)-3-methylpentanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H44N6O7
+CH$EXACT_MASS: 612.3271477
+CH$SMILES: O=C(N[C@@H](C(N[C@H](C(NC(CCCNC(N)=N)C=O)=O)[C@@H](C)CC)=O)CCC1=CC=C(C=C1)O)C(CC2=CC=C(C=C2)O)O
+CH$IUPAC: InChI=1S/C31H44N6O7/c1-3-19(2)27(30(44)35-22(18-38)5-4-16-34-31(32)33)37-28(42)25(15-10-20-6-11-23(39)12-7-20)36-29(43)26(41)17-21-8-13-24(40)14-9-21/h6-9,11-14,18-19,22,25-27,39-41H,3-5,10,15-17H2,1-2H3,(H,35,44)(H,36,43)(H,37,42)(H4,32,33,34)/t19-,22?,25+,26?,27-/m0/s1
+CH$LINK: PUBCHEM CID:155802276
+CH$LINK: INCHIKEY QACTZPSCGSGUNG-GYWLOTNVSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 64-647
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.067 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 613.3344
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0a4i-4900000000-9aeae70944e38fabd5eb
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  82.0652 C5H8N+ 1 82.0651 0.32
+  86.0964 C5H12N+ 1 86.0964 0.18
+  98.084 C5H10N2+ 1 98.0838 1.13
+  99.0918 C5H11N2+ 1 99.0917 0.81
+  100.0756 C5H10NO+ 1 100.0757 -0.66
+  107.0491 C7H7O+ 1 107.0491 -0.22
+  133.0646 C9H9O+ 1 133.0648 -1.27
+PK$NUM_PEAK: 7
+PK$PEAK: m/z int. rel.int.
+  82.0652 122742.5 215
+  86.0964 170273.2 299
+  98.084 19840.8 34
+  99.0918 59483.7 104
+  100.0756 55150.1 96
+  107.0491 568873.3 999
+  133.0646 72709.5 127
+//
diff --git a/Eawag/MSBNK-EAWAG-ED014901.txt b/Eawag/MSBNK-EAWAG-ED014901.txt
new file mode 100644
index 0000000000..07e23a3f64
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED014901.txt
@@ -0,0 +1,56 @@
+ACCESSION: MSBNK-EAWAG-ED014901
+RECORD_TITLE: Sphaerocyclamide; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1038/s41598-018-32618-5
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 149
+CH$NAME: Sphaerocyclamide
+CH$NAME: 3-((3S,6S,12S,15S,18S,21S,26aS)-21-benzyl-15-(hydroxymethyl)-12-isopropyl-3-methyl-18-(4-((3-methylbut-2-en-1-yl)oxy)benzyl)-1,4,7,10,13,16,19,22-octaoxohexacosahydropyrrolo[1,2-a][1,4,7,10,13,16,19,22]octaazacyclotetracosin-6-yl)propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C46H63N9O11
+CH$EXACT_MASS: 917.4647038
+CH$SMILES: C[C@@H](C(N[C@@H](CCC(N)=O)C(NCC(N[C@@H](C(C)C)C(N[C@@H](CO)C(N[C@@H](CC(C=C1)=CC=C1OC/C=C(C)/C)C(N[C@H](C(N2CCC[C@H]2C3=O)=O)CC4=CC=CC=C4)=O)=O)=O)=O)=O)=O)N3[H]
+CH$IUPAC: InChI=1S/C46H63N9O11/c1-26(2)19-21-66-31-15-13-30(14-16-31)22-33-42(61)52-34(23-29-10-7-6-8-11-29)46(65)55-20-9-12-36(55)44(63)49-28(5)40(59)50-32(17-18-37(47)57)41(60)48-24-38(58)54-39(27(3)4)45(64)53-35(25-56)43(62)51-33/h6-8,10-11,13-16,19,27-28,32-36,39,56H,9,12,17-18,20-25H2,1-5H3,(H2,47,57)(H,48,60)(H,49,63)(H,50,59)(H,51,62)(H,52,61)(H,53,64)(H,54,58)/t28-,32-,33-,34-,35-,36-,39-/m0/s1
+CH$LINK: PUBCHEM CID:146683708
+CH$LINK: INCHIKEY JKBXTXMXBDJJQA-SJHSMXDOSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 95-958
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.222 min
+MS$FOCUSED_ION: BASE_PEAK 291.1944
+MS$FOCUSED_ION: PRECURSOR_M/Z 918.472
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-014i-0000000019-7a1bb55e229c6e2a5eb8
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  453.245 C34H31N+ 6 453.2451 -0.16
+  832.398 C41H54N9O10+ 2 832.3988 -0.93
+  850.4085 C41H56N9O11+ 1 850.4094 -1.04
+  890.4763 C45H64N9O10+ 1 890.4771 -0.82
+  900.4606 C46H62N9O10+ 1 900.4614 -0.91
+  901.4452 C46H61N8O11+ 1 901.4454 -0.31
+  918.4707 C46H64N9O11+ 1 918.472 -1.42
+PK$NUM_PEAK: 7
+PK$PEAK: m/z int. rel.int.
+  453.245 2113465 18
+  832.398 1552951.8 13
+  850.4085 14695691 127
+  890.4763 3346318.8 29
+  900.4606 10990760 95
+  901.4452 3186523.8 27
+  918.4707 115030672 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED014902.txt b/Eawag/MSBNK-EAWAG-ED014902.txt
new file mode 100644
index 0000000000..bad09bbea1
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED014902.txt
@@ -0,0 +1,92 @@
+ACCESSION: MSBNK-EAWAG-ED014902
+RECORD_TITLE: Sphaerocyclamide; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1038/s41598-018-32618-5
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 149
+CH$NAME: Sphaerocyclamide
+CH$NAME: 3-((3S,6S,12S,15S,18S,21S,26aS)-21-benzyl-15-(hydroxymethyl)-12-isopropyl-3-methyl-18-(4-((3-methylbut-2-en-1-yl)oxy)benzyl)-1,4,7,10,13,16,19,22-octaoxohexacosahydropyrrolo[1,2-a][1,4,7,10,13,16,19,22]octaazacyclotetracosin-6-yl)propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C46H63N9O11
+CH$EXACT_MASS: 917.4647038
+CH$SMILES: C[C@@H](C(N[C@@H](CCC(N)=O)C(NCC(N[C@@H](C(C)C)C(N[C@@H](CO)C(N[C@@H](CC(C=C1)=CC=C1OC/C=C(C)/C)C(N[C@H](C(N2CCC[C@H]2C3=O)=O)CC4=CC=CC=C4)=O)=O)=O)=O)=O)=O)N3[H]
+CH$IUPAC: InChI=1S/C46H63N9O11/c1-26(2)19-21-66-31-15-13-30(14-16-31)22-33-42(61)52-34(23-29-10-7-6-8-11-29)46(65)55-20-9-12-36(55)44(63)49-28(5)40(59)50-32(17-18-37(47)57)41(60)48-24-38(58)54-39(27(3)4)45(64)53-35(25-56)43(62)51-33/h6-8,10-11,13-16,19,27-28,32-36,39,56H,9,12,17-18,20-25H2,1-5H3,(H2,47,57)(H,48,60)(H,49,63)(H,50,59)(H,51,62)(H,52,61)(H,53,64)(H,54,58)/t28-,32-,33-,34-,35-,36-,39-/m0/s1
+CH$LINK: PUBCHEM CID:146683708
+CH$LINK: INCHIKEY JKBXTXMXBDJJQA-SJHSMXDOSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 95-958
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.222 min
+MS$FOCUSED_ION: BASE_PEAK 291.1944
+MS$FOCUSED_ION: PRECURSOR_M/Z 918.472
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0uxr-0000200179-38c2282c0f90f51d11f4
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  297.1547 C12H25O8+ 3 297.1544 1.04
+  371.2023 C15H27N6O5+ 5 371.2037 -3.99
+  425.25 C18H37N2O9+ 5 425.2494 1.48
+  436.2189 C20H30N5O6+ 6 436.2191 -0.36
+  444.2232 C21H34NO9+ 4 444.2228 0.82
+  453.2451 C34H31N+ 6 453.2451 -0.02
+  554.2605 C42H34O+ 8 554.2604 0.1
+  600.313 C28H46N3O11+ 7 600.3127 0.58
+  687.3464 C32H47N8O9+ 6 687.3461 0.45
+  703.3396 C32H47N8O10+ 7 703.341 -1.95
+  750.3808 C38H52N7O9+ 3 750.3821 -1.77
+  751.3402 C36H47N8O10+ 4 751.341 -0.96
+  753.3906 C37H53N8O9+ 5 753.393 -3.19
+  771.4022 C37H55N8O10+ 3 771.4036 -1.76
+  801.3939 C43H55N5O10+ 5 801.3943 -0.52
+  807.4386 C41H59N8O9+ 2 807.44 -1.73
+  819.4015 C41H55N8O10+ 2 819.4036 -2.58
+  822.4149 C40H56N9O10+ 3 822.4145 0.58
+  832.398 C41H54N9O10+ 2 832.3988 -1
+  850.4083 C41H56N9O11+ 1 850.4094 -1.33
+  872.4649 C45H62N9O9+ 1 872.4665 -1.83
+  890.4758 C45H64N9O10+ 1 890.4771 -1.44
+  900.4604 C46H62N9O10+ 1 900.4614 -1.12
+  901.445 C46H61N8O11+ 1 901.4454 -0.51
+  918.4711 C46H64N9O11+ 1 918.472 -0.95
+PK$NUM_PEAK: 25
+PK$PEAK: m/z int. rel.int.
+  297.1547 4134044.2 138
+  371.2023 937779.6 31
+  425.25 1659298.8 55
+  436.2189 946791.3 31
+  444.2232 937532.8 31
+  453.2451 7402637 248
+  554.2605 1141379.6 38
+  600.313 1580170.4 53
+  687.3464 913536.4 30
+  703.3396 1544693 51
+  750.3808 763872.4 25
+  751.3402 853355.3 28
+  753.3906 1272431.5 42
+  771.4022 2164975.8 72
+  801.3939 1649245.2 55
+  807.4386 1013304.8 34
+  819.4015 1402614.8 47
+  822.4149 2172571.2 73
+  832.398 4111794 138
+  850.4083 14545210 489
+  872.4649 1047776.2 35
+  890.4758 7662135 257
+  900.4604 9648607 324
+  901.445 2677899.8 90
+  918.4711 29712442 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED014903.txt b/Eawag/MSBNK-EAWAG-ED014903.txt
new file mode 100644
index 0000000000..34bba78ec1
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED014903.txt
@@ -0,0 +1,124 @@
+ACCESSION: MSBNK-EAWAG-ED014903
+RECORD_TITLE: Sphaerocyclamide; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1038/s41598-018-32618-5
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 149
+CH$NAME: Sphaerocyclamide
+CH$NAME: 3-((3S,6S,12S,15S,18S,21S,26aS)-21-benzyl-15-(hydroxymethyl)-12-isopropyl-3-methyl-18-(4-((3-methylbut-2-en-1-yl)oxy)benzyl)-1,4,7,10,13,16,19,22-octaoxohexacosahydropyrrolo[1,2-a][1,4,7,10,13,16,19,22]octaazacyclotetracosin-6-yl)propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C46H63N9O11
+CH$EXACT_MASS: 917.4647038
+CH$SMILES: C[C@@H](C(N[C@@H](CCC(N)=O)C(NCC(N[C@@H](C(C)C)C(N[C@@H](CO)C(N[C@@H](CC(C=C1)=CC=C1OC/C=C(C)/C)C(N[C@H](C(N2CCC[C@H]2C3=O)=O)CC4=CC=CC=C4)=O)=O)=O)=O)=O)=O)N3[H]
+CH$IUPAC: InChI=1S/C46H63N9O11/c1-26(2)19-21-66-31-15-13-30(14-16-31)22-33-42(61)52-34(23-29-10-7-6-8-11-29)46(65)55-20-9-12-36(55)44(63)49-28(5)40(59)50-32(17-18-37(47)57)41(60)48-24-38(58)54-39(27(3)4)45(64)53-35(25-56)43(62)51-33/h6-8,10-11,13-16,19,27-28,32-36,39,56H,9,12,17-18,20-25H2,1-5H3,(H2,47,57)(H,48,60)(H,49,63)(H,50,59)(H,51,62)(H,52,61)(H,53,64)(H,54,58)/t28-,32-,33-,34-,35-,36-,39-/m0/s1
+CH$LINK: PUBCHEM CID:146683708
+CH$LINK: INCHIKEY JKBXTXMXBDJJQA-SJHSMXDOSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 95-958
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.222 min
+MS$FOCUSED_ION: BASE_PEAK 291.1944
+MS$FOCUSED_ION: PRECURSOR_M/Z 918.472
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0udi-0175932463-48ba4e8f59ab6f9c6280
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  100.0521 C5H8O2+ 1 100.0519 1.88
+  101.0707 C4H9N2O+ 1 101.0709 -2.69
+  120.0805 C8H10N+ 1 120.0808 -2.01
+  169.0969 C8H13N2O2+ 1 169.0972 -1.41
+  186.1232 C6H14N6O+ 2 186.1224 4.61
+  204.1381 C13H18NO+ 1 204.1383 -0.72
+  244.1284 C8H16N6O3+ 2 244.1278 2.4
+  257.1599 C10H25O7+ 3 257.1595 1.52
+  285.1546 C11H25O8+ 3 285.1544 0.72
+  291.1694 C16H23N2O3+ 2 291.1703 -3.29
+  297.1548 C12H25O8+ 3 297.1544 1.45
+  337.1488 C13H19N7O4+ 3 337.1493 -1.61
+  342.2131 C15H28N5O4+ 3 342.2136 -1.52
+  354.1763 C14H28NO9+ 4 354.1759 1.19
+  355.1605 C14H27O10+ 3 355.1599 1.69
+  371.2033 C15H27N6O5+ 4 371.2037 -1.11
+  379.2003 C23H27N2O3+ 5 379.2016 -3.41
+  425.2504 C18H37N2O9+ 4 425.2494 2.42
+  436.2193 C20H30N5O6+ 6 436.2191 0.54
+  444.2234 C21H34NO9+ 6 444.2228 1.23
+  453.2452 C34H31N+ 5 453.2451 0.24
+  523.2521 C25H37N3O9+ 6 523.2524 -0.69
+  540.2779 C23H38N7O8+ 6 540.2776 0.42
+  555.2918 C28H39N6O6+ 7 555.2926 -1.4
+  586.2609 C41H34N2O2+ 7 586.2615 -0.98
+  600.3129 C28H46N3O11+ 8 600.3127 0.28
+  654.3234 C44H40N5O+ 8 654.3227 0.99
+  686.3141 C35H42N8O7+ 7 686.3171 -4.32
+  687.346 C32H47N8O9+ 8 687.3461 -0.08
+  703.3416 C32H47N8O10+ 6 703.341 0.83
+  743.407 C36H55N8O9+ 4 743.4087 -2.2
+  751.3404 C36H47N8O10+ 4 751.341 -0.72
+  753.3914 C37H53N8O9+ 3 753.393 -2.13
+  771.4034 C37H55N8O10+ 3 771.4036 -0.26
+  822.4146 C40H56N9O10+ 3 822.4145 0.21
+  850.4075 C41H56N9O11+ 1 850.4094 -2.19
+  872.4647 C45H62N9O9+ 1 872.4665 -2.11
+  873.4503 C45H61N8O10+ 1 873.4505 -0.22
+  890.4762 C45H64N9O10+ 1 890.4771 -0.96
+  900.4594 C46H62N9O10+ 1 900.4614 -2.2
+  918.4709 C46H64N9O11+ 1 918.472 -1.22
+PK$NUM_PEAK: 41
+PK$PEAK: m/z int. rel.int.
+  100.0521 83549.4 11
+  101.0707 415135.8 55
+  120.0805 358601.5 47
+  169.0969 774054 102
+  186.1232 1167162.2 154
+  204.1381 452614.6 60
+  244.1284 239932.6 31
+  257.1599 426811.8 56
+  285.1546 930713.2 123
+  291.1694 407600.7 54
+  297.1548 7534240.5 999
+  337.1488 478483.2 63
+  342.2131 224908.9 29
+  354.1763 4577648 606
+  355.1605 394486.9 52
+  371.2033 1192458.9 158
+  379.2003 395395.6 52
+  425.2504 3865174.5 512
+  436.2193 1225947.2 162
+  444.2234 1193992.2 158
+  453.2452 6459477 856
+  523.2521 1004363.4 133
+  540.2779 2575952.5 341
+  555.2918 739489.8 98
+  586.2609 1221083.8 161
+  600.3129 1358597.8 180
+  654.3234 954868.9 126
+  686.3141 490934.9 65
+  687.346 1208226.8 160
+  703.3416 1654174.6 219
+  743.407 917798.9 121
+  751.3404 873450.1 115
+  753.3914 1130218 149
+  771.4034 1125272.2 149
+  822.4146 1969181.6 261
+  850.4075 2981153 395
+  872.4647 821503.2 108
+  873.4503 705337.9 93
+  890.4762 3032856.5 402
+  900.4594 2058263.5 272
+  918.4709 2415179.2 320
+//
diff --git a/Eawag/MSBNK-EAWAG-ED014904.txt b/Eawag/MSBNK-EAWAG-ED014904.txt
new file mode 100644
index 0000000000..b1fc452b3b
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED014904.txt
@@ -0,0 +1,102 @@
+ACCESSION: MSBNK-EAWAG-ED014904
+RECORD_TITLE: Sphaerocyclamide; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1038/s41598-018-32618-5
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 149
+CH$NAME: Sphaerocyclamide
+CH$NAME: 3-((3S,6S,12S,15S,18S,21S,26aS)-21-benzyl-15-(hydroxymethyl)-12-isopropyl-3-methyl-18-(4-((3-methylbut-2-en-1-yl)oxy)benzyl)-1,4,7,10,13,16,19,22-octaoxohexacosahydropyrrolo[1,2-a][1,4,7,10,13,16,19,22]octaazacyclotetracosin-6-yl)propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C46H63N9O11
+CH$EXACT_MASS: 917.4647038
+CH$SMILES: C[C@@H](C(N[C@@H](CCC(N)=O)C(NCC(N[C@@H](C(C)C)C(N[C@@H](CO)C(N[C@@H](CC(C=C1)=CC=C1OC/C=C(C)/C)C(N[C@H](C(N2CCC[C@H]2C3=O)=O)CC4=CC=CC=C4)=O)=O)=O)=O)=O)=O)N3[H]
+CH$IUPAC: InChI=1S/C46H63N9O11/c1-26(2)19-21-66-31-15-13-30(14-16-31)22-33-42(61)52-34(23-29-10-7-6-8-11-29)46(65)55-20-9-12-36(55)44(63)49-28(5)40(59)50-32(17-18-37(47)57)41(60)48-24-38(58)54-39(27(3)4)45(64)53-35(25-56)43(62)51-33/h6-8,10-11,13-16,19,27-28,32-36,39,56H,9,12,17-18,20-25H2,1-5H3,(H2,47,57)(H,48,60)(H,49,63)(H,50,59)(H,51,62)(H,52,61)(H,53,64)(H,54,58)/t28-,32-,33-,34-,35-,36-,39-/m0/s1
+CH$LINK: PUBCHEM CID:146683708
+CH$LINK: INCHIKEY JKBXTXMXBDJJQA-SJHSMXDOSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 95-958
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.222 min
+MS$FOCUSED_ION: BASE_PEAK 291.1944
+MS$FOCUSED_ION: PRECURSOR_M/Z 918.472
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0uds-0596320000-2f64603c3ad7e8372889
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  101.0708 C4H9N2O+ 1 101.0709 -1.1
+  120.0805 C8H10N+ 1 120.0808 -2.2
+  136.0755 C8H10NO+ 1 136.0757 -1.29
+  141.1019 C7H13N2O+ 1 141.1022 -2.29
+  169.0967 C8H13N2O2+ 1 169.0972 -2.41
+  186.0879 C7H12N3O3+ 2 186.0873 3.35
+  186.1231 C6H14N6O+ 2 186.1224 3.71
+  200.1025 C8H14N3O3+ 2 200.103 -2.27
+  204.1376 C13H18NO+ 2 204.1383 -3.56
+  226.1178 C8H14N6O2+ 2 226.1173 2.21
+  244.1278 C8H16N6O3+ 1 244.1278 -0.29
+  251.1017 C10H13N5O3+ 2 251.1013 1.6
+  257.1601 C10H25O7+ 3 257.1595 2.35
+  269.1599 C11H25O7+ 3 269.1595 1.45
+  285.1176 C9H15N7O4+ 3 285.118 -1.48
+  285.1549 C11H25O8+ 3 285.1544 1.68
+  291.1695 C16H23N2O3+ 3 291.1703 -2.66
+  297.1548 C12H25O8+ 3 297.1544 1.45
+  316.1653 C17H22N3O3+ 4 316.1656 -0.74
+  333.1928 C3H27N9O9+ 4 333.1926 0.63
+  337.1489 C13H19N7O4+ 3 337.1493 -1.34
+  351.2055 C20H25N5O+ 6 351.2054 0.49
+  354.1765 C14H28NO9+ 3 354.1759 1.79
+  371.2044 C15H27N6O5+ 2 371.2037 1.77
+  425.2507 C18H37N2O9+ 4 425.2494 3.21
+  444.2228 C21H34NO9+ 4 444.2228 0
+  472.2173 C37H28+ 6 472.2186 -2.64
+  540.278 C23H38N7O8+ 6 540.2776 0.64
+  555.2921 C28H39N6O6+ 7 555.2926 -0.85
+  586.2616 C41H34N2O2+ 7 586.2615 0.16
+PK$NUM_PEAK: 30
+PK$PEAK: m/z int. rel.int.
+  101.0708 1417898.8 188
+  120.0805 1008018.4 134
+  136.0755 609306.1 81
+  141.1019 815671.1 108
+  169.0967 1844203.8 245
+  186.0879 688189.1 91
+  186.1231 1903277 253
+  200.1025 425051.1 56
+  204.1376 1243035.2 165
+  226.1178 492140.4 65
+  244.1278 445007.8 59
+  251.1017 300837.1 40
+  257.1601 580243.4 77
+  269.1599 632342.7 84
+  285.1176 368570.4 49
+  285.1549 1431250.9 190
+  291.1695 1343496 178
+  297.1548 7505111 999
+  316.1653 709538 94
+  333.1928 412693.1 54
+  337.1489 1105320 147
+  351.2055 623271 82
+  354.1765 6444212 857
+  371.2044 691003 91
+  425.2507 3788021 504
+  444.2228 827776.6 110
+  472.2173 658353.4 87
+  540.278 1621927.5 215
+  555.2921 714617.8 95
+  586.2616 1380854.8 183
+//
diff --git a/Eawag/MSBNK-EAWAG-ED014905.txt b/Eawag/MSBNK-EAWAG-ED014905.txt
new file mode 100644
index 0000000000..e8eebf6994
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED014905.txt
@@ -0,0 +1,152 @@
+ACCESSION: MSBNK-EAWAG-ED014905
+RECORD_TITLE: Sphaerocyclamide; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1038/s41598-018-32618-5
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 149
+CH$NAME: Sphaerocyclamide
+CH$NAME: 3-((3S,6S,12S,15S,18S,21S,26aS)-21-benzyl-15-(hydroxymethyl)-12-isopropyl-3-methyl-18-(4-((3-methylbut-2-en-1-yl)oxy)benzyl)-1,4,7,10,13,16,19,22-octaoxohexacosahydropyrrolo[1,2-a][1,4,7,10,13,16,19,22]octaazacyclotetracosin-6-yl)propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C46H63N9O11
+CH$EXACT_MASS: 917.4647038
+CH$SMILES: C[C@@H](C(N[C@@H](CCC(N)=O)C(NCC(N[C@@H](C(C)C)C(N[C@@H](CO)C(N[C@@H](CC(C=C1)=CC=C1OC/C=C(C)/C)C(N[C@H](C(N2CCC[C@H]2C3=O)=O)CC4=CC=CC=C4)=O)=O)=O)=O)=O)=O)N3[H]
+CH$IUPAC: InChI=1S/C46H63N9O11/c1-26(2)19-21-66-31-15-13-30(14-16-31)22-33-42(61)52-34(23-29-10-7-6-8-11-29)46(65)55-20-9-12-36(55)44(63)49-28(5)40(59)50-32(17-18-37(47)57)41(60)48-24-38(58)54-39(27(3)4)45(64)53-35(25-56)43(62)51-33/h6-8,10-11,13-16,19,27-28,32-36,39,56H,9,12,17-18,20-25H2,1-5H3,(H2,47,57)(H,48,60)(H,49,63)(H,50,59)(H,51,62)(H,52,61)(H,53,64)(H,54,58)/t28-,32-,33-,34-,35-,36-,39-/m0/s1
+CH$LINK: PUBCHEM CID:146683708
+CH$LINK: INCHIKEY JKBXTXMXBDJJQA-SJHSMXDOSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 95-958
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.222 min
+MS$FOCUSED_ION: BASE_PEAK 291.1944
+MS$FOCUSED_ION: PRECURSOR_M/Z 918.472
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0udl-0972000000-17c68e31de52770d0595
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  101.0708 C4H9N2O+ 1 101.0709 -1.25
+  107.0489 C7H7O+ 1 107.0491 -2.42
+  112.0758 C6H10NO+ 1 112.0757 0.77
+  115.0864 C5H11N2O+ 1 115.0866 -1.8
+  120.0806 C8H10N+ 1 120.0808 -1.63
+  129.0662 C5H9N2O2+ 1 129.0659 3.07
+  129.102 C6H13N2O+ 1 129.1022 -2.2
+  136.0755 C8H10NO+ 1 136.0757 -1.29
+  141.102 C7H13N2O+ 1 141.1022 -1.65
+  153.1022 C8H13N2O+ 1 153.1022 -0.37
+  155.0812 C7H11N2O2+ 1 155.0815 -1.94
+  157.0968 C7H13N2O2+ 1 157.0972 -2.16
+  168.0766 C7H10N3O2+ 1 168.0768 -0.66
+  169.0607 C7H9N2O3+ 1 169.0608 -0.28
+  169.0968 C8H13N2O2+ 1 169.0972 -1.86
+  172.1115 C12H14N+ 1 172.1121 -3.06
+  183.076 C8H11N2O3+ 1 183.0764 -2.19
+  186.0874 C7H12N3O3+ 1 186.0873 0.56
+  186.1228 C6H14N6O+ 2 186.1224 2.39
+  187.1072 C8H15N2O3+ 2 187.1077 -2.75
+  188.0708 C11H10NO2+ 1 188.0706 0.97
+  188.1064 C12H14NO+ 2 188.107 -3.37
+  200.1026 C8H14N3O3+ 1 200.103 -1.66
+  204.1376 C13H18NO+ 2 204.1383 -3.41
+  205.097 C11H13N2O2+ 1 205.0972 -0.54
+  212.1028 C9H14N3O3+ 1 212.103 -0.7
+  217.1328 C11H15N5+ 2 217.1322 2.66
+  221.0915 C11H13N2O3+ 2 221.0921 -2.45
+  222.1235 C11H16N3O2+ 1 222.1237 -0.78
+  223.1073 C11H15N2O3+ 2 223.1077 -1.8
+  239.1494 C10H23O6+ 3 239.1489 2.2
+  240.0976 C10H14N3O4+ 2 240.0979 -1.03
+  240.1336 C9H16N6O2+ 2 240.1329 3
+  244.1276 C8H16N6O3+ 3 244.1278 -0.79
+  245.1275 C12H15N5O+ 2 245.1271 1.55
+  251.102 C10H13N5O3+ 2 251.1013 2.93
+  257.124 C10H17N4O4+ 3 257.1244 -1.51
+  266.1141 C12H16N3O4+ 3 266.1135 1.95
+  268.1283 C10H16N6O3+ 2 268.1278 1.64
+  271.1799 C2H29N3O11+ 4 271.1797 0.76
+  273.1574 C13H23NO5+ 3 273.1571 1.25
+  283.1422 H23N6O11+ 4 283.1419 1.06
+  285.1186 C10H21O9+ 3 285.118 2.04
+  285.1555 C11H25O8+ 3 285.1544 4.04
+  291.1696 C16H23N2O3+ 3 291.1703 -2.34
+  293.16 H23N9O9+ 4 293.1613 -4.52
+  297.1549 C12H25O8+ 3 297.1544 1.66
+  298.155 C17H20N3O2+ 4 298.155 -0.07
+  306.1851 C21H24NO+ 5 306.1852 -0.45
+  316.1656 C17H22N3O3+ 4 316.1656 0.13
+  336.1659 C14H26NO8+ 3 336.1653 1.73
+  337.1496 C14H25O9+ 5 337.1493 0.82
+  354.1765 C14H28NO9+ 3 354.1759 1.7
+  355.1601 C14H27O10+ 4 355.1599 0.75
+  425.2506 C18H37N2O9+ 4 425.2494 2.99
+PK$NUM_PEAK: 55
+PK$PEAK: m/z int. rel.int.
+  101.0708 3723260 874
+  107.0489 522712.7 122
+  112.0758 142126.8 33
+  115.0864 497251.9 116
+  120.0806 2299154.8 540
+  129.0662 163052.4 38
+  129.102 846585.4 198
+  136.0755 2733491 642
+  141.102 3773889.8 886
+  153.1022 140975.2 33
+  155.0812 309212.2 72
+  157.0968 625754.2 147
+  168.0766 832101.4 195
+  169.0607 558533.4 131
+  169.0968 4251846.5 999
+  172.1115 559457.5 131
+  183.076 397723.5 93
+  186.0874 1828598.6 429
+  186.1228 1917460 450
+  187.1072 400481.8 94
+  188.0708 140042.2 32
+  188.1064 606165.4 142
+  200.1026 1142889.8 268
+  204.1376 1968368.2 462
+  205.097 501975.6 117
+  212.1028 223550.9 52
+  217.1328 903474.4 212
+  221.0915 518093.1 121
+  222.1235 153345.5 36
+  223.1073 1090561.2 256
+  239.1494 461750.8 108
+  240.0976 702109 164
+  240.1336 1095517.8 257
+  244.1276 675722.8 158
+  245.1275 1075523.5 252
+  251.102 347527.5 81
+  257.124 979597.7 230
+  266.1141 568135.3 133
+  268.1283 775379.3 182
+  271.1799 287293 67
+  273.1574 155359.2 36
+  283.1422 395620.3 92
+  285.1186 450961.3 105
+  285.1555 1085228 254
+  291.1696 3008658.5 706
+  293.16 203323.4 47
+  297.1549 3948942.5 927
+  298.155 356830.3 83
+  306.1851 155846.9 36
+  316.1656 453757.2 106
+  336.1659 887021.6 208
+  337.1496 1558589.8 366
+  354.1765 3800391 892
+  355.1601 622374.1 146
+  425.2506 1109980.5 260
+//
diff --git a/Eawag/MSBNK-EAWAG-ED014906.txt b/Eawag/MSBNK-EAWAG-ED014906.txt
new file mode 100644
index 0000000000..e948a11056
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED014906.txt
@@ -0,0 +1,156 @@
+ACCESSION: MSBNK-EAWAG-ED014906
+RECORD_TITLE: Sphaerocyclamide; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1038/s41598-018-32618-5
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 149
+CH$NAME: Sphaerocyclamide
+CH$NAME: 3-((3S,6S,12S,15S,18S,21S,26aS)-21-benzyl-15-(hydroxymethyl)-12-isopropyl-3-methyl-18-(4-((3-methylbut-2-en-1-yl)oxy)benzyl)-1,4,7,10,13,16,19,22-octaoxohexacosahydropyrrolo[1,2-a][1,4,7,10,13,16,19,22]octaazacyclotetracosin-6-yl)propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C46H63N9O11
+CH$EXACT_MASS: 917.4647038
+CH$SMILES: C[C@@H](C(N[C@@H](CCC(N)=O)C(NCC(N[C@@H](C(C)C)C(N[C@@H](CO)C(N[C@@H](CC(C=C1)=CC=C1OC/C=C(C)/C)C(N[C@H](C(N2CCC[C@H]2C3=O)=O)CC4=CC=CC=C4)=O)=O)=O)=O)=O)=O)N3[H]
+CH$IUPAC: InChI=1S/C46H63N9O11/c1-26(2)19-21-66-31-15-13-30(14-16-31)22-33-42(61)52-34(23-29-10-7-6-8-11-29)46(65)55-20-9-12-36(55)44(63)49-28(5)40(59)50-32(17-18-37(47)57)41(60)48-24-38(58)54-39(27(3)4)45(64)53-35(25-56)43(62)51-33/h6-8,10-11,13-16,19,27-28,32-36,39,56H,9,12,17-18,20-25H2,1-5H3,(H2,47,57)(H,48,60)(H,49,63)(H,50,59)(H,51,62)(H,52,61)(H,53,64)(H,54,58)/t28-,32-,33-,34-,35-,36-,39-/m0/s1
+CH$LINK: PUBCHEM CID:146683708
+CH$LINK: INCHIKEY JKBXTXMXBDJJQA-SJHSMXDOSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 95-958
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.222 min
+MS$FOCUSED_ION: BASE_PEAK 291.1944
+MS$FOCUSED_ION: PRECURSOR_M/Z 918.472
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00rf-0930000000-8f43d69f161bbb14bd84
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  98.06 C5H8NO+ 1 98.06 -0.51
+  101.0708 C4H9N2O+ 1 101.0709 -1.25
+  107.0491 C7H7O+ 1 107.0491 -0.28
+  112.0755 C6H10NO+ 1 112.0757 -1.41
+  115.0863 C5H11N2O+ 1 115.0866 -2.2
+  119.049 C8H7O+ 1 119.0491 -0.92
+  120.0806 C8H10N+ 1 120.0808 -1.63
+  124.1117 C8H14N+ 1 124.1121 -2.67
+  129.0657 C5H9N2O2+ 1 129.0659 -1.07
+  129.102 C6H13N2O+ 1 129.1022 -1.49
+  136.0755 C8H10NO+ 1 136.0757 -1.51
+  139.087 C7H11N2O+ 1 139.0866 2.94
+  140.0818 C6H10N3O+ 1 140.0818 -0.55
+  141.0655 C6H9N2O2+ 1 141.0659 -2.67
+  141.102 C7H13N2O+ 1 141.1022 -1.65
+  146.0962 C10H12N+ 1 146.0964 -1.83
+  155.0812 C7H11N2O2+ 1 155.0815 -1.84
+  157.097 C7H13N2O2+ 1 157.0972 -0.8
+  158.0922 C6H12N3O2+ 1 158.0924 -1.43
+  160.0756 C10H10NO+ 1 160.0757 -0.52
+  162.0913 C10H12NO+ 1 162.0913 -0.31
+  165.1023 C9H13N2O+ 1 165.1022 0.28
+  166.0497 C8H8NO3+ 1 166.0499 -1.29
+  168.0765 C7H10N3O2+ 1 168.0768 -1.48
+  169.0604 C7H9N2O3+ 1 169.0608 -1.9
+  169.0968 C8H13N2O2+ 1 169.0972 -2.04
+  172.1116 C12H14N+ 1 172.1121 -2.71
+  174.1271 C12H16N+ 1 174.1277 -3.5
+  178.0857 C10H12NO2+ 2 178.0863 -2.97
+  183.0761 C8H11N2O3+ 1 183.0764 -1.69
+  186.0874 C7H12N3O3+ 1 186.0873 0.39
+  186.1225 C6H14N6O+ 1 186.1224 0.84
+  187.1078 C8H15N2O3+ 1 187.1077 0.43
+  188.1064 C12H14NO+ 2 188.107 -3.29
+  200.1025 C8H14N3O3+ 2 200.103 -2.12
+  204.1378 C13H18NO+ 2 204.1383 -2.37
+  205.0964 C11H13N2O2+ 2 205.0972 -3.51
+  217.133 C13H17N2O+ 2 217.1335 -2.26
+  221.0915 C11H13N2O3+ 2 221.0921 -2.45
+  223.1075 C11H15N2O3+ 2 223.1077 -1.19
+  226.1177 C8H14N6O2+ 2 226.1173 1.8
+  231.1485 C14H19N2O+ 2 231.1492 -2.97
+  238.1208 C13H18O4+ 4 238.12 3.36
+  239.1493 C10H23O6+ 3 239.1489 1.44
+  240.0977 C10H14N3O4+ 2 240.0979 -0.91
+  240.1337 C9H16N6O2+ 2 240.1329 3.25
+  244.1283 C8H16N6O3+ 2 244.1278 1.71
+  245.1278 C12H15N5O+ 3 245.1271 2.61
+  257.1243 C10H17N4O4+ 3 257.1244 -0.32
+  268.128 C10H16N6O3+ 2 268.1278 0.62
+  269.1598 C11H25O7+ 3 269.1595 1.22
+  276.1335 C12H16N6O2+ 3 276.1329 2.2
+  285.1185 C10H21O9+ 3 285.118 1.82
+  285.1556 C11H25O8+ 3 285.1544 4.36
+  291.1697 C16H23N2O3+ 3 291.1703 -2.24
+  297.1546 C12H25O8+ 3 297.1544 0.63
+  336.1664 C14H26NO8+ 5 336.1653 3.36
+PK$NUM_PEAK: 57
+PK$PEAK: m/z int. rel.int.
+  98.06 204743.5 33
+  101.0708 3864795.2 627
+  107.0491 742486.6 120
+  112.0755 375588 60
+  115.0863 290697.1 47
+  119.049 291082.7 47
+  120.0806 3461380.2 561
+  124.1117 507105.2 82
+  129.0657 278162.4 45
+  129.102 1474200.6 239
+  136.0755 4971985.5 806
+  139.087 175969.2 28
+  140.0818 417714.9 67
+  141.0655 613929.4 99
+  141.102 6156408 999
+  146.0962 139258.7 22
+  155.0812 506529.2 82
+  157.097 793724.8 128
+  158.0922 561056.8 91
+  160.0756 402329.8 65
+  162.0913 382732.7 62
+  165.1023 189958.6 30
+  166.0497 237288.3 38
+  168.0765 1612146.4 261
+  169.0604 932628.1 151
+  169.0968 3758580.8 609
+  172.1116 960305.6 155
+  174.1271 481174.5 78
+  178.0857 453869.9 73
+  183.0761 823838.3 133
+  186.0874 1815264.5 294
+  186.1225 1169769.8 189
+  187.1078 362275.4 58
+  188.1064 962699.5 156
+  200.1025 1294118.2 209
+  204.1378 1396926.4 226
+  205.0964 286025.3 46
+  217.133 690173.7 111
+  221.0915 400677.1 65
+  223.1075 1546567.8 250
+  226.1177 822594.2 133
+  231.1485 341380.2 55
+  238.1208 699170 113
+  239.1493 376997.4 61
+  240.0977 861520.6 139
+  240.1337 761658.1 123
+  244.1283 448912.9 72
+  245.1278 566760.8 91
+  257.1243 916463.6 148
+  268.128 611381.8 99
+  269.1598 274871.7 44
+  276.1335 238444.5 38
+  285.1185 148910.7 24
+  285.1556 349300.4 56
+  291.1697 1780651.1 288
+  297.1546 965671.8 156
+  336.1664 477931.6 77
+//
diff --git a/Eawag/MSBNK-EAWAG-ED014907.txt b/Eawag/MSBNK-EAWAG-ED014907.txt
new file mode 100644
index 0000000000..f5ad5cb1e8
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED014907.txt
@@ -0,0 +1,134 @@
+ACCESSION: MSBNK-EAWAG-ED014907
+RECORD_TITLE: Sphaerocyclamide; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1038/s41598-018-32618-5
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 149
+CH$NAME: Sphaerocyclamide
+CH$NAME: 3-((3S,6S,12S,15S,18S,21S,26aS)-21-benzyl-15-(hydroxymethyl)-12-isopropyl-3-methyl-18-(4-((3-methylbut-2-en-1-yl)oxy)benzyl)-1,4,7,10,13,16,19,22-octaoxohexacosahydropyrrolo[1,2-a][1,4,7,10,13,16,19,22]octaazacyclotetracosin-6-yl)propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C46H63N9O11
+CH$EXACT_MASS: 917.4647038
+CH$SMILES: C[C@@H](C(N[C@@H](CCC(N)=O)C(NCC(N[C@@H](C(C)C)C(N[C@@H](CO)C(N[C@@H](CC(C=C1)=CC=C1OC/C=C(C)/C)C(N[C@H](C(N2CCC[C@H]2C3=O)=O)CC4=CC=CC=C4)=O)=O)=O)=O)=O)=O)N3[H]
+CH$IUPAC: InChI=1S/C46H63N9O11/c1-26(2)19-21-66-31-15-13-30(14-16-31)22-33-42(61)52-34(23-29-10-7-6-8-11-29)46(65)55-20-9-12-36(55)44(63)49-28(5)40(59)50-32(17-18-37(47)57)41(60)48-24-38(58)54-39(27(3)4)45(64)53-35(25-56)43(62)51-33/h6-8,10-11,13-16,19,27-28,32-36,39,56H,9,12,17-18,20-25H2,1-5H3,(H2,47,57)(H,48,60)(H,49,63)(H,50,59)(H,51,62)(H,52,61)(H,53,64)(H,54,58)/t28-,32-,33-,34-,35-,36-,39-/m0/s1
+CH$LINK: PUBCHEM CID:146683708
+CH$LINK: INCHIKEY JKBXTXMXBDJJQA-SJHSMXDOSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 95-958
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.222 min
+MS$FOCUSED_ION: BASE_PEAK 291.1944
+MS$FOCUSED_ION: PRECURSOR_M/Z 918.472
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0076-0900000000-43de59b3ebc7713aa097
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  98.0601 C5H8NO+ 1 98.06 0.74
+  99.0552 C4H7N2O+ 1 99.0553 -1.38
+  101.0708 C4H9N2O+ 1 101.0709 -1.33
+  103.0541 C8H7+ 1 103.0542 -1.66
+  107.049 C7H7O+ 1 107.0491 -1.42
+  119.0489 C8H7O+ 1 119.0491 -2.08
+  120.0806 C8H10N+ 1 120.0808 -1.7
+  123.0919 C7H11N2+ 1 123.0917 1.45
+  124.1117 C8H14N+ 1 124.1121 -2.73
+  127.0863 C6H11N2O+ 1 127.0866 -2.09
+  129.0657 C5H9N2O2+ 1 129.0659 -0.83
+  129.1021 C6H13N2O+ 1 129.1022 -1.25
+  135.0677 C8H9NO+ 1 135.0679 -1.31
+  136.0755 C8H10NO+ 1 136.0757 -1.51
+  139.0866 C7H11N2O+ 1 139.0866 0.2
+  140.0816 C6H10N3O+ 1 140.0818 -1.75
+  141.0655 C6H9N2O2+ 1 141.0659 -2.34
+  141.102 C7H13N2O+ 1 141.1022 -1.43
+  146.0964 C10H12N+ 1 146.0964 -0.37
+  148.0755 C9H10NO+ 1 148.0757 -1.21
+  155.0814 C7H11N2O2+ 1 155.0815 -0.56
+  155.1178 C8H15N2O+ 1 155.1179 -0.52
+  157.0971 C7H13N2O2+ 1 157.0972 -0.61
+  158.0923 C6H12N3O2+ 1 158.0924 -0.37
+  160.0754 C10H10NO+ 1 160.0757 -2.05
+  162.0906 C10H12NO+ 2 162.0913 -4.36
+  165.1022 C9H13N2O+ 1 165.1022 -0.46
+  167.082 C8H11N2O2+ 1 167.0815 3.15
+  168.0763 C7H10N3O2+ 1 168.0768 -2.66
+  169.0605 C7H9N2O3+ 1 169.0608 -1.63
+  169.0969 C8H13N2O2+ 1 169.0972 -1.77
+  172.1117 C12H14N+ 1 172.1121 -2.26
+  174.1275 C12H16N+ 1 174.1277 -1.31
+  178.0861 C10H12NO2+ 1 178.0863 -1.08
+  183.0759 C8H11N2O3+ 2 183.0764 -2.94
+  186.0882 C7H12N3O3+ 2 186.0873 4.9
+  186.1225 C6H14N6O+ 1 186.1224 0.92
+  187.1076 C8H15N2O3+ 1 187.1077 -0.55
+  188.1064 C12H14NO+ 2 188.107 -3.21
+  200.1027 C8H14N3O3+ 1 200.103 -1.28
+  204.1379 C13H18NO+ 2 204.1383 -2.14
+  217.133 C13H17N2O+ 2 217.1335 -2.61
+  226.1175 C8H14N6O2+ 1 226.1173 0.93
+  240.0972 C10H14N3O4+ 2 240.0979 -2.69
+  240.1339 C9H16N6O2+ 2 240.1329 4.08
+  291.1698 C16H23N2O3+ 3 291.1703 -1.82
+PK$NUM_PEAK: 46
+PK$PEAK: m/z int. rel.int.
+  98.0601 173018.9 29
+  99.0552 120624 20
+  101.0708 3195088.5 547
+  103.0541 302766.6 51
+  107.049 775946 132
+  119.0489 659745.8 113
+  120.0806 4016971.8 688
+  123.0919 199339.8 34
+  124.1117 523927 89
+  127.0863 358341.5 61
+  129.0657 406509.1 69
+  129.1021 1809031.8 310
+  135.0677 304432.7 52
+  136.0755 5829727 999
+  139.0866 179662.1 30
+  140.0816 896911.4 153
+  141.0655 984225.8 168
+  141.102 5053913 866
+  146.0964 225551.6 38
+  148.0755 307851.1 52
+  155.0814 455849.1 78
+  155.1178 138432 23
+  157.0971 464503.4 79
+  158.0923 655941.4 112
+  160.0754 803623.6 137
+  162.0906 411091.4 70
+  165.1022 215087 36
+  167.082 118286.2 20
+  168.0763 1341391.2 229
+  169.0605 867226.2 148
+  169.0969 2094579.5 358
+  172.1117 769906 131
+  174.1275 492598.8 84
+  178.0861 685070.8 117
+  183.0759 744391 127
+  186.0882 970667.8 166
+  186.1225 500240.4 85
+  187.1076 194767.3 33
+  188.1064 812128.4 139
+  200.1027 872741.8 149
+  204.1379 564669.2 96
+  217.133 303763.6 52
+  226.1175 373665.6 64
+  240.0972 431079.8 73
+  240.1339 308733.3 52
+  291.1698 439528.5 75
+//
diff --git a/Eawag/MSBNK-EAWAG-ED014908.txt b/Eawag/MSBNK-EAWAG-ED014908.txt
new file mode 100644
index 0000000000..9d70d56d0b
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED014908.txt
@@ -0,0 +1,126 @@
+ACCESSION: MSBNK-EAWAG-ED014908
+RECORD_TITLE: Sphaerocyclamide; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1038/s41598-018-32618-5
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 149
+CH$NAME: Sphaerocyclamide
+CH$NAME: 3-((3S,6S,12S,15S,18S,21S,26aS)-21-benzyl-15-(hydroxymethyl)-12-isopropyl-3-methyl-18-(4-((3-methylbut-2-en-1-yl)oxy)benzyl)-1,4,7,10,13,16,19,22-octaoxohexacosahydropyrrolo[1,2-a][1,4,7,10,13,16,19,22]octaazacyclotetracosin-6-yl)propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C46H63N9O11
+CH$EXACT_MASS: 917.4647038
+CH$SMILES: C[C@@H](C(N[C@@H](CCC(N)=O)C(NCC(N[C@@H](C(C)C)C(N[C@@H](CO)C(N[C@@H](CC(C=C1)=CC=C1OC/C=C(C)/C)C(N[C@H](C(N2CCC[C@H]2C3=O)=O)CC4=CC=CC=C4)=O)=O)=O)=O)=O)=O)N3[H]
+CH$IUPAC: InChI=1S/C46H63N9O11/c1-26(2)19-21-66-31-15-13-30(14-16-31)22-33-42(61)52-34(23-29-10-7-6-8-11-29)46(65)55-20-9-12-36(55)44(63)49-28(5)40(59)50-32(17-18-37(47)57)41(60)48-24-38(58)54-39(27(3)4)45(64)53-35(25-56)43(62)51-33/h6-8,10-11,13-16,19,27-28,32-36,39,56H,9,12,17-18,20-25H2,1-5H3,(H2,47,57)(H,48,60)(H,49,63)(H,50,59)(H,51,62)(H,52,61)(H,53,64)(H,54,58)/t28-,32-,33-,34-,35-,36-,39-/m0/s1
+CH$LINK: PUBCHEM CID:146683708
+CH$LINK: INCHIKEY JKBXTXMXBDJJQA-SJHSMXDOSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 95-958
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.222 min
+MS$FOCUSED_ION: BASE_PEAK 291.1944
+MS$FOCUSED_ION: PRECURSOR_M/Z 918.472
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0076-0900000000-1049b979e28bcee036a2
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  98.06 C5H8NO+ 1 98.06 -0.43
+  99.0552 C4H7N2O+ 1 99.0553 -0.54
+  101.0709 C4H9N2O+ 1 101.0709 -0.8
+  103.054 C8H7+ 1 103.0542 -1.81
+  107.0491 C7H7O+ 1 107.0491 -0.28
+  110.06 C6H8NO+ 1 110.06 -0.26
+  112.0754 C6H10NO+ 1 112.0757 -2.3
+  113.0708 C5H9N2O+ 1 113.0709 -0.89
+  119.049 C8H7O+ 1 119.0491 -1.05
+  120.0806 C8H10N+ 1 120.0808 -1.19
+  121.0648 C8H9O+ 1 121.0648 0.14
+  124.1117 C8H14N+ 1 124.1121 -2.92
+  125.1072 C7H13N2+ 1 125.1073 -0.75
+  127.0863 C6H11N2O+ 1 127.0866 -1.97
+  129.0656 C5H9N2O2+ 1 129.0659 -2.13
+  129.1021 C6H13N2O+ 1 129.1022 -1.37
+  132.0806 C9H10N+ 1 132.0808 -1.19
+  135.0674 C8H9NO+ 1 135.0679 -3.79
+  136.0755 C8H10NO+ 1 136.0757 -1.06
+  137.0711 C7H9N2O+ 1 137.0709 1.19
+  138.0546 C7H8NO2+ 1 138.055 -2.64
+  140.0817 C6H10N3O+ 1 140.0818 -0.88
+  141.0655 C6H9N2O2+ 1 141.0659 -2.23
+  141.1021 C7H13N2O+ 1 141.1022 -1.21
+  146.0598 C9H8NO+ 1 146.06 -1.56
+  148.0755 C9H10NO+ 1 148.0757 -1.62
+  158.0925 C6H12N3O2+ 1 158.0924 0.89
+  160.0755 C10H10NO+ 1 160.0757 -1
+  162.0913 C10H12NO+ 1 162.0913 -0.22
+  165.1024 C9H13N2O+ 1 165.1022 1.02
+  166.0499 C8H8NO3+ 1 166.0499 0.09
+  168.0765 C7H10N3O2+ 1 168.0768 -1.3
+  169.0602 C7H9N2O3+ 2 169.0608 -3.26
+  169.0969 C8H13N2O2+ 1 169.0972 -1.23
+  172.1115 C12H14N+ 1 172.1121 -3.06
+  174.1269 C12H16N+ 1 174.1277 -4.73
+  178.0859 C10H12NO2+ 1 178.0863 -2.11
+  183.0761 C8H11N2O3+ 1 183.0764 -1.94
+  186.0899 C10H10N4+ 1 186.09 -0.64
+  188.0712 C11H10NO2+ 1 188.0706 2.92
+  188.1068 C12H14NO+ 1 188.107 -1.27
+  200.1026 C8H14N3O3+ 2 200.103 -1.74
+PK$NUM_PEAK: 42
+PK$PEAK: m/z int. rel.int.
+  98.06 266782.2 53
+  99.0552 173035.6 34
+  101.0709 2138743.8 426
+  103.054 521260.1 103
+  107.0491 859808.6 171
+  110.06 117110 23
+  112.0754 332448.8 66
+  113.0708 367948.8 73
+  119.049 1273591.4 253
+  120.0806 4086417 814
+  121.0648 282075 56
+  124.1117 471496.1 93
+  125.1072 283133.5 56
+  127.0863 341796.3 68
+  129.0656 436744.8 87
+  129.1021 1746817.6 348
+  132.0806 369252.9 73
+  135.0674 382540.1 76
+  136.0755 5011475 999
+  137.0711 215581.4 42
+  138.0546 225430.6 44
+  140.0817 1062229 211
+  141.0655 1102634.6 219
+  141.1021 3620671.5 721
+  146.0598 393321.4 78
+  148.0755 375716.6 74
+  158.0925 434654.7 86
+  160.0755 1187796.5 236
+  162.0913 318289.4 63
+  165.1024 163387.9 32
+  166.0499 692850.8 138
+  168.0765 1018324.4 202
+  169.0602 619455.3 123
+  169.0969 893184.4 178
+  172.1115 619840.2 123
+  174.1269 262499 52
+  178.0859 552148.8 110
+  183.0761 544332.8 108
+  186.0899 783908.4 156
+  188.0712 213994.3 42
+  188.1068 580023.8 115
+  200.1026 373901.5 74
+//
diff --git a/Eawag/MSBNK-EAWAG-ED014909.txt b/Eawag/MSBNK-EAWAG-ED014909.txt
new file mode 100644
index 0000000000..78601e7a12
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED014909.txt
@@ -0,0 +1,108 @@
+ACCESSION: MSBNK-EAWAG-ED014909
+RECORD_TITLE: Sphaerocyclamide; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1038/s41598-018-32618-5
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 149
+CH$NAME: Sphaerocyclamide
+CH$NAME: 3-((3S,6S,12S,15S,18S,21S,26aS)-21-benzyl-15-(hydroxymethyl)-12-isopropyl-3-methyl-18-(4-((3-methylbut-2-en-1-yl)oxy)benzyl)-1,4,7,10,13,16,19,22-octaoxohexacosahydropyrrolo[1,2-a][1,4,7,10,13,16,19,22]octaazacyclotetracosin-6-yl)propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C46H63N9O11
+CH$EXACT_MASS: 917.4647038
+CH$SMILES: C[C@@H](C(N[C@@H](CCC(N)=O)C(NCC(N[C@@H](C(C)C)C(N[C@@H](CO)C(N[C@@H](CC(C=C1)=CC=C1OC/C=C(C)/C)C(N[C@H](C(N2CCC[C@H]2C3=O)=O)CC4=CC=CC=C4)=O)=O)=O)=O)=O)=O)N3[H]
+CH$IUPAC: InChI=1S/C46H63N9O11/c1-26(2)19-21-66-31-15-13-30(14-16-31)22-33-42(61)52-34(23-29-10-7-6-8-11-29)46(65)55-20-9-12-36(55)44(63)49-28(5)40(59)50-32(17-18-37(47)57)41(60)48-24-38(58)54-39(27(3)4)45(64)53-35(25-56)43(62)51-33/h6-8,10-11,13-16,19,27-28,32-36,39,56H,9,12,17-18,20-25H2,1-5H3,(H2,47,57)(H,48,60)(H,49,63)(H,50,59)(H,51,62)(H,52,61)(H,53,64)(H,54,58)/t28-,32-,33-,34-,35-,36-,39-/m0/s1
+CH$LINK: PUBCHEM CID:146683708
+CH$LINK: INCHIKEY JKBXTXMXBDJJQA-SJHSMXDOSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 95-958
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.222 min
+MS$FOCUSED_ION: BASE_PEAK 291.1944
+MS$FOCUSED_ION: PRECURSOR_M/Z 918.472
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0fkl-0900000000-6435c45dd77dc6257e88
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  96.0444 C5H6NO+ 1 96.0444 0.08
+  101.0708 C4H9N2O+ 1 101.0709 -1.56
+  103.0541 C8H7+ 1 103.0542 -1.59
+  107.0489 C7H7O+ 1 107.0491 -2.2
+  110.06 C6H8NO+ 1 110.06 -0.54
+  112.0757 C6H10NO+ 1 112.0757 0.43
+  113.0707 C5H9N2O+ 1 113.0709 -2.04
+  118.0651 C8H8N+ 1 118.0651 -0.56
+  119.0489 C8H7O+ 1 119.0491 -1.76
+  120.0806 C8H10N+ 1 120.0808 -1.63
+  123.0916 C7H11N2+ 1 123.0917 -0.28
+  124.1117 C8H14N+ 1 124.1121 -3.1
+  127.0862 C6H11N2O+ 1 127.0866 -2.81
+  129.102 C6H13N2O+ 1 129.1022 -1.84
+  130.0649 C9H8N+ 1 130.0651 -1.45
+  132.0807 C9H10N+ 1 132.0808 -0.38
+  135.0676 C8H9NO+ 1 135.0679 -1.99
+  136.0755 C8H10NO+ 1 136.0757 -1.51
+  137.0709 C7H9N2O+ 1 137.0709 -0.15
+  140.0817 C6H10N3O+ 1 140.0818 -1.31
+  141.0656 C6H9N2O2+ 1 141.0659 -2.02
+  141.102 C7H13N2O+ 1 141.1022 -1.54
+  146.0598 C9H8NO+ 1 146.06 -1.46
+  148.0752 C9H10NO+ 1 148.0757 -3.27
+  149.0708 C8H9N2O+ 1 149.0709 -0.87
+  160.0753 C10H10NO+ 1 160.0757 -2.14
+  166.0495 C8H8NO3+ 1 166.0499 -2.49
+  168.0766 C7H10N3O2+ 1 168.0768 -1.03
+  169.0607 C7H9N2O3+ 1 169.0608 -0.19
+  172.1119 C12H14N+ 1 172.1121 -1.02
+  174.1277 C12H16N+ 1 174.1277 -0.08
+  178.0864 C10H12NO2+ 1 178.0863 0.63
+  186.0906 C10H10N4+ 2 186.09 3.29
+PK$NUM_PEAK: 33
+PK$PEAK: m/z int. rel.int.
+  96.0444 459478.7 113
+  101.0708 1236339.4 305
+  103.0541 880410 217
+  107.0489 819711.1 202
+  110.06 193384.3 47
+  112.0757 315434.6 78
+  113.0707 392140.1 97
+  118.0651 231149.4 57
+  119.0489 1611197.1 398
+  120.0806 4037712.5 999
+  123.0916 205700.8 50
+  124.1117 409687.8 101
+  127.0862 304264.7 75
+  129.102 984198.5 243
+  130.0649 235494.7 58
+  132.0807 424715.4 105
+  135.0676 339959.2 84
+  136.0755 3529570.5 873
+  137.0709 245691.7 60
+  140.0817 1000424.4 247
+  141.0656 798621.3 197
+  141.102 1912720.9 473
+  146.0598 398771.9 98
+  148.0752 238576.9 59
+  149.0708 213925.3 52
+  160.0753 1079322 267
+  166.0495 571541.8 141
+  168.0766 475512.2 117
+  169.0607 293956.4 72
+  172.1119 381879 94
+  174.1277 170845.6 42
+  178.0864 186145.1 46
+  186.0906 637174.9 157
+//
diff --git a/Eawag/MSBNK-EAWAG-ED014951.txt b/Eawag/MSBNK-EAWAG-ED014951.txt
new file mode 100644
index 0000000000..ee35a99a35
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED014951.txt
@@ -0,0 +1,48 @@
+ACCESSION: MSBNK-EAWAG-ED014951
+RECORD_TITLE: Sphaerocyclamide; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1038/s41598-018-32618-5
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 149
+CH$NAME: Sphaerocyclamide
+CH$NAME: 3-((3S,6S,12S,15S,18S,21S,26aS)-21-benzyl-15-(hydroxymethyl)-12-isopropyl-3-methyl-18-(4-((3-methylbut-2-en-1-yl)oxy)benzyl)-1,4,7,10,13,16,19,22-octaoxohexacosahydropyrrolo[1,2-a][1,4,7,10,13,16,19,22]octaazacyclotetracosin-6-yl)propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C46H63N9O11
+CH$EXACT_MASS: 917.4647038
+CH$SMILES: C[C@@H](C(N[C@@H](CCC(N)=O)C(NCC(N[C@@H](C(C)C)C(N[C@@H](CO)C(N[C@@H](CC(C=C1)=CC=C1OC/C=C(C)/C)C(N[C@H](C(N2CCC[C@H]2C3=O)=O)CC4=CC=CC=C4)=O)=O)=O)=O)=O)=O)N3[H]
+CH$IUPAC: InChI=1S/C46H63N9O11/c1-26(2)19-21-66-31-15-13-30(14-16-31)22-33-42(61)52-34(23-29-10-7-6-8-11-29)46(65)55-20-9-12-36(55)44(63)49-28(5)40(59)50-32(17-18-37(47)57)41(60)48-24-38(58)54-39(27(3)4)45(64)53-35(25-56)43(62)51-33/h6-8,10-11,13-16,19,27-28,32-36,39,56H,9,12,17-18,20-25H2,1-5H3,(H2,47,57)(H,48,60)(H,49,63)(H,50,59)(H,51,62)(H,52,61)(H,53,64)(H,54,58)/t28-,32-,33-,34-,35-,36-,39-/m0/s1
+CH$LINK: PUBCHEM CID:146683708
+CH$LINK: INCHIKEY JKBXTXMXBDJJQA-SJHSMXDOSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 95-956
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.261 min
+MS$FOCUSED_ION: BASE_PEAK 307.1913
+MS$FOCUSED_ION: PRECURSOR_M/Z 916.4574
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-014i-0000000049-18fc611c21ba1c882cef
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  886.4476 C45H60N9O10- 1 886.4469 0.79
+  898.4478 C46H60N9O10- 1 898.4469 1
+  916.4593 C46H62N9O11- 1 916.4574 1.99
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  886.4476 16530533 467
+  898.4478 1845171 52
+  916.4593 35297940 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED014952.txt b/Eawag/MSBNK-EAWAG-ED014952.txt
new file mode 100644
index 0000000000..e3c1a5188f
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED014952.txt
@@ -0,0 +1,52 @@
+ACCESSION: MSBNK-EAWAG-ED014952
+RECORD_TITLE: Sphaerocyclamide; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1038/s41598-018-32618-5
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 149
+CH$NAME: Sphaerocyclamide
+CH$NAME: 3-((3S,6S,12S,15S,18S,21S,26aS)-21-benzyl-15-(hydroxymethyl)-12-isopropyl-3-methyl-18-(4-((3-methylbut-2-en-1-yl)oxy)benzyl)-1,4,7,10,13,16,19,22-octaoxohexacosahydropyrrolo[1,2-a][1,4,7,10,13,16,19,22]octaazacyclotetracosin-6-yl)propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C46H63N9O11
+CH$EXACT_MASS: 917.4647038
+CH$SMILES: C[C@@H](C(N[C@@H](CCC(N)=O)C(NCC(N[C@@H](C(C)C)C(N[C@@H](CO)C(N[C@@H](CC(C=C1)=CC=C1OC/C=C(C)/C)C(N[C@H](C(N2CCC[C@H]2C3=O)=O)CC4=CC=CC=C4)=O)=O)=O)=O)=O)=O)N3[H]
+CH$IUPAC: InChI=1S/C46H63N9O11/c1-26(2)19-21-66-31-15-13-30(14-16-31)22-33-42(61)52-34(23-29-10-7-6-8-11-29)46(65)55-20-9-12-36(55)44(63)49-28(5)40(59)50-32(17-18-37(47)57)41(60)48-24-38(58)54-39(27(3)4)45(64)53-35(25-56)43(62)51-33/h6-8,10-11,13-16,19,27-28,32-36,39,56H,9,12,17-18,20-25H2,1-5H3,(H2,47,57)(H,48,60)(H,49,63)(H,50,59)(H,51,62)(H,52,61)(H,53,64)(H,54,58)/t28-,32-,33-,34-,35-,36-,39-/m0/s1
+CH$LINK: PUBCHEM CID:146683708
+CH$LINK: INCHIKEY JKBXTXMXBDJJQA-SJHSMXDOSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 95-956
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.261 min
+MS$FOCUSED_ION: BASE_PEAK 307.1913
+MS$FOCUSED_ION: PRECURSOR_M/Z 916.4574
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-000i-0000000091-5e9a9931e35490443d7d
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  525.2795 C38H37O2- 8 525.2799 -0.73
+  868.4402 C45H58N9O9- 1 868.4363 4.51
+  886.4479 C45H60N9O10- 1 886.4469 1.13
+  898.4478 C46H60N9O10- 1 898.4469 1.07
+  916.4583 C46H62N9O11- 1 916.4574 0.93
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  525.2795 648156.2 18
+  868.4402 557146.9 15
+  886.4479 35142348 999
+  898.4478 3123308.5 88
+  916.4583 6754008.5 191
+//
diff --git a/Eawag/MSBNK-EAWAG-ED014953.txt b/Eawag/MSBNK-EAWAG-ED014953.txt
new file mode 100644
index 0000000000..473dd9b4d4
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED014953.txt
@@ -0,0 +1,64 @@
+ACCESSION: MSBNK-EAWAG-ED014953
+RECORD_TITLE: Sphaerocyclamide; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1038/s41598-018-32618-5
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 149
+CH$NAME: Sphaerocyclamide
+CH$NAME: 3-((3S,6S,12S,15S,18S,21S,26aS)-21-benzyl-15-(hydroxymethyl)-12-isopropyl-3-methyl-18-(4-((3-methylbut-2-en-1-yl)oxy)benzyl)-1,4,7,10,13,16,19,22-octaoxohexacosahydropyrrolo[1,2-a][1,4,7,10,13,16,19,22]octaazacyclotetracosin-6-yl)propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C46H63N9O11
+CH$EXACT_MASS: 917.4647038
+CH$SMILES: C[C@@H](C(N[C@@H](CCC(N)=O)C(NCC(N[C@@H](C(C)C)C(N[C@@H](CO)C(N[C@@H](CC(C=C1)=CC=C1OC/C=C(C)/C)C(N[C@H](C(N2CCC[C@H]2C3=O)=O)CC4=CC=CC=C4)=O)=O)=O)=O)=O)=O)N3[H]
+CH$IUPAC: InChI=1S/C46H63N9O11/c1-26(2)19-21-66-31-15-13-30(14-16-31)22-33-42(61)52-34(23-29-10-7-6-8-11-29)46(65)55-20-9-12-36(55)44(63)49-28(5)40(59)50-32(17-18-37(47)57)41(60)48-24-38(58)54-39(27(3)4)45(64)53-35(25-56)43(62)51-33/h6-8,10-11,13-16,19,27-28,32-36,39,56H,9,12,17-18,20-25H2,1-5H3,(H2,47,57)(H,48,60)(H,49,63)(H,50,59)(H,51,62)(H,52,61)(H,53,64)(H,54,58)/t28-,32-,33-,34-,35-,36-,39-/m0/s1
+CH$LINK: PUBCHEM CID:146683708
+CH$LINK: INCHIKEY JKBXTXMXBDJJQA-SJHSMXDOSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 95-956
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.261 min
+MS$FOCUSED_ION: BASE_PEAK 307.1913
+MS$FOCUSED_ION: PRECURSOR_M/Z 916.4574
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-000i-0000000090-1284c37199224bded3ec
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  525.2791 C22H37N8O7- 6 525.2791 0.04
+  693.3239 C33H43N9O8- 7 693.324 -0.2
+  704.3783 C37H50N7O7- 7 704.3777 0.86
+  711.3347 C33H45N9O9- 6 711.3346 0.17
+  747.3831 C38H51N8O8- 5 747.3835 -0.52
+  759.3839 C36H53N7O11- 6 759.3809 4.01
+  825.4306 C44H57N8O8- 3 825.4305 0.18
+  868.4378 C45H58N9O9- 1 868.4363 1.77
+  886.4481 C45H60N9O10- 1 886.4469 1.41
+  898.4486 C46H60N9O10- 1 898.4469 1.88
+  916.4587 C46H62N9O11- 1 916.4574 1.39
+PK$NUM_PEAK: 11
+PK$PEAK: m/z int. rel.int.
+  525.2791 3228046.8 122
+  693.3239 319597 12
+  704.3783 297411.1 11
+  711.3347 1202776.2 45
+  747.3831 323119 12
+  759.3839 415194.3 15
+  825.4306 578562.8 21
+  868.4378 1289031.6 48
+  886.4481 26426294 999
+  898.4486 1647900 62
+  916.4587 506839.6 19
+//
diff --git a/Eawag/MSBNK-EAWAG-ED014954.txt b/Eawag/MSBNK-EAWAG-ED014954.txt
new file mode 100644
index 0000000000..56e7aaaf1a
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED014954.txt
@@ -0,0 +1,92 @@
+ACCESSION: MSBNK-EAWAG-ED014954
+RECORD_TITLE: Sphaerocyclamide; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1038/s41598-018-32618-5
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 149
+CH$NAME: Sphaerocyclamide
+CH$NAME: 3-((3S,6S,12S,15S,18S,21S,26aS)-21-benzyl-15-(hydroxymethyl)-12-isopropyl-3-methyl-18-(4-((3-methylbut-2-en-1-yl)oxy)benzyl)-1,4,7,10,13,16,19,22-octaoxohexacosahydropyrrolo[1,2-a][1,4,7,10,13,16,19,22]octaazacyclotetracosin-6-yl)propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C46H63N9O11
+CH$EXACT_MASS: 917.4647038
+CH$SMILES: C[C@@H](C(N[C@@H](CCC(N)=O)C(NCC(N[C@@H](C(C)C)C(N[C@@H](CO)C(N[C@@H](CC(C=C1)=CC=C1OC/C=C(C)/C)C(N[C@H](C(N2CCC[C@H]2C3=O)=O)CC4=CC=CC=C4)=O)=O)=O)=O)=O)=O)N3[H]
+CH$IUPAC: InChI=1S/C46H63N9O11/c1-26(2)19-21-66-31-15-13-30(14-16-31)22-33-42(61)52-34(23-29-10-7-6-8-11-29)46(65)55-20-9-12-36(55)44(63)49-28(5)40(59)50-32(17-18-37(47)57)41(60)48-24-38(58)54-39(27(3)4)45(64)53-35(25-56)43(62)51-33/h6-8,10-11,13-16,19,27-28,32-36,39,56H,9,12,17-18,20-25H2,1-5H3,(H2,47,57)(H,48,60)(H,49,63)(H,50,59)(H,51,62)(H,52,61)(H,53,64)(H,54,58)/t28-,32-,33-,34-,35-,36-,39-/m0/s1
+CH$LINK: PUBCHEM CID:146683708
+CH$LINK: INCHIKEY JKBXTXMXBDJJQA-SJHSMXDOSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 95-956
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.261 min
+MS$FOCUSED_ION: BASE_PEAK 307.1913
+MS$FOCUSED_ION: PRECURSOR_M/Z 916.4574
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-002r-0001041390-a72d345bc4f094a59212
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  127.0514 C5H7N2O2- 1 127.0513 0.74
+  172.1087 C7H14N3O2- 1 172.1092 -2.58
+  174.0555 C8H6N4O- 2 174.0547 4.26
+  180.0774 C8H10N3O2- 1 180.0779 -2.38
+  229.1301 C9H17N4O3- 3 229.1306 -2.43
+  295.1411 C13H19N4O4- 5 295.1412 -0.39
+  300.1674 C12H22N5O4- 3 300.1677 -1
+  312.1675 C13H22N5O4- 3 312.1677 -0.84
+  340.1599 C12H20N8O4- 4 340.1613 -4.22
+  350.1832 C17H20N9- 5 350.1847 -4.33
+  357.1896 C16H27N3O6- 4 357.1905 -2.69
+  369.1895 C15H25N6O5- 4 369.1892 0.76
+  393.1881 C16H29N2O9- 4 393.1879 0.58
+  442.206 C17H28N7O7- 4 442.2056 0.89
+  525.279 C22H37N8O7- 7 525.2791 -0.19
+  653.3049 C33H43N5O9- 9 653.3066 -2.65
+  693.3245 C33H43N9O8- 6 693.324 0.68
+  704.3778 C37H50N7O7- 6 704.3777 0.08
+  710.3282 C38H44N7O7- 6 710.3308 -3.67
+  711.3345 C33H45N9O9- 6 711.3346 -0.17
+  730.3601 C42H52NO10- 8 730.3597 0.52
+  747.3833 C38H51N8O8- 5 747.3835 -0.27
+  825.4309 C44H57N8O8- 3 825.4305 0.55
+  868.4378 C45H58N9O9- 1 868.4363 1.7
+  886.4476 C45H60N9O10- 1 886.4469 0.86
+PK$NUM_PEAK: 25
+PK$PEAK: m/z int. rel.int.
+  127.0514 178714.5 25
+  172.1087 94263.2 13
+  174.0555 87349.5 12
+  180.0774 98483.8 14
+  229.1301 487179.6 70
+  295.1411 160699.9 23
+  300.1674 73605.9 10
+  312.1675 407889.2 58
+  340.1599 203112.7 29
+  350.1832 189066.6 27
+  357.1896 279680.6 40
+  369.1895 235059.1 33
+  393.1881 162027.7 23
+  442.206 220732.9 31
+  525.279 4381418 630
+  653.3049 500556.7 71
+  693.3245 705093.6 101
+  704.3778 406899.3 58
+  710.3282 180296 25
+  711.3345 1586367.6 228
+  730.3601 296708.1 42
+  747.3833 376740.3 54
+  825.4309 627347.1 90
+  868.4378 692117.1 99
+  886.4476 6946076.5 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED014955.txt b/Eawag/MSBNK-EAWAG-ED014955.txt
new file mode 100644
index 0000000000..4da1dc95a7
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED014955.txt
@@ -0,0 +1,150 @@
+ACCESSION: MSBNK-EAWAG-ED014955
+RECORD_TITLE: Sphaerocyclamide; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1038/s41598-018-32618-5
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 149
+CH$NAME: Sphaerocyclamide
+CH$NAME: 3-((3S,6S,12S,15S,18S,21S,26aS)-21-benzyl-15-(hydroxymethyl)-12-isopropyl-3-methyl-18-(4-((3-methylbut-2-en-1-yl)oxy)benzyl)-1,4,7,10,13,16,19,22-octaoxohexacosahydropyrrolo[1,2-a][1,4,7,10,13,16,19,22]octaazacyclotetracosin-6-yl)propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C46H63N9O11
+CH$EXACT_MASS: 917.4647038
+CH$SMILES: C[C@@H](C(N[C@@H](CCC(N)=O)C(NCC(N[C@@H](C(C)C)C(N[C@@H](CO)C(N[C@@H](CC(C=C1)=CC=C1OC/C=C(C)/C)C(N[C@H](C(N2CCC[C@H]2C3=O)=O)CC4=CC=CC=C4)=O)=O)=O)=O)=O)=O)N3[H]
+CH$IUPAC: InChI=1S/C46H63N9O11/c1-26(2)19-21-66-31-15-13-30(14-16-31)22-33-42(61)52-34(23-29-10-7-6-8-11-29)46(65)55-20-9-12-36(55)44(63)49-28(5)40(59)50-32(17-18-37(47)57)41(60)48-24-38(58)54-39(27(3)4)45(64)53-35(25-56)43(62)51-33/h6-8,10-11,13-16,19,27-28,32-36,39,56H,9,12,17-18,20-25H2,1-5H3,(H2,47,57)(H,48,60)(H,49,63)(H,50,59)(H,51,62)(H,52,61)(H,53,64)(H,54,58)/t28-,32-,33-,34-,35-,36-,39-/m0/s1
+CH$LINK: PUBCHEM CID:146683708
+CH$LINK: INCHIKEY JKBXTXMXBDJJQA-SJHSMXDOSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 95-956
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.261 min
+MS$FOCUSED_ION: BASE_PEAK 307.1913
+MS$FOCUSED_ION: PRECURSOR_M/Z 916.4574
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-004i-0964011000-e3b8b1a42705d1552f90
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  99.0202 C3H3N2O2- 1 99.02 1.76
+  109.0409 C5H5N2O- 1 109.0407 1.06
+  113.0358 C4H5N2O2- 1 113.0357 1.43
+  113.0721 C5H9N2O- 1 113.072 0.81
+  119.0503 C8H7O- 1 119.0502 0.45
+  123.0565 C6H7N2O- 1 123.0564 0.82
+  125.0355 C5H5N2O2- 1 125.0357 -1.54
+  126.0199 C5H4NO3- 1 126.0197 1.57
+  127.0514 C5H7N2O2- 1 127.0513 0.5
+  130.0623 C4H8N3O2- 1 130.0622 0.66
+  137.072 C7H9N2O- 1 137.072 -0.13
+  139.0511 C6H7N2O2- 1 139.0513 -1.23
+  141.0669 C6H9N2O2- 1 141.067 -0.57
+  144.0777 C5H10N3O2- 1 144.0779 -0.79
+  155.0825 C7H11N2O2- 1 155.0826 -0.47
+  166.0619 C7H8N3O2- 1 166.0622 -1.95
+  167.0457 C7H7N2O3- 2 167.0462 -3.33
+  167.0823 C8H11N2O2- 1 167.0826 -1.55
+  172.1087 C7H14N3O2- 1 172.1092 -2.4
+  180.0775 C8H10N3O2- 1 180.0779 -2.21
+  181.0618 C8H9N2O3- 1 181.0619 -0.58
+  182.0927 C8H12N3O2- 2 182.0935 -4.48
+  184.0738 C9H12O4- 1 184.0741 -1.68
+  184.1086 C8H14N3O2- 2 184.1092 -3.14
+  194.0939 C9H12N3O2- 2 194.0935 2.18
+  198.0882 C8H12N3O3- 1 198.0884 -1.32
+  201.0988 C7H13N4O3- 3 201.0993 -2.4
+  210.0888 C9H12N3O3- 2 210.0884 1.83
+  211.1197 C9H15N4O2- 3 211.12 -1.81
+  212.1036 C9H14N3O3- 2 212.1041 -2.05
+  229.1303 C9H17N4O3- 3 229.1306 -1.56
+  241.1309 C10H17N4O3- 2 241.1306 1.24
+  243.1142 H17N7O8- 2 243.1144 -0.78
+  248.1081 C17H14NO- 4 248.1081 -0.12
+  253.1329 C13H19NO4- 3 253.132 3.67
+  255.1099 C10H15N4O4- 1 255.1099 0.24
+  255.1461 C11H19N4O3- 3 255.1463 -0.69
+  277.1305 C13H17N4O3- 3 277.1306 -0.4
+  283.1414 C12H19N4O4- 3 283.1412 0.67
+  286.152 C11H20N5O4- 3 286.1521 -0.42
+  291.0892 C16H11N4O2- 4 291.0887 1.6
+  292.098 C4H16N6O9- 4 292.0984 -1.55
+  294.1571 C13H20N5O3- 4 294.1572 -0.16
+  300.1688 C12H22N5O4- 4 300.1677 3.47
+  308.1733 C14H22N5O3- 3 308.1728 1.49
+  312.1681 C13H22N5O4- 4 312.1677 1.21
+  314.1493 C15H18N6O2- 3 314.1497 -1.18
+  340.1606 C12H20N8O4- 3 340.1613 -2.16
+  350.1832 C17H20N9- 5 350.1847 -4.41
+  357.1903 C16H27N3O6- 4 357.1905 -0.55
+  369.1896 C15H25N6O5- 4 369.1892 1.01
+  525.2795 C38H37O2- 8 525.2799 -0.73
+  635.2956 C33H41N5O8- 8 635.2961 -0.72
+  653.3056 C33H43N5O9- 7 653.3066 -1.52
+PK$NUM_PEAK: 54
+PK$PEAK: m/z int. rel.int.
+  99.0202 115715.9 109
+  109.0409 49189.2 46
+  113.0358 159915.3 151
+  113.0721 77799.6 73
+  119.0503 74902.5 70
+  123.0565 35662.8 33
+  125.0355 73618.2 69
+  126.0199 108916.1 103
+  127.0514 645880.7 611
+  130.0623 58647.1 55
+  137.072 228833.4 216
+  139.0511 61476.5 58
+  141.0669 53189.4 50
+  144.0777 126649.4 119
+  155.0825 164352.3 155
+  166.0619 94726 89
+  167.0457 127386 120
+  167.0823 176507.6 167
+  172.1087 387200.1 366
+  180.0775 531134.6 502
+  181.0618 83213.4 78
+  182.0927 61464.5 58
+  184.0738 166088.4 157
+  184.1086 424667.7 401
+  194.0939 173276.3 163
+  198.0882 348465.2 329
+  201.0988 125920.5 119
+  210.0888 53811.3 50
+  211.1197 259404.6 245
+  212.1036 79351.2 75
+  229.1303 1055849.6 999
+  241.1309 212510.1 201
+  243.1142 146894.4 138
+  248.1081 66385.8 62
+  253.1329 93022.8 88
+  255.1099 271699.6 257
+  255.1461 70026.1 66
+  277.1305 25520.9 24
+  283.1414 135752.1 128
+  286.152 163126.1 154
+  291.0892 93816.9 88
+  292.098 122955.8 116
+  294.1571 156606.1 148
+  300.1688 101460.8 95
+  308.1733 51670.5 48
+  312.1681 530152.9 501
+  314.1493 205868.2 194
+  340.1606 285227.8 269
+  350.1832 328875.4 311
+  357.1903 374285.4 354
+  369.1896 395946.3 374
+  525.2795 715430.6 676
+  635.2956 287922.6 272
+  653.3056 401229 379
+//
diff --git a/Eawag/MSBNK-EAWAG-ED014956.txt b/Eawag/MSBNK-EAWAG-ED014956.txt
new file mode 100644
index 0000000000..baaa45be2a
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED014956.txt
@@ -0,0 +1,166 @@
+ACCESSION: MSBNK-EAWAG-ED014956
+RECORD_TITLE: Sphaerocyclamide; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1038/s41598-018-32618-5
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 149
+CH$NAME: Sphaerocyclamide
+CH$NAME: 3-((3S,6S,12S,15S,18S,21S,26aS)-21-benzyl-15-(hydroxymethyl)-12-isopropyl-3-methyl-18-(4-((3-methylbut-2-en-1-yl)oxy)benzyl)-1,4,7,10,13,16,19,22-octaoxohexacosahydropyrrolo[1,2-a][1,4,7,10,13,16,19,22]octaazacyclotetracosin-6-yl)propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C46H63N9O11
+CH$EXACT_MASS: 917.4647038
+CH$SMILES: C[C@@H](C(N[C@@H](CCC(N)=O)C(NCC(N[C@@H](C(C)C)C(N[C@@H](CO)C(N[C@@H](CC(C=C1)=CC=C1OC/C=C(C)/C)C(N[C@H](C(N2CCC[C@H]2C3=O)=O)CC4=CC=CC=C4)=O)=O)=O)=O)=O)=O)N3[H]
+CH$IUPAC: InChI=1S/C46H63N9O11/c1-26(2)19-21-66-31-15-13-30(14-16-31)22-33-42(61)52-34(23-29-10-7-6-8-11-29)46(65)55-20-9-12-36(55)44(63)49-28(5)40(59)50-32(17-18-37(47)57)41(60)48-24-38(58)54-39(27(3)4)45(64)53-35(25-56)43(62)51-33/h6-8,10-11,13-16,19,27-28,32-36,39,56H,9,12,17-18,20-25H2,1-5H3,(H2,47,57)(H,48,60)(H,49,63)(H,50,59)(H,51,62)(H,52,61)(H,53,64)(H,54,58)/t28-,32-,33-,34-,35-,36-,39-/m0/s1
+CH$LINK: PUBCHEM CID:146683708
+CH$LINK: INCHIKEY JKBXTXMXBDJJQA-SJHSMXDOSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 95-956
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.261 min
+MS$FOCUSED_ION: BASE_PEAK 307.1913
+MS$FOCUSED_ION: PRECURSOR_M/Z 916.4574
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0059-0930000000-7e812d1b15f76e87e7c2
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  99.0201 C3H3N2O2- 1 99.02 1.07
+  109.0409 C5H5N2O- 1 109.0407 1.69
+  110.025 C5H4NO2- 1 110.0248 2.07
+  111.0201 C4H3N2O2- 1 111.02 0.95
+  111.0566 C5H7N2O- 1 111.0564 2.18
+  113.0358 C4H5N2O2- 1 113.0357 0.89
+  113.0722 C5H9N2O- 1 113.072 1.15
+  119.0503 C8H7O- 1 119.0502 0.19
+  123.0564 C6H7N2O- 1 123.0564 -0.23
+  125.0357 C5H5N2O2- 1 125.0357 0.54
+  125.0723 C6H9N2O- 1 125.072 2
+  126.02 C5H4NO3- 1 126.0197 2.54
+  127.0514 C5H7N2O2- 1 127.0513 0.44
+  130.0621 C4H8N3O2- 1 130.0622 -0.75
+  133.0535 C8H7NO- 1 133.0533 1.45
+  137.072 C7H9N2O- 1 137.072 -0.02
+  139.0511 C6H7N2O2- 1 139.0513 -1.78
+  139.0881 C7H11N2O- 1 139.0877 2.65
+  141.067 C6H9N2O2- 1 141.067 0.62
+  144.0779 C5H10N3O2- 1 144.0779 0.17
+  153.0666 C7H9N2O2- 1 153.067 -2.14
+  154.062 C6H8N3O2- 1 154.0622 -1.58
+  154.0983 C7H12N3O- 1 154.0986 -1.84
+  155.0825 C7H11N2O2- 1 155.0826 -0.57
+  160.0402 C9H6NO2- 1 160.0404 -0.98
+  166.0622 C7H8N3O2- 1 166.0622 0.07
+  167.0457 C7H7N2O3- 2 167.0462 -3.33
+  167.0823 C8H11N2O2- 1 167.0826 -1.83
+  168.0775 C7H10N3O2- 1 168.0779 -2.21
+  168.1144 C8H14N3O- 1 168.1142 0.82
+  169.0978 C8H13N2O2- 1 169.0983 -2.62
+  172.1088 C7H14N3O2- 1 172.1092 -1.78
+  178.0621 C8H8N3O2- 1 178.0622 -0.31
+  180.0775 C8H10N3O2- 1 180.0779 -2.04
+  182.0931 C8H12N3O2- 1 182.0935 -2.3
+  184.0742 C9H12O4- 1 184.0741 0.47
+  184.1087 C8H14N3O2- 1 184.1092 -2.23
+  194.0931 C9H12N3O2- 2 194.0935 -1.99
+  198.0882 C8H12N3O3- 1 198.0884 -1.32
+  200.1051 C10H16O4- 1 200.1054 -1.59
+  201.0991 C7H13N4O3- 1 201.0993 -1.03
+  208.109 C10H14N3O2- 1 208.1092 -0.56
+  211.1199 C9H15N4O2- 1 211.12 -0.72
+  212.1032 C9H14N3O3- 2 212.1041 -4.21
+  223.1198 C9H19O6- 3 223.1187 4.7
+  224.1039 C10H14N3O3- 1 224.1041 -0.84
+  229.1302 C9H17N4O3- 3 229.1306 -1.69
+  241.0959 C11H15NO5- 3 241.0956 1.34
+  241.1309 C10H17N4O3- 2 241.1306 1.05
+  248.1085 C17H14NO- 2 248.1081 1.66
+  251.1154 C11H15N4O3- 2 251.115 1.55
+  253.1314 C13H19NO4- 2 253.132 -2.35
+  255.1099 C10H15N4O4- 1 255.1099 0.06
+  255.1461 C11H19N4O3- 3 255.1463 -0.69
+  277.1305 C13H17N4O3- 3 277.1306 -0.29
+  283.1406 C12H19N4O4- 3 283.1412 -1.92
+  286.152 C11H20N5O4- 4 286.1521 -0.31
+  292.0983 C4H16N6O9- 4 292.0984 -0.29
+  312.1307 C12H18N5O5- 3 312.1313 -1.99
+  314.1497 C15H18N6O2- 4 314.1497 -0.02
+  340.1614 C13H26NO9- 4 340.1613 0.34
+  350.1839 C17H20N9- 4 350.1847 -2.24
+PK$NUM_PEAK: 62
+PK$PEAK: m/z int. rel.int.
+  99.0201 318068.2 364
+  109.0409 131685.3 150
+  110.025 43199.4 49
+  111.0201 221832.4 253
+  111.0566 64422.6 73
+  113.0358 320450.6 366
+  113.0722 208246 238
+  119.0503 161219.6 184
+  123.0564 84236.9 96
+  125.0357 166846.5 190
+  125.0723 58517 66
+  126.02 147199.7 168
+  127.0514 818724.2 937
+  130.0621 169276.6 193
+  133.0535 38784.4 44
+  137.072 476285.2 545
+  139.0511 111497.6 127
+  139.0881 45032.2 51
+  141.067 150523.2 172
+  144.0779 205019.9 234
+  153.0666 115328.1 131
+  154.062 66014.3 75
+  154.0983 135748.6 155
+  155.0825 354418.1 405
+  160.0402 75362.2 86
+  166.0622 197319 225
+  167.0457 116102.9 132
+  167.0823 194299.9 222
+  168.0775 55635.4 63
+  168.1144 45851 52
+  169.0978 22808.7 26
+  172.1088 836395.5 957
+  178.0621 36161.1 41
+  180.0775 689969.9 789
+  182.0931 155023 177
+  184.0742 178731.3 204
+  184.1087 686891.3 786
+  194.0931 223303.1 255
+  198.0882 553709.3 633
+  200.1051 79000.6 90
+  201.0991 126485.1 144
+  208.109 58289.8 66
+  211.1199 490726.3 561
+  212.1032 79753.1 91
+  223.1198 146671.1 167
+  224.1039 52881.4 60
+  229.1302 872830.5 999
+  241.0959 99812.5 114
+  241.1309 197440.9 225
+  248.1085 94210.8 107
+  251.1154 97302.8 111
+  253.1314 128960.2 147
+  255.1099 264338.7 302
+  255.1461 109288.1 125
+  277.1305 35693.4 40
+  283.1406 106026.6 121
+  286.152 154918.7 177
+  292.0983 85051.2 97
+  312.1307 42239.8 48
+  314.1497 132125.1 151
+  340.1614 112826.2 129
+  350.1839 115129.1 131
+//
diff --git a/Eawag/MSBNK-EAWAG-ED014957.txt b/Eawag/MSBNK-EAWAG-ED014957.txt
new file mode 100644
index 0000000000..e7b6bb771d
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED014957.txt
@@ -0,0 +1,166 @@
+ACCESSION: MSBNK-EAWAG-ED014957
+RECORD_TITLE: Sphaerocyclamide; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1038/s41598-018-32618-5
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 149
+CH$NAME: Sphaerocyclamide
+CH$NAME: 3-((3S,6S,12S,15S,18S,21S,26aS)-21-benzyl-15-(hydroxymethyl)-12-isopropyl-3-methyl-18-(4-((3-methylbut-2-en-1-yl)oxy)benzyl)-1,4,7,10,13,16,19,22-octaoxohexacosahydropyrrolo[1,2-a][1,4,7,10,13,16,19,22]octaazacyclotetracosin-6-yl)propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C46H63N9O11
+CH$EXACT_MASS: 917.4647038
+CH$SMILES: C[C@@H](C(N[C@@H](CCC(N)=O)C(NCC(N[C@@H](C(C)C)C(N[C@@H](CO)C(N[C@@H](CC(C=C1)=CC=C1OC/C=C(C)/C)C(N[C@H](C(N2CCC[C@H]2C3=O)=O)CC4=CC=CC=C4)=O)=O)=O)=O)=O)=O)N3[H]
+CH$IUPAC: InChI=1S/C46H63N9O11/c1-26(2)19-21-66-31-15-13-30(14-16-31)22-33-42(61)52-34(23-29-10-7-6-8-11-29)46(65)55-20-9-12-36(55)44(63)49-28(5)40(59)50-32(17-18-37(47)57)41(60)48-24-38(58)54-39(27(3)4)45(64)53-35(25-56)43(62)51-33/h6-8,10-11,13-16,19,27-28,32-36,39,56H,9,12,17-18,20-25H2,1-5H3,(H2,47,57)(H,48,60)(H,49,63)(H,50,59)(H,51,62)(H,52,61)(H,53,64)(H,54,58)/t28-,32-,33-,34-,35-,36-,39-/m0/s1
+CH$LINK: PUBCHEM CID:146683708
+CH$LINK: INCHIKEY JKBXTXMXBDJJQA-SJHSMXDOSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 95-956
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.261 min
+MS$FOCUSED_ION: BASE_PEAK 307.1913
+MS$FOCUSED_ION: PRECURSOR_M/Z 916.4574
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-020r-0910000000-46fed65a837c185a4056
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  97.0046 C3HN2O2- 1 97.0044 3.02
+  97.0409 C4H5N2O- 1 97.0407 1.67
+  98.0124 C3H2N2O2- 1 98.0122 1.96
+  99.0201 C3H3N2O2- 1 99.02 0.84
+  109.0408 C5H5N2O- 1 109.0407 0.57
+  111.0201 C4H3N2O2- 1 111.02 1.02
+  111.0563 C5H7N2O- 1 111.0564 -0.91
+  112.0406 C5H6NO2- 1 112.0404 1.78
+  113.0358 C4H5N2O2- 1 113.0357 0.89
+  113.0721 C5H9N2O- 1 113.072 0.81
+  115.0879 C5H11N2O- 1 115.0877 1.68
+  116.0507 C8H6N- 1 116.0506 1.4
+  118.0665 C8H8N- 1 118.0662 2.24
+  119.0504 C8H7O- 1 119.0502 1.41
+  123.0562 C6H7N2O- 1 123.0564 -1.54
+  124.0405 C6H6NO2- 1 124.0404 0.57
+  125.0356 C5H5N2O2- 1 125.0357 -0.19
+  125.072 C6H9N2O- 1 125.072 -0.32
+  126.0199 C5H4NO3- 1 126.0197 1.93
+  126.0675 C5H8N3O- 1 126.0673 2.08
+  127.0513 C5H7N2O2- 1 127.0513 0.38
+  127.0878 C6H11N2O- 1 127.0877 0.61
+  129.1035 C6H13N2O- 1 129.1033 0.95
+  130.0622 C4H8N3O2- 1 130.0622 0.19
+  137.072 C7H9N2O- 1 137.072 -0.13
+  138.056 C7H8NO2- 1 138.0561 -0.12
+  139.0512 C6H7N2O2- 1 139.0513 -0.69
+  141.067 C6H9N2O2- 1 141.067 0.4
+  144.0777 C5H10N3O2- 1 144.0779 -0.89
+  146.0374 C9H6O2- 1 146.0373 0.22
+  151.0874 C8H11N2O- 1 151.0877 -1.89
+  153.067 C7H9N2O2- 1 153.067 0.35
+  154.0984 C7H12N3O- 1 154.0986 -0.94
+  155.0334 C5H5N3O3- 1 155.0336 -1.68
+  155.0825 C7H11N2O2- 1 155.0826 -0.77
+  156.0414 C5H6N3O3- 1 156.0415 -0.46
+  160.0402 C9H6NO2- 1 160.0404 -1.27
+  165.0665 C8H9N2O2- 1 165.067 -2.58
+  166.062 C7H8N3O2- 1 166.0622 -1.49
+  167.0821 C8H11N2O2- 1 167.0826 -3.01
+  168.078 C7H10N3O2- 1 168.0779 0.87
+  168.1141 C8H14N3O- 1 168.1142 -0.99
+  172.1088 C7H14N3O2- 1 172.1092 -1.96
+  177.0668 C9H9N2O2- 1 177.067 -0.99
+  179.0826 C9H11N2O2- 1 179.0826 0.25
+  180.0774 C8H10N3O2- 1 180.0779 -2.29
+  184.1087 C8H14N3O2- 2 184.1092 -2.48
+  186.1239 C6H14N6O- 1 186.1235 2.21
+  194.0931 C9H12N3O2- 2 194.0935 -2.14
+  196.1091 C9H14N3O2- 1 196.1092 -0.46
+  198.088 C8H12N3O3- 2 198.0884 -1.94
+  201.0989 C7H13N4O3- 3 201.0993 -1.87
+  208.1089 C10H14N3O2- 1 208.1092 -1.36
+  211.1197 C9H15N4O2- 3 211.12 -1.74
+  223.1197 C9H19O6- 3 223.1187 4.29
+  229.1301 C9H17N4O3- 3 229.1306 -2.43
+  239.1146 C10H15N4O3- 3 239.115 -1.52
+  241.1309 C10H17N4O3- 2 241.1306 0.99
+  243.1139 C14H15N2O2- 2 243.1139 0.05
+  255.11 C10H15N4O4- 3 255.1099 0.3
+  255.1463 C11H19N4O3- 1 255.1463 0.2
+  283.1416 C12H19N4O4- 3 283.1412 1.31
+PK$NUM_PEAK: 62
+PK$PEAK: m/z int. rel.int.
+  97.0046 67733.4 72
+  97.0409 93660.8 99
+  98.0124 32958.4 35
+  99.0201 421753.3 450
+  109.0408 191895.1 204
+  111.0201 309247.2 330
+  111.0563 86073 91
+  112.0406 32027.5 34
+  113.0358 406735.2 434
+  113.0721 321422.8 343
+  115.0879 99582.4 106
+  116.0507 79596.6 84
+  118.0665 41728.1 44
+  119.0504 235798.8 251
+  123.0562 86113.7 91
+  124.0405 85335.2 91
+  125.0356 191757.5 204
+  125.072 111657.9 119
+  126.0199 89699.3 95
+  126.0675 59631.9 63
+  127.0513 745657.9 795
+  127.0878 110200.2 117
+  129.1035 30008.8 32
+  130.0622 226142.3 241
+  137.072 537055.6 573
+  138.056 61403.6 65
+  139.0512 137822.6 147
+  141.067 182094.8 194
+  144.0777 159392.3 170
+  146.0374 49013.6 52
+  151.0874 65295.1 69
+  153.067 128708.5 137
+  154.0984 292823.4 312
+  155.0334 69168.4 73
+  155.0825 458911.8 489
+  156.0414 48322.5 51
+  160.0402 92425.7 98
+  165.0665 35615.1 38
+  166.062 150188.4 160
+  167.0821 198946.1 212
+  168.078 66922 71
+  168.1141 45811.5 48
+  172.1088 935957.1 999
+  177.0668 41322.6 44
+  179.0826 30894.4 32
+  180.0774 483250.9 515
+  184.1087 538028.8 574
+  186.1239 93182.5 99
+  194.0931 195233.8 208
+  196.1091 38194.6 40
+  198.088 374240.9 399
+  201.0989 87099.4 92
+  208.1089 76777.2 81
+  211.1197 486605.2 519
+  223.1197 155407.3 165
+  229.1301 448684.2 478
+  239.1146 52440.1 55
+  241.1309 96926.9 103
+  243.1139 98792.7 105
+  255.11 99821.6 106
+  255.1463 54418.5 58
+  283.1416 55525.6 59
+//
diff --git a/Eawag/MSBNK-EAWAG-ED014958.txt b/Eawag/MSBNK-EAWAG-ED014958.txt
new file mode 100644
index 0000000000..1c7639f292
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED014958.txt
@@ -0,0 +1,148 @@
+ACCESSION: MSBNK-EAWAG-ED014958
+RECORD_TITLE: Sphaerocyclamide; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1038/s41598-018-32618-5
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 149
+CH$NAME: Sphaerocyclamide
+CH$NAME: 3-((3S,6S,12S,15S,18S,21S,26aS)-21-benzyl-15-(hydroxymethyl)-12-isopropyl-3-methyl-18-(4-((3-methylbut-2-en-1-yl)oxy)benzyl)-1,4,7,10,13,16,19,22-octaoxohexacosahydropyrrolo[1,2-a][1,4,7,10,13,16,19,22]octaazacyclotetracosin-6-yl)propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C46H63N9O11
+CH$EXACT_MASS: 917.4647038
+CH$SMILES: C[C@@H](C(N[C@@H](CCC(N)=O)C(NCC(N[C@@H](C(C)C)C(N[C@@H](CO)C(N[C@@H](CC(C=C1)=CC=C1OC/C=C(C)/C)C(N[C@H](C(N2CCC[C@H]2C3=O)=O)CC4=CC=CC=C4)=O)=O)=O)=O)=O)=O)N3[H]
+CH$IUPAC: InChI=1S/C46H63N9O11/c1-26(2)19-21-66-31-15-13-30(14-16-31)22-33-42(61)52-34(23-29-10-7-6-8-11-29)46(65)55-20-9-12-36(55)44(63)49-28(5)40(59)50-32(17-18-37(47)57)41(60)48-24-38(58)54-39(27(3)4)45(64)53-35(25-56)43(62)51-33/h6-8,10-11,13-16,19,27-28,32-36,39,56H,9,12,17-18,20-25H2,1-5H3,(H2,47,57)(H,48,60)(H,49,63)(H,50,59)(H,51,62)(H,52,61)(H,53,64)(H,54,58)/t28-,32-,33-,34-,35-,36-,39-/m0/s1
+CH$LINK: PUBCHEM CID:146683708
+CH$LINK: INCHIKEY JKBXTXMXBDJJQA-SJHSMXDOSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 95-956
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.261 min
+MS$FOCUSED_ION: BASE_PEAK 307.1913
+MS$FOCUSED_ION: PRECURSOR_M/Z 916.4574
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03k9-0900000000-478dafd455f714cf1811
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  97.0043 C3HN2O2- 1 97.0044 -0.91
+  97.0409 C4H5N2O- 1 97.0407 1.67
+  99.0201 C3H3N2O2- 1 99.02 0.99
+  109.0408 C5H5N2O- 1 109.0407 0.99
+  111.0201 C4H3N2O2- 1 111.02 1.02
+  111.0563 C5H7N2O- 1 111.0564 -0.36
+  112.0519 C4H6N3O- 1 112.0516 1.96
+  113.0358 C4H5N2O2- 1 113.0357 0.89
+  113.0721 C5H9N2O- 1 113.072 0.81
+  115.0877 C5H11N2O- 1 115.0877 0.42
+  116.0507 C8H6N- 1 116.0506 1.07
+  118.0426 C8H6O- 1 118.0424 1.84
+  118.0663 C8H8N- 1 118.0662 0.43
+  119.0504 C8H7O- 1 119.0502 0.96
+  123.0563 C6H7N2O- 1 123.0564 -0.79
+  124.0405 C6H6NO2- 1 124.0404 0.94
+  125.0357 C5H5N2O2- 1 125.0357 0.23
+  125.072 C6H9N2O- 1 125.072 -0.02
+  127.0513 C5H7N2O2- 1 127.0513 0.2
+  127.0877 C6H11N2O- 1 127.0877 -0.29
+  128.0469 C4H6N3O2- 1 128.0466 2.74
+  129.067 C5H9N2O2- 1 129.067 0.19
+  129.1037 C6H13N2O- 1 129.1033 2.61
+  130.0622 C4H8N3O2- 1 130.0622 0.07
+  135.0566 C7H7N2O- 1 135.0564 1.85
+  137.072 C7H9N2O- 1 137.072 -0.46
+  138.056 C7H8NO2- 1 138.0561 -0.23
+  138.0677 C6H8N3O- 1 138.0673 2.95
+  139.0513 C6H7N2O2- 1 139.0513 0.08
+  139.0878 C7H11N2O- 1 139.0877 0.68
+  141.0669 C6H9N2O2- 1 141.067 -0.03
+  144.0778 C5H10N3O2- 1 144.0779 -0.36
+  145.0294 C9H5O2- 1 145.0295 -0.89
+  151.0874 C8H11N2O- 1 151.0877 -2.19
+  153.0668 C7H9N2O2- 1 153.067 -1.04
+  154.0984 C7H12N3O- 1 154.0986 -1.14
+  155.0335 C5H5N3O3- 1 155.0336 -1.08
+  155.0824 C7H11N2O2- 1 155.0826 -1.06
+  160.0399 C9H6NO2- 1 160.0404 -2.89
+  165.0671 C8H9N2O2- 1 165.067 0.75
+  166.0619 C7H8N3O2- 1 166.0622 -1.95
+  167.0822 C8H11N2O2- 1 167.0826 -2.19
+  172.1088 C7H14N3O2- 1 172.1092 -2.05
+  175.0873 C10H11N2O- 1 175.0877 -2.11
+  180.0773 C8H10N3O2- 2 180.0779 -2.8
+  182.0934 C8H12N3O2- 1 182.0935 -0.63
+  183.0889 C7H11N4O2- 1 183.0887 0.96
+  184.1087 C8H14N3O2- 2 184.1092 -2.31
+  194.093 C9H12N3O2- 2 194.0935 -2.77
+  198.0885 C8H12N3O3- 1 198.0884 0.3
+  211.1197 C9H15N4O2- 3 211.12 -1.59
+  223.1196 C9H19O6- 3 223.1187 4.09
+  229.1302 C9H17N4O3- 3 229.1306 -1.96
+PK$NUM_PEAK: 53
+PK$PEAK: m/z int. rel.int.
+  97.0043 73754.7 97
+  97.0409 110319.6 146
+  99.0201 441111.2 585
+  109.0408 198002.5 262
+  111.0201 368868.1 489
+  111.0563 113302.6 150
+  112.0519 163344.5 216
+  113.0358 345265.2 457
+  113.0721 359815.4 477
+  115.0877 128923 171
+  116.0507 111158.7 147
+  118.0426 63013.3 83
+  118.0663 76973.6 102
+  119.0504 286269.8 379
+  123.0563 101416.3 134
+  124.0405 83404.4 110
+  125.0357 160003.7 212
+  125.072 148932.1 197
+  127.0513 527416.2 699
+  127.0877 135238.5 179
+  128.0469 42057.2 55
+  129.067 32271.2 42
+  129.1037 55342.6 73
+  130.0622 227183.4 301
+  135.0566 30150 39
+  137.072 483309.3 641
+  138.056 31890 42
+  138.0677 37869.5 50
+  139.0513 152598.5 202
+  139.0878 95351.9 126
+  141.0669 196061.9 260
+  144.0778 119704 158
+  145.0294 90399.7 119
+  151.0874 54775.2 72
+  153.0668 109970.5 145
+  154.0984 350891.8 465
+  155.0335 93161.5 123
+  155.0824 355153.2 471
+  160.0399 92376.6 122
+  165.0671 45027 59
+  166.0619 142626.8 189
+  167.0822 129514.6 171
+  172.1088 753106.4 999
+  175.0873 116652.2 154
+  180.0773 225230.6 298
+  182.0934 100243.4 132
+  183.0889 91836.6 121
+  184.1087 386163.1 512
+  194.093 83339.7 110
+  198.0885 158544.5 210
+  211.1197 325127.7 431
+  223.1196 103196.3 136
+  229.1302 171930.5 228
+//
diff --git a/Eawag/MSBNK-EAWAG-ED014959.txt b/Eawag/MSBNK-EAWAG-ED014959.txt
new file mode 100644
index 0000000000..9e72159417
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED014959.txt
@@ -0,0 +1,132 @@
+ACCESSION: MSBNK-EAWAG-ED014959
+RECORD_TITLE: Sphaerocyclamide; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1038/s41598-018-32618-5
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 149
+CH$NAME: Sphaerocyclamide
+CH$NAME: 3-((3S,6S,12S,15S,18S,21S,26aS)-21-benzyl-15-(hydroxymethyl)-12-isopropyl-3-methyl-18-(4-((3-methylbut-2-en-1-yl)oxy)benzyl)-1,4,7,10,13,16,19,22-octaoxohexacosahydropyrrolo[1,2-a][1,4,7,10,13,16,19,22]octaazacyclotetracosin-6-yl)propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C46H63N9O11
+CH$EXACT_MASS: 917.4647038
+CH$SMILES: C[C@@H](C(N[C@@H](CCC(N)=O)C(NCC(N[C@@H](C(C)C)C(N[C@@H](CO)C(N[C@@H](CC(C=C1)=CC=C1OC/C=C(C)/C)C(N[C@H](C(N2CCC[C@H]2C3=O)=O)CC4=CC=CC=C4)=O)=O)=O)=O)=O)=O)N3[H]
+CH$IUPAC: InChI=1S/C46H63N9O11/c1-26(2)19-21-66-31-15-13-30(14-16-31)22-33-42(61)52-34(23-29-10-7-6-8-11-29)46(65)55-20-9-12-36(55)44(63)49-28(5)40(59)50-32(17-18-37(47)57)41(60)48-24-38(58)54-39(27(3)4)45(64)53-35(25-56)43(62)51-33/h6-8,10-11,13-16,19,27-28,32-36,39,56H,9,12,17-18,20-25H2,1-5H3,(H2,47,57)(H,48,60)(H,49,63)(H,50,59)(H,51,62)(H,52,61)(H,53,64)(H,54,58)/t28-,32-,33-,34-,35-,36-,39-/m0/s1
+CH$LINK: PUBCHEM CID:146683708
+CH$LINK: INCHIKEY JKBXTXMXBDJJQA-SJHSMXDOSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 95-956
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.261 min
+MS$FOCUSED_ION: BASE_PEAK 307.1913
+MS$FOCUSED_ION: PRECURSOR_M/Z 916.4574
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03k9-0900000000-2b7fdb8fa547069c4569
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  97.0044 C3HN2O2- 1 97.0044 0.27
+  97.0407 C4H5N2O- 1 97.0407 -0.53
+  99.02 C3H3N2O2- 1 99.02 0.38
+  109.0408 C5H5N2O- 1 109.0407 0.43
+  111.02 C4H3N2O2- 1 111.02 0.27
+  111.0566 C5H7N2O- 1 111.0564 1.63
+  112.0281 C4H4N2O2- 1 112.0278 2.69
+  112.0516 C4H6N3O- 1 112.0516 -0.63
+  113.0357 C4H5N2O2- 1 113.0357 0.82
+  113.0721 C5H9N2O- 1 113.072 0.27
+  115.0878 C5H11N2O- 1 115.0877 0.76
+  116.0507 C8H6N- 1 116.0506 0.87
+  117.0346 C8H5O- 1 117.0346 -0.09
+  118.0662 C8H8N- 1 118.0662 -0.41
+  119.0502 C8H7O- 1 119.0502 -0.13
+  123.0561 C6H7N2O- 1 123.0564 -2.47
+  124.0405 C6H6NO2- 1 124.0404 0.57
+  125.0355 C5H5N2O2- 1 125.0357 -0.99
+  125.072 C6H9N2O- 1 125.072 -0.2
+  127.0512 C5H7N2O2- 1 127.0513 -0.58
+  127.0875 C6H11N2O- 1 127.0877 -1.67
+  130.0622 C4H8N3O2- 1 130.0622 -0.28
+  135.0566 C7H7N2O- 1 135.0564 1.74
+  137.0359 C6H5N2O2- 1 137.0357 1.61
+  137.0719 C7H9N2O- 1 137.072 -0.68
+  139.0512 C6H7N2O2- 1 139.0513 -0.8
+  139.0874 C7H11N2O- 1 139.0877 -1.96
+  141.067 C6H9N2O2- 1 141.067 0.19
+  144.0454 C9H6NO- 1 144.0455 -0.58
+  144.0777 C5H10N3O2- 1 144.0779 -1.32
+  145.0292 C9H5O2- 1 145.0295 -1.84
+  146.0611 C9H8NO- 1 146.0611 0.08
+  151.0515 C7H7N2O2- 1 151.0513 1.5
+  154.0985 C7H12N3O- 1 154.0986 -0.85
+  155.0823 C7H11N2O2- 1 155.0826 -1.75
+  160.0399 C9H6NO2- 1 160.0404 -3.37
+  165.0671 C8H9N2O2- 1 165.067 0.75
+  167.0823 C8H11N2O2- 1 167.0826 -1.74
+  172.1087 C7H14N3O2- 1 172.1092 -2.4
+  173.0717 C10H9N2O- 1 173.072 -1.71
+  175.0873 C10H11N2O- 1 175.0877 -2.03
+  180.0776 C8H10N3O2- 1 180.0779 -1.53
+  183.0886 C7H11N4O2- 1 183.0887 -0.62
+  184.1089 C8H14N3O2- 1 184.1092 -1.31
+  211.1198 C9H15N4O2- 1 211.12 -1.01
+PK$NUM_PEAK: 45
+PK$PEAK: m/z int. rel.int.
+  97.0044 61070.1 137
+  97.0407 96701 218
+  99.02 307608.8 694
+  109.0408 175700.2 396
+  111.02 276316.7 624
+  111.0566 70283.2 158
+  112.0281 70816.9 159
+  112.0516 156730.5 354
+  113.0357 226463.4 511
+  113.0721 308998.4 697
+  115.0878 124235.7 280
+  116.0507 94102 212
+  117.0346 150885.5 340
+  118.0662 90964.1 205
+  119.0502 223414.8 504
+  123.0561 61039.1 137
+  124.0405 59454 134
+  125.0355 118943.5 268
+  125.072 163684.8 369
+  127.0512 306181.5 691
+  127.0875 140421.5 317
+  130.0622 157934.3 356
+  135.0566 23160.3 52
+  137.0359 28375.1 64
+  137.0719 329536.4 744
+  139.0512 88351.8 199
+  139.0874 82980.6 187
+  141.067 114420.3 258
+  144.0454 35404.5 79
+  144.0777 62493.5 141
+  145.0292 84567.6 191
+  146.0611 39786.2 89
+  151.0515 27442.5 61
+  154.0985 304151.5 687
+  155.0823 191180.1 431
+  160.0399 60343.7 136
+  165.0671 24873.4 56
+  167.0823 69031.4 155
+  172.1087 442260.8 999
+  173.0717 21872.5 49
+  175.0873 93014.7 210
+  180.0776 94493.6 213
+  183.0886 58840.4 132
+  184.1089 163060.6 368
+  211.1198 122245 276
+//
diff --git a/Eawag/MSBNK-EAWAG-ED017301.txt b/Eawag/MSBNK-EAWAG-ED017301.txt
new file mode 100644
index 0000000000..e9c7cae9a9
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED017301.txt
@@ -0,0 +1,54 @@
+ACCESSION: MSBNK-EAWAG-ED017301
+RECORD_TITLE: Portoamide C; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1073/pnas.0914343107
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 173
+CH$NAME: Portoamide C
+CH$NAME: 3-((6R,9S,15S,18R,20aS,25aS,34R,40aS,E)-18-((S)-sec-butyl)-12-ethylidene-37-hydroxy-9-((R)-1-hydroxyethyl)-15-(hydroxymethyl)-6-(4-methoxyphenethyl)-5,8,11,14,17,20,25,30,33,36,40-undecaoxo-38-(2,4,5-trihydroxy-7-methyloctyl)octatriacontahydro-1H,25H-tripyrrolo[1,2-b1:1`,2`-g:1``,2``-j][1,4,7,10,13,16,19,22,25,28,31]undecaazacyclotetratriacontin-34-yl)propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C62H96N12O19
+CH$EXACT_MASS: 1312.691469
+CH$SMILES: O=C([C@@H](CCC(N)=O)NC1=O)NCC(N2[C@@H](CCC2)C(N3[C@@H](CCC3)C(N[C@H]([C@@H](C)CC)C(N[C@@H](CO)C(N/C(C(N[C@@H]([C@@H](C)O)C(N[C@H](CCC4=CC=C(OC)C=C4)C(N5[C@@H](CCC5)C(NC(CC(O)CC(O)C(O)CC(C)C)C1O)=O)=O)=O)=O)=C/C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C62H96N12O19/c1-8-33(5)50-58(88)69-42(31-75)55(85)65-38(9-2)54(84)71-51(34(6)76)59(89)67-40(21-18-35-16-19-37(93-7)20-17-35)61(91)73-25-10-13-43(73)56(86)68-41(28-36(77)29-47(79)46(78)27-32(3)4)52(82)60(90)66-39(22-23-48(63)80)53(83)64-30-49(81)72-24-12-15-45(72)62(92)74-26-11-14-44(74)57(87)70-50/h9,16-17,19-20,32-34,36,39-47,50-52,75-79,82H,8,10-15,18,21-31H2,1-7H3,(H2,63,80)(H,64,83)(H,65,85)(H,66,90)(H,67,89)(H,68,86)(H,69,88)(H,70,87)(H,71,84)/b38-9+/t33-,34+,36?,39+,40+,41?,42-,43-,44-,45-,46?,47?,50+,51-,52?/m0/s1
+CH$LINK: PUBCHEM CID:146683715
+CH$LINK: INCHIKEY ACFCYNJDAMJVRV-SFBMPHMPSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 136-1361
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.099 min
+MS$FOCUSED_ION: BASE_PEAK 657.3516
+MS$FOCUSED_ION: PRECURSOR_M/Z 1313.6987
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03di-0029000000-2cde1bb8fc61ec852111
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  145.9689 H2O9+ 1 145.9693 -3.17
+  1277.6745 C62H93N12O17+ 1 1277.6776 -2.45
+  1278.6613 C62H92N11O18+ 1 1278.6616 -0.26
+  1295.6858 C62H95N12O18+ 1 1295.6882 -1.8
+  1296.6753 C62H94N11O19+ 1 1296.6722 2.43
+  1313.6946 C62H97N12O19+ 1 1313.6987 -3.12
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  145.9689 13072329 50
+  1277.6745 4323243.5 16
+  1278.6613 4445863.5 17
+  1295.6858 51634424 198
+  1296.6753 9579101 36
+  1313.6946 260196144 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED017302.txt b/Eawag/MSBNK-EAWAG-ED017302.txt
new file mode 100644
index 0000000000..944f4ec44b
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED017302.txt
@@ -0,0 +1,66 @@
+ACCESSION: MSBNK-EAWAG-ED017302
+RECORD_TITLE: Portoamide C; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1073/pnas.0914343107
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 173
+CH$NAME: Portoamide C
+CH$NAME: 3-((6R,9S,15S,18R,20aS,25aS,34R,40aS,E)-18-((S)-sec-butyl)-12-ethylidene-37-hydroxy-9-((R)-1-hydroxyethyl)-15-(hydroxymethyl)-6-(4-methoxyphenethyl)-5,8,11,14,17,20,25,30,33,36,40-undecaoxo-38-(2,4,5-trihydroxy-7-methyloctyl)octatriacontahydro-1H,25H-tripyrrolo[1,2-b1:1`,2`-g:1``,2``-j][1,4,7,10,13,16,19,22,25,28,31]undecaazacyclotetratriacontin-34-yl)propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C62H96N12O19
+CH$EXACT_MASS: 1312.691469
+CH$SMILES: O=C([C@@H](CCC(N)=O)NC1=O)NCC(N2[C@@H](CCC2)C(N3[C@@H](CCC3)C(N[C@H]([C@@H](C)CC)C(N[C@@H](CO)C(N/C(C(N[C@@H]([C@@H](C)O)C(N[C@H](CCC4=CC=C(OC)C=C4)C(N5[C@@H](CCC5)C(NC(CC(O)CC(O)C(O)CC(C)C)C1O)=O)=O)=O)=O)=C/C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C62H96N12O19/c1-8-33(5)50-58(88)69-42(31-75)55(85)65-38(9-2)54(84)71-51(34(6)76)59(89)67-40(21-18-35-16-19-37(93-7)20-17-35)61(91)73-25-10-13-43(73)56(86)68-41(28-36(77)29-47(79)46(78)27-32(3)4)52(82)60(90)66-39(22-23-48(63)80)53(83)64-30-49(81)72-24-12-15-45(72)62(92)74-26-11-14-44(74)57(87)70-50/h9,16-17,19-20,32-34,36,39-47,50-52,75-79,82H,8,10-15,18,21-31H2,1-7H3,(H2,63,80)(H,64,83)(H,65,85)(H,66,90)(H,67,89)(H,68,86)(H,69,88)(H,70,87)(H,71,84)/b38-9+/t33-,34+,36?,39+,40+,41?,42-,43-,44-,45-,46?,47?,50+,51-,52?/m0/s1
+CH$LINK: PUBCHEM CID:146683715
+CH$LINK: INCHIKEY ACFCYNJDAMJVRV-SFBMPHMPSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 136-1361
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.099 min
+MS$FOCUSED_ION: BASE_PEAK 657.3516
+MS$FOCUSED_ION: PRECURSOR_M/Z 1313.6987
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03di-0059000000-061b0dce7192440b7c32
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  145.969 H2O9+ 1 145.9693 -2.33
+  395.2281 C4H37N5O15+ 12 395.2281 0.02
+  487.2755 C7H45N5O18+ 14 487.2754 0.2
+  845.4263 C41H61N6O13+ 23 845.4291 -3.31
+  920.5059 C40H72N8O16+ 22 920.5061 -0.2
+  1259.6643 C59H93N11O19+ 2 1259.6644 -0.02
+  1277.6764 C62H93N12O17+ 1 1277.6776 -0.92
+  1278.6629 C62H92N11O18+ 1 1278.6616 0.98
+  1285.7032 C61H97N12O18+ 1 1285.7038 -0.51
+  1295.6862 C62H95N12O18+ 1 1295.6882 -1.52
+  1296.6767 C62H94N11O19+ 1 1296.6722 3.47
+  1313.6957 C62H97N12O19+ 1 1313.6987 -2.29
+PK$NUM_PEAK: 12
+PK$PEAK: m/z int. rel.int.
+  145.969 8033853.5 49
+  395.2281 4275784.5 26
+  487.2755 1772518.6 10
+  845.4263 1810908.6 11
+  920.5059 4602363 28
+  1259.6643 1931692 11
+  1277.6764 12459733 76
+  1278.6629 9244177 56
+  1285.7032 2626028 16
+  1295.6862 66109196 407
+  1296.6767 13173627 81
+  1313.6957 162018784 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED017303.txt b/Eawag/MSBNK-EAWAG-ED017303.txt
new file mode 100644
index 0000000000..58253a61ff
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED017303.txt
@@ -0,0 +1,68 @@
+ACCESSION: MSBNK-EAWAG-ED017303
+RECORD_TITLE: Portoamide C; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1073/pnas.0914343107
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 173
+CH$NAME: Portoamide C
+CH$NAME: 3-((6R,9S,15S,18R,20aS,25aS,34R,40aS,E)-18-((S)-sec-butyl)-12-ethylidene-37-hydroxy-9-((R)-1-hydroxyethyl)-15-(hydroxymethyl)-6-(4-methoxyphenethyl)-5,8,11,14,17,20,25,30,33,36,40-undecaoxo-38-(2,4,5-trihydroxy-7-methyloctyl)octatriacontahydro-1H,25H-tripyrrolo[1,2-b1:1`,2`-g:1``,2``-j][1,4,7,10,13,16,19,22,25,28,31]undecaazacyclotetratriacontin-34-yl)propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C62H96N12O19
+CH$EXACT_MASS: 1312.691469
+CH$SMILES: O=C([C@@H](CCC(N)=O)NC1=O)NCC(N2[C@@H](CCC2)C(N3[C@@H](CCC3)C(N[C@H]([C@@H](C)CC)C(N[C@@H](CO)C(N/C(C(N[C@@H]([C@@H](C)O)C(N[C@H](CCC4=CC=C(OC)C=C4)C(N5[C@@H](CCC5)C(NC(CC(O)CC(O)C(O)CC(C)C)C1O)=O)=O)=O)=O)=C/C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C62H96N12O19/c1-8-33(5)50-58(88)69-42(31-75)55(85)65-38(9-2)54(84)71-51(34(6)76)59(89)67-40(21-18-35-16-19-37(93-7)20-17-35)61(91)73-25-10-13-43(73)56(86)68-41(28-36(77)29-47(79)46(78)27-32(3)4)52(82)60(90)66-39(22-23-48(63)80)53(83)64-30-49(81)72-24-12-15-45(72)62(92)74-26-11-14-44(74)57(87)70-50/h9,16-17,19-20,32-34,36,39-47,50-52,75-79,82H,8,10-15,18,21-31H2,1-7H3,(H2,63,80)(H,64,83)(H,65,85)(H,66,90)(H,67,89)(H,68,86)(H,69,88)(H,70,87)(H,71,84)/b38-9+/t33-,34+,36?,39+,40+,41?,42-,43-,44-,45-,46?,47?,50+,51-,52?/m0/s1
+CH$LINK: PUBCHEM CID:146683715
+CH$LINK: INCHIKEY ACFCYNJDAMJVRV-SFBMPHMPSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 136-1361
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.099 min
+MS$FOCUSED_ION: BASE_PEAK 657.3516
+MS$FOCUSED_ION: PRECURSOR_M/Z 1313.6987
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03dj-1096100000-94126117c02e76400d9f
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  145.969 H2O9+ 1 145.9693 -2.12
+  367.2336 C18H31N4O4+ 11 367.234 -1.05
+  478.2651 C8H42N6O16+ 13 478.2652 -0.18
+  487.2755 C7H45N5O18+ 15 487.2754 0.14
+  920.5061 C40H72N8O16+ 22 920.5061 0
+  1003.5444 C46H79N6O18+ 19 1003.5445 -0.14
+  1260.6524 C62H90N11O17+ 1 1260.6511 1.04
+  1267.6894 C61H95N12O17+ 1 1267.6933 -3.07
+  1277.6759 C62H93N12O17+ 1 1277.6776 -1.31
+  1278.6633 C62H92N11O18+ 1 1278.6616 1.27
+  1285.7012 C61H97N12O18+ 1 1285.7038 -2.03
+  1295.6863 C62H95N12O18+ 1 1295.6882 -1.43
+  1313.6964 C62H97N12O19+ 1 1313.6987 -1.82
+PK$NUM_PEAK: 13
+PK$PEAK: m/z int. rel.int.
+  145.969 2152546.8 48
+  367.2336 1126429.6 25
+  478.2651 4007985.5 90
+  487.2755 7281484 164
+  920.5061 6586191.5 148
+  1003.5444 7504502.5 169
+  1260.6524 2099539.5 47
+  1267.6894 3878789.2 87
+  1277.6759 11093661 250
+  1278.6633 4786582 108
+  1285.7012 6216773 140
+  1295.6863 33080874 747
+  1313.6964 44234572 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED017304.txt b/Eawag/MSBNK-EAWAG-ED017304.txt
new file mode 100644
index 0000000000..439522e256
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED017304.txt
@@ -0,0 +1,98 @@
+ACCESSION: MSBNK-EAWAG-ED017304
+RECORD_TITLE: Portoamide C; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1073/pnas.0914343107
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 173
+CH$NAME: Portoamide C
+CH$NAME: 3-((6R,9S,15S,18R,20aS,25aS,34R,40aS,E)-18-((S)-sec-butyl)-12-ethylidene-37-hydroxy-9-((R)-1-hydroxyethyl)-15-(hydroxymethyl)-6-(4-methoxyphenethyl)-5,8,11,14,17,20,25,30,33,36,40-undecaoxo-38-(2,4,5-trihydroxy-7-methyloctyl)octatriacontahydro-1H,25H-tripyrrolo[1,2-b1:1`,2`-g:1``,2``-j][1,4,7,10,13,16,19,22,25,28,31]undecaazacyclotetratriacontin-34-yl)propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C62H96N12O19
+CH$EXACT_MASS: 1312.691469
+CH$SMILES: O=C([C@@H](CCC(N)=O)NC1=O)NCC(N2[C@@H](CCC2)C(N3[C@@H](CCC3)C(N[C@H]([C@@H](C)CC)C(N[C@@H](CO)C(N/C(C(N[C@@H]([C@@H](C)O)C(N[C@H](CCC4=CC=C(OC)C=C4)C(N5[C@@H](CCC5)C(NC(CC(O)CC(O)C(O)CC(C)C)C1O)=O)=O)=O)=O)=C/C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C62H96N12O19/c1-8-33(5)50-58(88)69-42(31-75)55(85)65-38(9-2)54(84)71-51(34(6)76)59(89)67-40(21-18-35-16-19-37(93-7)20-17-35)61(91)73-25-10-13-43(73)56(86)68-41(28-36(77)29-47(79)46(78)27-32(3)4)52(82)60(90)66-39(22-23-48(63)80)53(83)64-30-49(81)72-24-12-15-45(72)62(92)74-26-11-14-44(74)57(87)70-50/h9,16-17,19-20,32-34,36,39-47,50-52,75-79,82H,8,10-15,18,21-31H2,1-7H3,(H2,63,80)(H,64,83)(H,65,85)(H,66,90)(H,67,89)(H,68,86)(H,69,88)(H,70,87)(H,71,84)/b38-9+/t33-,34+,36?,39+,40+,41?,42-,43-,44-,45-,46?,47?,50+,51-,52?/m0/s1
+CH$LINK: PUBCHEM CID:146683715
+CH$LINK: INCHIKEY ACFCYNJDAMJVRV-SFBMPHMPSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 136-1361
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.099 min
+MS$FOCUSED_ION: BASE_PEAK 657.3516
+MS$FOCUSED_ION: PRECURSOR_M/Z 1313.6987
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03g1-2159700000-64032e1ec9fa88f7307b
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  155.0809 C7H11N2O2+ 1 155.0815 -3.61
+  164.1063 C10H14NO+ 2 164.107 -4.2
+  183.1489 C10H19N2O+ 1 183.1492 -1.45
+  195.1121 C10H15N2O2+ 2 195.1128 -3.52
+  212.1385 C8H16N6O+ 2 212.138 2.21
+  238.1175 C9H14N6O2+ 2 238.1173 0.99
+  252.1329 C10H16N6O2+ 1 252.1329 -0.24
+  254.1125 C9H14N6O3+ 2 254.1122 1.25
+  265.1548 C14H21N2O3+ 3 265.1547 0.34
+  280.2009 H32N4O12+ 3 280.2011 -0.89
+  298.1751 C12H22N6O3+ 2 298.1748 1.02
+  308.1957 C14H24N6O2+ 7 308.1955 0.46
+  313.211 C14H27N5O3+ 6 313.2108 0.53
+  337.2232 C17H29N4O3+ 8 337.2234 -0.57
+  365.2187 C3H35N5O14+ 10 365.2175 3.37
+  377.2185 C19H29N4O4+ 10 377.2183 0.55
+  395.2283 C4H37N5O15+ 10 395.2281 0.48
+  448.2547 C7H40N6O15+ 13 448.2546 0.29
+  451.2544 C7H41N5O16+ 13 451.2543 0.31
+  460.255 C22H28N12+ 15 460.2554 -0.88
+  478.2652 C8H42N6O16+ 13 478.2652 0.07
+  487.2757 C7H45N5O18+ 15 487.2754 0.58
+  823.487 C29H67N12O15+ 24 823.4843 3.19
+  1003.5446 C46H79N6O18+ 19 1003.5445 0.04
+  1277.6766 C62H93N12O17+ 1 1277.6776 -0.83
+  1285.7035 C61H97N12O18+ 1 1285.7038 -0.23
+  1295.6877 C62H95N12O18+ 1 1295.6882 -0.39
+  1313.6965 C62H97N12O19+ 1 1313.6987 -1.73
+PK$NUM_PEAK: 28
+PK$PEAK: m/z int. rel.int.
+  155.0809 1122390 132
+  164.1063 915230.2 108
+  183.1489 756232.1 89
+  195.1121 221651.6 26
+  212.1385 365502.4 43
+  238.1175 142733.7 16
+  252.1329 1075782.4 127
+  254.1125 298484.1 35
+  265.1548 583776.9 68
+  280.2009 1525828.2 180
+  298.1751 1300105.1 153
+  308.1957 2654588 313
+  313.211 5777788 682
+  337.2232 981234.6 115
+  365.2187 1746380.9 206
+  377.2185 2197544.8 259
+  395.2283 6589487 778
+  448.2547 1604029.2 189
+  451.2544 1280052.2 151
+  460.255 2674327.8 316
+  478.2652 7294267.5 861
+  487.2757 8454074 999
+  823.487 2071937.8 244
+  1003.5446 5987796 707
+  1277.6766 1971769.4 232
+  1285.7035 3616009.2 427
+  1295.6877 4709858 556
+  1313.6965 4298401 507
+//
diff --git a/Eawag/MSBNK-EAWAG-ED017305.txt b/Eawag/MSBNK-EAWAG-ED017305.txt
new file mode 100644
index 0000000000..26f415028f
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED017305.txt
@@ -0,0 +1,122 @@
+ACCESSION: MSBNK-EAWAG-ED017305
+RECORD_TITLE: Portoamide C; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1073/pnas.0914343107
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 173
+CH$NAME: Portoamide C
+CH$NAME: 3-((6R,9S,15S,18R,20aS,25aS,34R,40aS,E)-18-((S)-sec-butyl)-12-ethylidene-37-hydroxy-9-((R)-1-hydroxyethyl)-15-(hydroxymethyl)-6-(4-methoxyphenethyl)-5,8,11,14,17,20,25,30,33,36,40-undecaoxo-38-(2,4,5-trihydroxy-7-methyloctyl)octatriacontahydro-1H,25H-tripyrrolo[1,2-b1:1`,2`-g:1``,2``-j][1,4,7,10,13,16,19,22,25,28,31]undecaazacyclotetratriacontin-34-yl)propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C62H96N12O19
+CH$EXACT_MASS: 1312.691469
+CH$SMILES: O=C([C@@H](CCC(N)=O)NC1=O)NCC(N2[C@@H](CCC2)C(N3[C@@H](CCC3)C(N[C@H]([C@@H](C)CC)C(N[C@@H](CO)C(N/C(C(N[C@@H]([C@@H](C)O)C(N[C@H](CCC4=CC=C(OC)C=C4)C(N5[C@@H](CCC5)C(NC(CC(O)CC(O)C(O)CC(C)C)C1O)=O)=O)=O)=O)=C/C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C62H96N12O19/c1-8-33(5)50-58(88)69-42(31-75)55(85)65-38(9-2)54(84)71-51(34(6)76)59(89)67-40(21-18-35-16-19-37(93-7)20-17-35)61(91)73-25-10-13-43(73)56(86)68-41(28-36(77)29-47(79)46(78)27-32(3)4)52(82)60(90)66-39(22-23-48(63)80)53(83)64-30-49(81)72-24-12-15-45(72)62(92)74-26-11-14-44(74)57(87)70-50/h9,16-17,19-20,32-34,36,39-47,50-52,75-79,82H,8,10-15,18,21-31H2,1-7H3,(H2,63,80)(H,64,83)(H,65,85)(H,66,90)(H,67,89)(H,68,86)(H,69,88)(H,70,87)(H,71,84)/b38-9+/t33-,34+,36?,39+,40+,41?,42-,43-,44-,45-,46?,47?,50+,51-,52?/m0/s1
+CH$LINK: PUBCHEM CID:146683715
+CH$LINK: INCHIKEY ACFCYNJDAMJVRV-SFBMPHMPSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 136-1361
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.099 min
+MS$FOCUSED_ION: BASE_PEAK 657.3516
+MS$FOCUSED_ION: PRECURSOR_M/Z 1313.6987
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0ce9-0891100000-5eeee07dd5e62ed115b3
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  138.1277 C9H16N+ 1 138.1277 0
+  143.1061 C8H15O2+ 1 143.1067 -3.54
+  153.1019 C8H13N2O+ 1 153.1022 -2.16
+  155.0812 C7H11N2O2+ 1 155.0815 -1.65
+  157.0973 C7H13N2O2+ 1 157.0972 0.66
+  164.1066 C10H14NO+ 1 164.107 -2.24
+  167.0812 C8H11N2O2+ 1 167.0815 -1.78
+  167.1175 C9H15N2O+ 1 167.1179 -2.29
+  168.0769 C7H10N3O2+ 1 168.0768 0.88
+  168.1386 C10H18NO+ 1 168.1383 1.97
+  171.113 C8H15N2O2+ 1 171.1128 0.89
+  181.0973 C9H13N2O2+ 1 181.0972 1.08
+  183.1487 C10H19N2O+ 2 183.1492 -2.45
+  185.0921 C8H13N2O3+ 1 185.0921 0
+  186.1485 C10H20NO2+ 1 186.1489 -1.82
+  190.1224 C12H16NO+ 1 190.1226 -1.07
+  195.1125 C10H15N2O2+ 1 195.1128 -1.8
+  197.1285 C10H17N2O2+ 1 197.1285 0.18
+  198.1487 C11H20NO2+ 1 198.1489 -0.78
+  201.1232 C9H17N2O3+ 1 201.1234 -0.63
+  208.1327 C10H16N4O+ 2 208.1319 4.08
+  211.1432 C11H19N2O2+ 2 211.1441 -4.28
+  212.138 C8H16N6O+ 1 212.138 -0.02
+  216.1373 C12H16N4+ 2 216.1369 1.7
+  216.1596 C11H22NO3+ 1 216.1594 0.66
+  252.1332 C10H16N6O2+ 2 252.1329 1.27
+  262.1631 C10H22N4O4+ 3 262.1636 -1.58
+  265.1547 C14H21N2O3+ 3 265.1547 -0.01
+  266.1133 C10H14N6O3+ 2 266.1122 4.24
+  272.1229 C9H16N6O4+ 3 272.1228 0.41
+  280.1647 C12H20N6O2+ 4 280.1642 1.84
+  280.2015 H32N4O12+ 5 280.2011 1.29
+  295.2007 H27N10O8+ 6 295.2008 -0.33
+  298.1753 C12H22N6O3+ 4 298.1748 1.84
+  308.1961 CH32N4O13+ 7 308.196 0.28
+  341.2072 C2H35N3O15+ 8 341.2063 2.71
+  363.206 C6H31N6O11+ 7 363.2045 4.13
+  448.2556 C7H40N6O15+ 11 448.2546 2.19
+  478.265 C8H42N6O16+ 13 478.2652 -0.38
+  491.2493 C9H41N5O17+ 14 491.2492 0.23
+PK$NUM_PEAK: 40
+PK$PEAK: m/z int. rel.int.
+  138.1277 545795.6 95
+  143.1061 699612.3 121
+  153.1019 654762.2 114
+  155.0812 4291866.5 747
+  157.0973 332437.6 57
+  164.1066 2231808 388
+  167.0812 317101.1 55
+  167.1175 1493050.9 260
+  168.0769 313931.2 54
+  168.1386 443318.2 77
+  171.113 296573 51
+  181.0973 488598.4 85
+  183.1487 5734361 999
+  185.0921 447152.8 77
+  186.1485 1329618.5 231
+  190.1224 362493 63
+  195.1125 1592655.5 277
+  197.1285 270650.8 47
+  198.1487 525539.3 91
+  201.1232 511472.4 89
+  208.1327 707713.9 123
+  211.1432 3131634.2 545
+  212.138 749697.9 130
+  216.1373 1889923.9 329
+  216.1596 2295834.8 399
+  252.1332 2350393 409
+  262.1631 979361.1 170
+  265.1547 1795521.6 312
+  266.1133 2220204.5 386
+  272.1229 412353.2 71
+  280.1647 987403.6 172
+  280.2015 1904363.5 331
+  295.2007 1849112.4 322
+  298.1753 2657158.5 462
+  308.1961 2723786.2 474
+  341.2072 667071.4 116
+  363.206 1906308.5 332
+  448.2556 781144.9 136
+  478.265 2610588.5 454
+  491.2493 478970.7 83
+//
diff --git a/Eawag/MSBNK-EAWAG-ED017306.txt b/Eawag/MSBNK-EAWAG-ED017306.txt
new file mode 100644
index 0000000000..6a5827dfaf
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED017306.txt
@@ -0,0 +1,124 @@
+ACCESSION: MSBNK-EAWAG-ED017306
+RECORD_TITLE: Portoamide C; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1073/pnas.0914343107
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 173
+CH$NAME: Portoamide C
+CH$NAME: 3-((6R,9S,15S,18R,20aS,25aS,34R,40aS,E)-18-((S)-sec-butyl)-12-ethylidene-37-hydroxy-9-((R)-1-hydroxyethyl)-15-(hydroxymethyl)-6-(4-methoxyphenethyl)-5,8,11,14,17,20,25,30,33,36,40-undecaoxo-38-(2,4,5-trihydroxy-7-methyloctyl)octatriacontahydro-1H,25H-tripyrrolo[1,2-b1:1`,2`-g:1``,2``-j][1,4,7,10,13,16,19,22,25,28,31]undecaazacyclotetratriacontin-34-yl)propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C62H96N12O19
+CH$EXACT_MASS: 1312.691469
+CH$SMILES: O=C([C@@H](CCC(N)=O)NC1=O)NCC(N2[C@@H](CCC2)C(N3[C@@H](CCC3)C(N[C@H]([C@@H](C)CC)C(N[C@@H](CO)C(N/C(C(N[C@@H]([C@@H](C)O)C(N[C@H](CCC4=CC=C(OC)C=C4)C(N5[C@@H](CCC5)C(NC(CC(O)CC(O)C(O)CC(C)C)C1O)=O)=O)=O)=O)=C/C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C62H96N12O19/c1-8-33(5)50-58(88)69-42(31-75)55(85)65-38(9-2)54(84)71-51(34(6)76)59(89)67-40(21-18-35-16-19-37(93-7)20-17-35)61(91)73-25-10-13-43(73)56(86)68-41(28-36(77)29-47(79)46(78)27-32(3)4)52(82)60(90)66-39(22-23-48(63)80)53(83)64-30-49(81)72-24-12-15-45(72)62(92)74-26-11-14-44(74)57(87)70-50/h9,16-17,19-20,32-34,36,39-47,50-52,75-79,82H,8,10-15,18,21-31H2,1-7H3,(H2,63,80)(H,64,83)(H,65,85)(H,66,90)(H,67,89)(H,68,86)(H,69,88)(H,70,87)(H,71,84)/b38-9+/t33-,34+,36?,39+,40+,41?,42-,43-,44-,45-,46?,47?,50+,51-,52?/m0/s1
+CH$LINK: PUBCHEM CID:146683715
+CH$LINK: INCHIKEY ACFCYNJDAMJVRV-SFBMPHMPSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 136-1361
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.099 min
+MS$FOCUSED_ION: BASE_PEAK 657.3516
+MS$FOCUSED_ION: PRECURSOR_M/Z 1313.6987
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-05o0-0960000000-64051aa474914df568a8
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  137.0959 C9H13O+ 1 137.0961 -1.3
+  138.1276 C9H16N+ 1 138.1277 -0.88
+  139.0867 C7H11N2O+ 1 139.0866 0.75
+  141.0659 C6H9N2O2+ 1 141.0659 0.15
+  143.1063 C8H15O2+ 1 143.1067 -2.26
+  145.1005 C11H13+ 1 145.1012 -4.59
+  150.1272 C10H16N+ 1 150.1277 -3.55
+  151.1107 C8H13N3+ 1 151.1104 2.28
+  153.1018 C8H13N2O+ 1 153.1022 -2.66
+  155.0812 C7H11N2O2+ 1 155.0815 -1.94
+  164.1065 C10H14NO+ 1 164.107 -2.99
+  167.1177 C9H15N2O+ 1 167.1179 -1.28
+  168.0766 C7H10N3O2+ 1 168.0768 -1.03
+  168.1379 C10H18NO+ 1 168.1383 -2.29
+  171.0756 C5H9N5O2+ 2 171.0751 3.08
+  183.1487 C10H19N2O+ 2 183.1492 -2.54
+  186.0871 C7H12N3O3+ 1 186.0873 -1.41
+  186.1482 C10H20NO2+ 2 186.1489 -3.29
+  190.1226 C12H16NO+ 1 190.1226 -0.34
+  195.1121 C10H15N2O2+ 2 195.1128 -3.76
+  195.1488 C11H19N2O+ 2 195.1492 -2.24
+  197.1281 C10H17N2O2+ 2 197.1285 -1.99
+  201.1227 C9H17N2O3+ 2 201.1234 -3.44
+  208.1322 C10H16N4O+ 2 208.1319 1.59
+  211.1434 C11H19N2O2+ 2 211.1441 -3.34
+  216.1372 C12H16N4+ 2 216.1369 1.28
+  216.1594 C11H22NO3+ 1 216.1594 0.1
+  226.1432 C10H18N4O2+ 2 226.1424 3.53
+  238.1173 C9H14N6O2+ 1 238.1173 0.15
+  244.1539 C12H22NO4+ 2 244.1543 -1.69
+  252.1334 C10H16N6O2+ 2 252.1329 2.06
+  261.1807 C12H25N2O4+ 2 261.1809 -0.63
+  262.1636 C10H22N4O4+ 1 262.1636 0.05
+  265.1543 C14H21N2O3+ 4 265.1547 -1.28
+  266.113 C10H14N6O3+ 2 266.1122 3.21
+  266.1491 C11H18N6O2+ 3 266.1486 2.15
+  270.1806 C11H22N6O2+ 3 270.1799 2.67
+  280.2013 H32N4O12+ 5 280.2011 0.63
+  295.2007 H27N10O8+ 6 295.2008 -0.43
+  298.1752 C12H22N6O3+ 4 298.1748 1.43
+  363.2032 C6H31N6O11+ 8 363.2045 -3.6
+PK$NUM_PEAK: 41
+PK$PEAK: m/z int. rel.int.
+  137.0959 313686.8 35
+  138.1276 666418.3 75
+  139.0867 452450 51
+  141.0659 255848.9 29
+  143.1063 1854098.5 211
+  145.1005 360529 41
+  150.1272 675059.1 76
+  151.1107 600762.6 68
+  153.1018 783035.7 89
+  155.0812 4728519 538
+  164.1065 1229850.2 140
+  167.1177 1371640.2 156
+  168.0766 483840.2 55
+  168.1379 978061.7 111
+  171.0756 610979.2 69
+  183.1487 8771742 999
+  186.0871 216711.6 24
+  186.1482 1720170.5 195
+  190.1226 350448.7 39
+  195.1121 1563609.6 178
+  195.1488 283713.8 32
+  197.1281 316035 35
+  201.1227 841962.3 95
+  208.1322 828409.6 94
+  211.1434 2924543.8 333
+  216.1372 2175645.8 247
+  216.1594 3078445.5 350
+  226.1432 853154.1 97
+  238.1173 388392.9 44
+  244.1539 492895.9 56
+  252.1334 818470.2 93
+  261.1807 1202436.6 136
+  262.1636 849413.5 96
+  265.1543 1062312.1 120
+  266.113 1350886.9 153
+  266.1491 544674.7 62
+  270.1806 298896.3 34
+  280.2013 584945.8 66
+  295.2007 1055022.4 120
+  298.1752 1095200.6 124
+  363.2032 709401.9 80
+//
diff --git a/Eawag/MSBNK-EAWAG-ED017307.txt b/Eawag/MSBNK-EAWAG-ED017307.txt
new file mode 100644
index 0000000000..6fa880cb80
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED017307.txt
@@ -0,0 +1,114 @@
+ACCESSION: MSBNK-EAWAG-ED017307
+RECORD_TITLE: Portoamide C; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1073/pnas.0914343107
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 173
+CH$NAME: Portoamide C
+CH$NAME: 3-((6R,9S,15S,18R,20aS,25aS,34R,40aS,E)-18-((S)-sec-butyl)-12-ethylidene-37-hydroxy-9-((R)-1-hydroxyethyl)-15-(hydroxymethyl)-6-(4-methoxyphenethyl)-5,8,11,14,17,20,25,30,33,36,40-undecaoxo-38-(2,4,5-trihydroxy-7-methyloctyl)octatriacontahydro-1H,25H-tripyrrolo[1,2-b1:1`,2`-g:1``,2``-j][1,4,7,10,13,16,19,22,25,28,31]undecaazacyclotetratriacontin-34-yl)propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C62H96N12O19
+CH$EXACT_MASS: 1312.691469
+CH$SMILES: O=C([C@@H](CCC(N)=O)NC1=O)NCC(N2[C@@H](CCC2)C(N3[C@@H](CCC3)C(N[C@H]([C@@H](C)CC)C(N[C@@H](CO)C(N/C(C(N[C@@H]([C@@H](C)O)C(N[C@H](CCC4=CC=C(OC)C=C4)C(N5[C@@H](CCC5)C(NC(CC(O)CC(O)C(O)CC(C)C)C1O)=O)=O)=O)=O)=C/C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C62H96N12O19/c1-8-33(5)50-58(88)69-42(31-75)55(85)65-38(9-2)54(84)71-51(34(6)76)59(89)67-40(21-18-35-16-19-37(93-7)20-17-35)61(91)73-25-10-13-43(73)56(86)68-41(28-36(77)29-47(79)46(78)27-32(3)4)52(82)60(90)66-39(22-23-48(63)80)53(83)64-30-49(81)72-24-12-15-45(72)62(92)74-26-11-14-44(74)57(87)70-50/h9,16-17,19-20,32-34,36,39-47,50-52,75-79,82H,8,10-15,18,21-31H2,1-7H3,(H2,63,80)(H,64,83)(H,65,85)(H,66,90)(H,67,89)(H,68,86)(H,69,88)(H,70,87)(H,71,84)/b38-9+/t33-,34+,36?,39+,40+,41?,42-,43-,44-,45-,46?,47?,50+,51-,52?/m0/s1
+CH$LINK: PUBCHEM CID:146683715
+CH$LINK: INCHIKEY ACFCYNJDAMJVRV-SFBMPHMPSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 136-1361
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.099 min
+MS$FOCUSED_ION: BASE_PEAK 657.3516
+MS$FOCUSED_ION: PRECURSOR_M/Z 1313.6987
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00lr-0920000000-d65f9a5139b36709f929
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  137.0705 C7H9N2O+ 1 137.0709 -3.15
+  137.0958 C9H13O+ 1 137.0961 -2.08
+  138.1274 C9H16N+ 1 138.1277 -2.43
+  140.0819 C6H10N3O+ 1 140.0818 0.65
+  141.0655 C6H9N2O2+ 1 141.0659 -2.45
+  143.1062 C8H15O2+ 1 143.1067 -3
+  145.1006 C11H13+ 1 145.1012 -4.27
+  147.0801 C10H11O+ 1 147.0804 -2.28
+  150.1278 C10H16N+ 1 150.1277 0.31
+  153.1019 C8H13N2O+ 1 153.1022 -2.26
+  155.0452 C6H7N2O3+ 1 155.0451 0.77
+  155.0811 C7H11N2O2+ 1 155.0815 -2.53
+  163.1114 C11H15O+ 1 163.1117 -1.82
+  164.1066 C10H14NO+ 1 164.107 -2.24
+  165.0657 C8H9N2O2+ 1 165.0659 -1.06
+  167.081 C8H11N2O2+ 1 167.0815 -2.78
+  167.1178 C9H15N2O+ 1 167.1179 -0.37
+  168.0771 C7H10N3O2+ 1 168.0768 1.79
+  168.1375 C10H18NO+ 2 168.1383 -4.47
+  181.0605 C8H9N2O3+ 1 181.0608 -1.57
+  183.1487 C10H19N2O+ 2 183.1492 -2.54
+  185.0921 C8H13N2O3+ 1 185.0921 0.25
+  186.1484 C10H20NO2+ 2 186.1489 -2.31
+  187.0707 C5H9N5O3+ 2 187.07 3.57
+  195.1124 C10H15N2O2+ 2 195.1128 -2.19
+  198.1484 C11H20NO2+ 2 198.1489 -2.4
+  208.1314 C10H16N4O+ 3 208.1319 -2.22
+  211.1434 C11H19N2O2+ 2 211.1441 -3.19
+  216.1374 C12H16N4+ 2 216.1369 2.2
+  216.1595 C11H22NO3+ 1 216.1594 0.45
+  220.1077 C9H12N6O+ 2 220.1067 4.68
+  238.1178 C9H14N6O2+ 2 238.1173 2.14
+  261.181 C12H25N2O4+ 2 261.1809 0.3
+  265.1542 C14H21N2O3+ 4 265.1547 -1.85
+  266.1133 C10H14N6O3+ 2 266.1122 4.24
+  313.211 C14H27N5O3+ 6 313.2108 0.53
+PK$NUM_PEAK: 36
+PK$PEAK: m/z int. rel.int.
+  137.0705 244064 36
+  137.0958 260704.8 39
+  138.1274 552504 82
+  140.0819 292950.1 43
+  141.0655 465808.5 69
+  143.1062 2094785.6 313
+  145.1006 524586.2 78
+  147.0801 892503.1 133
+  150.1278 971372.2 145
+  153.1019 732115 109
+  155.0452 423024.2 63
+  155.0811 3130480.2 468
+  163.1114 505284.4 75
+  164.1066 545196.7 81
+  165.0657 161815 24
+  167.081 650306.1 97
+  167.1178 1068550.5 160
+  168.0771 470537.9 70
+  168.1375 813584.3 121
+  181.0605 285488.8 42
+  183.1487 6668797 999
+  185.0921 428880.6 64
+  186.1484 1022550.6 153
+  187.0707 522049.2 78
+  195.1124 818442.1 122
+  198.1484 745556.5 111
+  208.1314 650289.2 97
+  211.1434 846198.6 126
+  216.1374 1414058 211
+  216.1595 1607381.2 240
+  220.1077 350816.8 52
+  238.1178 219075.4 32
+  261.181 613847.4 91
+  265.1542 272659 40
+  266.1133 441399.4 66
+  313.211 848804.1 127
+//
diff --git a/Eawag/MSBNK-EAWAG-ED017308.txt b/Eawag/MSBNK-EAWAG-ED017308.txt
new file mode 100644
index 0000000000..111f0c7c9d
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED017308.txt
@@ -0,0 +1,84 @@
+ACCESSION: MSBNK-EAWAG-ED017308
+RECORD_TITLE: Portoamide C; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1073/pnas.0914343107
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 173
+CH$NAME: Portoamide C
+CH$NAME: 3-((6R,9S,15S,18R,20aS,25aS,34R,40aS,E)-18-((S)-sec-butyl)-12-ethylidene-37-hydroxy-9-((R)-1-hydroxyethyl)-15-(hydroxymethyl)-6-(4-methoxyphenethyl)-5,8,11,14,17,20,25,30,33,36,40-undecaoxo-38-(2,4,5-trihydroxy-7-methyloctyl)octatriacontahydro-1H,25H-tripyrrolo[1,2-b1:1`,2`-g:1``,2``-j][1,4,7,10,13,16,19,22,25,28,31]undecaazacyclotetratriacontin-34-yl)propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C62H96N12O19
+CH$EXACT_MASS: 1312.691469
+CH$SMILES: O=C([C@@H](CCC(N)=O)NC1=O)NCC(N2[C@@H](CCC2)C(N3[C@@H](CCC3)C(N[C@H]([C@@H](C)CC)C(N[C@@H](CO)C(N/C(C(N[C@@H]([C@@H](C)O)C(N[C@H](CCC4=CC=C(OC)C=C4)C(N5[C@@H](CCC5)C(NC(CC(O)CC(O)C(O)CC(C)C)C1O)=O)=O)=O)=O)=C/C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C62H96N12O19/c1-8-33(5)50-58(88)69-42(31-75)55(85)65-38(9-2)54(84)71-51(34(6)76)59(89)67-40(21-18-35-16-19-37(93-7)20-17-35)61(91)73-25-10-13-43(73)56(86)68-41(28-36(77)29-47(79)46(78)27-32(3)4)52(82)60(90)66-39(22-23-48(63)80)53(83)64-30-49(81)72-24-12-15-45(72)62(92)74-26-11-14-44(74)57(87)70-50/h9,16-17,19-20,32-34,36,39-47,50-52,75-79,82H,8,10-15,18,21-31H2,1-7H3,(H2,63,80)(H,64,83)(H,65,85)(H,66,90)(H,67,89)(H,68,86)(H,69,88)(H,70,87)(H,71,84)/b38-9+/t33-,34+,36?,39+,40+,41?,42-,43-,44-,45-,46?,47?,50+,51-,52?/m0/s1
+CH$LINK: PUBCHEM CID:146683715
+CH$LINK: INCHIKEY ACFCYNJDAMJVRV-SFBMPHMPSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 136-1361
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.099 min
+MS$FOCUSED_ION: BASE_PEAK 657.3516
+MS$FOCUSED_ION: PRECURSOR_M/Z 1313.6987
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-001l-0910000000-a0123a6d66b6ebf7d7b0
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  137.0706 C7H9N2O+ 1 137.0709 -2.49
+  138.1277 C9H16N+ 1 138.1277 0.11
+  139.0863 C7H11N2O+ 1 139.0866 -1.88
+  141.0657 C6H9N2O2+ 1 141.0659 -0.94
+  143.1063 C8H15O2+ 1 143.1067 -2.68
+  147.08 C10H11O+ 1 147.0804 -2.8
+  150.1276 C10H16N+ 1 150.1277 -0.91
+  153.1021 C8H13N2O+ 1 153.1022 -1.07
+  155.0449 C6H7N2O3+ 1 155.0451 -1.2
+  155.0811 C7H11N2O2+ 1 155.0815 -2.33
+  163.1117 C11H15O+ 1 163.1117 -0.32
+  165.1021 C9H13N2O+ 1 165.1022 -0.92
+  167.081 C8H11N2O2+ 1 167.0815 -2.78
+  167.1179 C9H15N2O+ 1 167.1179 0.36
+  168.1385 C10H18NO+ 1 168.1383 1.52
+  183.1487 C10H19N2O+ 2 183.1492 -2.45
+  195.1131 C10H15N2O2+ 1 195.1128 1.64
+  198.1484 C11H20NO2+ 2 198.1489 -2.4
+  208.1323 C10H16N4O+ 2 208.1319 2.1
+  216.1364 C12H16N4+ 2 216.1369 -2.39
+  220.1078 C9H12N6O+ 2 220.1067 4.89
+PK$NUM_PEAK: 21
+PK$PEAK: m/z int. rel.int.
+  137.0706 296894.3 122
+  138.1277 390937.6 161
+  139.0863 589013.6 243
+  141.0657 523693.6 216
+  143.1063 1187955.1 490
+  147.08 568080.9 234
+  150.1276 708565.9 292
+  153.1021 494552.3 204
+  155.0449 303027.1 125
+  155.0811 1174011.4 484
+  163.1117 276536.3 114
+  165.1021 260921.1 107
+  167.081 308943.6 127
+  167.1179 452308 186
+  168.1385 357596.5 147
+  183.1487 2420223.8 999
+  195.1131 309170.6 127
+  198.1484 321459.4 132
+  208.1323 335546.5 138
+  216.1364 749691.1 309
+  220.1078 333499 137
+//
diff --git a/Eawag/MSBNK-EAWAG-ED017351.txt b/Eawag/MSBNK-EAWAG-ED017351.txt
new file mode 100644
index 0000000000..c0e66d4b47
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED017351.txt
@@ -0,0 +1,58 @@
+ACCESSION: MSBNK-EAWAG-ED017351
+RECORD_TITLE: Portoamide C; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1073/pnas.0914343107
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 173
+CH$NAME: Portoamide C
+CH$NAME: 3-((6R,9S,15S,18R,20aS,25aS,34R,40aS,E)-18-((S)-sec-butyl)-12-ethylidene-37-hydroxy-9-((R)-1-hydroxyethyl)-15-(hydroxymethyl)-6-(4-methoxyphenethyl)-5,8,11,14,17,20,25,30,33,36,40-undecaoxo-38-(2,4,5-trihydroxy-7-methyloctyl)octatriacontahydro-1H,25H-tripyrrolo[1,2-b1:1`,2`-g:1``,2``-j][1,4,7,10,13,16,19,22,25,28,31]undecaazacyclotetratriacontin-34-yl)propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C62H96N12O19
+CH$EXACT_MASS: 1312.691469
+CH$SMILES: O=C([C@@H](CCC(N)=O)NC1=O)NCC(N2[C@@H](CCC2)C(N3[C@@H](CCC3)C(N[C@H]([C@@H](C)CC)C(N[C@@H](CO)C(N/C(C(N[C@@H]([C@@H](C)O)C(N[C@H](CCC4=CC=C(OC)C=C4)C(N5[C@@H](CCC5)C(NC(CC(O)CC(O)C(O)CC(C)C)C1O)=O)=O)=O)=O)=C/C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C62H96N12O19/c1-8-33(5)50-58(88)69-42(31-75)55(85)65-38(9-2)54(84)71-51(34(6)76)59(89)67-40(21-18-35-16-19-37(93-7)20-17-35)61(91)73-25-10-13-43(73)56(86)68-41(28-36(77)29-47(79)46(78)27-32(3)4)52(82)60(90)66-39(22-23-48(63)80)53(83)64-30-49(81)72-24-12-15-45(72)62(92)74-26-11-14-44(74)57(87)70-50/h9,16-17,19-20,32-34,36,39-47,50-52,75-79,82H,8,10-15,18,21-31H2,1-7H3,(H2,63,80)(H,64,83)(H,65,85)(H,66,90)(H,67,89)(H,68,86)(H,69,88)(H,70,87)(H,71,84)/b38-9+/t33-,34+,36?,39+,40+,41?,42-,43-,44-,45-,46?,47?,50+,51-,52?/m0/s1
+CH$LINK: PUBCHEM CID:146683715
+CH$LINK: INCHIKEY ACFCYNJDAMJVRV-SFBMPHMPSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 135-1359
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.112 min
+MS$FOCUSED_ION: BASE_PEAK 1357.6898
+MS$FOCUSED_ION: PRECURSOR_M/Z 1311.6842
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-014i-0093000000-097b69f5c4d25f6c762b
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  1237.6474 C59H89N12O17- 2 1237.6474 -0.03
+  1238.6378 C62H86N12O15- 3 1238.6341 3.02
+  1249.6476 C60H89N12O17- 2 1249.6474 0.17
+  1267.6578 C60H91N12O18- 2 1267.658 -0.16
+  1268.6555 C61H92N10O19- 1 1268.6546 0.7
+  1281.6721 C61H93N12O18- 1 1281.6736 -1.22
+  1293.6726 C62H93N12O18- 1 1293.6736 -0.82
+  1311.6837 C62H95N12O19- 1 1311.6842 -0.38
+PK$NUM_PEAK: 8
+PK$PEAK: m/z int. rel.int.
+  1237.6474 12962018 173
+  1238.6378 1018066 13
+  1249.6476 6165563 82
+  1267.6578 74631064 999
+  1268.6555 6109354.5 81
+  1281.6721 2832868.2 37
+  1293.6726 2944911.2 39
+  1311.6837 37191704 497
+//
diff --git a/Eawag/MSBNK-EAWAG-ED017352.txt b/Eawag/MSBNK-EAWAG-ED017352.txt
new file mode 100644
index 0000000000..5706d8bc55
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED017352.txt
@@ -0,0 +1,70 @@
+ACCESSION: MSBNK-EAWAG-ED017352
+RECORD_TITLE: Portoamide C; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1073/pnas.0914343107
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 173
+CH$NAME: Portoamide C
+CH$NAME: 3-((6R,9S,15S,18R,20aS,25aS,34R,40aS,E)-18-((S)-sec-butyl)-12-ethylidene-37-hydroxy-9-((R)-1-hydroxyethyl)-15-(hydroxymethyl)-6-(4-methoxyphenethyl)-5,8,11,14,17,20,25,30,33,36,40-undecaoxo-38-(2,4,5-trihydroxy-7-methyloctyl)octatriacontahydro-1H,25H-tripyrrolo[1,2-b1:1`,2`-g:1``,2``-j][1,4,7,10,13,16,19,22,25,28,31]undecaazacyclotetratriacontin-34-yl)propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C62H96N12O19
+CH$EXACT_MASS: 1312.691469
+CH$SMILES: O=C([C@@H](CCC(N)=O)NC1=O)NCC(N2[C@@H](CCC2)C(N3[C@@H](CCC3)C(N[C@H]([C@@H](C)CC)C(N[C@@H](CO)C(N/C(C(N[C@@H]([C@@H](C)O)C(N[C@H](CCC4=CC=C(OC)C=C4)C(N5[C@@H](CCC5)C(NC(CC(O)CC(O)C(O)CC(C)C)C1O)=O)=O)=O)=O)=C/C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C62H96N12O19/c1-8-33(5)50-58(88)69-42(31-75)55(85)65-38(9-2)54(84)71-51(34(6)76)59(89)67-40(21-18-35-16-19-37(93-7)20-17-35)61(91)73-25-10-13-43(73)56(86)68-41(28-36(77)29-47(79)46(78)27-32(3)4)52(82)60(90)66-39(22-23-48(63)80)53(83)64-30-49(81)72-24-12-15-45(72)62(92)74-26-11-14-44(74)57(87)70-50/h9,16-17,19-20,32-34,36,39-47,50-52,75-79,82H,8,10-15,18,21-31H2,1-7H3,(H2,63,80)(H,64,83)(H,65,85)(H,66,90)(H,67,89)(H,68,86)(H,69,88)(H,70,87)(H,71,84)/b38-9+/t33-,34+,36?,39+,40+,41?,42-,43-,44-,45-,46?,47?,50+,51-,52?/m0/s1
+CH$LINK: PUBCHEM CID:146683715
+CH$LINK: INCHIKEY ACFCYNJDAMJVRV-SFBMPHMPSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 135-1359
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.112 min
+MS$FOCUSED_ION: BASE_PEAK 1357.6898
+MS$FOCUSED_ION: PRECURSOR_M/Z 1311.6842
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-014r-0090000000-e8ed2b01032488eb01bb
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  1123.5693 C56H81N7O17- 11 1123.5694 -0.16
+  1219.6362 C59H87N12O16- 3 1219.6368 -0.49
+  1220.6228 C61H88N8O18- 3 1220.6222 0.5
+  1231.6336 C57H89N11O19- 3 1231.6342 -0.49
+  1237.6466 C59H89N12O17- 2 1237.6474 -0.63
+  1238.6366 C62H86N12O15- 3 1238.6341 2.03
+  1249.6469 C60H89N12O17- 2 1249.6474 -0.42
+  1250.6401 C61H90N10O18- 1 1250.644 -3.16
+  1263.6634 C61H91N12O17- 1 1263.6631 0.26
+  1267.6575 C60H91N12O18- 2 1267.658 -0.35
+  1268.6552 C61H92N10O19- 1 1268.6546 0.51
+  1281.6722 C61H93N12O18- 1 1281.6736 -1.12
+  1293.6715 C62H93N12O18- 1 1293.6736 -1.67
+  1311.6848 C62H95N12O19- 1 1311.6842 0.46
+PK$NUM_PEAK: 14
+PK$PEAK: m/z int. rel.int.
+  1123.5693 1221458 25
+  1219.6362 16532119 350
+  1220.6228 1450904.9 30
+  1231.6336 1112447.2 23
+  1237.6466 47088976 999
+  1238.6366 3755987 79
+  1249.6469 19445830 412
+  1250.6401 1606460.4 34
+  1263.6634 620537.4 13
+  1267.6575 35062664 743
+  1268.6552 3183448.2 67
+  1281.6722 982787 20
+  1293.6715 1681694.9 35
+  1311.6848 2323350.5 49
+//
diff --git a/Eawag/MSBNK-EAWAG-ED017353.txt b/Eawag/MSBNK-EAWAG-ED017353.txt
new file mode 100644
index 0000000000..438d679e46
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED017353.txt
@@ -0,0 +1,76 @@
+ACCESSION: MSBNK-EAWAG-ED017353
+RECORD_TITLE: Portoamide C; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1073/pnas.0914343107
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 173
+CH$NAME: Portoamide C
+CH$NAME: 3-((6R,9S,15S,18R,20aS,25aS,34R,40aS,E)-18-((S)-sec-butyl)-12-ethylidene-37-hydroxy-9-((R)-1-hydroxyethyl)-15-(hydroxymethyl)-6-(4-methoxyphenethyl)-5,8,11,14,17,20,25,30,33,36,40-undecaoxo-38-(2,4,5-trihydroxy-7-methyloctyl)octatriacontahydro-1H,25H-tripyrrolo[1,2-b1:1`,2`-g:1``,2``-j][1,4,7,10,13,16,19,22,25,28,31]undecaazacyclotetratriacontin-34-yl)propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C62H96N12O19
+CH$EXACT_MASS: 1312.691469
+CH$SMILES: O=C([C@@H](CCC(N)=O)NC1=O)NCC(N2[C@@H](CCC2)C(N3[C@@H](CCC3)C(N[C@H]([C@@H](C)CC)C(N[C@@H](CO)C(N/C(C(N[C@@H]([C@@H](C)O)C(N[C@H](CCC4=CC=C(OC)C=C4)C(N5[C@@H](CCC5)C(NC(CC(O)CC(O)C(O)CC(C)C)C1O)=O)=O)=O)=O)=C/C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C62H96N12O19/c1-8-33(5)50-58(88)69-42(31-75)55(85)65-38(9-2)54(84)71-51(34(6)76)59(89)67-40(21-18-35-16-19-37(93-7)20-17-35)61(91)73-25-10-13-43(73)56(86)68-41(28-36(77)29-47(79)46(78)27-32(3)4)52(82)60(90)66-39(22-23-48(63)80)53(83)64-30-49(81)72-24-12-15-45(72)62(92)74-26-11-14-44(74)57(87)70-50/h9,16-17,19-20,32-34,36,39-47,50-52,75-79,82H,8,10-15,18,21-31H2,1-7H3,(H2,63,80)(H,64,83)(H,65,85)(H,66,90)(H,67,89)(H,68,86)(H,69,88)(H,70,87)(H,71,84)/b38-9+/t33-,34+,36?,39+,40+,41?,42-,43-,44-,45-,46?,47?,50+,51-,52?/m0/s1
+CH$LINK: PUBCHEM CID:146683715
+CH$LINK: INCHIKEY ACFCYNJDAMJVRV-SFBMPHMPSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 135-1359
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.112 min
+MS$FOCUSED_ION: BASE_PEAK 1357.6898
+MS$FOCUSED_ION: PRECURSOR_M/Z 1311.6842
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-014r-0090000000-bd4eff216905a6375b95
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  752.4191 C48H50N9- 22 752.4195 -0.48
+  1097.5869 C52H85N6O19- 11 1097.5875 -0.51
+  1109.5887 C54H81N10O15- 11 1109.5888 -0.16
+  1123.5691 C56H81N7O17- 10 1123.5694 -0.27
+  1140.5954 C56H84N8O17- 8 1140.596 -0.52
+  1201.6295 C61H87N9O16- 4 1201.6276 1.57
+  1206.6449 C62H86N12O13- 5 1206.6443 0.51
+  1219.636 C59H87N12O16- 3 1219.6368 -0.7
+  1220.6226 C61H88N8O18- 3 1220.6222 0.3
+  1231.6341 C57H89N11O19- 3 1231.6342 -0.09
+  1237.6465 C59H89N12O17- 2 1237.6474 -0.72
+  1238.6368 C62H86N12O15- 3 1238.6341 2.13
+  1249.6473 C60H89N12O17- 2 1249.6474 -0.12
+  1250.6401 C61H90N10O18- 1 1250.644 -3.16
+  1263.662 C61H91N12O17- 1 1263.6631 -0.81
+  1267.6577 C60H91N12O18- 2 1267.658 -0.26
+  1268.6547 C61H92N10O19- 1 1268.6546 0.12
+PK$NUM_PEAK: 17
+PK$PEAK: m/z int. rel.int.
+  752.4191 2471408.5 71
+  1097.5869 1453110.4 42
+  1109.5887 390955.3 11
+  1123.5691 2082342.6 60
+  1140.5954 1500745.8 43
+  1201.6295 616337.4 17
+  1206.6449 380629.1 11
+  1219.636 31564094 916
+  1220.6226 3174501.5 92
+  1231.6341 1404861.1 40
+  1237.6465 34395452 999
+  1238.6368 2762493.2 80
+  1249.6473 10956342 318
+  1250.6401 963601.6 27
+  1263.662 635834.1 18
+  1267.6577 5714756 165
+  1268.6547 489350 14
+//
diff --git a/Eawag/MSBNK-EAWAG-ED017354.txt b/Eawag/MSBNK-EAWAG-ED017354.txt
new file mode 100644
index 0000000000..82438e4240
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED017354.txt
@@ -0,0 +1,108 @@
+ACCESSION: MSBNK-EAWAG-ED017354
+RECORD_TITLE: Portoamide C; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1073/pnas.0914343107
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 173
+CH$NAME: Portoamide C
+CH$NAME: 3-((6R,9S,15S,18R,20aS,25aS,34R,40aS,E)-18-((S)-sec-butyl)-12-ethylidene-37-hydroxy-9-((R)-1-hydroxyethyl)-15-(hydroxymethyl)-6-(4-methoxyphenethyl)-5,8,11,14,17,20,25,30,33,36,40-undecaoxo-38-(2,4,5-trihydroxy-7-methyloctyl)octatriacontahydro-1H,25H-tripyrrolo[1,2-b1:1`,2`-g:1``,2``-j][1,4,7,10,13,16,19,22,25,28,31]undecaazacyclotetratriacontin-34-yl)propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C62H96N12O19
+CH$EXACT_MASS: 1312.691469
+CH$SMILES: O=C([C@@H](CCC(N)=O)NC1=O)NCC(N2[C@@H](CCC2)C(N3[C@@H](CCC3)C(N[C@H]([C@@H](C)CC)C(N[C@@H](CO)C(N/C(C(N[C@@H]([C@@H](C)O)C(N[C@H](CCC4=CC=C(OC)C=C4)C(N5[C@@H](CCC5)C(NC(CC(O)CC(O)C(O)CC(C)C)C1O)=O)=O)=O)=O)=C/C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C62H96N12O19/c1-8-33(5)50-58(88)69-42(31-75)55(85)65-38(9-2)54(84)71-51(34(6)76)59(89)67-40(21-18-35-16-19-37(93-7)20-17-35)61(91)73-25-10-13-43(73)56(86)68-41(28-36(77)29-47(79)46(78)27-32(3)4)52(82)60(90)66-39(22-23-48(63)80)53(83)64-30-49(81)72-24-12-15-45(72)62(92)74-26-11-14-44(74)57(87)70-50/h9,16-17,19-20,32-34,36,39-47,50-52,75-79,82H,8,10-15,18,21-31H2,1-7H3,(H2,63,80)(H,64,83)(H,65,85)(H,66,90)(H,67,89)(H,68,86)(H,69,88)(H,70,87)(H,71,84)/b38-9+/t33-,34+,36?,39+,40+,41?,42-,43-,44-,45-,46?,47?,50+,51-,52?/m0/s1
+CH$LINK: PUBCHEM CID:146683715
+CH$LINK: INCHIKEY ACFCYNJDAMJVRV-SFBMPHMPSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 135-1359
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.112 min
+MS$FOCUSED_ION: BASE_PEAK 1357.6898
+MS$FOCUSED_ION: PRECURSOR_M/Z 1311.6842
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-014r-0190010100-534e45b69bf69a63d37b
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  137.518 C2H67NO2- 1 137.5177 2.3
+  139.051 C6H7N2O2- 1 139.0513 -2.11
+  145.0613 C5H9N2O3- 1 145.0619 -4.15
+  153.0665 C7H9N2O2- 1 153.067 -2.94
+  155.0458 C6H7N2O3- 1 155.0462 -2.78
+  178.0614 C8H8N3O2- 2 178.0622 -4.59
+  226.1553 C9H18N6O- 2 226.1548 2.52
+  243.1231 C10H17N3O4- 3 243.1225 2.59
+  264.0984 C12H14N3O4- 2 264.099 -2.33
+  281.1247 C11H21O8- 3 281.1242 1.83
+  309.1194 C12H21O9- 4 309.1191 0.88
+  371.1815 H31N6O16- 12 371.1802 3.6
+  387.165 C16H25N3O8- 11 387.1647 0.7
+  426.2004 C21H26N6O4- 11 426.2021 -3.9
+  483.2348 C22H29N9O4- 12 483.2348 -0.04
+  491.2611 C22H39N2O10- 12 491.261 0.21
+  507.2452 C8H35N12O13- 15 507.2452 0
+  525.2555 C8H37N12O14- 15 525.2558 -0.45
+  542.2825 C9H46N6O19- 15 542.2823 0.26
+  603.3033 C29H37N11O4- 18 603.3035 -0.47
+  639.3351 C43H45NO4- 16 639.3354 -0.49
+  752.4194 C48H50N9- 21 752.4195 -0.07
+  1097.5875 C52H85N6O19- 12 1097.5875 0.04
+  1123.5693 C56H81N7O17- 11 1123.5694 -0.16
+  1140.596 C56H84N8O17- 9 1140.596 0.01
+  1192.6257 C58H86N11O16- 5 1192.6259 -0.19
+  1201.6276 C61H87N9O16- 4 1201.6276 -0.05
+  1219.6362 C59H87N12O16- 3 1219.6368 -0.49
+  1231.6347 C57H89N11O19- 3 1231.6342 0.41
+  1237.6472 C59H89N12O17- 2 1237.6474 -0.13
+  1238.6369 C62H86N12O15- 3 1238.6341 2.23
+  1249.6477 C60H89N12O17- 2 1249.6474 0.27
+  1267.6579 C60H91N12O18- 2 1267.658 -0.06
+PK$NUM_PEAK: 33
+PK$PEAK: m/z int. rel.int.
+  137.518 615049.1 40
+  139.051 224902.8 14
+  145.0613 158972.1 10
+  153.0665 330937.1 21
+  155.0458 332318.2 22
+  178.0614 197853.1 13
+  226.1553 955928.6 63
+  243.1231 216496.8 14
+  264.0984 389503.8 25
+  281.1247 644295 42
+  309.1194 1077686.1 71
+  371.1815 300542 19
+  387.165 342702.4 22
+  426.2004 176604.9 11
+  483.2348 652173.2 43
+  491.2611 663633.8 44
+  507.2452 505330.8 33
+  525.2555 2945951.2 195
+  542.2825 676102.1 44
+  603.3033 378387.1 25
+  639.3351 712676.1 47
+  752.4194 4024054.5 266
+  1097.5875 1449486.1 96
+  1123.5693 957418.4 63
+  1140.596 648284 43
+  1192.6257 1236606.8 82
+  1201.6276 797356.5 52
+  1219.6362 15058109 999
+  1231.6347 534863.6 35
+  1237.6472 12185247 808
+  1238.6369 1006878.5 66
+  1249.6477 2672755.2 177
+  1267.6579 876769.8 58
+//
diff --git a/Eawag/MSBNK-EAWAG-ED017355.txt b/Eawag/MSBNK-EAWAG-ED017355.txt
new file mode 100644
index 0000000000..811839d8a9
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED017355.txt
@@ -0,0 +1,182 @@
+ACCESSION: MSBNK-EAWAG-ED017355
+RECORD_TITLE: Portoamide C; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1073/pnas.0914343107
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 173
+CH$NAME: Portoamide C
+CH$NAME: 3-((6R,9S,15S,18R,20aS,25aS,34R,40aS,E)-18-((S)-sec-butyl)-12-ethylidene-37-hydroxy-9-((R)-1-hydroxyethyl)-15-(hydroxymethyl)-6-(4-methoxyphenethyl)-5,8,11,14,17,20,25,30,33,36,40-undecaoxo-38-(2,4,5-trihydroxy-7-methyloctyl)octatriacontahydro-1H,25H-tripyrrolo[1,2-b1:1`,2`-g:1``,2``-j][1,4,7,10,13,16,19,22,25,28,31]undecaazacyclotetratriacontin-34-yl)propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C62H96N12O19
+CH$EXACT_MASS: 1312.691469
+CH$SMILES: O=C([C@@H](CCC(N)=O)NC1=O)NCC(N2[C@@H](CCC2)C(N3[C@@H](CCC3)C(N[C@H]([C@@H](C)CC)C(N[C@@H](CO)C(N/C(C(N[C@@H]([C@@H](C)O)C(N[C@H](CCC4=CC=C(OC)C=C4)C(N5[C@@H](CCC5)C(NC(CC(O)CC(O)C(O)CC(C)C)C1O)=O)=O)=O)=O)=C/C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C62H96N12O19/c1-8-33(5)50-58(88)69-42(31-75)55(85)65-38(9-2)54(84)71-51(34(6)76)59(89)67-40(21-18-35-16-19-37(93-7)20-17-35)61(91)73-25-10-13-43(73)56(86)68-41(28-36(77)29-47(79)46(78)27-32(3)4)52(82)60(90)66-39(22-23-48(63)80)53(83)64-30-49(81)72-24-12-15-45(72)62(92)74-26-11-14-44(74)57(87)70-50/h9,16-17,19-20,32-34,36,39-47,50-52,75-79,82H,8,10-15,18,21-31H2,1-7H3,(H2,63,80)(H,64,83)(H,65,85)(H,66,90)(H,67,89)(H,68,86)(H,69,88)(H,70,87)(H,71,84)/b38-9+/t33-,34+,36?,39+,40+,41?,42-,43-,44-,45-,46?,47?,50+,51-,52?/m0/s1
+CH$LINK: PUBCHEM CID:146683715
+CH$LINK: INCHIKEY ACFCYNJDAMJVRV-SFBMPHMPSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 135-1359
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.112 min
+MS$FOCUSED_ION: BASE_PEAK 1357.6898
+MS$FOCUSED_ION: PRECURSOR_M/Z 1311.6842
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-004i-0892020000-53da8adea33844e1dda0
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  137.0719 C7H9N2O- 1 137.072 -0.79
+  138.0672 C6H8N3O- 1 138.0673 -0.58
+  139.0511 C6H7N2O2- 1 139.0513 -1.78
+  139.0878 C7H11N2O- 1 139.0877 0.46
+  140.0349 C6H6NO3- 1 140.0353 -3.09
+  140.0827 C6H10N3O- 1 140.0829 -1.32
+  141.0667 C6H9N2O2- 1 141.067 -2.09
+  141.0916 C8H13O2- 1 141.0921 -3.86
+  144.0662 C6H10NO3- 1 144.0666 -3.1
+  144.0783 C5H10N3O2- 1 144.0779 3.13
+  145.0616 C5H9N2O3- 1 145.0619 -1.94
+  149.0716 C8H9N2O- 1 149.072 -2.61
+  151.0509 C7H7N2O2- 1 151.0513 -2.64
+  153.0666 C7H9N2O2- 1 153.067 -2.54
+  154.0614 C4H6N6O- 1 154.0609 3.57
+  155.0459 C6H7N2O3- 1 155.0462 -2.09
+  156.0775 C6H10N3O2- 1 156.0779 -2.28
+  163.0509 C8H7N2O2- 1 163.0513 -2.32
+  165.0665 C8H9N2O2- 1 165.067 -2.95
+  167.0455 C7H7N2O3- 2 167.0462 -4.06
+  167.0818 C6H9N5O- 2 167.0813 3.2
+  169.0978 C8H13N2O2- 1 169.0983 -2.8
+  170.0928 C5H10N6O- 2 170.0922 3.83
+  176.0456 C6H4N6O- 1 176.0452 2
+  178.0615 C8H8N3O2- 2 178.0622 -3.73
+  179.0456 C8H7N2O3- 2 179.0462 -3.19
+  180.0775 C8H10N3O2- 1 180.0779 -2.04
+  181.135 C10H17N2O- 1 181.1346 2.1
+  184.0726 C7H10N3O3- 1 184.0728 -0.94
+  185.056 C7H9N2O4- 2 185.0568 -4.04
+  191.1183 C11H15N2O- 2 191.119 -3.79
+  193.0616 C9H9N2O3- 1 193.0619 -1.43
+  193.0972 C8H11N5O- 1 193.0969 1.29
+  195.0776 C9H11N2O3- 1 195.0775 0.25
+  206.0936 C10H12N3O2- 1 206.0935 0.38
+  208.1449 C11H18N3O- 2 208.1455 -2.87
+  211.0716 C7H9N5O3- 2 211.0711 2.37
+  222.1604 C10H18N6- 2 222.1598 2.42
+  226.1554 C9H18N6O- 2 226.1548 2.73
+  227.1144 C8H19O7- 3 227.1136 3.29
+  230.0814 C11H10N4O2- 2 230.0809 1.99
+  238.0824 C8H10N6O3- 2 238.082 1.94
+  238.1181 C9H14N6O2- 3 238.1184 -0.98
+  240.1707 C10H20N6O- 2 240.1704 1.31
+  243.1227 C10H17N3O4- 3 243.1225 0.9
+  245.0927 C13H13N2O3- 3 245.0932 -2
+  247.1078 C13H15N2O3- 2 247.1088 -4.12
+  248.1037 C12H14N3O3- 2 248.1041 -1.62
+  250.0833 C11H12N3O4- 1 250.0833 -0.27
+  250.1186 C10H14N6O2- 2 250.1184 0.8
+  252.1343 C10H16N6O2- 2 252.134 1.12
+  252.1704 C11H20N6O- 1 252.1704 0
+  263.1144 C11H19O7- 3 263.1136 2.77
+  264.0987 C12H14N3O4- 2 264.099 -1.17
+  265.1658 C12H25O6- 3 265.1657 0.67
+  268.1655 C11H20N6O2- 2 268.1653 0.57
+  281.1248 C11H21O8- 3 281.1242 2.15
+  283.1763 C12H27O7- 3 283.1762 0.29
+  286.1559 C16H20N3O2- 6 286.1561 -0.72
+  291.1089 C12H19O8- 3 291.1085 1.12
+  304.1669 C16H22N3O3- 6 304.1667 0.78
+  309.1197 C12H21O9- 5 309.1191 1.96
+  352.1296 C4H24N4O14- 8 352.1295 0.37
+  371.1802 H31N6O16- 8 371.1802 0.06
+  398.2288 C3H32N11O11- 10 398.2288 -0.08
+  491.2611 C22H39N2O10- 12 491.261 0.15
+  507.2451 C8H35N12O13- 16 507.2452 -0.3
+  525.2557 C8H37N12O14- 14 525.2558 -0.1
+  542.2822 C9H46N6O19- 15 542.2823 -0.19
+  639.3352 C43H45NO4- 16 639.3354 -0.39
+PK$NUM_PEAK: 70
+PK$PEAK: m/z int. rel.int.
+  137.0719 52489.2 12
+  138.0672 179116.6 41
+  139.0511 950833.2 217
+  139.0878 51581.2 11
+  140.0349 75379.6 17
+  140.0827 153921.9 35
+  141.0667 208627.3 47
+  141.0916 52460.7 12
+  144.0662 284649.1 65
+  144.0783 62922.4 14
+  145.0616 248284.4 56
+  149.0716 64891.9 14
+  151.0509 217186.4 49
+  153.0666 2520742.5 577
+  154.0614 141931.5 32
+  155.0459 845377.2 193
+  156.0775 383740 87
+  163.0509 231145.7 52
+  165.0665 133867.8 30
+  167.0455 573616.8 131
+  167.0818 130237.9 29
+  169.0978 669490.8 153
+  170.0928 345851.7 79
+  176.0456 71219.7 16
+  178.0615 495380.2 113
+  179.0456 238159 54
+  180.0775 176080.6 40
+  181.135 132544.2 30
+  184.0726 309428.3 70
+  185.056 183995.7 42
+  191.1183 159080.2 36
+  193.0616 95369 21
+  193.0972 128542.6 29
+  195.0776 60257.7 13
+  206.0936 71515.1 16
+  208.1449 99650.7 22
+  211.0716 287800.8 65
+  222.1604 52470.2 12
+  226.1554 4357932.5 999
+  227.1144 52777 12
+  230.0814 252394.3 57
+  238.0824 63900 14
+  238.1181 50564.9 11
+  240.1707 138644.7 31
+  243.1227 162343.1 37
+  245.0927 160863.8 36
+  247.1078 328653.9 75
+  248.1037 67806.5 15
+  250.0833 56559.8 12
+  250.1186 145300.7 33
+  252.1343 177563.6 40
+  252.1704 62931 14
+  263.1144 201497 46
+  264.0987 694672.2 159
+  265.1658 84662.4 19
+  268.1655 245962 56
+  281.1248 1637414.5 375
+  283.1763 554046.9 127
+  286.1559 251514.8 57
+  291.1089 707922.8 162
+  304.1669 284812.2 65
+  309.1197 1511775 346
+  352.1296 167166.1 38
+  371.1802 312512.8 71
+  398.2288 250432.1 57
+  491.2611 178318.4 40
+  507.2451 544643.7 124
+  525.2557 2034733.8 466
+  542.2822 327619.2 75
+  639.3352 409297.8 93
+//
diff --git a/Eawag/MSBNK-EAWAG-ED017356.txt b/Eawag/MSBNK-EAWAG-ED017356.txt
new file mode 100644
index 0000000000..08d4b7ccac
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED017356.txt
@@ -0,0 +1,176 @@
+ACCESSION: MSBNK-EAWAG-ED017356
+RECORD_TITLE: Portoamide C; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1073/pnas.0914343107
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 173
+CH$NAME: Portoamide C
+CH$NAME: 3-((6R,9S,15S,18R,20aS,25aS,34R,40aS,E)-18-((S)-sec-butyl)-12-ethylidene-37-hydroxy-9-((R)-1-hydroxyethyl)-15-(hydroxymethyl)-6-(4-methoxyphenethyl)-5,8,11,14,17,20,25,30,33,36,40-undecaoxo-38-(2,4,5-trihydroxy-7-methyloctyl)octatriacontahydro-1H,25H-tripyrrolo[1,2-b1:1`,2`-g:1``,2``-j][1,4,7,10,13,16,19,22,25,28,31]undecaazacyclotetratriacontin-34-yl)propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C62H96N12O19
+CH$EXACT_MASS: 1312.691469
+CH$SMILES: O=C([C@@H](CCC(N)=O)NC1=O)NCC(N2[C@@H](CCC2)C(N3[C@@H](CCC3)C(N[C@H]([C@@H](C)CC)C(N[C@@H](CO)C(N/C(C(N[C@@H]([C@@H](C)O)C(N[C@H](CCC4=CC=C(OC)C=C4)C(N5[C@@H](CCC5)C(NC(CC(O)CC(O)C(O)CC(C)C)C1O)=O)=O)=O)=O)=C/C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C62H96N12O19/c1-8-33(5)50-58(88)69-42(31-75)55(85)65-38(9-2)54(84)71-51(34(6)76)59(89)67-40(21-18-35-16-19-37(93-7)20-17-35)61(91)73-25-10-13-43(73)56(86)68-41(28-36(77)29-47(79)46(78)27-32(3)4)52(82)60(90)66-39(22-23-48(63)80)53(83)64-30-49(81)72-24-12-15-45(72)62(92)74-26-11-14-44(74)57(87)70-50/h9,16-17,19-20,32-34,36,39-47,50-52,75-79,82H,8,10-15,18,21-31H2,1-7H3,(H2,63,80)(H,64,83)(H,65,85)(H,66,90)(H,67,89)(H,68,86)(H,69,88)(H,70,87)(H,71,84)/b38-9+/t33-,34+,36?,39+,40+,41?,42-,43-,44-,45-,46?,47?,50+,51-,52?/m0/s1
+CH$LINK: PUBCHEM CID:146683715
+CH$LINK: INCHIKEY ACFCYNJDAMJVRV-SFBMPHMPSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 135-1359
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.112 min
+MS$FOCUSED_ION: BASE_PEAK 1357.6898
+MS$FOCUSED_ION: PRECURSOR_M/Z 1311.6842
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0ufr-0960000000-d0125ec87896c26384d8
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  136.1129 C9H14N- 1 136.1132 -1.86
+  137.0716 C7H9N2O- 1 137.072 -3.02
+  138.0554 C7H8NO2- 1 138.0561 -4.65
+  138.0672 C6H8N3O- 1 138.0673 -0.47
+  139.051 C6H7N2O2- 1 139.0513 -1.89
+  139.0874 C7H11N2O- 1 139.0877 -2.18
+  140.0351 C6H6NO3- 1 140.0353 -1.24
+  140.071 C5H8N4O- 2 140.0704 4.69
+  140.0829 C6H10N3O- 1 140.0829 -0.02
+  141.0668 C6H9N2O2- 1 141.067 -1.33
+  143.1187 C7H15N2O- 1 143.119 -2.01
+  144.0782 C5H10N3O2- 1 144.0779 2.39
+  145.0617 C5H9N2O3- 1 145.0619 -0.99
+  149.0357 C7H5N2O2- 1 149.0357 0.01
+  151.0148 C6H3N2O3- 1 151.0149 -0.96
+  151.051 C7H7N2O2- 1 151.0513 -2.13
+  152.0831 C7H10N3O- 1 152.0829 0.88
+  153.0666 C7H9N2O2- 1 153.067 -2.44
+  154.0605 C4H6N6O- 1 154.0609 -2.57
+  155.046 C6H7N2O3- 1 155.0462 -1.5
+  155.082 C7H11N2O2- 2 155.0826 -3.82
+  156.0777 C6H10N3O2- 1 156.0779 -1.1
+  158.0933 C6H12N3O2- 1 158.0935 -1.12
+  163.0512 C8H7N2O2- 1 163.0513 -0.64
+  165.0664 C8H9N2O2- 1 165.067 -3.04
+  165.1391 C10H17N2- 1 165.1397 -3.52
+  166.0624 C7H8N3O2- 1 166.0622 1.45
+  167.0457 C7H7N2O3- 2 167.0462 -3.14
+  167.0817 C6H9N5O- 1 167.0813 2.83
+  168.0782 C7H10N3O2- 1 168.0779 1.87
+  169.0978 C8H13N2O2- 1 169.0983 -2.53
+  170.0929 C5H10N6O- 2 170.0922 4.64
+  178.0615 C8H8N3O2- 2 178.0622 -3.73
+  179.0457 C8H7N2O3- 2 179.0462 -3.02
+  181.0613 C6H7N5O2- 2 181.0605 4.56
+  181.1343 C10H17N2O- 1 181.1346 -1.69
+  183.1494 C8H17N5- 1 183.1489 2.3
+  184.0726 C7H10N3O3- 1 184.0728 -0.77
+  191.1183 C11H15N2O- 2 191.119 -3.55
+  193.0614 C9H9N2O3- 2 193.0619 -2.22
+  193.0976 C10H13N2O2- 2 193.0983 -3.13
+  203.1178 C10H13N5- 1 203.1176 0.6
+  204.0769 C8H8N6O- 2 204.0765 2.16
+  208.145 C11H18N3O- 2 208.1455 -2.8
+  209.1033 C8H17O6- 2 209.1031 1.27
+  209.129 C11H17N2O2- 2 209.1296 -2.46
+  210.0874 C7H10N6O2- 1 210.0871 1.32
+  211.0711 C7H9N5O3- 1 211.0711 -0.02
+  226.1554 C9H18N6O- 2 226.1548 2.79
+  229.097 C11H11N5O- 1 229.0969 0.23
+  230.0809 C11H10N4O2- 1 230.0809 0
+  238.0828 C8H10N6O3- 2 238.082 3.42
+  238.1186 C9H14N6O2- 2 238.1184 0.75
+  240.1707 C10H20N6O- 2 240.1704 1.06
+  247.1079 C13H15N2O3- 2 247.1088 -3.75
+  250.0824 C11H12N3O4- 2 250.0833 -3.87
+  250.1186 C10H14N6O2- 2 250.1184 0.98
+  252.1702 C11H20N6O- 3 252.1704 -0.67
+  263.1141 C11H19O7- 3 263.1136 1.84
+  264.0988 C12H14N3O4- 2 264.099 -0.83
+  265.1661 C12H25O6- 3 265.1657 1.47
+  268.1656 C11H20N6O2- 2 268.1653 1.13
+  281.1248 C11H21O8- 3 281.1242 2.04
+  283.1766 C12H27O7- 3 283.1762 1.16
+  291.1092 C12H19O8- 4 291.1085 2.27
+  304.1668 C16H22N3O3- 7 304.1667 0.38
+  309.1196 C12H21O9- 5 309.1191 1.67
+PK$NUM_PEAK: 67
+PK$PEAK: m/z int. rel.int.
+  136.1129 55405.8 13
+  137.0716 106964.2 25
+  138.0554 76849.6 18
+  138.0672 321134.4 76
+  139.051 1073681.5 254
+  139.0874 119392 28
+  140.0351 120723.8 28
+  140.071 49970.7 11
+  140.0829 254418.8 60
+  141.0668 264346.9 62
+  143.1187 44081.6 10
+  144.0782 85914.5 20
+  145.0617 127553.5 30
+  149.0357 47400.8 11
+  151.0148 51444.3 12
+  151.051 270818.4 64
+  152.0831 149413.7 35
+  153.0666 4219743.5 999
+  154.0605 117533.7 27
+  155.046 357405.9 84
+  155.082 372844.8 88
+  156.0777 267029.2 63
+  158.0933 49714.1 11
+  163.0512 334902.7 79
+  165.0664 162228.4 38
+  165.1391 44817.5 10
+  166.0624 153270 36
+  167.0457 440967.8 104
+  167.0817 152902.4 36
+  168.0782 223958.6 53
+  169.0978 880996.9 208
+  170.0929 389310.2 92
+  178.0615 372794.7 88
+  179.0457 319460.2 75
+  181.0613 76612.2 18
+  181.1343 319113.9 75
+  183.1494 64534.1 15
+  184.0726 266950.1 63
+  191.1183 122389.2 28
+  193.0614 60570.6 14
+  193.0976 136163.5 32
+  203.1178 68028.8 16
+  204.0769 49637.9 11
+  208.145 208262.1 49
+  209.1033 149873.3 35
+  209.129 434816.7 102
+  210.0874 251099.7 59
+  211.0711 205799.6 48
+  226.1554 3557992 842
+  229.097 83467.5 19
+  230.0809 164302.5 38
+  238.0828 90889.6 21
+  238.1186 57317.8 13
+  240.1707 192686.7 45
+  247.1079 352008 83
+  250.0824 68025 16
+  250.1186 155768.2 36
+  252.1702 42261.9 10
+  263.1141 157082.3 37
+  264.0988 466870.8 110
+  265.1661 153993.6 36
+  268.1656 146669.3 34
+  281.1248 997831.4 236
+  283.1766 318262.4 75
+  291.1092 412649.2 97
+  304.1668 398881.8 94
+  309.1196 487701.8 115
+//
diff --git a/Eawag/MSBNK-EAWAG-ED017357.txt b/Eawag/MSBNK-EAWAG-ED017357.txt
new file mode 100644
index 0000000000..c4193761d1
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED017357.txt
@@ -0,0 +1,146 @@
+ACCESSION: MSBNK-EAWAG-ED017357
+RECORD_TITLE: Portoamide C; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1073/pnas.0914343107
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 173
+CH$NAME: Portoamide C
+CH$NAME: 3-((6R,9S,15S,18R,20aS,25aS,34R,40aS,E)-18-((S)-sec-butyl)-12-ethylidene-37-hydroxy-9-((R)-1-hydroxyethyl)-15-(hydroxymethyl)-6-(4-methoxyphenethyl)-5,8,11,14,17,20,25,30,33,36,40-undecaoxo-38-(2,4,5-trihydroxy-7-methyloctyl)octatriacontahydro-1H,25H-tripyrrolo[1,2-b1:1`,2`-g:1``,2``-j][1,4,7,10,13,16,19,22,25,28,31]undecaazacyclotetratriacontin-34-yl)propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C62H96N12O19
+CH$EXACT_MASS: 1312.691469
+CH$SMILES: O=C([C@@H](CCC(N)=O)NC1=O)NCC(N2[C@@H](CCC2)C(N3[C@@H](CCC3)C(N[C@H]([C@@H](C)CC)C(N[C@@H](CO)C(N/C(C(N[C@@H]([C@@H](C)O)C(N[C@H](CCC4=CC=C(OC)C=C4)C(N5[C@@H](CCC5)C(NC(CC(O)CC(O)C(O)CC(C)C)C1O)=O)=O)=O)=O)=C/C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C62H96N12O19/c1-8-33(5)50-58(88)69-42(31-75)55(85)65-38(9-2)54(84)71-51(34(6)76)59(89)67-40(21-18-35-16-19-37(93-7)20-17-35)61(91)73-25-10-13-43(73)56(86)68-41(28-36(77)29-47(79)46(78)27-32(3)4)52(82)60(90)66-39(22-23-48(63)80)53(83)64-30-49(81)72-24-12-15-45(72)62(92)74-26-11-14-44(74)57(87)70-50/h9,16-17,19-20,32-34,36,39-47,50-52,75-79,82H,8,10-15,18,21-31H2,1-7H3,(H2,63,80)(H,64,83)(H,65,85)(H,66,90)(H,67,89)(H,68,86)(H,69,88)(H,70,87)(H,71,84)/b38-9+/t33-,34+,36?,39+,40+,41?,42-,43-,44-,45-,46?,47?,50+,51-,52?/m0/s1
+CH$LINK: PUBCHEM CID:146683715
+CH$LINK: INCHIKEY ACFCYNJDAMJVRV-SFBMPHMPSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 135-1359
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.112 min
+MS$FOCUSED_ION: BASE_PEAK 1357.6898
+MS$FOCUSED_ION: PRECURSOR_M/Z 1311.6842
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0udi-0920000000-28feaa543a65f238ca1e
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  136.1129 C9H14N- 1 136.1132 -1.75
+  137.0355 C6H5N2O2- 1 137.0357 -1.06
+  137.0716 C7H9N2O- 1 137.072 -3.24
+  138.0555 C7H8NO2- 1 138.0561 -3.77
+  138.0672 C6H8N3O- 1 138.0673 -0.8
+  139.051 C6H7N2O2- 1 139.0513 -1.89
+  139.0871 C7H11N2O- 1 139.0877 -4.04
+  140.035 C6H6NO3- 1 140.0353 -2.22
+  140.0708 C5H8N4O- 1 140.0704 3.38
+  140.0828 C6H10N3O- 1 140.0829 -1.11
+  141.0668 C6H9N2O2- 1 141.067 -1.33
+  143.1189 C7H15N2O- 1 143.119 -0.83
+  147.0559 C8H7N2O- 1 147.0564 -3.37
+  149.0351 C7H5N2O2- 1 149.0357 -3.47
+  149.0714 C8H9N2O- 2 149.072 -4.35
+  151.0148 C6H3N2O3- 1 151.0149 -0.56
+  151.051 C7H7N2O2- 1 151.0513 -1.93
+  152.0827 C7H10N3O- 1 152.0829 -1.23
+  153.0666 C7H9N2O2- 1 153.067 -2.54
+  155.0464 C6H7N2O3- 1 155.0462 1.16
+  155.0821 C7H11N2O2- 1 155.0826 -2.93
+  156.0776 C6H10N3O2- 1 156.0779 -1.89
+  163.0511 C8H7N2O2- 1 163.0513 -1.29
+  165.0663 C8H9N2O2- 2 165.067 -3.78
+  165.1395 C10H17N2- 1 165.1397 -1.3
+  167.0454 C7H7N2O3- 2 167.0462 -4.97
+  167.0819 C6H9N5O- 2 167.0813 3.93
+  168.0776 C7H10N3O2- 1 168.0779 -1.39
+  169.0983 C8H13N2O2- 1 169.0983 0.54
+  170.0928 C5H10N6O- 2 170.0922 3.92
+  176.0457 C6H4N6O- 2 176.0452 3.04
+  178.0614 C8H8N3O2- 2 178.0622 -4.42
+  179.0456 C8H7N2O3- 2 179.0462 -3.28
+  180.0771 C8H10N3O2- 2 180.0779 -3.9
+  181.0613 C6H7N5O2- 2 181.0605 4.05
+  181.134 C10H17N2O- 2 181.1346 -3.71
+  183.1496 C8H17N5- 2 183.1489 3.46
+  195.1132 C10H15N2O2- 2 195.1139 -3.78
+  204.0769 C8H8N6O- 2 204.0765 1.71
+  209.1034 C8H17O6- 3 209.1031 1.49
+  209.1289 C11H17N2O2- 2 209.1296 -2.89
+  210.0872 C7H10N6O2- 1 210.0871 0.74
+  226.1553 C9H18N6O- 2 226.1548 2.39
+  230.0814 C11H10N4O2- 2 230.0809 2.06
+  245.0927 C13H13N2O3- 3 245.0932 -2.07
+  247.1081 C13H15N2O3- 2 247.1088 -3.01
+  250.1185 C10H14N6O2- 2 250.1184 0.67
+  252.1344 C10H16N6O2- 2 252.134 1.36
+  264.0991 C12H14N3O4- 3 264.099 0.44
+  283.1763 C12H27O7- 5 283.1762 0.19
+  291.1087 C12H19O8- 4 291.1085 0.39
+  304.1668 C16H22N3O3- 7 304.1667 0.28
+PK$NUM_PEAK: 52
+PK$PEAK: m/z int. rel.int.
+  136.1129 83130.1 18
+  137.0355 80005.8 17
+  137.0716 136612.5 30
+  138.0555 88502.1 19
+  138.0672 364941.7 81
+  139.051 962336.8 215
+  139.0871 135971.4 30
+  140.035 148385 33
+  140.0708 58051.8 12
+  140.0828 193499.3 43
+  141.0668 233428.8 52
+  143.1189 76730 17
+  147.0559 54494.1 12
+  149.0351 53222.2 11
+  149.0714 95812.2 21
+  151.0148 74825.5 16
+  151.051 246400.7 55
+  152.0827 204200.7 45
+  153.0666 4463199 999
+  155.0464 93817 20
+  155.0821 340342.7 76
+  156.0776 94814.1 21
+  163.0511 335708.5 75
+  165.0663 210682.4 47
+  165.1395 50595.5 11
+  167.0454 248950 55
+  167.0819 115955.5 25
+  168.0776 158745 35
+  169.0983 656959.8 147
+  170.0928 348407.2 77
+  176.0457 67132.3 15
+  178.0614 250263.3 56
+  179.0456 269148.4 60
+  180.0771 49350.6 11
+  181.0613 53062.3 11
+  181.134 393543.4 88
+  183.1496 54606.9 12
+  195.1132 54229.9 12
+  204.0769 54441.9 12
+  209.1034 184550.7 41
+  209.1289 418600.6 93
+  210.0872 254308.9 56
+  226.1553 1798464 402
+  230.0814 60024.1 13
+  245.0927 88822.4 19
+  247.1081 174464.5 39
+  250.1185 72558.8 16
+  252.1344 108942.6 24
+  264.0991 240250.2 53
+  283.1763 120494.7 26
+  291.1087 140990.7 31
+  304.1668 195731.8 43
+//
diff --git a/Eawag/MSBNK-EAWAG-ED017358.txt b/Eawag/MSBNK-EAWAG-ED017358.txt
new file mode 100644
index 0000000000..7eb00b6c00
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED017358.txt
@@ -0,0 +1,128 @@
+ACCESSION: MSBNK-EAWAG-ED017358
+RECORD_TITLE: Portoamide C; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1073/pnas.0914343107
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 173
+CH$NAME: Portoamide C
+CH$NAME: 3-((6R,9S,15S,18R,20aS,25aS,34R,40aS,E)-18-((S)-sec-butyl)-12-ethylidene-37-hydroxy-9-((R)-1-hydroxyethyl)-15-(hydroxymethyl)-6-(4-methoxyphenethyl)-5,8,11,14,17,20,25,30,33,36,40-undecaoxo-38-(2,4,5-trihydroxy-7-methyloctyl)octatriacontahydro-1H,25H-tripyrrolo[1,2-b1:1`,2`-g:1``,2``-j][1,4,7,10,13,16,19,22,25,28,31]undecaazacyclotetratriacontin-34-yl)propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C62H96N12O19
+CH$EXACT_MASS: 1312.691469
+CH$SMILES: O=C([C@@H](CCC(N)=O)NC1=O)NCC(N2[C@@H](CCC2)C(N3[C@@H](CCC3)C(N[C@H]([C@@H](C)CC)C(N[C@@H](CO)C(N/C(C(N[C@@H]([C@@H](C)O)C(N[C@H](CCC4=CC=C(OC)C=C4)C(N5[C@@H](CCC5)C(NC(CC(O)CC(O)C(O)CC(C)C)C1O)=O)=O)=O)=O)=C/C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C62H96N12O19/c1-8-33(5)50-58(88)69-42(31-75)55(85)65-38(9-2)54(84)71-51(34(6)76)59(89)67-40(21-18-35-16-19-37(93-7)20-17-35)61(91)73-25-10-13-43(73)56(86)68-41(28-36(77)29-47(79)46(78)27-32(3)4)52(82)60(90)66-39(22-23-48(63)80)53(83)64-30-49(81)72-24-12-15-45(72)62(92)74-26-11-14-44(74)57(87)70-50/h9,16-17,19-20,32-34,36,39-47,50-52,75-79,82H,8,10-15,18,21-31H2,1-7H3,(H2,63,80)(H,64,83)(H,65,85)(H,66,90)(H,67,89)(H,68,86)(H,69,88)(H,70,87)(H,71,84)/b38-9+/t33-,34+,36?,39+,40+,41?,42-,43-,44-,45-,46?,47?,50+,51-,52?/m0/s1
+CH$LINK: PUBCHEM CID:146683715
+CH$LINK: INCHIKEY ACFCYNJDAMJVRV-SFBMPHMPSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 135-1359
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.112 min
+MS$FOCUSED_ION: BASE_PEAK 1357.6898
+MS$FOCUSED_ION: PRECURSOR_M/Z 1311.6842
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0udi-0910000000-bc6ec0dc60b924eb42fd
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  136.0515 C6H6N3O- 1 136.0516 -0.64
+  136.1131 C9H14N- 1 136.1132 -0.29
+  137.072 C7H9N2O- 1 137.072 -0.35
+  138.0555 C7H8NO2- 1 138.0561 -3.77
+  138.0671 C6H8N3O- 1 138.0673 -1.03
+  139.051 C6H7N2O2- 1 139.0513 -2
+  139.0872 C7H11N2O- 1 139.0877 -3.49
+  140.0351 C6H6NO3- 1 140.0353 -1.89
+  140.0828 C6H10N3O- 1 140.0829 -1.11
+  141.0667 C6H9N2O2- 1 141.067 -1.98
+  143.1187 C7H15N2O- 1 143.119 -2.33
+  151.0509 C7H7N2O2- 1 151.0513 -2.74
+  151.0745 C5H7N6- 2 151.0738 5
+  151.0875 C8H11N2O- 1 151.0877 -1.28
+  152.0593 C7H8N2O2- 1 152.0591 0.92
+  152.0827 C7H10N3O- 1 152.0829 -1.83
+  153.0666 C7H9N2O2- 1 153.067 -2.44
+  155.0822 C7H11N2O2- 1 155.0826 -2.34
+  156.0775 C6H10N3O2- 1 156.0779 -2.47
+  163.0378 C5H3N6O- 1 163.0374 2.47
+  163.0517 C8H7N2O2- 1 163.0513 2.17
+  165.0664 C8H9N2O2- 2 165.067 -3.5
+  166.062 C7H8N3O2- 1 166.0622 -0.94
+  167.0458 C7H7N2O3- 1 167.0462 -2.23
+  169.0984 C8H13N2O2- 1 169.0983 0.99
+  170.0925 C5H10N6O- 1 170.0922 2.13
+  171.1136 C8H15N2O2- 1 171.1139 -1.77
+  178.0617 C8H8N3O2- 1 178.0622 -2.53
+  181.1339 C10H17N2O- 2 181.1346 -4.22
+  183.1496 C8H17N5- 2 183.1489 3.55
+  186.0917 C12H12NO- 2 186.0924 -3.7
+  186.1239 C6H14N6O- 2 186.1235 2.62
+  192.0774 C9H10N3O2- 2 192.0779 -2.43
+  207.1134 C11H15N2O2- 2 207.1139 -2.65
+  208.1449 C11H18N3O- 2 208.1455 -3.09
+  209.1035 C8H17O6- 3 209.1031 2
+  209.129 C11H17N2O2- 2 209.1296 -2.46
+  210.0873 C7H10N6O2- 1 210.0871 1.03
+  226.1553 C9H18N6O- 2 226.1548 2.39
+  240.171 C10H20N6O- 2 240.1704 2.58
+  252.1346 C10H16N6O2- 2 252.134 2.15
+  264.0989 C12H14N3O4- 2 264.099 -0.37
+  265.1661 C12H25O6- 3 265.1657 1.47
+PK$NUM_PEAK: 43
+PK$PEAK: m/z int. rel.int.
+  136.0515 41403 12
+  136.1131 59388.6 17
+  137.072 99174.6 29
+  138.0555 88093.9 26
+  138.0671 263970.6 78
+  139.051 641149.1 191
+  139.0872 117890.7 35
+  140.0351 81764.6 24
+  140.0828 81045.8 24
+  141.0667 131310 39
+  143.1187 62112.6 18
+  151.0509 156135.2 46
+  151.0745 42615.5 12
+  151.0875 85129.8 25
+  152.0593 76339.9 22
+  152.0827 151620 45
+  153.0666 3352044.8 999
+  155.0822 169115.2 50
+  156.0775 43428.6 12
+  163.0378 34637.9 10
+  163.0517 218667.3 65
+  165.0664 164257.5 48
+  166.062 64357.4 19
+  167.0458 82345.5 24
+  169.0984 293739.9 87
+  170.0925 157842.2 47
+  171.1136 40625 12
+  178.0617 156178.4 46
+  181.1339 294660.2 87
+  183.1496 39518.8 11
+  186.0917 42111.5 12
+  186.1239 42907.2 12
+  192.0774 40074.8 11
+  207.1134 36214.9 10
+  208.1449 143768.7 42
+  209.1035 88428.8 26
+  209.129 181574.6 54
+  210.0873 234786.8 69
+  226.1553 550479.4 164
+  240.171 43566.8 12
+  252.1346 46111.1 13
+  264.0989 82538.8 24
+  265.1661 48787.8 14
+//
diff --git a/Eawag/MSBNK-EAWAG-ED017359.txt b/Eawag/MSBNK-EAWAG-ED017359.txt
new file mode 100644
index 0000000000..c55fa84181
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED017359.txt
@@ -0,0 +1,102 @@
+ACCESSION: MSBNK-EAWAG-ED017359
+RECORD_TITLE: Portoamide C; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1073/pnas.0914343107
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 173
+CH$NAME: Portoamide C
+CH$NAME: 3-((6R,9S,15S,18R,20aS,25aS,34R,40aS,E)-18-((S)-sec-butyl)-12-ethylidene-37-hydroxy-9-((R)-1-hydroxyethyl)-15-(hydroxymethyl)-6-(4-methoxyphenethyl)-5,8,11,14,17,20,25,30,33,36,40-undecaoxo-38-(2,4,5-trihydroxy-7-methyloctyl)octatriacontahydro-1H,25H-tripyrrolo[1,2-b1:1`,2`-g:1``,2``-j][1,4,7,10,13,16,19,22,25,28,31]undecaazacyclotetratriacontin-34-yl)propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C62H96N12O19
+CH$EXACT_MASS: 1312.691469
+CH$SMILES: O=C([C@@H](CCC(N)=O)NC1=O)NCC(N2[C@@H](CCC2)C(N3[C@@H](CCC3)C(N[C@H]([C@@H](C)CC)C(N[C@@H](CO)C(N/C(C(N[C@@H]([C@@H](C)O)C(N[C@H](CCC4=CC=C(OC)C=C4)C(N5[C@@H](CCC5)C(NC(CC(O)CC(O)C(O)CC(C)C)C1O)=O)=O)=O)=O)=C/C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C62H96N12O19/c1-8-33(5)50-58(88)69-42(31-75)55(85)65-38(9-2)54(84)71-51(34(6)76)59(89)67-40(21-18-35-16-19-37(93-7)20-17-35)61(91)73-25-10-13-43(73)56(86)68-41(28-36(77)29-47(79)46(78)27-32(3)4)52(82)60(90)66-39(22-23-48(63)80)53(83)64-30-49(81)72-24-12-15-45(72)62(92)74-26-11-14-44(74)57(87)70-50/h9,16-17,19-20,32-34,36,39-47,50-52,75-79,82H,8,10-15,18,21-31H2,1-7H3,(H2,63,80)(H,64,83)(H,65,85)(H,66,90)(H,67,89)(H,68,86)(H,69,88)(H,70,87)(H,71,84)/b38-9+/t33-,34+,36?,39+,40+,41?,42-,43-,44-,45-,46?,47?,50+,51-,52?/m0/s1
+CH$LINK: PUBCHEM CID:146683715
+CH$LINK: INCHIKEY ACFCYNJDAMJVRV-SFBMPHMPSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 135-1359
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.112 min
+MS$FOCUSED_ION: BASE_PEAK 1357.6898
+MS$FOCUSED_ION: PRECURSOR_M/Z 1311.6842
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0udi-0900000000-3571329311d878f6f836
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  136.0515 C6H6N3O- 1 136.0516 -0.64
+  136.1131 C9H14N- 1 136.1132 -0.18
+  137.0353 C6H5N2O2- 1 137.0357 -2.51
+  137.0715 C7H9N2O- 1 137.072 -3.8
+  138.0554 C7H8NO2- 2 138.0561 -4.76
+  138.0672 C6H8N3O- 1 138.0673 -0.36
+  139.051 C6H7N2O2- 1 139.0513 -2.11
+  139.0877 C7H11N2O- 1 139.0877 0.35
+  140.035 C6H6NO3- 1 140.0353 -2.22
+  140.0825 C6H10N3O- 1 140.0829 -3.07
+  143.1185 C7H15N2O- 1 143.119 -3.07
+  146.0608 C9H8NO- 1 146.0611 -2.54
+  147.056 C8H7N2O- 1 147.0564 -2.54
+  149.072 C8H9N2O- 1 149.072 0.05
+  151.0508 C7H7N2O2- 1 151.0513 -3.04
+  151.0742 C5H7N6- 1 151.0738 2.78
+  152.0828 C7H10N3O- 1 152.0829 -0.62
+  153.0666 C7H9N2O2- 1 153.067 -2.44
+  155.0821 C7H11N2O2- 1 155.0826 -3.23
+  163.0374 C5H3N6O- 1 163.0374 0.22
+  165.0664 C8H9N2O2- 2 165.067 -3.41
+  167.0459 C7H7N2O3- 1 167.0462 -2.05
+  167.0819 C6H9N5O- 2 167.0813 3.83
+  169.0987 C8H13N2O2- 1 169.0983 2.89
+  171.1135 C8H15N2O2- 1 171.1139 -2.13
+  178.062 C8H8N3O2- 1 178.0622 -1.16
+  179.0457 C8H7N2O3- 2 179.0462 -2.77
+  181.1341 C10H17N2O- 2 181.1346 -3.12
+  209.1291 C11H17N2O2- 2 209.1296 -2.09
+  210.0879 C7H10N6O2- 2 210.0871 4.01
+PK$NUM_PEAK: 30
+PK$PEAK: m/z int. rel.int.
+  136.0515 37502.2 16
+  136.1131 24806.3 11
+  137.0353 44791.6 19
+  137.0715 78413.2 34
+  138.0554 79048.3 35
+  138.0672 160057.7 71
+  139.051 373926.2 166
+  139.0877 81669.6 36
+  140.035 33760.9 14
+  140.0825 36116.1 16
+  143.1185 41037.1 18
+  146.0608 75639 33
+  147.056 25002.1 11
+  149.072 60182 26
+  151.0508 114302.9 50
+  151.0742 60744.7 26
+  152.0828 140871.4 62
+  153.0666 2249311.2 999
+  155.0821 79167.5 35
+  163.0374 39938.5 17
+  165.0664 149502.6 66
+  167.0459 27822.2 12
+  167.0819 37503.2 16
+  169.0987 110779.9 49
+  171.1135 30397 13
+  178.062 73440.2 32
+  179.0457 120100 53
+  181.1341 163351.8 72
+  209.1291 56635.1 25
+  210.0879 125220.8 55
+//
diff --git a/Eawag/MSBNK-EAWAG-ED017401.txt b/Eawag/MSBNK-EAWAG-ED017401.txt
new file mode 100644
index 0000000000..dc30aad6e9
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED017401.txt
@@ -0,0 +1,52 @@
+ACCESSION: MSBNK-EAWAG-ED017401
+RECORD_TITLE: Portoamide D; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1073/pnas.0914343107
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 174
+CH$NAME: Portoamide D
+CH$NAME: 3-((6R,9S,15S,18R,20aS,25aS,34R,40aS,E)-18-((S)-sec-butyl)-12-ethylidene-37-hydroxy-9-((R)-1-hydroxyethyl)-15-(hydroxymethyl)-5,8,11,14,17,20,25,30,33,36,40-undecaoxo-6-phenethyl-38-(2,4,5-trihydroxy-7-methyloctyl)octatriacontahydro-1H,25H-tripyrrolo[1,2-b1:1`,2`-g:1``,2``-j][1,4,7,10,13,16,19,22,25,28,31]undecaazacyclotetratriacontin-34-yl)propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C61H94N12O18
+CH$EXACT_MASS: 1282.680904
+CH$SMILES: O=C([C@@H](CCC(N)=O)NC1=O)NCC(N2[C@@H](CCC2)C(N3[C@@H](CCC3)C(N[C@H]([C@@H](C)CC)C(N[C@@H](CO)C(N/C(C(N[C@@H]([C@@H](C)O)C(N[C@H](CCC4=CC=CC=C4)C(N5[C@@H](CCC5)C(NC(CC(O)CC(O)C(O)CC(C)C)C1O)=O)=O)=O)=O)=C/C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C61H94N12O18/c1-7-33(5)49-57(87)68-41(31-74)54(84)64-37(8-2)53(83)70-50(34(6)75)58(88)66-39(21-20-35-15-10-9-11-16-35)60(90)72-25-12-17-42(72)55(85)67-40(28-36(76)29-46(78)45(77)27-32(3)4)51(81)59(89)65-38(22-23-47(62)79)52(82)63-30-48(80)71-24-14-19-44(71)61(91)73-26-13-18-43(73)56(86)69-49/h8-11,15-16,32-34,36,38-46,49-51,74-78,81H,7,12-14,17-31H2,1-6H3,(H2,62,79)(H,63,82)(H,64,84)(H,65,89)(H,66,88)(H,67,85)(H,68,87)(H,69,86)(H,70,83)/b37-8+/t33-,34+,36?,38+,39+,40?,41-,42-,43-,44-,45?,46?,49+,50-,51?/m0/s1
+CH$LINK: PUBCHEM CID:146683716
+CH$LINK: INCHIKEY OCPKVHKLLYWOOG-FIAGRJNLSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 132-1330
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.727 min
+MS$FOCUSED_ION: BASE_PEAK 642.3469
+MS$FOCUSED_ION: PRECURSOR_M/Z 1283.6882
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-001i-0090000000-79401ad097fc364fde88
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  1247.6654 C61H91N12O16+ 1 1247.6671 -1.3
+  1248.6466 C61H90N11O17+ 1 1248.6511 -3.55
+  1265.6764 C61H93N12O17+ 1 1265.6776 -0.94
+  1266.6632 C61H92N11O18+ 1 1266.6616 1.27
+  1283.6863 C61H95N12O18+ 1 1283.6882 -1.44
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  1247.6654 1732723.4 15
+  1248.6466 1807774.1 16
+  1265.6764 21501306 197
+  1266.6632 4247726.5 38
+  1283.6863 108947776 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED017402.txt b/Eawag/MSBNK-EAWAG-ED017402.txt
new file mode 100644
index 0000000000..ab93fc2c2c
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED017402.txt
@@ -0,0 +1,60 @@
+ACCESSION: MSBNK-EAWAG-ED017402
+RECORD_TITLE: Portoamide D; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1073/pnas.0914343107
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 174
+CH$NAME: Portoamide D
+CH$NAME: 3-((6R,9S,15S,18R,20aS,25aS,34R,40aS,E)-18-((S)-sec-butyl)-12-ethylidene-37-hydroxy-9-((R)-1-hydroxyethyl)-15-(hydroxymethyl)-5,8,11,14,17,20,25,30,33,36,40-undecaoxo-6-phenethyl-38-(2,4,5-trihydroxy-7-methyloctyl)octatriacontahydro-1H,25H-tripyrrolo[1,2-b1:1`,2`-g:1``,2``-j][1,4,7,10,13,16,19,22,25,28,31]undecaazacyclotetratriacontin-34-yl)propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C61H94N12O18
+CH$EXACT_MASS: 1282.680904
+CH$SMILES: O=C([C@@H](CCC(N)=O)NC1=O)NCC(N2[C@@H](CCC2)C(N3[C@@H](CCC3)C(N[C@H]([C@@H](C)CC)C(N[C@@H](CO)C(N/C(C(N[C@@H]([C@@H](C)O)C(N[C@H](CCC4=CC=CC=C4)C(N5[C@@H](CCC5)C(NC(CC(O)CC(O)C(O)CC(C)C)C1O)=O)=O)=O)=O)=C/C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C61H94N12O18/c1-7-33(5)49-57(87)68-41(31-74)54(84)64-37(8-2)53(83)70-50(34(6)75)58(88)66-39(21-20-35-15-10-9-11-16-35)60(90)72-25-12-17-42(72)55(85)67-40(28-36(76)29-46(78)45(77)27-32(3)4)51(81)59(89)65-38(22-23-47(62)79)52(82)63-30-48(80)71-24-14-19-44(71)61(91)73-26-13-18-43(73)56(86)69-49/h8-11,15-16,32-34,36,38-46,49-51,74-78,81H,7,12-14,17-31H2,1-6H3,(H2,62,79)(H,63,82)(H,64,84)(H,65,89)(H,66,88)(H,67,85)(H,68,87)(H,69,86)(H,70,83)/b37-8+/t33-,34+,36?,38+,39+,40?,41-,42-,43-,44-,45?,46?,49+,50-,51?/m0/s1
+CH$LINK: PUBCHEM CID:146683716
+CH$LINK: INCHIKEY OCPKVHKLLYWOOG-FIAGRJNLSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 132-1330
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.727 min
+MS$FOCUSED_ION: BASE_PEAK 642.3469
+MS$FOCUSED_ION: PRECURSOR_M/Z 1283.6882
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-001i-0090000000-278434f10820e4b33c0c
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  487.2757 C7H45N5O18+ 14 487.2754 0.64
+  1021.5561 C61H75N5O9+ 16 1021.5559 0.19
+  1229.6603 C61H89N12O15+ 2 1229.6565 3.1
+  1247.6658 C61H91N12O16+ 1 1247.6671 -1
+  1248.6493 C61H90N11O17+ 1 1248.6511 -1.4
+  1255.6953 C60H95N12O17+ 1 1255.6933 1.65
+  1265.6757 C61H93N12O17+ 1 1265.6776 -1.52
+  1266.6652 C61H92N11O18+ 1 1266.6616 2.82
+  1283.6862 C61H95N12O18+ 1 1283.6882 -1.54
+PK$NUM_PEAK: 9
+PK$PEAK: m/z int. rel.int.
+  487.2757 742591.5 11
+  1021.5561 1062285.2 16
+  1229.6603 845327.3 12
+  1247.6658 4856265.5 74
+  1248.6493 3710429.8 56
+  1255.6953 900611.7 13
+  1265.6757 26122054 398
+  1266.6652 5088815.5 77
+  1283.6862 65475780 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED017403.txt b/Eawag/MSBNK-EAWAG-ED017403.txt
new file mode 100644
index 0000000000..671c7a7e6b
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED017403.txt
@@ -0,0 +1,84 @@
+ACCESSION: MSBNK-EAWAG-ED017403
+RECORD_TITLE: Portoamide D; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1073/pnas.0914343107
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 174
+CH$NAME: Portoamide D
+CH$NAME: 3-((6R,9S,15S,18R,20aS,25aS,34R,40aS,E)-18-((S)-sec-butyl)-12-ethylidene-37-hydroxy-9-((R)-1-hydroxyethyl)-15-(hydroxymethyl)-5,8,11,14,17,20,25,30,33,36,40-undecaoxo-6-phenethyl-38-(2,4,5-trihydroxy-7-methyloctyl)octatriacontahydro-1H,25H-tripyrrolo[1,2-b1:1`,2`-g:1``,2``-j][1,4,7,10,13,16,19,22,25,28,31]undecaazacyclotetratriacontin-34-yl)propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C61H94N12O18
+CH$EXACT_MASS: 1282.680904
+CH$SMILES: O=C([C@@H](CCC(N)=O)NC1=O)NCC(N2[C@@H](CCC2)C(N3[C@@H](CCC3)C(N[C@H]([C@@H](C)CC)C(N[C@@H](CO)C(N/C(C(N[C@@H]([C@@H](C)O)C(N[C@H](CCC4=CC=CC=C4)C(N5[C@@H](CCC5)C(NC(CC(O)CC(O)C(O)CC(C)C)C1O)=O)=O)=O)=O)=C/C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C61H94N12O18/c1-7-33(5)49-57(87)68-41(31-74)54(84)64-37(8-2)53(83)70-50(34(6)75)58(88)66-39(21-20-35-15-10-9-11-16-35)60(90)72-25-12-17-42(72)55(85)67-40(28-36(76)29-46(78)45(77)27-32(3)4)51(81)59(89)65-38(22-23-47(62)79)52(82)63-30-48(80)71-24-14-19-44(71)61(91)73-26-13-18-43(73)56(86)69-49/h8-11,15-16,32-34,36,38-46,49-51,74-78,81H,7,12-14,17-31H2,1-6H3,(H2,62,79)(H,63,82)(H,64,84)(H,65,89)(H,66,88)(H,67,85)(H,68,87)(H,69,86)(H,70,83)/b37-8+/t33-,34+,36?,38+,39+,40?,41-,42-,43-,44-,45?,46?,49+,50-,51?/m0/s1
+CH$LINK: PUBCHEM CID:146683716
+CH$LINK: INCHIKEY OCPKVHKLLYWOOG-FIAGRJNLSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 132-1330
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.727 min
+MS$FOCUSED_ION: BASE_PEAK 642.3469
+MS$FOCUSED_ION: PRECURSOR_M/Z 1283.6882
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00lr-0090000000-6cae5b5c8012b33a1fb7
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  308.1965 C16H26N3O3+ 6 308.1969 -1.32
+  313.2115 CH35N3O14+ 6 313.2114 0.45
+  358.233 C2H38N4O15+ 8 358.2328 0.49
+  365.2176 C18H29N4O4+ 9 365.2183 -1.91
+  377.2178 C4H35N5O14+ 11 377.2175 0.89
+  460.2553 C22H28N12+ 12 460.2554 -0.21
+  478.2657 C37H34+ 15 478.2655 0.36
+  526.2879 C38H38O2+ 14 526.2866 2.42
+  544.2973 C38H40O3+ 14 544.2972 0.14
+  579.3139 C30H41N7O5+ 15 579.3164 -4.29
+  623.3413 C43H45NO3+ 15 623.3394 3.07
+  833.4765 C37H67N7O14+ 21 833.4741 2.91
+  921.5021 C54H65N8O6+ 19 921.5022 -0.12
+  1229.6537 C61H89N12O15+ 2 1229.6565 -2.26
+  1230.638 C61H88N11O16+ 1 1230.6405 -2.07
+  1237.6817 C60H93N12O16+ 1 1237.6827 -0.84
+  1247.6667 C61H91N12O16+ 1 1247.6671 -0.32
+  1248.6527 C61H90N11O17+ 1 1248.6511 1.34
+  1255.6936 C60H95N12O17+ 1 1255.6933 0.29
+  1265.6764 C61H93N12O17+ 1 1265.6776 -0.94
+  1283.6875 C61H95N12O18+ 1 1283.6882 -0.49
+PK$NUM_PEAK: 21
+PK$PEAK: m/z int. rel.int.
+  308.1965 468211.7 23
+  313.2115 432225.4 21
+  358.233 233244.3 11
+  365.2176 325651 16
+  377.2178 856699.7 42
+  460.2553 454637 22
+  478.2657 1854248.9 91
+  526.2879 673263.2 33
+  544.2973 600463.8 29
+  579.3139 254693.2 12
+  623.3413 452684.3 22
+  833.4765 1468184.9 72
+  921.5021 216658.7 10
+  1229.6537 1083239.5 53
+  1230.638 980175.5 48
+  1237.6817 1488613.6 73
+  1247.6667 4636083.5 229
+  1248.6527 2133590.8 105
+  1255.6936 2388203.2 118
+  1265.6764 14274117 706
+  1283.6875 20169890 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED017404.txt b/Eawag/MSBNK-EAWAG-ED017404.txt
new file mode 100644
index 0000000000..cfc1e44e7a
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED017404.txt
@@ -0,0 +1,108 @@
+ACCESSION: MSBNK-EAWAG-ED017404
+RECORD_TITLE: Portoamide D; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1073/pnas.0914343107
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 174
+CH$NAME: Portoamide D
+CH$NAME: 3-((6R,9S,15S,18R,20aS,25aS,34R,40aS,E)-18-((S)-sec-butyl)-12-ethylidene-37-hydroxy-9-((R)-1-hydroxyethyl)-15-(hydroxymethyl)-5,8,11,14,17,20,25,30,33,36,40-undecaoxo-6-phenethyl-38-(2,4,5-trihydroxy-7-methyloctyl)octatriacontahydro-1H,25H-tripyrrolo[1,2-b1:1`,2`-g:1``,2``-j][1,4,7,10,13,16,19,22,25,28,31]undecaazacyclotetratriacontin-34-yl)propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C61H94N12O18
+CH$EXACT_MASS: 1282.680904
+CH$SMILES: O=C([C@@H](CCC(N)=O)NC1=O)NCC(N2[C@@H](CCC2)C(N3[C@@H](CCC3)C(N[C@H]([C@@H](C)CC)C(N[C@@H](CO)C(N/C(C(N[C@@H]([C@@H](C)O)C(N[C@H](CCC4=CC=CC=C4)C(N5[C@@H](CCC5)C(NC(CC(O)CC(O)C(O)CC(C)C)C1O)=O)=O)=O)=O)=C/C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C61H94N12O18/c1-7-33(5)49-57(87)68-41(31-74)54(84)64-37(8-2)53(83)70-50(34(6)75)58(88)66-39(21-20-35-15-10-9-11-16-35)60(90)72-25-12-17-42(72)55(85)67-40(28-36(76)29-46(78)45(77)27-32(3)4)51(81)59(89)65-38(22-23-47(62)79)52(82)63-30-48(80)71-24-14-19-44(71)61(91)73-26-13-18-43(73)56(86)69-49/h8-11,15-16,32-34,36,38-46,49-51,74-78,81H,7,12-14,17-31H2,1-6H3,(H2,62,79)(H,63,82)(H,64,84)(H,65,89)(H,66,88)(H,67,85)(H,68,87)(H,69,86)(H,70,83)/b37-8+/t33-,34+,36?,38+,39+,40?,41-,42-,43-,44-,45?,46?,49+,50-,51?/m0/s1
+CH$LINK: PUBCHEM CID:146683716
+CH$LINK: INCHIKEY OCPKVHKLLYWOOG-FIAGRJNLSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 132-1330
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.727 min
+MS$FOCUSED_ION: BASE_PEAK 642.3469
+MS$FOCUSED_ION: PRECURSOR_M/Z 1283.6882
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00ps-2189730010-bc3e7525bae4be05d8e9
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  134.096 C9H12N+ 1 134.0964 -3.32
+  155.0813 C7H11N2O2+ 1 155.0815 -1.25
+  167.1178 C9H15N2O+ 1 167.1179 -0.46
+  183.1484 C10H19N2O+ 2 183.1492 -4.12
+  195.112 C10H15N2O2+ 2 195.1128 -3.99
+  212.1384 C10H18N3O2+ 2 212.1394 -4.27
+  226.143 C10H18N4O2+ 2 226.1424 2.45
+  235.143 C11H17N5O+ 2 235.1428 1.04
+  252.1328 C10H16N6O2+ 3 252.1329 -0.42
+  254.1119 C9H14N6O3+ 3 254.1122 -1.03
+  263.1378 C12H17N5O2+ 2 263.1377 0.29
+  266.1121 C10H14N6O3+ 3 266.1122 -0.23
+  280.1643 C12H20N6O2+ 4 280.1642 0.21
+  298.1757 C14H24N3O4+ 4 298.1761 -1.54
+  313.2115 CH35N3O14+ 6 313.2114 0.35
+  328.1653 C20H24O4+ 7 328.1669 -4.8
+  358.2328 C2H38N4O15+ 8 358.2328 0.07
+  365.2182 C18H29N4O4+ 9 365.2183 -0.49
+  377.2179 C4H35N5O14+ 11 377.2175 0.97
+  381.2125 C3H35N5O15+ 9 381.2124 0.23
+  395.2284 C4H37N5O15+ 11 395.2281 0.79
+  448.2552 C21H28N12+ 12 448.2554 -0.6
+  478.2657 C37H34+ 13 478.2655 0.48
+  487.2758 C7H45N5O18+ 14 487.2754 0.83
+  526.2868 C38H38O2+ 14 526.2866 0.33
+  544.2968 C38H40O3+ 14 544.2972 -0.75
+  561.302 C12H47N7O17+ 14 561.3023 -0.56
+  623.3397 C43H45NO3+ 17 623.3394 0.52
+  833.4751 C37H67N7O14+ 21 833.4741 1.3
+  1021.5559 C61H75N5O9+ 16 1021.5559 0.01
+  1255.6924 C60H95N12O17+ 1 1255.6933 -0.68
+  1265.6766 C61H93N12O17+ 1 1265.6776 -0.84
+  1283.6841 C61H95N12O18+ 1 1283.6882 -3.16
+PK$NUM_PEAK: 33
+PK$PEAK: m/z int. rel.int.
+  134.096 261275.1 78
+  155.0813 492924.1 148
+  167.1178 143676.8 43
+  183.1484 294786.2 88
+  195.112 146402.5 44
+  212.1384 198635.4 59
+  226.143 67050 20
+  235.143 178342.7 53
+  252.1328 522190.7 157
+  254.1119 197825.2 59
+  263.1378 317160.2 95
+  266.1121 259122 78
+  280.1643 187863.2 56
+  298.1757 474901.7 142
+  313.2115 1965030.2 591
+  328.1653 264270.5 79
+  358.2328 742925.1 223
+  365.2182 670274.2 201
+  377.2179 1067251.8 321
+  381.2125 394849.5 118
+  395.2284 2812748.8 846
+  448.2552 656402.1 197
+  478.2657 2985141.2 898
+  487.2758 3318459.2 999
+  526.2868 1096558 330
+  544.2968 877555.8 264
+  561.302 703414.1 211
+  623.3397 815361.1 245
+  833.4751 1388342.1 417
+  1021.5559 1895079 570
+  1255.6924 1548897.2 466
+  1265.6766 2089521.5 629
+  1283.6841 1816779.9 546
+//
diff --git a/Eawag/MSBNK-EAWAG-ED017405.txt b/Eawag/MSBNK-EAWAG-ED017405.txt
new file mode 100644
index 0000000000..7e3a2da7e2
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED017405.txt
@@ -0,0 +1,146 @@
+ACCESSION: MSBNK-EAWAG-ED017405
+RECORD_TITLE: Portoamide D; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1073/pnas.0914343107
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 174
+CH$NAME: Portoamide D
+CH$NAME: 3-((6R,9S,15S,18R,20aS,25aS,34R,40aS,E)-18-((S)-sec-butyl)-12-ethylidene-37-hydroxy-9-((R)-1-hydroxyethyl)-15-(hydroxymethyl)-5,8,11,14,17,20,25,30,33,36,40-undecaoxo-6-phenethyl-38-(2,4,5-trihydroxy-7-methyloctyl)octatriacontahydro-1H,25H-tripyrrolo[1,2-b1:1`,2`-g:1``,2``-j][1,4,7,10,13,16,19,22,25,28,31]undecaazacyclotetratriacontin-34-yl)propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C61H94N12O18
+CH$EXACT_MASS: 1282.680904
+CH$SMILES: O=C([C@@H](CCC(N)=O)NC1=O)NCC(N2[C@@H](CCC2)C(N3[C@@H](CCC3)C(N[C@H]([C@@H](C)CC)C(N[C@@H](CO)C(N/C(C(N[C@@H]([C@@H](C)O)C(N[C@H](CCC4=CC=CC=C4)C(N5[C@@H](CCC5)C(NC(CC(O)CC(O)C(O)CC(C)C)C1O)=O)=O)=O)=O)=C/C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C61H94N12O18/c1-7-33(5)49-57(87)68-41(31-74)54(84)64-37(8-2)53(83)70-50(34(6)75)58(88)66-39(21-20-35-15-10-9-11-16-35)60(90)72-25-12-17-42(72)55(85)67-40(28-36(76)29-46(78)45(77)27-32(3)4)51(81)59(89)65-38(22-23-47(62)79)52(82)63-30-48(80)71-24-14-19-44(71)61(91)73-26-13-18-43(73)56(86)69-49/h8-11,15-16,32-34,36,38-46,49-51,74-78,81H,7,12-14,17-31H2,1-6H3,(H2,62,79)(H,63,82)(H,64,84)(H,65,89)(H,66,88)(H,67,85)(H,68,87)(H,69,86)(H,70,83)/b37-8+/t33-,34+,36?,38+,39+,40?,41-,42-,43-,44-,45?,46?,49+,50-,51?/m0/s1
+CH$LINK: PUBCHEM CID:146683716
+CH$LINK: INCHIKEY OCPKVHKLLYWOOG-FIAGRJNLSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 132-1330
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.727 min
+MS$FOCUSED_ION: BASE_PEAK 642.3469
+MS$FOCUSED_ION: PRECURSOR_M/Z 1283.6882
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03e9-0895000000-30dd0908cd5b9786822e
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  134.0963 C9H12N+ 1 134.0964 -0.81
+  150.1276 C10H16N+ 1 150.1277 -0.91
+  151.1114 C10H15O+ 1 151.1117 -2.07
+  155.0813 C7H11N2O2+ 1 155.0815 -1.15
+  157.0974 C7H13N2O2+ 1 157.0972 1.43
+  163.1118 C11H15O+ 1 163.1117 0.15
+  167.0816 C8H11N2O2+ 1 167.0815 0.78
+  167.118 C9H15N2O+ 1 167.1179 0.45
+  169.1217 C10H17O2+ 2 169.1223 -3.61
+  171.0761 C7H11N2O3+ 1 171.0764 -1.91
+  180.1382 C11H18NO+ 1 180.1383 -0.31
+  183.1489 C10H19N2O+ 1 183.1492 -1.7
+  185.0914 C8H13N2O3+ 2 185.0921 -3.71
+  186.0872 C7H12N3O3+ 1 186.0873 -0.75
+  186.1276 C13H16N+ 1 186.1277 -0.69
+  186.1487 C10H20NO2+ 1 186.1489 -0.59
+  187.071 C7H11N2O4+ 1 187.0713 -1.57
+  190.1228 C12H16NO+ 1 190.1226 0.62
+  191.1067 C12H15O2+ 1 191.1067 0.06
+  195.1124 C10H15N2O2+ 2 195.1128 -2.27
+  201.1227 C9H17N2O3+ 2 201.1234 -3.21
+  211.1437 C11H19N2O2+ 2 211.1441 -2.11
+  212.1384 C10H18N3O2+ 2 212.1394 -4.27
+  214.0818 C8H12N3O4+ 2 214.0822 -1.92
+  216.1589 C11H22NO3+ 2 216.1594 -2.3
+  223.1429 C10H17N5O+ 1 223.1428 0.69
+  231.1487 C12H17N5+ 4 231.1478 3.77
+  235.143 C11H17N5O+ 2 235.1428 1.04
+  244.1532 C12H22NO4+ 2 244.1543 -4.81
+  245.1276 C12H15N5O+ 2 245.1271 1.8
+  252.1337 C10H16N6O2+ 2 252.1329 2.97
+  253.1537 C13H21N2O3+ 2 253.1547 -3.74
+  254.1122 C9H14N6O3+ 1 254.1122 0.17
+  259.143 C13H17N5O+ 3 259.1428 0.9
+  261.1798 C10H23N5O3+ 2 261.1795 1.12
+  262.1634 C10H22N4O4+ 3 262.1636 -0.77
+  266.113 C10H14N6O3+ 2 266.1122 2.87
+  280.1645 C12H20N6O2+ 2 280.1642 0.97
+  280.2016 C15H26N3O2+ 5 280.202 -1.13
+  283.14 C12H19N4O4+ 4 283.1401 -0.27
+  295.2015 C16H27N2O3+ 6 295.2016 -0.47
+  298.1755 C14H24N3O4+ 4 298.1761 -2.05
+  313.2115 CH35N3O14+ 6 313.2114 0.55
+  319.1639 C17H23N2O4+ 7 319.1652 -4.04
+  346.1763 C18H24N3O4+ 10 346.1761 0.41
+  354.2021 C16H22N10+ 9 354.2023 -0.78
+  367.235 C5H39N2O15+ 7 367.2345 1.38
+  394.197 C4H34N4O16+ 10 394.1964 1.37
+  395.2281 C4H37N5O15+ 11 395.2281 0.17
+  448.2553 C21H28N12+ 12 448.2554 -0.26
+  460.2551 C22H28N12+ 12 460.2554 -0.74
+  526.2883 C38H38O2+ 13 526.2866 3.23
+PK$NUM_PEAK: 52
+PK$PEAK: m/z int. rel.int.
+  134.0963 1066680.4 259
+  150.1276 208624.3 50
+  151.1114 102925.6 25
+  155.0813 2005303.1 487
+  157.0974 115605.2 28
+  163.1118 165884.9 40
+  167.0816 125363.9 30
+  167.118 630048.8 153
+  169.1217 57876.6 14
+  171.0761 167812.5 40
+  180.1382 76058.9 18
+  183.1489 2473444 601
+  185.0914 228197.6 55
+  186.0872 128566 31
+  186.1276 942447.9 229
+  186.1487 586981.3 142
+  187.071 196885.3 47
+  190.1228 213140.8 51
+  191.1067 179418 43
+  195.1124 673807.9 163
+  201.1227 283643.3 69
+  211.1437 1436557.6 349
+  212.1384 314480.1 76
+  214.0818 78795.6 19
+  216.1589 1019473.2 248
+  223.1429 64718.9 15
+  231.1487 205662.4 50
+  235.143 751125 182
+  244.1532 263219.9 64
+  245.1276 107959.1 26
+  252.1337 1040080.7 253
+  253.1537 85201.1 20
+  254.1122 267424.3 65
+  259.143 87408.9 21
+  261.1798 451965.7 109
+  262.1634 410756.9 99
+  266.113 831208.9 202
+  280.1645 416133.8 101
+  280.2016 818622.8 199
+  283.14 233177.8 56
+  295.2015 745228.1 181
+  298.1755 1019098.6 247
+  313.2115 4105732.8 999
+  319.1639 125635.2 30
+  346.1763 214645.7 52
+  354.2021 168264.4 40
+  367.235 453249.4 110
+  394.197 168315.7 40
+  395.2281 1347769.4 327
+  448.2553 339994 82
+  460.2551 784091.6 190
+  526.2883 336980.2 81
+//
diff --git a/Eawag/MSBNK-EAWAG-ED017406.txt b/Eawag/MSBNK-EAWAG-ED017406.txt
new file mode 100644
index 0000000000..46880c18f9
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED017406.txt
@@ -0,0 +1,148 @@
+ACCESSION: MSBNK-EAWAG-ED017406
+RECORD_TITLE: Portoamide D; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1073/pnas.0914343107
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 174
+CH$NAME: Portoamide D
+CH$NAME: 3-((6R,9S,15S,18R,20aS,25aS,34R,40aS,E)-18-((S)-sec-butyl)-12-ethylidene-37-hydroxy-9-((R)-1-hydroxyethyl)-15-(hydroxymethyl)-5,8,11,14,17,20,25,30,33,36,40-undecaoxo-6-phenethyl-38-(2,4,5-trihydroxy-7-methyloctyl)octatriacontahydro-1H,25H-tripyrrolo[1,2-b1:1`,2`-g:1``,2``-j][1,4,7,10,13,16,19,22,25,28,31]undecaazacyclotetratriacontin-34-yl)propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C61H94N12O18
+CH$EXACT_MASS: 1282.680904
+CH$SMILES: O=C([C@@H](CCC(N)=O)NC1=O)NCC(N2[C@@H](CCC2)C(N3[C@@H](CCC3)C(N[C@H]([C@@H](C)CC)C(N[C@@H](CO)C(N/C(C(N[C@@H]([C@@H](C)O)C(N[C@H](CCC4=CC=CC=C4)C(N5[C@@H](CCC5)C(NC(CC(O)CC(O)C(O)CC(C)C)C1O)=O)=O)=O)=O)=C/C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C61H94N12O18/c1-7-33(5)49-57(87)68-41(31-74)54(84)64-37(8-2)53(83)70-50(34(6)75)58(88)66-39(21-20-35-15-10-9-11-16-35)60(90)72-25-12-17-42(72)55(85)67-40(28-36(76)29-46(78)45(77)27-32(3)4)51(81)59(89)65-38(22-23-47(62)79)52(82)63-30-48(80)71-24-14-19-44(71)61(91)73-26-13-18-43(73)56(86)69-49/h8-11,15-16,32-34,36,38-46,49-51,74-78,81H,7,12-14,17-31H2,1-6H3,(H2,62,79)(H,63,82)(H,64,84)(H,65,89)(H,66,88)(H,67,85)(H,68,87)(H,69,86)(H,70,83)/b37-8+/t33-,34+,36?,38+,39+,40?,41-,42-,43-,44-,45?,46?,49+,50-,51?/m0/s1
+CH$LINK: PUBCHEM CID:146683716
+CH$LINK: INCHIKEY OCPKVHKLLYWOOG-FIAGRJNLSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 132-1330
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.727 min
+MS$FOCUSED_ION: BASE_PEAK 642.3469
+MS$FOCUSED_ION: PRECURSOR_M/Z 1283.6882
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-001r-0940000000-e5af0339429c9558ab79
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  134.0962 C9H12N+ 1 134.0964 -1.38
+  138.1275 C9H16N+ 1 138.1277 -1.33
+  141.0657 C6H9N2O2+ 1 141.0659 -1.15
+  141.1022 C7H13N2O+ 1 141.1022 -0.13
+  143.1065 C8H15O2+ 1 143.1067 -1.41
+  145.1006 C11H13+ 1 145.1012 -3.85
+  150.1274 C10H16N+ 1 150.1277 -1.92
+  153.0661 C7H9N2O2+ 1 153.0659 1.68
+  153.102 C8H13N2O+ 1 153.1022 -1.67
+  155.0813 C7H11N2O2+ 1 155.0815 -1.55
+  157.0972 C7H13N2O2+ 1 157.0972 0.17
+  163.1111 C11H15O+ 2 163.1117 -4.06
+  165.1017 C9H13N2O+ 1 165.1022 -3.05
+  167.081 C8H11N2O2+ 1 167.0815 -2.78
+  167.1176 C9H15N2O+ 1 167.1179 -2.01
+  168.0767 C7H10N3O2+ 1 168.0768 -0.3
+  169.0604 C7H9N2O3+ 1 169.0608 -2.08
+  169.122 C10H17O2+ 1 169.1223 -1.63
+  180.1378 C11H18NO+ 2 180.1383 -2.85
+  181.0971 C9H13N2O2+ 1 181.0972 -0.1
+  181.1222 C11H17O2+ 1 181.1223 -0.81
+  183.1489 C10H19N2O+ 1 183.1492 -1.79
+  186.1276 C13H16N+ 1 186.1277 -0.77
+  186.1489 C10H20NO2+ 1 186.1489 -0.01
+  187.0707 C7H11N2O4+ 2 187.0713 -3.6
+  190.1221 C12H16NO+ 2 190.1226 -2.99
+  195.1124 C10H15N2O2+ 1 195.1128 -1.88
+  195.1493 C11H19N2O+ 1 195.1492 0.58
+  198.1484 C11H20NO2+ 2 198.1489 -2.4
+  201.1234 C9H17N2O3+ 1 201.1234 0.13
+  208.1327 C12H18NO2+ 2 208.1332 -2.59
+  211.1435 C11H19N2O2+ 2 211.1441 -2.76
+  212.1391 C10H18N3O2+ 1 212.1394 -1.25
+  214.082 C8H12N3O4+ 1 214.0822 -0.99
+  216.1587 C11H22NO3+ 2 216.1594 -3.22
+  223.1436 C10H17N5O+ 2 223.1428 3.56
+  226.1427 C10H18N4O2+ 2 226.1424 1.37
+  228.0975 C9H14N3O4+ 2 228.0979 -1.89
+  235.143 C11H17N5O+ 2 235.1428 0.85
+  244.1539 C12H22NO4+ 2 244.1543 -1.75
+  252.1331 C10H16N6O2+ 2 252.1329 0.61
+  254.1122 C9H14N6O3+ 1 254.1122 -0.13
+  261.1807 C10H23N5O3+ 2 261.1795 4.39
+  266.113 C10H14N6O3+ 2 266.1122 3.09
+  280.2018 C15H26N3O2+ 5 280.202 -0.69
+  283.1405 C12H19N4O4+ 3 283.1401 1.45
+  298.1756 C14H24N3O4+ 4 298.1761 -1.74
+  301.1544 C17H21N2O3+ 6 301.1547 -1.05
+  308.1968 C16H26N3O3+ 7 308.1969 -0.13
+  324.1183 C12H16N6O5+ 5 324.1177 1.9
+  346.1763 C18H24N3O4+ 10 346.1761 0.5
+  363.2033 C19H23N8+ 8 363.204 -1.86
+  381.2128 C3H35N5O15+ 11 381.2124 1.03
+PK$NUM_PEAK: 53
+PK$PEAK: m/z int. rel.int.
+  134.0962 1303176.9 320
+  138.1275 287554.8 70
+  141.0657 187864.6 46
+  141.1022 62124.7 15
+  143.1065 747147.3 183
+  145.1006 176654.6 43
+  150.1274 340833.8 83
+  153.0661 68776.6 16
+  153.102 393418.9 96
+  155.0813 1901216.1 466
+  157.0972 90175.8 22
+  163.1111 347484.3 85
+  165.1017 113762.4 27
+  167.081 322930.1 79
+  167.1176 602945.1 148
+  168.0767 157242.5 38
+  169.0604 205614.6 50
+  169.122 85247.8 20
+  180.1378 249374 61
+  181.0971 254314.3 62
+  181.1222 135411.3 33
+  183.1489 4068172 999
+  186.1276 1401116.5 344
+  186.1489 760580 186
+  187.0707 229897 56
+  190.1221 279296.1 68
+  195.1124 595747.9 146
+  195.1493 178819.9 43
+  198.1484 288506.7 70
+  201.1234 357665.9 87
+  208.1327 365656 89
+  211.1435 1234060.6 303
+  212.1391 157086 38
+  214.082 122156.7 29
+  216.1587 1556354.9 382
+  223.1436 163014.6 40
+  226.1427 281625.6 69
+  228.0975 114875.5 28
+  235.143 690057 169
+  244.1539 230707.4 56
+  252.1331 388933.3 95
+  254.1122 196251.2 48
+  261.1807 539993.6 132
+  266.113 557065.2 136
+  280.2018 263338.4 64
+  283.1405 126493.2 31
+  298.1756 564198.4 138
+  301.1544 112003.5 27
+  308.1968 288578.6 70
+  324.1183 88790.9 21
+  346.1763 124542.1 30
+  363.2033 302494.8 74
+  381.2128 135555.1 33
+//
diff --git a/Eawag/MSBNK-EAWAG-ED017407.txt b/Eawag/MSBNK-EAWAG-ED017407.txt
new file mode 100644
index 0000000000..75d6b1e24a
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED017407.txt
@@ -0,0 +1,120 @@
+ACCESSION: MSBNK-EAWAG-ED017407
+RECORD_TITLE: Portoamide D; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1073/pnas.0914343107
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 174
+CH$NAME: Portoamide D
+CH$NAME: 3-((6R,9S,15S,18R,20aS,25aS,34R,40aS,E)-18-((S)-sec-butyl)-12-ethylidene-37-hydroxy-9-((R)-1-hydroxyethyl)-15-(hydroxymethyl)-5,8,11,14,17,20,25,30,33,36,40-undecaoxo-6-phenethyl-38-(2,4,5-trihydroxy-7-methyloctyl)octatriacontahydro-1H,25H-tripyrrolo[1,2-b1:1`,2`-g:1``,2``-j][1,4,7,10,13,16,19,22,25,28,31]undecaazacyclotetratriacontin-34-yl)propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C61H94N12O18
+CH$EXACT_MASS: 1282.680904
+CH$SMILES: O=C([C@@H](CCC(N)=O)NC1=O)NCC(N2[C@@H](CCC2)C(N3[C@@H](CCC3)C(N[C@H]([C@@H](C)CC)C(N[C@@H](CO)C(N/C(C(N[C@@H]([C@@H](C)O)C(N[C@H](CCC4=CC=CC=C4)C(N5[C@@H](CCC5)C(NC(CC(O)CC(O)C(O)CC(C)C)C1O)=O)=O)=O)=O)=C/C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C61H94N12O18/c1-7-33(5)49-57(87)68-41(31-74)54(84)64-37(8-2)53(83)70-50(34(6)75)58(88)66-39(21-20-35-15-10-9-11-16-35)60(90)72-25-12-17-42(72)55(85)67-40(28-36(76)29-46(78)45(77)27-32(3)4)51(81)59(89)65-38(22-23-47(62)79)52(82)63-30-48(80)71-24-14-19-44(71)61(91)73-26-13-18-43(73)56(86)69-49/h8-11,15-16,32-34,36,38-46,49-51,74-78,81H,7,12-14,17-31H2,1-6H3,(H2,62,79)(H,63,82)(H,64,84)(H,65,89)(H,66,88)(H,67,85)(H,68,87)(H,69,86)(H,70,83)/b37-8+/t33-,34+,36?,38+,39+,40?,41-,42-,43-,44-,45?,46?,49+,50-,51?/m0/s1
+CH$LINK: PUBCHEM CID:146683716
+CH$LINK: INCHIKEY OCPKVHKLLYWOOG-FIAGRJNLSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 132-1330
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.727 min
+MS$FOCUSED_ION: BASE_PEAK 642.3469
+MS$FOCUSED_ION: PRECURSOR_M/Z 1283.6882
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-001i-0910000000-8bc547436231299cc83e
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  134.0962 C9H12N+ 1 134.0964 -1.84
+  135.1172 C10H15+ 1 135.1168 2.79
+  137.0708 C7H9N2O+ 1 137.0709 -1.15
+  137.0961 C9H13O+ 1 137.0961 0.14
+  139.0501 C6H7N2O2+ 1 139.0502 -0.95
+  139.0861 C7H11N2O+ 1 139.0866 -3.2
+  140.0821 C6H10N3O+ 1 140.0818 1.52
+  141.0655 C6H9N2O2+ 1 141.0659 -2.23
+  143.1065 C8H15O2+ 1 143.1067 -0.98
+  145.1005 C11H13+ 1 145.1012 -4.48
+  150.1277 C10H16N+ 1 150.1277 -0.5
+  151.1106 C8H13N3+ 1 151.1104 1.16
+  153.0657 C7H9N2O2+ 1 153.0659 -1.31
+  153.1021 C8H13N2O+ 1 153.1022 -1.17
+  155.0455 C6H7N2O3+ 1 155.0451 2.25
+  155.0811 C7H11N2O2+ 1 155.0815 -2.33
+  167.118 C9H15N2O+ 1 167.1179 0.82
+  167.1547 C10H19N2+ 1 167.1543 2.32
+  168.0766 C7H10N3O2+ 1 168.0768 -1.12
+  169.0608 C7H9N2O3+ 1 169.0608 0.44
+  181.0608 C8H9N2O3+ 1 181.0608 0.11
+  181.097 C9H13N2O2+ 1 181.0972 -1.03
+  181.1225 C11H17O2+ 1 181.1223 1.3
+  183.077 C8H11N2O3+ 1 183.0764 3.14
+  183.1488 C10H19N2O+ 2 183.1492 -2.37
+  185.0917 C8H13N2O3+ 1 185.0921 -2.15
+  186.1274 C13H16N+ 1 186.1277 -1.51
+  186.1489 C10H20NO2+ 1 186.1489 0.15
+  187.0704 C7H11N2O4+ 2 187.0713 -4.83
+  191.1064 C12H15O2+ 1 191.1067 -1.38
+  195.1486 C11H19N2O+ 2 195.1492 -3.1
+  197.1284 C10H17N2O2+ 1 197.1285 -0.51
+  211.1438 C11H19N2O2+ 2 211.1441 -1.46
+  216.1587 C11H22NO3+ 2 216.1594 -3.43
+  220.1079 C11H14N3O2+ 1 220.1081 -0.87
+  226.1434 C10H18N4O2+ 2 226.1424 4.14
+  252.1338 C10H16N6O2+ 2 252.1329 3.57
+  262.1642 C10H22N4O4+ 3 262.1636 2.61
+  266.1125 C10H14N6O3+ 2 266.1122 1.15
+PK$NUM_PEAK: 39
+PK$PEAK: m/z int. rel.int.
+  134.0962 1022261.8 369
+  135.1172 122973.6 44
+  137.0708 152744.9 55
+  137.0961 166748.2 60
+  139.0501 65695.7 23
+  139.0861 292235.2 105
+  140.0821 170103.9 61
+  141.0655 239339.8 86
+  143.1065 829195.1 299
+  145.1005 180846.1 65
+  150.1277 320834.2 116
+  151.1106 229774 83
+  153.0657 133330.6 48
+  153.1021 295428.1 106
+  155.0455 189314.9 68
+  155.0811 1266291.6 457
+  167.118 432885.4 156
+  167.1547 131217.5 47
+  168.0766 156737.8 56
+  169.0608 175577.6 63
+  181.0608 120731.7 43
+  181.097 114059.4 41
+  181.1225 78040.3 28
+  183.077 209318.1 75
+  183.1488 2762630.8 999
+  185.0917 133172.6 48
+  186.1274 1102613.4 398
+  186.1489 500515.6 180
+  187.0704 200707.3 72
+  191.1064 159014.1 57
+  195.1486 155025.9 56
+  197.1284 130305.2 47
+  211.1438 385561.4 139
+  216.1587 889927 321
+  220.1079 149232.9 53
+  226.1434 138807.8 50
+  252.1338 89605 32
+  262.1642 121335.1 43
+  266.1125 161384 58
+//
diff --git a/Eawag/MSBNK-EAWAG-ED017408.txt b/Eawag/MSBNK-EAWAG-ED017408.txt
new file mode 100644
index 0000000000..37141e3f0c
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED017408.txt
@@ -0,0 +1,90 @@
+ACCESSION: MSBNK-EAWAG-ED017408
+RECORD_TITLE: Portoamide D; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1073/pnas.0914343107
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 174
+CH$NAME: Portoamide D
+CH$NAME: 3-((6R,9S,15S,18R,20aS,25aS,34R,40aS,E)-18-((S)-sec-butyl)-12-ethylidene-37-hydroxy-9-((R)-1-hydroxyethyl)-15-(hydroxymethyl)-5,8,11,14,17,20,25,30,33,36,40-undecaoxo-6-phenethyl-38-(2,4,5-trihydroxy-7-methyloctyl)octatriacontahydro-1H,25H-tripyrrolo[1,2-b1:1`,2`-g:1``,2``-j][1,4,7,10,13,16,19,22,25,28,31]undecaazacyclotetratriacontin-34-yl)propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C61H94N12O18
+CH$EXACT_MASS: 1282.680904
+CH$SMILES: O=C([C@@H](CCC(N)=O)NC1=O)NCC(N2[C@@H](CCC2)C(N3[C@@H](CCC3)C(N[C@H]([C@@H](C)CC)C(N[C@@H](CO)C(N/C(C(N[C@@H]([C@@H](C)O)C(N[C@H](CCC4=CC=CC=C4)C(N5[C@@H](CCC5)C(NC(CC(O)CC(O)C(O)CC(C)C)C1O)=O)=O)=O)=O)=C/C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C61H94N12O18/c1-7-33(5)49-57(87)68-41(31-74)54(84)64-37(8-2)53(83)70-50(34(6)75)58(88)66-39(21-20-35-15-10-9-11-16-35)60(90)72-25-12-17-42(72)55(85)67-40(28-36(76)29-46(78)45(77)27-32(3)4)51(81)59(89)65-38(22-23-47(62)79)52(82)63-30-48(80)71-24-14-19-44(71)61(91)73-26-13-18-43(73)56(86)69-49/h8-11,15-16,32-34,36,38-46,49-51,74-78,81H,7,12-14,17-31H2,1-6H3,(H2,62,79)(H,63,82)(H,64,84)(H,65,89)(H,66,88)(H,67,85)(H,68,87)(H,69,86)(H,70,83)/b37-8+/t33-,34+,36?,38+,39+,40?,41-,42-,43-,44-,45?,46?,49+,50-,51?/m0/s1
+CH$LINK: PUBCHEM CID:146683716
+CH$LINK: INCHIKEY OCPKVHKLLYWOOG-FIAGRJNLSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 132-1330
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.727 min
+MS$FOCUSED_ION: BASE_PEAK 642.3469
+MS$FOCUSED_ION: PRECURSOR_M/Z 1283.6882
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-001r-0900000000-4ef09c68a4b3e5c8ded8
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  134.0961 C9H12N+ 1 134.0964 -2.07
+  137.0707 C7H9N2O+ 1 137.0709 -1.82
+  137.0961 C9H13O+ 1 137.0961 0.14
+  139.0502 C6H7N2O2+ 1 139.0502 0.04
+  139.0865 C7H11N2O+ 1 139.0866 -0.57
+  140.0818 C6H10N3O+ 1 140.0818 -0.33
+  141.0658 C6H9N2O2+ 1 141.0659 -0.29
+  143.1065 C8H15O2+ 1 143.1067 -0.98
+  150.1273 C10H16N+ 1 150.1277 -2.84
+  153.1019 C8H13N2O+ 1 153.1022 -2.06
+  155.0812 C7H11N2O2+ 1 155.0815 -1.84
+  163.1117 C11H15O+ 1 163.1117 -0.13
+  165.1028 C9H13N2O+ 1 165.1022 3.33
+  167.0813 C8H11N2O2+ 1 167.0815 -1.14
+  169.061 C7H9N2O3+ 1 169.0608 1.62
+  171.0764 C7H11N2O3+ 1 171.0764 0.14
+  180.1381 C11H18NO+ 1 180.1383 -0.91
+  183.0761 C8H11N2O3+ 1 183.0764 -1.78
+  183.1488 C10H19N2O+ 2 183.1492 -2.37
+  186.1277 C13H16N+ 1 186.1277 -0.2
+  186.1482 C10H20NO2+ 2 186.1489 -3.7
+  187.0709 C7H11N2O4+ 2 187.0713 -2.38
+  190.1225 C12H16NO+ 1 190.1226 -0.67
+  216.1585 C11H22NO3+ 2 216.1594 -4.35
+PK$NUM_PEAK: 24
+PK$PEAK: m/z int. rel.int.
+  134.0961 688120.4 756
+  137.0707 155124.9 170
+  137.0961 113513.5 124
+  139.0502 133431.5 146
+  139.0865 311235.8 342
+  140.0818 143778.3 158
+  141.0658 209392.3 230
+  143.1065 467206.8 513
+  150.1273 286778.6 315
+  153.1019 156505.8 172
+  155.0812 500717 550
+  163.1117 138836.2 152
+  165.1028 52848 58
+  167.0813 130628.3 143
+  169.061 140253.4 154
+  171.0764 152516.8 167
+  180.1381 166637.5 183
+  183.0761 137307.3 150
+  183.1488 908502.1 999
+  186.1277 745132.2 819
+  186.1482 117173.2 128
+  187.0709 80302.4 88
+  190.1225 131547 144
+  216.1585 231831.8 254
+//
diff --git a/Eawag/MSBNK-EAWAG-ED017451.txt b/Eawag/MSBNK-EAWAG-ED017451.txt
new file mode 100644
index 0000000000..ac2a55eccc
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED017451.txt
@@ -0,0 +1,60 @@
+ACCESSION: MSBNK-EAWAG-ED017451
+RECORD_TITLE: Portoamide D; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1073/pnas.0914343107
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 174
+CH$NAME: Portoamide D
+CH$NAME: 3-((6R,9S,15S,18R,20aS,25aS,34R,40aS,E)-18-((S)-sec-butyl)-12-ethylidene-37-hydroxy-9-((R)-1-hydroxyethyl)-15-(hydroxymethyl)-5,8,11,14,17,20,25,30,33,36,40-undecaoxo-6-phenethyl-38-(2,4,5-trihydroxy-7-methyloctyl)octatriacontahydro-1H,25H-tripyrrolo[1,2-b1:1`,2`-g:1``,2``-j][1,4,7,10,13,16,19,22,25,28,31]undecaazacyclotetratriacontin-34-yl)propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C61H94N12O18
+CH$EXACT_MASS: 1282.680904
+CH$SMILES: O=C([C@@H](CCC(N)=O)NC1=O)NCC(N2[C@@H](CCC2)C(N3[C@@H](CCC3)C(N[C@H]([C@@H](C)CC)C(N[C@@H](CO)C(N/C(C(N[C@@H]([C@@H](C)O)C(N[C@H](CCC4=CC=CC=C4)C(N5[C@@H](CCC5)C(NC(CC(O)CC(O)C(O)CC(C)C)C1O)=O)=O)=O)=O)=C/C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C61H94N12O18/c1-7-33(5)49-57(87)68-41(31-74)54(84)64-37(8-2)53(83)70-50(34(6)75)58(88)66-39(21-20-35-15-10-9-11-16-35)60(90)72-25-12-17-42(72)55(85)67-40(28-36(76)29-46(78)45(77)27-32(3)4)51(81)59(89)65-38(22-23-47(62)79)52(82)63-30-48(80)71-24-14-19-44(71)61(91)73-26-13-18-43(73)56(86)69-49/h8-11,15-16,32-34,36,38-46,49-51,74-78,81H,7,12-14,17-31H2,1-6H3,(H2,62,79)(H,63,82)(H,64,84)(H,65,89)(H,66,88)(H,67,85)(H,68,87)(H,69,86)(H,70,83)/b37-8+/t33-,34+,36?,38+,39+,40?,41-,42-,43-,44-,45?,46?,49+,50-,51?/m0/s1
+CH$LINK: PUBCHEM CID:146683716
+CH$LINK: INCHIKEY OCPKVHKLLYWOOG-FIAGRJNLSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 132-1328
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.741 min
+MS$FOCUSED_ION: BASE_PEAK 1327.6792
+MS$FOCUSED_ION: PRECURSOR_M/Z 1281.6736
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0019-0090000000-00f21ffb0dcb83f3c2a2
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  1189.6265 C60H87N9O16- 3 1189.6276 -0.99
+  1207.6378 C58H87N12O16- 2 1207.6368 0.8
+  1208.6243 C61H84N12O14- 3 1208.6235 0.6
+  1219.6381 C61H89N9O17- 2 1219.6382 -0.09
+  1237.6482 C61H91N9O18- 2 1237.6488 -0.43
+  1238.6389 C60H90N10O18- 1 1238.644 -4.08
+  1251.6634 C60H91N12O17- 1 1251.6631 0.25
+  1263.6634 C61H91N12O17- 1 1263.6631 0.26
+  1281.6732 C61H93N12O18- 1 1281.6736 -0.36
+PK$NUM_PEAK: 9
+PK$PEAK: m/z int. rel.int.
+  1189.6265 818386.8 22
+  1207.6378 6230088.5 173
+  1208.6243 469718.1 13
+  1219.6381 2989466.8 83
+  1237.6482 35878024 999
+  1238.6389 2997400.5 83
+  1251.6634 1458036.1 40
+  1263.6634 1464421.2 40
+  1281.6732 19315942 537
+//
diff --git a/Eawag/MSBNK-EAWAG-ED017452.txt b/Eawag/MSBNK-EAWAG-ED017452.txt
new file mode 100644
index 0000000000..cf2c4a27ef
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED017452.txt
@@ -0,0 +1,68 @@
+ACCESSION: MSBNK-EAWAG-ED017452
+RECORD_TITLE: Portoamide D; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1073/pnas.0914343107
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 174
+CH$NAME: Portoamide D
+CH$NAME: 3-((6R,9S,15S,18R,20aS,25aS,34R,40aS,E)-18-((S)-sec-butyl)-12-ethylidene-37-hydroxy-9-((R)-1-hydroxyethyl)-15-(hydroxymethyl)-5,8,11,14,17,20,25,30,33,36,40-undecaoxo-6-phenethyl-38-(2,4,5-trihydroxy-7-methyloctyl)octatriacontahydro-1H,25H-tripyrrolo[1,2-b1:1`,2`-g:1``,2``-j][1,4,7,10,13,16,19,22,25,28,31]undecaazacyclotetratriacontin-34-yl)propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C61H94N12O18
+CH$EXACT_MASS: 1282.680904
+CH$SMILES: O=C([C@@H](CCC(N)=O)NC1=O)NCC(N2[C@@H](CCC2)C(N3[C@@H](CCC3)C(N[C@H]([C@@H](C)CC)C(N[C@@H](CO)C(N/C(C(N[C@@H]([C@@H](C)O)C(N[C@H](CCC4=CC=CC=C4)C(N5[C@@H](CCC5)C(NC(CC(O)CC(O)C(O)CC(C)C)C1O)=O)=O)=O)=O)=C/C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C61H94N12O18/c1-7-33(5)49-57(87)68-41(31-74)54(84)64-37(8-2)53(83)70-50(34(6)75)58(88)66-39(21-20-35-15-10-9-11-16-35)60(90)72-25-12-17-42(72)55(85)67-40(28-36(76)29-46(78)45(77)27-32(3)4)51(81)59(89)65-38(22-23-47(62)79)52(82)63-30-48(80)71-24-14-19-44(71)61(91)73-26-13-18-43(73)56(86)69-49/h8-11,15-16,32-34,36,38-46,49-51,74-78,81H,7,12-14,17-31H2,1-6H3,(H2,62,79)(H,63,82)(H,64,84)(H,65,89)(H,66,88)(H,67,85)(H,68,87)(H,69,86)(H,70,83)/b37-8+/t33-,34+,36?,38+,39+,40?,41-,42-,43-,44-,45?,46?,49+,50-,51?/m0/s1
+CH$LINK: PUBCHEM CID:146683716
+CH$LINK: INCHIKEY OCPKVHKLLYWOOG-FIAGRJNLSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 132-1328
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.741 min
+MS$FOCUSED_ION: BASE_PEAK 1327.6792
+MS$FOCUSED_ION: PRECURSOR_M/Z 1281.6736
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-052r-0190000000-fe540c8962f7a3c827ab
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  1136.6013 C57H84N8O16- 7 1136.6011 0.15
+  1189.6273 C60H87N9O16- 3 1189.6276 -0.27
+  1201.6284 C61H87N9O16- 3 1201.6276 0.66
+  1207.6372 C58H87N12O16- 2 1207.6368 0.3
+  1208.6232 C61H84N12O14- 3 1208.6235 -0.31
+  1219.6375 C59H87N12O16- 2 1219.6368 0.51
+  1220.6234 C61H88N8O18- 2 1220.6222 1
+  1233.6553 C60H89N12O16- 1 1233.6525 2.27
+  1237.6481 C61H91N9O18- 2 1237.6488 -0.53
+  1238.6388 C60H90N10O18- 1 1238.644 -4.18
+  1251.6633 C60H91N12O17- 1 1251.6631 0.15
+  1263.6646 C61H91N12O17- 1 1263.6631 1.22
+  1281.6722 C61H93N12O18- 1 1281.6736 -1.12
+PK$NUM_PEAK: 13
+PK$PEAK: m/z int. rel.int.
+  1136.6013 371034.1 16
+  1189.6273 7543172.5 344
+  1201.6284 496903.4 22
+  1207.6372 21882800 999
+  1208.6232 1778492.1 81
+  1219.6375 9223335 421
+  1220.6234 763385.3 34
+  1233.6553 381306.3 17
+  1237.6481 17307268 790
+  1238.6388 1493914.8 68
+  1251.6633 533953.9 24
+  1263.6646 812890 37
+  1281.6722 1241657.2 56
+//
diff --git a/Eawag/MSBNK-EAWAG-ED017453.txt b/Eawag/MSBNK-EAWAG-ED017453.txt
new file mode 100644
index 0000000000..0c74088cce
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED017453.txt
@@ -0,0 +1,66 @@
+ACCESSION: MSBNK-EAWAG-ED017453
+RECORD_TITLE: Portoamide D; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1073/pnas.0914343107
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 174
+CH$NAME: Portoamide D
+CH$NAME: 3-((6R,9S,15S,18R,20aS,25aS,34R,40aS,E)-18-((S)-sec-butyl)-12-ethylidene-37-hydroxy-9-((R)-1-hydroxyethyl)-15-(hydroxymethyl)-5,8,11,14,17,20,25,30,33,36,40-undecaoxo-6-phenethyl-38-(2,4,5-trihydroxy-7-methyloctyl)octatriacontahydro-1H,25H-tripyrrolo[1,2-b1:1`,2`-g:1``,2``-j][1,4,7,10,13,16,19,22,25,28,31]undecaazacyclotetratriacontin-34-yl)propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C61H94N12O18
+CH$EXACT_MASS: 1282.680904
+CH$SMILES: O=C([C@@H](CCC(N)=O)NC1=O)NCC(N2[C@@H](CCC2)C(N3[C@@H](CCC3)C(N[C@H]([C@@H](C)CC)C(N[C@@H](CO)C(N/C(C(N[C@@H]([C@@H](C)O)C(N[C@H](CCC4=CC=CC=C4)C(N5[C@@H](CCC5)C(NC(CC(O)CC(O)C(O)CC(C)C)C1O)=O)=O)=O)=O)=C/C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C61H94N12O18/c1-7-33(5)49-57(87)68-41(31-74)54(84)64-37(8-2)53(83)70-50(34(6)75)58(88)66-39(21-20-35-15-10-9-11-16-35)60(90)72-25-12-17-42(72)55(85)67-40(28-36(76)29-46(78)45(77)27-32(3)4)51(81)59(89)65-38(22-23-47(62)79)52(82)63-30-48(80)71-24-14-19-44(71)61(91)73-26-13-18-43(73)56(86)69-49/h8-11,15-16,32-34,36,38-46,49-51,74-78,81H,7,12-14,17-31H2,1-6H3,(H2,62,79)(H,63,82)(H,64,84)(H,65,89)(H,66,88)(H,67,85)(H,68,87)(H,69,86)(H,70,83)/b37-8+/t33-,34+,36?,38+,39+,40?,41-,42-,43-,44-,45?,46?,49+,50-,51?/m0/s1
+CH$LINK: PUBCHEM CID:146683716
+CH$LINK: INCHIKEY OCPKVHKLLYWOOG-FIAGRJNLSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 132-1328
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.741 min
+MS$FOCUSED_ION: BASE_PEAK 1327.6792
+MS$FOCUSED_ION: PRECURSOR_M/Z 1281.6736
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0a4r-0690000000-a98dae7aee075164a80b
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  525.2559 C8H37N12O14- 14 525.2558 0.25
+  752.4198 C35H58N7O11- 19 752.42 -0.19
+  1067.5777 C52H79N10O14- 10 1067.5783 -0.49
+  1110.5828 C53H80N11O15- 9 1110.5841 -1.16
+  1136.6008 C57H84N8O16- 7 1136.6011 -0.28
+  1176.63 C61H84N12O12- 4 1176.6337 -3.18
+  1189.6265 C60H87N9O16- 3 1189.6276 -0.99
+  1190.6133 C61H82N12O13- 4 1190.613 0.24
+  1201.6284 C61H87N9O16- 3 1201.6276 0.66
+  1207.6367 C58H87N12O16- 2 1207.6368 -0.1
+  1219.6371 C59H87N12O16- 2 1219.6368 0.21
+  1220.6226 C61H88N8O18- 2 1220.6222 0.3
+PK$NUM_PEAK: 12
+PK$PEAK: m/z int. rel.int.
+  525.2559 346780.7 21
+  752.4198 1127288.2 70
+  1067.5777 687607.2 42
+  1110.5828 703129.4 43
+  1136.6008 297919.6 18
+  1176.63 169680.5 10
+  1189.6265 14272688 888
+  1190.6133 1451247.4 90
+  1201.6284 623263.8 38
+  1207.6367 16048746 999
+  1219.6371 5281917.5 328
+  1220.6226 472137.1 29
+//
diff --git a/Eawag/MSBNK-EAWAG-ED017454.txt b/Eawag/MSBNK-EAWAG-ED017454.txt
new file mode 100644
index 0000000000..33fd9e8a8a
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED017454.txt
@@ -0,0 +1,82 @@
+ACCESSION: MSBNK-EAWAG-ED017454
+RECORD_TITLE: Portoamide D; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1073/pnas.0914343107
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 174
+CH$NAME: Portoamide D
+CH$NAME: 3-((6R,9S,15S,18R,20aS,25aS,34R,40aS,E)-18-((S)-sec-butyl)-12-ethylidene-37-hydroxy-9-((R)-1-hydroxyethyl)-15-(hydroxymethyl)-5,8,11,14,17,20,25,30,33,36,40-undecaoxo-6-phenethyl-38-(2,4,5-trihydroxy-7-methyloctyl)octatriacontahydro-1H,25H-tripyrrolo[1,2-b1:1`,2`-g:1``,2``-j][1,4,7,10,13,16,19,22,25,28,31]undecaazacyclotetratriacontin-34-yl)propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C61H94N12O18
+CH$EXACT_MASS: 1282.680904
+CH$SMILES: O=C([C@@H](CCC(N)=O)NC1=O)NCC(N2[C@@H](CCC2)C(N3[C@@H](CCC3)C(N[C@H]([C@@H](C)CC)C(N[C@@H](CO)C(N/C(C(N[C@@H]([C@@H](C)O)C(N[C@H](CCC4=CC=CC=C4)C(N5[C@@H](CCC5)C(NC(CC(O)CC(O)C(O)CC(C)C)C1O)=O)=O)=O)=O)=C/C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C61H94N12O18/c1-7-33(5)49-57(87)68-41(31-74)54(84)64-37(8-2)53(83)70-50(34(6)75)58(88)66-39(21-20-35-15-10-9-11-16-35)60(90)72-25-12-17-42(72)55(85)67-40(28-36(76)29-46(78)45(77)27-32(3)4)51(81)59(89)65-38(22-23-47(62)79)52(82)63-30-48(80)71-24-14-19-44(71)61(91)73-26-13-18-43(73)56(86)69-49/h8-11,15-16,32-34,36,38-46,49-51,74-78,81H,7,12-14,17-31H2,1-6H3,(H2,62,79)(H,63,82)(H,64,84)(H,65,89)(H,66,88)(H,67,85)(H,68,87)(H,69,86)(H,70,83)/b37-8+/t33-,34+,36?,38+,39+,40?,41-,42-,43-,44-,45?,46?,49+,50-,51?/m0/s1
+CH$LINK: PUBCHEM CID:146683716
+CH$LINK: INCHIKEY OCPKVHKLLYWOOG-FIAGRJNLSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 132-1328
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.741 min
+MS$FOCUSED_ION: BASE_PEAK 1327.6792
+MS$FOCUSED_ION: PRECURSOR_M/Z 1281.6736
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-052r-0890010100-dc329a1f5c63a3638c4c
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  139.0513 C6H7N2O2- 1 139.0513 0.3
+  153.0668 C7H9N2O2- 1 153.067 -0.94
+  155.0455 C6H7N2O3- 2 155.0462 -4.84
+  226.1555 C11H20N3O2- 2 226.1561 -2.54
+  264.0989 C12H14N3O4- 2 264.099 -0.37
+  309.1193 C12H21O9- 4 309.1191 0.78
+  442.209 C7H34N6O15- 12 442.2088 0.5
+  453.2248 C8H35N7O14- 12 453.2247 0.03
+  524.2722 C38H36O2- 14 524.2721 0.22
+  525.2561 C8H37N12O14- 13 525.2558 0.6
+  752.4198 C35H58N7O11- 19 752.42 -0.19
+  1067.5779 C52H79N10O14- 10 1067.5783 -0.37
+  1110.5829 C53H80N11O15- 9 1110.5841 -1.05
+  1189.6275 C60H87N9O16- 3 1189.6276 -0.06
+  1190.6141 C61H82N12O13- 4 1190.613 0.96
+  1201.6287 C61H87N9O16- 3 1201.6276 0.86
+  1207.6377 C58H87N12O16- 2 1207.6368 0.7
+  1208.6257 C61H84N12O14- 3 1208.6235 1.81
+  1219.6378 C61H89N9O17- 2 1219.6382 -0.29
+  1237.6497 C61H91N9O18- 2 1237.6488 0.75
+PK$NUM_PEAK: 20
+PK$PEAK: m/z int. rel.int.
+  139.0513 78100.3 11
+  153.0668 88088 13
+  155.0455 113657.1 17
+  226.1555 333402.6 51
+  264.0989 111867.1 17
+  309.1193 371959.3 57
+  442.209 232405.5 35
+  453.2248 335264.6 51
+  524.2722 182723.1 28
+  525.2561 1208469.2 185
+  752.4198 1635653.5 250
+  1067.5779 607198.8 93
+  1110.5829 255343 39
+  1189.6275 6518392.5 999
+  1190.6141 780001.1 119
+  1201.6287 244404.2 37
+  1207.6377 5272117 807
+  1208.6257 407660.9 62
+  1219.6378 1192151.4 182
+  1237.6497 413416.8 63
+//
diff --git a/Eawag/MSBNK-EAWAG-ED017455.txt b/Eawag/MSBNK-EAWAG-ED017455.txt
new file mode 100644
index 0000000000..e7fdc0c341
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED017455.txt
@@ -0,0 +1,134 @@
+ACCESSION: MSBNK-EAWAG-ED017455
+RECORD_TITLE: Portoamide D; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1073/pnas.0914343107
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 174
+CH$NAME: Portoamide D
+CH$NAME: 3-((6R,9S,15S,18R,20aS,25aS,34R,40aS,E)-18-((S)-sec-butyl)-12-ethylidene-37-hydroxy-9-((R)-1-hydroxyethyl)-15-(hydroxymethyl)-5,8,11,14,17,20,25,30,33,36,40-undecaoxo-6-phenethyl-38-(2,4,5-trihydroxy-7-methyloctyl)octatriacontahydro-1H,25H-tripyrrolo[1,2-b1:1`,2`-g:1``,2``-j][1,4,7,10,13,16,19,22,25,28,31]undecaazacyclotetratriacontin-34-yl)propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C61H94N12O18
+CH$EXACT_MASS: 1282.680904
+CH$SMILES: O=C([C@@H](CCC(N)=O)NC1=O)NCC(N2[C@@H](CCC2)C(N3[C@@H](CCC3)C(N[C@H]([C@@H](C)CC)C(N[C@@H](CO)C(N/C(C(N[C@@H]([C@@H](C)O)C(N[C@H](CCC4=CC=CC=C4)C(N5[C@@H](CCC5)C(NC(CC(O)CC(O)C(O)CC(C)C)C1O)=O)=O)=O)=O)=C/C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C61H94N12O18/c1-7-33(5)49-57(87)68-41(31-74)54(84)64-37(8-2)53(83)70-50(34(6)75)58(88)66-39(21-20-35-15-10-9-11-16-35)60(90)72-25-12-17-42(72)55(85)67-40(28-36(76)29-46(78)45(77)27-32(3)4)51(81)59(89)65-38(22-23-47(62)79)52(82)63-30-48(80)71-24-14-19-44(71)61(91)73-26-13-18-43(73)56(86)69-49/h8-11,15-16,32-34,36,38-46,49-51,74-78,81H,7,12-14,17-31H2,1-6H3,(H2,62,79)(H,63,82)(H,64,84)(H,65,89)(H,66,88)(H,67,85)(H,68,87)(H,69,86)(H,70,83)/b37-8+/t33-,34+,36?,38+,39+,40?,41-,42-,43-,44-,45?,46?,49+,50-,51?/m0/s1
+CH$LINK: PUBCHEM CID:146683716
+CH$LINK: INCHIKEY OCPKVHKLLYWOOG-FIAGRJNLSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 132-1328
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.741 min
+MS$FOCUSED_ION: BASE_PEAK 1327.6792
+MS$FOCUSED_ION: PRECURSOR_M/Z 1281.6736
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-004i-0982020000-b0493aedbce947d29b6a
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  138.0672 C6H8N3O- 1 138.0673 -0.8
+  139.0512 C6H7N2O2- 1 139.0513 -0.8
+  140.0829 C6H10N3O- 1 140.0829 -0.56
+  141.0668 C6H9N2O2- 1 141.067 -0.79
+  144.0659 C6H10NO3- 2 144.0666 -4.9
+  145.0619 C5H9N2O3- 1 145.0619 0.17
+  151.0517 C7H7N2O2- 1 151.0513 2.51
+  152.0832 C7H10N3O- 1 152.0829 1.68
+  153.0667 C7H9N2O2- 1 153.067 -1.64
+  155.046 C6H7N2O3- 1 155.0462 -1.5
+  156.0778 C6H10N3O2- 1 156.0779 -0.52
+  163.0512 C8H7N2O2- 1 163.0513 -0.45
+  166.0616 C7H8N3O2- 2 166.0622 -3.79
+  167.0459 C7H7N2O3- 1 167.0462 -2.14
+  169.098 C8H13N2O2- 1 169.0983 -1.63
+  170.0928 C7H12N3O2- 2 170.0935 -4.06
+  178.0621 C8H8N3O2- 1 178.0622 -0.39
+  180.078 C8H10N3O2- 1 180.0779 0.84
+  184.0732 C7H10N3O3- 2 184.0728 2.3
+  185.0562 C7H9N2O4- 2 185.0568 -2.89
+  193.0612 C9H9N2O3- 2 193.0619 -3.32
+  194.0568 C8H8N3O3- 1 194.0571 -1.47
+  200.0707 C12H10NO2- 2 200.0717 -4.96
+  206.0568 C9H8N3O3- 1 206.0571 -1.5
+  208.145 C11H18N3O- 2 208.1455 -2.72
+  209.1288 C11H17N2O2- 2 209.1296 -3.55
+  210.0882 C9H12N3O3- 1 210.0884 -0.86
+  211.0722 C9H11N2O4- 1 211.0724 -1.32
+  212.1036 C7H12N6O2- 2 212.1027 4.14
+  217.0976 C12H13N2O2- 2 217.0983 -3.22
+  224.1031 C8H12N6O2- 2 224.1027 1.61
+  226.1556 C11H20N3O2- 2 226.1561 -2.27
+  250.1194 C12H16N3O3- 2 250.1197 -1.15
+  252.1349 C12H18N3O3- 2 252.1354 -1.84
+  256.1448 C13H16N6- 5 256.1442 2.51
+  264.0983 C12H14N3O4- 2 264.099 -2.56
+  274.1553 H26N4O12- 5 274.1553 0.15
+  291.1096 C13H15N4O4- 4 291.1099 -0.96
+  306.1815 CH30N4O13- 7 306.1815 0
+  309.1201 C12H11N11- 5 309.1204 -0.97
+  319.2144 C3H29N9O8- 7 319.2145 -0.05
+  371.179 C13H23N8O5- 6 371.1797 -1.93
+  442.2088 C7H34N6O15- 12 442.2088 0.15
+  453.2248 C8H35N7O14- 12 453.2247 0.17
+  524.272 C38H36O2- 15 524.2721 -0.13
+  525.2561 C8H37N12O14- 13 525.2558 0.71
+PK$NUM_PEAK: 46
+PK$PEAK: m/z int. rel.int.
+  138.0672 80930.9 42
+  139.0512 417219.3 218
+  140.0829 64557.2 33
+  141.0668 81359.6 42
+  144.0659 124689.2 65
+  145.0619 105810.2 55
+  151.0517 78093.9 40
+  152.0832 19218.9 10
+  153.0667 1024300.7 535
+  155.046 356927.7 186
+  156.0778 208261.3 108
+  163.0512 115858.6 60
+  166.0616 42317.7 22
+  167.0459 260811.2 136
+  169.098 289720.2 151
+  170.0928 149567.8 78
+  178.0621 202301 105
+  180.078 81465.1 42
+  184.0732 140295.2 73
+  185.0562 84442.9 44
+  193.0612 36349.3 19
+  194.0568 54237.7 28
+  200.0707 133552.8 69
+  206.0568 44135.1 23
+  208.145 39813.8 20
+  209.1288 135635.2 70
+  210.0882 64809 33
+  211.0722 111607 58
+  212.1036 25785.2 13
+  217.0976 135002.2 70
+  224.1031 55240.2 28
+  226.1556 1910284.6 999
+  250.1194 66641.5 34
+  252.1349 74734.2 39
+  256.1448 110722.4 57
+  264.0983 310388 162
+  274.1553 114332.9 59
+  291.1096 337010.8 176
+  306.1815 45648.3 23
+  309.1201 699147.7 365
+  319.2144 112910.5 59
+  371.179 122069.1 63
+  442.2088 262756.3 137
+  453.2248 149236.7 78
+  524.272 227426.2 118
+  525.2561 887412 464
+//
diff --git a/Eawag/MSBNK-EAWAG-ED017456.txt b/Eawag/MSBNK-EAWAG-ED017456.txt
new file mode 100644
index 0000000000..afefbc90b3
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED017456.txt
@@ -0,0 +1,142 @@
+ACCESSION: MSBNK-EAWAG-ED017456
+RECORD_TITLE: Portoamide D; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1073/pnas.0914343107
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 174
+CH$NAME: Portoamide D
+CH$NAME: 3-((6R,9S,15S,18R,20aS,25aS,34R,40aS,E)-18-((S)-sec-butyl)-12-ethylidene-37-hydroxy-9-((R)-1-hydroxyethyl)-15-(hydroxymethyl)-5,8,11,14,17,20,25,30,33,36,40-undecaoxo-6-phenethyl-38-(2,4,5-trihydroxy-7-methyloctyl)octatriacontahydro-1H,25H-tripyrrolo[1,2-b1:1`,2`-g:1``,2``-j][1,4,7,10,13,16,19,22,25,28,31]undecaazacyclotetratriacontin-34-yl)propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C61H94N12O18
+CH$EXACT_MASS: 1282.680904
+CH$SMILES: O=C([C@@H](CCC(N)=O)NC1=O)NCC(N2[C@@H](CCC2)C(N3[C@@H](CCC3)C(N[C@H]([C@@H](C)CC)C(N[C@@H](CO)C(N/C(C(N[C@@H]([C@@H](C)O)C(N[C@H](CCC4=CC=CC=C4)C(N5[C@@H](CCC5)C(NC(CC(O)CC(O)C(O)CC(C)C)C1O)=O)=O)=O)=O)=C/C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C61H94N12O18/c1-7-33(5)49-57(87)68-41(31-74)54(84)64-37(8-2)53(83)70-50(34(6)75)58(88)66-39(21-20-35-15-10-9-11-16-35)60(90)72-25-12-17-42(72)55(85)67-40(28-36(76)29-46(78)45(77)27-32(3)4)51(81)59(89)65-38(22-23-47(62)79)52(82)63-30-48(80)71-24-14-19-44(71)61(91)73-26-13-18-43(73)56(86)69-49/h8-11,15-16,32-34,36,38-46,49-51,74-78,81H,7,12-14,17-31H2,1-6H3,(H2,62,79)(H,63,82)(H,64,84)(H,65,89)(H,66,88)(H,67,85)(H,68,87)(H,69,86)(H,70,83)/b37-8+/t33-,34+,36?,38+,39+,40?,41-,42-,43-,44-,45?,46?,49+,50-,51?/m0/s1
+CH$LINK: PUBCHEM CID:146683716
+CH$LINK: INCHIKEY OCPKVHKLLYWOOG-FIAGRJNLSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 132-1328
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.741 min
+MS$FOCUSED_ION: BASE_PEAK 1327.6792
+MS$FOCUSED_ION: PRECURSOR_M/Z 1281.6736
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0ufr-0960000000-262130a37f54f5b0b614
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  135.0563 C7H7N2O- 1 135.0564 -0.86
+  137.0719 C7H9N2O- 1 137.072 -0.68
+  138.0672 C6H8N3O- 1 138.0673 -0.36
+  139.0511 C6H7N2O2- 1 139.0513 -1.12
+  140.0832 C6H10N3O- 1 140.0829 2.16
+  141.0669 C6H9N2O2- 1 141.067 -0.57
+  144.0661 C6H10NO3- 1 144.0666 -3.41
+  145.0618 C5H9N2O3- 1 145.0619 -0.68
+  149.072 C8H9N2O- 1 149.072 -0.25
+  151.0512 C7H7N2O2- 1 151.0513 -0.42
+  153.0666 C7H9N2O2- 1 153.067 -2.04
+  155.0462 C6H7N2O3- 1 155.0462 -0.12
+  155.0822 C7H11N2O2- 1 155.0826 -2.64
+  156.0781 C6H10N3O2- 1 156.0779 1.44
+  157.0618 C6H9N2O3- 1 157.0619 -0.15
+  163.0509 C8H7N2O2- 1 163.0513 -2.7
+  165.0663 C8H9N2O2- 2 165.067 -3.78
+  167.0456 C7H7N2O3- 2 167.0462 -3.97
+  167.0822 C8H11N2O2- 1 167.0826 -2.28
+  168.0779 C7H10N3O2- 1 168.0779 0.15
+  169.0979 C8H13N2O2- 1 169.0983 -1.99
+  170.0928 C7H12N3O2- 2 170.0935 -4.15
+  178.0616 C8H8N3O2- 2 178.0622 -3.3
+  179.0457 C8H7N2O3- 2 179.0462 -2.77
+  180.0774 C8H10N3O2- 2 180.0779 -2.63
+  181.1349 C10H17N2O- 1 181.1346 1.51
+  183.1499 C8H17N5- 2 183.1489 4.96
+  185.0562 C7H9N2O4- 2 185.0568 -2.89
+  193.0616 C9H9N2O3- 1 193.0619 -1.19
+  193.0975 C10H13N2O2- 2 193.0983 -4.08
+  194.0569 C8H8N3O3- 1 194.0571 -1.08
+  200.0709 C12H10NO2- 2 200.0717 -4.19
+  203.0828 C11H11N2O2- 1 203.0826 0.87
+  209.1035 C8H17O6- 3 209.1031 2
+  209.129 C11H17N2O2- 2 209.1296 -2.46
+  211.0718 C9H11N2O4- 2 211.0724 -3.13
+  217.098 C12H13N2O2- 1 217.0983 -1.18
+  224.1392 C9H16N6O- 1 224.1391 0.21
+  226.1555 C11H20N3O2- 2 226.1561 -2.74
+  240.1709 C12H22N3O2- 2 240.1718 -3.52
+  250.1191 C12H16N3O3- 2 250.1197 -2.44
+  256.1446 C13H16N6- 3 256.1442 1.56
+  263.1151 C12H15N4O3- 2 263.115 0.35
+  264.0984 C12H14N3O4- 2 264.099 -2.1
+  274.1555 H26N4O12- 5 274.1553 0.82
+  281.1248 C11H21O8- 3 281.1242 2.04
+  283.1762 C12H27O7- 5 283.1762 0.08
+  291.1099 C13H15N4O4- 6 291.1099 -0.01
+  309.1199 C12H11N11- 5 309.1204 -1.85
+  323.2084 CH33N5O13- 7 323.208 1.1
+PK$NUM_PEAK: 50
+PK$PEAK: m/z int. rel.int.
+  135.0563 98269.1 47
+  137.0719 46768.4 22
+  138.0672 140410.6 67
+  139.0511 566135.1 273
+  140.0832 117441.7 56
+  141.0669 145560.2 70
+  144.0661 111246.9 53
+  145.0618 43416.9 20
+  149.072 47649.7 22
+  151.0512 147245 71
+  153.0666 2070831.2 999
+  155.0462 174623 84
+  155.0822 183684.1 88
+  156.0781 176918.1 85
+  157.0618 37365.2 18
+  163.0509 171682.8 82
+  165.0663 87968.7 42
+  167.0456 213900.7 103
+  167.0822 61006.7 29
+  168.0779 132329.3 63
+  169.0979 479025.3 231
+  170.0928 202597.5 97
+  178.0616 186635.6 90
+  179.0457 154230.2 74
+  180.0774 41572.3 20
+  181.1349 125553.6 60
+  183.1499 27934.6 13
+  185.0562 41170.9 19
+  193.0616 28532.3 13
+  193.0975 52171 25
+  194.0569 53219.5 25
+  200.0709 116045.9 55
+  203.0828 33497.3 16
+  209.1035 71026.7 34
+  209.129 235305.1 113
+  211.0718 96481.7 46
+  217.098 146974.1 70
+  224.1392 46707 22
+  226.1555 1897129.6 915
+  240.1709 105974.5 51
+  250.1191 77694.5 37
+  256.1446 142079.2 68
+  263.1151 91999.5 44
+  264.0984 235457.8 113
+  274.1555 195357.9 94
+  281.1248 483966.6 233
+  283.1762 177054 85
+  291.1099 188783.7 91
+  309.1199 239429.2 115
+  323.2084 152664.2 73
+//
diff --git a/Eawag/MSBNK-EAWAG-ED017457.txt b/Eawag/MSBNK-EAWAG-ED017457.txt
new file mode 100644
index 0000000000..1c198ea73e
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED017457.txt
@@ -0,0 +1,132 @@
+ACCESSION: MSBNK-EAWAG-ED017457
+RECORD_TITLE: Portoamide D; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1073/pnas.0914343107
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 174
+CH$NAME: Portoamide D
+CH$NAME: 3-((6R,9S,15S,18R,20aS,25aS,34R,40aS,E)-18-((S)-sec-butyl)-12-ethylidene-37-hydroxy-9-((R)-1-hydroxyethyl)-15-(hydroxymethyl)-5,8,11,14,17,20,25,30,33,36,40-undecaoxo-6-phenethyl-38-(2,4,5-trihydroxy-7-methyloctyl)octatriacontahydro-1H,25H-tripyrrolo[1,2-b1:1`,2`-g:1``,2``-j][1,4,7,10,13,16,19,22,25,28,31]undecaazacyclotetratriacontin-34-yl)propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C61H94N12O18
+CH$EXACT_MASS: 1282.680904
+CH$SMILES: O=C([C@@H](CCC(N)=O)NC1=O)NCC(N2[C@@H](CCC2)C(N3[C@@H](CCC3)C(N[C@H]([C@@H](C)CC)C(N[C@@H](CO)C(N/C(C(N[C@@H]([C@@H](C)O)C(N[C@H](CCC4=CC=CC=C4)C(N5[C@@H](CCC5)C(NC(CC(O)CC(O)C(O)CC(C)C)C1O)=O)=O)=O)=O)=C/C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C61H94N12O18/c1-7-33(5)49-57(87)68-41(31-74)54(84)64-37(8-2)53(83)70-50(34(6)75)58(88)66-39(21-20-35-15-10-9-11-16-35)60(90)72-25-12-17-42(72)55(85)67-40(28-36(76)29-46(78)45(77)27-32(3)4)51(81)59(89)65-38(22-23-47(62)79)52(82)63-30-48(80)71-24-14-19-44(71)61(91)73-26-13-18-43(73)56(86)69-49/h8-11,15-16,32-34,36,38-46,49-51,74-78,81H,7,12-14,17-31H2,1-6H3,(H2,62,79)(H,63,82)(H,64,84)(H,65,89)(H,66,88)(H,67,85)(H,68,87)(H,69,86)(H,70,83)/b37-8+/t33-,34+,36?,38+,39+,40?,41-,42-,43-,44-,45?,46?,49+,50-,51?/m0/s1
+CH$LINK: PUBCHEM CID:146683716
+CH$LINK: INCHIKEY OCPKVHKLLYWOOG-FIAGRJNLSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 132-1328
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.741 min
+MS$FOCUSED_ION: BASE_PEAK 1327.6792
+MS$FOCUSED_ION: PRECURSOR_M/Z 1281.6736
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0udi-0930000000-0a94976bbc83178c2891
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  135.0565 C7H7N2O- 1 135.0564 0.5
+  136.1129 C9H14N- 1 136.1132 -2.31
+  137.0718 C7H9N2O- 1 137.072 -1.57
+  138.0557 C7H8NO2- 1 138.0561 -2.44
+  138.0673 C6H8N3O- 1 138.0673 0.41
+  139.0513 C6H7N2O2- 1 139.0513 -0.03
+  139.0874 C7H11N2O- 1 139.0877 -1.74
+  140.0351 C6H6NO3- 1 140.0353 -1.89
+  140.0828 C6H10N3O- 1 140.0829 -0.78
+  141.067 C6H9N2O2- 1 141.067 0.08
+  144.0662 C6H10NO3- 1 144.0666 -2.99
+  147.0564 C8H7N2O- 1 147.0564 -0.05
+  149.0719 C8H9N2O- 1 149.072 -1.18
+  151.0147 C6H3N2O3- 1 151.0149 -1.37
+  152.0589 C7H8N2O2- 1 152.0591 -1.59
+  153.0667 C7H9N2O2- 1 153.067 -1.34
+  155.0825 C7H11N2O2- 1 155.0826 -0.96
+  163.0514 C8H7N2O2- 1 163.0513 0.77
+  165.0666 C8H9N2O2- 1 165.067 -2.12
+  166.0623 C7H8N3O2- 1 166.0622 0.44
+  167.0457 C7H7N2O3- 1 167.0462 -2.87
+  168.0781 C7H10N3O2- 1 168.0779 1.6
+  169.0983 C8H13N2O2- 1 169.0983 0.36
+  170.0929 C7H12N3O2- 2 170.0935 -3.34
+  176.0458 C6H4N6O- 2 176.0452 3.65
+  178.0619 C8H8N3O2- 1 178.0622 -1.76
+  179.0458 C8H7N2O3- 1 179.0462 -2.08
+  181.1342 C10H17N2O- 2 181.1346 -2.62
+  191.1184 C11H15N2O- 2 191.119 -3.15
+  192.0772 C9H10N3O2- 2 192.0779 -3.23
+  199.0874 C12H11N2O- 1 199.0877 -1.64
+  200.0712 C12H10NO2- 2 200.0717 -2.51
+  208.1451 C11H18N3O- 2 208.1455 -2.06
+  209.1036 C8H17O6- 3 209.1031 2.65
+  209.1295 C11H17N2O2- 1 209.1296 -0.41
+  210.088 C9H12N3O3- 2 210.0884 -1.87
+  215.0819 C12H11N2O2- 2 215.0826 -3.12
+  217.0977 C12H13N2O2- 2 217.0983 -2.38
+  226.1556 C11H20N3O2- 2 226.1561 -2.27
+  239.1177 C13H13N5- 2 239.1176 0.22
+  240.1706 C12H22N3O2- 2 240.1718 -4.85
+  264.099 C12H14N3O4- 3 264.099 0.21
+  274.1561 C15H20N3O2- 5 274.1561 0.13
+  281.1248 C11H21O8- 3 281.1242 2.15
+  283.1775 C12H27O7- 4 283.1762 4.39
+PK$NUM_PEAK: 45
+PK$PEAK: m/z int. rel.int.
+  135.0565 95704 45
+  136.1129 29227.8 13
+  137.0718 52120.1 24
+  138.0557 45000.7 21
+  138.0673 175887.2 84
+  139.0513 473338.3 226
+  139.0874 66067 31
+  140.0351 84415.1 40
+  140.0828 94913.9 45
+  141.067 100993.5 48
+  144.0662 37714.5 18
+  147.0564 23908.3 11
+  149.0719 47071.5 22
+  151.0147 34331.9 16
+  152.0589 22186.1 10
+  153.0667 2087149.8 999
+  155.0825 148696.3 71
+  163.0514 165673.1 79
+  165.0666 90956.9 43
+  166.0623 54465.6 26
+  167.0457 112079.4 53
+  168.0781 71562.7 34
+  169.0983 294634.4 141
+  170.0929 167828.4 80
+  176.0458 33406.6 15
+  178.0619 131808.2 63
+  179.0458 149992.4 71
+  181.1342 187125 89
+  191.1184 53186.2 25
+  192.0772 34558.9 16
+  199.0874 42584.5 20
+  200.0712 54903.9 26
+  208.1451 132294.4 63
+  209.1036 98797.6 47
+  209.1295 170936.3 81
+  210.088 143000.9 68
+  215.0819 47195 22
+  217.0977 94915.4 45
+  226.1556 833121.2 398
+  239.1177 33993.8 16
+  240.1706 60129.9 28
+  264.099 115380.2 55
+  274.1561 122652.6 58
+  281.1248 204091.4 97
+  283.1775 46626.6 22
+//
diff --git a/Eawag/MSBNK-EAWAG-ED017458.txt b/Eawag/MSBNK-EAWAG-ED017458.txt
new file mode 100644
index 0000000000..43004ba0db
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED017458.txt
@@ -0,0 +1,118 @@
+ACCESSION: MSBNK-EAWAG-ED017458
+RECORD_TITLE: Portoamide D; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1073/pnas.0914343107
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 174
+CH$NAME: Portoamide D
+CH$NAME: 3-((6R,9S,15S,18R,20aS,25aS,34R,40aS,E)-18-((S)-sec-butyl)-12-ethylidene-37-hydroxy-9-((R)-1-hydroxyethyl)-15-(hydroxymethyl)-5,8,11,14,17,20,25,30,33,36,40-undecaoxo-6-phenethyl-38-(2,4,5-trihydroxy-7-methyloctyl)octatriacontahydro-1H,25H-tripyrrolo[1,2-b1:1`,2`-g:1``,2``-j][1,4,7,10,13,16,19,22,25,28,31]undecaazacyclotetratriacontin-34-yl)propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C61H94N12O18
+CH$EXACT_MASS: 1282.680904
+CH$SMILES: O=C([C@@H](CCC(N)=O)NC1=O)NCC(N2[C@@H](CCC2)C(N3[C@@H](CCC3)C(N[C@H]([C@@H](C)CC)C(N[C@@H](CO)C(N/C(C(N[C@@H]([C@@H](C)O)C(N[C@H](CCC4=CC=CC=C4)C(N5[C@@H](CCC5)C(NC(CC(O)CC(O)C(O)CC(C)C)C1O)=O)=O)=O)=O)=C/C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C61H94N12O18/c1-7-33(5)49-57(87)68-41(31-74)54(84)64-37(8-2)53(83)70-50(34(6)75)58(88)66-39(21-20-35-15-10-9-11-16-35)60(90)72-25-12-17-42(72)55(85)67-40(28-36(76)29-46(78)45(77)27-32(3)4)51(81)59(89)65-38(22-23-47(62)79)52(82)63-30-48(80)71-24-14-19-44(71)61(91)73-26-13-18-43(73)56(86)69-49/h8-11,15-16,32-34,36,38-46,49-51,74-78,81H,7,12-14,17-31H2,1-6H3,(H2,62,79)(H,63,82)(H,64,84)(H,65,89)(H,66,88)(H,67,85)(H,68,87)(H,69,86)(H,70,83)/b37-8+/t33-,34+,36?,38+,39+,40?,41-,42-,43-,44-,45?,46?,49+,50-,51?/m0/s1
+CH$LINK: PUBCHEM CID:146683716
+CH$LINK: INCHIKEY OCPKVHKLLYWOOG-FIAGRJNLSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 132-1328
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.741 min
+MS$FOCUSED_ION: BASE_PEAK 1327.6792
+MS$FOCUSED_ION: PRECURSOR_M/Z 1281.6736
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0udi-0910000000-ed17603c704472437102
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  135.0561 C7H7N2O- 1 135.0564 -1.99
+  136.1131 C9H14N- 1 136.1132 -0.63
+  137.0355 C6H5N2O2- 1 137.0357 -1.29
+  138.0556 C7H8NO2- 1 138.0561 -3.1
+  138.0672 C6H8N3O- 1 138.0673 -0.91
+  139.0512 C6H7N2O2- 1 139.0513 -1.02
+  139.0874 C7H11N2O- 1 139.0877 -1.74
+  140.0356 C6H6NO3- 1 140.0353 1.7
+  140.0827 C6H10N3O- 1 140.0829 -1.65
+  141.0669 C6H9N2O2- 1 141.067 -0.35
+  143.119 C7H15N2O- 1 143.119 -0.19
+  147.0561 C8H7N2O- 1 147.0564 -2.02
+  151.0513 C7H7N2O2- 1 151.0513 -0.11
+  151.0881 C8H11N2O- 1 151.0877 2.96
+  152.0589 C7H8N2O2- 1 152.0591 -1.49
+  152.0829 C7H10N3O- 1 152.0829 -0.42
+  153.0667 C7H9N2O2- 1 153.067 -1.84
+  155.0821 C7H11N2O2- 1 155.0826 -3.03
+  163.0516 C8H7N2O2- 1 163.0513 1.79
+  165.0662 C8H9N2O2- 2 165.067 -4.43
+  167.0457 C7H7N2O3- 2 167.0462 -3.33
+  167.0825 C8H11N2O2- 1 167.0826 -0.55
+  168.0777 C7H10N3O2- 1 168.0779 -0.67
+  169.0985 C8H13N2O2- 1 169.0983 1.44
+  170.0929 C7H12N3O2- 2 170.0935 -3.79
+  177.1029 C10H13N2O- 1 177.1033 -2.24
+  178.0617 C8H8N3O2- 2 178.0622 -2.7
+  179.046 C8H7N2O3- 1 179.0462 -1.32
+  181.1343 C10H17N2O- 1 181.1346 -2.11
+  189.1025 C11H13N2O- 2 189.1033 -4.66
+  208.1447 C11H18N3O- 2 208.1455 -4.12
+  209.104 C9H13N4O2- 3 209.1044 -1.77
+  209.1292 C11H17N2O2- 2 209.1296 -1.58
+  210.0877 C9H12N3O3- 2 210.0884 -3.62
+  215.0818 C12H11N2O2- 2 215.0826 -3.9
+  226.1556 C11H20N3O2- 2 226.1561 -2.06
+  240.1716 C12H22N3O2- 1 240.1718 -0.53
+  274.1558 C15H20N3O2- 5 274.1561 -1.2
+PK$NUM_PEAK: 38
+PK$PEAK: m/z int. rel.int.
+  135.0561 88876.4 49
+  136.1131 24926.7 13
+  137.0355 25984.9 14
+  138.0556 42827.6 23
+  138.0672 143191.9 79
+  139.0512 319305.9 177
+  139.0874 68913.8 38
+  140.0356 44790.3 24
+  140.0827 41105.3 22
+  141.0669 71427.2 39
+  143.119 26865.7 14
+  147.0561 27170.1 15
+  151.0513 81511.1 45
+  151.0881 50404.6 28
+  152.0589 28906.5 16
+  152.0829 115397.2 64
+  153.0667 1792560 999
+  155.0821 101953.5 56
+  163.0516 119924.4 66
+  165.0662 73226.7 40
+  167.0457 38325.3 21
+  167.0825 41413.3 23
+  168.0777 46241.2 25
+  169.0985 171368.4 95
+  170.0929 87352.4 48
+  177.1029 27615.4 15
+  178.0617 71938.7 40
+  179.046 106088.7 59
+  181.1343 141679.5 78
+  189.1025 31928.6 17
+  208.1447 76253.6 42
+  209.104 53916.7 30
+  209.1292 104926.2 58
+  210.0877 101054.6 56
+  215.0818 33968.9 18
+  226.1556 283273.1 157
+  240.1716 19222.7 10
+  274.1558 42862.8 23
+//
diff --git a/Eawag/MSBNK-EAWAG-ED017459.txt b/Eawag/MSBNK-EAWAG-ED017459.txt
new file mode 100644
index 0000000000..3f47858108
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED017459.txt
@@ -0,0 +1,76 @@
+ACCESSION: MSBNK-EAWAG-ED017459
+RECORD_TITLE: Portoamide D; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1073/pnas.0914343107
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 174
+CH$NAME: Portoamide D
+CH$NAME: 3-((6R,9S,15S,18R,20aS,25aS,34R,40aS,E)-18-((S)-sec-butyl)-12-ethylidene-37-hydroxy-9-((R)-1-hydroxyethyl)-15-(hydroxymethyl)-5,8,11,14,17,20,25,30,33,36,40-undecaoxo-6-phenethyl-38-(2,4,5-trihydroxy-7-methyloctyl)octatriacontahydro-1H,25H-tripyrrolo[1,2-b1:1`,2`-g:1``,2``-j][1,4,7,10,13,16,19,22,25,28,31]undecaazacyclotetratriacontin-34-yl)propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C61H94N12O18
+CH$EXACT_MASS: 1282.680904
+CH$SMILES: O=C([C@@H](CCC(N)=O)NC1=O)NCC(N2[C@@H](CCC2)C(N3[C@@H](CCC3)C(N[C@H]([C@@H](C)CC)C(N[C@@H](CO)C(N/C(C(N[C@@H]([C@@H](C)O)C(N[C@H](CCC4=CC=CC=C4)C(N5[C@@H](CCC5)C(NC(CC(O)CC(O)C(O)CC(C)C)C1O)=O)=O)=O)=O)=C/C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C61H94N12O18/c1-7-33(5)49-57(87)68-41(31-74)54(84)64-37(8-2)53(83)70-50(34(6)75)58(88)66-39(21-20-35-15-10-9-11-16-35)60(90)72-25-12-17-42(72)55(85)67-40(28-36(76)29-46(78)45(77)27-32(3)4)51(81)59(89)65-38(22-23-47(62)79)52(82)63-30-48(80)71-24-14-19-44(71)61(91)73-26-13-18-43(73)56(86)69-49/h8-11,15-16,32-34,36,38-46,49-51,74-78,81H,7,12-14,17-31H2,1-6H3,(H2,62,79)(H,63,82)(H,64,84)(H,65,89)(H,66,88)(H,67,85)(H,68,87)(H,69,86)(H,70,83)/b37-8+/t33-,34+,36?,38+,39+,40?,41-,42-,43-,44-,45?,46?,49+,50-,51?/m0/s1
+CH$LINK: PUBCHEM CID:146683716
+CH$LINK: INCHIKEY OCPKVHKLLYWOOG-FIAGRJNLSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 132-1328
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.741 min
+MS$FOCUSED_ION: BASE_PEAK 1327.6792
+MS$FOCUSED_ION: PRECURSOR_M/Z 1281.6736
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0udi-0900000000-acf36547f987e77a85bd
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  135.0202 C6H3N2O2- 1 135.02 1.13
+  135.0563 C7H7N2O- 1 135.0564 -0.3
+  138.0559 C7H8NO2- 1 138.0561 -1.11
+  138.0676 C6H8N3O- 1 138.0673 1.96
+  139.0512 C6H7N2O2- 1 139.0513 -0.47
+  139.0876 C7H11N2O- 1 139.0877 -0.86
+  151.075 C7H9N3O- 1 151.0751 -0.76
+  151.0879 C8H11N2O- 1 151.0877 1.54
+  152.0588 C7H8N2O2- 1 152.0591 -2.09
+  152.0829 C7H10N3O- 1 152.0829 -0.32
+  153.0668 C7H9N2O2- 1 153.067 -1.14
+  165.0668 C8H9N2O2- 1 165.067 -0.82
+  170.0936 C7H12N3O2- 1 170.0935 0.34
+  178.0622 C8H8N3O2- 1 178.0622 0.12
+  179.0458 C8H7N2O3- 1 179.0462 -2.08
+  181.1339 C10H17N2O- 2 181.1346 -4.3
+  226.1557 C11H20N3O2- 2 226.1561 -1.93
+PK$NUM_PEAK: 17
+PK$PEAK: m/z int. rel.int.
+  135.0202 24258.2 21
+  135.0563 67253.9 59
+  138.0559 39299.4 34
+  138.0676 103051.4 91
+  139.0512 211025.7 187
+  139.0876 56371 50
+  151.075 22588.1 20
+  151.0879 27049.7 23
+  152.0588 26116.4 23
+  152.0829 74552.9 66
+  153.0668 1126290.9 999
+  165.0668 66948.9 59
+  170.0936 33836.5 30
+  178.0622 36921.6 32
+  179.0458 73987.2 65
+  181.1339 75189.4 66
+  226.1557 76882.6 68
+//
diff --git a/Eawag/MSBNK-EAWAG-ED026001.txt b/Eawag/MSBNK-EAWAG-ED026001.txt
new file mode 100644
index 0000000000..4218d20212
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED026001.txt
@@ -0,0 +1,49 @@
+ACCESSION: MSBNK-EAWAG-ED026001
+RECORD_TITLE: Muscoride B; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], D. Fewer [dtc], J. Jokela [dtc], M. Wahlsten [dtc], T. Shishido [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 260
+CH$NAME: Muscoride B
+CH$NAME: 3-methylbut-2-enyl 2-[5-methyl-2-[2-[(2S)-1-[(2S,3S)-3-methyl-2-(3-methylbut-2-enylamino)pentanoyl]pyrrolidin-2-yl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H41N5O6
+CH$EXACT_MASS: 579.305684
+CH$SMILES: O=C([C@@H](NC/C=C(C)\C)[C@H](CC)C)N1CCC[C@H]1C2=NC(C3=NC(C4=NC(C(OC/C=C(C)/C)=O)=CO4)=C(O3)C)=CO2
+CH$IUPAC: InChI=1S/C31H41N5O6/c1-8-20(6)25(32-13-11-18(2)3)30(37)36-14-9-10-24(36)28-33-22(16-40-28)27-35-26(21(7)42-27)29-34-23(17-41-29)31(38)39-15-12-19(4)5/h11-12,16-17,20,24-25,32H,8-10,13-15H2,1-7H3/t20-,24-,25-/m0/s1
+CH$LINK: PUBCHEM CID:146682347
+CH$LINK: INCHIKEY RYLVRVUEEVJKJO-OPXMRZJTSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 61-613
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.849 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 580.313
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-01q9-0000090000-c02273525400d195bddc
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  444.1879 C21H26N5O6+ 1 444.1878 0.35
+  512.2503 C26H34N5O6+ 1 512.2504 -0.08
+  524.2522 C27H34N5O6+ 1 524.2504 3.54
+  580.313 C31H42N5O6+ 1 580.313 0.11
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  444.1879 75179.6 25
+  512.2503 2646580.2 889
+  524.2522 62698 21
+  580.313 2973280.2 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED026002.txt b/Eawag/MSBNK-EAWAG-ED026002.txt
new file mode 100644
index 0000000000..3de439cc1b
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED026002.txt
@@ -0,0 +1,55 @@
+ACCESSION: MSBNK-EAWAG-ED026002
+RECORD_TITLE: Muscoride B; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], D. Fewer [dtc], J. Jokela [dtc], M. Wahlsten [dtc], T. Shishido [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 260
+CH$NAME: Muscoride B
+CH$NAME: 3-methylbut-2-enyl 2-[5-methyl-2-[2-[(2S)-1-[(2S,3S)-3-methyl-2-(3-methylbut-2-enylamino)pentanoyl]pyrrolidin-2-yl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H41N5O6
+CH$EXACT_MASS: 579.305684
+CH$SMILES: O=C([C@@H](NC/C=C(C)\C)[C@H](CC)C)N1CCC[C@H]1C2=NC(C3=NC(C4=NC(C(OC/C=C(C)/C)=O)=CO4)=C(O3)C)=CO2
+CH$IUPAC: InChI=1S/C31H41N5O6/c1-8-20(6)25(32-13-11-18(2)3)30(37)36-14-9-10-24(36)28-33-22(16-40-28)27-35-26(21(7)42-27)29-34-23(17-41-29)31(38)39-15-12-19(4)5/h11-12,16-17,20,24-25,32H,8-10,13-15H2,1-7H3/t20-,24-,25-/m0/s1
+CH$LINK: PUBCHEM CID:146682347
+CH$LINK: INCHIKEY RYLVRVUEEVJKJO-OPXMRZJTSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 61-613
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.849 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 580.313
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-03di-0000190000-a4e8ede318e684cc87a8
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  70.0651 C4H8N+ 1 70.0651 -0.83
+  154.1587 C10H20N+ 1 154.159 -1.95
+  331.1037 C15H15N4O5+ 2 331.1037 0.12
+  399.1655 C20H23N4O5+ 1 399.1663 -2.1
+  444.1879 C21H26N5O6+ 1 444.1878 0.21
+  512.2502 C26H34N5O6+ 1 512.2504 -0.32
+  580.3127 C31H42N5O6+ 1 580.313 -0.53
+PK$NUM_PEAK: 7
+PK$PEAK: m/z int. rel.int.
+  70.0651 44101.7 12
+  154.1587 76065.6 22
+  331.1037 325245.4 94
+  399.1655 87552.4 25
+  444.1879 631085.9 182
+  512.2502 3447720.5 999
+  580.3127 479861 139
+//
diff --git a/Eawag/MSBNK-EAWAG-ED026003.txt b/Eawag/MSBNK-EAWAG-ED026003.txt
new file mode 100644
index 0000000000..36eafc859a
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED026003.txt
@@ -0,0 +1,59 @@
+ACCESSION: MSBNK-EAWAG-ED026003
+RECORD_TITLE: Muscoride B; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], D. Fewer [dtc], J. Jokela [dtc], M. Wahlsten [dtc], T. Shishido [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 260
+CH$NAME: Muscoride B
+CH$NAME: 3-methylbut-2-enyl 2-[5-methyl-2-[2-[(2S)-1-[(2S,3S)-3-methyl-2-(3-methylbut-2-enylamino)pentanoyl]pyrrolidin-2-yl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H41N5O6
+CH$EXACT_MASS: 579.305684
+CH$SMILES: O=C([C@@H](NC/C=C(C)\C)[C@H](CC)C)N1CCC[C@H]1C2=NC(C3=NC(C4=NC(C(OC/C=C(C)/C)=O)=CO4)=C(O3)C)=CO2
+CH$IUPAC: InChI=1S/C31H41N5O6/c1-8-20(6)25(32-13-11-18(2)3)30(37)36-14-9-10-24(36)28-33-22(16-40-28)27-35-26(21(7)42-27)29-34-23(17-41-29)31(38)39-15-12-19(4)5/h11-12,16-17,20,24-25,32H,8-10,13-15H2,1-7H3/t20-,24-,25-/m0/s1
+CH$LINK: PUBCHEM CID:146682347
+CH$LINK: INCHIKEY RYLVRVUEEVJKJO-OPXMRZJTSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 61-613
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.849 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 580.313
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-03ec-3006590000-76cbfe8c12c11ae5509e
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  69.0698 C5H9+ 1 69.0699 -0.62
+  70.0651 C4H8N+ 1 70.0651 -0.07
+  86.0964 C5H12N+ 1 86.0964 0.06
+  154.1589 C10H20N+ 1 154.159 -0.66
+  331.1038 C15H15N4O5+ 2 331.1037 0.21
+  399.1662 C20H23N4O5+ 2 399.1663 -0.26
+  411.166 C21H23N4O5+ 2 411.1663 -0.78
+  444.1878 C21H26N5O6+ 1 444.1878 0.07
+  512.2504 C26H34N5O6+ 1 512.2504 0.04
+PK$NUM_PEAK: 9
+PK$PEAK: m/z int. rel.int.
+  69.0698 145669 77
+  70.0651 397042.5 211
+  86.0964 155821.5 82
+  154.1589 128396.2 68
+  331.1038 1301198.8 691
+  399.1662 134520.5 71
+  411.166 25081.4 13
+  444.1878 1192449.8 633
+  512.2504 1879505.2 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED026004.txt b/Eawag/MSBNK-EAWAG-ED026004.txt
new file mode 100644
index 0000000000..76e22043f0
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED026004.txt
@@ -0,0 +1,57 @@
+ACCESSION: MSBNK-EAWAG-ED026004
+RECORD_TITLE: Muscoride B; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], D. Fewer [dtc], J. Jokela [dtc], M. Wahlsten [dtc], T. Shishido [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 260
+CH$NAME: Muscoride B
+CH$NAME: 3-methylbut-2-enyl 2-[5-methyl-2-[2-[(2S)-1-[(2S,3S)-3-methyl-2-(3-methylbut-2-enylamino)pentanoyl]pyrrolidin-2-yl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H41N5O6
+CH$EXACT_MASS: 579.305684
+CH$SMILES: O=C([C@@H](NC/C=C(C)\C)[C@H](CC)C)N1CCC[C@H]1C2=NC(C3=NC(C4=NC(C(OC/C=C(C)/C)=O)=CO4)=C(O3)C)=CO2
+CH$IUPAC: InChI=1S/C31H41N5O6/c1-8-20(6)25(32-13-11-18(2)3)30(37)36-14-9-10-24(36)28-33-22(16-40-28)27-35-26(21(7)42-27)29-34-23(17-41-29)31(38)39-15-12-19(4)5/h11-12,16-17,20,24-25,32H,8-10,13-15H2,1-7H3/t20-,24-,25-/m0/s1
+CH$LINK: PUBCHEM CID:146682347
+CH$LINK: INCHIKEY RYLVRVUEEVJKJO-OPXMRZJTSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 61-613
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.849 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 580.313
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0089-9016210000-707bfa021d9a0aa5da60
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  69.0699 C5H9+ 1 69.0699 0.48
+  70.0651 C4H8N+ 1 70.0651 0.25
+  86.0964 C5H12N+ 1 86.0964 0.06
+  154.1589 C10H20N+ 1 154.159 -0.66
+  262.0459 C11H8N3O5+ 2 262.0458 0.34
+  331.1039 C15H15N4O5+ 2 331.1037 0.67
+  444.1878 C21H26N5O6+ 1 444.1878 0.14
+  512.2507 C26H34N5O6+ 1 512.2504 0.63
+PK$NUM_PEAK: 8
+PK$PEAK: m/z int. rel.int.
+  69.0699 295450.9 206
+  70.0651 1310915.1 917
+  86.0964 372684.9 260
+  154.1589 140587 98
+  262.0459 312084.4 218
+  331.1039 1426613.4 999
+  444.1878 651433.8 456
+  512.2507 348780.4 244
+//
diff --git a/Eawag/MSBNK-EAWAG-ED026005.txt b/Eawag/MSBNK-EAWAG-ED026005.txt
new file mode 100644
index 0000000000..38101a43a7
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED026005.txt
@@ -0,0 +1,55 @@
+ACCESSION: MSBNK-EAWAG-ED026005
+RECORD_TITLE: Muscoride B; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], D. Fewer [dtc], J. Jokela [dtc], M. Wahlsten [dtc], T. Shishido [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 260
+CH$NAME: Muscoride B
+CH$NAME: 3-methylbut-2-enyl 2-[5-methyl-2-[2-[(2S)-1-[(2S,3S)-3-methyl-2-(3-methylbut-2-enylamino)pentanoyl]pyrrolidin-2-yl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H41N5O6
+CH$EXACT_MASS: 579.305684
+CH$SMILES: O=C([C@@H](NC/C=C(C)\C)[C@H](CC)C)N1CCC[C@H]1C2=NC(C3=NC(C4=NC(C(OC/C=C(C)/C)=O)=CO4)=C(O3)C)=CO2
+CH$IUPAC: InChI=1S/C31H41N5O6/c1-8-20(6)25(32-13-11-18(2)3)30(37)36-14-9-10-24(36)28-33-22(16-40-28)27-35-26(21(7)42-27)29-34-23(17-41-29)31(38)39-15-12-19(4)5/h11-12,16-17,20,24-25,32H,8-10,13-15H2,1-7H3/t20-,24-,25-/m0/s1
+CH$LINK: PUBCHEM CID:146682347
+CH$LINK: INCHIKEY RYLVRVUEEVJKJO-OPXMRZJTSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 61-613
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.849 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 580.313
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-00di-9010000000-41f9cdcd6534572df3dc
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  69.0699 C5H9+ 1 69.0699 0.26
+  70.0651 C4H8N+ 1 70.0651 0.04
+  86.0964 C5H12N+ 1 86.0964 -0.21
+  154.159 C10H20N+ 1 154.159 -0.37
+  262.0461 C11H8N3O5+ 2 262.0458 0.8
+  331.1043 C15H15N4O5+ 2 331.1037 1.69
+  343.1042 C16H15N4O5+ 2 343.1037 1.45
+PK$NUM_PEAK: 7
+PK$PEAK: m/z int. rel.int.
+  69.0699 459721.6 207
+  70.0651 2217180.5 999
+  86.0964 672781.9 303
+  154.159 79885.3 35
+  262.0461 628088.1 282
+  331.1043 187500.3 84
+  343.1042 27546.3 12
+//
diff --git a/Eawag/MSBNK-EAWAG-ED026006.txt b/Eawag/MSBNK-EAWAG-ED026006.txt
new file mode 100644
index 0000000000..87a89a9984
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED026006.txt
@@ -0,0 +1,49 @@
+ACCESSION: MSBNK-EAWAG-ED026006
+RECORD_TITLE: Muscoride B; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], D. Fewer [dtc], J. Jokela [dtc], M. Wahlsten [dtc], T. Shishido [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 260
+CH$NAME: Muscoride B
+CH$NAME: 3-methylbut-2-enyl 2-[5-methyl-2-[2-[(2S)-1-[(2S,3S)-3-methyl-2-(3-methylbut-2-enylamino)pentanoyl]pyrrolidin-2-yl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H41N5O6
+CH$EXACT_MASS: 579.305684
+CH$SMILES: O=C([C@@H](NC/C=C(C)\C)[C@H](CC)C)N1CCC[C@H]1C2=NC(C3=NC(C4=NC(C(OC/C=C(C)/C)=O)=CO4)=C(O3)C)=CO2
+CH$IUPAC: InChI=1S/C31H41N5O6/c1-8-20(6)25(32-13-11-18(2)3)30(37)36-14-9-10-24(36)28-33-22(16-40-28)27-35-26(21(7)42-27)29-34-23(17-41-29)31(38)39-15-12-19(4)5/h11-12,16-17,20,24-25,32H,8-10,13-15H2,1-7H3/t20-,24-,25-/m0/s1
+CH$LINK: PUBCHEM CID:146682347
+CH$LINK: INCHIKEY RYLVRVUEEVJKJO-OPXMRZJTSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 61-613
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.849 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 580.313
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-00di-9010000000-2d4bb6ec7c8a661048ec
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  69.0699 C5H9+ 1 69.0699 0.15
+  70.0651 C4H8N+ 1 70.0651 0.04
+  86.0964 C5H12N+ 1 86.0964 -0.21
+  262.0462 C11H8N3O5+ 2 262.0458 1.27
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  69.0699 529943.9 291
+  70.0651 1817752.4 999
+  86.0964 655811.1 360
+  262.0462 600355.6 329
+//
diff --git a/Eawag/MSBNK-EAWAG-ED026007.txt b/Eawag/MSBNK-EAWAG-ED026007.txt
new file mode 100644
index 0000000000..502ac039b2
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED026007.txt
@@ -0,0 +1,51 @@
+ACCESSION: MSBNK-EAWAG-ED026007
+RECORD_TITLE: Muscoride B; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], D. Fewer [dtc], J. Jokela [dtc], M. Wahlsten [dtc], T. Shishido [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 260
+CH$NAME: Muscoride B
+CH$NAME: 3-methylbut-2-enyl 2-[5-methyl-2-[2-[(2S)-1-[(2S,3S)-3-methyl-2-(3-methylbut-2-enylamino)pentanoyl]pyrrolidin-2-yl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H41N5O6
+CH$EXACT_MASS: 579.305684
+CH$SMILES: O=C([C@@H](NC/C=C(C)\C)[C@H](CC)C)N1CCC[C@H]1C2=NC(C3=NC(C4=NC(C(OC/C=C(C)/C)=O)=CO4)=C(O3)C)=CO2
+CH$IUPAC: InChI=1S/C31H41N5O6/c1-8-20(6)25(32-13-11-18(2)3)30(37)36-14-9-10-24(36)28-33-22(16-40-28)27-35-26(21(7)42-27)29-34-23(17-41-29)31(38)39-15-12-19(4)5/h11-12,16-17,20,24-25,32H,8-10,13-15H2,1-7H3/t20-,24-,25-/m0/s1
+CH$LINK: PUBCHEM CID:146682347
+CH$LINK: INCHIKEY RYLVRVUEEVJKJO-OPXMRZJTSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 61-613
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.849 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 580.313
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-00di-9010000000-75b9ae28c875b06c364d
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  69.0698 C5H9+ 1 69.0699 -0.51
+  70.0651 C4H8N+ 1 70.0651 -0.4
+  86.0964 C5H12N+ 1 86.0964 -0.74
+  188.0451 C9H6N3O2+ 1 188.0455 -2.12
+  262.0459 C11H8N3O5+ 2 262.0458 0.22
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  69.0698 498005.5 310
+  70.0651 1599878.4 999
+  86.0964 570799.8 356
+  188.0451 47308.3 29
+  262.0459 581853.2 363
+//
diff --git a/Eawag/MSBNK-EAWAG-ED026008.txt b/Eawag/MSBNK-EAWAG-ED026008.txt
new file mode 100644
index 0000000000..2b1a03bd5a
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED026008.txt
@@ -0,0 +1,51 @@
+ACCESSION: MSBNK-EAWAG-ED026008
+RECORD_TITLE: Muscoride B; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], D. Fewer [dtc], J. Jokela [dtc], M. Wahlsten [dtc], T. Shishido [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 260
+CH$NAME: Muscoride B
+CH$NAME: 3-methylbut-2-enyl 2-[5-methyl-2-[2-[(2S)-1-[(2S,3S)-3-methyl-2-(3-methylbut-2-enylamino)pentanoyl]pyrrolidin-2-yl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H41N5O6
+CH$EXACT_MASS: 579.305684
+CH$SMILES: O=C([C@@H](NC/C=C(C)\C)[C@H](CC)C)N1CCC[C@H]1C2=NC(C3=NC(C4=NC(C(OC/C=C(C)/C)=O)=CO4)=C(O3)C)=CO2
+CH$IUPAC: InChI=1S/C31H41N5O6/c1-8-20(6)25(32-13-11-18(2)3)30(37)36-14-9-10-24(36)28-33-22(16-40-28)27-35-26(21(7)42-27)29-34-23(17-41-29)31(38)39-15-12-19(4)5/h11-12,16-17,20,24-25,32H,8-10,13-15H2,1-7H3/t20-,24-,25-/m0/s1
+CH$LINK: PUBCHEM CID:146682347
+CH$LINK: INCHIKEY RYLVRVUEEVJKJO-OPXMRZJTSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 61-613
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.849 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 580.313
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-00di-9010000000-958afd05697b1d469427
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  69.0698 C5H9+ 1 69.0699 -0.62
+  70.0651 C4H8N+ 1 70.0651 -0.62
+  86.0964 C5H12N+ 1 86.0964 -0.74
+  188.0454 C9H6N3O2+ 1 188.0455 -0.42
+  262.046 C11H8N3O5+ 2 262.0458 0.57
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  69.0698 501580.1 343
+  70.0651 1460107.2 999
+  86.0964 430528.4 294
+  188.0454 141637.7 96
+  262.046 339378.1 232
+//
diff --git a/Eawag/MSBNK-EAWAG-ED026009.txt b/Eawag/MSBNK-EAWAG-ED026009.txt
new file mode 100644
index 0000000000..bc1d3a7bb7
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED026009.txt
@@ -0,0 +1,53 @@
+ACCESSION: MSBNK-EAWAG-ED026009
+RECORD_TITLE: Muscoride B; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], D. Fewer [dtc], J. Jokela [dtc], M. Wahlsten [dtc], T. Shishido [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 260
+CH$NAME: Muscoride B
+CH$NAME: 3-methylbut-2-enyl 2-[5-methyl-2-[2-[(2S)-1-[(2S,3S)-3-methyl-2-(3-methylbut-2-enylamino)pentanoyl]pyrrolidin-2-yl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H41N5O6
+CH$EXACT_MASS: 579.305684
+CH$SMILES: O=C([C@@H](NC/C=C(C)\C)[C@H](CC)C)N1CCC[C@H]1C2=NC(C3=NC(C4=NC(C(OC/C=C(C)/C)=O)=CO4)=C(O3)C)=CO2
+CH$IUPAC: InChI=1S/C31H41N5O6/c1-8-20(6)25(32-13-11-18(2)3)30(37)36-14-9-10-24(36)28-33-22(16-40-28)27-35-26(21(7)42-27)29-34-23(17-41-29)31(38)39-15-12-19(4)5/h11-12,16-17,20,24-25,32H,8-10,13-15H2,1-7H3/t20-,24-,25-/m0/s1
+CH$LINK: PUBCHEM CID:146682347
+CH$LINK: INCHIKEY RYLVRVUEEVJKJO-OPXMRZJTSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 61-613
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.849 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 580.313
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-00di-9000000000-018c804e19b3bc048510
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  69.0698 C5H9+ 1 69.0699 -0.51
+  70.0651 C4H8N+ 1 70.0651 -0.62
+  86.0964 C5H12N+ 1 86.0964 -0.65
+  95.0239 C4H3N2O+ 1 95.024 -0.52
+  188.0451 C9H6N3O2+ 1 188.0455 -1.72
+  216.0401 C10H6N3O3+ 1 216.0404 -1.3
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  69.0698 373186.6 316
+  70.0651 1177657 999
+  86.0964 262182.6 222
+  95.0239 42519.4 36
+  188.0451 179780.6 152
+  216.0401 33755.4 28
+//
diff --git a/Eawag/MSBNK-EAWAG-ED026601.txt b/Eawag/MSBNK-EAWAG-ED026601.txt
new file mode 100644
index 0000000000..b44cbb3c95
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED026601.txt
@@ -0,0 +1,74 @@
+ACCESSION: MSBNK-EAWAG-ED026601
+RECORD_TITLE: Anabaenolysin A; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], D. Fewer [dtc], J. Jokela [dtc], M. Wahlsten [dtc], T. Shishido [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://dx.plos.org/10.1371/journal.pone.0041222
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 266
+CH$NAME: Anabaenolysin A
+CH$NAME: 6,16-dihydroxy-7-((2E,4E,6E,10E,12E)-pentadeca-2,4,6,10,12-pentaen-1-yl)decahydro-2H-furo[3,2-l][1,4,7,11]tetraazacyclopentadecine-2,5,9,12,15(3H,6H)-pentaone
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C28H38N4O8
+CH$EXACT_MASS: 558.2689642
+CH$SMILES: OC(C(NC(CNC(CNC1=O)=O)=O)C/C=C/C=C/C=C/CC/C=C/C=C/CC)C(NC2CC(OC2C1O)=O)=O
+CH$IUPAC: InChI=1S/C28H38N4O8/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-24(36)28(39)32-20-16-23(35)40-26(20)25(37)27(38)30-17-21(33)29-18-22(34)31-19/h3-6,9-14,19-20,24-26,36-37H,2,7-8,15-18H2,1H3,(H,29,33)(H,30,38)(H,31,34)(H,32,39)/b4-3+,6-5+,10-9+,12-11+,14-13+
+CH$LINK: PUBCHEM CID:146683737
+CH$LINK: INCHIKEY XQWGCUIJOHQMPI-FLYMKIDMSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 59-591
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 12.851 min
+MS$FOCUSED_ION: BASE_PEAK 559.276
+MS$FOCUSED_ION: PRECURSOR_M/Z 559.2762
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0a4i-0011090000-89f8861a4bcd6e36c36e
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  95.0857 C7H11+ 1 95.0855 1.5
+  225.1648 C17H21+ 2 225.1638 4.33
+  230.191 C16H24N+ 1 230.1903 2.84
+  242.191 C17H24N+ 2 242.1903 2.76
+  253.159 C18H21O+ 1 253.1587 1.17
+  260.2013 C17H26NO+ 1 260.2009 1.58
+  272.0875 C10H14N3O6+ 1 272.0877 -0.7
+  397.1356 C16H21N4O8+ 1 397.1354 0.48
+  463.1817 C21H27N4O8+ 1 463.1823 -1.35
+  465.1982 C21H29N4O8+ 1 465.198 0.44
+  485.2302 C26H33N2O7+ 1 485.2282 4.14
+  513.2725 C27H37N4O6+ 1 513.2708 3.34
+  514.2542 C27H36N3O7+ 1 514.2548 -1.07
+  531.2815 C27H39N4O7+ 1 531.2813 0.35
+  541.2658 C28H37N4O7+ 1 541.2657 0.28
+  559.2763 C28H39N4O8+ 1 559.2762 0.16
+PK$NUM_PEAK: 16
+PK$PEAK: m/z int. rel.int.
+  95.0857 23613.9 12
+  225.1648 37859.3 19
+  230.191 20751.9 10
+  242.191 36936.1 19
+  253.159 234424 123
+  260.2013 59682.5 31
+  272.0875 39664.3 20
+  397.1356 322746.2 170
+  463.1817 21269.9 11
+  465.1982 155190.6 81
+  485.2302 29104.2 15
+  513.2725 80467 42
+  514.2542 35670.8 18
+  531.2815 215363.4 113
+  541.2658 305981.7 161
+  559.2763 1893608.6 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED026602.txt b/Eawag/MSBNK-EAWAG-ED026602.txt
new file mode 100644
index 0000000000..3b1889ebb8
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED026602.txt
@@ -0,0 +1,86 @@
+ACCESSION: MSBNK-EAWAG-ED026602
+RECORD_TITLE: Anabaenolysin A; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], D. Fewer [dtc], J. Jokela [dtc], M. Wahlsten [dtc], T. Shishido [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://dx.plos.org/10.1371/journal.pone.0041222
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 266
+CH$NAME: Anabaenolysin A
+CH$NAME: 6,16-dihydroxy-7-((2E,4E,6E,10E,12E)-pentadeca-2,4,6,10,12-pentaen-1-yl)decahydro-2H-furo[3,2-l][1,4,7,11]tetraazacyclopentadecine-2,5,9,12,15(3H,6H)-pentaone
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C28H38N4O8
+CH$EXACT_MASS: 558.2689642
+CH$SMILES: OC(C(NC(CNC(CNC1=O)=O)=O)C/C=C/C=C/C=C/CC/C=C/C=C/CC)C(NC2CC(OC2C1O)=O)=O
+CH$IUPAC: InChI=1S/C28H38N4O8/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-24(36)28(39)32-20-16-23(35)40-26(20)25(37)27(38)30-17-21(33)29-18-22(34)31-19/h3-6,9-14,19-20,24-26,36-37H,2,7-8,15-18H2,1H3,(H,29,33)(H,30,38)(H,31,34)(H,32,39)/b4-3+,6-5+,10-9+,12-11+,14-13+
+CH$LINK: PUBCHEM CID:146683737
+CH$LINK: INCHIKEY XQWGCUIJOHQMPI-FLYMKIDMSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 59-591
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 12.851 min
+MS$FOCUSED_ION: BASE_PEAK 559.276
+MS$FOCUSED_ION: PRECURSOR_M/Z 559.2762
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0a4i-0052190000-0e334f5a3178c6dba3f3
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  75.0554 C2H7N2O+ 1 75.0553 1.93
+  95.0856 C7H11+ 1 95.0855 0.3
+  215.0667 C8H11N2O5+ 1 215.0662 2.15
+  225.1643 C17H21+ 1 225.1638 2.3
+  242.1909 C17H24N+ 1 242.1903 2.26
+  243.1739 C17H23O+ 2 243.1743 -1.98
+  244.0928 C9H14N3O5+ 1 244.0928 -0.15
+  253.159 C18H21O+ 1 253.1587 1.41
+  260.2011 C17H26NO+ 1 260.2009 0.64
+  271.1698 C18H23O2+ 1 271.1693 2.01
+  272.0881 C10H14N3O6+ 2 272.0877 1.44
+  288.1962 C18H26NO2+ 1 288.1958 1.33
+  289.1135 C10H17N4O6+ 1 289.1143 -2.58
+  369.1404 C15H21N4O7+ 3 369.1405 -0.17
+  397.1359 C16H21N4O8+ 1 397.1354 1.25
+  457.2328 C25H33N2O6+ 1 457.2333 -1.18
+  465.1978 C21H29N4O8+ 1 465.198 -0.48
+  496.2437 C27H34N3O6+ 1 496.2442 -1.04
+  513.2723 C27H37N4O6+ 1 513.2708 2.98
+  531.2818 C27H39N4O7+ 1 531.2813 0.81
+  541.2657 C28H37N4O7+ 1 541.2657 0.06
+  559.2765 C28H39N4O8+ 1 559.2762 0.49
+PK$NUM_PEAK: 22
+PK$PEAK: m/z int. rel.int.
+  75.0554 14435.8 17
+  95.0856 68698.2 85
+  215.0667 15923.2 19
+  225.1643 99374.3 123
+  242.1909 78948.1 98
+  243.1739 21434.9 26
+  244.0928 56268.3 69
+  253.159 260480.8 323
+  260.2011 98839.8 122
+  271.1698 35427.3 44
+  272.0881 60595.3 75
+  288.1962 24255.3 30
+  289.1135 50934.5 63
+  369.1404 69060.3 85
+  397.1359 319912.3 397
+  457.2328 19211.2 23
+  465.1978 127098.6 157
+  496.2437 21565.7 26
+  513.2723 81133.1 100
+  531.2818 199042 247
+  541.2657 221274.1 274
+  559.2765 804305.8 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED026603.txt b/Eawag/MSBNK-EAWAG-ED026603.txt
new file mode 100644
index 0000000000..030a980374
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED026603.txt
@@ -0,0 +1,88 @@
+ACCESSION: MSBNK-EAWAG-ED026603
+RECORD_TITLE: Anabaenolysin A; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], D. Fewer [dtc], J. Jokela [dtc], M. Wahlsten [dtc], T. Shishido [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://dx.plos.org/10.1371/journal.pone.0041222
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 266
+CH$NAME: Anabaenolysin A
+CH$NAME: 6,16-dihydroxy-7-((2E,4E,6E,10E,12E)-pentadeca-2,4,6,10,12-pentaen-1-yl)decahydro-2H-furo[3,2-l][1,4,7,11]tetraazacyclopentadecine-2,5,9,12,15(3H,6H)-pentaone
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C28H38N4O8
+CH$EXACT_MASS: 558.2689642
+CH$SMILES: OC(C(NC(CNC(CNC1=O)=O)=O)C/C=C/C=C/C=C/CC/C=C/C=C/CC)C(NC2CC(OC2C1O)=O)=O
+CH$IUPAC: InChI=1S/C28H38N4O8/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-24(36)28(39)32-20-16-23(35)40-26(20)25(37)27(38)30-17-21(33)29-18-22(34)31-19/h3-6,9-14,19-20,24-26,36-37H,2,7-8,15-18H2,1H3,(H,29,33)(H,30,38)(H,31,34)(H,32,39)/b4-3+,6-5+,10-9+,12-11+,14-13+
+CH$LINK: PUBCHEM CID:146683737
+CH$LINK: INCHIKEY XQWGCUIJOHQMPI-FLYMKIDMSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 59-591
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 12.851 min
+MS$FOCUSED_ION: BASE_PEAK 559.276
+MS$FOCUSED_ION: PRECURSOR_M/Z 559.2762
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0k95-1093030000-7b0fbfd2f274f724c9bf
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  75.0553 C2H7N2O+ 1 75.0553 0.3
+  95.0856 C7H11+ 1 95.0855 0.7
+  201.1635 C15H21+ 1 201.1638 -1.17
+  213.1634 C16H21+ 1 213.1638 -1.85
+  215.0666 C8H11N2O5+ 1 215.0662 1.79
+  225.1641 C17H21+ 1 225.1638 1.62
+  227.0658 C9H11N2O5+ 1 227.0662 -2.08
+  230.1906 C16H24N+ 1 230.1903 1.25
+  242.1907 C17H24N+ 1 242.1903 1.69
+  243.1738 C17H23O+ 2 243.1743 -2.05
+  244.093 C9H14N3O5+ 2 244.0928 0.97
+  253.1592 C18H21O+ 1 253.1587 1.95
+  260.2009 C17H26NO+ 1 260.2009 0.17
+  270.1862 C18H24NO+ 2 270.1852 3.42
+  271.1698 C18H23O2+ 1 271.1693 1.9
+  272.0878 C10H14N3O6+ 2 272.0877 0.43
+  289.1147 C10H17N4O6+ 2 289.1143 1.53
+  317.2225 C19H29N2O2+ 1 317.2224 0.31
+  340.1143 C14H18N3O7+ 2 340.1139 1.17
+  369.1405 C15H21N4O7+ 2 369.1405 0.08
+  397.1354 C16H21N4O8+ 2 397.1354 -0.05
+  531.2818 C27H39N4O7+ 1 531.2813 0.81
+  559.2762 C28H39N4O8+ 1 559.2762 -0.05
+PK$NUM_PEAK: 23
+PK$PEAK: m/z int. rel.int.
+  75.0553 28907.6 100
+  95.0856 161172.4 558
+  201.1635 27041.3 93
+  213.1634 19004 65
+  215.0666 48112.8 166
+  225.1641 136551.8 473
+  227.0658 35521.1 123
+  230.1906 85802.6 297
+  242.1907 123653.2 428
+  243.1738 32270.5 111
+  244.093 112880.1 391
+  253.1592 193123.9 669
+  260.2009 112272.3 388
+  270.1862 35675.3 123
+  271.1698 34073.7 118
+  272.0878 85146.4 294
+  289.1147 34411.7 119
+  317.2225 20988.6 72
+  340.1143 63816.3 221
+  369.1405 107928.7 373
+  397.1354 221523.8 767
+  531.2818 135708.2 470
+  559.2762 288346.6 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED026604.txt b/Eawag/MSBNK-EAWAG-ED026604.txt
new file mode 100644
index 0000000000..a34e9f8dc9
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED026604.txt
@@ -0,0 +1,90 @@
+ACCESSION: MSBNK-EAWAG-ED026604
+RECORD_TITLE: Anabaenolysin A; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], D. Fewer [dtc], J. Jokela [dtc], M. Wahlsten [dtc], T. Shishido [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://dx.plos.org/10.1371/journal.pone.0041222
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 266
+CH$NAME: Anabaenolysin A
+CH$NAME: 6,16-dihydroxy-7-((2E,4E,6E,10E,12E)-pentadeca-2,4,6,10,12-pentaen-1-yl)decahydro-2H-furo[3,2-l][1,4,7,11]tetraazacyclopentadecine-2,5,9,12,15(3H,6H)-pentaone
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C28H38N4O8
+CH$EXACT_MASS: 558.2689642
+CH$SMILES: OC(C(NC(CNC(CNC1=O)=O)=O)C/C=C/C=C/C=C/CC/C=C/C=C/CC)C(NC2CC(OC2C1O)=O)=O
+CH$IUPAC: InChI=1S/C28H38N4O8/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-24(36)28(39)32-20-16-23(35)40-26(20)25(37)27(38)30-17-21(33)29-18-22(34)31-19/h3-6,9-14,19-20,24-26,36-37H,2,7-8,15-18H2,1H3,(H,29,33)(H,30,38)(H,31,34)(H,32,39)/b4-3+,6-5+,10-9+,12-11+,14-13+
+CH$LINK: PUBCHEM CID:146683737
+CH$LINK: INCHIKEY XQWGCUIJOHQMPI-FLYMKIDMSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 59-591
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 12.851 min
+MS$FOCUSED_ION: BASE_PEAK 559.276
+MS$FOCUSED_ION: PRECURSOR_M/Z 559.2762
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0007-3092000000-bf58f47556abd26c66df
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  67.0544 C5H7+ 1 67.0542 3.32
+  75.0554 C2H7N2O+ 1 75.0553 1.42
+  95.0856 C7H11+ 1 95.0855 0.62
+  119.0856 C9H11+ 1 119.0855 0.74
+  133.1017 C10H13+ 1 133.1012 4.18
+  159.1169 C12H15+ 1 159.1168 0.22
+  169.1014 C13H13+ 1 169.1012 1.59
+  201.1645 C15H21+ 1 201.1638 3.68
+  215.0662 C8H11N2O5+ 1 215.0662 -0.34
+  225.164 C17H21+ 1 225.1638 0.94
+  227.0671 C9H11N2O5+ 1 227.0662 3.56
+  230.1907 C16H24N+ 1 230.1903 1.78
+  242.1905 C17H24N+ 1 242.1903 0.55
+  243.1741 C17H23O+ 2 243.1743 -0.98
+  244.0932 C9H14N3O5+ 2 244.0928 1.85
+  253.1591 C18H21O+ 1 253.1587 1.47
+  260.2013 C17H26NO+ 1 260.2009 1.46
+  271.1697 C18H23O2+ 1 271.1693 1.56
+  272.0882 C10H14N3O6+ 2 272.0877 1.77
+  288.1962 C18H26NO2+ 1 288.1958 1.33
+  340.1141 C14H18N3O7+ 2 340.1139 0.55
+  369.1412 C15H21N4O7+ 2 369.1405 1.9
+  397.1347 C16H21N4O8+ 2 397.1354 -1.74
+  457.2347 C25H33N2O6+ 2 457.2333 3.09
+PK$NUM_PEAK: 24
+PK$PEAK: m/z int. rel.int.
+  67.0544 38965.7 143
+  75.0554 42882 157
+  95.0856 271622.5 999
+  119.0856 19830.7 72
+  133.1017 21810.7 80
+  159.1169 20379.8 74
+  169.1014 21007.3 77
+  201.1645 21252 78
+  215.0662 80242.8 295
+  225.164 129330.2 475
+  227.0671 59736.9 219
+  230.1907 110482.9 406
+  242.1905 142430 523
+  243.1741 22756.9 83
+  244.0932 129971.6 478
+  253.1591 125738.9 462
+  260.2013 102812.6 378
+  271.1697 26514.7 97
+  272.0882 64864.3 238
+  288.1962 16376.8 60
+  340.1141 95426.6 350
+  369.1412 103032.5 378
+  397.1347 89590.9 329
+  457.2347 26029.9 95
+//
diff --git a/Eawag/MSBNK-EAWAG-ED026605.txt b/Eawag/MSBNK-EAWAG-ED026605.txt
new file mode 100644
index 0000000000..3eb45b7799
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED026605.txt
@@ -0,0 +1,106 @@
+ACCESSION: MSBNK-EAWAG-ED026605
+RECORD_TITLE: Anabaenolysin A; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], D. Fewer [dtc], J. Jokela [dtc], M. Wahlsten [dtc], T. Shishido [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://dx.plos.org/10.1371/journal.pone.0041222
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 266
+CH$NAME: Anabaenolysin A
+CH$NAME: 6,16-dihydroxy-7-((2E,4E,6E,10E,12E)-pentadeca-2,4,6,10,12-pentaen-1-yl)decahydro-2H-furo[3,2-l][1,4,7,11]tetraazacyclopentadecine-2,5,9,12,15(3H,6H)-pentaone
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C28H38N4O8
+CH$EXACT_MASS: 558.2689642
+CH$SMILES: OC(C(NC(CNC(CNC1=O)=O)=O)C/C=C/C=C/C=C/CC/C=C/C=C/CC)C(NC2CC(OC2C1O)=O)=O
+CH$IUPAC: InChI=1S/C28H38N4O8/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-24(36)28(39)32-20-16-23(35)40-26(20)25(37)27(38)30-17-21(33)29-18-22(34)31-19/h3-6,9-14,19-20,24-26,36-37H,2,7-8,15-18H2,1H3,(H,29,33)(H,30,38)(H,31,34)(H,32,39)/b4-3+,6-5+,10-9+,12-11+,14-13+
+CH$LINK: PUBCHEM CID:146683737
+CH$LINK: INCHIKEY XQWGCUIJOHQMPI-FLYMKIDMSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 59-591
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 12.851 min
+MS$FOCUSED_ION: BASE_PEAK 559.276
+MS$FOCUSED_ION: PRECURSOR_M/Z 559.2762
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-00kb-8390000000-649ccd256c55fd0dea00
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  67.0543 C5H7+ 1 67.0542 0.7
+  68.0496 C4H6N+ 1 68.0495 2.03
+  75.0553 C2H7N2O+ 1 75.0553 -0.41
+  79.0544 C6H7+ 1 79.0542 1.69
+  81.0701 C6H9+ 1 81.0699 2.15
+  91.0542 C7H7+ 1 91.0542 0.24
+  93.0699 C7H9+ 1 93.0699 0.16
+  95.0856 C7H11+ 1 95.0855 0.7
+  98.0603 C5H8NO+ 1 98.06 2.89
+  105.0698 C8H9+ 1 105.0699 -0.74
+  117.07 C9H9+ 1 117.0699 0.85
+  119.086 C9H11+ 1 119.0855 3.82
+  131.0855 C10H11+ 1 131.0855 -0.3
+  133.1014 C10H13+ 1 133.1012 1.54
+  147.1168 C11H15+ 1 147.1168 0.13
+  148.1121 C10H14N+ 1 148.1121 -0.13
+  155.0857 C12H11+ 1 155.0855 1.21
+  157.063 C9H7N3+ 1 157.0634 -3.11
+  159.1168 C12H15+ 1 159.1168 -0.06
+  187.0717 C7H11N2O4+ 1 187.0713 2.17
+  213.1643 C16H21+ 1 213.1638 2.59
+  215.0668 C8H11N2O5+ 1 215.0662 2.64
+  225.1639 C17H21+ 1 225.1638 0.47
+  227.0673 C9H11N2O5+ 1 227.0662 4.64
+  230.1903 C16H24N+ 1 230.1903 -0.01
+  242.191 C17H24N+ 2 242.1903 2.82
+  244.0929 C9H14N3O5+ 1 244.0928 0.28
+  245.0767 C9H13N2O6+ 1 245.0768 -0.3
+  253.1584 C18H21O+ 2 253.1587 -1
+  255.0975 C11H15N2O5+ 1 255.0975 -0.02
+  260.2011 C17H26NO+ 1 260.2009 0.88
+  340.1148 C14H18N3O7+ 2 340.1139 2.61
+PK$NUM_PEAK: 32
+PK$PEAK: m/z int. rel.int.
+  67.0543 88651.9 239
+  68.0496 16275.3 43
+  75.0553 35026.6 94
+  79.0544 21897.4 59
+  81.0701 19940.6 53
+  91.0542 22953.7 62
+  93.0699 40861.5 110
+  95.0856 369658.9 999
+  98.0603 16743.7 45
+  105.0698 16287.8 44
+  117.07 19134.1 51
+  119.086 20994.8 56
+  131.0855 45899.1 124
+  133.1014 20206.9 54
+  147.1168 21972.8 59
+  148.1121 21048.6 56
+  155.0857 19314.7 52
+  157.063 13688 36
+  159.1168 22727.1 61
+  187.0717 50910.4 137
+  213.1643 27762.3 75
+  215.0668 106950.9 289
+  225.1639 75434.3 203
+  227.0673 40734.1 110
+  230.1903 65584.9 177
+  242.191 74464.7 201
+  244.0929 57487.4 155
+  245.0767 34509.8 93
+  253.1584 48002.4 129
+  255.0975 76711.1 207
+  260.2011 47983.8 129
+  340.1148 41182.1 111
+//
diff --git a/Eawag/MSBNK-EAWAG-ED026606.txt b/Eawag/MSBNK-EAWAG-ED026606.txt
new file mode 100644
index 0000000000..3e1eac08d5
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED026606.txt
@@ -0,0 +1,98 @@
+ACCESSION: MSBNK-EAWAG-ED026606
+RECORD_TITLE: Anabaenolysin A; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], D. Fewer [dtc], J. Jokela [dtc], M. Wahlsten [dtc], T. Shishido [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://dx.plos.org/10.1371/journal.pone.0041222
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 266
+CH$NAME: Anabaenolysin A
+CH$NAME: 6,16-dihydroxy-7-((2E,4E,6E,10E,12E)-pentadeca-2,4,6,10,12-pentaen-1-yl)decahydro-2H-furo[3,2-l][1,4,7,11]tetraazacyclopentadecine-2,5,9,12,15(3H,6H)-pentaone
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C28H38N4O8
+CH$EXACT_MASS: 558.2689642
+CH$SMILES: OC(C(NC(CNC(CNC1=O)=O)=O)C/C=C/C=C/C=C/CC/C=C/C=C/CC)C(NC2CC(OC2C1O)=O)=O
+CH$IUPAC: InChI=1S/C28H38N4O8/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-24(36)28(39)32-20-16-23(35)40-26(20)25(37)27(38)30-17-21(33)29-18-22(34)31-19/h3-6,9-14,19-20,24-26,36-37H,2,7-8,15-18H2,1H3,(H,29,33)(H,30,38)(H,31,34)(H,32,39)/b4-3+,6-5+,10-9+,12-11+,14-13+
+CH$LINK: PUBCHEM CID:146683737
+CH$LINK: INCHIKEY XQWGCUIJOHQMPI-FLYMKIDMSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 59-591
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 12.851 min
+MS$FOCUSED_ION: BASE_PEAK 559.276
+MS$FOCUSED_ION: PRECURSOR_M/Z 559.2762
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-00kb-9520000000-820a37685da9fdd86cc9
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  67.0542 C5H7+ 1 67.0542 -0.32
+  68.0495 C4H6N+ 1 68.0495 0.35
+  79.0542 C6H7+ 1 79.0542 -0.53
+  81.07 C6H9+ 1 81.0699 1.03
+  91.0544 C7H7+ 1 91.0542 2
+  93.07 C7H9+ 1 93.0699 0.82
+  95.0855 C7H11+ 1 95.0855 0.06
+  105.0698 C8H9+ 1 105.0699 -0.95
+  107.0858 C8H11+ 1 107.0855 2.53
+  117.0697 C9H9+ 1 117.0699 -1.37
+  119.0856 C9H11+ 1 119.0855 0.49
+  129.0699 C10H9+ 1 129.0699 0.52
+  131.0854 C10H11+ 1 131.0855 -0.65
+  141.0701 C11H9+ 1 141.0699 1.64
+  145.0608 C5H9N2O3+ 1 145.0608 0.35
+  157.1011 C12H13+ 1 157.1012 -0.54
+  169.1013 C13H13+ 1 169.1012 0.51
+  170.045 C7H8NO4+ 1 170.0448 1.39
+  171.1168 C13H15+ 1 171.1168 0.02
+  187.0714 C7H11N2O4+ 1 187.0713 0.29
+  187.1483 C14H19+ 1 187.1481 1.05
+  188.0555 C7H10NO5+ 1 188.0553 1
+  213.1638 C16H21+ 1 213.1638 0.3
+  215.0662 C8H11N2O5+ 1 215.0662 -0.05
+  225.1634 C17H21+ 1 225.1638 -1.5
+  230.1908 C16H24N+ 1 230.1903 2.05
+  245.077 C9H13N2O6+ 1 245.0768 0.82
+  255.0981 C11H15N2O5+ 1 255.0975 2.25
+PK$NUM_PEAK: 28
+PK$PEAK: m/z int. rel.int.
+  67.0542 177967.5 448
+  68.0495 30637.7 77
+  79.0542 39984.4 100
+  81.07 23763.8 59
+  91.0544 59903.9 150
+  93.07 74127.3 186
+  95.0855 396419.2 999
+  105.0698 34797.4 87
+  107.0858 15317.9 38
+  117.0697 39255.7 98
+  119.0856 41430.6 104
+  129.0699 30366.7 76
+  131.0854 56012.2 141
+  141.0701 16056.6 40
+  145.0608 50994.4 128
+  157.1011 22099.8 55
+  169.1013 34416.9 86
+  170.045 45225.5 113
+  171.1168 24094.7 60
+  187.0714 61426.6 154
+  187.1483 19508.6 49
+  188.0555 26568 66
+  213.1638 22138.4 55
+  215.0662 60178.3 151
+  225.1634 43739.6 110
+  230.1908 29098.9 73
+  245.077 37523.2 94
+  255.0981 52585 132
+//
diff --git a/Eawag/MSBNK-EAWAG-ED026607.txt b/Eawag/MSBNK-EAWAG-ED026607.txt
new file mode 100644
index 0000000000..55fb9fdabd
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED026607.txt
@@ -0,0 +1,96 @@
+ACCESSION: MSBNK-EAWAG-ED026607
+RECORD_TITLE: Anabaenolysin A; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], D. Fewer [dtc], J. Jokela [dtc], M. Wahlsten [dtc], T. Shishido [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://dx.plos.org/10.1371/journal.pone.0041222
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 266
+CH$NAME: Anabaenolysin A
+CH$NAME: 6,16-dihydroxy-7-((2E,4E,6E,10E,12E)-pentadeca-2,4,6,10,12-pentaen-1-yl)decahydro-2H-furo[3,2-l][1,4,7,11]tetraazacyclopentadecine-2,5,9,12,15(3H,6H)-pentaone
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C28H38N4O8
+CH$EXACT_MASS: 558.2689642
+CH$SMILES: OC(C(NC(CNC(CNC1=O)=O)=O)C/C=C/C=C/C=C/CC/C=C/C=C/CC)C(NC2CC(OC2C1O)=O)=O
+CH$IUPAC: InChI=1S/C28H38N4O8/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-24(36)28(39)32-20-16-23(35)40-26(20)25(37)27(38)30-17-21(33)29-18-22(34)31-19/h3-6,9-14,19-20,24-26,36-37H,2,7-8,15-18H2,1H3,(H,29,33)(H,30,38)(H,31,34)(H,32,39)/b4-3+,6-5+,10-9+,12-11+,14-13+
+CH$LINK: PUBCHEM CID:146683737
+CH$LINK: INCHIKEY XQWGCUIJOHQMPI-FLYMKIDMSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 59-591
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 12.851 min
+MS$FOCUSED_ION: BASE_PEAK 559.276
+MS$FOCUSED_ION: PRECURSOR_M/Z 559.2762
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-00kb-9400000000-f6aab242b26c36804926
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  67.0542 C5H7+ 1 67.0542 -0.32
+  68.0495 C4H6N+ 1 68.0495 0.91
+  75.0552 C2H7N2O+ 1 75.0553 -1.42
+  79.0543 C6H7+ 1 79.0542 0.53
+  81.0698 C6H9+ 1 81.0699 -1.14
+  82.0651 C5H8N+ 1 82.0651 -0.38
+  91.0542 C7H7+ 1 91.0542 -0.09
+  93.0698 C7H9+ 1 93.0699 -0.33
+  95.0855 C7H11+ 1 95.0855 -0.02
+  97.0288 C5H5O2+ 1 97.0284 3.75
+  105.0699 C8H9+ 1 105.0699 -0.01
+  107.0857 C8H11+ 1 107.0855 1.68
+  117.07 C9H9+ 1 117.0699 1.18
+  129.0699 C10H9+ 1 129.0699 0.52
+  131.0857 C10H11+ 1 131.0855 1.1
+  145.0607 C5H9N2O3+ 1 145.0608 -0.59
+  145.1008 C11H13+ 1 145.1012 -2.82
+  152.0345 C7H6NO3+ 1 152.0342 1.99
+  159.1168 C12H15+ 1 159.1168 -0.45
+  169.1013 C13H13+ 1 169.1012 0.78
+  170.045 C7H8NO4+ 1 170.0448 1.39
+  183.1168 C14H15+ 1 183.1168 -0.37
+  187.0713 C7H11N2O4+ 1 187.0713 -0.36
+  188.0554 C7H10NO5+ 1 188.0553 0.43
+  225.1644 C17H21+ 1 225.1638 2.98
+  245.0771 C9H13N2O6+ 1 245.0768 1.19
+  255.0987 C11H15N2O5+ 1 255.0975 4.64
+PK$NUM_PEAK: 27
+PK$PEAK: m/z int. rel.int.
+  67.0542 255690.5 677
+  68.0495 69697.5 184
+  75.0552 27159.2 71
+  79.0543 53466.1 141
+  81.0698 39120.2 103
+  82.0651 23537.9 62
+  91.0542 87930.3 232
+  93.0698 95538.9 253
+  95.0855 377141.7 999
+  97.0288 16282.6 43
+  105.0699 59303.3 157
+  107.0857 19354.7 51
+  117.07 47805.1 126
+  129.0699 38237.9 101
+  131.0857 72323.9 191
+  145.0607 66578.4 176
+  145.1008 35718.9 94
+  152.0345 16140.4 42
+  159.1168 19016.7 50
+  169.1013 26125.8 69
+  170.045 49014.9 129
+  183.1168 13795.5 36
+  187.0713 57195.2 151
+  188.0554 32731.5 86
+  225.1644 15758.8 41
+  245.0771 22769.6 60
+  255.0987 24003.8 63
+//
diff --git a/Eawag/MSBNK-EAWAG-ED026608.txt b/Eawag/MSBNK-EAWAG-ED026608.txt
new file mode 100644
index 0000000000..80dcb551d3
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED026608.txt
@@ -0,0 +1,82 @@
+ACCESSION: MSBNK-EAWAG-ED026608
+RECORD_TITLE: Anabaenolysin A; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], D. Fewer [dtc], J. Jokela [dtc], M. Wahlsten [dtc], T. Shishido [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://dx.plos.org/10.1371/journal.pone.0041222
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 266
+CH$NAME: Anabaenolysin A
+CH$NAME: 6,16-dihydroxy-7-((2E,4E,6E,10E,12E)-pentadeca-2,4,6,10,12-pentaen-1-yl)decahydro-2H-furo[3,2-l][1,4,7,11]tetraazacyclopentadecine-2,5,9,12,15(3H,6H)-pentaone
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C28H38N4O8
+CH$EXACT_MASS: 558.2689642
+CH$SMILES: OC(C(NC(CNC(CNC1=O)=O)=O)C/C=C/C=C/C=C/CC/C=C/C=C/CC)C(NC2CC(OC2C1O)=O)=O
+CH$IUPAC: InChI=1S/C28H38N4O8/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-24(36)28(39)32-20-16-23(35)40-26(20)25(37)27(38)30-17-21(33)29-18-22(34)31-19/h3-6,9-14,19-20,24-26,36-37H,2,7-8,15-18H2,1H3,(H,29,33)(H,30,38)(H,31,34)(H,32,39)/b4-3+,6-5+,10-9+,12-11+,14-13+
+CH$LINK: PUBCHEM CID:146683737
+CH$LINK: INCHIKEY XQWGCUIJOHQMPI-FLYMKIDMSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 59-591
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 12.851 min
+MS$FOCUSED_ION: BASE_PEAK 559.276
+MS$FOCUSED_ION: PRECURSOR_M/Z 559.2762
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-014j-9400000000-8cfb2fd18c50603e5681
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  67.0543 C5H7+ 1 67.0542 0.48
+  68.0495 C4H6N+ 1 68.0495 0.35
+  79.0543 C6H7+ 1 79.0542 0.44
+  81.0572 C5H7N+ 1 81.0573 -1.48
+  81.0699 C6H9+ 1 81.0699 -0.1
+  91.0542 C7H7+ 1 91.0542 -0.01
+  93.07 C7H9+ 1 93.0699 0.9
+  95.0856 C7H11+ 1 95.0855 0.3
+  105.0698 C8H9+ 1 105.0699 -0.88
+  117.0698 C9H9+ 1 117.0699 -0.52
+  119.0853 C9H11+ 1 119.0855 -1.76
+  129.0697 C10H9+ 1 129.0699 -1.37
+  131.0857 C10H11+ 1 131.0855 1.45
+  141.0697 C11H9+ 1 141.0699 -0.95
+  145.0607 C5H9N2O3+ 1 145.0608 -0.7
+  145.1011 C11H13+ 1 145.1012 -0.61
+  155.0854 C12H11+ 1 155.0855 -0.75
+  157.1012 C12H13+ 1 157.1012 0.43
+  169.101 C13H13+ 1 169.1012 -0.84
+  170.0451 C7H8NO4+ 1 170.0448 1.66
+PK$NUM_PEAK: 20
+PK$PEAK: m/z int. rel.int.
+  67.0543 321702.8 999
+  68.0495 68772.8 213
+  79.0543 62975.6 195
+  81.0572 6896.7 21
+  81.0699 25813.2 80
+  91.0542 99993.1 310
+  93.07 94602.7 293
+  95.0856 296200.7 919
+  105.0698 44154.1 137
+  117.0698 48141.9 149
+  119.0853 30198.4 93
+  129.0697 50083.4 155
+  131.0857 64603.2 200
+  141.0697 23709.4 73
+  145.0607 63565 197
+  145.1011 29755.9 92
+  155.0854 25677.1 79
+  157.1012 23990.9 74
+  169.101 26000.8 80
+  170.0451 25471.1 79
+//
diff --git a/Eawag/MSBNK-EAWAG-ED026609.txt b/Eawag/MSBNK-EAWAG-ED026609.txt
new file mode 100644
index 0000000000..8999b31af3
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED026609.txt
@@ -0,0 +1,86 @@
+ACCESSION: MSBNK-EAWAG-ED026609
+RECORD_TITLE: Anabaenolysin A; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], D. Fewer [dtc], J. Jokela [dtc], M. Wahlsten [dtc], T. Shishido [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://dx.plos.org/10.1371/journal.pone.0041222
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 266
+CH$NAME: Anabaenolysin A
+CH$NAME: 6,16-dihydroxy-7-((2E,4E,6E,10E,12E)-pentadeca-2,4,6,10,12-pentaen-1-yl)decahydro-2H-furo[3,2-l][1,4,7,11]tetraazacyclopentadecine-2,5,9,12,15(3H,6H)-pentaone
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C28H38N4O8
+CH$EXACT_MASS: 558.2689642
+CH$SMILES: OC(C(NC(CNC(CNC1=O)=O)=O)C/C=C/C=C/C=C/CC/C=C/C=C/CC)C(NC2CC(OC2C1O)=O)=O
+CH$IUPAC: InChI=1S/C28H38N4O8/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-24(36)28(39)32-20-16-23(35)40-26(20)25(37)27(38)30-17-21(33)29-18-22(34)31-19/h3-6,9-14,19-20,24-26,36-37H,2,7-8,15-18H2,1H3,(H,29,33)(H,30,38)(H,31,34)(H,32,39)/b4-3+,6-5+,10-9+,12-11+,14-13+
+CH$LINK: PUBCHEM CID:146683737
+CH$LINK: INCHIKEY XQWGCUIJOHQMPI-FLYMKIDMSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 59-591
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 12.851 min
+MS$FOCUSED_ION: BASE_PEAK 559.276
+MS$FOCUSED_ION: PRECURSOR_M/Z 559.2762
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-014i-9200000000-07ccef9443f310546303
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  67.0543 C5H7+ 1 67.0542 0.48
+  68.0495 C4H6N+ 1 68.0495 0.13
+  70.0653 C4H8N+ 1 70.0651 1.89
+  72.0445 C3H6NO+ 1 72.0444 1.56
+  79.0542 C6H7+ 1 79.0542 -0.14
+  80.0497 C5H6N+ 1 80.0495 2.25
+  82.0653 C5H8N+ 1 82.0651 1.67
+  85.0286 C4H5O2+ 1 85.0284 1.96
+  88.0394 C3H6NO2+ 1 88.0393 0.87
+  91.0543 C7H7+ 1 91.0542 0.58
+  93.0699 C7H9+ 1 93.0699 0.41
+  95.0491 C6H7O+ 1 95.0491 -0.41
+  95.0855 C7H11+ 1 95.0855 -0.34
+  105.0698 C8H9+ 1 105.0699 -1.17
+  117.0699 C9H9+ 1 117.0699 0.26
+  119.0859 C9H11+ 1 119.0855 3.3
+  123.0079 C6H3O3+ 1 123.0077 1.83
+  128.0622 C10H8+ 1 128.0621 1.41
+  129.07 C10H9+ 1 129.0699 0.64
+  131.0852 C10H11+ 1 131.0855 -2.51
+  145.0612 C5H9N2O3+ 1 145.0608 2.77
+  145.1012 C11H13+ 1 145.1012 0.12
+PK$NUM_PEAK: 22
+PK$PEAK: m/z int. rel.int.
+  67.0543 363097.9 999
+  68.0495 70958.2 195
+  70.0653 21561.2 59
+  72.0445 13387.2 36
+  79.0542 64013.9 176
+  80.0497 19964.9 54
+  82.0653 17558.4 48
+  85.0286 22946.8 63
+  88.0394 8900.8 24
+  91.0543 145272.4 399
+  93.0699 90407.9 248
+  95.0491 32297.1 88
+  95.0855 190432.4 523
+  105.0698 68709.2 189
+  117.0699 40910.2 112
+  119.0859 32547.5 89
+  123.0079 18728.6 51
+  128.0622 27788.1 76
+  129.07 53116.8 146
+  131.0852 52181.1 143
+  145.0612 34266.1 94
+  145.1012 20593.6 56
+//
diff --git a/Eawag/MSBNK-EAWAG-ED026651.txt b/Eawag/MSBNK-EAWAG-ED026651.txt
new file mode 100644
index 0000000000..3282c8c5b6
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED026651.txt
@@ -0,0 +1,52 @@
+ACCESSION: MSBNK-EAWAG-ED026651
+RECORD_TITLE: Anabaenolysin A; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], D. Fewer [dtc], J. Jokela [dtc], M. Wahlsten [dtc], T. Shishido [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://dx.plos.org/10.1371/journal.pone.0041222
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 266
+CH$NAME: Anabaenolysin A
+CH$NAME: 6,16-dihydroxy-7-((2E,4E,6E,10E,12E)-pentadeca-2,4,6,10,12-pentaen-1-yl)decahydro-2H-furo[3,2-l][1,4,7,11]tetraazacyclopentadecine-2,5,9,12,15(3H,6H)-pentaone
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C28H38N4O8
+CH$EXACT_MASS: 558.2689642
+CH$SMILES: OC(C(NC(CNC(CNC1=O)=O)=O)C/C=C/C=C/C=C/CC/C=C/C=C/CC)C(NC2CC(OC2C1O)=O)=O
+CH$IUPAC: InChI=1S/C28H38N4O8/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-24(36)28(39)32-20-16-23(35)40-26(20)25(37)27(38)30-17-21(33)29-18-22(34)31-19/h3-6,9-14,19-20,24-26,36-37H,2,7-8,15-18H2,1H3,(H,29,33)(H,30,38)(H,31,34)(H,32,39)/b4-3+,6-5+,10-9+,12-11+,14-13+
+CH$LINK: PUBCHEM CID:146683737
+CH$LINK: INCHIKEY XQWGCUIJOHQMPI-FLYMKIDMSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 58-589
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 12.837 min
+MS$FOCUSED_ION: BASE_PEAK 603.2673
+MS$FOCUSED_ION: PRECURSOR_M/Z 557.2617
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0a4i-0000290000-6157a35bc89d3460dc77
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  443.2292 C23H31N4O5- 3 443.23 -1.88
+  473.2403 C24H33N4O6- 2 473.2406 -0.62
+  513.2716 C27H37N4O6- 1 513.2719 -0.45
+  539.2509 C28H35N4O7- 1 539.2511 -0.44
+  557.2615 C28H37N4O8- 1 557.2617 -0.38
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  443.2292 27686 12
+  473.2403 733115.3 323
+  513.2716 164982.6 72
+  539.2509 227598.9 100
+  557.2615 2265311.8 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED026652.txt b/Eawag/MSBNK-EAWAG-ED026652.txt
new file mode 100644
index 0000000000..6cf6bb03e7
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED026652.txt
@@ -0,0 +1,56 @@
+ACCESSION: MSBNK-EAWAG-ED026652
+RECORD_TITLE: Anabaenolysin A; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], D. Fewer [dtc], J. Jokela [dtc], M. Wahlsten [dtc], T. Shishido [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://dx.plos.org/10.1371/journal.pone.0041222
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 266
+CH$NAME: Anabaenolysin A
+CH$NAME: 6,16-dihydroxy-7-((2E,4E,6E,10E,12E)-pentadeca-2,4,6,10,12-pentaen-1-yl)decahydro-2H-furo[3,2-l][1,4,7,11]tetraazacyclopentadecine-2,5,9,12,15(3H,6H)-pentaone
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C28H38N4O8
+CH$EXACT_MASS: 558.2689642
+CH$SMILES: OC(C(NC(CNC(CNC1=O)=O)=O)C/C=C/C=C/C=C/CC/C=C/C=C/CC)C(NC2CC(OC2C1O)=O)=O
+CH$IUPAC: InChI=1S/C28H38N4O8/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-24(36)28(39)32-20-16-23(35)40-26(20)25(37)27(38)30-17-21(33)29-18-22(34)31-19/h3-6,9-14,19-20,24-26,36-37H,2,7-8,15-18H2,1H3,(H,29,33)(H,30,38)(H,31,34)(H,32,39)/b4-3+,6-5+,10-9+,12-11+,14-13+
+CH$LINK: PUBCHEM CID:146683737
+CH$LINK: INCHIKEY XQWGCUIJOHQMPI-FLYMKIDMSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 58-589
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 12.837 min
+MS$FOCUSED_ION: BASE_PEAK 603.2673
+MS$FOCUSED_ION: PRECURSOR_M/Z 557.2617
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-00di-0000970000-1c84b0a4ecf3dc3f3f7b
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  142.062 C5H8N3O2- 1 142.0622 -1.5
+  156.0414 C5H6N3O3- 1 156.0415 -0.25
+  186.0511 C6H8N3O4- 1 186.052 -4.98
+  473.2403 C24H33N4O6- 2 473.2406 -0.56
+  513.2715 C27H37N4O6- 1 513.2719 -0.69
+  539.2507 C28H35N4O7- 1 539.2511 -0.78
+  557.2612 C28H37N4O8- 1 557.2617 -0.93
+PK$NUM_PEAK: 7
+PK$PEAK: m/z int. rel.int.
+  142.062 33673.5 27
+  156.0414 38091.9 30
+  186.0511 66037.7 53
+  473.2403 1243414.8 999
+  513.2715 234040.4 188
+  539.2507 215635.9 173
+  557.2612 581682.1 467
+//
diff --git a/Eawag/MSBNK-EAWAG-ED026653.txt b/Eawag/MSBNK-EAWAG-ED026653.txt
new file mode 100644
index 0000000000..aa5c0a8592
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED026653.txt
@@ -0,0 +1,64 @@
+ACCESSION: MSBNK-EAWAG-ED026653
+RECORD_TITLE: Anabaenolysin A; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], D. Fewer [dtc], J. Jokela [dtc], M. Wahlsten [dtc], T. Shishido [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://dx.plos.org/10.1371/journal.pone.0041222
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 266
+CH$NAME: Anabaenolysin A
+CH$NAME: 6,16-dihydroxy-7-((2E,4E,6E,10E,12E)-pentadeca-2,4,6,10,12-pentaen-1-yl)decahydro-2H-furo[3,2-l][1,4,7,11]tetraazacyclopentadecine-2,5,9,12,15(3H,6H)-pentaone
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C28H38N4O8
+CH$EXACT_MASS: 558.2689642
+CH$SMILES: OC(C(NC(CNC(CNC1=O)=O)=O)C/C=C/C=C/C=C/CC/C=C/C=C/CC)C(NC2CC(OC2C1O)=O)=O
+CH$IUPAC: InChI=1S/C28H38N4O8/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-24(36)28(39)32-20-16-23(35)40-26(20)25(37)27(38)30-17-21(33)29-18-22(34)31-19/h3-6,9-14,19-20,24-26,36-37H,2,7-8,15-18H2,1H3,(H,29,33)(H,30,38)(H,31,34)(H,32,39)/b4-3+,6-5+,10-9+,12-11+,14-13+
+CH$LINK: PUBCHEM CID:146683737
+CH$LINK: INCHIKEY XQWGCUIJOHQMPI-FLYMKIDMSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 58-589
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 12.837 min
+MS$FOCUSED_ION: BASE_PEAK 603.2673
+MS$FOCUSED_ION: PRECURSOR_M/Z 557.2617
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-00di-0400910000-de12c2e3db3cdefd840a
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  95.0138 C5H3O2- 1 95.0139 -0.58
+  142.0619 C5H8N3O2- 1 142.0622 -2.14
+  156.0414 C5H6N3O3- 1 156.0415 -0.54
+  169.0247 C6H5N2O4- 1 169.0255 -4.56
+  186.0513 C6H8N3O4- 1 186.052 -4.16
+  429.2501 C23H33N4O4- 4 429.2507 -1.53
+  443.2296 C23H31N4O5- 2 443.23 -0.92
+  455.2295 C24H31N4O5- 3 455.23 -0.99
+  473.2403 C24H33N4O6- 2 473.2406 -0.62
+  513.2721 C27H37N4O6- 1 513.2719 0.5
+  557.2612 C28H37N4O8- 1 557.2617 -0.93
+PK$NUM_PEAK: 11
+PK$PEAK: m/z int. rel.int.
+  95.0138 38726.4 44
+  142.0619 193327.4 219
+  156.0414 85269.3 96
+  169.0247 44488.6 50
+  186.0513 228130 259
+  429.2501 78965.6 89
+  443.2296 66690.9 75
+  455.2295 91759.3 104
+  473.2403 878727.7 999
+  513.2721 109232.2 124
+  557.2612 75493.9 85
+//
diff --git a/Eawag/MSBNK-EAWAG-ED026654.txt b/Eawag/MSBNK-EAWAG-ED026654.txt
new file mode 100644
index 0000000000..a5fd3a7a26
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED026654.txt
@@ -0,0 +1,64 @@
+ACCESSION: MSBNK-EAWAG-ED026654
+RECORD_TITLE: Anabaenolysin A; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], D. Fewer [dtc], J. Jokela [dtc], M. Wahlsten [dtc], T. Shishido [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://dx.plos.org/10.1371/journal.pone.0041222
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 266
+CH$NAME: Anabaenolysin A
+CH$NAME: 6,16-dihydroxy-7-((2E,4E,6E,10E,12E)-pentadeca-2,4,6,10,12-pentaen-1-yl)decahydro-2H-furo[3,2-l][1,4,7,11]tetraazacyclopentadecine-2,5,9,12,15(3H,6H)-pentaone
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C28H38N4O8
+CH$EXACT_MASS: 558.2689642
+CH$SMILES: OC(C(NC(CNC(CNC1=O)=O)=O)C/C=C/C=C/C=C/CC/C=C/C=C/CC)C(NC2CC(OC2C1O)=O)=O
+CH$IUPAC: InChI=1S/C28H38N4O8/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-24(36)28(39)32-20-16-23(35)40-26(20)25(37)27(38)30-17-21(33)29-18-22(34)31-19/h3-6,9-14,19-20,24-26,36-37H,2,7-8,15-18H2,1H3,(H,29,33)(H,30,38)(H,31,34)(H,32,39)/b4-3+,6-5+,10-9+,12-11+,14-13+
+CH$LINK: PUBCHEM CID:146683737
+CH$LINK: INCHIKEY XQWGCUIJOHQMPI-FLYMKIDMSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 58-589
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 12.837 min
+MS$FOCUSED_ION: BASE_PEAK 603.2673
+MS$FOCUSED_ION: PRECURSOR_M/Z 557.2617
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0596-1930400000-578fa51f90b50d219dad
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  95.0136 C5H3O2- 1 95.0139 -2.59
+  99.0201 C3H3N2O2- 1 99.02 0.59
+  142.0618 C5H8N3O2- 1 142.0622 -2.57
+  156.0409 C5H6N3O3- 1 156.0415 -3.67
+  158.0566 C5H8N3O3- 1 158.0571 -3.55
+  168.041 C6H6N3O3- 1 168.0415 -2.94
+  169.025 C6H5N2O4- 1 169.0255 -2.84
+  226.0823 C9H12N3O4- 1 226.0833 -4.58
+  243.1742 C15H21N3- 1 243.1741 0.38
+  455.2287 C24H31N4O5- 2 455.23 -2.73
+  473.24 C24H33N4O6- 2 473.2406 -1.14
+PK$NUM_PEAK: 11
+PK$PEAK: m/z int. rel.int.
+  95.0136 62878.9 170
+  99.0201 85692 231
+  142.0618 369353 999
+  156.0409 151962.2 411
+  158.0566 61230.4 165
+  168.041 41623.5 112
+  169.025 47487.1 128
+  226.0823 206584.5 558
+  243.1742 55328.6 149
+  455.2287 69854.2 188
+  473.24 299844.9 810
+//
diff --git a/Eawag/MSBNK-EAWAG-ED026655.txt b/Eawag/MSBNK-EAWAG-ED026655.txt
new file mode 100644
index 0000000000..d62cf46286
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED026655.txt
@@ -0,0 +1,62 @@
+ACCESSION: MSBNK-EAWAG-ED026655
+RECORD_TITLE: Anabaenolysin A; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], D. Fewer [dtc], J. Jokela [dtc], M. Wahlsten [dtc], T. Shishido [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://dx.plos.org/10.1371/journal.pone.0041222
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 266
+CH$NAME: Anabaenolysin A
+CH$NAME: 6,16-dihydroxy-7-((2E,4E,6E,10E,12E)-pentadeca-2,4,6,10,12-pentaen-1-yl)decahydro-2H-furo[3,2-l][1,4,7,11]tetraazacyclopentadecine-2,5,9,12,15(3H,6H)-pentaone
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C28H38N4O8
+CH$EXACT_MASS: 558.2689642
+CH$SMILES: OC(C(NC(CNC(CNC1=O)=O)=O)C/C=C/C=C/C=C/CC/C=C/C=C/CC)C(NC2CC(OC2C1O)=O)=O
+CH$IUPAC: InChI=1S/C28H38N4O8/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-24(36)28(39)32-20-16-23(35)40-26(20)25(37)27(38)30-17-21(33)29-18-22(34)31-19/h3-6,9-14,19-20,24-26,36-37H,2,7-8,15-18H2,1H3,(H,29,33)(H,30,38)(H,31,34)(H,32,39)/b4-3+,6-5+,10-9+,12-11+,14-13+
+CH$LINK: PUBCHEM CID:146683737
+CH$LINK: INCHIKEY XQWGCUIJOHQMPI-FLYMKIDMSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 58-589
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 12.837 min
+MS$FOCUSED_ION: BASE_PEAK 603.2673
+MS$FOCUSED_ION: PRECURSOR_M/Z 557.2617
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0007-3920000000-1738a20a79e3cfc41eb7
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  95.0137 C5H3O2- 1 95.0139 -1.38
+  99.0198 C3H3N2O2- 1 99.02 -1.64
+  113.0356 C4H5N2O2- 1 113.0357 -0.03
+  130.0618 C4H8N3O2- 1 130.0622 -2.8
+  140.0462 C5H6N3O2- 1 140.0466 -2.48
+  142.0618 C5H8N3O2- 1 142.0622 -2.79
+  158.0566 C5H8N3O3- 1 158.0571 -3.36
+  208.0719 C9H10N3O3- 1 208.0728 -4.36
+  226.0824 C9H12N3O4- 1 226.0833 -4.04
+  243.1744 C15H21N3- 2 243.1741 1.32
+PK$NUM_PEAK: 10
+PK$PEAK: m/z int. rel.int.
+  95.0137 79025.5 200
+  99.0198 179393.9 454
+  113.0356 33986.1 86
+  130.0618 70245.6 177
+  140.0462 73879.8 187
+  142.0618 394253.2 999
+  158.0566 84466 214
+  208.0719 58101.3 147
+  226.0824 44914.8 113
+  243.1744 45220.4 114
+//
diff --git a/Eawag/MSBNK-EAWAG-ED026656.txt b/Eawag/MSBNK-EAWAG-ED026656.txt
new file mode 100644
index 0000000000..e864ef2e32
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED026656.txt
@@ -0,0 +1,70 @@
+ACCESSION: MSBNK-EAWAG-ED026656
+RECORD_TITLE: Anabaenolysin A; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], D. Fewer [dtc], J. Jokela [dtc], M. Wahlsten [dtc], T. Shishido [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://dx.plos.org/10.1371/journal.pone.0041222
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 266
+CH$NAME: Anabaenolysin A
+CH$NAME: 6,16-dihydroxy-7-((2E,4E,6E,10E,12E)-pentadeca-2,4,6,10,12-pentaen-1-yl)decahydro-2H-furo[3,2-l][1,4,7,11]tetraazacyclopentadecine-2,5,9,12,15(3H,6H)-pentaone
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C28H38N4O8
+CH$EXACT_MASS: 558.2689642
+CH$SMILES: OC(C(NC(CNC(CNC1=O)=O)=O)C/C=C/C=C/C=C/CC/C=C/C=C/CC)C(NC2CC(OC2C1O)=O)=O
+CH$IUPAC: InChI=1S/C28H38N4O8/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-24(36)28(39)32-20-16-23(35)40-26(20)25(37)27(38)30-17-21(33)29-18-22(34)31-19/h3-6,9-14,19-20,24-26,36-37H,2,7-8,15-18H2,1H3,(H,29,33)(H,30,38)(H,31,34)(H,32,39)/b4-3+,6-5+,10-9+,12-11+,14-13+
+CH$LINK: PUBCHEM CID:146683737
+CH$LINK: INCHIKEY XQWGCUIJOHQMPI-FLYMKIDMSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 58-589
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 12.837 min
+MS$FOCUSED_ION: BASE_PEAK 603.2673
+MS$FOCUSED_ION: PRECURSOR_M/Z 557.2617
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0007-5900000000-17ef8e49ffa6c526a8a9
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  72.009 C2H2NO2- 1 72.0091 -1.82
+  86.0246 C3H4NO2- 1 86.0248 -2.07
+  95.0137 C5H3O2- 1 95.0139 -1.3
+  97.0407 C4H5N2O- 1 97.0407 -0.51
+  99.0198 C3H3N2O2- 1 99.02 -1.8
+  111.0202 C4H3N2O2- 1 111.02 1.86
+  112.0041 C4H2NO3- 1 112.004 0.79
+  113.0353 C4H5N2O2- 1 113.0357 -3.4
+  130.0618 C4H8N3O2- 1 130.0622 -3.04
+  140.0462 C5H6N3O2- 1 140.0466 -2.37
+  142.0619 C5H8N3O2- 1 142.0622 -2.36
+  156.0409 C5H6N3O3- 1 156.0415 -3.87
+  158.0569 C5H8N3O3- 1 158.0571 -1.52
+  168.0407 C6H6N3O3- 1 168.0415 -4.3
+PK$NUM_PEAK: 14
+PK$PEAK: m/z int. rel.int.
+  72.009 31896.2 132
+  86.0246 43989.7 182
+  95.0137 89792.6 372
+  97.0407 23255.5 96
+  99.0198 240692.3 999
+  111.0202 22538.6 93
+  112.0041 27099.6 112
+  113.0353 67943.9 282
+  130.0618 109183.5 453
+  140.0462 135044.1 560
+  142.0619 198368.2 823
+  156.0409 79324.7 329
+  158.0569 53260.8 221
+  168.0407 63568.7 263
+//
diff --git a/Eawag/MSBNK-EAWAG-ED026657.txt b/Eawag/MSBNK-EAWAG-ED026657.txt
new file mode 100644
index 0000000000..af797f1009
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED026657.txt
@@ -0,0 +1,70 @@
+ACCESSION: MSBNK-EAWAG-ED026657
+RECORD_TITLE: Anabaenolysin A; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], D. Fewer [dtc], J. Jokela [dtc], M. Wahlsten [dtc], T. Shishido [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://dx.plos.org/10.1371/journal.pone.0041222
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 266
+CH$NAME: Anabaenolysin A
+CH$NAME: 6,16-dihydroxy-7-((2E,4E,6E,10E,12E)-pentadeca-2,4,6,10,12-pentaen-1-yl)decahydro-2H-furo[3,2-l][1,4,7,11]tetraazacyclopentadecine-2,5,9,12,15(3H,6H)-pentaone
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C28H38N4O8
+CH$EXACT_MASS: 558.2689642
+CH$SMILES: OC(C(NC(CNC(CNC1=O)=O)=O)C/C=C/C=C/C=C/CC/C=C/C=C/CC)C(NC2CC(OC2C1O)=O)=O
+CH$IUPAC: InChI=1S/C28H38N4O8/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-24(36)28(39)32-20-16-23(35)40-26(20)25(37)27(38)30-17-21(33)29-18-22(34)31-19/h3-6,9-14,19-20,24-26,36-37H,2,7-8,15-18H2,1H3,(H,29,33)(H,30,38)(H,31,34)(H,32,39)/b4-3+,6-5+,10-9+,12-11+,14-13+
+CH$LINK: PUBCHEM CID:146683737
+CH$LINK: INCHIKEY XQWGCUIJOHQMPI-FLYMKIDMSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 58-589
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 12.837 min
+MS$FOCUSED_ION: BASE_PEAK 603.2673
+MS$FOCUSED_ION: PRECURSOR_M/Z 557.2617
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0005-7900000000-e27d96030c0bae35b2a0
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  71.0252 C2H3N2O- 1 71.0251 1.05
+  72.009 C2H2NO2- 1 72.0091 -1.93
+  73.0407 C2H5N2O- 1 73.0407 -0.49
+  86.0246 C3H4NO2- 1 86.0248 -2.34
+  95.0137 C5H3O2- 1 95.0139 -1.46
+  99.0198 C3H3N2O2- 1 99.02 -2.49
+  112.0037 C4H2NO3- 1 112.004 -3.16
+  112.0514 C4H6N3O- 1 112.0516 -2.37
+  113.0354 C4H5N2O2- 1 113.0357 -1.98
+  128.0461 C4H6N3O2- 1 128.0466 -3.56
+  130.0619 C4H8N3O2- 1 130.0622 -2.34
+  140.0462 C5H6N3O2- 1 140.0466 -2.26
+  142.0618 C5H8N3O2- 1 142.0622 -2.9
+  156.041 C5H6N3O3- 1 156.0415 -2.89
+PK$NUM_PEAK: 14
+PK$PEAK: m/z int. rel.int.
+  71.0252 19512.4 92
+  72.009 39426.9 187
+  73.0407 36445.1 173
+  86.0246 45238 215
+  95.0137 104900.6 499
+  99.0198 209630.5 999
+  112.0037 29712.9 141
+  112.0514 72653 346
+  113.0354 72304.5 344
+  128.0461 38809 184
+  130.0619 87037.6 414
+  140.0462 94267.8 449
+  142.0618 67275.6 320
+  156.041 50000.3 238
+//
diff --git a/Eawag/MSBNK-EAWAG-ED026658.txt b/Eawag/MSBNK-EAWAG-ED026658.txt
new file mode 100644
index 0000000000..6c66bc85df
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED026658.txt
@@ -0,0 +1,64 @@
+ACCESSION: MSBNK-EAWAG-ED026658
+RECORD_TITLE: Anabaenolysin A; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], D. Fewer [dtc], J. Jokela [dtc], M. Wahlsten [dtc], T. Shishido [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://dx.plos.org/10.1371/journal.pone.0041222
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 266
+CH$NAME: Anabaenolysin A
+CH$NAME: 6,16-dihydroxy-7-((2E,4E,6E,10E,12E)-pentadeca-2,4,6,10,12-pentaen-1-yl)decahydro-2H-furo[3,2-l][1,4,7,11]tetraazacyclopentadecine-2,5,9,12,15(3H,6H)-pentaone
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C28H38N4O8
+CH$EXACT_MASS: 558.2689642
+CH$SMILES: OC(C(NC(CNC(CNC1=O)=O)=O)C/C=C/C=C/C=C/CC/C=C/C=C/CC)C(NC2CC(OC2C1O)=O)=O
+CH$IUPAC: InChI=1S/C28H38N4O8/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-24(36)28(39)32-20-16-23(35)40-26(20)25(37)27(38)30-17-21(33)29-18-22(34)31-19/h3-6,9-14,19-20,24-26,36-37H,2,7-8,15-18H2,1H3,(H,29,33)(H,30,38)(H,31,34)(H,32,39)/b4-3+,6-5+,10-9+,12-11+,14-13+
+CH$LINK: PUBCHEM CID:146683737
+CH$LINK: INCHIKEY XQWGCUIJOHQMPI-FLYMKIDMSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 58-589
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 12.837 min
+MS$FOCUSED_ION: BASE_PEAK 603.2673
+MS$FOCUSED_ION: PRECURSOR_M/Z 557.2617
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-01ot-9500000000-3d5141803cf5e00f9d37
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  72.0091 C2H2NO2- 1 72.0091 0.51
+  73.0408 C2H5N2O- 1 73.0407 0.24
+  83.025 C3H3N2O- 1 83.0251 -0.9
+  86.0247 C3H4NO2- 1 86.0248 -0.48
+  95.0137 C5H3O2- 1 95.0139 -1.86
+  99.0199 C3H3N2O2- 1 99.02 -1.41
+  112.004 C4H2NO3- 1 112.004 -0.23
+  112.0513 C4H6N3O- 1 112.0516 -2.99
+  113.0354 C4H5N2O2- 1 113.0357 -2.19
+  130.062 C4H8N3O2- 1 130.0622 -1.4
+  140.0465 C5H6N3O2- 1 140.0466 -0.62
+PK$NUM_PEAK: 11
+PK$PEAK: m/z int. rel.int.
+  72.0091 23843.4 155
+  73.0408 45033.7 292
+  83.025 23911.3 155
+  86.0247 49653.5 322
+  95.0137 109157 709
+  99.0199 153664.5 999
+  112.004 27901.6 181
+  112.0513 68386.9 444
+  113.0354 43022.1 279
+  130.062 49666.8 322
+  140.0465 71102.1 462
+//
diff --git a/Eawag/MSBNK-EAWAG-ED026659.txt b/Eawag/MSBNK-EAWAG-ED026659.txt
new file mode 100644
index 0000000000..ca39196e85
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED026659.txt
@@ -0,0 +1,64 @@
+ACCESSION: MSBNK-EAWAG-ED026659
+RECORD_TITLE: Anabaenolysin A; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], D. Fewer [dtc], J. Jokela [dtc], M. Wahlsten [dtc], T. Shishido [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://dx.plos.org/10.1371/journal.pone.0041222
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 266
+CH$NAME: Anabaenolysin A
+CH$NAME: 6,16-dihydroxy-7-((2E,4E,6E,10E,12E)-pentadeca-2,4,6,10,12-pentaen-1-yl)decahydro-2H-furo[3,2-l][1,4,7,11]tetraazacyclopentadecine-2,5,9,12,15(3H,6H)-pentaone
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C28H38N4O8
+CH$EXACT_MASS: 558.2689642
+CH$SMILES: OC(C(NC(CNC(CNC1=O)=O)=O)C/C=C/C=C/C=C/CC/C=C/C=C/CC)C(NC2CC(OC2C1O)=O)=O
+CH$IUPAC: InChI=1S/C28H38N4O8/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-24(36)28(39)32-20-16-23(35)40-26(20)25(37)27(38)30-17-21(33)29-18-22(34)31-19/h3-6,9-14,19-20,24-26,36-37H,2,7-8,15-18H2,1H3,(H,29,33)(H,30,38)(H,31,34)(H,32,39)/b4-3+,6-5+,10-9+,12-11+,14-13+
+CH$LINK: PUBCHEM CID:146683737
+CH$LINK: INCHIKEY XQWGCUIJOHQMPI-FLYMKIDMSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 58-589
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 12.837 min
+MS$FOCUSED_ION: BASE_PEAK 603.2673
+MS$FOCUSED_ION: PRECURSOR_M/Z 557.2617
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0002-9300000000-2c7cfc35e9cce2372065
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  71.025 C2H3N2O- 1 71.0251 -1.21
+  72.0092 C2H2NO2- 1 72.0091 1.04
+  73.0407 C2H5N2O- 1 73.0407 -1.02
+  83.0252 C3H3N2O- 1 83.0251 0.94
+  84.0091 C3H2NO2- 1 84.0091 -0.53
+  86.0247 C3H4NO2- 1 86.0248 -0.65
+  95.0137 C5H3O2- 1 95.0139 -1.7
+  99.0199 C3H3N2O2- 1 99.02 -1.18
+  112.0516 C4H6N3O- 1 112.0516 -0.06
+  113.0353 C4H5N2O2- 1 113.0357 -2.79
+  140.0467 C5H6N3O2- 1 140.0466 1.01
+PK$NUM_PEAK: 11
+PK$PEAK: m/z int. rel.int.
+  71.025 13127.2 121
+  72.0092 30563.7 281
+  73.0407 50396 464
+  83.0252 20166.5 185
+  84.0091 17099.3 157
+  86.0247 37239.7 343
+  95.0137 90155.3 831
+  99.0199 108352.9 999
+  112.0516 50671.4 467
+  113.0353 45832.2 422
+  140.0467 26079.8 240
+//
diff --git a/Eawag/MSBNK-EAWAG-ED042101.txt b/Eawag/MSBNK-EAWAG-ED042101.txt
new file mode 100644
index 0000000000..f75248af03
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED042101.txt
@@ -0,0 +1,57 @@
+ACCESSION: MSBNK-EAWAG-ED042101
+RECORD_TITLE: Planktopeptin BL 1125; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.05.01
+AUTHORS: E. Janssen [dtc], X. Wang [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 421
+CH$NAME: Planktopeptin BL 1125
+CH$NAME: (2S)-N-[(5S,8S,11S,12S,15S,18S,21R)-8-[(2S)-butan-2-yl]-21-hydroxy-2-[(1S)-1-hydroxyethyl]-5-[(4-methoxyphenyl)methyl]-4,11-dimethyl-15-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]-2-[[(2R)-2-[[(2S)-2,3-dihydroxypropanoyl]amino]-4-(4-hydroxyphenyl)butanoyl]amino]pentanediamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C54H79N9O17
+CH$EXACT_MASS: 1125.559392
+CH$SMILES: O[C@H]1N(C([C@H](CC1)NC([C@H](CC(C)C)N2)=O)=O)C([C@H](C)O)C(N(C)[C@@H](CC3=CC=C(C=C3)OC)C(N[C@H](C(O[C@H]([C@@H](C2=O)NC([C@H](CCC(N)=O)NC([C@@H](CCC4=CC=C(C=C4)O)NC([C@@H](O)CO)=O)=O)=O)C)=O)[C@@H](C)CC)=O)=O
+CH$IUPAC: InChI=1S/C54H79N9O17/c1-9-28(4)43-54(78)80-30(6)44(61-47(71)36(20-22-41(55)68)56-46(70)35(57-50(74)40(67)26-64)19-14-31-10-15-33(66)16-11-31)51(75)59-38(24-27(2)3)48(72)58-37-21-23-42(69)63(52(37)76)45(29(5)65)53(77)62(7)39(49(73)60-43)25-32-12-17-34(79-8)18-13-32/h10-13,15-18,27-30,35-40,42-45,64-67,69H,9,14,19-26H2,1-8H3,(H2,55,68)(H,56,70)(H,57,74)(H,58,72)(H,59,75)(H,60,73)(H,61,71)/t28-,29-,30-,35+,36-,37-,38-,39-,40-,42+,43-,44-,45?/m0/s1
+CH$LINK: PUBCHEM CID:155802386
+CH$LINK: INCHIKEY WABVJCPIKZSXJF-POZIDFPQSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 116-1170
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.627 min
+MS$FOCUSED_ION: BASE_PEAK 554.7805
+MS$FOCUSED_ION: PRECURSOR_M/Z 1126.5667
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0a4i-0900020200-8a950ebf5a207120860d
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  477.1973 C21H33O12+ 9 477.1967 1.29
+  590.2812 C42H38O3+ 10 590.2815 -0.54
+  608.2927 C27H46NO14+ 12 608.2913 2.34
+  715.4018 C50H53NO3+ 15 715.402 -0.25
+  843.4607 C41H63N8O11+ 11 843.4611 -0.41
+  1090.5443 C54H76N9O15+ 1 1090.5455 -1.15
+  1091.5311 C54H75N8O16+ 1 1091.5296 1.42
+  1108.5568 C54H78N9O16+ 1 1108.5561 0.63
+PK$NUM_PEAK: 8
+PK$PEAK: m/z int. rel.int.
+  477.1973 277428.6 22
+  590.2812 3209869 262
+  608.2927 186187.8 15
+  715.4018 3946659.2 322
+  843.4607 1031507.3 84
+  1090.5443 259741.2 21
+  1091.5311 276700.7 22
+  1108.5568 12212548 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED042102.txt b/Eawag/MSBNK-EAWAG-ED042102.txt
new file mode 100644
index 0000000000..cf45e863c7
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED042102.txt
@@ -0,0 +1,79 @@
+ACCESSION: MSBNK-EAWAG-ED042102
+RECORD_TITLE: Planktopeptin BL 1125; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.05.01
+AUTHORS: E. Janssen [dtc], X. Wang [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 421
+CH$NAME: Planktopeptin BL 1125
+CH$NAME: (2S)-N-[(5S,8S,11S,12S,15S,18S,21R)-8-[(2S)-butan-2-yl]-21-hydroxy-2-[(1S)-1-hydroxyethyl]-5-[(4-methoxyphenyl)methyl]-4,11-dimethyl-15-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]-2-[[(2R)-2-[[(2S)-2,3-dihydroxypropanoyl]amino]-4-(4-hydroxyphenyl)butanoyl]amino]pentanediamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C54H79N9O17
+CH$EXACT_MASS: 1125.559392
+CH$SMILES: O[C@H]1N(C([C@H](CC1)NC([C@H](CC(C)C)N2)=O)=O)C([C@H](C)O)C(N(C)[C@@H](CC3=CC=C(C=C3)OC)C(N[C@H](C(O[C@H]([C@@H](C2=O)NC([C@H](CCC(N)=O)NC([C@@H](CCC4=CC=C(C=C4)O)NC([C@@H](O)CO)=O)=O)=O)C)=O)[C@@H](C)CC)=O)=O
+CH$IUPAC: InChI=1S/C54H79N9O17/c1-9-28(4)43-54(78)80-30(6)44(61-47(71)36(20-22-41(55)68)56-46(70)35(57-50(74)40(67)26-64)19-14-31-10-15-33(66)16-11-31)51(75)59-38(24-27(2)3)48(72)58-37-21-23-42(69)63(52(37)76)45(29(5)65)53(77)62(7)39(49(73)60-43)25-32-12-17-34(79-8)18-13-32/h10-13,15-18,27-30,35-40,42-45,64-67,69H,9,14,19-26H2,1-8H3,(H2,55,68)(H,56,70)(H,57,74)(H,58,72)(H,59,75)(H,60,73)(H,61,71)/t28-,29-,30-,35+,36-,37-,38-,39-,40-,42+,43-,44-,45?/m0/s1
+CH$LINK: PUBCHEM CID:155802386
+CH$LINK: INCHIKEY WABVJCPIKZSXJF-POZIDFPQSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 116-1170
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.627 min
+MS$FOCUSED_ION: BASE_PEAK 554.7805
+MS$FOCUSED_ION: PRECURSOR_M/Z 1126.5667
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00mo-1302593724-25af37b9082f10dbfc43
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  212.1021 C7H12N6O2+ 2 212.1016 2.17
+  388.1861 C5H32N4O15+ 7 388.1859 0.59
+  460.1693 C5H30N7O17+ 8 460.1693 0.03
+  477.1973 C21H33O12+ 9 477.1967 1.29
+  501.27 C11H43N5O16+ 10 501.2699 0.2
+  519.2808 C27H35N8O3+ 11 519.2827 -3.5
+  573.2552 C28H37N4O9+ 10 573.2555 -0.47
+  590.2812 C42H38O3+ 10 590.2815 -0.54
+  608.2919 C27H46NO14+ 12 608.2913 0.94
+  632.3645 C46H48O2+ 13 632.3649 -0.61
+  697.3915 C50H51NO2+ 12 697.3914 0.04
+  715.4018 C50H53NO3+ 15 715.402 -0.25
+  843.461 C41H63N8O11+ 11 843.4611 -0.05
+  960.4347 C48H62N7O14+ 7 960.4349 -0.27
+  977.4621 C48H65N8O14+ 6 977.4615 0.66
+  995.4723 C48H67N8O15+ 5 995.472 0.27
+  1090.5453 C54H76N9O15+ 1 1090.5455 -0.26
+  1091.5324 C54H75N8O16+ 1 1091.5296 2.65
+  1108.5574 C54H78N9O16+ 1 1108.5561 1.18
+PK$NUM_PEAK: 19
+PK$PEAK: m/z int. rel.int.
+  212.1021 81169.3 20
+  388.1861 1265043.9 316
+  460.1693 54686.9 13
+  477.1973 2756459.2 690
+  501.27 649470.1 162
+  519.2808 302788 75
+  573.2552 89190.1 22
+  590.2812 3739968.5 936
+  608.2919 214925.5 53
+  632.3645 506638.2 126
+  697.3915 912297.8 228
+  715.4018 3989446.5 999
+  843.461 1263813.5 316
+  960.4347 120873.2 30
+  977.4621 871626.6 218
+  995.4723 1312104.8 328
+  1090.5453 408286.8 102
+  1091.5324 167023.2 41
+  1108.5574 1767649.4 442
+//
diff --git a/Eawag/MSBNK-EAWAG-ED042103.txt b/Eawag/MSBNK-EAWAG-ED042103.txt
new file mode 100644
index 0000000000..451c4ba19d
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED042103.txt
@@ -0,0 +1,95 @@
+ACCESSION: MSBNK-EAWAG-ED042103
+RECORD_TITLE: Planktopeptin BL 1125; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.05.01
+AUTHORS: E. Janssen [dtc], X. Wang [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 421
+CH$NAME: Planktopeptin BL 1125
+CH$NAME: (2S)-N-[(5S,8S,11S,12S,15S,18S,21R)-8-[(2S)-butan-2-yl]-21-hydroxy-2-[(1S)-1-hydroxyethyl]-5-[(4-methoxyphenyl)methyl]-4,11-dimethyl-15-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]-2-[[(2R)-2-[[(2S)-2,3-dihydroxypropanoyl]amino]-4-(4-hydroxyphenyl)butanoyl]amino]pentanediamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C54H79N9O17
+CH$EXACT_MASS: 1125.559392
+CH$SMILES: O[C@H]1N(C([C@H](CC1)NC([C@H](CC(C)C)N2)=O)=O)C([C@H](C)O)C(N(C)[C@@H](CC3=CC=C(C=C3)OC)C(N[C@H](C(O[C@H]([C@@H](C2=O)NC([C@H](CCC(N)=O)NC([C@@H](CCC4=CC=C(C=C4)O)NC([C@@H](O)CO)=O)=O)=O)C)=O)[C@@H](C)CC)=O)=O
+CH$IUPAC: InChI=1S/C54H79N9O17/c1-9-28(4)43-54(78)80-30(6)44(61-47(71)36(20-22-41(55)68)56-46(70)35(57-50(74)40(67)26-64)19-14-31-10-15-33(66)16-11-31)51(75)59-38(24-27(2)3)48(72)58-37-21-23-42(69)63(52(37)76)45(29(5)65)53(77)62(7)39(49(73)60-43)25-32-12-17-34(79-8)18-13-32/h10-13,15-18,27-30,35-40,42-45,64-67,69H,9,14,19-26H2,1-8H3,(H2,55,68)(H,56,70)(H,57,74)(H,58,72)(H,59,75)(H,60,73)(H,61,71)/t28-,29-,30-,35+,36-,37-,38-,39-,40-,42+,43-,44-,45?/m0/s1
+CH$LINK: PUBCHEM CID:155802386
+CH$LINK: INCHIKEY WABVJCPIKZSXJF-POZIDFPQSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 116-1170
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.627 min
+MS$FOCUSED_ION: BASE_PEAK 554.7805
+MS$FOCUSED_ION: PRECURSOR_M/Z 1126.5667
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-004i-0115943201-d00ce8b1758bca543b92
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  164.1066 C10H14NO+ 1 164.107 -2.08
+  197.0916 C9H13N2O3+ 2 197.0921 -2.6
+  212.1022 C7H12N6O2+ 2 212.1016 2.74
+  238.106 C10H14N4O3+ 1 238.106 -0.38
+  323.197 C17H27N2O4+ 6 323.1965 1.4
+  344.1595 C3H28N4O14+ 8 344.1597 -0.49
+  360.1908 C2H30N7O13+ 8 360.1896 3.37
+  370.1756 C5H30N4O14+ 6 370.1753 0.67
+  388.1861 C5H32N4O15+ 7 388.1859 0.59
+  394.1601 C3H30N4O17+ 8 394.16 0.18
+  428.2537 C9H40N4O14+ 10 428.2536 0.26
+  455.2648 C10H41N5O14+ 10 455.2645 0.77
+  456.2486 C10H40N4O15+ 10 456.2485 0.35
+  473.2746 C8H41N8O14+ 8 473.2737 1.89
+  477.1972 C21H33O12+ 10 477.1967 1.1
+  495.2083 C22H31N4O9+ 10 495.2086 -0.47
+  501.27 C11H43N5O16+ 10 501.2699 0.14
+  519.2803 C27H35N8O3+ 10 519.2827 -4.55
+  562.2862 C26H44NO12+ 11 562.2858 0.68
+  590.2813 C42H38O3+ 11 590.2815 -0.43
+  632.3646 C46H48O2+ 11 632.3649 -0.42
+  697.3912 C50H51NO2+ 14 697.3914 -0.31
+  715.4018 C50H53NO3+ 15 715.402 -0.34
+  977.4619 C48H65N8O14+ 6 977.4615 0.41
+  995.4716 C48H67N8O15+ 5 995.472 -0.41
+  1090.5445 C54H76N9O15+ 1 1090.5455 -0.93
+  1108.5541 C54H78N9O16+ 1 1108.5561 -1.79
+PK$NUM_PEAK: 27
+PK$PEAK: m/z int. rel.int.
+  164.1066 476497.6 123
+  197.0916 116725.4 30
+  212.1022 743044.8 192
+  238.106 122001.4 31
+  323.197 143097.4 37
+  344.1595 71732.7 18
+  360.1908 177351.7 46
+  370.1756 521341.6 135
+  388.1861 1899192 493
+  394.1601 212240.4 55
+  428.2537 76557.4 19
+  455.2648 40080.7 10
+  456.2486 220595 57
+  473.2746 177904.8 46
+  477.1972 3846867 999
+  495.2083 246425.3 63
+  501.27 767271.2 199
+  519.2803 213998.7 55
+  562.2862 240380.6 62
+  590.2813 1257350.4 326
+  632.3646 125717.1 32
+  697.3912 1600021.2 415
+  715.4018 1223096.4 317
+  977.4619 495586 128
+  995.4716 313170.3 81
+  1090.5445 153659.1 39
+  1108.5541 141008.2 36
+//
diff --git a/Eawag/MSBNK-EAWAG-ED042104.txt b/Eawag/MSBNK-EAWAG-ED042104.txt
new file mode 100644
index 0000000000..2039a1fffc
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED042104.txt
@@ -0,0 +1,107 @@
+ACCESSION: MSBNK-EAWAG-ED042104
+RECORD_TITLE: Planktopeptin BL 1125; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.05.01
+AUTHORS: E. Janssen [dtc], X. Wang [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 421
+CH$NAME: Planktopeptin BL 1125
+CH$NAME: (2S)-N-[(5S,8S,11S,12S,15S,18S,21R)-8-[(2S)-butan-2-yl]-21-hydroxy-2-[(1S)-1-hydroxyethyl]-5-[(4-methoxyphenyl)methyl]-4,11-dimethyl-15-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]-2-[[(2R)-2-[[(2S)-2,3-dihydroxypropanoyl]amino]-4-(4-hydroxyphenyl)butanoyl]amino]pentanediamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C54H79N9O17
+CH$EXACT_MASS: 1125.559392
+CH$SMILES: O[C@H]1N(C([C@H](CC1)NC([C@H](CC(C)C)N2)=O)=O)C([C@H](C)O)C(N(C)[C@@H](CC3=CC=C(C=C3)OC)C(N[C@H](C(O[C@H]([C@@H](C2=O)NC([C@H](CCC(N)=O)NC([C@@H](CCC4=CC=C(C=C4)O)NC([C@@H](O)CO)=O)=O)=O)C)=O)[C@@H](C)CC)=O)=O
+CH$IUPAC: InChI=1S/C54H79N9O17/c1-9-28(4)43-54(78)80-30(6)44(61-47(71)36(20-22-41(55)68)56-46(70)35(57-50(74)40(67)26-64)19-14-31-10-15-33(66)16-11-31)51(75)59-38(24-27(2)3)48(72)58-37-21-23-42(69)63(52(37)76)45(29(5)65)53(77)62(7)39(49(73)60-43)25-32-12-17-34(79-8)18-13-32/h10-13,15-18,27-30,35-40,42-45,64-67,69H,9,14,19-26H2,1-8H3,(H2,55,68)(H,56,70)(H,57,74)(H,58,72)(H,59,75)(H,60,73)(H,61,71)/t28-,29-,30-,35+,36-,37-,38-,39-,40-,42+,43-,44-,45?/m0/s1
+CH$LINK: PUBCHEM CID:155802386
+CH$LINK: INCHIKEY WABVJCPIKZSXJF-POZIDFPQSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 116-1170
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.627 min
+MS$FOCUSED_ION: BASE_PEAK 554.7805
+MS$FOCUSED_ION: PRECURSOR_M/Z 1126.5667
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03di-0978220000-941b5238fbd6b0582cc5
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  132.0655 C5H10NO3+ 1 132.0655 -0.22
+  133.0648 C9H9O+ 1 133.0648 -0.28
+  141.102 C7H13N2O+ 1 141.1022 -1.82
+  164.1067 C10H14NO+ 1 164.107 -1.99
+  167.0813 C8H11N2O2+ 1 167.0815 -1.07
+  169.0968 C8H13N2O2+ 1 169.0972 -2.34
+  169.1334 C9H17N2O+ 1 169.1335 -0.95
+  179.081 C9H11N2O2+ 2 179.0815 -3.09
+  194.092 C9H12N3O2+ 2 194.0924 -2.31
+  195.076 C9H11N2O3+ 2 195.0764 -1.92
+  197.0916 C9H13N2O3+ 2 197.0921 -2.6
+  212.1022 C7H12N6O2+ 2 212.1016 2.6
+  238.1066 C10H14N4O3+ 2 238.106 2.51
+  247.1426 C12H17N5O+ 3 247.1428 -0.75
+  265.1539 C12H19N5O2+ 4 265.1533 2.21
+  266.1015 C11H14N4O4+ 3 266.101 2.1
+  280.1645 C12H20N6O2+ 2 280.1642 0.9
+  297.1921 C14H25N4O3+ 6 297.1921 0.07
+  310.1754 H30N4O14+ 5 310.1753 0.34
+  342.1806 C19H24N3O3+ 7 342.1812 -1.88
+  344.1595 C3H28N4O14+ 6 344.1597 -0.31
+  360.1911 C2H30N7O13+ 6 360.1896 4.22
+  370.1754 C5H30N4O14+ 6 370.1753 0.17
+  388.1861 C5H32N4O15+ 6 388.1859 0.52
+  400.2585 C8H40N4O13+ 9 400.2586 -0.27
+  428.2538 C9H40N4O14+ 10 428.2536 0.55
+  455.2648 C10H41N5O14+ 10 455.2645 0.7
+  473.2739 C8H41N8O14+ 7 473.2737 0.41
+  495.208 C22H31N4O9+ 9 495.2086 -1.15
+  556.3126 C16H50N3O17+ 11 556.3135 -1.54
+  562.286 C26H44NO12+ 10 562.2858 0.35
+  573.2549 C28H37N4O9+ 11 573.2555 -1
+  584.307 C15H48N6O17+ 11 584.307 -0.1
+PK$NUM_PEAK: 33
+PK$PEAK: m/z int. rel.int.
+  132.0655 38971.6 23
+  133.0648 139625.4 83
+  141.102 38754.2 23
+  164.1067 1559605.8 929
+  167.0813 35799.1 21
+  169.0968 118558.9 70
+  169.1334 30144.8 17
+  179.081 215266.5 128
+  194.092 128452.2 76
+  195.076 182571.6 108
+  197.0916 411041.6 245
+  212.1022 1675977.5 999
+  238.1066 286501.2 170
+  247.1426 33350.9 19
+  265.1539 119274.4 71
+  266.1015 258302.2 153
+  280.1645 76740.7 45
+  297.1921 45299.3 27
+  310.1754 103202.3 61
+  342.1806 92002.5 54
+  344.1595 123617.1 73
+  360.1911 349342.5 208
+  370.1754 557663.3 332
+  388.1861 1474519 878
+  400.2585 87492.7 52
+  428.2538 144079.9 85
+  455.2648 106716 63
+  473.2739 181984.1 108
+  495.208 247005.4 147
+  556.3126 86935.8 51
+  562.286 393435.3 234
+  573.2549 64112 38
+  584.307 321251.6 191
+//
diff --git a/Eawag/MSBNK-EAWAG-ED042105.txt b/Eawag/MSBNK-EAWAG-ED042105.txt
new file mode 100644
index 0000000000..46b9df305d
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED042105.txt
@@ -0,0 +1,113 @@
+ACCESSION: MSBNK-EAWAG-ED042105
+RECORD_TITLE: Planktopeptin BL 1125; LC-ESI-QFT; MS2; CE: 35%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.05.01
+AUTHORS: E. Janssen [dtc], X. Wang [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 421
+CH$NAME: Planktopeptin BL 1125
+CH$NAME: (2S)-N-[(5S,8S,11S,12S,15S,18S,21R)-8-[(2S)-butan-2-yl]-21-hydroxy-2-[(1S)-1-hydroxyethyl]-5-[(4-methoxyphenyl)methyl]-4,11-dimethyl-15-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]-2-[[(2R)-2-[[(2S)-2,3-dihydroxypropanoyl]amino]-4-(4-hydroxyphenyl)butanoyl]amino]pentanediamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C54H79N9O17
+CH$EXACT_MASS: 1125.559392
+CH$SMILES: O[C@H]1N(C([C@H](CC1)NC([C@H](CC(C)C)N2)=O)=O)C([C@H](C)O)C(N(C)[C@@H](CC3=CC=C(C=C3)OC)C(N[C@H](C(O[C@H]([C@@H](C2=O)NC([C@H](CCC(N)=O)NC([C@@H](CCC4=CC=C(C=C4)O)NC([C@@H](O)CO)=O)=O)=O)C)=O)[C@@H](C)CC)=O)=O
+CH$IUPAC: InChI=1S/C54H79N9O17/c1-9-28(4)43-54(78)80-30(6)44(61-47(71)36(20-22-41(55)68)56-46(70)35(57-50(74)40(67)26-64)19-14-31-10-15-33(66)16-11-31)51(75)59-38(24-27(2)3)48(72)58-37-21-23-42(69)63(52(37)76)45(29(5)65)53(77)62(7)39(49(73)60-43)25-32-12-17-34(79-8)18-13-32/h10-13,15-18,27-30,35-40,42-45,64-67,69H,9,14,19-26H2,1-8H3,(H2,55,68)(H,56,70)(H,57,74)(H,58,72)(H,59,75)(H,60,73)(H,61,71)/t28-,29-,30-,35+,36-,37-,38-,39-,40-,42+,43-,44-,45?/m0/s1
+CH$LINK: PUBCHEM CID:155802386
+CH$LINK: INCHIKEY WABVJCPIKZSXJF-POZIDFPQSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 35 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 116-1170
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.627 min
+MS$FOCUSED_ION: BASE_PEAK 554.7805
+MS$FOCUSED_ION: PRECURSOR_M/Z 1126.5667
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03di-0951200000-21e70c3ec11954d9882c
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  124.0758 C7H10NO+ 1 124.0757 1.2
+  132.0657 C5H10NO3+ 1 132.0655 1.51
+  133.0647 C9H9O+ 1 133.0648 -0.4
+  136.0392 C7H6NO2+ 1 136.0393 -0.43
+  141.1021 C7H13N2O+ 1 141.1022 -1.06
+  151.0863 C8H11N2O+ 1 151.0866 -2.11
+  153.0655 C7H9N2O2+ 1 153.0659 -2.3
+  164.1067 C10H14NO+ 1 164.107 -1.99
+  167.0809 C8H11N2O2+ 2 167.0815 -3.9
+  169.0967 C8H13N2O2+ 1 169.0972 -2.61
+  169.1331 C9H17N2O+ 1 169.1335 -2.76
+  179.0811 C9H11N2O2+ 1 179.0815 -2.49
+  194.0916 C9H12N3O2+ 2 194.0924 -3.88
+  195.0758 C9H11N2O3+ 2 195.0764 -2.93
+  197.0915 C9H13N2O3+ 2 197.0921 -3.14
+  212.1022 C7H12N6O2+ 2 212.1016 2.74
+  230.1164 C12H14N4O+ 1 230.1162 0.77
+  238.1064 C10H14N4O3+ 2 238.106 1.67
+  247.1429 C12H17N5O+ 2 247.1428 0.73
+  265.1535 C12H19N5O2+ 2 265.1533 0.83
+  266.1014 C11H14N4O4+ 3 266.101 1.64
+  266.1486 C11H18N6O2+ 1 266.1486 -0.01
+  275.1379 C13H17N5O2+ 3 275.1377 0.81
+  280.1648 C12H20N6O2+ 4 280.1642 2.21
+  283.1277 C11H17N5O4+ 3 283.1275 0.81
+  308.1602 C15H22N3O4+ 5 308.1605 -0.92
+  323.1963 C17H27N2O4+ 6 323.1965 -0.68
+  388.1857 C5H32N4O15+ 8 388.1859 -0.35
+  394.1601 C3H30N4O17+ 8 394.16 0.18
+  400.259 C8H40N4O13+ 8 400.2586 0.87
+  455.2648 C10H41N5O14+ 10 455.2645 0.77
+  477.1972 C21H33O12+ 10 477.1967 1.1
+  495.2083 C22H31N4O9+ 10 495.2086 -0.6
+  501.2697 C11H43N5O16+ 10 501.2699 -0.47
+  584.3069 C15H48N6O17+ 11 584.307 -0.2
+  590.2818 C42H38O3+ 11 590.2815 0.4
+PK$NUM_PEAK: 36
+PK$PEAK: m/z int. rel.int.
+  124.0758 27340.7 10
+  132.0657 96247.8 37
+  133.0647 327668.4 128
+  136.0392 62128.9 24
+  141.1021 72597.6 28
+  151.0863 88816.6 34
+  153.0655 50482.6 19
+  164.1067 2538806 999
+  167.0809 95204.6 37
+  169.0967 299687.7 117
+  169.1331 67366 26
+  179.0811 387989.3 152
+  194.0916 251981.2 99
+  195.0758 363865 143
+  197.0915 671443.9 264
+  212.1022 1818331.8 715
+  230.1164 120672.6 47
+  238.1064 406755.3 160
+  247.1429 79366.1 31
+  265.1535 210678.2 82
+  266.1014 335866.9 132
+  266.1486 60613.6 23
+  275.1379 57196.4 22
+  280.1648 221106.9 87
+  283.1277 78007.3 30
+  308.1602 30558 12
+  323.1963 163873.2 64
+  388.1857 721626.3 283
+  394.1601 262330.2 103
+  400.259 148757.8 58
+  455.2648 113241.3 44
+  477.1972 909137.8 357
+  495.2083 127305.8 50
+  501.2697 112931.3 44
+  584.3069 131562.9 51
+  590.2818 62995.8 24
+//
diff --git a/Eawag/MSBNK-EAWAG-ED042106.txt b/Eawag/MSBNK-EAWAG-ED042106.txt
new file mode 100644
index 0000000000..5ed2e0c3f8
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED042106.txt
@@ -0,0 +1,119 @@
+ACCESSION: MSBNK-EAWAG-ED042106
+RECORD_TITLE: Planktopeptin BL 1125; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.05.01
+AUTHORS: E. Janssen [dtc], X. Wang [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 421
+CH$NAME: Planktopeptin BL 1125
+CH$NAME: (2S)-N-[(5S,8S,11S,12S,15S,18S,21R)-8-[(2S)-butan-2-yl]-21-hydroxy-2-[(1S)-1-hydroxyethyl]-5-[(4-methoxyphenyl)methyl]-4,11-dimethyl-15-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]-2-[[(2R)-2-[[(2S)-2,3-dihydroxypropanoyl]amino]-4-(4-hydroxyphenyl)butanoyl]amino]pentanediamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C54H79N9O17
+CH$EXACT_MASS: 1125.559392
+CH$SMILES: O[C@H]1N(C([C@H](CC1)NC([C@H](CC(C)C)N2)=O)=O)C([C@H](C)O)C(N(C)[C@@H](CC3=CC=C(C=C3)OC)C(N[C@H](C(O[C@H]([C@@H](C2=O)NC([C@H](CCC(N)=O)NC([C@@H](CCC4=CC=C(C=C4)O)NC([C@@H](O)CO)=O)=O)=O)C)=O)[C@@H](C)CC)=O)=O
+CH$IUPAC: InChI=1S/C54H79N9O17/c1-9-28(4)43-54(78)80-30(6)44(61-47(71)36(20-22-41(55)68)56-46(70)35(57-50(74)40(67)26-64)19-14-31-10-15-33(66)16-11-31)51(75)59-38(24-27(2)3)48(72)58-37-21-23-42(69)63(52(37)76)45(29(5)65)53(77)62(7)39(49(73)60-43)25-32-12-17-34(79-8)18-13-32/h10-13,15-18,27-30,35-40,42-45,64-67,69H,9,14,19-26H2,1-8H3,(H2,55,68)(H,56,70)(H,57,74)(H,58,72)(H,59,75)(H,60,73)(H,61,71)/t28-,29-,30-,35+,36-,37-,38-,39-,40-,42+,43-,44-,45?/m0/s1
+CH$LINK: PUBCHEM CID:155802386
+CH$LINK: INCHIKEY WABVJCPIKZSXJF-POZIDFPQSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 116-1170
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.627 min
+MS$FOCUSED_ION: BASE_PEAK 554.7805
+MS$FOCUSED_ION: PRECURSOR_M/Z 1126.5667
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03di-0910000000-29477716e890027bb78a
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  121.0649 C8H9O+ 1 121.0648 0.84
+  124.0758 C7H10NO+ 1 124.0757 1.2
+  126.0916 C7H12NO+ 1 126.0913 1.96
+  132.0654 C5H10NO3+ 1 132.0655 -0.69
+  133.0648 C9H9O+ 1 133.0648 0.06
+  141.1021 C7H13N2O+ 1 141.1022 -0.96
+  149.0838 C9H11NO+ 1 149.0835 1.94
+  150.0549 C8H8NO2+ 1 150.055 -0.04
+  151.0864 C8H11N2O+ 1 151.0866 -1.1
+  153.0658 C7H9N2O2+ 1 153.0659 -0.31
+  164.1067 C10H14NO+ 1 164.107 -1.62
+  167.0812 C8H11N2O2+ 1 167.0815 -1.89
+  169.0968 C8H13N2O2+ 1 169.0972 -1.8
+  169.133 C9H17N2O+ 2 169.1335 -3.48
+  179.0811 C9H11N2O2+ 1 179.0815 -2.32
+  184.1076 C8H14N3O2+ 2 184.1081 -2.7
+  187.1437 C9H19N2O2+ 2 187.1441 -2.38
+  194.0919 C9H12N3O2+ 2 194.0924 -2.55
+  195.0759 C9H11N2O3+ 2 195.0764 -2.86
+  197.0915 C9H13N2O3+ 2 197.0921 -2.67
+  221.1277 C10H15N5O+ 2 221.1271 2.76
+  230.1162 C12H14N4O+ 1 230.1162 -0.09
+  237.1581 C11H19N5O+ 3 237.1584 -1.31
+  238.1065 C10H14N4O3+ 2 238.106 2.12
+  247.1431 C12H17N5O+ 2 247.1428 1.41
+  252.1692 C11H20N6O+ 3 252.1693 -0.37
+  265.1539 C12H19N5O2+ 4 265.1533 2.21
+  266.1492 C11H18N6O2+ 3 266.1486 2.29
+  280.1646 C12H20N6O2+ 2 280.1642 1.23
+  308.1603 C15H22N3O4+ 5 308.1605 -0.72
+  310.1753 H30N4O14+ 5 310.1753 0.05
+  323.1967 C17H27N2O4+ 6 323.1965 0.55
+  342.1812 C19H24N3O3+ 6 342.1812 -0.01
+  344.1595 C3H28N4O14+ 8 344.1597 -0.49
+  360.1886 C2H30N7O13+ 6 360.1896 -2.73
+  370.1751 C5H30N4O14+ 8 370.1753 -0.65
+  394.1603 C3H30N4O17+ 8 394.16 0.57
+  400.2585 C8H40N4O13+ 9 400.2586 -0.35
+  484.2444 C26H34N3O6+ 9 484.2442 0.36
+PK$NUM_PEAK: 39
+PK$PEAK: m/z int. rel.int.
+  121.0649 55454.8 19
+  124.0758 70053.2 24
+  126.0916 64271.8 22
+  132.0654 205163.2 72
+  133.0648 507012.2 179
+  141.1021 145744.8 51
+  149.0838 31250.1 11
+  150.0549 63145.9 22
+  151.0864 206651.1 73
+  153.0658 102914.8 36
+  164.1067 2821826.5 999
+  167.0812 190503.1 67
+  169.0968 606567.8 214
+  169.133 84423.8 29
+  179.0811 544604.6 192
+  184.1076 30023.2 10
+  187.1437 28286 10
+  194.0919 320358.7 113
+  195.0759 492151.4 174
+  197.0915 718042.2 254
+  221.1277 41459.8 14
+  230.1162 198546.7 70
+  237.1581 83046.1 29
+  238.1065 389595 137
+  247.1431 103156.4 36
+  252.1692 54231.8 19
+  265.1539 206072.9 72
+  266.1492 67356.4 23
+  280.1646 274654.2 97
+  308.1603 40507.1 14
+  310.1753 62802.6 22
+  323.1967 94649.6 33
+  342.1812 98346.6 34
+  344.1595 57444.8 20
+  360.1886 151538.7 53
+  370.1751 147419 52
+  394.1603 136657.7 48
+  400.2585 113983.8 40
+  484.2444 36557.9 12
+//
diff --git a/Eawag/MSBNK-EAWAG-ED042107.txt b/Eawag/MSBNK-EAWAG-ED042107.txt
new file mode 100644
index 0000000000..6599123e0f
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED042107.txt
@@ -0,0 +1,117 @@
+ACCESSION: MSBNK-EAWAG-ED042107
+RECORD_TITLE: Planktopeptin BL 1125; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.05.01
+AUTHORS: E. Janssen [dtc], X. Wang [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 421
+CH$NAME: Planktopeptin BL 1125
+CH$NAME: (2S)-N-[(5S,8S,11S,12S,15S,18S,21R)-8-[(2S)-butan-2-yl]-21-hydroxy-2-[(1S)-1-hydroxyethyl]-5-[(4-methoxyphenyl)methyl]-4,11-dimethyl-15-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]-2-[[(2R)-2-[[(2S)-2,3-dihydroxypropanoyl]amino]-4-(4-hydroxyphenyl)butanoyl]amino]pentanediamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C54H79N9O17
+CH$EXACT_MASS: 1125.559392
+CH$SMILES: O[C@H]1N(C([C@H](CC1)NC([C@H](CC(C)C)N2)=O)=O)C([C@H](C)O)C(N(C)[C@@H](CC3=CC=C(C=C3)OC)C(N[C@H](C(O[C@H]([C@@H](C2=O)NC([C@H](CCC(N)=O)NC([C@@H](CCC4=CC=C(C=C4)O)NC([C@@H](O)CO)=O)=O)=O)C)=O)[C@@H](C)CC)=O)=O
+CH$IUPAC: InChI=1S/C54H79N9O17/c1-9-28(4)43-54(78)80-30(6)44(61-47(71)36(20-22-41(55)68)56-46(70)35(57-50(74)40(67)26-64)19-14-31-10-15-33(66)16-11-31)51(75)59-38(24-27(2)3)48(72)58-37-21-23-42(69)63(52(37)76)45(29(5)65)53(77)62(7)39(49(73)60-43)25-32-12-17-34(79-8)18-13-32/h10-13,15-18,27-30,35-40,42-45,64-67,69H,9,14,19-26H2,1-8H3,(H2,55,68)(H,56,70)(H,57,74)(H,58,72)(H,59,75)(H,60,73)(H,61,71)/t28-,29-,30-,35+,36-,37-,38-,39-,40-,42+,43-,44-,45?/m0/s1
+CH$LINK: PUBCHEM CID:155802386
+CH$LINK: INCHIKEY WABVJCPIKZSXJF-POZIDFPQSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 116-1170
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.627 min
+MS$FOCUSED_ION: BASE_PEAK 554.7805
+MS$FOCUSED_ION: PRECURSOR_M/Z 1126.5667
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03e9-0910000000-56aa43d13ebadaa57aef
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  121.0645 C8H9O+ 1 121.0648 -2.63
+  122.06 C7H8NO+ 1 122.06 -0.41
+  123.0916 C7H11N2+ 1 123.0917 -0.95
+  124.0756 C7H10NO+ 1 124.0757 -0.59
+  125.0712 C6H9N2O+ 1 125.0709 2.06
+  126.0912 C7H12NO+ 1 126.0913 -0.89
+  132.0656 C5H10NO3+ 1 132.0655 0.35
+  132.0802 C9H10N+ 1 132.0808 -4.36
+  133.0647 C9H9O+ 1 133.0648 -0.74
+  134.0599 C8H8NO+ 1 134.06 -1.06
+  135.0805 C9H11O+ 1 135.0804 0.28
+  136.0392 C7H6NO2+ 1 136.0393 -0.76
+  139.0866 C7H11N2O+ 1 139.0866 0.03
+  141.102 C7H13N2O+ 1 141.1022 -1.39
+  141.1387 C8H17N2+ 1 141.1386 0.82
+  142.1224 C8H16NO+ 1 142.1226 -1.76
+  149.0834 C9H11NO+ 1 149.0835 -0.93
+  150.0548 C8H8NO2+ 1 150.055 -0.75
+  151.0863 C8H11N2O+ 1 151.0866 -1.81
+  153.0655 C7H9N2O2+ 1 153.0659 -2
+  162.055 C9H8NO2+ 1 162.055 0.17
+  164.1066 C10H14NO+ 1 164.107 -2.45
+  167.0811 C8H11N2O2+ 1 167.0815 -2.17
+  169.0967 C8H13N2O2+ 1 169.0972 -2.7
+  169.1332 C9H17N2O+ 1 169.1335 -2.22
+  179.081 C9H11N2O2+ 2 179.0815 -2.58
+  187.1433 C9H19N2O2+ 2 187.1441 -4.18
+  194.0916 C9H12N3O2+ 2 194.0924 -3.88
+  195.0756 C9H11N2O3+ 2 195.0764 -3.95
+  197.0913 C9H13N2O3+ 2 197.0921 -3.91
+  197.1266 C8H15N5O+ 3 197.1271 -2.56
+  212.1021 C7H12N6O2+ 2 212.1016 2.46
+  221.128 C10H15N5O+ 2 221.1271 3.79
+  230.1165 C12H14N4O+ 2 230.1162 1.1
+  238.1059 C10H14N4O3+ 3 238.106 -0.76
+  252.1692 C11H20N6O+ 3 252.1693 -0.37
+  265.1538 C12H19N5O2+ 2 265.1533 1.63
+  280.1648 C12H20N6O2+ 4 280.1642 1.99
+PK$NUM_PEAK: 38
+PK$PEAK: m/z int. rel.int.
+  121.0645 118852.3 44
+  122.06 74211.9 27
+  123.0916 80638 29
+  124.0756 191383.1 70
+  125.0712 43441.9 16
+  126.0912 116046.6 43
+  132.0656 358335.5 132
+  132.0802 46948 17
+  133.0647 704495.9 261
+  134.0599 41377.7 15
+  135.0805 49152.5 18
+  136.0392 125775.1 46
+  139.0866 27453.6 10
+  141.102 248844.9 92
+  141.1387 33780.9 12
+  142.1224 37652.8 13
+  149.0834 121752.7 45
+  150.0548 175013.6 64
+  151.0863 527995.4 195
+  153.0655 103855.3 38
+  162.055 61798.9 22
+  164.1066 2694439.8 999
+  167.0811 405729.1 150
+  169.0967 761402.1 282
+  169.1332 107942.8 40
+  179.081 497369.8 184
+  187.1433 35557.4 13
+  194.0916 270927 100
+  195.0756 437897.8 162
+  197.0913 299964 111
+  197.1266 74308 27
+  212.1021 263400.2 97
+  221.128 32532 12
+  230.1165 298666.2 110
+  238.1059 180566.2 66
+  252.1692 56534.5 20
+  265.1538 111771.4 41
+  280.1648 134056.7 49
+//
diff --git a/Eawag/MSBNK-EAWAG-ED042108.txt b/Eawag/MSBNK-EAWAG-ED042108.txt
new file mode 100644
index 0000000000..59bb46c726
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED042108.txt
@@ -0,0 +1,113 @@
+ACCESSION: MSBNK-EAWAG-ED042108
+RECORD_TITLE: Planktopeptin BL 1125; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.05.01
+AUTHORS: E. Janssen [dtc], X. Wang [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 421
+CH$NAME: Planktopeptin BL 1125
+CH$NAME: (2S)-N-[(5S,8S,11S,12S,15S,18S,21R)-8-[(2S)-butan-2-yl]-21-hydroxy-2-[(1S)-1-hydroxyethyl]-5-[(4-methoxyphenyl)methyl]-4,11-dimethyl-15-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]-2-[[(2R)-2-[[(2S)-2,3-dihydroxypropanoyl]amino]-4-(4-hydroxyphenyl)butanoyl]amino]pentanediamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C54H79N9O17
+CH$EXACT_MASS: 1125.559392
+CH$SMILES: O[C@H]1N(C([C@H](CC1)NC([C@H](CC(C)C)N2)=O)=O)C([C@H](C)O)C(N(C)[C@@H](CC3=CC=C(C=C3)OC)C(N[C@H](C(O[C@H]([C@@H](C2=O)NC([C@H](CCC(N)=O)NC([C@@H](CCC4=CC=C(C=C4)O)NC([C@@H](O)CO)=O)=O)=O)C)=O)[C@@H](C)CC)=O)=O
+CH$IUPAC: InChI=1S/C54H79N9O17/c1-9-28(4)43-54(78)80-30(6)44(61-47(71)36(20-22-41(55)68)56-46(70)35(57-50(74)40(67)26-64)19-14-31-10-15-33(66)16-11-31)51(75)59-38(24-27(2)3)48(72)58-37-21-23-42(69)63(52(37)76)45(29(5)65)53(77)62(7)39(49(73)60-43)25-32-12-17-34(79-8)18-13-32/h10-13,15-18,27-30,35-40,42-45,64-67,69H,9,14,19-26H2,1-8H3,(H2,55,68)(H,56,70)(H,57,74)(H,58,72)(H,59,75)(H,60,73)(H,61,71)/t28-,29-,30-,35+,36-,37-,38-,39-,40-,42+,43-,44-,45?/m0/s1
+CH$LINK: PUBCHEM CID:155802386
+CH$LINK: INCHIKEY WABVJCPIKZSXJF-POZIDFPQSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 116-1170
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.627 min
+MS$FOCUSED_ION: BASE_PEAK 554.7805
+MS$FOCUSED_ION: PRECURSOR_M/Z 1126.5667
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03di-0900000000-c51766acc469e01acee8
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  121.065 C8H9O+ 1 121.0648 1.66
+  122.0599 C7H8NO+ 1 122.06 -0.79
+  123.0805 C8H11O+ 1 123.0804 0.44
+  123.0918 C7H11N2+ 1 123.0917 0.73
+  124.0755 C7H10NO+ 1 124.0757 -1.45
+  124.1117 C8H14N+ 1 124.1121 -3.11
+  125.0708 C6H9N2O+ 1 125.0709 -1.3
+  126.0914 C7H12NO+ 1 126.0913 0.2
+  132.0655 C5H10NO3+ 1 132.0655 0.12
+  132.0802 C9H10N+ 1 132.0808 -4.02
+  133.0647 C9H9O+ 1 133.0648 -0.51
+  134.0601 C8H8NO+ 1 134.06 0.53
+  135.08 C9H11O+ 1 135.0804 -3.33
+  136.039 C7H6NO2+ 1 136.0393 -2.56
+  136.1117 C9H14N+ 1 136.1121 -2.8
+  139.0866 C7H11N2O+ 1 139.0866 -0.08
+  140.0704 C7H10NO2+ 1 140.0706 -1.3
+  141.1022 C7H13N2O+ 1 141.1022 -0.09
+  141.1385 C8H17N2+ 1 141.1386 -0.91
+  149.0834 C9H11NO+ 1 149.0835 -0.73
+  150.0548 C8H8NO2+ 1 150.055 -1.26
+  151.0864 C8H11N2O+ 1 151.0866 -1.5
+  152.1068 C9H14NO+ 1 152.107 -1.11
+  153.0657 C7H9N2O2+ 1 153.0659 -1
+  162.055 C9H8NO2+ 1 162.055 0.54
+  164.1066 C10H14NO+ 1 164.107 -2.08
+  166.0972 C8H12N3O+ 1 166.0975 -1.51
+  167.0812 C8H11N2O2+ 1 167.0815 -2.08
+  169.0968 C8H13N2O2+ 1 169.0972 -2.25
+  179.0811 C9H11N2O2+ 1 179.0815 -2.06
+  188.1059 C10H12N4+ 1 188.1056 1.33
+  194.0922 C9H12N3O2+ 1 194.0924 -1.13
+  195.0759 C9H11N2O3+ 2 195.0764 -2.86
+  197.0921 C9H13N2O3+ 1 197.0921 0.19
+  230.1165 C12H14N4O+ 2 230.1162 1.03
+  265.1532 C12H19N5O2+ 3 265.1533 -0.55
+PK$NUM_PEAK: 36
+PK$PEAK: m/z int. rel.int.
+  121.065 157644.6 78
+  122.0599 117104.5 58
+  123.0805 30925.1 15
+  123.0918 143849.2 71
+  124.0755 261516.3 129
+  124.1117 56900.7 28
+  125.0708 53055.7 26
+  126.0914 118590.4 58
+  132.0655 248937.7 123
+  132.0802 72997.1 36
+  133.0647 604471.8 299
+  134.0601 86050.3 42
+  135.08 82694.7 40
+  136.039 81101.8 40
+  136.1117 27523 13
+  139.0866 38166.2 18
+  140.0704 36774.5 18
+  141.1022 198554 98
+  141.1385 46295.5 22
+  149.0834 238956.7 118
+  150.0548 227275.3 112
+  151.0864 537717.6 266
+  152.1068 39026.1 19
+  153.0657 64560.3 31
+  162.055 38605.5 19
+  164.1066 2016427.9 999
+  166.0972 115164 57
+  167.0812 281486.5 139
+  169.0968 420157.8 208
+  179.0811 277893.8 137
+  188.1059 34009 16
+  194.0922 96672.6 47
+  195.0759 139554.4 69
+  197.0921 63037.7 31
+  230.1165 192710.5 95
+  265.1532 44808.4 22
+//
diff --git a/Eawag/MSBNK-EAWAG-ED042109.txt b/Eawag/MSBNK-EAWAG-ED042109.txt
new file mode 100644
index 0000000000..0a9ab03292
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED042109.txt
@@ -0,0 +1,103 @@
+ACCESSION: MSBNK-EAWAG-ED042109
+RECORD_TITLE: Planktopeptin BL 1125; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.05.01
+AUTHORS: E. Janssen [dtc], X. Wang [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 421
+CH$NAME: Planktopeptin BL 1125
+CH$NAME: (2S)-N-[(5S,8S,11S,12S,15S,18S,21R)-8-[(2S)-butan-2-yl]-21-hydroxy-2-[(1S)-1-hydroxyethyl]-5-[(4-methoxyphenyl)methyl]-4,11-dimethyl-15-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]-2-[[(2R)-2-[[(2S)-2,3-dihydroxypropanoyl]amino]-4-(4-hydroxyphenyl)butanoyl]amino]pentanediamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C54H79N9O17
+CH$EXACT_MASS: 1125.559392
+CH$SMILES: O[C@H]1N(C([C@H](CC1)NC([C@H](CC(C)C)N2)=O)=O)C([C@H](C)O)C(N(C)[C@@H](CC3=CC=C(C=C3)OC)C(N[C@H](C(O[C@H]([C@@H](C2=O)NC([C@H](CCC(N)=O)NC([C@@H](CCC4=CC=C(C=C4)O)NC([C@@H](O)CO)=O)=O)=O)C)=O)[C@@H](C)CC)=O)=O
+CH$IUPAC: InChI=1S/C54H79N9O17/c1-9-28(4)43-54(78)80-30(6)44(61-47(71)36(20-22-41(55)68)56-46(70)35(57-50(74)40(67)26-64)19-14-31-10-15-33(66)16-11-31)51(75)59-38(24-27(2)3)48(72)58-37-21-23-42(69)63(52(37)76)45(29(5)65)53(77)62(7)39(49(73)60-43)25-32-12-17-34(79-8)18-13-32/h10-13,15-18,27-30,35-40,42-45,64-67,69H,9,14,19-26H2,1-8H3,(H2,55,68)(H,56,70)(H,57,74)(H,58,72)(H,59,75)(H,60,73)(H,61,71)/t28-,29-,30-,35+,36-,37-,38-,39-,40-,42+,43-,44-,45?/m0/s1
+CH$LINK: PUBCHEM CID:155802386
+CH$LINK: INCHIKEY WABVJCPIKZSXJF-POZIDFPQSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 116-1170
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.627 min
+MS$FOCUSED_ION: BASE_PEAK 554.7805
+MS$FOCUSED_ION: PRECURSOR_M/Z 1126.5667
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03di-0900000000-ec40e9a50bb3a5acbff2
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  117.057 C8H7N+ 1 117.0573 -2.95
+  121.0648 C8H9O+ 1 121.0648 0.02
+  122.0598 C7H8NO+ 1 122.06 -2.1
+  123.0556 C6H7N2O+ 1 123.0553 2.78
+  123.0916 C7H11N2+ 1 123.0917 -0.7
+  124.0755 C7H10NO+ 1 124.0757 -1.14
+  124.1119 C8H14N+ 1 124.1121 -1.33
+  125.0711 C6H9N2O+ 1 125.0709 1.2
+  126.091 C7H12NO+ 1 126.0913 -2.88
+  133.0647 C9H9O+ 1 133.0648 -0.97
+  134.0598 C8H8NO+ 1 134.06 -1.63
+  135.0805 C9H11O+ 1 135.0804 0.39
+  136.0393 C7H6NO2+ 1 136.0393 -0.2
+  136.112 C9H14N+ 1 136.1121 -0.78
+  140.0703 C7H10NO2+ 1 140.0706 -2.28
+  141.1023 C7H13N2O+ 1 141.1022 0.67
+  141.1385 C8H17N2+ 1 141.1386 -1.02
+  142.1227 C8H16NO+ 1 142.1226 0.18
+  149.0834 C9H11NO+ 1 149.0835 -0.52
+  150.0548 C8H8NO2+ 1 150.055 -1.26
+  151.0863 C8H11N2O+ 1 151.0866 -1.71
+  152.1066 C9H14NO+ 1 152.107 -2.41
+  153.0656 C7H9N2O2+ 1 153.0659 -1.7
+  164.1066 C10H14NO+ 1 164.107 -2.27
+  166.0968 C8H12N3O+ 2 166.0975 -4.18
+  167.0811 C8H11N2O2+ 1 167.0815 -2.44
+  169.0968 C8H13N2O2+ 1 169.0972 -2.34
+  179.081 C9H11N2O2+ 2 179.0815 -2.75
+  195.076 C9H11N2O3+ 2 195.0764 -2.31
+  202.1222 C11H14N4+ 2 202.1213 4.25
+  230.1168 C12H14N4O+ 2 230.1162 2.69
+PK$NUM_PEAK: 31
+PK$PEAK: m/z int. rel.int.
+  117.057 48883.5 37
+  121.0648 197031.6 152
+  122.0598 165535.7 128
+  123.0556 17762.1 13
+  123.0916 139040.3 107
+  124.0755 253275.3 196
+  124.1119 37538.5 29
+  125.0711 58370.4 45
+  126.091 97117.5 75
+  133.0647 507324.9 393
+  134.0598 108236.9 83
+  135.0805 96159.6 74
+  136.0393 61714.1 47
+  136.112 34393.7 26
+  140.0703 33076.9 25
+  141.1023 99947.6 77
+  141.1385 25637.4 19
+  142.1227 26715.5 20
+  149.0834 355199.6 275
+  150.0548 175360.3 135
+  151.0863 335346.9 259
+  152.1066 26171.3 20
+  153.0656 42167.7 32
+  164.1066 1288563.8 999
+  166.0968 65666.9 50
+  167.0811 141971.9 110
+  169.0968 157603.8 122
+  179.081 98493.1 76
+  195.076 34230.5 26
+  202.1222 44830.5 34
+  230.1168 83360 64
+//
diff --git a/Eawag/MSBNK-EAWAG-ED042151.txt b/Eawag/MSBNK-EAWAG-ED042151.txt
new file mode 100644
index 0000000000..8110d0e09f
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED042151.txt
@@ -0,0 +1,49 @@
+ACCESSION: MSBNK-EAWAG-ED042151
+RECORD_TITLE: Planktopeptin BL 1125; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.05.01
+AUTHORS: E. Janssen [dtc], X. Wang [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 421
+CH$NAME: Planktopeptin BL 1125
+CH$NAME: (2S)-N-[(5S,8S,11S,12S,15S,18S,21R)-8-[(2S)-butan-2-yl]-21-hydroxy-2-[(1S)-1-hydroxyethyl]-5-[(4-methoxyphenyl)methyl]-4,11-dimethyl-15-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]-2-[[(2R)-2-[[(2S)-2,3-dihydroxypropanoyl]amino]-4-(4-hydroxyphenyl)butanoyl]amino]pentanediamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C54H79N9O17
+CH$EXACT_MASS: 1125.559392
+CH$SMILES: O[C@H]1N(C([C@H](CC1)NC([C@H](CC(C)C)N2)=O)=O)C([C@H](C)O)C(N(C)[C@@H](CC3=CC=C(C=C3)OC)C(N[C@H](C(O[C@H]([C@@H](C2=O)NC([C@H](CCC(N)=O)NC([C@@H](CCC4=CC=C(C=C4)O)NC([C@@H](O)CO)=O)=O)=O)C)=O)[C@@H](C)CC)=O)=O
+CH$IUPAC: InChI=1S/C54H79N9O17/c1-9-28(4)43-54(78)80-30(6)44(61-47(71)36(20-22-41(55)68)56-46(70)35(57-50(74)40(67)26-64)19-14-31-10-15-33(66)16-11-31)51(75)59-38(24-27(2)3)48(72)58-37-21-23-42(69)63(52(37)76)45(29(5)65)53(77)62(7)39(49(73)60-43)25-32-12-17-34(79-8)18-13-32/h10-13,15-18,27-30,35-40,42-45,64-67,69H,9,14,19-26H2,1-8H3,(H2,55,68)(H,56,70)(H,57,74)(H,58,72)(H,59,75)(H,60,73)(H,61,71)/t28-,29-,30-,35+,36-,37-,38-,39-,40-,42+,43-,44-,45?/m0/s1
+CH$LINK: PUBCHEM CID:155802386
+CH$LINK: INCHIKEY WABVJCPIKZSXJF-POZIDFPQSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 116-1168
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.614 min
+MS$FOCUSED_ION: BASE_PEAK 835.4479
+MS$FOCUSED_ION: PRECURSOR_M/Z 1124.5521
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00e9-6900000000-d57a1810783a6602378b
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  807.3893 C36H55N8O13- 14 807.3894 -0.12
+  1080.5256 C52H74N9O16- 2 1080.5259 -0.25
+  1081.5193 C53H75N7O17- 1 1081.5225 -2.96
+  1124.5522 C54H78N9O17- 1 1124.5521 0.04
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  807.3893 503667.9 42
+  1080.5256 7555688.5 630
+  1081.5193 467032.4 38
+  1124.5522 11977432 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED042152.txt b/Eawag/MSBNK-EAWAG-ED042152.txt
new file mode 100644
index 0000000000..b3184249e5
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED042152.txt
@@ -0,0 +1,51 @@
+ACCESSION: MSBNK-EAWAG-ED042152
+RECORD_TITLE: Planktopeptin BL 1125; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.05.01
+AUTHORS: E. Janssen [dtc], X. Wang [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2b (tentative)
+COMMENT: CyanoMetDB_ID 421
+CH$NAME: Planktopeptin BL 1125
+CH$NAME: (2S)-N-[(5S,8S,11S,12S,15S,18S,21R)-8-[(2S)-butan-2-yl]-21-hydroxy-2-[(1S)-1-hydroxyethyl]-5-[(4-methoxyphenyl)methyl]-4,11-dimethyl-15-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]-2-[[(2R)-2-[[(2S)-2,3-dihydroxypropanoyl]amino]-4-(4-hydroxyphenyl)butanoyl]amino]pentanediamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C54H79N9O17
+CH$EXACT_MASS: 1125.559392
+CH$SMILES: O[C@H]1N(C([C@H](CC1)NC([C@H](CC(C)C)N2)=O)=O)C([C@H](C)O)C(N(C)[C@@H](CC3=CC=C(C=C3)OC)C(N[C@H](C(O[C@H]([C@@H](C2=O)NC([C@H](CCC(N)=O)NC([C@@H](CCC4=CC=C(C=C4)O)NC([C@@H](O)CO)=O)=O)=O)C)=O)[C@@H](C)CC)=O)=O
+CH$IUPAC: InChI=1S/C54H79N9O17/c1-9-28(4)43-54(78)80-30(6)44(61-47(71)36(20-22-41(55)68)56-46(70)35(57-50(74)40(67)26-64)19-14-31-10-15-33(66)16-11-31)51(75)59-38(24-27(2)3)48(72)58-37-21-23-42(69)63(52(37)76)45(29(5)65)53(77)62(7)39(49(73)60-43)25-32-12-17-34(79-8)18-13-32/h10-13,15-18,27-30,35-40,42-45,64-67,69H,9,14,19-26H2,1-8H3,(H2,55,68)(H,56,70)(H,57,74)(H,58,72)(H,59,75)(H,60,73)(H,61,71)/t28-,29-,30-,35+,36-,37-,38-,39-,40-,42+,43-,44-,45?/m0/s1
+CH$LINK: PUBCHEM CID:155802386
+CH$LINK: INCHIKEY WABVJCPIKZSXJF-POZIDFPQSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 116-1168
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.614 min
+MS$FOCUSED_ION: BASE_PEAK 835.4479
+MS$FOCUSED_ION: PRECURSOR_M/Z 1124.5521
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00e9-7900000010-c2de20150586941f0a99
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  763.3628 C48H49N3O6- 14 763.3627 0.12
+  807.3894 C36H55N8O13- 14 807.3894 -0.04
+  1080.5262 C52H74N9O16- 2 1080.5259 0.32
+  1081.5206 C53H75N7O17- 1 1081.5225 -1.72
+  1124.5524 C54H78N9O17- 1 1124.5521 0.26
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  763.3628 833803.1 101
+  807.3894 1002520.4 121
+  1080.5262 6228961 757
+  1081.5206 405450 49
+  1124.5524 8213465 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED042153.txt b/Eawag/MSBNK-EAWAG-ED042153.txt
new file mode 100644
index 0000000000..d447f0601f
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED042153.txt
@@ -0,0 +1,53 @@
+ACCESSION: MSBNK-EAWAG-ED042153
+RECORD_TITLE: Planktopeptin BL 1125; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.05.01
+AUTHORS: E. Janssen [dtc], X. Wang [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 421
+CH$NAME: Planktopeptin BL 1125
+CH$NAME: (2S)-N-[(5S,8S,11S,12S,15S,18S,21R)-8-[(2S)-butan-2-yl]-21-hydroxy-2-[(1S)-1-hydroxyethyl]-5-[(4-methoxyphenyl)methyl]-4,11-dimethyl-15-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]-2-[[(2R)-2-[[(2S)-2,3-dihydroxypropanoyl]amino]-4-(4-hydroxyphenyl)butanoyl]amino]pentanediamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C54H79N9O17
+CH$EXACT_MASS: 1125.559392
+CH$SMILES: O[C@H]1N(C([C@H](CC1)NC([C@H](CC(C)C)N2)=O)=O)C([C@H](C)O)C(N(C)[C@@H](CC3=CC=C(C=C3)OC)C(N[C@H](C(O[C@H]([C@@H](C2=O)NC([C@H](CCC(N)=O)NC([C@@H](CCC4=CC=C(C=C4)O)NC([C@@H](O)CO)=O)=O)=O)C)=O)[C@@H](C)CC)=O)=O
+CH$IUPAC: InChI=1S/C54H79N9O17/c1-9-28(4)43-54(78)80-30(6)44(61-47(71)36(20-22-41(55)68)56-46(70)35(57-50(74)40(67)26-64)19-14-31-10-15-33(66)16-11-31)51(75)59-38(24-27(2)3)48(72)58-37-21-23-42(69)63(52(37)76)45(29(5)65)53(77)62(7)39(49(73)60-43)25-32-12-17-34(79-8)18-13-32/h10-13,15-18,27-30,35-40,42-45,64-67,69H,9,14,19-26H2,1-8H3,(H2,55,68)(H,56,70)(H,57,74)(H,58,72)(H,59,75)(H,60,73)(H,61,71)/t28-,29-,30-,35+,36-,37-,38-,39-,40-,42+,43-,44-,45?/m0/s1
+CH$LINK: PUBCHEM CID:155802386
+CH$LINK: INCHIKEY WABVJCPIKZSXJF-POZIDFPQSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 116-1168
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.614 min
+MS$FOCUSED_ION: BASE_PEAK 835.4479
+MS$FOCUSED_ION: PRECURSOR_M/Z 1124.5521
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-001i-9400000100-3084e911fce5f2622c9e
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  492.209 C21H34NO12- 10 492.2086 0.67
+  687.3723 C34H51N6O9- 14 687.3723 0
+  763.3627 C48H49N3O6- 14 763.3627 0.04
+  1080.5259 C52H74N9O16- 2 1080.5259 -0.02
+  1081.5208 C53H75N7O17- 1 1081.5225 -1.61
+  1124.5523 C54H78N9O17- 1 1124.5521 0.15
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  492.209 145197.6 16
+  687.3723 418253.1 48
+  763.3627 1650555.8 192
+  1080.5259 8573689 999
+  1081.5208 549679.5 64
+  1124.5523 4066253 473
+//
diff --git a/Eawag/MSBNK-EAWAG-ED042154.txt b/Eawag/MSBNK-EAWAG-ED042154.txt
new file mode 100644
index 0000000000..900c3738db
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED042154.txt
@@ -0,0 +1,67 @@
+ACCESSION: MSBNK-EAWAG-ED042154
+RECORD_TITLE: Planktopeptin BL 1125; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.05.01
+AUTHORS: E. Janssen [dtc], X. Wang [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 421
+CH$NAME: Planktopeptin BL 1125
+CH$NAME: (2S)-N-[(5S,8S,11S,12S,15S,18S,21R)-8-[(2S)-butan-2-yl]-21-hydroxy-2-[(1S)-1-hydroxyethyl]-5-[(4-methoxyphenyl)methyl]-4,11-dimethyl-15-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]-2-[[(2R)-2-[[(2S)-2,3-dihydroxypropanoyl]amino]-4-(4-hydroxyphenyl)butanoyl]amino]pentanediamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C54H79N9O17
+CH$EXACT_MASS: 1125.559392
+CH$SMILES: O[C@H]1N(C([C@H](CC1)NC([C@H](CC(C)C)N2)=O)=O)C([C@H](C)O)C(N(C)[C@@H](CC3=CC=C(C=C3)OC)C(N[C@H](C(O[C@H]([C@@H](C2=O)NC([C@H](CCC(N)=O)NC([C@@H](CCC4=CC=C(C=C4)O)NC([C@@H](O)CO)=O)=O)=O)C)=O)[C@@H](C)CC)=O)=O
+CH$IUPAC: InChI=1S/C54H79N9O17/c1-9-28(4)43-54(78)80-30(6)44(61-47(71)36(20-22-41(55)68)56-46(70)35(57-50(74)40(67)26-64)19-14-31-10-15-33(66)16-11-31)51(75)59-38(24-27(2)3)48(72)58-37-21-23-42(69)63(52(37)76)45(29(5)65)53(77)62(7)39(49(73)60-43)25-32-12-17-34(79-8)18-13-32/h10-13,15-18,27-30,35-40,42-45,64-67,69H,9,14,19-26H2,1-8H3,(H2,55,68)(H,56,70)(H,57,74)(H,58,72)(H,59,75)(H,60,73)(H,61,71)/t28-,29-,30-,35+,36-,37-,38-,39-,40-,42+,43-,44-,45?/m0/s1
+CH$LINK: PUBCHEM CID:155802386
+CH$LINK: INCHIKEY WABVJCPIKZSXJF-POZIDFPQSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 116-1168
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.614 min
+MS$FOCUSED_ION: BASE_PEAK 835.4479
+MS$FOCUSED_ION: PRECURSOR_M/Z 1124.5521
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-001i-9000003100-26eadb6c897677223389
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  140.035 C6H6NO3- 1 140.0353 -2.18
+  246.0754 C11H10N4O3- 3 246.0758 -1.83
+  264.0872 C11H12N4O4- 3 264.0864 3.19
+  281.1134 C11H15N5O4- 4 281.113 1.69
+  473.2399 C9H39N5O16- 10 473.2397 0.4
+  492.2088 C21H34NO12- 8 492.2086 0.24
+  604.3347 C44H44O2- 11 604.3347 0.06
+  687.372 C48H49NO3- 13 687.3718 0.3
+  763.3626 C48H49N3O6- 14 763.3627 -0.12
+  1062.515 C52H72N9O15- 2 1062.5153 -0.36
+  1080.526 C52H74N9O16- 2 1080.5259 0.09
+  1081.5197 C53H75N7O17- 1 1081.5225 -2.62
+  1124.5527 C54H78N9O17- 1 1124.5521 0.48
+PK$NUM_PEAK: 13
+PK$PEAK: m/z int. rel.int.
+  140.035 71809.2 13
+  246.0754 76527 14
+  264.0872 104549.6 20
+  281.1134 124310.7 23
+  473.2399 59507.4 11
+  492.2088 418698.9 80
+  604.3347 847958.1 162
+  687.372 1223035.4 234
+  763.3626 829456.8 159
+  1062.515 159476.2 30
+  1080.526 5201302.5 999
+  1081.5197 335453.2 64
+  1124.5527 400744.5 76
+//
diff --git a/Eawag/MSBNK-EAWAG-ED042155.txt b/Eawag/MSBNK-EAWAG-ED042155.txt
new file mode 100644
index 0000000000..4a5b829e7f
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED042155.txt
@@ -0,0 +1,123 @@
+ACCESSION: MSBNK-EAWAG-ED042155
+RECORD_TITLE: Planktopeptin BL 1125; LC-ESI-QFT; MS2; CE: 35%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.05.01
+AUTHORS: E. Janssen [dtc], X. Wang [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 421
+CH$NAME: Planktopeptin BL 1125
+CH$NAME: (2S)-N-[(5S,8S,11S,12S,15S,18S,21R)-8-[(2S)-butan-2-yl]-21-hydroxy-2-[(1S)-1-hydroxyethyl]-5-[(4-methoxyphenyl)methyl]-4,11-dimethyl-15-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]-2-[[(2R)-2-[[(2S)-2,3-dihydroxypropanoyl]amino]-4-(4-hydroxyphenyl)butanoyl]amino]pentanediamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C54H79N9O17
+CH$EXACT_MASS: 1125.559392
+CH$SMILES: O[C@H]1N(C([C@H](CC1)NC([C@H](CC(C)C)N2)=O)=O)C([C@H](C)O)C(N(C)[C@@H](CC3=CC=C(C=C3)OC)C(N[C@H](C(O[C@H]([C@@H](C2=O)NC([C@H](CCC(N)=O)NC([C@@H](CCC4=CC=C(C=C4)O)NC([C@@H](O)CO)=O)=O)=O)C)=O)[C@@H](C)CC)=O)=O
+CH$IUPAC: InChI=1S/C54H79N9O17/c1-9-28(4)43-54(78)80-30(6)44(61-47(71)36(20-22-41(55)68)56-46(70)35(57-50(74)40(67)26-64)19-14-31-10-15-33(66)16-11-31)51(75)59-38(24-27(2)3)48(72)58-37-21-23-42(69)63(52(37)76)45(29(5)65)53(77)62(7)39(49(73)60-43)25-32-12-17-34(79-8)18-13-32/h10-13,15-18,27-30,35-40,42-45,64-67,69H,9,14,19-26H2,1-8H3,(H2,55,68)(H,56,70)(H,57,74)(H,58,72)(H,59,75)(H,60,73)(H,61,71)/t28-,29-,30-,35+,36-,37-,38-,39-,40-,42+,43-,44-,45?/m0/s1
+CH$LINK: PUBCHEM CID:155802386
+CH$LINK: INCHIKEY WABVJCPIKZSXJF-POZIDFPQSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 35 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 116-1168
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.614 min
+MS$FOCUSED_ION: BASE_PEAK 835.4479
+MS$FOCUSED_ION: PRECURSOR_M/Z 1124.5521
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0f79-0483109000-63d411de8b05189e8f92
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  126.0196 C5H4NO3- 1 126.0197 -0.48
+  127.0511 C5H7N2O2- 1 127.0513 -1.43
+  128.0352 C5H6NO3- 1 128.0353 -0.54
+  130.0871 C6H12NO2- 1 130.0874 -1.64
+  140.035 C6H6NO3- 1 140.0353 -2.18
+  144.0777 C5H10N3O2- 1 144.0779 -1.19
+  149.0718 C8H9N2O- 1 149.072 -1.46
+  169.0978 C8H13N2O2- 1 169.0983 -2.48
+  181.0611 C6H7N5O2- 2 181.0605 3.28
+  181.0976 C9H13N2O2- 2 181.0983 -3.6
+  182.0928 C6H10N6O- 2 182.0922 3.59
+  204.0655 C9H8N4O2- 1 204.0653 1.25
+  208.097 C9H12N4O2- 2 208.0966 2.14
+  209.1037 C8H17O6- 3 209.1031 2.93
+  210.0871 C7H10N6O2- 1 210.0871 0.15
+  212.14 C8H16N6O- 2 212.1391 4.02
+  220.145 C12H18N3O- 2 220.1455 -2.43
+  227.1146 C8H19O7- 3 227.1136 4.47
+  233.0924 C10H11N5O2- 2 233.0918 2.27
+  234.0761 C10H10N4O3- 2 234.0758 0.97
+  246.0758 C11H10N4O3- 1 246.0758 -0.35
+  247.108 C11H13N5O2- 2 247.1075 2.29
+  251.1029 C10H13N5O3- 2 251.1024 2.04
+  257.1608 C10H25O7- 3 257.1606 1.04
+  264.0869 C11H12N4O4- 3 264.0864 1.92
+  264.1691 C10H18N9- 2 264.1691 -0.01
+  281.1134 C11H15N5O4- 4 281.113 1.69
+  286.1193 H22N4O13- 5 286.1189 1.29
+  314.1832 C13H24N5O4- 6 314.1834 -0.55
+  321.1832 C18H21N6- 6 321.1833 -0.35
+  339.166 C13H21N7O4- 5 339.1661 -0.09
+  340.199 C15H26N5O4- 7 340.199 0.05
+  370.2086 CH34N6O15- 6 370.2088 -0.48
+  378.2025 C4H34N4O15- 8 378.2026 -0.43
+  396.2284 C8H36N4O13- 9 396.2284 -0.19
+  409.1706 C30H21N2- 7 409.171 -0.95
+  442.2429 C20H34N4O7- 9 442.2433 -0.93
+  473.2405 C9H39N5O16- 10 473.2397 1.69
+  604.3347 C44H44O2- 11 604.3347 0.06
+  687.3721 C34H51N6O9- 13 687.3723 -0.35
+  1050.5161 C53H74N6O16- 2 1050.5167 -0.52
+PK$NUM_PEAK: 41
+PK$PEAK: m/z int. rel.int.
+  126.0196 122070.9 123
+  127.0511 150178.7 151
+  128.0352 25713.9 25
+  130.0871 113352.8 114
+  140.035 211637 213
+  144.0777 17447.8 17
+  149.0718 37506.1 37
+  169.0978 81829.7 82
+  181.0611 32590.3 32
+  181.0976 36520.6 36
+  182.0928 39817.9 40
+  204.0655 40076.7 40
+  208.097 158216.9 159
+  209.1037 40679.4 41
+  210.0871 68445.5 69
+  212.14 34435.4 34
+  220.145 41335.5 41
+  227.1146 78105.7 78
+  233.0924 37655.1 37
+  234.0761 174721.6 176
+  246.0758 123230.6 124
+  247.108 167924.6 169
+  251.1029 137982.3 139
+  257.1608 75120.5 75
+  264.0869 159616.7 161
+  264.1691 56269.5 56
+  281.1134 238673.7 240
+  286.1193 30240.7 30
+  314.1832 51893.5 52
+  321.1832 133750.3 134
+  339.166 30816.4 31
+  340.199 28329.6 28
+  370.2086 160379.1 161
+  378.2025 111545.7 112
+  396.2284 83605.3 84
+  409.1706 82096.9 82
+  442.2429 32085.8 32
+  473.2405 109179.2 110
+  604.3347 783385.1 790
+  687.3721 990222.2 999
+  1050.5161 95397.4 96
+//
diff --git a/Eawag/MSBNK-EAWAG-ED042156.txt b/Eawag/MSBNK-EAWAG-ED042156.txt
new file mode 100644
index 0000000000..092d133e66
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED042156.txt
@@ -0,0 +1,125 @@
+ACCESSION: MSBNK-EAWAG-ED042156
+RECORD_TITLE: Planktopeptin BL 1125; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.05.01
+AUTHORS: E. Janssen [dtc], X. Wang [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 421
+CH$NAME: Planktopeptin BL 1125
+CH$NAME: (2S)-N-[(5S,8S,11S,12S,15S,18S,21R)-8-[(2S)-butan-2-yl]-21-hydroxy-2-[(1S)-1-hydroxyethyl]-5-[(4-methoxyphenyl)methyl]-4,11-dimethyl-15-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]-2-[[(2R)-2-[[(2S)-2,3-dihydroxypropanoyl]amino]-4-(4-hydroxyphenyl)butanoyl]amino]pentanediamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C54H79N9O17
+CH$EXACT_MASS: 1125.559392
+CH$SMILES: O[C@H]1N(C([C@H](CC1)NC([C@H](CC(C)C)N2)=O)=O)C([C@H](C)O)C(N(C)[C@@H](CC3=CC=C(C=C3)OC)C(N[C@H](C(O[C@H]([C@@H](C2=O)NC([C@H](CCC(N)=O)NC([C@@H](CCC4=CC=C(C=C4)O)NC([C@@H](O)CO)=O)=O)=O)C)=O)[C@@H](C)CC)=O)=O
+CH$IUPAC: InChI=1S/C54H79N9O17/c1-9-28(4)43-54(78)80-30(6)44(61-47(71)36(20-22-41(55)68)56-46(70)35(57-50(74)40(67)26-64)19-14-31-10-15-33(66)16-11-31)51(75)59-38(24-27(2)3)48(72)58-37-21-23-42(69)63(52(37)76)45(29(5)65)53(77)62(7)39(49(73)60-43)25-32-12-17-34(79-8)18-13-32/h10-13,15-18,27-30,35-40,42-45,64-67,69H,9,14,19-26H2,1-8H3,(H2,55,68)(H,56,70)(H,57,74)(H,58,72)(H,59,75)(H,60,73)(H,61,71)/t28-,29-,30-,35+,36-,37-,38-,39-,40-,42+,43-,44-,45?/m0/s1
+CH$LINK: PUBCHEM CID:155802386
+CH$LINK: INCHIKEY WABVJCPIKZSXJF-POZIDFPQSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 116-1168
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.614 min
+MS$FOCUSED_ION: BASE_PEAK 835.4479
+MS$FOCUSED_ION: PRECURSOR_M/Z 1124.5521
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-001i-0891001000-2cf6077fcfbe4fbf2086
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  126.0194 C5H4NO3- 1 126.0197 -2.48
+  127.0512 C5H7N2O2- 1 127.0513 -0.77
+  128.0353 C5H6NO3- 1 128.0353 0.18
+  129.1035 C6H13N2O- 1 129.1033 0.89
+  130.0872 C6H12NO2- 1 130.0874 -1.17
+  140.0349 C6H6NO3- 1 140.0353 -2.62
+  144.0777 C5H10N3O2- 1 144.0779 -0.98
+  149.0713 C8H9N2O- 2 149.072 -4.63
+  155.1186 C8H15N2O- 1 155.119 -2.18
+  164.1075 C10H14NO- 2 164.1081 -3.82
+  169.0977 C8H13N2O2- 2 169.0983 -3.11
+  175.0505 C7H5N5O- 2 175.05 3.11
+  180.0775 C8H10N3O2- 1 180.0779 -2.19
+  181.0616 C8H9N2O3- 1 181.0619 -1.69
+  184.0722 C7H10N3O3- 2 184.0728 -2.97
+  186.1245 C8H16N3O2- 1 186.1248 -1.78
+  192.0771 C9H10N3O2- 2 192.0779 -3.65
+  193.0977 C8H11N5O- 2 193.0969 4.13
+  195.1135 C10H15N2O2- 2 195.1139 -2.21
+  204.0655 C9H8N4O2- 1 204.0653 1.25
+  208.0969 C9H12N4O2- 2 208.0966 1.78
+  210.0871 C7H10N6O2- 1 210.0871 0.15
+  212.1393 C8H16N6O- 1 212.1391 0.71
+  216.0663 C10H8N4O2- 2 216.0653 4.77
+  233.092 C10H11N5O2- 2 233.0918 0.96
+  234.0761 C10H10N4O3- 2 234.0758 1.1
+  246.0767 C11H10N4O3- 2 246.0758 3.56
+  246.1482 C13H18N4O- 4 246.1486 -1.72
+  247.1077 C11H13N5O2- 2 247.1075 1.12
+  251.1028 C10H13N5O3- 2 251.1024 1.49
+  252.1341 C12H18N3O3- 2 252.1354 -4.9
+  257.1609 C10H25O7- 3 257.1606 1.16
+  264.0863 C11H12N4O4- 3 264.0864 -0.28
+  279.1458 C13H19N4O3- 4 279.1463 -1.69
+  281.1135 C11H15N5O4- 4 281.113 2.01
+  283.1411 C12H19N4O4- 3 283.1412 -0.43
+  314.183 C13H24N5O4- 4 314.1834 -1.23
+  321.1829 C18H21N6- 5 321.1833 -1.2
+  339.1657 C13H21N7O4- 5 339.1661 -0.99
+  444.1895 C8H34N3O17- 10 444.1894 0.19
+  473.2401 C9H39N5O16- 11 473.2397 0.85
+  687.3714 C48H49NO3- 13 687.3718 -0.59
+PK$NUM_PEAK: 42
+PK$PEAK: m/z int. rel.int.
+  126.0194 125452.9 372
+  127.0512 234312.9 696
+  128.0353 25498.9 75
+  129.1035 32558.2 96
+  130.0872 283192.2 841
+  140.0349 249593.2 741
+  144.0777 67135.7 199
+  149.0713 78458.5 233
+  155.1186 21571.1 64
+  164.1075 70949.3 210
+  169.0977 166422.8 494
+  175.0505 18422.6 54
+  180.0775 36952 109
+  181.0616 49803.6 147
+  184.0722 36811.4 109
+  186.1245 29612.3 87
+  192.0771 158201.6 469
+  193.0977 25812.5 76
+  195.1135 49372 146
+  204.0655 60585.1 179
+  208.0969 169530.1 503
+  210.0871 60152 178
+  212.1393 63615.2 188
+  216.0663 31777.2 94
+  233.092 95435.3 283
+  234.0761 218837.8 650
+  246.0767 98068.3 291
+  246.1482 54879.8 163
+  247.1077 336310.8 999
+  251.1028 252501.1 750
+  252.1341 25474.8 75
+  257.1609 194652 578
+  264.0863 78613.7 233
+  279.1458 29682.7 88
+  281.1135 180208.3 535
+  283.1411 25391.5 75
+  314.183 160191.5 475
+  321.1829 194688.7 578
+  339.1657 28466.3 84
+  444.1895 31885.8 94
+  473.2401 93598 278
+  687.3714 296943 882
+//
diff --git a/Eawag/MSBNK-EAWAG-ED042157.txt b/Eawag/MSBNK-EAWAG-ED042157.txt
new file mode 100644
index 0000000000..601f7f2a9d
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED042157.txt
@@ -0,0 +1,147 @@
+ACCESSION: MSBNK-EAWAG-ED042157
+RECORD_TITLE: Planktopeptin BL 1125; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.05.01
+AUTHORS: E. Janssen [dtc], X. Wang [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 421
+CH$NAME: Planktopeptin BL 1125
+CH$NAME: (2S)-N-[(5S,8S,11S,12S,15S,18S,21R)-8-[(2S)-butan-2-yl]-21-hydroxy-2-[(1S)-1-hydroxyethyl]-5-[(4-methoxyphenyl)methyl]-4,11-dimethyl-15-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]-2-[[(2R)-2-[[(2S)-2,3-dihydroxypropanoyl]amino]-4-(4-hydroxyphenyl)butanoyl]amino]pentanediamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C54H79N9O17
+CH$EXACT_MASS: 1125.559392
+CH$SMILES: O[C@H]1N(C([C@H](CC1)NC([C@H](CC(C)C)N2)=O)=O)C([C@H](C)O)C(N(C)[C@@H](CC3=CC=C(C=C3)OC)C(N[C@H](C(O[C@H]([C@@H](C2=O)NC([C@H](CCC(N)=O)NC([C@@H](CCC4=CC=C(C=C4)O)NC([C@@H](O)CO)=O)=O)=O)C)=O)[C@@H](C)CC)=O)=O
+CH$IUPAC: InChI=1S/C54H79N9O17/c1-9-28(4)43-54(78)80-30(6)44(61-47(71)36(20-22-41(55)68)56-46(70)35(57-50(74)40(67)26-64)19-14-31-10-15-33(66)16-11-31)51(75)59-38(24-27(2)3)48(72)58-37-21-23-42(69)63(52(37)76)45(29(5)65)53(77)62(7)39(49(73)60-43)25-32-12-17-34(79-8)18-13-32/h10-13,15-18,27-30,35-40,42-45,64-67,69H,9,14,19-26H2,1-8H3,(H2,55,68)(H,56,70)(H,57,74)(H,58,72)(H,59,75)(H,60,73)(H,61,71)/t28-,29-,30-,35+,36-,37-,38-,39-,40-,42+,43-,44-,45?/m0/s1
+CH$LINK: PUBCHEM CID:155802386
+CH$LINK: INCHIKEY WABVJCPIKZSXJF-POZIDFPQSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 116-1168
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.614 min
+MS$FOCUSED_ION: BASE_PEAK 835.4479
+MS$FOCUSED_ION: PRECURSOR_M/Z 1124.5521
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0kcv-0950000000-2b7f6e5c8e21adee75f3
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  119.05 C8H7O- 1 119.0502 -1.6
+  121.0412 C6H5N2O- 1 121.0407 3.89
+  122.0249 C6H4NO2- 1 122.0248 1.09
+  125.0357 C5H5N2O2- 1 125.0357 0.57
+  126.0197 C5H4NO3- 1 126.0197 0.12
+  127.0512 C5H7N2O2- 1 127.0513 -1.13
+  129.1032 C6H13N2O- 1 129.1033 -0.88
+  130.0872 C6H12NO2- 1 130.0874 -0.82
+  131.0464 C4H7N2O3- 1 131.0462 1.68
+  139.0512 C6H7N2O2- 1 139.0513 -0.51
+  139.0874 C7H11N2O- 1 139.0877 -1.78
+  140.0351 C6H6NO3- 1 140.0353 -1.42
+  143.119 C7H15N2O- 1 143.119 0.24
+  144.0776 C5H10N3O2- 1 144.0779 -2.04
+  145.062 C5H9N2O3- 1 145.0619 0.84
+  149.0716 C8H9N2O- 1 149.072 -2.99
+  151.0875 C8H11N2O- 1 151.0877 -1.5
+  155.0822 C7H11N2O2- 1 155.0826 -2.71
+  155.1186 C8H15N2O- 1 155.119 -2.28
+  156.0781 C6H10N3O2- 1 156.0779 1.39
+  160.0765 C10H10NO- 1 160.0768 -2.04
+  164.1073 C8H12N4- 2 164.1067 3.62
+  167.1188 C9H15N2O- 1 167.119 -0.84
+  169.0976 C8H13N2O2- 2 169.0983 -3.56
+  170.0568 C6H8N3O3- 1 170.0571 -2.08
+  176.071 C10H10NO2- 2 176.0717 -4.25
+  180.0776 C8H10N3O2- 1 180.0779 -1.43
+  181.0609 C6H7N5O2- 1 181.0605 2.27
+  181.0974 C9H13N2O2- 2 181.0983 -4.44
+  182.0923 C6H10N6O- 1 182.0922 0.91
+  186.1243 C8H16N3O2- 2 186.1248 -2.85
+  198.0877 C8H12N3O3- 2 198.0884 -3.48
+  200.1393 C7H16N6O- 1 200.1391 1.12
+  204.0654 C9H8N4O2- 1 204.0653 0.66
+  208.0961 C9H12N4O2- 3 208.0966 -2.48
+  209.104 C8H17O6- 3 209.1031 4.46
+  216.0662 C10H8N4O2- 2 216.0653 4.34
+  220.1455 C12H18N3O- 1 220.1455 -0.35
+  221.0913 C9H11N5O2- 3 221.0918 -2.43
+  222.1244 C11H16N3O2- 2 222.1248 -1.69
+  229.0977 C11H11N5O- 3 229.0969 3.63
+  233.0924 C10H11N5O2- 2 233.0918 2.4
+  234.076 C10H10N4O3- 2 234.0758 0.84
+  243.1128 C12H13N5O- 2 243.1126 0.86
+  247.1077 C11H13N5O2- 2 247.1075 0.99
+  251.1024 C10H13N5O3- 1 251.1024 0.1
+  257.1609 C10H25O7- 3 257.1606 1.4
+  279.1459 C13H19N4O3- 4 279.1463 -1.25
+  283.1418 C12H19N4O4- 4 283.1412 2.16
+  304.1299 C15H18N3O4- 5 304.1303 -1.23
+  314.1822 C13H24N5O4- 4 314.1834 -3.76
+  370.2087 CH34N6O15- 6 370.2088 -0.07
+  417.2154 C21H29N4O5- 8 417.2143 2.52
+PK$NUM_PEAK: 53
+PK$PEAK: m/z int. rel.int.
+  119.05 52847.5 139
+  121.0412 21299.7 56
+  122.0249 22905.9 60
+  125.0357 67231.2 178
+  126.0197 115448.6 305
+  127.0512 313924.7 831
+  129.1032 109080.8 288
+  130.0872 377222.4 999
+  131.0464 19713.7 52
+  139.0512 27309.6 72
+  139.0874 32234.2 85
+  140.0351 123561.9 327
+  143.119 27207.4 72
+  144.0776 265823 703
+  145.062 18581.3 49
+  149.0716 133720.8 354
+  151.0875 24395.8 64
+  155.0822 28608 75
+  155.1186 57538 152
+  156.0781 37800.5 100
+  160.0765 46251.7 122
+  164.1073 67045 177
+  167.1188 15549 41
+  169.0976 186139.1 492
+  170.0568 97902 259
+  176.071 24875.2 65
+  180.0776 83087.6 220
+  181.0609 63877.1 169
+  181.0974 41245.7 109
+  182.0923 85917 227
+  186.1243 45978 121
+  198.0877 15966.2 42
+  200.1393 149551 396
+  204.0654 31439.4 83
+  208.0961 62143.4 164
+  209.104 27457.6 72
+  216.0662 11181.4 29
+  220.1455 27830.2 73
+  221.0913 17663.6 46
+  222.1244 18026 47
+  229.0977 24559.4 65
+  233.0924 141897.2 375
+  234.076 116223.3 307
+  243.1128 18741.8 49
+  247.1077 270811.4 717
+  251.1024 178104.9 471
+  257.1609 361992.2 958
+  279.1459 34213.8 90
+  283.1418 38549.8 102
+  304.1299 98995.1 262
+  314.1822 120761.7 319
+  370.2087 14697.5 38
+  417.2154 19660.3 52
+//
diff --git a/Eawag/MSBNK-EAWAG-ED042158.txt b/Eawag/MSBNK-EAWAG-ED042158.txt
new file mode 100644
index 0000000000..ea10b8f7d4
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED042158.txt
@@ -0,0 +1,129 @@
+ACCESSION: MSBNK-EAWAG-ED042158
+RECORD_TITLE: Planktopeptin BL 1125; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.05.01
+AUTHORS: E. Janssen [dtc], X. Wang [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 421
+CH$NAME: Planktopeptin BL 1125
+CH$NAME: (2S)-N-[(5S,8S,11S,12S,15S,18S,21R)-8-[(2S)-butan-2-yl]-21-hydroxy-2-[(1S)-1-hydroxyethyl]-5-[(4-methoxyphenyl)methyl]-4,11-dimethyl-15-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]-2-[[(2R)-2-[[(2S)-2,3-dihydroxypropanoyl]amino]-4-(4-hydroxyphenyl)butanoyl]amino]pentanediamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C54H79N9O17
+CH$EXACT_MASS: 1125.559392
+CH$SMILES: O[C@H]1N(C([C@H](CC1)NC([C@H](CC(C)C)N2)=O)=O)C([C@H](C)O)C(N(C)[C@@H](CC3=CC=C(C=C3)OC)C(N[C@H](C(O[C@H]([C@@H](C2=O)NC([C@H](CCC(N)=O)NC([C@@H](CCC4=CC=C(C=C4)O)NC([C@@H](O)CO)=O)=O)=O)C)=O)[C@@H](C)CC)=O)=O
+CH$IUPAC: InChI=1S/C54H79N9O17/c1-9-28(4)43-54(78)80-30(6)44(61-47(71)36(20-22-41(55)68)56-46(70)35(57-50(74)40(67)26-64)19-14-31-10-15-33(66)16-11-31)51(75)59-38(24-27(2)3)48(72)58-37-21-23-42(69)63(52(37)76)45(29(5)65)53(77)62(7)39(49(73)60-43)25-32-12-17-34(79-8)18-13-32/h10-13,15-18,27-30,35-40,42-45,64-67,69H,9,14,19-26H2,1-8H3,(H2,55,68)(H,56,70)(H,57,74)(H,58,72)(H,59,75)(H,60,73)(H,61,71)/t28-,29-,30-,35+,36-,37-,38-,39-,40-,42+,43-,44-,45?/m0/s1
+CH$LINK: PUBCHEM CID:155802386
+CH$LINK: INCHIKEY WABVJCPIKZSXJF-POZIDFPQSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 116-1168
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.614 min
+MS$FOCUSED_ION: BASE_PEAK 835.4479
+MS$FOCUSED_ION: PRECURSOR_M/Z 1124.5521
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0036-0920000000-440816e7087cd9ac3607
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  119.0502 C8H7O- 1 119.0502 -0.39
+  121.041 C6H5N2O- 1 121.0407 2.25
+  122.0246 C6H4NO2- 1 122.0248 -0.85
+  123.0564 C6H7N2O- 1 123.0564 -0.05
+  125.0354 C5H5N2O2- 1 125.0357 -1.93
+  126.0192 C5H4NO3- 1 126.0197 -3.45
+  127.0512 C5H7N2O2- 1 127.0513 -0.71
+  129.1032 C6H13N2O- 1 129.1033 -1.11
+  130.0872 C6H12NO2- 1 130.0874 -1.29
+  137.0716 C7H9N2O- 1 137.072 -3.18
+  138.0674 C6H8N3O- 1 138.0673 0.53
+  139.0874 C7H11N2O- 1 139.0877 -2.33
+  140.035 C6H6NO3- 1 140.0353 -2.08
+  141.0666 C6H9N2O2- 1 141.067 -2.83
+  141.1031 C7H13N2O- 1 141.1033 -1.81
+  142.0621 C5H8N3O2- 1 142.0622 -0.7
+  143.1185 C7H15N2O- 1 143.119 -3.38
+  144.0775 C5H10N3O2- 1 144.0779 -2.14
+  146.0608 C9H8NO- 1 146.0611 -2.16
+  149.0718 C8H9N2O- 1 149.072 -1.87
+  151.0871 C8H11N2O- 1 151.0877 -3.72
+  152.0722 C8H10NO2- 1 152.0717 3.04
+  155.0824 C7H11N2O2- 1 155.0826 -1.14
+  155.1184 C8H15N2O- 2 155.119 -4.05
+  160.0761 C10H10NO- 2 160.0768 -4.23
+  164.1083 C10H14NO- 1 164.1081 1.2
+  165.1027 C9H13N2O- 2 165.1033 -3.73
+  167.0822 C8H11N2O2- 1 167.0826 -2.52
+  167.1189 C9H15N2O- 1 167.119 -0.75
+  169.0975 C8H13N2O2- 2 169.0983 -4.29
+  170.0567 C6H8N3O3- 1 170.0571 -2.26
+  181.0614 C8H9N2O3- 2 181.0619 -2.45
+  181.0985 C9H13N2O2- 1 181.0983 1.37
+  182.0931 C8H12N3O2- 1 182.0935 -2.27
+  183.0641 C5H7N6O2- 2 183.0636 2.99
+  193.0975 C8H11N5O- 2 193.0969 3.02
+  194.0816 C10H12NO3- 2 194.0823 -3.47
+  200.1392 C7H16N6O- 1 200.1391 0.59
+  203.0819 C11H11N2O2- 2 203.0826 -3.28
+  212.1397 C8H16N6O- 2 212.1391 3.01
+  233.0921 C10H11N5O2- 2 233.0918 1.02
+  247.1077 C11H13N5O2- 2 247.1075 0.75
+  257.161 C10H25O7- 3 257.1606 1.52
+  321.1827 C18H21N6- 6 321.1833 -1.77
+PK$NUM_PEAK: 44
+PK$PEAK: m/z int. rel.int.
+  119.0502 82645.9 238
+  121.041 32087.7 92
+  122.0246 25345.1 73
+  123.0564 24478.5 70
+  125.0354 73803.3 212
+  126.0192 48633.4 140
+  127.0512 205949.8 594
+  129.1032 185666.6 535
+  130.0872 346298.7 999
+  137.0716 21853.6 63
+  138.0674 17387.9 50
+  139.0874 32347.7 93
+  140.035 43283.4 124
+  141.0666 25050.1 72
+  141.1031 32096.4 92
+  142.0621 15259.1 44
+  143.1185 48541.5 140
+  144.0775 338769 977
+  146.0608 12021.5 34
+  149.0718 100489.8 289
+  151.0871 24513.7 70
+  152.0722 12628.2 36
+  155.0824 37689.7 108
+  155.1184 58421.4 168
+  160.0761 30595.4 88
+  164.1083 15265 44
+  165.1027 24903.7 71
+  167.0822 19968.1 57
+  167.1189 22003.1 63
+  169.0975 157400.3 454
+  170.0567 55892.2 161
+  181.0614 30047.6 86
+  181.0985 27010.5 77
+  182.0931 30933.4 89
+  183.0641 39456.2 113
+  193.0975 93883.9 270
+  194.0816 29574.4 85
+  200.1392 182432.7 526
+  203.0819 16705.5 48
+  212.1397 18878 54
+  233.0921 65247.7 188
+  247.1077 104494.5 301
+  257.161 178390.8 514
+  321.1827 20539.3 59
+//
diff --git a/Eawag/MSBNK-EAWAG-ED042159.txt b/Eawag/MSBNK-EAWAG-ED042159.txt
new file mode 100644
index 0000000000..1670b15ab1
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED042159.txt
@@ -0,0 +1,89 @@
+ACCESSION: MSBNK-EAWAG-ED042159
+RECORD_TITLE: Planktopeptin BL 1125; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.05.01
+AUTHORS: E. Janssen [dtc], X. Wang [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 421
+CH$NAME: Planktopeptin BL 1125
+CH$NAME: (2S)-N-[(5S,8S,11S,12S,15S,18S,21R)-8-[(2S)-butan-2-yl]-21-hydroxy-2-[(1S)-1-hydroxyethyl]-5-[(4-methoxyphenyl)methyl]-4,11-dimethyl-15-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]-2-[[(2R)-2-[[(2S)-2,3-dihydroxypropanoyl]amino]-4-(4-hydroxyphenyl)butanoyl]amino]pentanediamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C54H79N9O17
+CH$EXACT_MASS: 1125.559392
+CH$SMILES: O[C@H]1N(C([C@H](CC1)NC([C@H](CC(C)C)N2)=O)=O)C([C@H](C)O)C(N(C)[C@@H](CC3=CC=C(C=C3)OC)C(N[C@H](C(O[C@H]([C@@H](C2=O)NC([C@H](CCC(N)=O)NC([C@@H](CCC4=CC=C(C=C4)O)NC([C@@H](O)CO)=O)=O)=O)C)=O)[C@@H](C)CC)=O)=O
+CH$IUPAC: InChI=1S/C54H79N9O17/c1-9-28(4)43-54(78)80-30(6)44(61-47(71)36(20-22-41(55)68)56-46(70)35(57-50(74)40(67)26-64)19-14-31-10-15-33(66)16-11-31)51(75)59-38(24-27(2)3)48(72)58-37-21-23-42(69)63(52(37)76)45(29(5)65)53(77)62(7)39(49(73)60-43)25-32-12-17-34(79-8)18-13-32/h10-13,15-18,27-30,35-40,42-45,64-67,69H,9,14,19-26H2,1-8H3,(H2,55,68)(H,56,70)(H,57,74)(H,58,72)(H,59,75)(H,60,73)(H,61,71)/t28-,29-,30-,35+,36-,37-,38-,39-,40-,42+,43-,44-,45?/m0/s1
+CH$LINK: PUBCHEM CID:155802386
+CH$LINK: INCHIKEY WABVJCPIKZSXJF-POZIDFPQSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 116-1168
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.614 min
+MS$FOCUSED_ION: BASE_PEAK 835.4479
+MS$FOCUSED_ION: PRECURSOR_M/Z 1124.5521
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00nf-0900000000-d8e5c6631adca46df16d
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  119.0501 C8H7O- 1 119.0502 -0.96
+  125.0352 C5H5N2O2- 1 125.0357 -3.7
+  126.0197 C5H4NO3- 1 126.0197 0
+  127.0512 C5H7N2O2- 1 127.0513 -0.47
+  128.035 C5H6NO3- 1 128.0353 -2.33
+  129.1033 C6H13N2O- 1 129.1033 -0.52
+  130.0872 C6H12NO2- 1 130.0874 -1.17
+  138.0675 C6H8N3O- 1 138.0673 1.53
+  139.0876 C7H11N2O- 1 139.0877 -0.36
+  140.0353 C6H6NO3- 1 140.0353 0.21
+  141.1033 C7H13N2O- 1 141.1033 -0.41
+  143.1191 C7H15N2O- 1 143.119 0.78
+  144.0775 C5H10N3O2- 1 144.0779 -2.67
+  146.0613 C9H8NO- 1 146.0611 1.29
+  151.0876 C8H11N2O- 1 151.0877 -0.69
+  155.0823 C7H11N2O2- 1 155.0826 -1.63
+  169.0976 C8H13N2O2- 2 169.0983 -3.65
+  170.0571 C6H8N3O3- 1 170.0571 0.07
+  180.077 C8H10N3O2- 2 180.0779 -4.99
+  186.1243 C8H16N3O2- 2 186.1248 -2.85
+  190.0867 C11H12NO2- 2 190.0874 -3.52
+  193.0969 C8H11N5O- 1 193.0969 0.02
+  194.0816 C10H12NO3- 2 194.0823 -3.47
+  200.1395 C7H16N6O- 2 200.1391 2.11
+PK$NUM_PEAK: 24
+PK$PEAK: m/z int. rel.int.
+  119.0501 125044.8 463
+  125.0352 50485 187
+  126.0197 19106 70
+  127.0512 152872.1 566
+  128.035 11222.5 41
+  129.1033 204978.5 759
+  130.0872 210814.4 781
+  138.0675 19215.5 71
+  139.0876 56829.9 210
+  140.0353 11156.9 41
+  141.1033 27391.1 101
+  143.1191 54751.3 202
+  144.0775 269601.3 999
+  146.0613 9513.2 35
+  151.0876 28860.9 106
+  155.0823 21047 77
+  169.0976 116175.9 430
+  170.0571 19468.3 72
+  180.077 38124.8 141
+  186.1243 26502.7 98
+  190.0867 14760.2 54
+  193.0969 61697.2 228
+  194.0816 24593.4 91
+  200.1395 131279.2 486
+//
diff --git a/Eawag/MSBNK-EAWAG-ED046701.txt b/Eawag/MSBNK-EAWAG-ED046701.txt
new file mode 100644
index 0000000000..b763fc7b57
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED046701.txt
@@ -0,0 +1,46 @@
+ACCESSION: MSBNK-EAWAG-ED046701
+RECORD_TITLE: Cyanopeptolin CP1048; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md16070220
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 467
+CH$NAME: Cyanopeptolin CP1048
+CH$NAME: 4-((2-benzyl-15-(3-guanidinopropyl)-21-hydroxy-5-(4-hydroxyphenethyl)-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-octanamido-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H76N10O13
+CH$EXACT_MASS: 1048.559332
+CH$SMILES: O=C(NC(C(NC(C(NC(CCCNC(N)=N)C(NC1C(N(C(C(N(C(C(NC2C(C)C)=O)CCC3=CC=C(O)C=C3)C)=O)CC4=CC=CC=C4)C(O)CC1)=O)=O)=O)C(OC2=O)C)=O)CC(O)=O)CCCCCCC
+CH$IUPAC: InChI=1S/C52H76N10O13/c1-6-7-8-9-13-18-40(64)56-37(29-42(66)67)46(69)60-44-31(4)75-51(74)43(30(2)3)59-47(70)38(25-21-32-19-22-34(63)23-20-32)61(5)50(73)39(28-33-15-11-10-12-16-33)62-41(65)26-24-36(49(62)72)58-45(68)35(57-48(44)71)17-14-27-55-52(53)54/h10-12,15-16,19-20,22-23,30-31,35-39,41,43-44,63,65H,6-9,13-14,17-18,21,24-29H2,1-5H3,(H,56,64)(H,57,71)(H,58,68)(H,59,70)(H,60,69)(H,66,67)(H4,53,54,55)
+CH$LINK: PUBCHEM CID:146684844
+CH$LINK: INCHIKEY VYXPXPDSGOMRCH-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 109-1092
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.860 min
+MS$FOCUSED_ION: BASE_PEAK 1049.5652
+MS$FOCUSED_ION: PRECURSOR_M/Z 1049.5666
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0002-9000000000-e21de2f10635632f4046
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  1031.5542 C52H75N10O12+ 1 1031.556 -1.78
+  1049.565 C52H77N10O13+ 1 1049.5666 -1.57
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  1031.5542 10322778 14
+  1049.565 707055232 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED046702.txt b/Eawag/MSBNK-EAWAG-ED046702.txt
new file mode 100644
index 0000000000..06d9dcef1f
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED046702.txt
@@ -0,0 +1,48 @@
+ACCESSION: MSBNK-EAWAG-ED046702
+RECORD_TITLE: Cyanopeptolin CP1048; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md16070220
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 467
+CH$NAME: Cyanopeptolin CP1048
+CH$NAME: 4-((2-benzyl-15-(3-guanidinopropyl)-21-hydroxy-5-(4-hydroxyphenethyl)-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-octanamido-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H76N10O13
+CH$EXACT_MASS: 1048.559332
+CH$SMILES: O=C(NC(C(NC(C(NC(CCCNC(N)=N)C(NC1C(N(C(C(N(C(C(NC2C(C)C)=O)CCC3=CC=C(O)C=C3)C)=O)CC4=CC=CC=C4)C(O)CC1)=O)=O)=O)C(OC2=O)C)=O)CC(O)=O)CCCCCCC
+CH$IUPAC: InChI=1S/C52H76N10O13/c1-6-7-8-9-13-18-40(64)56-37(29-42(66)67)46(69)60-44-31(4)75-51(74)43(30(2)3)59-47(70)38(25-21-32-19-22-34(63)23-20-32)61(5)50(73)39(28-33-15-11-10-12-16-33)62-41(65)26-24-36(49(62)72)58-45(68)35(57-48(44)71)17-14-27-55-52(53)54/h10-12,15-16,19-20,22-23,30-31,35-39,41,43-44,63,65H,6-9,13-14,17-18,21,24-29H2,1-5H3,(H,56,64)(H,57,71)(H,58,68)(H,59,70)(H,60,69)(H,66,67)(H4,53,54,55)
+CH$LINK: PUBCHEM CID:146684844
+CH$LINK: INCHIKEY VYXPXPDSGOMRCH-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 109-1092
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.860 min
+MS$FOCUSED_ION: BASE_PEAK 1049.5652
+MS$FOCUSED_ION: PRECURSOR_M/Z 1049.5666
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0002-9000000000-a69728645a3685059f60
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  808.4346 C40H58N9O9+ 10 808.4352 -0.78
+  1031.5548 C52H75N10O12+ 1 1031.556 -1.19
+  1049.5645 C52H77N10O13+ 1 1049.5666 -2.04
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  808.4346 40075696 51
+  1031.5548 109379688 141
+  1049.5645 773654848 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED046703.txt b/Eawag/MSBNK-EAWAG-ED046703.txt
new file mode 100644
index 0000000000..a6bb96dfc1
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED046703.txt
@@ -0,0 +1,60 @@
+ACCESSION: MSBNK-EAWAG-ED046703
+RECORD_TITLE: Cyanopeptolin CP1048; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md16070220
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 467
+CH$NAME: Cyanopeptolin CP1048
+CH$NAME: 4-((2-benzyl-15-(3-guanidinopropyl)-21-hydroxy-5-(4-hydroxyphenethyl)-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-octanamido-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H76N10O13
+CH$EXACT_MASS: 1048.559332
+CH$SMILES: O=C(NC(C(NC(C(NC(CCCNC(N)=N)C(NC1C(N(C(C(N(C(C(NC2C(C)C)=O)CCC3=CC=C(O)C=C3)C)=O)CC4=CC=CC=C4)C(O)CC1)=O)=O)=O)C(OC2=O)C)=O)CC(O)=O)CCCCCCC
+CH$IUPAC: InChI=1S/C52H76N10O13/c1-6-7-8-9-13-18-40(64)56-37(29-42(66)67)46(69)60-44-31(4)75-51(74)43(30(2)3)59-47(70)38(25-21-32-19-22-34(63)23-20-32)61(5)50(73)39(28-33-15-11-10-12-16-33)62-41(65)26-24-36(49(62)72)58-45(68)35(57-48(44)71)17-14-27-55-52(53)54/h10-12,15-16,19-20,22-23,30-31,35-39,41,43-44,63,65H,6-9,13-14,17-18,21,24-29H2,1-5H3,(H,56,64)(H,57,71)(H,58,68)(H,59,70)(H,60,69)(H,66,67)(H4,53,54,55)
+CH$LINK: PUBCHEM CID:146684844
+CH$LINK: INCHIKEY VYXPXPDSGOMRCH-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 109-1092
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.860 min
+MS$FOCUSED_ION: BASE_PEAK 1049.5652
+MS$FOCUSED_ION: PRECURSOR_M/Z 1049.5666
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-000t-9000000010-e0484cee674b26d07714
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  164.1066 C10H14NO+ 1 164.107 -2.5
+  434.2073 C25H28N3O4+ 7 434.2074 -0.39
+  772.4149 C42H56N6O8+ 10 772.4154 -0.67
+  790.4241 C40H56N9O8+ 10 790.4246 -0.65
+  808.4346 C40H58N9O9+ 10 808.4352 -0.71
+  1003.564 C51H75N10O11+ 1 1003.5611 2.88
+  1014.5302 C52H72N9O12+ 1 1014.5295 0.7
+  1031.5552 C52H75N10O12+ 1 1031.556 -0.83
+  1049.5652 C52H77N10O13+ 1 1049.5666 -1.34
+PK$NUM_PEAK: 9
+PK$PEAK: m/z int. rel.int.
+  164.1066 5078194 11
+  434.2073 13126948 30
+  772.4149 6228094.5 14
+  790.4241 57516628 135
+  808.4346 75622328 178
+  1003.564 5653028.5 13
+  1014.5302 4532618 10
+  1031.5552 242973248 573
+  1049.5652 423268992 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED046704.txt b/Eawag/MSBNK-EAWAG-ED046704.txt
new file mode 100644
index 0000000000..232bb74389
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED046704.txt
@@ -0,0 +1,76 @@
+ACCESSION: MSBNK-EAWAG-ED046704
+RECORD_TITLE: Cyanopeptolin CP1048; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md16070220
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 467
+CH$NAME: Cyanopeptolin CP1048
+CH$NAME: 4-((2-benzyl-15-(3-guanidinopropyl)-21-hydroxy-5-(4-hydroxyphenethyl)-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-octanamido-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H76N10O13
+CH$EXACT_MASS: 1048.559332
+CH$SMILES: O=C(NC(C(NC(C(NC(CCCNC(N)=N)C(NC1C(N(C(C(N(C(C(NC2C(C)C)=O)CCC3=CC=C(O)C=C3)C)=O)CC4=CC=CC=C4)C(O)CC1)=O)=O)=O)C(OC2=O)C)=O)CC(O)=O)CCCCCCC
+CH$IUPAC: InChI=1S/C52H76N10O13/c1-6-7-8-9-13-18-40(64)56-37(29-42(66)67)46(69)60-44-31(4)75-51(74)43(30(2)3)59-47(70)38(25-21-32-19-22-34(63)23-20-32)61(5)50(73)39(28-33-15-11-10-12-16-33)62-41(65)26-24-36(49(62)72)58-45(68)35(57-48(44)71)17-14-27-55-52(53)54/h10-12,15-16,19-20,22-23,30-31,35-39,41,43-44,63,65H,6-9,13-14,17-18,21,24-29H2,1-5H3,(H,56,64)(H,57,71)(H,58,68)(H,59,70)(H,60,69)(H,66,67)(H4,53,54,55)
+CH$LINK: PUBCHEM CID:146684844
+CH$LINK: INCHIKEY VYXPXPDSGOMRCH-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 109-1092
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.860 min
+MS$FOCUSED_ION: BASE_PEAK 1049.5652
+MS$FOCUSED_ION: PRECURSOR_M/Z 1049.5666
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-001j-9000100300-840de07e19f6ae3d5b0e
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  112.087 C5H10N3+ 1 112.0869 0.4
+  120.0808 C8H10N+ 1 120.0808 -0.19
+  164.1068 C10H14NO+ 1 164.107 -0.92
+  215.1177 C13H15N2O+ 2 215.1179 -0.79
+  223.1189 C10H15N4O2+ 1 223.119 -0.33
+  240.1454 C10H18N5O2+ 1 240.1455 -0.42
+  243.1127 C14H15N2O2+ 3 243.1128 -0.36
+  309.1804 H25N10O9+ 4 309.18 1.24
+  322.1443 C6H22N6O9+ 6 322.1443 0.05
+  434.2072 C25H28N3O4+ 7 434.2074 -0.53
+  481.2761 C36H35N+ 8 481.2764 -0.62
+  755.3852 C42H53N5O8+ 12 755.3889 -4.89
+  772.4161 C42H56N6O8+ 10 772.4154 0.84
+  790.4244 C40H56N9O8+ 10 790.4246 -0.26
+  1003.5611 C51H75N10O11+ 1 1003.5611 -0.04
+  1031.5554 C52H75N10O12+ 1 1031.556 -0.6
+  1049.5658 C52H77N10O13+ 1 1049.5666 -0.76
+PK$NUM_PEAK: 17
+PK$PEAK: m/z int. rel.int.
+  112.087 2679171 13
+  120.0808 2070869.5 10
+  164.1068 32504938 167
+  215.1177 6590179 33
+  223.1189 6060015.5 31
+  240.1454 3325410.8 17
+  243.1127 13114276 67
+  309.1804 3503856.8 18
+  322.1443 2464505.5 12
+  434.2072 34359048 176
+  481.2761 8306462.5 42
+  755.3852 4325881 22
+  772.4161 20219846 104
+  790.4244 109196096 562
+  1003.5611 14308928 73
+  1031.5554 194006896 999
+  1049.5658 173144816 891
+//
diff --git a/Eawag/MSBNK-EAWAG-ED046705.txt b/Eawag/MSBNK-EAWAG-ED046705.txt
new file mode 100644
index 0000000000..63ad3b898b
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED046705.txt
@@ -0,0 +1,136 @@
+ACCESSION: MSBNK-EAWAG-ED046705
+RECORD_TITLE: Cyanopeptolin CP1048; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md16070220
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 467
+CH$NAME: Cyanopeptolin CP1048
+CH$NAME: 4-((2-benzyl-15-(3-guanidinopropyl)-21-hydroxy-5-(4-hydroxyphenethyl)-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-octanamido-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H76N10O13
+CH$EXACT_MASS: 1048.559332
+CH$SMILES: O=C(NC(C(NC(C(NC(CCCNC(N)=N)C(NC1C(N(C(C(N(C(C(NC2C(C)C)=O)CCC3=CC=C(O)C=C3)C)=O)CC4=CC=CC=C4)C(O)CC1)=O)=O)=O)C(OC2=O)C)=O)CC(O)=O)CCCCCCC
+CH$IUPAC: InChI=1S/C52H76N10O13/c1-6-7-8-9-13-18-40(64)56-37(29-42(66)67)46(69)60-44-31(4)75-51(74)43(30(2)3)59-47(70)38(25-21-32-19-22-34(63)23-20-32)61(5)50(73)39(28-33-15-11-10-12-16-33)62-41(65)26-24-36(49(62)72)58-45(68)35(57-48(44)71)17-14-27-55-52(53)54/h10-12,15-16,19-20,22-23,30-31,35-39,41,43-44,63,65H,6-9,13-14,17-18,21,24-29H2,1-5H3,(H,56,64)(H,57,71)(H,58,68)(H,59,70)(H,60,69)(H,66,67)(H4,53,54,55)
+CH$LINK: PUBCHEM CID:146684844
+CH$LINK: INCHIKEY VYXPXPDSGOMRCH-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 109-1092
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.860 min
+MS$FOCUSED_ION: BASE_PEAK 1049.5652
+MS$FOCUSED_ION: PRECURSOR_M/Z 1049.5666
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-03di-0931100000-2bdc731bce906ad95d19
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  112.0868 C5H10N3+ 1 112.0869 -1.03
+  113.0708 C5H9N2O+ 1 113.0709 -0.82
+  114.0549 C5H8NO2+ 1 114.055 -0.69
+  114.1026 C5H12N3+ 1 114.1026 0.41
+  115.0866 C5H11N2O+ 1 115.0866 0.47
+  120.0807 C8H10N+ 1 120.0808 -0.57
+  121.0648 C8H9O+ 1 121.0648 0.07
+  135.0804 C9H11O+ 1 135.0804 -0.3
+  138.0659 C6H8N3O+ 1 138.0662 -1.97
+  140.0816 C6H10N3O+ 1 140.0818 -1.67
+  146.0962 C10H12N+ 1 146.0964 -1.51
+  149.0837 C9H11NO+ 1 149.0835 1.17
+  153.066 C7H9N2O2+ 1 153.0659 0.7
+  156.0765 C6H10N3O2+ 1 156.0768 -1.59
+  157.1084 C6H13N4O+ 1 157.1084 0.37
+  158.096 C11H12N+ 1 158.0964 -2.6
+  162.1023 C9H12N3+ 1 162.1026 -1.59
+  164.1068 C10H14NO+ 1 164.107 -1.2
+  170.0962 C12H12N+ 1 170.0964 -1.52
+  178.0972 C9H12N3O+ 1 178.0975 -1.87
+  179.1289 C9H15N4+ 1 179.1291 -1.18
+  187.1229 C12H15N2+ 1 187.123 -0.39
+  192.1011 C9H12N4O+ 2 192.1006 2.69
+  195.1245 C9H15N4O+ 2 195.124 2.34
+  197.1034 C8H13N4O2+ 1 197.1033 0.32
+  199.0715 C8H11N2O4+ 1 199.0713 0.73
+  206.0922 C10H12N3O2+ 1 206.0924 -0.88
+  208.108 C10H14N3O2+ 1 208.1081 -0.08
+  215.1178 C13H15N2O+ 2 215.1179 -0.29
+  223.1189 C10H15N4O2+ 1 223.119 -0.2
+  239.1177 C15H15N2O+ 5 239.1179 -0.9
+  240.1458 C10H18N5O2+ 2 240.1455 1.1
+  241.1292 C10H17N4O3+ 3 241.1295 -1.46
+  243.1127 C14H15N2O2+ 3 243.1128 -0.23
+  251.1148 C11H15N4O3+ 2 251.1139 3.76
+  266.1539 C18H20NO+ 5 266.1539 -0.28
+  292.1403 C13H18N5O3+ 3 292.1404 -0.5
+  309.1804 H25N10O9+ 4 309.18 1.05
+  313.1508 C13H21N4O5+ 5 313.1506 0.58
+  322.1442 C6H22N6O9+ 6 322.1443 -0.33
+  338.146 C14H20N5O5+ 6 338.1459 0.23
+  354.1915 C4H30N6O12+ 8 354.1916 -0.25
+  434.2071 C25H28N3O4+ 6 434.2074 -0.74
+  464.2497 C36H32+ 8 464.2499 -0.31
+  481.276 C36H35N+ 8 481.2764 -0.81
+  498.3028 C10H44N9O13+ 8 498.3053 -4.96
+  790.4246 C40H56N9O8+ 10 790.4246 -0.11
+PK$NUM_PEAK: 47
+PK$PEAK: m/z int. rel.int.
+  112.0868 15527519 164
+  113.0708 9407106 99
+  114.0549 1255378.8 13
+  114.1026 979109.6 10
+  115.0866 4818765.5 50
+  120.0807 22185944 234
+  121.0648 4024230.8 42
+  135.0804 1687314 17
+  138.0659 7381264.5 78
+  140.0816 1358227.8 14
+  146.0962 2416818.8 25
+  149.0837 1024811.2 10
+  153.066 1721591.9 18
+  156.0765 1086465.1 11
+  157.1084 3155384.5 33
+  158.096 3615952 38
+  162.1023 1509799.2 15
+  164.1068 94466984 999
+  170.0962 3814879 40
+  178.0972 1260990.1 13
+  179.1289 2498038 26
+  187.1229 8174874.5 86
+  192.1011 6933197.5 73
+  195.1245 2225494.8 23
+  197.1034 6529433 69
+  199.0715 4325825.5 45
+  206.0922 1143465.1 12
+  208.108 1789624.2 18
+  215.1178 27462404 290
+  223.1189 19238298 203
+  239.1177 1743313.2 18
+  240.1458 7338521.5 77
+  241.1292 8942750 94
+  243.1127 19920738 210
+  251.1148 2077075.5 21
+  266.1539 1324000.5 14
+  292.1403 2045571 21
+  309.1804 8210904.5 86
+  313.1508 1755674.9 18
+  322.1442 11975682 126
+  338.146 8472026 89
+  354.1915 4483125 47
+  434.2071 9445453 99
+  464.2497 11624247 122
+  481.276 6778393.5 71
+  498.3028 3171023 33
+  790.4246 13438770 142
+//
diff --git a/Eawag/MSBNK-EAWAG-ED046706.txt b/Eawag/MSBNK-EAWAG-ED046706.txt
new file mode 100644
index 0000000000..f16505e9e3
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED046706.txt
@@ -0,0 +1,146 @@
+ACCESSION: MSBNK-EAWAG-ED046706
+RECORD_TITLE: Cyanopeptolin CP1048; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md16070220
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 467
+CH$NAME: Cyanopeptolin CP1048
+CH$NAME: 4-((2-benzyl-15-(3-guanidinopropyl)-21-hydroxy-5-(4-hydroxyphenethyl)-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-octanamido-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H76N10O13
+CH$EXACT_MASS: 1048.559332
+CH$SMILES: O=C(NC(C(NC(C(NC(CCCNC(N)=N)C(NC1C(N(C(C(N(C(C(NC2C(C)C)=O)CCC3=CC=C(O)C=C3)C)=O)CC4=CC=CC=C4)C(O)CC1)=O)=O)=O)C(OC2=O)C)=O)CC(O)=O)CCCCCCC
+CH$IUPAC: InChI=1S/C52H76N10O13/c1-6-7-8-9-13-18-40(64)56-37(29-42(66)67)46(69)60-44-31(4)75-51(74)43(30(2)3)59-47(70)38(25-21-32-19-22-34(63)23-20-32)61(5)50(73)39(28-33-15-11-10-12-16-33)62-41(65)26-24-36(49(62)72)58-45(68)35(57-48(44)71)17-14-27-55-52(53)54/h10-12,15-16,19-20,22-23,30-31,35-39,41,43-44,63,65H,6-9,13-14,17-18,21,24-29H2,1-5H3,(H,56,64)(H,57,71)(H,58,68)(H,59,70)(H,60,69)(H,66,67)(H4,53,54,55)
+CH$LINK: PUBCHEM CID:146684844
+CH$LINK: INCHIKEY VYXPXPDSGOMRCH-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 109-1092
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.860 min
+MS$FOCUSED_ION: BASE_PEAK 1049.5652
+MS$FOCUSED_ION: PRECURSOR_M/Z 1049.5666
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-03k9-0910000000-658529d50e0da9f10dd1
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  111.0552 C5H7N2O+ 1 111.0553 -1
+  112.0868 C5H10N3+ 1 112.0869 -1.1
+  113.0708 C5H9N2O+ 1 113.0709 -0.95
+  114.0553 C5H8NO2+ 1 114.055 3.05
+  114.1024 C5H12N3+ 1 114.1026 -1.93
+  115.0865 C5H11N2O+ 1 115.0866 -0.65
+  120.0807 C8H10N+ 1 120.0808 -0.63
+  121.0648 C8H9O+ 1 121.0648 0
+  125.071 C6H9N2O+ 1 125.0709 0.18
+  132.0805 C9H10N+ 1 132.0808 -1.95
+  135.0802 C9H11O+ 1 135.0804 -1.88
+  136.0391 C7H6NO2+ 1 136.0393 -1.69
+  137.1073 C8H13N2+ 1 137.1073 -0.04
+  138.0661 C6H8N3O+ 1 138.0662 -0.97
+  138.0907 C8H12NO+ 1 138.0913 -4.44
+  141.0662 C6H9N2O2+ 1 141.0659 2.25
+  141.1021 C7H13N2O+ 1 141.1022 -0.95
+  146.0964 C10H12N+ 1 146.0964 -0.16
+  149.0704 C8H9N2O+ 1 149.0709 -3.93
+  149.0835 C9H11NO+ 1 149.0835 -0.36
+  153.0658 C7H9N2O2+ 1 153.0659 -0.5
+  153.1015 C8H13N2O+ 2 153.1022 -4.94
+  157.1082 C6H13N4O+ 1 157.1084 -0.89
+  158.0962 C11H12N+ 1 158.0964 -1.73
+  162.1039 C11H14O+ 1 162.1039 -0.18
+  164.1068 C10H14NO+ 1 164.107 -1.39
+  166.0979 C8H12N3O+ 1 166.0975 2.67
+  170.0962 C12H12N+ 1 170.0964 -1.25
+  171.0758 C7H11N2O3+ 2 171.0764 -3.53
+  178.0973 C9H12N3O+ 1 178.0975 -0.93
+  179.1291 C9H15N4+ 1 179.1291 -0.25
+  180.0771 C8H10N3O2+ 1 180.0768 1.81
+  180.1127 C9H14N3O+ 1 180.1131 -2.39
+  181.0949 C7H11N5O+ 3 181.0958 -4.85
+  182.0924 C8H12N3O2+ 1 182.0924 0.08
+  187.1227 C12H15N2+ 1 187.123 -1.53
+  192.1005 C9H12N4O+ 1 192.1006 -0.25
+  195.1239 C9H15N4O+ 1 195.124 -0.79
+  197.1037 C8H13N4O2+ 2 197.1033 2.25
+  199.0712 C8H11N2O4+ 1 199.0713 -0.65
+  206.0927 C10H12N3O2+ 2 206.0924 1.64
+  208.1074 C10H14N3O2+ 2 208.1081 -3.31
+  215.1178 C13H15N2O+ 2 215.1179 -0.58
+  216.0988 C8H14N3O4+ 3 216.0979 4.05
+  223.119 C10H15N4O2+ 1 223.119 0.01
+  225.1344 C10H17N4O2+ 3 225.1346 -1.02
+  240.1465 C10H18N5O2+ 2 240.1455 4.03
+  241.1291 C10H17N4O3+ 3 241.1295 -1.65
+  251.1137 C11H15N4O3+ 3 251.1139 -0.79
+  322.1441 C6H22N6O9+ 6 322.1443 -0.71
+  338.1461 C14H20N5O5+ 7 338.1459 0.5
+  354.1918 C4H30N6O12+ 7 354.1916 0.61
+PK$NUM_PEAK: 52
+PK$PEAK: m/z int. rel.int.
+  111.0552 1493035 15
+  112.0868 17466520 177
+  113.0708 12938413 131
+  114.0553 2059814.4 20
+  114.1024 1121189.1 11
+  115.0865 7618766 77
+  120.0807 38207572 387
+  121.0648 13082393 132
+  125.071 2170928.8 22
+  132.0805 1996253 20
+  135.0802 4585921 46
+  136.0391 1208428.8 12
+  137.1073 1185630 12
+  138.0661 8305373.5 84
+  138.0907 1480105.1 15
+  141.0662 1830934.5 18
+  141.1021 2331710.5 23
+  146.0964 6331534 64
+  149.0704 2603084 26
+  149.0835 2865350.2 29
+  153.0658 6161822.5 62
+  153.1015 2270731 23
+  157.1082 3748175.2 38
+  158.0962 8239639 83
+  162.1039 2082110.4 21
+  164.1068 98444400 999
+  166.0979 1638801.8 16
+  170.0962 12547877 127
+  171.0758 1457634.1 14
+  178.0973 2520239.2 25
+  179.1291 2579509.5 26
+  180.0771 1200597.2 12
+  180.1127 2434616 24
+  181.0949 3846677.2 39
+  182.0924 1746994.8 17
+  187.1227 7751411 78
+  192.1005 5244598.5 53
+  195.1239 2895522.5 29
+  197.1037 6076570.5 61
+  199.0712 8475755 86
+  206.0927 1540884.5 15
+  208.1074 2118808 21
+  215.1178 18942634 192
+  216.0988 3376285 34
+  223.119 12448006 126
+  225.1344 1716183 17
+  240.1465 3505910.5 35
+  241.1291 5179631.5 52
+  251.1137 4479935.5 45
+  322.1441 9602828 97
+  338.1461 5524511 56
+  354.1918 2638004 26
+//
diff --git a/Eawag/MSBNK-EAWAG-ED046707.txt b/Eawag/MSBNK-EAWAG-ED046707.txt
new file mode 100644
index 0000000000..26e30ff15c
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED046707.txt
@@ -0,0 +1,156 @@
+ACCESSION: MSBNK-EAWAG-ED046707
+RECORD_TITLE: Cyanopeptolin CP1048; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md16070220
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 467
+CH$NAME: Cyanopeptolin CP1048
+CH$NAME: 4-((2-benzyl-15-(3-guanidinopropyl)-21-hydroxy-5-(4-hydroxyphenethyl)-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-octanamido-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H76N10O13
+CH$EXACT_MASS: 1048.559332
+CH$SMILES: O=C(NC(C(NC(C(NC(CCCNC(N)=N)C(NC1C(N(C(C(N(C(C(NC2C(C)C)=O)CCC3=CC=C(O)C=C3)C)=O)CC4=CC=CC=C4)C(O)CC1)=O)=O)=O)C(OC2=O)C)=O)CC(O)=O)CCCCCCC
+CH$IUPAC: InChI=1S/C52H76N10O13/c1-6-7-8-9-13-18-40(64)56-37(29-42(66)67)46(69)60-44-31(4)75-51(74)43(30(2)3)59-47(70)38(25-21-32-19-22-34(63)23-20-32)61(5)50(73)39(28-33-15-11-10-12-16-33)62-41(65)26-24-36(49(62)72)58-45(68)35(57-48(44)71)17-14-27-55-52(53)54/h10-12,15-16,19-20,22-23,30-31,35-39,41,43-44,63,65H,6-9,13-14,17-18,21,24-29H2,1-5H3,(H,56,64)(H,57,71)(H,58,68)(H,59,70)(H,60,69)(H,66,67)(H4,53,54,55)
+CH$LINK: PUBCHEM CID:146684844
+CH$LINK: INCHIKEY VYXPXPDSGOMRCH-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 109-1092
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.860 min
+MS$FOCUSED_ION: BASE_PEAK 1049.5652
+MS$FOCUSED_ION: PRECURSOR_M/Z 1049.5666
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-03k9-0900000000-f1bd44cb1470a913ba5c
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  111.0553 C5H7N2O+ 1 111.0553 0.16
+  112.0393 C5H6NO2+ 1 112.0393 0.23
+  112.0868 C5H10N3+ 1 112.0869 -0.69
+  113.0708 C5H9N2O+ 1 113.0709 -0.89
+  114.0552 C5H8NO2+ 1 114.055 2.25
+  114.1024 C5H12N3+ 1 114.1026 -1.93
+  115.0865 C5H11N2O+ 1 115.0866 -0.72
+  117.0574 C8H7N+ 1 117.0573 0.81
+  118.0651 C8H8N+ 1 118.0651 -0.53
+  120.0807 C8H10N+ 1 120.0808 -0.51
+  121.0648 C8H9O+ 1 121.0648 0
+  125.0708 C6H9N2O+ 1 125.0709 -0.79
+  129.0663 C5H9N2O2+ 1 129.0659 3.2
+  132.0806 C9H10N+ 1 132.0808 -1.6
+  133.0884 C9H11N+ 1 133.0886 -1.76
+  134.0595 C8H8NO+ 1 134.06 -3.99
+  135.0442 C8H7O2+ 1 135.0441 1.12
+  135.0803 C9H11O+ 1 135.0804 -0.75
+  136.039 C7H6NO2+ 1 136.0393 -2.59
+  137.071 C7H9N2O+ 1 137.0709 0.14
+  138.0545 C7H8NO2+ 1 138.055 -2.94
+  138.0661 C6H8N3O+ 1 138.0662 -0.31
+  139.0862 C7H11N2O+ 1 139.0866 -2.77
+  140.0815 C6H10N3O+ 1 140.0818 -2.65
+  141.1019 C7H13N2O+ 1 141.1022 -2.57
+  146.0963 C10H12N+ 1 146.0964 -1.2
+  149.0705 C8H9N2O+ 1 149.0709 -3.11
+  149.0835 C9H11NO+ 1 149.0835 0.05
+  150.1028 C8H12N3+ 1 150.1026 1.78
+  152.0817 C7H10N3O+ 1 152.0818 -1.09
+  153.0659 C7H9N2O2+ 1 153.0659 0.3
+  153.1015 C8H13N2O+ 2 153.1022 -4.84
+  156.0773 C6H10N3O2+ 2 156.0768 3.78
+  157.1082 C6H13N4O+ 1 157.1084 -1.18
+  158.0962 C11H12N+ 1 158.0964 -1.15
+  163.0857 C7H9N5+ 1 163.0852 2.79
+  164.1068 C10H14NO+ 1 164.107 -1.02
+  170.0962 C12H12N+ 1 170.0964 -1.61
+  178.0974 C9H12N3O+ 1 178.0975 -0.24
+  179.1288 C9H15N4+ 1 179.1291 -1.95
+  180.0767 C8H10N3O2+ 1 180.0768 -0.05
+  180.1129 C9H14N3O+ 1 180.1131 -1.54
+  181.0955 C7H11N5O+ 1 181.0958 -1.9
+  187.1229 C12H15N2+ 1 187.123 -0.55
+  195.1237 C9H15N4O+ 3 195.124 -1.97
+  197.1037 C8H13N4O2+ 2 197.1033 1.87
+  198.091 C13H12NO+ 1 198.0913 -1.76
+  199.0714 C8H11N2O4+ 1 199.0713 0.5
+  206.0926 C10H12N3O2+ 1 206.0924 1.05
+  208.1082 C10H14N3O2+ 1 208.1081 0.8
+  215.118 C13H15N2O+ 2 215.1179 0.49
+  216.0979 C8H14N3O4+ 1 216.0979 0.09
+  223.119 C10H15N4O2+ 1 223.119 0.21
+  225.1346 C10H17N4O2+ 1 225.1346 -0.01
+  226.0864 C14H12NO2+ 2 226.0863 0.71
+  241.1299 C10H17N4O3+ 2 241.1295 1.52
+  251.1134 C11H15N4O3+ 3 251.1139 -1.7
+PK$NUM_PEAK: 57
+PK$PEAK: m/z int. rel.int.
+  111.0553 3580303.5 53
+  112.0393 909744.1 13
+  112.0868 12216047 181
+  113.0708 7862980 116
+  114.0552 1771562 26
+  114.1024 1183279.1 17
+  115.0865 6457083 96
+  117.0574 1792448.8 26
+  118.0651 1102999.1 16
+  120.0807 31057182 462
+  121.0648 13179006 196
+  125.0708 3435217.5 51
+  129.0663 1943199.4 28
+  132.0806 3071065 45
+  133.0884 1555759.2 23
+  134.0595 1299998.5 19
+  135.0442 1372273.4 20
+  135.0803 5733487 85
+  136.039 1772069.8 26
+  137.071 1039078.2 15
+  138.0545 781824.7 11
+  138.0661 5943366.5 88
+  139.0862 876056.4 13
+  140.0815 2190495.2 32
+  141.1019 1764838.9 26
+  146.0963 4129062 61
+  149.0705 3088644.2 45
+  149.0835 4972478.5 73
+  150.1028 2214905 32
+  152.0817 1038663 15
+  153.0659 4820069 71
+  153.1015 2485989.5 36
+  156.0773 686931 10
+  157.1082 1913513.5 28
+  158.0962 6479493 96
+  163.0857 755392.2 11
+  164.1068 67152864 999
+  170.0962 12531996 186
+  178.0974 2003441.9 29
+  179.1288 1210564.8 18
+  180.0767 1026164.1 15
+  180.1129 1905768.4 28
+  181.0955 2263667.8 33
+  187.1229 2763104.5 41
+  195.1237 1724050.5 25
+  197.1037 3170862.5 47
+  198.091 3804841 56
+  199.0714 3116808.5 46
+  206.0926 678199.1 10
+  208.1082 988764.1 14
+  215.118 4288055.5 63
+  216.0979 1750537.2 26
+  223.119 3526106.8 52
+  225.1346 1351611.8 20
+  226.0864 752235.5 11
+  241.1299 958026.1 14
+  251.1134 1421765.5 21
+//
diff --git a/Eawag/MSBNK-EAWAG-ED046708.txt b/Eawag/MSBNK-EAWAG-ED046708.txt
new file mode 100644
index 0000000000..c9e11b8781
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED046708.txt
@@ -0,0 +1,168 @@
+ACCESSION: MSBNK-EAWAG-ED046708
+RECORD_TITLE: Cyanopeptolin CP1048; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md16070220
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 467
+CH$NAME: Cyanopeptolin CP1048
+CH$NAME: 4-((2-benzyl-15-(3-guanidinopropyl)-21-hydroxy-5-(4-hydroxyphenethyl)-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-octanamido-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H76N10O13
+CH$EXACT_MASS: 1048.559332
+CH$SMILES: O=C(NC(C(NC(C(NC(CCCNC(N)=N)C(NC1C(N(C(C(N(C(C(NC2C(C)C)=O)CCC3=CC=C(O)C=C3)C)=O)CC4=CC=CC=C4)C(O)CC1)=O)=O)=O)C(OC2=O)C)=O)CC(O)=O)CCCCCCC
+CH$IUPAC: InChI=1S/C52H76N10O13/c1-6-7-8-9-13-18-40(64)56-37(29-42(66)67)46(69)60-44-31(4)75-51(74)43(30(2)3)59-47(70)38(25-21-32-19-22-34(63)23-20-32)61(5)50(73)39(28-33-15-11-10-12-16-33)62-41(65)26-24-36(49(62)72)58-45(68)35(57-48(44)71)17-14-27-55-52(53)54/h10-12,15-16,19-20,22-23,30-31,35-39,41,43-44,63,65H,6-9,13-14,17-18,21,24-29H2,1-5H3,(H,56,64)(H,57,71)(H,58,68)(H,59,70)(H,60,69)(H,66,67)(H4,53,54,55)
+CH$LINK: PUBCHEM CID:146684844
+CH$LINK: INCHIKEY VYXPXPDSGOMRCH-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 109-1092
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.860 min
+MS$FOCUSED_ION: BASE_PEAK 1049.5652
+MS$FOCUSED_ION: PRECURSOR_M/Z 1049.5666
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-03k9-0900000000-219338efb99baf665275
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  110.0599 C6H8NO+ 1 110.06 -0.84
+  110.0711 C5H8N3+ 1 110.0713 -1.56
+  111.0552 C5H7N2O+ 1 111.0553 -0.8
+  112.0392 C5H6NO2+ 1 112.0393 -0.66
+  112.0868 C5H10N3+ 1 112.0869 -1.24
+  113.0708 C5H9N2O+ 1 113.0709 -1.56
+  114.0548 C5H8NO2+ 1 114.055 -1.36
+  114.1025 C5H12N3+ 1 114.1026 -0.59
+  115.0542 C9H7+ 1 115.0542 -0.6
+  115.0865 C5H11N2O+ 1 115.0866 -0.65
+  117.0573 C8H7N+ 1 117.0573 0.16
+  118.0651 C8H8N+ 1 118.0651 -0.46
+  120.0807 C8H10N+ 1 120.0808 -0.76
+  121.0647 C8H9O+ 1 121.0648 -0.69
+  123.0802 C8H11O+ 1 123.0804 -1.73
+  124.0867 C6H10N3+ 1 124.0869 -1.92
+  125.0709 C6H9N2O+ 1 125.0709 0
+  126.0548 C6H8NO2+ 1 126.055 -1.5
+  127.0979 C5H11N4+ 1 127.0978 0.55
+  128.0619 C10H8+ 1 128.0621 -1.45
+  129.0658 C5H9N2O2+ 1 129.0659 -0.11
+  130.0653 C9H8N+ 1 130.0651 1.42
+  132.0807 C9H10N+ 1 132.0808 -0.91
+  133.0645 C9H9O+ 1 133.0648 -2.29
+  133.0884 C9H11N+ 1 133.0886 -1.87
+  134.0598 C8H8NO+ 1 134.06 -1.72
+  135.0802 C9H11O+ 1 135.0804 -1.77
+  135.0915 C8H11N2+ 1 135.0917 -1
+  136.039 C7H6NO2+ 1 136.0393 -2.03
+  137.0709 C7H9N2O+ 1 137.0709 -0.31
+  137.1075 C8H13N2+ 1 137.1073 1.18
+  138.0543 C7H8NO2+ 2 138.055 -4.93
+  138.066 C6H8N3O+ 1 138.0662 -1.64
+  138.0909 C8H12NO+ 1 138.0913 -2.89
+  140.082 C6H10N3O+ 1 140.0818 0.95
+  141.066 C6H9N2O2+ 1 141.0659 1.17
+  141.1021 C7H13N2O+ 1 141.1022 -0.95
+  144.0804 C10H10N+ 1 144.0808 -2.4
+  146.0963 C10H12N+ 1 146.0964 -0.89
+  148.0627 C8H8N2O+ 1 148.0631 -2.53
+  148.0758 C9H10NO+ 1 148.0757 0.44
+  149.0704 C8H9N2O+ 1 149.0709 -3.93
+  149.0834 C9H11NO+ 1 149.0835 -0.87
+  150.1021 C8H12N3+ 1 150.1026 -3
+  152.0814 C7H10N3O+ 1 152.0818 -3
+  153.0664 C7H9N2O2+ 1 153.0659 3.49
+  153.1017 C8H13N2O+ 1 153.1022 -3.24
+  157.1081 C6H13N4O+ 1 157.1084 -1.76
+  158.0962 C11H12N+ 1 158.0964 -1.15
+  164.1068 C10H14NO+ 1 164.107 -1.39
+  168.0805 C12H10N+ 1 168.0808 -1.49
+  170.0961 C12H12N+ 1 170.0964 -1.88
+  171.0766 C7H11N2O3+ 1 171.0764 0.93
+  180.1135 C9H14N3O+ 1 180.1131 2.27
+  181.0957 C7H11N5O+ 1 181.0958 -0.89
+  182.0931 C8H12N3O2+ 2 182.0924 3.94
+  187.1235 C12H15N2+ 1 187.123 2.79
+  195.1241 C9H15N4O+ 1 195.124 0.54
+  198.091 C13H12NO+ 1 198.0913 -1.68
+  199.0711 C8H11N2O4+ 1 199.0713 -1.18
+  208.1083 C10H14N3O2+ 1 208.1081 0.95
+  223.1192 C10H15N4O2+ 2 223.119 1.24
+  239.1189 C2H23O12+ 4 239.1184 2.25
+PK$NUM_PEAK: 63
+PK$PEAK: m/z int. rel.int.
+  110.0599 1673704.1 34
+  110.0711 1053700.1 21
+  111.0552 3755262.5 78
+  112.0392 985674.3 20
+  112.0868 10079486 209
+  113.0708 4851871.5 100
+  114.0548 1737814.5 36
+  114.1025 986940.1 20
+  115.0542 1147964.2 23
+  115.0865 5783606.5 120
+  117.0573 3349575.2 69
+  118.0651 1618647.6 33
+  120.0807 27740988 576
+  121.0647 15892849 330
+  123.0802 2215398.2 46
+  124.0867 661009.9 13
+  125.0709 4233213 87
+  126.0548 644191.5 13
+  127.0979 735151.2 15
+  128.0619 1237301.1 25
+  129.0658 2601457.2 54
+  130.0653 873828.3 18
+  132.0807 5333762 110
+  133.0645 950005 19
+  133.0884 2758302.8 57
+  134.0598 2867669 59
+  135.0802 7274144.5 151
+  135.0915 607030.4 12
+  136.039 1764192.6 36
+  137.0709 1030803.9 21
+  137.1075 683725.5 14
+  138.0543 1182083.9 24
+  138.066 3398692 70
+  138.0909 1870456 38
+  140.082 1572603.9 32
+  141.066 1947480.4 40
+  141.1021 1279466.8 26
+  144.0804 977944.3 20
+  146.0963 3192061.8 66
+  148.0627 622624.5 12
+  148.0758 860193.6 17
+  149.0704 3280866.2 68
+  149.0834 9265497 192
+  150.1021 2580591.8 53
+  152.0814 725523.2 15
+  153.0664 3361184 69
+  153.1017 1757633.5 36
+  157.1081 1107260.8 23
+  158.0962 4802085 99
+  164.1068 48056804 999
+  168.0805 2576933.2 53
+  170.0961 11316924 235
+  171.0766 749356.2 15
+  180.1135 894672.4 18
+  181.0957 1769789 36
+  182.0931 679904.3 14
+  187.1235 814822.9 16
+  195.1241 645479.6 13
+  198.091 2019258.4 41
+  199.0711 965669.9 20
+  208.1083 645064.8 13
+  223.1192 1083724.9 22
+  239.1189 710674.4 14
+//
diff --git a/Eawag/MSBNK-EAWAG-ED046709.txt b/Eawag/MSBNK-EAWAG-ED046709.txt
new file mode 100644
index 0000000000..13045989b2
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED046709.txt
@@ -0,0 +1,126 @@
+ACCESSION: MSBNK-EAWAG-ED046709
+RECORD_TITLE: Cyanopeptolin CP1048; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md16070220
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 467
+CH$NAME: Cyanopeptolin CP1048
+CH$NAME: 4-((2-benzyl-15-(3-guanidinopropyl)-21-hydroxy-5-(4-hydroxyphenethyl)-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-octanamido-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H76N10O13
+CH$EXACT_MASS: 1048.559332
+CH$SMILES: O=C(NC(C(NC(C(NC(CCCNC(N)=N)C(NC1C(N(C(C(N(C(C(NC2C(C)C)=O)CCC3=CC=C(O)C=C3)C)=O)CC4=CC=CC=C4)C(O)CC1)=O)=O)=O)C(OC2=O)C)=O)CC(O)=O)CCCCCCC
+CH$IUPAC: InChI=1S/C52H76N10O13/c1-6-7-8-9-13-18-40(64)56-37(29-42(66)67)46(69)60-44-31(4)75-51(74)43(30(2)3)59-47(70)38(25-21-32-19-22-34(63)23-20-32)61(5)50(73)39(28-33-15-11-10-12-16-33)62-41(65)26-24-36(49(62)72)58-45(68)35(57-48(44)71)17-14-27-55-52(53)54/h10-12,15-16,19-20,22-23,30-31,35-39,41,43-44,63,65H,6-9,13-14,17-18,21,24-29H2,1-5H3,(H,56,64)(H,57,71)(H,58,68)(H,59,70)(H,60,69)(H,66,67)(H4,53,54,55)
+CH$LINK: PUBCHEM CID:146684844
+CH$LINK: INCHIKEY VYXPXPDSGOMRCH-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 109-1092
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.860 min
+MS$FOCUSED_ION: BASE_PEAK 1049.5652
+MS$FOCUSED_ION: PRECURSOR_M/Z 1049.5666
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0229-0900000000-59b10d0ad8a6e51a29a5
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  110.0602 C6H8NO+ 1 110.06 1.38
+  111.0553 C5H7N2O+ 1 111.0553 0.37
+  112.0395 C5H6NO2+ 1 112.0393 1.86
+  112.0868 C5H10N3+ 1 112.0869 -1.24
+  113.071 C5H9N2O+ 1 113.0709 0.19
+  114.0549 C5H8NO2+ 1 114.055 -0.22
+  115.0544 C9H7+ 1 115.0542 1.33
+  115.0864 C5H11N2O+ 1 115.0866 -1.38
+  117.0574 C8H7N+ 1 117.0573 0.87
+  118.0648 C8H8N+ 1 118.0651 -2.34
+  120.0807 C8H10N+ 1 120.0808 -0.82
+  121.0648 C8H9O+ 1 121.0648 -0.12
+  123.0806 C8H11O+ 1 123.0804 1.19
+  125.0708 C6H9N2O+ 1 125.0709 -0.79
+  128.0619 C10H8+ 1 128.0621 -1.57
+  130.0651 C9H8N+ 1 130.0651 0.13
+  131.0492 C9H7O+ 1 131.0491 0.47
+  132.0806 C9H10N+ 1 132.0808 -1.37
+  133.0883 C9H11N+ 1 133.0886 -2.22
+  134.06 C8H8NO+ 1 134.06 -0.13
+  135.0438 C8H7O2+ 1 135.0441 -1.59
+  135.0802 C9H11O+ 1 135.0804 -1.65
+  135.0918 C8H11N2+ 1 135.0917 0.58
+  136.0872 C7H10N3+ 1 136.0869 1.7
+  137.0709 C7H9N2O+ 1 137.0709 0.02
+  137.1072 C8H13N2+ 1 137.1073 -0.82
+  138.0544 C7H8NO2+ 1 138.055 -3.93
+  138.0659 C6H8N3O+ 1 138.0662 -1.97
+  139.0498 C6H7N2O2+ 1 139.0502 -2.6
+  140.0818 C6H10N3O+ 1 140.0818 -0.47
+  141.102 C7H13N2O+ 1 141.1022 -2.03
+  144.0801 C10H10N+ 1 144.0808 -4.63
+  146.096 C10H12N+ 1 146.0964 -2.87
+  148.0757 C9H10NO+ 1 148.0757 0.34
+  149.0704 C8H9N2O+ 1 149.0709 -3.62
+  149.0834 C9H11NO+ 1 149.0835 -0.77
+  150.1024 C8H12N3+ 1 150.1026 -1.27
+  158.0961 C11H12N+ 1 158.0964 -1.92
+  164.1068 C10H14NO+ 1 164.107 -1.11
+  168.0808 C12H10N+ 1 168.0808 -0.13
+  170.0961 C12H12N+ 1 170.0964 -1.88
+  198.0918 C13H12NO+ 1 198.0913 2.09
+PK$NUM_PEAK: 42
+PK$PEAK: m/z int. rel.int.
+  110.0602 1649523.1 69
+  111.0553 3426538.8 144
+  112.0395 1031775.7 43
+  112.0868 5891206 248
+  113.071 1830385.8 77
+  114.0549 1614589.2 68
+  115.0544 1231324.1 51
+  115.0864 3493817.2 147
+  117.0574 3423813.8 144
+  118.0648 1662872.8 70
+  120.0807 19316526 815
+  121.0648 15167549 640
+  123.0806 2786052 117
+  125.0708 4371792 184
+  128.0619 1614337.2 68
+  130.0651 1511862.1 63
+  131.0492 547608.6 23
+  132.0806 4976942 210
+  133.0883 3667549.5 154
+  134.06 4475093.5 188
+  135.0438 975129.9 41
+  135.0802 6154230 259
+  135.0918 725483.8 30
+  136.0872 649283.9 27
+  137.0709 924152.9 39
+  137.1072 571955.4 24
+  138.0544 578395.9 24
+  138.0659 2163720.8 91
+  139.0498 455354.8 19
+  140.0818 733108 30
+  141.102 668684.5 28
+  144.0801 703882.9 29
+  146.096 1885018.2 79
+  148.0757 1136946.6 48
+  149.0704 2476124 104
+  149.0834 10892937 460
+  150.1024 2174049 91
+  158.0961 1798137.5 75
+  164.1068 23655956 999
+  168.0808 3169427 133
+  170.0961 8017404.5 338
+  198.0918 1579208.4 66
+//
diff --git a/Eawag/MSBNK-EAWAG-ED046751.txt b/Eawag/MSBNK-EAWAG-ED046751.txt
new file mode 100644
index 0000000000..9da7197872
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED046751.txt
@@ -0,0 +1,48 @@
+ACCESSION: MSBNK-EAWAG-ED046751
+RECORD_TITLE: Cyanopeptolin CP1048; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md16070220
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 467
+CH$NAME: Cyanopeptolin CP1048
+CH$NAME: 4-((2-benzyl-15-(3-guanidinopropyl)-21-hydroxy-5-(4-hydroxyphenethyl)-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-octanamido-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H76N10O13
+CH$EXACT_MASS: 1048.559332
+CH$SMILES: O=C(NC(C(NC(C(NC(CCCNC(N)=N)C(NC1C(N(C(C(N(C(C(NC2C(C)C)=O)CCC3=CC=C(O)C=C3)C)=O)CC4=CC=CC=C4)C(O)CC1)=O)=O)=O)C(OC2=O)C)=O)CC(O)=O)CCCCCCC
+CH$IUPAC: InChI=1S/C52H76N10O13/c1-6-7-8-9-13-18-40(64)56-37(29-42(66)67)46(69)60-44-31(4)75-51(74)43(30(2)3)59-47(70)38(25-21-32-19-22-34(63)23-20-32)61(5)50(73)39(28-33-15-11-10-12-16-33)62-41(65)26-24-36(49(62)72)58-45(68)35(57-48(44)71)17-14-27-55-52(53)54/h10-12,15-16,19-20,22-23,30-31,35-39,41,43-44,63,65H,6-9,13-14,17-18,21,24-29H2,1-5H3,(H,56,64)(H,57,71)(H,58,68)(H,59,70)(H,60,69)(H,66,67)(H4,53,54,55)
+CH$LINK: PUBCHEM CID:146684844
+CH$LINK: INCHIKEY VYXPXPDSGOMRCH-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 108-1090
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.873 min
+MS$FOCUSED_ION: BASE_PEAK 1047.5538
+MS$FOCUSED_ION: PRECURSOR_M/Z 1047.5521
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0002-9000000000-f2f1b2a2f8934172173a
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  886.4091 C44H56N9O11- 4 886.4105 -1.5
+  1029.5411 C52H73N10O12- 1 1029.5415 -0.39
+  1047.5528 C52H75N10O13- 1 1047.5521 0.73
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  886.4091 2216807.8 19
+  1029.5411 7047109 63
+  1047.5528 110754696 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED046752.txt b/Eawag/MSBNK-EAWAG-ED046752.txt
new file mode 100644
index 0000000000..863137670b
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED046752.txt
@@ -0,0 +1,56 @@
+ACCESSION: MSBNK-EAWAG-ED046752
+RECORD_TITLE: Cyanopeptolin CP1048; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md16070220
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 467
+CH$NAME: Cyanopeptolin CP1048
+CH$NAME: 4-((2-benzyl-15-(3-guanidinopropyl)-21-hydroxy-5-(4-hydroxyphenethyl)-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-octanamido-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H76N10O13
+CH$EXACT_MASS: 1048.559332
+CH$SMILES: O=C(NC(C(NC(C(NC(CCCNC(N)=N)C(NC1C(N(C(C(N(C(C(NC2C(C)C)=O)CCC3=CC=C(O)C=C3)C)=O)CC4=CC=CC=C4)C(O)CC1)=O)=O)=O)C(OC2=O)C)=O)CC(O)=O)CCCCCCC
+CH$IUPAC: InChI=1S/C52H76N10O13/c1-6-7-8-9-13-18-40(64)56-37(29-42(66)67)46(69)60-44-31(4)75-51(74)43(30(2)3)59-47(70)38(25-21-32-19-22-34(63)23-20-32)61(5)50(73)39(28-33-15-11-10-12-16-33)62-41(65)26-24-36(49(62)72)58-45(68)35(57-48(44)71)17-14-27-55-52(53)54/h10-12,15-16,19-20,22-23,30-31,35-39,41,43-44,63,65H,6-9,13-14,17-18,21,24-29H2,1-5H3,(H,56,64)(H,57,71)(H,58,68)(H,59,70)(H,60,69)(H,66,67)(H4,53,54,55)
+CH$LINK: PUBCHEM CID:146684844
+CH$LINK: INCHIKEY VYXPXPDSGOMRCH-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 108-1090
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.873 min
+MS$FOCUSED_ION: BASE_PEAK 1047.5538
+MS$FOCUSED_ION: PRECURSOR_M/Z 1047.5521
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0002-9000000000-9ed3fec0bea7d7d9a979
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  114.3953 H52NO3- 1 114.3953 0.61
+  565.2522 C41H31N3- 9 565.2523 -0.23
+  798.3942 C41H52N9O8- 9 798.3944 -0.26
+  806.4213 C40H56N9O9- 11 806.4206 0.77
+  886.4099 C44H56N9O11- 4 886.4105 -0.67
+  1029.5412 C52H73N10O12- 1 1029.5415 -0.27
+  1047.5524 C52H75N10O13- 1 1047.5521 0.38
+PK$NUM_PEAK: 7
+PK$PEAK: m/z int. rel.int.
+  114.3953 1372259.4 24
+  565.2522 1870215 32
+  798.3942 2449058 43
+  806.4213 1668005.9 29
+  886.4099 7620608 134
+  1029.5412 28178598 496
+  1047.5524 56648520 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED046753.txt b/Eawag/MSBNK-EAWAG-ED046753.txt
new file mode 100644
index 0000000000..9a2c2480d2
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED046753.txt
@@ -0,0 +1,74 @@
+ACCESSION: MSBNK-EAWAG-ED046753
+RECORD_TITLE: Cyanopeptolin CP1048; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md16070220
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 467
+CH$NAME: Cyanopeptolin CP1048
+CH$NAME: 4-((2-benzyl-15-(3-guanidinopropyl)-21-hydroxy-5-(4-hydroxyphenethyl)-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-octanamido-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H76N10O13
+CH$EXACT_MASS: 1048.559332
+CH$SMILES: O=C(NC(C(NC(C(NC(CCCNC(N)=N)C(NC1C(N(C(C(N(C(C(NC2C(C)C)=O)CCC3=CC=C(O)C=C3)C)=O)CC4=CC=CC=C4)C(O)CC1)=O)=O)=O)C(OC2=O)C)=O)CC(O)=O)CCCCCCC
+CH$IUPAC: InChI=1S/C52H76N10O13/c1-6-7-8-9-13-18-40(64)56-37(29-42(66)67)46(69)60-44-31(4)75-51(74)43(30(2)3)59-47(70)38(25-21-32-19-22-34(63)23-20-32)61(5)50(73)39(28-33-15-11-10-12-16-33)62-41(65)26-24-36(49(62)72)58-45(68)35(57-48(44)71)17-14-27-55-52(53)54/h10-12,15-16,19-20,22-23,30-31,35-39,41,43-44,63,65H,6-9,13-14,17-18,21,24-29H2,1-5H3,(H,56,64)(H,57,71)(H,58,68)(H,59,70)(H,60,69)(H,66,67)(H4,53,54,55)
+CH$LINK: PUBCHEM CID:146684844
+CH$LINK: INCHIKEY VYXPXPDSGOMRCH-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 108-1090
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.873 min
+MS$FOCUSED_ION: BASE_PEAK 1047.5538
+MS$FOCUSED_ION: PRECURSOR_M/Z 1047.5521
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-004r-9000020050-fb48ee6a3b991a233735
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  114.3952 H52NO3- 1 114.3953 -0.92
+  379.1729 C15H27N2O9- 3 379.1722 1.73
+  541.2417 C27H29N10O3- 9 541.243 -2.27
+  565.2524 C41H31N3- 9 565.2523 0.09
+  583.2631 C41H33N3O- 9 583.2629 0.33
+  798.3939 C41H52N9O8- 10 798.3944 -0.72
+  806.4205 C40H56N9O9- 9 806.4206 -0.22
+  844.388 C43H54N7O11- 7 844.3887 -0.79
+  869.3845 C44H53N8O11- 5 869.3839 0.71
+  886.41 C44H56N9O11- 4 886.4105 -0.54
+  932.5232 C45H72N8O13- 5 932.5224 0.86
+  985.5392 C52H73N8O11- 2 985.5404 -1.2
+  987.5202 C51H71N8O12- 1 987.5197 0.52
+  1012.5134 C52H70N9O12- 1 1012.5149 -1.55
+  1029.541 C52H73N10O12- 1 1029.5415 -0.51
+  1047.552 C52H75N10O13- 1 1047.5521 -0.09
+PK$NUM_PEAK: 16
+PK$PEAK: m/z int. rel.int.
+  114.3952 1882109.4 48
+  379.1729 831402 21
+  541.2417 772024.9 19
+  565.2524 3917437.5 101
+  583.2631 12917282 333
+  798.3939 4092128.2 105
+  806.4205 4798616 123
+  844.388 581815.1 15
+  869.3845 960264.8 24
+  886.41 28996316 748
+  932.5232 587883.9 15
+  985.5392 443496.9 11
+  987.5202 804900.7 20
+  1012.5134 1003643.9 25
+  1029.541 38682776 999
+  1047.552 13973894 360
+//
diff --git a/Eawag/MSBNK-EAWAG-ED046754.txt b/Eawag/MSBNK-EAWAG-ED046754.txt
new file mode 100644
index 0000000000..877b21cf0b
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED046754.txt
@@ -0,0 +1,88 @@
+ACCESSION: MSBNK-EAWAG-ED046754
+RECORD_TITLE: Cyanopeptolin CP1048; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md16070220
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 467
+CH$NAME: Cyanopeptolin CP1048
+CH$NAME: 4-((2-benzyl-15-(3-guanidinopropyl)-21-hydroxy-5-(4-hydroxyphenethyl)-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-octanamido-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H76N10O13
+CH$EXACT_MASS: 1048.559332
+CH$SMILES: O=C(NC(C(NC(C(NC(CCCNC(N)=N)C(NC1C(N(C(C(N(C(C(NC2C(C)C)=O)CCC3=CC=C(O)C=C3)C)=O)CC4=CC=CC=C4)C(O)CC1)=O)=O)=O)C(OC2=O)C)=O)CC(O)=O)CCCCCCC
+CH$IUPAC: InChI=1S/C52H76N10O13/c1-6-7-8-9-13-18-40(64)56-37(29-42(66)67)46(69)60-44-31(4)75-51(74)43(30(2)3)59-47(70)38(25-21-32-19-22-34(63)23-20-32)61(5)50(73)39(28-33-15-11-10-12-16-33)62-41(65)26-24-36(49(62)72)58-45(68)35(57-48(44)71)17-14-27-55-52(53)54/h10-12,15-16,19-20,22-23,30-31,35-39,41,43-44,63,65H,6-9,13-14,17-18,21,24-29H2,1-5H3,(H,56,64)(H,57,71)(H,58,68)(H,59,70)(H,60,69)(H,66,67)(H4,53,54,55)
+CH$LINK: PUBCHEM CID:146684844
+CH$LINK: INCHIKEY VYXPXPDSGOMRCH-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 108-1090
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.873 min
+MS$FOCUSED_ION: BASE_PEAK 1047.5538
+MS$FOCUSED_ION: PRECURSOR_M/Z 1047.5521
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-000i-1000020190-64a1079dc832bb840aed
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  114.3951 H52NO3- 1 114.3953 -1.05
+  135.0562 C7H7N2O- 1 135.0564 -1.15
+  179.0454 C6H5N5O2- 2 179.0449 2.93
+  221.0671 C8H13O7- 3 221.0667 1.85
+  238.0934 C8H16NO7- 3 238.0932 0.69
+  251.1138 C10H19O7- 3 251.1136 0.66
+  541.2417 C27H29N10O3- 9 541.243 -2.38
+  549.2715 C30H37N4O6- 9 549.2719 -0.71
+  565.2523 C41H31N3- 9 565.2523 -0.02
+  583.2632 C41H33N3O- 8 583.2629 0.43
+  723.3836 C37H57NO13- 12 723.3835 0.14
+  798.394 C41H52N9O8- 9 798.3944 -0.49
+  806.4207 C40H56N9O9- 11 806.4206 0.01
+  842.4143 C40H58N8O12- 8 842.418 -4.33
+  844.3887 C43H54N7O11- 7 844.3887 0.01
+  869.3839 C44H53N8O11- 6 869.3839 0.01
+  886.4101 C44H56N9O11- 5 886.4105 -0.4
+  932.521 C45H72N8O13- 3 932.5224 -1.49
+  985.5442 C52H73N8O11- 2 985.5404 3.82
+  987.52 C51H71N8O12- 1 987.5197 0.33
+  1012.5136 C52H70N9O12- 1 1012.5149 -1.31
+  1029.5413 C52H73N10O12- 1 1029.5415 -0.15
+  1047.5518 C52H75N10O13- 1 1047.5521 -0.21
+PK$NUM_PEAK: 23
+PK$PEAK: m/z int. rel.int.
+  114.3951 364000.9 11
+  135.0562 391827.9 12
+  179.0454 1057096.8 34
+  221.0671 483149.5 15
+  238.0934 368927.9 12
+  251.1138 916956.2 29
+  541.2417 1366752.4 44
+  549.2715 1499510.1 49
+  565.2523 2371758.8 77
+  583.2632 6881552 225
+  723.3836 2972273.8 97
+  798.394 2002308.6 65
+  806.4207 4330862.5 141
+  842.4143 1031324.2 33
+  844.3887 2354919 77
+  869.3839 3230857.8 105
+  886.4101 30551048 999
+  932.521 440696.1 14
+  985.5442 314331.1 10
+  987.52 521409.1 17
+  1012.5136 475003.4 15
+  1029.5413 7425466.5 242
+  1047.5518 1113359.2 36
+//
diff --git a/Eawag/MSBNK-EAWAG-ED046755.txt b/Eawag/MSBNK-EAWAG-ED046755.txt
new file mode 100644
index 0000000000..582efa4c3a
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED046755.txt
@@ -0,0 +1,190 @@
+ACCESSION: MSBNK-EAWAG-ED046755
+RECORD_TITLE: Cyanopeptolin CP1048; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md16070220
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 467
+CH$NAME: Cyanopeptolin CP1048
+CH$NAME: 4-((2-benzyl-15-(3-guanidinopropyl)-21-hydroxy-5-(4-hydroxyphenethyl)-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-octanamido-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H76N10O13
+CH$EXACT_MASS: 1048.559332
+CH$SMILES: O=C(NC(C(NC(C(NC(CCCNC(N)=N)C(NC1C(N(C(C(N(C(C(NC2C(C)C)=O)CCC3=CC=C(O)C=C3)C)=O)CC4=CC=CC=C4)C(O)CC1)=O)=O)=O)C(OC2=O)C)=O)CC(O)=O)CCCCCCC
+CH$IUPAC: InChI=1S/C52H76N10O13/c1-6-7-8-9-13-18-40(64)56-37(29-42(66)67)46(69)60-44-31(4)75-51(74)43(30(2)3)59-47(70)38(25-21-32-19-22-34(63)23-20-32)61(5)50(73)39(28-33-15-11-10-12-16-33)62-41(65)26-24-36(49(62)72)58-45(68)35(57-48(44)71)17-14-27-55-52(53)54/h10-12,15-16,19-20,22-23,30-31,35-39,41,43-44,63,65H,6-9,13-14,17-18,21,24-29H2,1-5H3,(H,56,64)(H,57,71)(H,58,68)(H,59,70)(H,60,69)(H,66,67)(H4,53,54,55)
+CH$LINK: PUBCHEM CID:146684844
+CH$LINK: INCHIKEY VYXPXPDSGOMRCH-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 108-1090
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.873 min
+MS$FOCUSED_ION: BASE_PEAK 1047.5538
+MS$FOCUSED_ION: PRECURSOR_M/Z 1047.5521
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-000i-0922010100-bb55e4b9845038e6af72
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  109.0407 C5H5N2O- 1 109.0407 -0.17
+  110.0248 C5H4NO2- 1 110.0248 0.21
+  110.0358 C4H4N3O- 1 110.036 -1.55
+  111.0201 C4H3N2O2- 1 111.02 1.11
+  111.0562 C5H7N2O- 1 111.0564 -1.72
+  112.0405 C5H6NO2- 1 112.0404 0.72
+  113.0354 C4H5N2O2- 1 113.0357 -2.05
+  116.0716 C5H10NO2- 1 116.0717 -0.59
+  122.0611 C7H8NO- 1 122.0611 -0.51
+  123.045 C7H7O2- 1 123.0452 -1.05
+  123.0564 C6H7N2O- 1 123.0564 0.48
+  124.0403 C6H6NO2- 1 124.0404 -0.72
+  124.0517 C5H6N3O- 1 124.0516 0.3
+  125.0355 C5H5N2O2- 1 125.0357 -1.26
+  127.0511 C5H7N2O2- 1 127.0513 -1.33
+  130.0989 C5H12N3O- 1 130.0986 2.17
+  135.0562 C7H7N2O- 1 135.0564 -1.38
+  136.0401 C7H6NO2- 1 136.0404 -2.06
+  136.0519 C6H6N3O- 1 136.0516 1.73
+  137.0357 C6H5N2O2- 1 137.0357 0.26
+  137.072 C7H9N2O- 1 137.072 -0.48
+  138.056 C7H8NO2- 1 138.0561 -0.18
+  140.0351 C6H6NO3- 1 140.0353 -1.8
+  141.1028 C7H13N2O- 1 141.1033 -3.69
+  142.0508 C6H8NO3- 1 142.051 -1.48
+  142.1234 C8H16NO- 1 142.1237 -2.03
+  148.0763 C9H10NO- 1 148.0768 -3.49
+  149.072 C8H9N2O- 1 149.072 -0.14
+  152.0833 C7H10N3O- 1 152.0829 2.4
+  153.0303 C6H5N2O3- 1 153.0306 -1.77
+  153.0671 C7H9N2O2- 1 153.067 0.66
+  155.0935 C6H11N4O- 1 155.0938 -2.45
+  156.0772 C6H10N3O2- 2 156.0779 -4.22
+  158.0608 C10H8NO- 1 158.0611 -2.07
+  160.0763 C10H10NO- 1 160.0768 -3.2
+  161.0352 C8H5N2O2- 1 161.0357 -2.59
+  162.0558 C9H8NO2- 1 162.0561 -1.52
+  163.0511 C8H7N2O2- 1 163.0513 -1.45
+  165.1028 C9H13N2O- 2 165.1033 -3.52
+  166.0982 C8H12N3O- 1 166.0986 -2.43
+  170.0925 C5H10N6O- 1 170.0922 2.15
+  172.1201 C6H14N5O- 1 172.1204 -1.8
+  176.0707 C8H8N4O- 1 176.0704 2.1
+  177.1027 C10H13N2O- 2 177.1033 -3.68
+  178.0621 C8H8N3O2- 1 178.0622 -0.55
+  179.0454 C6H5N5O2- 2 179.0449 2.85
+  187.1193 C6H19O6- 3 187.1187 3.23
+  194.1049 C8H12N5O- 1 194.1047 0.76
+  195.0881 C8H11N4O2- 3 195.0887 -3.53
+  196.0724 C8H10N3O3- 2 196.0728 -2.02
+  203.0813 C9H9N5O- 1 203.0813 0.12
+  207.0895 C9H11N4O2- 2 207.0887 3.56
+  212.1147 C8H14N5O2- 3 212.1153 -2.6
+  221.104 C10H13N4O2- 3 221.1044 -1.62
+  229.1405 C7H21N2O6- 2 229.1405 0.01
+  232.1081 C10H12N6O- 2 232.1078 1.42
+  232.1341 C14H18NO2- 3 232.1343 -0.97
+  234.1245 C12H16N3O2- 2 234.1248 -1.48
+  238.0938 C8H16NO7- 3 238.0932 2.62
+  242.0823 C14H12NO3- 2 242.0823 0.26
+  251.1141 C10H19O7- 3 251.1136 1.88
+  255.1567 C9H23N2O6- 3 255.1562 2.23
+  260.1029 C11H12N6O2- 2 260.1027 0.72
+  262.1235 C18H16NO- 5 262.1237 -0.99
+  267.1097 C11H15N4O4- 3 267.1099 -0.69
+  272.1043 C14H14N3O3- 3 272.1041 0.78
+  307.1655 H23N10O9- 4 307.1655 0.07
+  337.1545 C18H19N5O2- 7 337.1544 0.25
+  379.1725 C15H27N2O9- 4 379.1722 0.69
+  541.2421 C27H29N10O3- 9 541.243 -1.59
+  549.2715 C30H37N4O6- 9 549.2719 -0.59
+  583.2628 C41H33N3O- 9 583.2629 -0.19
+  723.3836 C37H57NO13- 12 723.3835 0.05
+  886.4107 C44H56N9O11- 5 886.4105 0.22
+PK$NUM_PEAK: 74
+PK$PEAK: m/z int. rel.int.
+  109.0407 67095.2 29
+  110.0248 345514.4 150
+  110.0358 80087.6 34
+  111.0201 80870.4 35
+  111.0562 235378.9 102
+  112.0405 119917.1 52
+  113.0354 141492.7 61
+  116.0716 2072406.4 901
+  122.0611 154690.6 67
+  123.045 169465.6 73
+  123.0564 159918.5 69
+  124.0403 283407.5 123
+  124.0517 498615.9 216
+  125.0355 472514.3 205
+  127.0511 199983.4 87
+  130.0989 53850.9 23
+  135.0562 1575348.6 685
+  136.0401 337919.1 147
+  136.0519 50356.5 21
+  137.0357 87410.4 38
+  137.072 24324.9 10
+  138.056 59765.3 26
+  140.0351 443437 192
+  141.1028 267660.7 116
+  142.0508 222078.8 96
+  142.1234 331207.2 144
+  148.0763 24472.9 10
+  149.072 50817.8 22
+  152.0833 111834.7 48
+  153.0303 181624.6 79
+  153.0671 278872.9 121
+  155.0935 92016.3 40
+  156.0772 188200.2 81
+  158.0608 46532.4 20
+  160.0763 1458651.9 634
+  161.0352 48755.6 21
+  162.0558 86191.6 37
+  163.0511 60247.1 26
+  165.1028 511105.5 222
+  166.0982 93639.5 40
+  170.0925 292898 127
+  172.1201 128479.6 55
+  176.0707 400389.8 174
+  177.1027 91218.8 39
+  178.0621 249176.2 108
+  179.0454 1102662 479
+  187.1193 213248.8 92
+  194.1049 205023 89
+  195.0881 705266.3 306
+  196.0724 105226.7 45
+  203.0813 496323.4 215
+  207.0895 211930.3 92
+  212.1147 390118.6 169
+  221.104 143982.1 62
+  229.1405 319039.2 138
+  232.1081 236683.5 103
+  232.1341 522516.9 227
+  234.1245 290411.5 126
+  238.0938 236783 103
+  242.0823 76980.7 33
+  251.1141 733527.2 319
+  255.1567 126613.3 55
+  260.1029 548916.5 238
+  262.1235 66551.7 28
+  267.1097 141347.3 61
+  272.1043 100907.4 43
+  307.1655 2295546 999
+  337.1545 2139923.5 931
+  379.1725 268140.8 116
+  541.2421 517235.4 225
+  549.2715 1139259.6 495
+  583.2628 598098.8 260
+  723.3836 1754911.5 763
+  886.4107 926937 403
+//
diff --git a/Eawag/MSBNK-EAWAG-ED046756.txt b/Eawag/MSBNK-EAWAG-ED046756.txt
new file mode 100644
index 0000000000..dd60a96045
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED046756.txt
@@ -0,0 +1,190 @@
+ACCESSION: MSBNK-EAWAG-ED046756
+RECORD_TITLE: Cyanopeptolin CP1048; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md16070220
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 467
+CH$NAME: Cyanopeptolin CP1048
+CH$NAME: 4-((2-benzyl-15-(3-guanidinopropyl)-21-hydroxy-5-(4-hydroxyphenethyl)-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-octanamido-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H76N10O13
+CH$EXACT_MASS: 1048.559332
+CH$SMILES: O=C(NC(C(NC(C(NC(CCCNC(N)=N)C(NC1C(N(C(C(N(C(C(NC2C(C)C)=O)CCC3=CC=C(O)C=C3)C)=O)CC4=CC=CC=C4)C(O)CC1)=O)=O)=O)C(OC2=O)C)=O)CC(O)=O)CCCCCCC
+CH$IUPAC: InChI=1S/C52H76N10O13/c1-6-7-8-9-13-18-40(64)56-37(29-42(66)67)46(69)60-44-31(4)75-51(74)43(30(2)3)59-47(70)38(25-21-32-19-22-34(63)23-20-32)61(5)50(73)39(28-33-15-11-10-12-16-33)62-41(65)26-24-36(49(62)72)58-45(68)35(57-48(44)71)17-14-27-55-52(53)54/h10-12,15-16,19-20,22-23,30-31,35-39,41,43-44,63,65H,6-9,13-14,17-18,21,24-29H2,1-5H3,(H,56,64)(H,57,71)(H,58,68)(H,59,70)(H,60,69)(H,66,67)(H4,53,54,55)
+CH$LINK: PUBCHEM CID:146684844
+CH$LINK: INCHIKEY VYXPXPDSGOMRCH-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 108-1090
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.873 min
+MS$FOCUSED_ION: BASE_PEAK 1047.5538
+MS$FOCUSED_ION: PRECURSOR_M/Z 1047.5521
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0409-0910000000-65eee31f74ee41c6e5ab
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  109.0407 C5H5N2O- 1 109.0407 -0.31
+  110.0248 C5H4NO2- 1 110.0248 0.28
+  110.0356 C4H4N3O- 1 110.036 -3.28
+  111.0199 C4H3N2O2- 1 111.02 -0.47
+  111.0562 C5H7N2O- 1 111.0564 -1.51
+  112.0282 C4H4N2O2- 1 112.0278 3.67
+  113.0356 C4H5N2O2- 1 113.0357 -0.43
+  116.0716 C5H10NO2- 1 116.0717 -0.46
+  118.0661 C8H8N- 1 118.0662 -1.04
+  119.0502 C8H7O- 1 119.0502 -0.07
+  120.0455 C7H6NO- 1 120.0455 0.51
+  122.061 C7H8NO- 1 122.0611 -1.14
+  123.0451 C7H7O2- 1 123.0452 -0.55
+  123.0565 C6H7N2O- 1 123.0564 1.22
+  124.0404 C6H6NO2- 1 124.0404 -0.35
+  124.0516 C5H6N3O- 1 124.0516 -0.13
+  125.0355 C5H5N2O2- 1 125.0357 -1.08
+  127.0511 C5H7N2O2- 1 127.0513 -1.39
+  130.0986 C5H12N3O- 1 130.0986 0.06
+  131.0825 C5H11N2O2- 1 131.0826 -0.84
+  135.0562 C7H7N2O- 1 135.0564 -1.49
+  136.0402 C7H6NO2- 1 136.0404 -1.5
+  136.0519 C6H6N3O- 1 136.0516 1.73
+  136.0766 C8H10NO- 1 136.0768 -1.67
+  137.0356 C6H5N2O2- 1 137.0357 -0.19
+  137.1081 C8H13N2- 1 137.1084 -2.21
+  138.031 C5H4N3O2- 1 138.0309 0.52
+  139.051 C6H7N2O2- 1 139.0513 -2.11
+  139.0876 C7H11N2O- 1 139.0877 -0.31
+  140.0352 C6H6NO3- 1 140.0353 -1.15
+  141.0668 C6H9N2O2- 1 141.067 -0.82
+  141.1031 C7H13N2O- 1 141.1033 -1.86
+  142.0507 C6H8NO3- 1 142.051 -1.91
+  142.1233 C8H16NO- 1 142.1237 -2.79
+  150.0673 C7H8N3O- 1 150.0673 0.21
+  151.051 C7H7N2O2- 1 151.0513 -2.13
+  152.0348 C7H6NO3- 1 152.0353 -3.35
+  152.0831 C7H10N3O- 1 152.0829 1.39
+  153.0303 C6H5N2O3- 1 153.0306 -1.57
+  153.0664 C7H9N2O2- 2 153.067 -3.92
+  154.0984 C7H12N3O- 1 154.0986 -1.53
+  156.0775 C6H10N3O2- 1 156.0779 -2.56
+  160.0762 C10H10NO- 1 160.0768 -3.39
+  161.035 C8H5N2O2- 2 161.0357 -3.91
+  163.0506 C8H7N2O2- 2 163.0513 -4.44
+  165.1028 C9H13N2O- 1 165.1033 -2.97
+  166.0979 C8H12N3O- 2 166.0986 -4.18
+  168.0771 C7H10N3O2- 2 168.0779 -4.44
+  168.1136 C8H14N3O- 2 168.1142 -4.04
+  170.0928 C5H10N6O- 2 170.0922 3.5
+  176.0707 C8H8N4O- 1 176.0704 2.19
+  178.0621 C8H8N3O2- 1 178.0622 -0.47
+  179.0455 C6H5N5O2- 2 179.0449 3.27
+  182.0921 C6H10N6O- 1 182.0922 -0.54
+  186.055 C9H6N4O- 1 186.0547 1.69
+  187.1192 C6H19O6- 3 187.1187 2.74
+  194.1053 C8H12N5O- 2 194.1047 3.04
+  195.0884 C8H11N4O2- 3 195.0887 -1.97
+  196.1079 C7H12N6O- 1 196.1078 0.42
+  201.0663 C11H9N2O2- 2 201.067 -3.33
+  203.0815 C9H9N5O- 1 203.0813 1.03
+  204.1137 C11H14N3O- 2 204.1142 -2.46
+  206.0936 C10H12N3O2- 1 206.0935 0.24
+  212.1147 C8H14N5O2- 3 212.1153 -2.68
+  213.0986 C7H17O7- 3 213.098 2.71
+  215.0822 C12H11N2O2- 2 215.0826 -1.98
+  217.0973 C10H11N5O- 2 217.0969 1.92
+  229.1409 C7H21N2O6- 3 229.1405 1.61
+  232.1079 C10H12N6O- 1 232.1078 0.37
+  232.134 C14H18NO2- 3 232.1343 -1.49
+  260.1032 C11H12N6O2- 2 260.1027 1.66
+  270.1567 C11H20N5O3- 3 270.1572 -1.71
+  307.166 H23N10O9- 4 307.1655 1.76
+  337.1547 C18H19N5O2- 8 337.1544 0.88
+PK$NUM_PEAK: 74
+PK$PEAK: m/z int. rel.int.
+  109.0407 175652.1 56
+  110.0248 685275.8 219
+  110.0356 86930.3 27
+  111.0199 197070.9 63
+  111.0562 321313.8 103
+  112.0282 192483.5 61
+  113.0356 246781.3 79
+  116.0716 3114710.2 999
+  118.0661 73734.1 23
+  119.0502 81624.6 26
+  120.0455 56903 18
+  122.061 169066.6 54
+  123.0451 149780.5 48
+  123.0565 190665.1 61
+  124.0404 314286.4 100
+  124.0516 301987.1 96
+  125.0355 1445125.6 463
+  127.0511 247535.5 79
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+  337.1547 628396.9 201
+//
diff --git a/Eawag/MSBNK-EAWAG-ED046757.txt b/Eawag/MSBNK-EAWAG-ED046757.txt
new file mode 100644
index 0000000000..67667de035
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED046757.txt
@@ -0,0 +1,198 @@
+ACCESSION: MSBNK-EAWAG-ED046757
+RECORD_TITLE: Cyanopeptolin CP1048; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md16070220
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 467
+CH$NAME: Cyanopeptolin CP1048
+CH$NAME: 4-((2-benzyl-15-(3-guanidinopropyl)-21-hydroxy-5-(4-hydroxyphenethyl)-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-octanamido-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H76N10O13
+CH$EXACT_MASS: 1048.559332
+CH$SMILES: O=C(NC(C(NC(C(NC(CCCNC(N)=N)C(NC1C(N(C(C(N(C(C(NC2C(C)C)=O)CCC3=CC=C(O)C=C3)C)=O)CC4=CC=CC=C4)C(O)CC1)=O)=O)=O)C(OC2=O)C)=O)CC(O)=O)CCCCCCC
+CH$IUPAC: InChI=1S/C52H76N10O13/c1-6-7-8-9-13-18-40(64)56-37(29-42(66)67)46(69)60-44-31(4)75-51(74)43(30(2)3)59-47(70)38(25-21-32-19-22-34(63)23-20-32)61(5)50(73)39(28-33-15-11-10-12-16-33)62-41(65)26-24-36(49(62)72)58-45(68)35(57-48(44)71)17-14-27-55-52(53)54/h10-12,15-16,19-20,22-23,30-31,35-39,41,43-44,63,65H,6-9,13-14,17-18,21,24-29H2,1-5H3,(H,56,64)(H,57,71)(H,58,68)(H,59,70)(H,60,69)(H,66,67)(H4,53,54,55)
+CH$LINK: PUBCHEM CID:146684844
+CH$LINK: INCHIKEY VYXPXPDSGOMRCH-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 108-1090
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.873 min
+MS$FOCUSED_ION: BASE_PEAK 1047.5538
+MS$FOCUSED_ION: PRECURSOR_M/Z 1047.5521
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-02br-0900000000-c86a1f1b34a7fa7881a1
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  109.0407 C5H5N2O- 1 109.0407 -0.59
+  110.0126 C4H2N2O2- 1 110.0122 3.63
+  110.0248 C5H4NO2- 1 110.0248 0.35
+  110.0355 C4H4N3O- 1 110.036 -4.74
+  110.0612 C6H8NO- 1 110.0611 0.13
+  110.0723 C5H8N3- 1 110.0724 -0.38
+  111.0199 C4H3N2O2- 1 111.02 -0.47
+  111.0563 C5H7N2O- 1 111.0564 -0.34
+  112.0278 C4H4N2O2- 1 112.0278 -0.21
+  112.0403 C5H6NO2- 1 112.0404 -1.26
+  113.0356 C4H5N2O2- 1 113.0357 -0.16
+  116.0506 C8H6N- 1 116.0506 0.42
+  116.0716 C5H10NO2- 1 116.0717 -0.53
+  117.0346 C8H5O- 1 117.0346 -0.29
+  118.0658 C8H8N- 1 118.0662 -3.17
+  119.0501 C8H7O- 1 119.0502 -0.78
+  120.0453 C7H6NO- 1 120.0455 -1.78
+  121.0406 C6H5N2O- 1 121.0407 -1.22
+  122.0609 C7H8NO- 1 122.0611 -1.89
+  123.0449 C7H7O2- 1 123.0452 -1.98
+  123.0563 C6H7N2O- 1 123.0564 -0.88
+  124.0403 C6H6NO2- 1 124.0404 -1.09
+  124.0515 C5H6N3O- 1 124.0516 -0.75
+  125.0355 C5H5N2O2- 1 125.0357 -1.08
+  127.0513 C5H7N2O2- 1 127.0513 0.36
+  130.0985 C5H12N3O- 1 130.0986 -0.64
+  131.0826 C5H11N2O2- 1 131.0826 0.33
+  133.0656 C9H9O- 1 133.0659 -2.5
+  135.0562 C7H7N2O- 1 135.0564 -1.38
+  136.04 C7H6NO2- 1 136.0404 -2.95
+  136.0515 C6H6N3O- 1 136.0516 -0.73
+  137.0355 C6H5N2O2- 1 137.0357 -1.41
+  137.1085 C8H13N2- 1 137.1084 0.68
+  138.0434 C6H6N2O2- 1 138.0435 -0.71
+  138.0558 C7H8NO2- 1 138.0561 -1.51
+  138.0673 C6H8N3O- 1 138.0673 0.13
+  138.1038 C7H12N3- 1 138.1037 0.72
+  139.0508 C6H7N2O2- 1 139.0513 -3.43
+  139.0876 C7H11N2O- 1 139.0877 -0.42
+  140.0826 C6H10N3O- 1 140.0829 -2.65
+  141.0664 C6H9N2O2- 1 141.067 -3.74
+  141.1031 C7H13N2O- 1 141.1033 -1.53
+  142.1234 C8H16NO- 1 142.1237 -2.03
+  146.0372 C9H6O2- 1 146.0373 -1.16
+  146.0607 C9H8NO- 1 146.0611 -2.97
+  147.0444 C7H5N3O- 1 147.0438 3.86
+  150.0668 C7H8N3O- 1 150.0673 -3.04
+  151.0511 C7H7N2O2- 1 151.0513 -1.02
+  152.0831 C7H10N3O- 1 152.0829 0.79
+  153.0304 C6H5N2O3- 1 153.0306 -0.97
+  153.0666 C7H9N2O2- 1 153.067 -2.03
+  156.0774 C6H10N3O2- 1 156.0779 -2.95
+  158.0606 C10H8NO- 2 158.0611 -3.61
+  160.0762 C10H10NO- 1 160.0768 -3.39
+  162.0917 C10H12NO- 2 162.0924 -4.3
+  163.0506 C8H7N2O2- 2 163.0513 -4.35
+  165.1027 C9H13N2O- 2 165.1033 -3.62
+  168.0405 C4H4N6O2- 1 168.0401 2.33
+  168.0773 C7H10N3O2- 2 168.0779 -3.26
+  168.1138 C8H14N3O- 1 168.1142 -2.77
+  169.1091 C7H13N4O- 1 169.1095 -2.24
+  175.0863 C8H9N5- 1 175.0863 -0.05
+  176.0709 C8H8N4O- 2 176.0704 3.23
+  179.0453 C6H5N5O2- 2 179.0449 2.51
+  180.1136 C9H14N3O- 2 180.1142 -3.4
+  182.092 C6H10N6O- 1 182.0922 -1.04
+  185.0714 C9H7N5- 2 185.0707 3.59
+  186.0553 C9H6N4O- 2 186.0547 3.33
+  187.1192 C6H19O6- 3 187.1187 2.58
+  195.0885 C8H11N4O2- 1 195.0887 -1.18
+  196.1078 C7H12N6O- 1 196.1078 -0.2
+  203.0816 C9H9N5O- 2 203.0813 1.85
+  212.0583 C10H6N5O- 2 212.0578 2.67
+  212.1144 C8H14N5O2- 3 212.1153 -4.04
+  213.0986 C7H17O7- 3 213.098 2.85
+  229.1407 C7H21N2O6- 3 229.1405 1.01
+  232.108 C10H12N6O- 1 232.1078 0.7
+  232.134 C14H18NO2- 3 232.1343 -1.49
+PK$NUM_PEAK: 78
+PK$PEAK: m/z int. rel.int.
+  109.0407 189081.2 71
+  110.0126 86183.9 32
+  110.0248 745960.5 280
+  110.0355 82377.8 30
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+  112.0278 345435.6 129
+  112.0403 99365.4 37
+  113.0356 241142.1 90
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+  119.0501 166277.8 62
+  120.0453 99229.8 37
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+  122.0609 116668.5 43
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+  138.0673 57519.9 21
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+  152.0831 234588.2 88
+  153.0304 142372.6 53
+  153.0666 232351 87
+  156.0774 465928 175
+  158.0606 59758.2 22
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+  176.0709 322509.9 121
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+  185.0714 72663.2 27
+  186.0553 74324.1 27
+  187.1192 1666849.1 627
+  195.0885 109903.9 41
+  196.1078 247506.6 93
+  203.0816 243139 91
+  212.0583 40049.6 15
+  212.1144 113548.7 42
+  213.0986 235922.8 88
+  229.1407 222644.9 83
+  232.108 121240.6 45
+  232.134 284215.2 106
+//
diff --git a/Eawag/MSBNK-EAWAG-ED046758.txt b/Eawag/MSBNK-EAWAG-ED046758.txt
new file mode 100644
index 0000000000..243479cc98
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED046758.txt
@@ -0,0 +1,166 @@
+ACCESSION: MSBNK-EAWAG-ED046758
+RECORD_TITLE: Cyanopeptolin CP1048; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md16070220
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 467
+CH$NAME: Cyanopeptolin CP1048
+CH$NAME: 4-((2-benzyl-15-(3-guanidinopropyl)-21-hydroxy-5-(4-hydroxyphenethyl)-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-octanamido-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H76N10O13
+CH$EXACT_MASS: 1048.559332
+CH$SMILES: O=C(NC(C(NC(C(NC(CCCNC(N)=N)C(NC1C(N(C(C(N(C(C(NC2C(C)C)=O)CCC3=CC=C(O)C=C3)C)=O)CC4=CC=CC=C4)C(O)CC1)=O)=O)=O)C(OC2=O)C)=O)CC(O)=O)CCCCCCC
+CH$IUPAC: InChI=1S/C52H76N10O13/c1-6-7-8-9-13-18-40(64)56-37(29-42(66)67)46(69)60-44-31(4)75-51(74)43(30(2)3)59-47(70)38(25-21-32-19-22-34(63)23-20-32)61(5)50(73)39(28-33-15-11-10-12-16-33)62-41(65)26-24-36(49(62)72)58-45(68)35(57-48(44)71)17-14-27-55-52(53)54/h10-12,15-16,19-20,22-23,30-31,35-39,41,43-44,63,65H,6-9,13-14,17-18,21,24-29H2,1-5H3,(H,56,64)(H,57,71)(H,58,68)(H,59,70)(H,60,69)(H,66,67)(H4,53,54,55)
+CH$LINK: PUBCHEM CID:146684844
+CH$LINK: INCHIKEY VYXPXPDSGOMRCH-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 108-1090
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.873 min
+MS$FOCUSED_ION: BASE_PEAK 1047.5538
+MS$FOCUSED_ION: PRECURSOR_M/Z 1047.5521
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0409-0900000000-91c93c9cc83392eb1396
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  109.0408 C5H5N2O- 1 109.0407 0.53
+  110.0123 C4H2N2O2- 1 110.0122 0.93
+  110.0248 C5H4NO2- 1 110.0248 0.42
+  110.0612 C6H8NO- 1 110.0611 0.82
+  111.0199 C4H3N2O2- 1 111.02 -0.68
+  111.0563 C5H7N2O- 1 111.0564 -1.1
+  112.0279 C4H4N2O2- 1 112.0278 0.54
+  112.0401 C5H6NO2- 1 112.0404 -2.82
+  113.0356 C4H5N2O2- 1 113.0357 -0.36
+  113.072 C5H9N2O- 1 113.072 -0.03
+  116.0506 C8H6N- 1 116.0506 0.62
+  116.0717 C5H10NO2- 1 116.0717 -0.4
+  117.0348 C8H5O- 1 117.0346 1.47
+  118.0425 C8H6O- 1 118.0424 0.95
+  118.066 C8H8N- 1 118.0662 -2.07
+  119.0501 C8H7O- 1 119.0502 -1.42
+  121.0407 C6H5N2O- 1 121.0407 -0.21
+  122.0247 C6H4NO2- 1 122.0248 -0.06
+  122.0611 C7H8NO- 1 122.0611 -0.2
+  123.0326 C6H5NO2- 1 123.0326 -0.09
+  123.0452 C7H7O2- 1 123.0452 0.01
+  124.0403 C6H6NO2- 1 124.0404 -0.54
+  124.0518 C5H6N3O- 1 124.0516 1.22
+  125.0355 C5H5N2O2- 1 125.0357 -1.08
+  127.0514 C5H7N2O2- 1 127.0513 0.84
+  127.0875 C6H11N2O- 1 127.0877 -1.75
+  130.0984 C5H12N3O- 1 130.0986 -1.23
+  131.0828 C5H11N2O2- 1 131.0826 1.14
+  133.0408 C7H5N2O- 1 133.0407 0.41
+  134.0485 C7H6N2O- 1 134.0486 -0.2
+  134.0608 C8H8NO- 1 134.0611 -2.38
+  135.0563 C7H7N2O- 1 135.0564 -0.81
+  136.0403 C7H6NO2- 1 136.0404 -1.05
+  136.0764 C8H10NO- 1 136.0768 -3.02
+  137.0355 C6H5N2O2- 1 137.0357 -0.75
+  137.0718 C7H9N2O- 1 137.072 -1.59
+  137.1082 C8H13N2- 1 137.1084 -1.88
+  138.0432 C6H6N2O2- 1 138.0435 -1.71
+  138.056 C7H8NO2- 1 138.0561 -0.74
+  138.0674 C6H8N3O- 1 138.0673 0.79
+  139.051 C6H7N2O2- 1 139.0513 -2.44
+  141.1031 C7H13N2O- 1 141.1033 -1.53
+  142.0989 C6H12N3O- 1 142.0986 1.98
+  142.1235 C8H16NO- 1 142.1237 -1.5
+  146.037 C9H6O2- 1 146.0373 -2.2
+  146.0613 C9H8NO- 1 146.0611 1
+  147.0688 C9H9NO- 1 147.069 -0.95
+  150.0677 C7H8N3O- 1 150.0673 3.06
+  151.0509 C7H7N2O2- 1 151.0513 -2.64
+  152.0827 C7H10N3O- 1 152.0829 -1.42
+  154.0983 C7H12N3O- 1 154.0986 -1.72
+  155.033 C5H5N3O3- 2 155.0336 -4.22
+  156.0774 C6H10N3O2- 1 156.0779 -2.75
+  160.0763 C10H10NO- 1 160.0768 -3.2
+  165.1033 C9H13N2O- 1 165.1033 -0.2
+  168.1142 C8H14N3O- 1 168.1142 -0.23
+  169.1093 C7H13N4O- 1 169.1095 -1.25
+  170.0928 C5H10N6O- 2 170.0922 3.77
+  187.1192 C6H19O6- 3 187.1187 2.82
+  196.1084 C7H12N6O- 2 196.1078 3.15
+  213.0986 C7H17O7- 3 213.098 3.13
+  232.1079 C10H12N6O- 1 232.1078 0.57
+PK$NUM_PEAK: 62
+PK$PEAK: m/z int. rel.int.
+  109.0408 166236.6 95
+  110.0123 122302.7 70
+  110.0248 517949.6 297
+  110.0612 84578.6 48
+  111.0199 223969.2 128
+  111.0563 134806.3 77
+  112.0279 420875.6 242
+  112.0401 71746 41
+  113.0356 220827.5 126
+  113.072 145065.7 83
+  116.0506 153123 88
+  116.0717 1635198.5 940
+  117.0348 89272 51
+  118.0425 62434.1 35
+  118.066 121994.5 70
+  119.0501 158851.5 91
+  121.0407 48896.1 28
+  122.0247 36371.1 20
+  122.0611 70002.1 40
+  123.0326 55261 31
+  123.0452 51737.9 29
+  124.0403 175711.3 101
+  124.0518 76192.6 43
+  125.0355 1737244 999
+  127.0514 99931.1 57
+  127.0875 41596.8 23
+  130.0984 275285.2 158
+  131.0828 66208.2 38
+  133.0408 93381.2 53
+  134.0485 41776.7 24
+  134.0608 35291.9 20
+  135.0563 667612.8 383
+  136.0403 232545.6 133
+  136.0764 32595.3 18
+  137.0355 180250.9 103
+  137.0718 88402.7 50
+  137.1082 33117.4 19
+  138.0432 52978.9 30
+  138.056 74965.8 43
+  138.0674 39373.7 22
+  139.051 88646.1 50
+  141.1031 193065.9 111
+  142.0989 34133 19
+  142.1235 248799.6 143
+  146.037 70648.3 40
+  146.0613 45226.8 26
+  147.0688 54191.4 31
+  150.0677 48026.9 27
+  151.0509 49004.8 28
+  152.0827 217618.7 125
+  154.0983 122859 70
+  155.033 28033.8 16
+  156.0774 351152 201
+  160.0763 908929.7 522
+  165.1033 63999.7 36
+  168.1142 58357.3 33
+  169.1093 258902.3 148
+  170.0928 447772.3 257
+  187.1192 1086576 624
+  196.1084 133228.7 76
+  213.0986 111811.7 64
+  232.1079 33183.3 19
+//
diff --git a/Eawag/MSBNK-EAWAG-ED046759.txt b/Eawag/MSBNK-EAWAG-ED046759.txt
new file mode 100644
index 0000000000..e1a18b2473
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED046759.txt
@@ -0,0 +1,138 @@
+ACCESSION: MSBNK-EAWAG-ED046759
+RECORD_TITLE: Cyanopeptolin CP1048; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md16070220
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 467
+CH$NAME: Cyanopeptolin CP1048
+CH$NAME: 4-((2-benzyl-15-(3-guanidinopropyl)-21-hydroxy-5-(4-hydroxyphenethyl)-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-octanamido-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H76N10O13
+CH$EXACT_MASS: 1048.559332
+CH$SMILES: O=C(NC(C(NC(C(NC(CCCNC(N)=N)C(NC1C(N(C(C(N(C(C(NC2C(C)C)=O)CCC3=CC=C(O)C=C3)C)=O)CC4=CC=CC=C4)C(O)CC1)=O)=O)=O)C(OC2=O)C)=O)CC(O)=O)CCCCCCC
+CH$IUPAC: InChI=1S/C52H76N10O13/c1-6-7-8-9-13-18-40(64)56-37(29-42(66)67)46(69)60-44-31(4)75-51(74)43(30(2)3)59-47(70)38(25-21-32-19-22-34(63)23-20-32)61(5)50(73)39(28-33-15-11-10-12-16-33)62-41(65)26-24-36(49(62)72)58-45(68)35(57-48(44)71)17-14-27-55-52(53)54/h10-12,15-16,19-20,22-23,30-31,35-39,41,43-44,63,65H,6-9,13-14,17-18,21,24-29H2,1-5H3,(H,56,64)(H,57,71)(H,58,68)(H,59,70)(H,60,69)(H,66,67)(H4,53,54,55)
+CH$LINK: PUBCHEM CID:146684844
+CH$LINK: INCHIKEY VYXPXPDSGOMRCH-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 108-1090
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.873 min
+MS$FOCUSED_ION: BASE_PEAK 1047.5538
+MS$FOCUSED_ION: PRECURSOR_M/Z 1047.5521
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0409-0900000000-179c1c49c8380feaa290
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  109.0407 C5H5N2O- 1 109.0407 -0.03
+  110.0123 C4H2N2O2- 1 110.0122 1.2
+  110.0248 C5H4NO2- 1 110.0248 0.35
+  110.0612 C6H8NO- 1 110.0611 0.48
+  111.0199 C4H3N2O2- 1 111.02 -0.82
+  112.0278 C4H4N2O2- 1 112.0278 -0.55
+  113.0358 C4H5N2O2- 1 113.0357 1.59
+  113.072 C5H9N2O- 1 113.072 -0.57
+  116.0505 C8H6N- 1 116.0506 -0.5
+  116.0716 C5H10NO2- 1 116.0717 -0.46
+  117.0346 C8H5O- 1 117.0346 -0.16
+  118.0424 C8H6O- 1 118.0424 -0.54
+  118.066 C8H8N- 1 118.0662 -1.56
+  119.0502 C8H7O- 1 119.0502 -0.07
+  120.0454 C7H6NO- 1 120.0455 -1.02
+  121.0411 C6H5N2O- 1 121.0407 3.01
+  123.0326 C6H5NO2- 1 123.0326 -0.09
+  123.0453 C7H7O2- 1 123.0452 1.19
+  123.056 C6H7N2O- 1 123.0564 -2.81
+  124.0404 C6H6NO2- 1 124.0404 -0.04
+  125.0355 C5H5N2O2- 1 125.0357 -1.08
+  127.0514 C5H7N2O2- 1 127.0513 0.84
+  127.0878 C6H11N2O- 1 127.0877 1.25
+  130.0985 C5H12N3O- 1 130.0986 -0.88
+  131.0825 C5H11N2O2- 1 131.0826 -0.49
+  133.0408 C7H5N2O- 1 133.0407 0.53
+  135.0561 C7H7N2O- 1 135.0564 -1.94
+  136.0403 C7H6NO2- 1 136.0404 -1.05
+  137.0356 C6H5N2O2- 1 137.0357 -0.19
+  137.0721 C7H9N2O- 1 137.072 0.19
+  138.0433 C6H6N2O2- 1 138.0435 -1.49
+  138.0554 C7H8NO2- 2 138.0561 -4.94
+  139.0511 C6H7N2O2- 1 139.0513 -1.78
+  139.0877 C7H11N2O- 1 139.0877 0.13
+  140.0827 C6H10N3O- 1 140.0829 -1.56
+  141.1035 C7H13N2O- 1 141.1033 1.5
+  142.1234 C8H16NO- 1 142.1237 -2.36
+  144.114 C6H14N3O- 1 144.1142 -1.98
+  145.0295 C9H5O2- 1 145.0295 -0.04
+  146.0613 C9H8NO- 1 146.0611 0.89
+  152.083 C7H10N3O- 1 152.0829 0.69
+  153.0307 C6H5N2O3- 1 153.0306 0.82
+  153.0667 C7H9N2O2- 1 153.067 -1.43
+  156.0775 C6H10N3O2- 1 156.0779 -2.26
+  160.0763 C10H10NO- 1 160.0768 -2.81
+  169.1087 C7H13N4O- 3 169.1095 -4.86
+  170.0931 C7H12N3O2- 1 170.0935 -2.24
+  187.1193 C6H19O6- 3 187.1187 3.15
+PK$NUM_PEAK: 48
+PK$PEAK: m/z int. rel.int.
+  109.0407 163750.7 120
+  110.0123 254253.9 187
+  110.0248 386381.1 285
+  110.0612 47811.1 35
+  111.0199 213036.4 157
+  112.0278 410132.4 302
+  113.0358 212219 156
+  113.072 118930.3 87
+  116.0505 175344.7 129
+  116.0716 978913.3 722
+  117.0346 159669.8 117
+  118.0424 69279.3 51
+  118.066 136219.2 100
+  119.0502 123921.7 91
+  120.0454 58025.6 42
+  121.0411 48492.5 35
+  123.0326 60091.1 44
+  123.0453 23702.4 17
+  123.056 155648 114
+  124.0404 91906.9 67
+  125.0355 1353730.8 999
+  127.0514 43905.1 32
+  127.0878 53458.3 39
+  130.0985 194076.7 143
+  131.0825 31768.2 23
+  133.0408 73336.5 54
+  135.0561 365279.6 269
+  136.0403 135520.5 100
+  137.0356 141718.3 104
+  137.0721 47782 35
+  138.0433 63458.8 46
+  138.0554 32961 24
+  139.0511 60407.2 44
+  139.0877 40558.4 29
+  140.0827 98937 73
+  141.1035 61368.1 45
+  142.1234 141621.3 104
+  144.114 59826.2 44
+  145.0295 50575 37
+  146.0613 37620.1 27
+  152.083 141823.6 104
+  153.0307 37879.3 27
+  153.0667 50447 37
+  156.0775 230243.9 169
+  160.0763 338599.2 249
+  169.1087 204725.8 151
+  170.0931 257449.2 189
+  187.1193 433204.9 319
+//
diff --git a/Eawag/MSBNK-EAWAG-ED050901.txt b/Eawag/MSBNK-EAWAG-ED050901.txt
new file mode 100644
index 0000000000..24369c7d5d
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED050901.txt
@@ -0,0 +1,47 @@
+ACCESSION: MSBNK-EAWAG-ED050901
+RECORD_TITLE: Micropeptin HH992 (and isomers); LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 3
+COMMENT: CyanoMetDB_ID 509
+CH$NAME: Micropeptin HH992 (and isomers)
+CH$NAME: (R)-N1-((3S,6S,9S,12S,13S,16S,19R,21aS)-6-benzyl-3,16-diisobutyl-9-isopropyl-19-methoxy-5,12-dimethyl-1,4,7,10,14,17-hexaoxoicosahydropyrrolo[2,1-l][1]oxa[4,7,10,13,16]pentaazacyclononadecin-13-yl)-2-((S)-2-hydroxy-3-(4-hydroxyphenyl)propanamido)succinamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C50H72N8O13
+CH$EXACT_MASS: 992.5218844
+CH$SMILES: O[C@H](C(N[C@@H](C(N[C@@H]1C(N[C@H](C(N2[C@@H](CC[C@H]2C(N[C@H](C(N([C@H](C(N[C@H](C(O[C@H]1C)=O)C(C)C)=O)CC3=CC=CC=C3)C)=O)CC(C)C)=O)OC)=O)CC(C)C)=O)=O)CC(N)=O)=O)CC4=CC=C(C=C4)O
+CH$IUPAC: InChI=1S/C50H72N8O13/c1-26(2)21-34-48(67)57(8)37(23-30-13-11-10-12-14-30)45(64)55-41(28(5)6)50(69)71-29(7)42(47(66)54-35(22-27(3)4)49(68)58-36(44(63)53-34)19-20-40(58)70-9)56-43(62)33(25-39(51)61)52-46(65)38(60)24-31-15-17-32(59)18-16-31/h10-18,26-29,33-38,40-42,59-60H,19-25H2,1-9H3,(H2,51,61)(H,52,65)(H,53,63)(H,54,66)(H,55,64)(H,56,62)/t29-,33+,34-,35-,36-,37-,38-,40+,41-,42-/m0/s1
+CH$LINK: PUBCHEM CID:71725295
+CH$LINK: INCHIKEY ZXKMRIUULRZARB-IHDOGMILSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 103-1034
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.570 min
+MS$FOCUSED_ION: BASE_PEAK 502.2657
+MS$FOCUSED_ION: PRECURSOR_M/Z 993.5292
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-004i-0000000009-fa41890d7f81b535846e
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  420.1917 C10H28N8O10+ 7 420.1923 -1.45
+  975.5174 C50H71N8O12+ 1 975.5186 -1.22
+  993.5297 C50H73N8O13+ 1 993.5292 0.52
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  420.1917 22370 13
+  975.5174 1612377.6 999
+  993.5297 393938.6 244
+//
diff --git a/Eawag/MSBNK-EAWAG-ED050902.txt b/Eawag/MSBNK-EAWAG-ED050902.txt
new file mode 100644
index 0000000000..2b9f9e705b
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED050902.txt
@@ -0,0 +1,49 @@
+ACCESSION: MSBNK-EAWAG-ED050902
+RECORD_TITLE: Micropeptin HH992 (and isomers); LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 3
+COMMENT: CyanoMetDB_ID 509
+CH$NAME: Micropeptin HH992 (and isomers)
+CH$NAME: (R)-N1-((3S,6S,9S,12S,13S,16S,19R,21aS)-6-benzyl-3,16-diisobutyl-9-isopropyl-19-methoxy-5,12-dimethyl-1,4,7,10,14,17-hexaoxoicosahydropyrrolo[2,1-l][1]oxa[4,7,10,13,16]pentaazacyclononadecin-13-yl)-2-((S)-2-hydroxy-3-(4-hydroxyphenyl)propanamido)succinamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C50H72N8O13
+CH$EXACT_MASS: 992.5218844
+CH$SMILES: O[C@H](C(N[C@@H](C(N[C@@H]1C(N[C@H](C(N2[C@@H](CC[C@H]2C(N[C@H](C(N([C@H](C(N[C@H](C(O[C@H]1C)=O)C(C)C)=O)CC3=CC=CC=C3)C)=O)CC(C)C)=O)OC)=O)CC(C)C)=O)=O)CC(N)=O)=O)CC4=CC=C(C=C4)O
+CH$IUPAC: InChI=1S/C50H72N8O13/c1-26(2)21-34-48(67)57(8)37(23-30-13-11-10-12-14-30)45(64)55-41(28(5)6)50(69)71-29(7)42(47(66)54-35(22-27(3)4)49(68)58-36(44(63)53-34)19-20-40(58)70-9)56-43(62)33(25-39(51)61)52-46(65)38(60)24-31-15-17-32(59)18-16-31/h10-18,26-29,33-38,40-42,59-60H,19-25H2,1-9H3,(H2,51,61)(H,52,65)(H,53,63)(H,54,66)(H,55,64)(H,56,62)/t29-,33+,34-,35-,36-,37-,38-,40+,41-,42-/m0/s1
+CH$LINK: PUBCHEM CID:71725295
+CH$LINK: INCHIKEY ZXKMRIUULRZARB-IHDOGMILSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 103-1034
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.570 min
+MS$FOCUSED_ION: BASE_PEAK 502.2657
+MS$FOCUSED_ION: PRECURSOR_M/Z 993.5292
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-004i-0000100009-d72fb4a3980df24030f3
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  243.1115 C12H13N5O+ 1 243.1115 0.06
+  420.1909 C10H28N8O10+ 5 420.1923 -3.34
+  975.5178 C50H71N8O12+ 1 975.5186 -0.85
+  993.5311 C50H73N8O13+ 1 993.5292 2
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  243.1115 16816.6 12
+  420.1909 240515.1 183
+  975.5178 1308215.4 999
+  993.5311 85460.6 65
+//
diff --git a/Eawag/MSBNK-EAWAG-ED050903.txt b/Eawag/MSBNK-EAWAG-ED050903.txt
new file mode 100644
index 0000000000..f1b10adce9
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED050903.txt
@@ -0,0 +1,57 @@
+ACCESSION: MSBNK-EAWAG-ED050903
+RECORD_TITLE: Micropeptin HH992 (and isomers); LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 3
+COMMENT: CyanoMetDB_ID 509
+CH$NAME: Micropeptin HH992 (and isomers)
+CH$NAME: (R)-N1-((3S,6S,9S,12S,13S,16S,19R,21aS)-6-benzyl-3,16-diisobutyl-9-isopropyl-19-methoxy-5,12-dimethyl-1,4,7,10,14,17-hexaoxoicosahydropyrrolo[2,1-l][1]oxa[4,7,10,13,16]pentaazacyclononadecin-13-yl)-2-((S)-2-hydroxy-3-(4-hydroxyphenyl)propanamido)succinamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C50H72N8O13
+CH$EXACT_MASS: 992.5218844
+CH$SMILES: O[C@H](C(N[C@@H](C(N[C@@H]1C(N[C@H](C(N2[C@@H](CC[C@H]2C(N[C@H](C(N([C@H](C(N[C@H](C(O[C@H]1C)=O)C(C)C)=O)CC3=CC=CC=C3)C)=O)CC(C)C)=O)OC)=O)CC(C)C)=O)=O)CC(N)=O)=O)CC4=CC=C(C=C4)O
+CH$IUPAC: InChI=1S/C50H72N8O13/c1-26(2)21-34-48(67)57(8)37(23-30-13-11-10-12-14-30)45(64)55-41(28(5)6)50(69)71-29(7)42(47(66)54-35(22-27(3)4)49(68)58-36(44(63)53-34)19-20-40(58)70-9)56-43(62)33(25-39(51)61)52-46(65)38(60)24-31-15-17-32(59)18-16-31/h10-18,26-29,33-38,40-42,59-60H,19-25H2,1-9H3,(H2,51,61)(H,52,65)(H,53,63)(H,54,66)(H,55,64)(H,56,62)/t29-,33+,34-,35-,36-,37-,38-,40+,41-,42-/m0/s1
+CH$LINK: PUBCHEM CID:71725295
+CH$LINK: INCHIKEY ZXKMRIUULRZARB-IHDOGMILSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 103-1034
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.570 min
+MS$FOCUSED_ION: BASE_PEAK 502.2657
+MS$FOCUSED_ION: PRECURSOR_M/Z 993.5292
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00fr-0230900008-a53ff9a0255dea7a1c62
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  120.0811 C8H10N+ 1 120.0808 2.31
+  150.0913 C9H12NO+ 1 150.0913 -0.44
+  215.117 C13H15N2O+ 2 215.1179 -3.99
+  243.1121 C12H13N5O+ 2 243.1115 2.57
+  420.1912 C10H28N8O10+ 6 420.1923 -2.54
+  730.3928 C36H54N6O10+ 8 730.3896 4.45
+  975.5183 C50H71N8O12+ 1 975.5186 -0.35
+  993.5329 C50H73N8O13+ 1 993.5292 3.78
+PK$NUM_PEAK: 8
+PK$PEAK: m/z int. rel.int.
+  120.0811 13229.9 26
+  150.0913 114255.4 232
+  215.117 39482.7 80
+  243.1121 148588.3 302
+  420.1912 490505.6 999
+  730.3928 36707.2 74
+  975.5183 403352.2 821
+  993.5329 37245.5 75
+//
diff --git a/Eawag/MSBNK-EAWAG-ED050904.txt b/Eawag/MSBNK-EAWAG-ED050904.txt
new file mode 100644
index 0000000000..2f7f460b86
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED050904.txt
@@ -0,0 +1,57 @@
+ACCESSION: MSBNK-EAWAG-ED050904
+RECORD_TITLE: Micropeptin HH992 (and isomers); LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 3
+COMMENT: CyanoMetDB_ID 509
+CH$NAME: Micropeptin HH992 (and isomers)
+CH$NAME: (R)-N1-((3S,6S,9S,12S,13S,16S,19R,21aS)-6-benzyl-3,16-diisobutyl-9-isopropyl-19-methoxy-5,12-dimethyl-1,4,7,10,14,17-hexaoxoicosahydropyrrolo[2,1-l][1]oxa[4,7,10,13,16]pentaazacyclononadecin-13-yl)-2-((S)-2-hydroxy-3-(4-hydroxyphenyl)propanamido)succinamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C50H72N8O13
+CH$EXACT_MASS: 992.5218844
+CH$SMILES: O[C@H](C(N[C@@H](C(N[C@@H]1C(N[C@H](C(N2[C@@H](CC[C@H]2C(N[C@H](C(N([C@H](C(N[C@H](C(O[C@H]1C)=O)C(C)C)=O)CC3=CC=CC=C3)C)=O)CC(C)C)=O)OC)=O)CC(C)C)=O)=O)CC(N)=O)=O)CC4=CC=C(C=C4)O
+CH$IUPAC: InChI=1S/C50H72N8O13/c1-26(2)21-34-48(67)57(8)37(23-30-13-11-10-12-14-30)45(64)55-41(28(5)6)50(69)71-29(7)42(47(66)54-35(22-27(3)4)49(68)58-36(44(63)53-34)19-20-40(58)70-9)56-43(62)33(25-39(51)61)52-46(65)38(60)24-31-15-17-32(59)18-16-31/h10-18,26-29,33-38,40-42,59-60H,19-25H2,1-9H3,(H2,51,61)(H,52,65)(H,53,63)(H,54,66)(H,55,64)(H,56,62)/t29-,33+,34-,35-,36-,37-,38-,40+,41-,42-/m0/s1
+CH$LINK: PUBCHEM CID:71725295
+CH$LINK: INCHIKEY ZXKMRIUULRZARB-IHDOGMILSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 103-1034
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.570 min
+MS$FOCUSED_ION: BASE_PEAK 502.2657
+MS$FOCUSED_ION: PRECURSOR_M/Z 993.5292
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0fkc-0790500001-faee4f3fbf4dd5f28414
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  120.0807 C8H10N+ 1 120.0808 -0.23
+  129.1023 C6H13N2O+ 1 129.1022 0.28
+  150.0912 C9H12NO+ 1 150.0913 -1.05
+  212.1387 C8H16N6O+ 2 212.138 3.14
+  215.1173 C13H15N2O+ 3 215.1179 -2.58
+  243.1122 C12H13N5O+ 4 243.1115 3.01
+  420.1915 C10H28N8O10+ 6 420.1923 -1.81
+  975.5196 C50H71N8O12+ 1 975.5186 1.03
+PK$NUM_PEAK: 8
+PK$PEAK: m/z int. rel.int.
+  120.0807 42382.2 171
+  129.1023 14815.5 60
+  150.0912 235633.4 955
+  212.1387 12672.8 51
+  215.1173 109628 444
+  243.1122 246472.2 999
+  420.1915 228627 926
+  975.5196 51905.8 210
+//
diff --git a/Eawag/MSBNK-EAWAG-ED050905.txt b/Eawag/MSBNK-EAWAG-ED050905.txt
new file mode 100644
index 0000000000..51457d4727
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED050905.txt
@@ -0,0 +1,57 @@
+ACCESSION: MSBNK-EAWAG-ED050905
+RECORD_TITLE: Micropeptin HH992 (and isomers); LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 3
+COMMENT: CyanoMetDB_ID 509
+CH$NAME: Micropeptin HH992 (and isomers)
+CH$NAME: (R)-N1-((3S,6S,9S,12S,13S,16S,19R,21aS)-6-benzyl-3,16-diisobutyl-9-isopropyl-19-methoxy-5,12-dimethyl-1,4,7,10,14,17-hexaoxoicosahydropyrrolo[2,1-l][1]oxa[4,7,10,13,16]pentaazacyclononadecin-13-yl)-2-((S)-2-hydroxy-3-(4-hydroxyphenyl)propanamido)succinamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C50H72N8O13
+CH$EXACT_MASS: 992.5218844
+CH$SMILES: O[C@H](C(N[C@@H](C(N[C@@H]1C(N[C@H](C(N2[C@@H](CC[C@H]2C(N[C@H](C(N([C@H](C(N[C@H](C(O[C@H]1C)=O)C(C)C)=O)CC3=CC=CC=C3)C)=O)CC(C)C)=O)OC)=O)CC(C)C)=O)=O)CC(N)=O)=O)CC4=CC=C(C=C4)O
+CH$IUPAC: InChI=1S/C50H72N8O13/c1-26(2)21-34-48(67)57(8)37(23-30-13-11-10-12-14-30)45(64)55-41(28(5)6)50(69)71-29(7)42(47(66)54-35(22-27(3)4)49(68)58-36(44(63)53-34)19-20-40(58)70-9)56-43(62)33(25-39(51)61)52-46(65)38(60)24-31-15-17-32(59)18-16-31/h10-18,26-29,33-38,40-42,59-60H,19-25H2,1-9H3,(H2,51,61)(H,52,65)(H,53,63)(H,54,66)(H,55,64)(H,56,62)/t29-,33+,34-,35-,36-,37-,38-,40+,41-,42-/m0/s1
+CH$LINK: PUBCHEM CID:71725295
+CH$LINK: INCHIKEY ZXKMRIUULRZARB-IHDOGMILSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 103-1034
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.570 min
+MS$FOCUSED_ION: BASE_PEAK 502.2657
+MS$FOCUSED_ION: PRECURSOR_M/Z 993.5292
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0v4i-0940000000-45acc6a7d8cf655eea2e
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  120.0806 C8H10N+ 1 120.0808 -1.57
+  129.1025 C6H13N2O+ 1 129.1022 1.94
+  150.0911 C9H12NO+ 1 150.0913 -1.46
+  158.0961 C11H12N+ 1 158.0964 -2.07
+  187.1231 C12H15N2+ 1 187.123 0.93
+  215.1174 C13H15N2O+ 3 215.1179 -2.5
+  243.1115 C12H13N5O+ 1 243.1115 0.31
+  420.1941 C10H28N8O10+ 7 420.1923 4.29
+PK$NUM_PEAK: 8
+PK$PEAK: m/z int. rel.int.
+  120.0806 172249.2 567
+  129.1025 29837.8 98
+  150.0911 303451.6 999
+  158.0961 34701.7 114
+  187.1231 75405.8 248
+  215.1174 162791.9 535
+  243.1115 119527.8 393
+  420.1941 8305.2 27
+//
diff --git a/Eawag/MSBNK-EAWAG-ED050906.txt b/Eawag/MSBNK-EAWAG-ED050906.txt
new file mode 100644
index 0000000000..bce9cb8fb0
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED050906.txt
@@ -0,0 +1,57 @@
+ACCESSION: MSBNK-EAWAG-ED050906
+RECORD_TITLE: Micropeptin HH992 (and isomers); LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 3
+COMMENT: CyanoMetDB_ID 509
+CH$NAME: Micropeptin HH992 (and isomers)
+CH$NAME: (R)-N1-((3S,6S,9S,12S,13S,16S,19R,21aS)-6-benzyl-3,16-diisobutyl-9-isopropyl-19-methoxy-5,12-dimethyl-1,4,7,10,14,17-hexaoxoicosahydropyrrolo[2,1-l][1]oxa[4,7,10,13,16]pentaazacyclononadecin-13-yl)-2-((S)-2-hydroxy-3-(4-hydroxyphenyl)propanamido)succinamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C50H72N8O13
+CH$EXACT_MASS: 992.5218844
+CH$SMILES: O[C@H](C(N[C@@H](C(N[C@@H]1C(N[C@H](C(N2[C@@H](CC[C@H]2C(N[C@H](C(N([C@H](C(N[C@H](C(O[C@H]1C)=O)C(C)C)=O)CC3=CC=CC=C3)C)=O)CC(C)C)=O)OC)=O)CC(C)C)=O)=O)CC(N)=O)=O)CC4=CC=C(C=C4)O
+CH$IUPAC: InChI=1S/C50H72N8O13/c1-26(2)21-34-48(67)57(8)37(23-30-13-11-10-12-14-30)45(64)55-41(28(5)6)50(69)71-29(7)42(47(66)54-35(22-27(3)4)49(68)58-36(44(63)53-34)19-20-40(58)70-9)56-43(62)33(25-39(51)61)52-46(65)38(60)24-31-15-17-32(59)18-16-31/h10-18,26-29,33-38,40-42,59-60H,19-25H2,1-9H3,(H2,51,61)(H,52,65)(H,53,63)(H,54,66)(H,55,64)(H,56,62)/t29-,33+,34-,35-,36-,37-,38-,40+,41-,42-/m0/s1
+CH$LINK: PUBCHEM CID:71725295
+CH$LINK: INCHIKEY ZXKMRIUULRZARB-IHDOGMILSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 103-1034
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.570 min
+MS$FOCUSED_ION: BASE_PEAK 502.2657
+MS$FOCUSED_ION: PRECURSOR_M/Z 993.5292
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0fk9-0910000000-b2fb17ad8d2ae2750e19
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  120.0806 C8H10N+ 1 120.0808 -1.25
+  129.1024 C6H13N2O+ 1 129.1022 0.99
+  150.0911 C9H12NO+ 1 150.0913 -1.87
+  158.0961 C11H12N+ 1 158.0964 -1.88
+  170.0963 C12H12N+ 1 170.0964 -0.56
+  187.1222 C12H15N2+ 1 187.123 -4.29
+  215.1173 C13H15N2O+ 3 215.1179 -2.58
+  243.1124 C12H13N5O+ 4 243.1115 3.89
+PK$NUM_PEAK: 8
+PK$PEAK: m/z int. rel.int.
+  120.0806 263451.9 999
+  129.1024 43145.1 163
+  150.0911 261575.7 991
+  158.0961 67806.1 257
+  170.0963 23353.1 88
+  187.1222 59679.6 226
+  215.1173 85017.4 322
+  243.1124 15863.8 60
+//
diff --git a/Eawag/MSBNK-EAWAG-ED050907.txt b/Eawag/MSBNK-EAWAG-ED050907.txt
new file mode 100644
index 0000000000..38a4a21a6b
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED050907.txt
@@ -0,0 +1,55 @@
+ACCESSION: MSBNK-EAWAG-ED050907
+RECORD_TITLE: Micropeptin HH992 (and isomers); LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 3
+COMMENT: CyanoMetDB_ID 509
+CH$NAME: Micropeptin HH992 (and isomers)
+CH$NAME: (R)-N1-((3S,6S,9S,12S,13S,16S,19R,21aS)-6-benzyl-3,16-diisobutyl-9-isopropyl-19-methoxy-5,12-dimethyl-1,4,7,10,14,17-hexaoxoicosahydropyrrolo[2,1-l][1]oxa[4,7,10,13,16]pentaazacyclononadecin-13-yl)-2-((S)-2-hydroxy-3-(4-hydroxyphenyl)propanamido)succinamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C50H72N8O13
+CH$EXACT_MASS: 992.5218844
+CH$SMILES: O[C@H](C(N[C@@H](C(N[C@@H]1C(N[C@H](C(N2[C@@H](CC[C@H]2C(N[C@H](C(N([C@H](C(N[C@H](C(O[C@H]1C)=O)C(C)C)=O)CC3=CC=CC=C3)C)=O)CC(C)C)=O)OC)=O)CC(C)C)=O)=O)CC(N)=O)=O)CC4=CC=C(C=C4)O
+CH$IUPAC: InChI=1S/C50H72N8O13/c1-26(2)21-34-48(67)57(8)37(23-30-13-11-10-12-14-30)45(64)55-41(28(5)6)50(69)71-29(7)42(47(66)54-35(22-27(3)4)49(68)58-36(44(63)53-34)19-20-40(58)70-9)56-43(62)33(25-39(51)61)52-46(65)38(60)24-31-15-17-32(59)18-16-31/h10-18,26-29,33-38,40-42,59-60H,19-25H2,1-9H3,(H2,51,61)(H,52,65)(H,53,63)(H,54,66)(H,55,64)(H,56,62)/t29-,33+,34-,35-,36-,37-,38-,40+,41-,42-/m0/s1
+CH$LINK: PUBCHEM CID:71725295
+CH$LINK: INCHIKEY ZXKMRIUULRZARB-IHDOGMILSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 103-1034
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.570 min
+MS$FOCUSED_ION: BASE_PEAK 502.2657
+MS$FOCUSED_ION: PRECURSOR_M/Z 993.5292
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0fk9-0900000000-fa438cea4ab0e5808465
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  120.0807 C8H10N+ 1 120.0808 -0.81
+  129.1026 C6H13N2O+ 1 129.1022 2.65
+  150.0912 C9H12NO+ 1 150.0913 -0.95
+  158.0966 C11H12N+ 1 158.0964 1.31
+  170.0959 C12H12N+ 1 170.0964 -2.99
+  187.123 C12H15N2+ 1 187.123 0.11
+  215.1174 C13H15N2O+ 3 215.1179 -2.29
+PK$NUM_PEAK: 7
+PK$PEAK: m/z int. rel.int.
+  120.0807 258517.8 999
+  129.1026 24215.5 93
+  150.0912 220095.8 850
+  158.0966 67312.3 260
+  170.0959 43225.3 167
+  187.123 21086.6 81
+  215.1174 20990.1 81
+//
diff --git a/Eawag/MSBNK-EAWAG-ED051001.txt b/Eawag/MSBNK-EAWAG-ED051001.txt
new file mode 100644
index 0000000000..f77e5e33e3
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED051001.txt
@@ -0,0 +1,47 @@
+ACCESSION: MSBNK-EAWAG-ED051001
+RECORD_TITLE: Micropeptin KB992 (and isomers); LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 3
+COMMENT: CyanoMetDB_ID 510
+CH$NAME: Micropeptin KB992 (and isomers)
+CH$NAME: (2R)-N1-((1S,2S,5S,8S,11S,12S,15S,18S,21R)-5-benzyl-2-((S)-sec-butyl)-15-isobutyl-8-isopropyl-21-methoxy-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)-2-(2-hydroxy-3-(4-hydroxyphenyl)propanamido)succinamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C50H72N8O13
+CH$EXACT_MASS: 992.5218844
+CH$SMILES: O=C([C@@H](NC([C@H](NC(C(O)CC1=CC=C(O)C=C1)=O)CC(N)=O)=O)[C@H](C)OC2=O)N[C@H](C(N[C@@H]3C([N@]([C@@H](CC3)OC)[C@@H]([C@H](CC)C)C(N(C)[C@@H](CC4=CC=CC=C4)C(N[C@H]2C(C)C)=O)=O)=O)=O)CC(C)C
+CH$IUPAC: InChI=1S/C50H72N8O13/c1-10-28(6)42-49(68)57(8)36(23-30-14-12-11-13-15-30)45(64)55-40(27(4)5)50(69)71-29(7)41(47(66)54-34(22-26(2)3)43(62)52-33-20-21-39(70-9)58(42)48(33)67)56-44(63)35(25-38(51)61)53-46(65)37(60)24-31-16-18-32(59)19-17-31/h11-19,26-29,33-37,39-42,59-60H,10,20-25H2,1-9H3,(H2,51,61)(H,52,62)(H,53,65)(H,54,66)(H,55,64)(H,56,63)/t28-,29-,33-,34-,35+,36-,37?,39+,40-,41-,42-/m0/s1
+CH$LINK: PUBCHEM CID:146683761
+CH$LINK: INCHIKEY LEMGGXYDKCZIKV-JQIPHXISSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 103-1034
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.570 min
+MS$FOCUSED_ION: BASE_PEAK 502.2657
+MS$FOCUSED_ION: PRECURSOR_M/Z 993.5292
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-004i-0000000009-fa41890d7f81b535846e
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  420.1917 C10H28N8O10+ 7 420.1923 -1.45
+  975.5174 C50H71N8O12+ 1 975.5186 -1.22
+  993.5297 C50H73N8O13+ 1 993.5292 0.52
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  420.1917 22370 13
+  975.5174 1612377.6 999
+  993.5297 393938.6 244
+//
diff --git a/Eawag/MSBNK-EAWAG-ED051002.txt b/Eawag/MSBNK-EAWAG-ED051002.txt
new file mode 100644
index 0000000000..e7304a0014
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED051002.txt
@@ -0,0 +1,49 @@
+ACCESSION: MSBNK-EAWAG-ED051002
+RECORD_TITLE: Micropeptin KB992 (and isomers); LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 3
+COMMENT: CyanoMetDB_ID 510
+CH$NAME: Micropeptin KB992 (and isomers)
+CH$NAME: (2R)-N1-((1S,2S,5S,8S,11S,12S,15S,18S,21R)-5-benzyl-2-((S)-sec-butyl)-15-isobutyl-8-isopropyl-21-methoxy-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)-2-(2-hydroxy-3-(4-hydroxyphenyl)propanamido)succinamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C50H72N8O13
+CH$EXACT_MASS: 992.5218844
+CH$SMILES: O=C([C@@H](NC([C@H](NC(C(O)CC1=CC=C(O)C=C1)=O)CC(N)=O)=O)[C@H](C)OC2=O)N[C@H](C(N[C@@H]3C([N@]([C@@H](CC3)OC)[C@@H]([C@H](CC)C)C(N(C)[C@@H](CC4=CC=CC=C4)C(N[C@H]2C(C)C)=O)=O)=O)=O)CC(C)C
+CH$IUPAC: InChI=1S/C50H72N8O13/c1-10-28(6)42-49(68)57(8)36(23-30-14-12-11-13-15-30)45(64)55-40(27(4)5)50(69)71-29(7)41(47(66)54-34(22-26(2)3)43(62)52-33-20-21-39(70-9)58(42)48(33)67)56-44(63)35(25-38(51)61)53-46(65)37(60)24-31-16-18-32(59)19-17-31/h11-19,26-29,33-37,39-42,59-60H,10,20-25H2,1-9H3,(H2,51,61)(H,52,62)(H,53,65)(H,54,66)(H,55,64)(H,56,63)/t28-,29-,33-,34-,35+,36-,37?,39+,40-,41-,42-/m0/s1
+CH$LINK: PUBCHEM CID:146683761
+CH$LINK: INCHIKEY LEMGGXYDKCZIKV-JQIPHXISSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 103-1034
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.570 min
+MS$FOCUSED_ION: BASE_PEAK 502.2657
+MS$FOCUSED_ION: PRECURSOR_M/Z 993.5292
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-004i-0000100009-d72fb4a3980df24030f3
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  243.1115 C12H13N5O+ 1 243.1115 0.06
+  420.1909 C10H28N8O10+ 5 420.1923 -3.34
+  975.5178 C50H71N8O12+ 1 975.5186 -0.85
+  993.5311 C50H73N8O13+ 1 993.5292 2
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  243.1115 16816.6 12
+  420.1909 240515.1 183
+  975.5178 1308215.4 999
+  993.5311 85460.6 65
+//
diff --git a/Eawag/MSBNK-EAWAG-ED051003.txt b/Eawag/MSBNK-EAWAG-ED051003.txt
new file mode 100644
index 0000000000..188a07397f
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED051003.txt
@@ -0,0 +1,57 @@
+ACCESSION: MSBNK-EAWAG-ED051003
+RECORD_TITLE: Micropeptin KB992 (and isomers); LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 3
+COMMENT: CyanoMetDB_ID 510
+CH$NAME: Micropeptin KB992 (and isomers)
+CH$NAME: (2R)-N1-((1S,2S,5S,8S,11S,12S,15S,18S,21R)-5-benzyl-2-((S)-sec-butyl)-15-isobutyl-8-isopropyl-21-methoxy-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)-2-(2-hydroxy-3-(4-hydroxyphenyl)propanamido)succinamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C50H72N8O13
+CH$EXACT_MASS: 992.5218844
+CH$SMILES: O=C([C@@H](NC([C@H](NC(C(O)CC1=CC=C(O)C=C1)=O)CC(N)=O)=O)[C@H](C)OC2=O)N[C@H](C(N[C@@H]3C([N@]([C@@H](CC3)OC)[C@@H]([C@H](CC)C)C(N(C)[C@@H](CC4=CC=CC=C4)C(N[C@H]2C(C)C)=O)=O)=O)=O)CC(C)C
+CH$IUPAC: InChI=1S/C50H72N8O13/c1-10-28(6)42-49(68)57(8)36(23-30-14-12-11-13-15-30)45(64)55-40(27(4)5)50(69)71-29(7)41(47(66)54-34(22-26(2)3)43(62)52-33-20-21-39(70-9)58(42)48(33)67)56-44(63)35(25-38(51)61)53-46(65)37(60)24-31-16-18-32(59)19-17-31/h11-19,26-29,33-37,39-42,59-60H,10,20-25H2,1-9H3,(H2,51,61)(H,52,62)(H,53,65)(H,54,66)(H,55,64)(H,56,63)/t28-,29-,33-,34-,35+,36-,37?,39+,40-,41-,42-/m0/s1
+CH$LINK: PUBCHEM CID:146683761
+CH$LINK: INCHIKEY LEMGGXYDKCZIKV-JQIPHXISSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 103-1034
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.570 min
+MS$FOCUSED_ION: BASE_PEAK 502.2657
+MS$FOCUSED_ION: PRECURSOR_M/Z 993.5292
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00fr-0230900008-a53ff9a0255dea7a1c62
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  120.0811 C8H10N+ 1 120.0808 2.31
+  150.0913 C9H12NO+ 1 150.0913 -0.44
+  215.117 C13H15N2O+ 2 215.1179 -3.99
+  243.1121 C12H13N5O+ 2 243.1115 2.57
+  420.1912 C10H28N8O10+ 6 420.1923 -2.54
+  730.3928 C36H54N6O10+ 8 730.3896 4.45
+  975.5183 C50H71N8O12+ 1 975.5186 -0.35
+  993.5329 C50H73N8O13+ 1 993.5292 3.78
+PK$NUM_PEAK: 8
+PK$PEAK: m/z int. rel.int.
+  120.0811 13229.9 26
+  150.0913 114255.4 232
+  215.117 39482.7 80
+  243.1121 148588.3 302
+  420.1912 490505.6 999
+  730.3928 36707.2 74
+  975.5183 403352.2 821
+  993.5329 37245.5 75
+//
diff --git a/Eawag/MSBNK-EAWAG-ED051004.txt b/Eawag/MSBNK-EAWAG-ED051004.txt
new file mode 100644
index 0000000000..2e9d4c8181
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED051004.txt
@@ -0,0 +1,57 @@
+ACCESSION: MSBNK-EAWAG-ED051004
+RECORD_TITLE: Micropeptin KB992 (and isomers); LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 3
+COMMENT: CyanoMetDB_ID 510
+CH$NAME: Micropeptin KB992 (and isomers)
+CH$NAME: (2R)-N1-((1S,2S,5S,8S,11S,12S,15S,18S,21R)-5-benzyl-2-((S)-sec-butyl)-15-isobutyl-8-isopropyl-21-methoxy-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)-2-(2-hydroxy-3-(4-hydroxyphenyl)propanamido)succinamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C50H72N8O13
+CH$EXACT_MASS: 992.5218844
+CH$SMILES: O=C([C@@H](NC([C@H](NC(C(O)CC1=CC=C(O)C=C1)=O)CC(N)=O)=O)[C@H](C)OC2=O)N[C@H](C(N[C@@H]3C([N@]([C@@H](CC3)OC)[C@@H]([C@H](CC)C)C(N(C)[C@@H](CC4=CC=CC=C4)C(N[C@H]2C(C)C)=O)=O)=O)=O)CC(C)C
+CH$IUPAC: InChI=1S/C50H72N8O13/c1-10-28(6)42-49(68)57(8)36(23-30-14-12-11-13-15-30)45(64)55-40(27(4)5)50(69)71-29(7)41(47(66)54-34(22-26(2)3)43(62)52-33-20-21-39(70-9)58(42)48(33)67)56-44(63)35(25-38(51)61)53-46(65)37(60)24-31-16-18-32(59)19-17-31/h11-19,26-29,33-37,39-42,59-60H,10,20-25H2,1-9H3,(H2,51,61)(H,52,62)(H,53,65)(H,54,66)(H,55,64)(H,56,63)/t28-,29-,33-,34-,35+,36-,37?,39+,40-,41-,42-/m0/s1
+CH$LINK: PUBCHEM CID:146683761
+CH$LINK: INCHIKEY LEMGGXYDKCZIKV-JQIPHXISSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 103-1034
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.570 min
+MS$FOCUSED_ION: BASE_PEAK 502.2657
+MS$FOCUSED_ION: PRECURSOR_M/Z 993.5292
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0fkc-0790500001-faee4f3fbf4dd5f28414
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  120.0807 C8H10N+ 1 120.0808 -0.23
+  129.1023 C6H13N2O+ 1 129.1022 0.28
+  150.0912 C9H12NO+ 1 150.0913 -1.05
+  212.1387 C8H16N6O+ 2 212.138 3.14
+  215.1173 C13H15N2O+ 3 215.1179 -2.58
+  243.1122 C12H13N5O+ 4 243.1115 3.01
+  420.1915 C10H28N8O10+ 6 420.1923 -1.81
+  975.5196 C50H71N8O12+ 1 975.5186 1.03
+PK$NUM_PEAK: 8
+PK$PEAK: m/z int. rel.int.
+  120.0807 42382.2 171
+  129.1023 14815.5 60
+  150.0912 235633.4 955
+  212.1387 12672.8 51
+  215.1173 109628 444
+  243.1122 246472.2 999
+  420.1915 228627 926
+  975.5196 51905.8 210
+//
diff --git a/Eawag/MSBNK-EAWAG-ED051005.txt b/Eawag/MSBNK-EAWAG-ED051005.txt
new file mode 100644
index 0000000000..da4933afb8
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED051005.txt
@@ -0,0 +1,57 @@
+ACCESSION: MSBNK-EAWAG-ED051005
+RECORD_TITLE: Micropeptin KB992 (and isomers); LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 3
+COMMENT: CyanoMetDB_ID 510
+CH$NAME: Micropeptin KB992 (and isomers)
+CH$NAME: (2R)-N1-((1S,2S,5S,8S,11S,12S,15S,18S,21R)-5-benzyl-2-((S)-sec-butyl)-15-isobutyl-8-isopropyl-21-methoxy-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)-2-(2-hydroxy-3-(4-hydroxyphenyl)propanamido)succinamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C50H72N8O13
+CH$EXACT_MASS: 992.5218844
+CH$SMILES: O=C([C@@H](NC([C@H](NC(C(O)CC1=CC=C(O)C=C1)=O)CC(N)=O)=O)[C@H](C)OC2=O)N[C@H](C(N[C@@H]3C([N@]([C@@H](CC3)OC)[C@@H]([C@H](CC)C)C(N(C)[C@@H](CC4=CC=CC=C4)C(N[C@H]2C(C)C)=O)=O)=O)=O)CC(C)C
+CH$IUPAC: InChI=1S/C50H72N8O13/c1-10-28(6)42-49(68)57(8)36(23-30-14-12-11-13-15-30)45(64)55-40(27(4)5)50(69)71-29(7)41(47(66)54-34(22-26(2)3)43(62)52-33-20-21-39(70-9)58(42)48(33)67)56-44(63)35(25-38(51)61)53-46(65)37(60)24-31-16-18-32(59)19-17-31/h11-19,26-29,33-37,39-42,59-60H,10,20-25H2,1-9H3,(H2,51,61)(H,52,62)(H,53,65)(H,54,66)(H,55,64)(H,56,63)/t28-,29-,33-,34-,35+,36-,37?,39+,40-,41-,42-/m0/s1
+CH$LINK: PUBCHEM CID:146683761
+CH$LINK: INCHIKEY LEMGGXYDKCZIKV-JQIPHXISSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 103-1034
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.570 min
+MS$FOCUSED_ION: BASE_PEAK 502.2657
+MS$FOCUSED_ION: PRECURSOR_M/Z 993.5292
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0v4i-0940000000-45acc6a7d8cf655eea2e
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  120.0806 C8H10N+ 1 120.0808 -1.57
+  129.1025 C6H13N2O+ 1 129.1022 1.94
+  150.0911 C9H12NO+ 1 150.0913 -1.46
+  158.0961 C11H12N+ 1 158.0964 -2.07
+  187.1231 C12H15N2+ 1 187.123 0.93
+  215.1174 C13H15N2O+ 3 215.1179 -2.5
+  243.1115 C12H13N5O+ 1 243.1115 0.31
+  420.1941 C10H28N8O10+ 7 420.1923 4.29
+PK$NUM_PEAK: 8
+PK$PEAK: m/z int. rel.int.
+  120.0806 172249.2 567
+  129.1025 29837.8 98
+  150.0911 303451.6 999
+  158.0961 34701.7 114
+  187.1231 75405.8 248
+  215.1174 162791.9 535
+  243.1115 119527.8 393
+  420.1941 8305.2 27
+//
diff --git a/Eawag/MSBNK-EAWAG-ED051006.txt b/Eawag/MSBNK-EAWAG-ED051006.txt
new file mode 100644
index 0000000000..1b4fe6b228
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED051006.txt
@@ -0,0 +1,57 @@
+ACCESSION: MSBNK-EAWAG-ED051006
+RECORD_TITLE: Micropeptin KB992 (and isomers); LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 3
+COMMENT: CyanoMetDB_ID 510
+CH$NAME: Micropeptin KB992 (and isomers)
+CH$NAME: (2R)-N1-((1S,2S,5S,8S,11S,12S,15S,18S,21R)-5-benzyl-2-((S)-sec-butyl)-15-isobutyl-8-isopropyl-21-methoxy-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)-2-(2-hydroxy-3-(4-hydroxyphenyl)propanamido)succinamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C50H72N8O13
+CH$EXACT_MASS: 992.5218844
+CH$SMILES: O=C([C@@H](NC([C@H](NC(C(O)CC1=CC=C(O)C=C1)=O)CC(N)=O)=O)[C@H](C)OC2=O)N[C@H](C(N[C@@H]3C([N@]([C@@H](CC3)OC)[C@@H]([C@H](CC)C)C(N(C)[C@@H](CC4=CC=CC=C4)C(N[C@H]2C(C)C)=O)=O)=O)=O)CC(C)C
+CH$IUPAC: InChI=1S/C50H72N8O13/c1-10-28(6)42-49(68)57(8)36(23-30-14-12-11-13-15-30)45(64)55-40(27(4)5)50(69)71-29(7)41(47(66)54-34(22-26(2)3)43(62)52-33-20-21-39(70-9)58(42)48(33)67)56-44(63)35(25-38(51)61)53-46(65)37(60)24-31-16-18-32(59)19-17-31/h11-19,26-29,33-37,39-42,59-60H,10,20-25H2,1-9H3,(H2,51,61)(H,52,62)(H,53,65)(H,54,66)(H,55,64)(H,56,63)/t28-,29-,33-,34-,35+,36-,37?,39+,40-,41-,42-/m0/s1
+CH$LINK: PUBCHEM CID:146683761
+CH$LINK: INCHIKEY LEMGGXYDKCZIKV-JQIPHXISSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 103-1034
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.570 min
+MS$FOCUSED_ION: BASE_PEAK 502.2657
+MS$FOCUSED_ION: PRECURSOR_M/Z 993.5292
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0fk9-0910000000-b2fb17ad8d2ae2750e19
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  120.0806 C8H10N+ 1 120.0808 -1.25
+  129.1024 C6H13N2O+ 1 129.1022 0.99
+  150.0911 C9H12NO+ 1 150.0913 -1.87
+  158.0961 C11H12N+ 1 158.0964 -1.88
+  170.0963 C12H12N+ 1 170.0964 -0.56
+  187.1222 C12H15N2+ 1 187.123 -4.29
+  215.1173 C13H15N2O+ 3 215.1179 -2.58
+  243.1124 C12H13N5O+ 4 243.1115 3.89
+PK$NUM_PEAK: 8
+PK$PEAK: m/z int. rel.int.
+  120.0806 263451.9 999
+  129.1024 43145.1 163
+  150.0911 261575.7 991
+  158.0961 67806.1 257
+  170.0963 23353.1 88
+  187.1222 59679.6 226
+  215.1173 85017.4 322
+  243.1124 15863.8 60
+//
diff --git a/Eawag/MSBNK-EAWAG-ED051007.txt b/Eawag/MSBNK-EAWAG-ED051007.txt
new file mode 100644
index 0000000000..e312654ffa
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED051007.txt
@@ -0,0 +1,55 @@
+ACCESSION: MSBNK-EAWAG-ED051007
+RECORD_TITLE: Micropeptin KB992 (and isomers); LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 3
+COMMENT: CyanoMetDB_ID 510
+CH$NAME: Micropeptin KB992 (and isomers)
+CH$NAME: (2R)-N1-((1S,2S,5S,8S,11S,12S,15S,18S,21R)-5-benzyl-2-((S)-sec-butyl)-15-isobutyl-8-isopropyl-21-methoxy-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)-2-(2-hydroxy-3-(4-hydroxyphenyl)propanamido)succinamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C50H72N8O13
+CH$EXACT_MASS: 992.5218844
+CH$SMILES: O=C([C@@H](NC([C@H](NC(C(O)CC1=CC=C(O)C=C1)=O)CC(N)=O)=O)[C@H](C)OC2=O)N[C@H](C(N[C@@H]3C([N@]([C@@H](CC3)OC)[C@@H]([C@H](CC)C)C(N(C)[C@@H](CC4=CC=CC=C4)C(N[C@H]2C(C)C)=O)=O)=O)=O)CC(C)C
+CH$IUPAC: InChI=1S/C50H72N8O13/c1-10-28(6)42-49(68)57(8)36(23-30-14-12-11-13-15-30)45(64)55-40(27(4)5)50(69)71-29(7)41(47(66)54-34(22-26(2)3)43(62)52-33-20-21-39(70-9)58(42)48(33)67)56-44(63)35(25-38(51)61)53-46(65)37(60)24-31-16-18-32(59)19-17-31/h11-19,26-29,33-37,39-42,59-60H,10,20-25H2,1-9H3,(H2,51,61)(H,52,62)(H,53,65)(H,54,66)(H,55,64)(H,56,63)/t28-,29-,33-,34-,35+,36-,37?,39+,40-,41-,42-/m0/s1
+CH$LINK: PUBCHEM CID:146683761
+CH$LINK: INCHIKEY LEMGGXYDKCZIKV-JQIPHXISSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 103-1034
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.570 min
+MS$FOCUSED_ION: BASE_PEAK 502.2657
+MS$FOCUSED_ION: PRECURSOR_M/Z 993.5292
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0fk9-0900000000-fa438cea4ab0e5808465
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  120.0807 C8H10N+ 1 120.0808 -0.81
+  129.1026 C6H13N2O+ 1 129.1022 2.65
+  150.0912 C9H12NO+ 1 150.0913 -0.95
+  158.0966 C11H12N+ 1 158.0964 1.31
+  170.0959 C12H12N+ 1 170.0964 -2.99
+  187.123 C12H15N2+ 1 187.123 0.11
+  215.1174 C13H15N2O+ 3 215.1179 -2.29
+PK$NUM_PEAK: 7
+PK$PEAK: m/z int. rel.int.
+  120.0807 258517.8 999
+  129.1026 24215.5 93
+  150.0912 220095.8 850
+  158.0966 67312.3 260
+  170.0959 43225.3 167
+  187.123 21086.6 81
+  215.1174 20990.1 81
+//
diff --git a/Eawag/MSBNK-EAWAG-ED051101.txt b/Eawag/MSBNK-EAWAG-ED051101.txt
new file mode 100644
index 0000000000..66cf70ead9
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED051101.txt
@@ -0,0 +1,48 @@
+ACCESSION: MSBNK-EAWAG-ED051101
+RECORD_TITLE: Loggerpeptin A (and isomers); LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 3
+COMMENT: CyanoMetDB_ID 511
+CH$NAME: Loggerpeptin A (and isomers)
+CH$NAME: (2R,3R)-N-((2R,5R,8R,11R,12R,15R,18R,21S)-2-benzyl-21-hydroxy-5-(4-hydroxybenzyl)-15-isobutyl-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)-2-((R)-2-butyramidopropanamido)-3-hydroxybutanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C50H72N8O13
+CH$EXACT_MASS: 992.5218844
+CH$SMILES: CCCC(=O)N[C@@H](C)C(=O)N[C@@H]([C@H](C)O)C(=O)N[C@H]1[C@H](OC(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](N2[C@@H](CC[C@@H](C2=O)NC(=O)[C@@H](NC1=O)CC(C)C)O)CC3=CC=CC=C3)C)CC4=CC=C(C=C4)O)C(C)C)C
+CH$IUPAC: InChI=1S/C50H72N8O13/c1-10-14-38(61)51-28(6)43(63)55-41(29(7)59)46(66)56-42-30(8)71-50(70)40(27(4)5)54-45(65)36(24-32-17-19-33(60)20-18-32)57(9)49(69)37(25-31-15-12-11-13-16-31)58-39(62)22-21-34(48(58)68)52-44(64)35(23-26(2)3)53-47(42)67/h11-13,15-20,26-30,34-37,39-42,59-60,62H,10,14,21-25H2,1-9H3,(H,51,61)(H,52,64)(H,53,67)(H,54,65)(H,55,63)(H,56,66)/t28-,29-,30+,34-,35-,36-,37-,39+,40-,41-,42-/m0/s1
+CH$LINK: PUBCHEM CID:146683895
+CH$LINK: INCHIKEY UAVAEWGJORGZNS-VURJKFNOSA-N
+CH$LINK: CHEMSPIDER 65321349
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 103-1034
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.570 min
+MS$FOCUSED_ION: BASE_PEAK 502.2657
+MS$FOCUSED_ION: PRECURSOR_M/Z 993.5292
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-004i-0000000009-fa41890d7f81b535846e
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  420.1917 C10H28N8O10+ 7 420.1923 -1.45
+  975.5174 C50H71N8O12+ 1 975.5186 -1.22
+  993.5297 C50H73N8O13+ 1 993.5292 0.52
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  420.1917 22370 13
+  975.5174 1612377.6 999
+  993.5297 393938.6 244
+//
diff --git a/Eawag/MSBNK-EAWAG-ED051102.txt b/Eawag/MSBNK-EAWAG-ED051102.txt
new file mode 100644
index 0000000000..dcd797fd8c
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED051102.txt
@@ -0,0 +1,50 @@
+ACCESSION: MSBNK-EAWAG-ED051102
+RECORD_TITLE: Loggerpeptin A (and isomers); LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 3
+COMMENT: CyanoMetDB_ID 511
+CH$NAME: Loggerpeptin A (and isomers)
+CH$NAME: (2R,3R)-N-((2R,5R,8R,11R,12R,15R,18R,21S)-2-benzyl-21-hydroxy-5-(4-hydroxybenzyl)-15-isobutyl-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)-2-((R)-2-butyramidopropanamido)-3-hydroxybutanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C50H72N8O13
+CH$EXACT_MASS: 992.5218844
+CH$SMILES: CCCC(=O)N[C@@H](C)C(=O)N[C@@H]([C@H](C)O)C(=O)N[C@H]1[C@H](OC(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](N2[C@@H](CC[C@@H](C2=O)NC(=O)[C@@H](NC1=O)CC(C)C)O)CC3=CC=CC=C3)C)CC4=CC=C(C=C4)O)C(C)C)C
+CH$IUPAC: InChI=1S/C50H72N8O13/c1-10-14-38(61)51-28(6)43(63)55-41(29(7)59)46(66)56-42-30(8)71-50(70)40(27(4)5)54-45(65)36(24-32-17-19-33(60)20-18-32)57(9)49(69)37(25-31-15-12-11-13-16-31)58-39(62)22-21-34(48(58)68)52-44(64)35(23-26(2)3)53-47(42)67/h11-13,15-20,26-30,34-37,39-42,59-60,62H,10,14,21-25H2,1-9H3,(H,51,61)(H,52,64)(H,53,67)(H,54,65)(H,55,63)(H,56,66)/t28-,29-,30+,34-,35-,36-,37-,39+,40-,41-,42-/m0/s1
+CH$LINK: PUBCHEM CID:146683895
+CH$LINK: INCHIKEY UAVAEWGJORGZNS-VURJKFNOSA-N
+CH$LINK: CHEMSPIDER 65321349
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 103-1034
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.570 min
+MS$FOCUSED_ION: BASE_PEAK 502.2657
+MS$FOCUSED_ION: PRECURSOR_M/Z 993.5292
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-004i-0000100009-d72fb4a3980df24030f3
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  243.1115 C12H13N5O+ 1 243.1115 0.06
+  420.1909 C10H28N8O10+ 5 420.1923 -3.34
+  975.5178 C50H71N8O12+ 1 975.5186 -0.85
+  993.5311 C50H73N8O13+ 1 993.5292 2
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  243.1115 16816.6 12
+  420.1909 240515.1 183
+  975.5178 1308215.4 999
+  993.5311 85460.6 65
+//
diff --git a/Eawag/MSBNK-EAWAG-ED051103.txt b/Eawag/MSBNK-EAWAG-ED051103.txt
new file mode 100644
index 0000000000..10f6edbeff
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED051103.txt
@@ -0,0 +1,58 @@
+ACCESSION: MSBNK-EAWAG-ED051103
+RECORD_TITLE: Loggerpeptin A (and isomers); LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 3
+COMMENT: CyanoMetDB_ID 511
+CH$NAME: Loggerpeptin A (and isomers)
+CH$NAME: (2R,3R)-N-((2R,5R,8R,11R,12R,15R,18R,21S)-2-benzyl-21-hydroxy-5-(4-hydroxybenzyl)-15-isobutyl-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)-2-((R)-2-butyramidopropanamido)-3-hydroxybutanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C50H72N8O13
+CH$EXACT_MASS: 992.5218844
+CH$SMILES: CCCC(=O)N[C@@H](C)C(=O)N[C@@H]([C@H](C)O)C(=O)N[C@H]1[C@H](OC(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](N2[C@@H](CC[C@@H](C2=O)NC(=O)[C@@H](NC1=O)CC(C)C)O)CC3=CC=CC=C3)C)CC4=CC=C(C=C4)O)C(C)C)C
+CH$IUPAC: InChI=1S/C50H72N8O13/c1-10-14-38(61)51-28(6)43(63)55-41(29(7)59)46(66)56-42-30(8)71-50(70)40(27(4)5)54-45(65)36(24-32-17-19-33(60)20-18-32)57(9)49(69)37(25-31-15-12-11-13-16-31)58-39(62)22-21-34(48(58)68)52-44(64)35(23-26(2)3)53-47(42)67/h11-13,15-20,26-30,34-37,39-42,59-60,62H,10,14,21-25H2,1-9H3,(H,51,61)(H,52,64)(H,53,67)(H,54,65)(H,55,63)(H,56,66)/t28-,29-,30+,34-,35-,36-,37-,39+,40-,41-,42-/m0/s1
+CH$LINK: PUBCHEM CID:146683895
+CH$LINK: INCHIKEY UAVAEWGJORGZNS-VURJKFNOSA-N
+CH$LINK: CHEMSPIDER 65321349
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 103-1034
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.570 min
+MS$FOCUSED_ION: BASE_PEAK 502.2657
+MS$FOCUSED_ION: PRECURSOR_M/Z 993.5292
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00fr-0230900008-a53ff9a0255dea7a1c62
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  120.0811 C8H10N+ 1 120.0808 2.31
+  150.0913 C9H12NO+ 1 150.0913 -0.44
+  215.117 C13H15N2O+ 2 215.1179 -3.99
+  243.1121 C12H13N5O+ 2 243.1115 2.57
+  420.1912 C10H28N8O10+ 6 420.1923 -2.54
+  730.3928 C36H54N6O10+ 8 730.3896 4.45
+  975.5183 C50H71N8O12+ 1 975.5186 -0.35
+  993.5329 C50H73N8O13+ 1 993.5292 3.78
+PK$NUM_PEAK: 8
+PK$PEAK: m/z int. rel.int.
+  120.0811 13229.9 26
+  150.0913 114255.4 232
+  215.117 39482.7 80
+  243.1121 148588.3 302
+  420.1912 490505.6 999
+  730.3928 36707.2 74
+  975.5183 403352.2 821
+  993.5329 37245.5 75
+//
diff --git a/Eawag/MSBNK-EAWAG-ED051104.txt b/Eawag/MSBNK-EAWAG-ED051104.txt
new file mode 100644
index 0000000000..e19f7a3777
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED051104.txt
@@ -0,0 +1,58 @@
+ACCESSION: MSBNK-EAWAG-ED051104
+RECORD_TITLE: Loggerpeptin A (and isomers); LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 3
+COMMENT: CyanoMetDB_ID 511
+CH$NAME: Loggerpeptin A (and isomers)
+CH$NAME: (2R,3R)-N-((2R,5R,8R,11R,12R,15R,18R,21S)-2-benzyl-21-hydroxy-5-(4-hydroxybenzyl)-15-isobutyl-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)-2-((R)-2-butyramidopropanamido)-3-hydroxybutanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C50H72N8O13
+CH$EXACT_MASS: 992.5218844
+CH$SMILES: CCCC(=O)N[C@@H](C)C(=O)N[C@@H]([C@H](C)O)C(=O)N[C@H]1[C@H](OC(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](N2[C@@H](CC[C@@H](C2=O)NC(=O)[C@@H](NC1=O)CC(C)C)O)CC3=CC=CC=C3)C)CC4=CC=C(C=C4)O)C(C)C)C
+CH$IUPAC: InChI=1S/C50H72N8O13/c1-10-14-38(61)51-28(6)43(63)55-41(29(7)59)46(66)56-42-30(8)71-50(70)40(27(4)5)54-45(65)36(24-32-17-19-33(60)20-18-32)57(9)49(69)37(25-31-15-12-11-13-16-31)58-39(62)22-21-34(48(58)68)52-44(64)35(23-26(2)3)53-47(42)67/h11-13,15-20,26-30,34-37,39-42,59-60,62H,10,14,21-25H2,1-9H3,(H,51,61)(H,52,64)(H,53,67)(H,54,65)(H,55,63)(H,56,66)/t28-,29-,30+,34-,35-,36-,37-,39+,40-,41-,42-/m0/s1
+CH$LINK: PUBCHEM CID:146683895
+CH$LINK: INCHIKEY UAVAEWGJORGZNS-VURJKFNOSA-N
+CH$LINK: CHEMSPIDER 65321349
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 103-1034
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.570 min
+MS$FOCUSED_ION: BASE_PEAK 502.2657
+MS$FOCUSED_ION: PRECURSOR_M/Z 993.5292
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0fkc-0790500001-faee4f3fbf4dd5f28414
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  120.0807 C8H10N+ 1 120.0808 -0.23
+  129.1023 C6H13N2O+ 1 129.1022 0.28
+  150.0912 C9H12NO+ 1 150.0913 -1.05
+  212.1387 C8H16N6O+ 2 212.138 3.14
+  215.1173 C13H15N2O+ 3 215.1179 -2.58
+  243.1122 C12H13N5O+ 4 243.1115 3.01
+  420.1915 C10H28N8O10+ 6 420.1923 -1.81
+  975.5196 C50H71N8O12+ 1 975.5186 1.03
+PK$NUM_PEAK: 8
+PK$PEAK: m/z int. rel.int.
+  120.0807 42382.2 171
+  129.1023 14815.5 60
+  150.0912 235633.4 955
+  212.1387 12672.8 51
+  215.1173 109628 444
+  243.1122 246472.2 999
+  420.1915 228627 926
+  975.5196 51905.8 210
+//
diff --git a/Eawag/MSBNK-EAWAG-ED051105.txt b/Eawag/MSBNK-EAWAG-ED051105.txt
new file mode 100644
index 0000000000..16a0ca829d
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED051105.txt
@@ -0,0 +1,58 @@
+ACCESSION: MSBNK-EAWAG-ED051105
+RECORD_TITLE: Loggerpeptin A (and isomers); LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 3
+COMMENT: CyanoMetDB_ID 511
+CH$NAME: Loggerpeptin A (and isomers)
+CH$NAME: (2R,3R)-N-((2R,5R,8R,11R,12R,15R,18R,21S)-2-benzyl-21-hydroxy-5-(4-hydroxybenzyl)-15-isobutyl-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)-2-((R)-2-butyramidopropanamido)-3-hydroxybutanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C50H72N8O13
+CH$EXACT_MASS: 992.5218844
+CH$SMILES: CCCC(=O)N[C@@H](C)C(=O)N[C@@H]([C@H](C)O)C(=O)N[C@H]1[C@H](OC(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](N2[C@@H](CC[C@@H](C2=O)NC(=O)[C@@H](NC1=O)CC(C)C)O)CC3=CC=CC=C3)C)CC4=CC=C(C=C4)O)C(C)C)C
+CH$IUPAC: InChI=1S/C50H72N8O13/c1-10-14-38(61)51-28(6)43(63)55-41(29(7)59)46(66)56-42-30(8)71-50(70)40(27(4)5)54-45(65)36(24-32-17-19-33(60)20-18-32)57(9)49(69)37(25-31-15-12-11-13-16-31)58-39(62)22-21-34(48(58)68)52-44(64)35(23-26(2)3)53-47(42)67/h11-13,15-20,26-30,34-37,39-42,59-60,62H,10,14,21-25H2,1-9H3,(H,51,61)(H,52,64)(H,53,67)(H,54,65)(H,55,63)(H,56,66)/t28-,29-,30+,34-,35-,36-,37-,39+,40-,41-,42-/m0/s1
+CH$LINK: PUBCHEM CID:146683895
+CH$LINK: INCHIKEY UAVAEWGJORGZNS-VURJKFNOSA-N
+CH$LINK: CHEMSPIDER 65321349
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 103-1034
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.570 min
+MS$FOCUSED_ION: BASE_PEAK 502.2657
+MS$FOCUSED_ION: PRECURSOR_M/Z 993.5292
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0v4i-0940000000-45acc6a7d8cf655eea2e
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  120.0806 C8H10N+ 1 120.0808 -1.57
+  129.1025 C6H13N2O+ 1 129.1022 1.94
+  150.0911 C9H12NO+ 1 150.0913 -1.46
+  158.0961 C11H12N+ 1 158.0964 -2.07
+  187.1231 C12H15N2+ 1 187.123 0.93
+  215.1174 C13H15N2O+ 3 215.1179 -2.5
+  243.1115 C12H13N5O+ 1 243.1115 0.31
+  420.1941 C10H28N8O10+ 7 420.1923 4.29
+PK$NUM_PEAK: 8
+PK$PEAK: m/z int. rel.int.
+  120.0806 172249.2 567
+  129.1025 29837.8 98
+  150.0911 303451.6 999
+  158.0961 34701.7 114
+  187.1231 75405.8 248
+  215.1174 162791.9 535
+  243.1115 119527.8 393
+  420.1941 8305.2 27
+//
diff --git a/Eawag/MSBNK-EAWAG-ED051106.txt b/Eawag/MSBNK-EAWAG-ED051106.txt
new file mode 100644
index 0000000000..488c4b06a5
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED051106.txt
@@ -0,0 +1,58 @@
+ACCESSION: MSBNK-EAWAG-ED051106
+RECORD_TITLE: Loggerpeptin A (and isomers); LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 3
+COMMENT: CyanoMetDB_ID 511
+CH$NAME: Loggerpeptin A (and isomers)
+CH$NAME: (2R,3R)-N-((2R,5R,8R,11R,12R,15R,18R,21S)-2-benzyl-21-hydroxy-5-(4-hydroxybenzyl)-15-isobutyl-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)-2-((R)-2-butyramidopropanamido)-3-hydroxybutanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C50H72N8O13
+CH$EXACT_MASS: 992.5218844
+CH$SMILES: CCCC(=O)N[C@@H](C)C(=O)N[C@@H]([C@H](C)O)C(=O)N[C@H]1[C@H](OC(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](N2[C@@H](CC[C@@H](C2=O)NC(=O)[C@@H](NC1=O)CC(C)C)O)CC3=CC=CC=C3)C)CC4=CC=C(C=C4)O)C(C)C)C
+CH$IUPAC: InChI=1S/C50H72N8O13/c1-10-14-38(61)51-28(6)43(63)55-41(29(7)59)46(66)56-42-30(8)71-50(70)40(27(4)5)54-45(65)36(24-32-17-19-33(60)20-18-32)57(9)49(69)37(25-31-15-12-11-13-16-31)58-39(62)22-21-34(48(58)68)52-44(64)35(23-26(2)3)53-47(42)67/h11-13,15-20,26-30,34-37,39-42,59-60,62H,10,14,21-25H2,1-9H3,(H,51,61)(H,52,64)(H,53,67)(H,54,65)(H,55,63)(H,56,66)/t28-,29-,30+,34-,35-,36-,37-,39+,40-,41-,42-/m0/s1
+CH$LINK: PUBCHEM CID:146683895
+CH$LINK: INCHIKEY UAVAEWGJORGZNS-VURJKFNOSA-N
+CH$LINK: CHEMSPIDER 65321349
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 103-1034
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.570 min
+MS$FOCUSED_ION: BASE_PEAK 502.2657
+MS$FOCUSED_ION: PRECURSOR_M/Z 993.5292
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0fk9-0910000000-b2fb17ad8d2ae2750e19
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  120.0806 C8H10N+ 1 120.0808 -1.25
+  129.1024 C6H13N2O+ 1 129.1022 0.99
+  150.0911 C9H12NO+ 1 150.0913 -1.87
+  158.0961 C11H12N+ 1 158.0964 -1.88
+  170.0963 C12H12N+ 1 170.0964 -0.56
+  187.1222 C12H15N2+ 1 187.123 -4.29
+  215.1173 C13H15N2O+ 3 215.1179 -2.58
+  243.1124 C12H13N5O+ 4 243.1115 3.89
+PK$NUM_PEAK: 8
+PK$PEAK: m/z int. rel.int.
+  120.0806 263451.9 999
+  129.1024 43145.1 163
+  150.0911 261575.7 991
+  158.0961 67806.1 257
+  170.0963 23353.1 88
+  187.1222 59679.6 226
+  215.1173 85017.4 322
+  243.1124 15863.8 60
+//
diff --git a/Eawag/MSBNK-EAWAG-ED051107.txt b/Eawag/MSBNK-EAWAG-ED051107.txt
new file mode 100644
index 0000000000..5ec666554a
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED051107.txt
@@ -0,0 +1,56 @@
+ACCESSION: MSBNK-EAWAG-ED051107
+RECORD_TITLE: Loggerpeptin A (and isomers); LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 3
+COMMENT: CyanoMetDB_ID 511
+CH$NAME: Loggerpeptin A (and isomers)
+CH$NAME: (2R,3R)-N-((2R,5R,8R,11R,12R,15R,18R,21S)-2-benzyl-21-hydroxy-5-(4-hydroxybenzyl)-15-isobutyl-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)-2-((R)-2-butyramidopropanamido)-3-hydroxybutanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C50H72N8O13
+CH$EXACT_MASS: 992.5218844
+CH$SMILES: CCCC(=O)N[C@@H](C)C(=O)N[C@@H]([C@H](C)O)C(=O)N[C@H]1[C@H](OC(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](N2[C@@H](CC[C@@H](C2=O)NC(=O)[C@@H](NC1=O)CC(C)C)O)CC3=CC=CC=C3)C)CC4=CC=C(C=C4)O)C(C)C)C
+CH$IUPAC: InChI=1S/C50H72N8O13/c1-10-14-38(61)51-28(6)43(63)55-41(29(7)59)46(66)56-42-30(8)71-50(70)40(27(4)5)54-45(65)36(24-32-17-19-33(60)20-18-32)57(9)49(69)37(25-31-15-12-11-13-16-31)58-39(62)22-21-34(48(58)68)52-44(64)35(23-26(2)3)53-47(42)67/h11-13,15-20,26-30,34-37,39-42,59-60,62H,10,14,21-25H2,1-9H3,(H,51,61)(H,52,64)(H,53,67)(H,54,65)(H,55,63)(H,56,66)/t28-,29-,30+,34-,35-,36-,37-,39+,40-,41-,42-/m0/s1
+CH$LINK: PUBCHEM CID:146683895
+CH$LINK: INCHIKEY UAVAEWGJORGZNS-VURJKFNOSA-N
+CH$LINK: CHEMSPIDER 65321349
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 103-1034
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.570 min
+MS$FOCUSED_ION: BASE_PEAK 502.2657
+MS$FOCUSED_ION: PRECURSOR_M/Z 993.5292
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0fk9-0900000000-fa438cea4ab0e5808465
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  120.0807 C8H10N+ 1 120.0808 -0.81
+  129.1026 C6H13N2O+ 1 129.1022 2.65
+  150.0912 C9H12NO+ 1 150.0913 -0.95
+  158.0966 C11H12N+ 1 158.0964 1.31
+  170.0959 C12H12N+ 1 170.0964 -2.99
+  187.123 C12H15N2+ 1 187.123 0.11
+  215.1174 C13H15N2O+ 3 215.1179 -2.29
+PK$NUM_PEAK: 7
+PK$PEAK: m/z int. rel.int.
+  120.0807 258517.8 999
+  129.1026 24215.5 93
+  150.0912 220095.8 850
+  158.0966 67312.3 260
+  170.0959 43225.3 167
+  187.123 21086.6 81
+  215.1174 20990.1 81
+//
diff --git a/Eawag/MSBNK-EAWAG-ED051201.txt b/Eawag/MSBNK-EAWAG-ED051201.txt
new file mode 100644
index 0000000000..0d704a1819
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED051201.txt
@@ -0,0 +1,44 @@
+ACCESSION: MSBNK-EAWAG-ED051201
+RECORD_TITLE: Cyanopeptolin 1020; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 512
+CH$NAME: Cyanopeptolin 1020
+CH$NAME: (4S)-5-(((2S,5S,8S,11R,12S,15S,18S,21R)-2-benzyl-15-(3-((diaminomethylene)amino)propyl)-21-hydroxy-5-(4-hydroxybenzyl)-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-4-hexanamido-5-oxopentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C50H72N10O13
+CH$EXACT_MASS: 1020.528032
+CH$SMILES: C[C@H]1OC([C@@H](NC([C@@H](N(C([C@@H](N2C([C@H](CC[C@H]2O)NC([C@@H](NC([C@H]1NC([C@@H](NC(CCCCC)=O)CCC(O)=O)=O)=O)CCC/N=C(N)/N)=O)=O)CC3=CC=CC=C3)=O)C)CC(C=C4)=CC=C4O)=O)C(C)C)=O
+CH$IUPAC: InChI=1S/C50H72N10O13/c1-6-7-9-16-38(62)54-34(22-24-40(64)65)44(67)58-42-29(4)73-49(72)41(28(2)3)57-45(68)36(26-31-17-19-32(61)20-18-31)59(5)48(71)37(27-30-13-10-8-11-14-30)60-39(63)23-21-35(47(60)70)56-43(66)33(55-46(42)69)15-12-25-53-50(51)52/h8,10-11,13-14,17-20,28-29,33-37,39,41-42,61,63H,6-7,9,12,15-16,21-27H2,1-5H3,(H,54,62)(H,55,69)(H,56,66)(H,57,68)(H,58,67)(H,64,65)(H4,51,52,53)/t29-,33+,34+,35+,36+,37+,39-,41+,42+/m1/s1
+CH$LINK: PUBCHEM CID:46830813
+CH$LINK: INCHIKEY NYXUAFLMUQAJPS-AYGLBTBXSA-N
+CH$LINK: CHEMSPIDER 25060986
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 106-1063
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.636 min
+MS$FOCUSED_ION: BASE_PEAK 1021.5352
+MS$FOCUSED_ION: PRECURSOR_M/Z 1021.5353
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00di-9000000000-ea313e1d0b82a974338e
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  1021.534 C50H73N10O13+ 1 1021.5353 -1.25
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  1021.534 154338624 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED051202.txt b/Eawag/MSBNK-EAWAG-ED051202.txt
new file mode 100644
index 0000000000..b8f04a9891
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED051202.txt
@@ -0,0 +1,48 @@
+ACCESSION: MSBNK-EAWAG-ED051202
+RECORD_TITLE: Cyanopeptolin 1020; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 512
+CH$NAME: Cyanopeptolin 1020
+CH$NAME: (4S)-5-(((2S,5S,8S,11R,12S,15S,18S,21R)-2-benzyl-15-(3-((diaminomethylene)amino)propyl)-21-hydroxy-5-(4-hydroxybenzyl)-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-4-hexanamido-5-oxopentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C50H72N10O13
+CH$EXACT_MASS: 1020.528032
+CH$SMILES: C[C@H]1OC([C@@H](NC([C@@H](N(C([C@@H](N2C([C@H](CC[C@H]2O)NC([C@@H](NC([C@H]1NC([C@@H](NC(CCCCC)=O)CCC(O)=O)=O)=O)CCC/N=C(N)/N)=O)=O)CC3=CC=CC=C3)=O)C)CC(C=C4)=CC=C4O)=O)C(C)C)=O
+CH$IUPAC: InChI=1S/C50H72N10O13/c1-6-7-9-16-38(62)54-34(22-24-40(64)65)44(67)58-42-29(4)73-49(72)41(28(2)3)57-45(68)36(26-31-17-19-32(61)20-18-31)59(5)48(71)37(27-30-13-10-8-11-14-30)60-39(63)23-21-35(47(60)70)56-43(66)33(55-46(42)69)15-12-25-53-50(51)52/h8,10-11,13-14,17-20,28-29,33-37,39,41-42,61,63H,6-7,9,12,15-16,21-27H2,1-5H3,(H,54,62)(H,55,69)(H,56,66)(H,57,68)(H,58,67)(H,64,65)(H4,51,52,53)/t29-,33+,34+,35+,36+,37+,39-,41+,42+/m1/s1
+CH$LINK: PUBCHEM CID:46830813
+CH$LINK: INCHIKEY NYXUAFLMUQAJPS-AYGLBTBXSA-N
+CH$LINK: CHEMSPIDER 25060986
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 106-1063
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.636 min
+MS$FOCUSED_ION: BASE_PEAK 1021.5352
+MS$FOCUSED_ION: PRECURSOR_M/Z 1021.5353
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00di-9000000000-80f5bbef59cd8c36b908
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  794.4189 C39H56N9O9+ 9 794.4196 -0.76
+  1003.525 C50H71N10O12+ 1 1003.5247 0.3
+  1021.5342 C50H73N10O13+ 1 1021.5353 -1.07
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  794.4189 2295471 15
+  1003.525 13422547 90
+  1021.5342 148799984 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED051203.txt b/Eawag/MSBNK-EAWAG-ED051203.txt
new file mode 100644
index 0000000000..f2ebb51d2b
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED051203.txt
@@ -0,0 +1,52 @@
+ACCESSION: MSBNK-EAWAG-ED051203
+RECORD_TITLE: Cyanopeptolin 1020; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 512
+CH$NAME: Cyanopeptolin 1020
+CH$NAME: (4S)-5-(((2S,5S,8S,11R,12S,15S,18S,21R)-2-benzyl-15-(3-((diaminomethylene)amino)propyl)-21-hydroxy-5-(4-hydroxybenzyl)-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-4-hexanamido-5-oxopentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C50H72N10O13
+CH$EXACT_MASS: 1020.528032
+CH$SMILES: C[C@H]1OC([C@@H](NC([C@@H](N(C([C@@H](N2C([C@H](CC[C@H]2O)NC([C@@H](NC([C@H]1NC([C@@H](NC(CCCCC)=O)CCC(O)=O)=O)=O)CCC/N=C(N)/N)=O)=O)CC3=CC=CC=C3)=O)C)CC(C=C4)=CC=C4O)=O)C(C)C)=O
+CH$IUPAC: InChI=1S/C50H72N10O13/c1-6-7-9-16-38(62)54-34(22-24-40(64)65)44(67)58-42-29(4)73-49(72)41(28(2)3)57-45(68)36(26-31-17-19-32(61)20-18-31)59(5)48(71)37(27-30-13-10-8-11-14-30)60-39(63)23-21-35(47(60)70)56-43(66)33(55-46(42)69)15-12-25-53-50(51)52/h8,10-11,13-14,17-20,28-29,33-37,39,41-42,61,63H,6-7,9,12,15-16,21-27H2,1-5H3,(H,54,62)(H,55,69)(H,56,66)(H,57,68)(H,58,67)(H,64,65)(H4,51,52,53)/t29-,33+,34+,35+,36+,37+,39-,41+,42+/m1/s1
+CH$LINK: PUBCHEM CID:46830813
+CH$LINK: INCHIKEY NYXUAFLMUQAJPS-AYGLBTBXSA-N
+CH$LINK: CHEMSPIDER 25060986
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 106-1063
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.636 min
+MS$FOCUSED_ION: BASE_PEAK 1021.5352
+MS$FOCUSED_ION: PRECURSOR_M/Z 1021.5353
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00di-9000000000-f848a642eb9825fbdcbd
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  420.1913 C24H26N3O4+ 6 420.1918 -1.11
+  794.4194 C39H56N9O9+ 8 794.4196 -0.14
+  975.5299 C49H71N10O11+ 1 975.5298 0.02
+  1003.525 C50H71N10O12+ 1 1003.5247 0.24
+  1021.5344 C50H73N10O13+ 1 1021.5353 -0.89
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  420.1913 2101341.8 21
+  794.4194 4382365.5 44
+  975.5299 1015763.4 10
+  1003.525 43373388 442
+  1021.5344 97948568 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED051204.txt b/Eawag/MSBNK-EAWAG-ED051204.txt
new file mode 100644
index 0000000000..e17fd771af
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED051204.txt
@@ -0,0 +1,64 @@
+ACCESSION: MSBNK-EAWAG-ED051204
+RECORD_TITLE: Cyanopeptolin 1020; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 512
+CH$NAME: Cyanopeptolin 1020
+CH$NAME: (4S)-5-(((2S,5S,8S,11R,12S,15S,18S,21R)-2-benzyl-15-(3-((diaminomethylene)amino)propyl)-21-hydroxy-5-(4-hydroxybenzyl)-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-4-hexanamido-5-oxopentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C50H72N10O13
+CH$EXACT_MASS: 1020.528032
+CH$SMILES: C[C@H]1OC([C@@H](NC([C@@H](N(C([C@@H](N2C([C@H](CC[C@H]2O)NC([C@@H](NC([C@H]1NC([C@@H](NC(CCCCC)=O)CCC(O)=O)=O)=O)CCC/N=C(N)/N)=O)=O)CC3=CC=CC=C3)=O)C)CC(C=C4)=CC=C4O)=O)C(C)C)=O
+CH$IUPAC: InChI=1S/C50H72N10O13/c1-6-7-9-16-38(62)54-34(22-24-40(64)65)44(67)58-42-29(4)73-49(72)41(28(2)3)57-45(68)36(26-31-17-19-32(61)20-18-31)59(5)48(71)37(27-30-13-10-8-11-14-30)60-39(63)23-21-35(47(60)70)56-43(66)33(55-46(42)69)15-12-25-53-50(51)52/h8,10-11,13-14,17-20,28-29,33-37,39,41-42,61,63H,6-7,9,12,15-16,21-27H2,1-5H3,(H,54,62)(H,55,69)(H,56,66)(H,57,68)(H,58,67)(H,64,65)(H4,51,52,53)/t29-,33+,34+,35+,36+,37+,39-,41+,42+/m1/s1
+CH$LINK: PUBCHEM CID:46830813
+CH$LINK: INCHIKEY NYXUAFLMUQAJPS-AYGLBTBXSA-N
+CH$LINK: CHEMSPIDER 25060986
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 106-1063
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.636 min
+MS$FOCUSED_ION: BASE_PEAK 1021.5352
+MS$FOCUSED_ION: PRECURSOR_M/Z 1021.5353
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0fk9-9000000000-fbc9424f3727ad38f9bb
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  112.0866 C5H10N3+ 1 112.0869 -2.87
+  150.0912 C9H12NO+ 1 150.0913 -0.65
+  215.117 C13H15N2O+ 2 215.1179 -4.28
+  243.112 C12H13N5O+ 2 243.1115 2.26
+  420.1914 C24H26N3O4+ 6 420.1918 -0.89
+  467.2607 C22H31N10O2+ 7 467.2626 -4.03
+  794.4197 C39H56N9O9+ 10 794.4196 0.16
+  886.4474 C47H62N6O11+ 6 886.4471 0.33
+  975.5286 C49H71N10O11+ 1 975.5298 -1.23
+  1003.5248 C50H71N10O12+ 1 1003.5247 0.06
+  1021.5348 C50H73N10O13+ 1 1021.5353 -0.54
+PK$NUM_PEAK: 11
+PK$PEAK: m/z int. rel.int.
+  112.0866 416396.7 10
+  150.0912 3996354.5 96
+  215.117 793610.9 19
+  243.112 1923724 46
+  420.1914 6310428 152
+  467.2607 1910181.8 46
+  794.4197 4303864.5 103
+  886.4474 1020443.1 24
+  975.5286 2571773.8 62
+  1003.5248 36734388 887
+  1021.5348 41358764 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED051205.txt b/Eawag/MSBNK-EAWAG-ED051205.txt
new file mode 100644
index 0000000000..d5b9654739
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED051205.txt
@@ -0,0 +1,122 @@
+ACCESSION: MSBNK-EAWAG-ED051205
+RECORD_TITLE: Cyanopeptolin 1020; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 512
+CH$NAME: Cyanopeptolin 1020
+CH$NAME: (4S)-5-(((2S,5S,8S,11R,12S,15S,18S,21R)-2-benzyl-15-(3-((diaminomethylene)amino)propyl)-21-hydroxy-5-(4-hydroxybenzyl)-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-4-hexanamido-5-oxopentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C50H72N10O13
+CH$EXACT_MASS: 1020.528032
+CH$SMILES: C[C@H]1OC([C@@H](NC([C@@H](N(C([C@@H](N2C([C@H](CC[C@H]2O)NC([C@@H](NC([C@H]1NC([C@@H](NC(CCCCC)=O)CCC(O)=O)=O)=O)CCC/N=C(N)/N)=O)=O)CC3=CC=CC=C3)=O)C)CC(C=C4)=CC=C4O)=O)C(C)C)=O
+CH$IUPAC: InChI=1S/C50H72N10O13/c1-6-7-9-16-38(62)54-34(22-24-40(64)65)44(67)58-42-29(4)73-49(72)41(28(2)3)57-45(68)36(26-31-17-19-32(61)20-18-31)59(5)48(71)37(27-30-13-10-8-11-14-30)60-39(63)23-21-35(47(60)70)56-43(66)33(55-46(42)69)15-12-25-53-50(51)52/h8,10-11,13-14,17-20,28-29,33-37,39,41-42,61,63H,6-7,9,12,15-16,21-27H2,1-5H3,(H,54,62)(H,55,69)(H,56,66)(H,57,68)(H,58,67)(H,64,65)(H4,51,52,53)/t29-,33+,34+,35+,36+,37+,39-,41+,42+/m1/s1
+CH$LINK: PUBCHEM CID:46830813
+CH$LINK: INCHIKEY NYXUAFLMUQAJPS-AYGLBTBXSA-N
+CH$LINK: CHEMSPIDER 25060986
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 106-1063
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.636 min
+MS$FOCUSED_ION: BASE_PEAK 1021.5352
+MS$FOCUSED_ION: PRECURSOR_M/Z 1021.5353
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0udi-0930100000-5fa0d72aaf671f8b219a
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  112.0869 C5H10N3+ 1 112.0869 -0.62
+  113.0709 C5H9N2O+ 1 113.0709 -0.02
+  115.0865 C5H11N2O+ 1 115.0866 -0.68
+  120.0807 C8H10N+ 1 120.0808 -0.62
+  121.0649 C8H9O+ 1 121.0648 0.84
+  138.0664 C6H8N3O+ 1 138.0662 1.21
+  139.0976 C6H11N4+ 1 139.0978 -1.25
+  140.0818 C6H10N3O+ 1 140.0818 -0.44
+  146.0961 C10H12N+ 1 146.0964 -2.25
+  149.0711 C8H9N2O+ 1 149.0709 1.28
+  150.0913 C9H12NO+ 1 150.0913 -0.44
+  156.0768 C6H10N3O2+ 1 156.0768 0.07
+  157.1086 C6H13N4O+ 1 157.1084 1.42
+  158.0959 C11H12N+ 1 158.0964 -3.61
+  170.0963 C12H12N+ 1 170.0964 -0.74
+  178.0854 C8H10N4O+ 2 178.0849 2.6
+  179.1288 C9H15N4+ 1 179.1291 -1.91
+  180.1127 C9H14N3O+ 2 180.1131 -2.57
+  181.097 C9H13N2O2+ 1 181.0972 -0.61
+  187.1227 C12H15N2+ 1 187.123 -1.6
+  195.0763 C9H11N2O3+ 1 195.0764 -0.66
+  195.1241 C9H15N4O+ 1 195.124 0.22
+  197.1032 C8H13N4O2+ 1 197.1033 -0.72
+  198.1244 C9H16N3O2+ 2 198.1237 3.56
+  212.1027 C9H14N3O3+ 1 212.103 -1.2
+  215.1174 C13H15N2O+ 3 215.1179 -2.5
+  223.1185 C9H19O6+ 3 223.1176 4.04
+  228.1224 C9H16N4O3+ 2 228.1217 3.3
+  240.1458 C10H18N5O2+ 2 240.1455 1.27
+  241.1292 C10H17N4O3+ 3 241.1295 -1.38
+  251.1134 C11H15N4O3+ 3 251.1139 -1.88
+  295.1652 C15H23N2O4+ 4 295.1652 -0.23
+  334.1508 C15H20N5O4+ 6 334.151 -0.49
+  354.1911 C19H24N5O2+ 6 354.1925 -3.79
+  432.2251 C22H26N9O+ 6 432.2255 -0.86
+  450.2345 C21H32N5O6+ 8 450.2347 -0.49
+  467.2615 C22H31N10O2+ 7 467.2626 -2.27
+  886.4465 C47H62N6O11+ 6 886.4471 -0.7
+  1003.5255 C50H71N10O12+ 1 1003.5247 0.73
+  1021.5366 C50H73N10O13+ 1 1021.5353 1.26
+PK$NUM_PEAK: 40
+PK$PEAK: m/z int. rel.int.
+  112.0869 2430713.5 199
+  113.0709 1756911.5 144
+  115.0865 657786.6 54
+  120.0807 2595703.8 213
+  121.0649 220734.7 18
+  138.0664 1197841.5 98
+  139.0976 149636.7 12
+  140.0818 188310.2 15
+  146.0961 258486.5 21
+  149.0711 126431 10
+  150.0913 12168471 999
+  156.0768 177024.1 14
+  157.1086 467585 38
+  158.0959 546674.3 44
+  170.0963 589257.4 48
+  178.0854 1022069.7 83
+  179.1288 291918 23
+  180.1127 206977.1 16
+  181.097 250592.2 20
+  187.1227 1260151.2 103
+  195.0763 543309.4 44
+  195.1241 350928.3 28
+  197.1032 389888.1 32
+  198.1244 618772.2 50
+  212.1027 250401.8 20
+  215.1174 3999786.2 328
+  223.1185 2271447 186
+  228.1224 2164127.8 177
+  240.1458 789507.9 64
+  241.1292 1544284.5 126
+  251.1134 261108.8 21
+  295.1652 1355060.5 111
+  334.1508 1478722 121
+  354.1911 587364.2 48
+  432.2251 504146 41
+  450.2345 2224630.2 182
+  467.2615 1545331.4 126
+  886.4465 365859.4 30
+  1003.5255 1585105 130
+  1021.5366 879949.2 72
+//
diff --git a/Eawag/MSBNK-EAWAG-ED051206.txt b/Eawag/MSBNK-EAWAG-ED051206.txt
new file mode 100644
index 0000000000..270fc60031
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED051206.txt
@@ -0,0 +1,128 @@
+ACCESSION: MSBNK-EAWAG-ED051206
+RECORD_TITLE: Cyanopeptolin 1020; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 512
+CH$NAME: Cyanopeptolin 1020
+CH$NAME: (4S)-5-(((2S,5S,8S,11R,12S,15S,18S,21R)-2-benzyl-15-(3-((diaminomethylene)amino)propyl)-21-hydroxy-5-(4-hydroxybenzyl)-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-4-hexanamido-5-oxopentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C50H72N10O13
+CH$EXACT_MASS: 1020.528032
+CH$SMILES: C[C@H]1OC([C@@H](NC([C@@H](N(C([C@@H](N2C([C@H](CC[C@H]2O)NC([C@@H](NC([C@H]1NC([C@@H](NC(CCCCC)=O)CCC(O)=O)=O)=O)CCC/N=C(N)/N)=O)=O)CC3=CC=CC=C3)=O)C)CC(C=C4)=CC=C4O)=O)C(C)C)=O
+CH$IUPAC: InChI=1S/C50H72N10O13/c1-6-7-9-16-38(62)54-34(22-24-40(64)65)44(67)58-42-29(4)73-49(72)41(28(2)3)57-45(68)36(26-31-17-19-32(61)20-18-31)59(5)48(71)37(27-30-13-10-8-11-14-30)60-39(63)23-21-35(47(60)70)56-43(66)33(55-46(42)69)15-12-25-53-50(51)52/h8,10-11,13-14,17-20,28-29,33-37,39,41-42,61,63H,6-7,9,12,15-16,21-27H2,1-5H3,(H,54,62)(H,55,69)(H,56,66)(H,57,68)(H,58,67)(H,64,65)(H4,51,52,53)/t29-,33+,34+,35+,36+,37+,39-,41+,42+/m1/s1
+CH$LINK: PUBCHEM CID:46830813
+CH$LINK: INCHIKEY NYXUAFLMUQAJPS-AYGLBTBXSA-N
+CH$LINK: CHEMSPIDER 25060986
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 106-1063
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.636 min
+MS$FOCUSED_ION: BASE_PEAK 1021.5352
+MS$FOCUSED_ION: PRECURSOR_M/Z 1021.5353
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0uk9-0910000000-08101aab598c32d60c38
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  112.0869 C5H10N3+ 1 112.0869 -0.48
+  113.0709 C5H9N2O+ 1 113.0709 -0.15
+  114.0552 C5H8NO2+ 1 114.055 1.98
+  115.0866 C5H11N2O+ 1 115.0866 0.12
+  120.0807 C8H10N+ 1 120.0808 -0.36
+  121.0648 C8H9O+ 1 121.0648 0.21
+  122.0595 C7H8NO+ 1 122.06 -4.32
+  125.0709 C6H9N2O+ 1 125.0709 -0.5
+  138.0662 C6H8N3O+ 1 138.0662 0.43
+  138.0912 C8H12NO+ 1 138.0913 -0.93
+  139.0863 C7H11N2O+ 1 139.0866 -2.32
+  139.0983 C6H11N4+ 1 139.0978 3.14
+  140.082 C6H10N3O+ 1 140.0818 1.3
+  141.1024 C7H13N2O+ 1 141.1022 0.84
+  146.0964 C10H12N+ 1 146.0964 0.15
+  149.0708 C8H9N2O+ 1 149.0709 -0.66
+  150.0912 C9H12NO+ 1 150.0913 -0.65
+  153.1017 C8H13N2O+ 1 153.1022 -3.56
+  156.077 C6H10N3O2+ 1 156.0768 1.34
+  157.1084 C6H13N4O+ 1 157.1084 -0.14
+  158.0962 C11H12N+ 1 158.0964 -1.2
+  162.1025 C9H12N3+ 1 162.1026 -0.33
+  165.102 C9H13N2O+ 1 165.1022 -1.39
+  166.0976 C8H12N3O+ 1 166.0975 0.57
+  167.0813 C8H11N2O2+ 1 167.0815 -1.05
+  170.0963 C12H12N+ 1 170.0964 -0.65
+  179.1289 C9H15N4+ 1 179.1291 -0.97
+  187.1226 C12H15N2+ 1 187.123 -1.76
+  194.092 C9H12N3O2+ 2 194.0924 -2.25
+  195.0761 C9H11N2O3+ 1 195.0764 -1.68
+  197.1041 C8H13N4O2+ 2 197.1033 3.85
+  198.0912 C13H12NO+ 1 198.0913 -0.83
+  208.1078 C10H14N3O2+ 1 208.1081 -1.17
+  212.1025 C9H14N3O3+ 2 212.103 -2.36
+  215.1173 C13H15N2O+ 2 215.1179 -2.79
+  223.1185 C9H19O6+ 3 223.1176 3.91
+  226.0853 C14H12NO2+ 2 226.0863 -4.07
+  228.1219 C9H16N4O3+ 2 228.1217 1.09
+  241.1299 C10H17N4O3+ 2 241.1295 1.53
+  243.1121 C12H13N5O+ 4 243.1115 2.63
+  295.1653 C15H23N2O4+ 4 295.1652 0.28
+  308.1282 C19H18NO3+ 5 308.1281 0.14
+  334.1505 C15H20N5O4+ 4 334.151 -1.58
+PK$NUM_PEAK: 43
+PK$PEAK: m/z int. rel.int.
+  112.0869 2567025.2 219
+  113.0709 2121484.5 181
+  114.0552 250915.3 21
+  115.0866 1159775.5 99
+  120.0807 4587208 391
+  121.0648 577707.6 49
+  122.0595 133435 11
+  125.0709 118498.3 10
+  138.0662 940705.4 80
+  138.0912 154248 13
+  139.0863 120450.3 10
+  139.0983 137665.1 11
+  140.082 339373.2 28
+  141.1024 323423.6 27
+  146.0964 729228.9 62
+  149.0708 720814.6 61
+  150.0912 11702928 999
+  153.1017 315989.1 26
+  156.077 126713.5 10
+  157.1084 467494.3 39
+  158.0962 1000036.3 85
+  162.1025 303142.1 25
+  165.102 181737.2 15
+  166.0976 239611.4 20
+  167.0813 1033096 88
+  170.0963 1470895.1 125
+  179.1289 383082.3 32
+  187.1226 920267.9 78
+  194.092 294245.8 25
+  195.0761 1305186.6 111
+  197.1041 455660 38
+  198.0912 342180.2 29
+  208.1078 270657.6 23
+  212.1025 780506.2 66
+  215.1173 2408645.2 205
+  223.1185 1321095.2 112
+  226.0853 257909.9 22
+  228.1219 1038043.9 88
+  241.1299 924760.9 78
+  243.1121 655955.1 55
+  295.1653 201743.4 17
+  308.1282 1299712.4 110
+  334.1505 1034781.1 88
+//
diff --git a/Eawag/MSBNK-EAWAG-ED051207.txt b/Eawag/MSBNK-EAWAG-ED051207.txt
new file mode 100644
index 0000000000..4faadfc541
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED051207.txt
@@ -0,0 +1,154 @@
+ACCESSION: MSBNK-EAWAG-ED051207
+RECORD_TITLE: Cyanopeptolin 1020; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 512
+CH$NAME: Cyanopeptolin 1020
+CH$NAME: (4S)-5-(((2S,5S,8S,11R,12S,15S,18S,21R)-2-benzyl-15-(3-((diaminomethylene)amino)propyl)-21-hydroxy-5-(4-hydroxybenzyl)-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-4-hexanamido-5-oxopentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C50H72N10O13
+CH$EXACT_MASS: 1020.528032
+CH$SMILES: C[C@H]1OC([C@@H](NC([C@@H](N(C([C@@H](N2C([C@H](CC[C@H]2O)NC([C@@H](NC([C@H]1NC([C@@H](NC(CCCCC)=O)CCC(O)=O)=O)=O)CCC/N=C(N)/N)=O)=O)CC3=CC=CC=C3)=O)C)CC(C=C4)=CC=C4O)=O)C(C)C)=O
+CH$IUPAC: InChI=1S/C50H72N10O13/c1-6-7-9-16-38(62)54-34(22-24-40(64)65)44(67)58-42-29(4)73-49(72)41(28(2)3)57-45(68)36(26-31-17-19-32(61)20-18-31)59(5)48(71)37(27-30-13-10-8-11-14-30)60-39(63)23-21-35(47(60)70)56-43(66)33(55-46(42)69)15-12-25-53-50(51)52/h8,10-11,13-14,17-20,28-29,33-37,39,41-42,61,63H,6-7,9,12,15-16,21-27H2,1-5H3,(H,54,62)(H,55,69)(H,56,66)(H,57,68)(H,58,67)(H,64,65)(H4,51,52,53)/t29-,33+,34+,35+,36+,37+,39-,41+,42+/m1/s1
+CH$LINK: PUBCHEM CID:46830813
+CH$LINK: INCHIKEY NYXUAFLMUQAJPS-AYGLBTBXSA-N
+CH$LINK: CHEMSPIDER 25060986
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 106-1063
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.636 min
+MS$FOCUSED_ION: BASE_PEAK 1021.5352
+MS$FOCUSED_ION: PRECURSOR_M/Z 1021.5353
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0uk9-0900000000-b3940e62a5db1ecbd4c9
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  107.0492 C7H7O+ 1 107.0491 0.15
+  110.0713 C5H8N3+ 1 110.0713 0.33
+  111.0913 C6H11N2+ 1 111.0917 -3.13
+  112.0868 C5H10N3+ 1 112.0869 -1.03
+  113.0709 C5H9N2O+ 1 113.0709 -0.15
+  114.0547 C5H8NO2+ 1 114.055 -2.03
+  114.1024 C5H12N3+ 1 114.1026 -1.4
+  115.0864 C5H11N2O+ 1 115.0866 -1.27
+  119.0491 C8H7O+ 1 119.0491 -0.41
+  120.0807 C8H10N+ 1 120.0808 -0.62
+  121.0284 C7H5O2+ 1 121.0284 -0.35
+  121.0648 C8H9O+ 1 121.0648 -0.05
+  122.06 C7H8NO+ 1 122.06 0.06
+  125.0707 C6H9N2O+ 1 125.0709 -2.02
+  129.0661 C5H9N2O2+ 1 129.0659 1.53
+  135.0676 C8H9NO+ 1 135.0679 -2.21
+  137.0706 C7H9N2O+ 1 137.0709 -2.6
+  138.0661 C6H8N3O+ 1 138.0662 -0.34
+  138.0909 C8H12NO+ 1 138.0913 -3.14
+  139.0863 C7H11N2O+ 1 139.0866 -2.32
+  140.0817 C6H10N3O+ 1 140.0818 -1.09
+  141.1019 C7H13N2O+ 1 141.1022 -2.19
+  146.0962 C10H12N+ 1 146.0964 -1.52
+  148.0755 C9H10NO+ 1 148.0757 -1.21
+  149.0707 C8H9N2O+ 1 149.0709 -1.58
+  150.0911 C9H12NO+ 1 150.0913 -1.87
+  153.1021 C8H13N2O+ 1 153.1022 -1.07
+  157.1087 C6H13N4O+ 1 157.1084 1.9
+  158.0961 C11H12N+ 1 158.0964 -2.26
+  163.0865 C9H11N2O+ 1 163.0866 -0.85
+  166.0974 C8H12N3O+ 1 166.0975 -0.26
+  167.0813 C8H11N2O2+ 1 167.0815 -1.32
+  168.0647 C6H8N4O2+ 1 168.0642 2.89
+  168.0802 C12H10N+ 1 168.0808 -3.35
+  170.0963 C12H12N+ 1 170.0964 -0.56
+  179.1287 C9H15N4+ 1 179.1291 -2.34
+  180.1131 C9H14N3O+ 1 180.1131 -0.45
+  181.0955 C7H11N5O+ 1 181.0958 -1.96
+  187.1228 C12H15N2+ 1 187.123 -1.19
+  194.0919 C9H12N3O2+ 2 194.0924 -2.8
+  195.076 C9H11N2O3+ 2 195.0764 -1.91
+  195.1235 C9H15N4O+ 3 195.124 -2.6
+  197.1041 C8H13N4O2+ 2 197.1033 3.85
+  198.0909 C13H12NO+ 2 198.0913 -1.99
+  198.1237 C9H16N3O2+ 1 198.1237 0.1
+  200.1279 C10H18NO3+ 1 200.1281 -0.93
+  206.0935 C12H14O3+ 1 206.0937 -1.06
+  208.1081 C10H14N3O2+ 1 208.1081 0
+  212.1028 C9H14N3O3+ 1 212.103 -0.92
+  215.1177 C13H15N2O+ 2 215.1179 -1.02
+  223.1187 C9H19O6+ 3 223.1176 4.66
+  226.0858 C14H12NO2+ 3 226.0863 -1.91
+  228.1224 C9H16N4O3+ 2 228.1217 3.1
+  239.1173 H21N3O11+ 5 239.1171 1.16
+  241.1301 C10H17N4O3+ 2 241.1295 2.36
+  308.1277 C19H18NO3+ 5 308.1281 -1.25
+PK$NUM_PEAK: 56
+PK$PEAK: m/z int. rel.int.
+  107.0492 779730.8 84
+  110.0713 172412 18
+  111.0913 110044.9 11
+  112.0868 2079835.8 224
+  113.0709 1400470.4 151
+  114.0547 262970.4 28
+  114.1024 129213 13
+  115.0864 1196325 129
+  119.0491 379220.9 40
+  120.0807 4625153.5 499
+  121.0284 217755.5 23
+  121.0648 896078.9 96
+  122.06 277251.4 29
+  125.0707 196228.3 21
+  129.0661 259380.9 28
+  135.0676 577641.4 62
+  137.0706 105665 11
+  138.0661 737590.8 79
+  138.0909 234821.3 25
+  139.0863 167698.7 18
+  140.0817 327224.5 35
+  141.1019 294240.3 31
+  146.0962 670360.4 72
+  148.0755 145139.1 15
+  149.0707 872523 94
+  150.0911 9248541 999
+  153.1021 454772.8 49
+  157.1087 273529.4 29
+  158.0961 1029423.9 111
+  163.0865 130547.3 14
+  166.0974 201510.2 21
+  167.0813 1114224 120
+  168.0647 117207.6 12
+  168.0802 228160.8 24
+  170.0963 1829174.8 197
+  179.1287 196912.6 21
+  180.1131 281264.8 30
+  181.0955 541421.7 58
+  187.1228 463496.1 50
+  194.0919 210255.5 22
+  195.076 624064.6 67
+  195.1235 209851.2 22
+  197.1041 211686.3 22
+  198.0909 370358.5 40
+  198.1237 164326.9 17
+  200.1279 224182.2 24
+  206.0935 105381.5 11
+  208.1081 166273.7 17
+  212.1028 530474.8 57
+  215.1177 687936.4 74
+  223.1187 485169.9 52
+  226.0858 140270.1 15
+  228.1224 230345.2 24
+  239.1173 152812.3 16
+  241.1301 264993.8 28
+  308.1277 305470.3 32
+//
diff --git a/Eawag/MSBNK-EAWAG-ED051208.txt b/Eawag/MSBNK-EAWAG-ED051208.txt
new file mode 100644
index 0000000000..bf50a0e574
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED051208.txt
@@ -0,0 +1,148 @@
+ACCESSION: MSBNK-EAWAG-ED051208
+RECORD_TITLE: Cyanopeptolin 1020; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 512
+CH$NAME: Cyanopeptolin 1020
+CH$NAME: (4S)-5-(((2S,5S,8S,11R,12S,15S,18S,21R)-2-benzyl-15-(3-((diaminomethylene)amino)propyl)-21-hydroxy-5-(4-hydroxybenzyl)-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-4-hexanamido-5-oxopentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C50H72N10O13
+CH$EXACT_MASS: 1020.528032
+CH$SMILES: C[C@H]1OC([C@@H](NC([C@@H](N(C([C@@H](N2C([C@H](CC[C@H]2O)NC([C@@H](NC([C@H]1NC([C@@H](NC(CCCCC)=O)CCC(O)=O)=O)=O)CCC/N=C(N)/N)=O)=O)CC3=CC=CC=C3)=O)C)CC(C=C4)=CC=C4O)=O)C(C)C)=O
+CH$IUPAC: InChI=1S/C50H72N10O13/c1-6-7-9-16-38(62)54-34(22-24-40(64)65)44(67)58-42-29(4)73-49(72)41(28(2)3)57-45(68)36(26-31-17-19-32(61)20-18-31)59(5)48(71)37(27-30-13-10-8-11-14-30)60-39(63)23-21-35(47(60)70)56-43(66)33(55-46(42)69)15-12-25-53-50(51)52/h8,10-11,13-14,17-20,28-29,33-37,39,41-42,61,63H,6-7,9,12,15-16,21-27H2,1-5H3,(H,54,62)(H,55,69)(H,56,66)(H,57,68)(H,58,67)(H,64,65)(H4,51,52,53)/t29-,33+,34+,35+,36+,37+,39-,41+,42+/m1/s1
+CH$LINK: PUBCHEM CID:46830813
+CH$LINK: INCHIKEY NYXUAFLMUQAJPS-AYGLBTBXSA-N
+CH$LINK: CHEMSPIDER 25060986
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 106-1063
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.636 min
+MS$FOCUSED_ION: BASE_PEAK 1021.5352
+MS$FOCUSED_ION: PRECURSOR_M/Z 1021.5353
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0uk9-0900000000-d54fe276024b25d83994
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  107.0491 C7H7O+ 1 107.0491 -0.28
+  109.0648 C7H9O+ 1 109.0648 -0.36
+  111.0555 C5H7N2O+ 1 111.0553 1.55
+  111.092 C6H11N2+ 1 111.0917 2.5
+  112.0393 C5H6NO2+ 1 112.0393 -0.45
+  112.0869 C5H10N3+ 1 112.0869 -0.14
+  113.0709 C5H9N2O+ 1 113.0709 -0.22
+  114.0551 C5H8NO2+ 1 114.055 1.18
+  114.1026 C5H12N3+ 1 114.1026 0.27
+  115.0865 C5H11N2O+ 1 115.0866 -0.41
+  117.0571 C8H7N+ 1 117.0573 -1.85
+  118.0651 C8H8N+ 1 118.0651 -0.62
+  119.0494 C8H7O+ 1 119.0491 2.09
+  120.0808 C8H10N+ 1 120.0808 0.02
+  121.0287 C7H5O2+ 1 121.0284 2.04
+  121.0651 C8H9O+ 1 121.0648 2.16
+  121.0756 C7H9N2+ 1 121.076 -3.16
+  122.0598 C7H8NO+ 1 122.06 -1.63
+  123.0552 C6H7N2O+ 1 123.0553 -0.89
+  124.076 C7H10NO+ 1 124.0757 2.81
+  124.0868 C6H10N3+ 1 124.0869 -1.21
+  125.0712 C6H9N2O+ 1 125.0709 1.82
+  128.0618 C10H8+ 1 128.0621 -2.26
+  134.0601 C8H8NO+ 1 134.06 0.39
+  135.0556 C7H7N2O+ 1 135.0553 2.33
+  135.0676 C8H9NO+ 1 135.0679 -1.76
+  136.0752 C8H10NO+ 1 136.0757 -3.53
+  137.1071 C8H13N2+ 1 137.1073 -1.99
+  138.0665 C6H8N3O+ 1 138.0662 1.98
+  138.0912 C8H12NO+ 1 138.0913 -1.04
+  140.0702 C7H10NO2+ 1 140.0706 -2.71
+  140.0823 C6H10N3O+ 1 140.0818 3.37
+  141.0663 C6H9N2O2+ 1 141.0659 2.85
+  141.1017 C7H13N2O+ 1 141.1022 -4.02
+  146.0965 C10H12N+ 1 146.0964 0.47
+  148.0759 C9H10NO+ 1 148.0757 1.57
+  149.0708 C8H9N2O+ 1 149.0709 -0.66
+  150.0912 C9H12NO+ 1 150.0913 -0.95
+  153.1021 C8H13N2O+ 1 153.1022 -1.07
+  158.0964 C11H12N+ 1 158.0964 0.15
+  162.1026 C9H12N3+ 1 162.1026 -0.14
+  163.0866 C9H11N2O+ 1 163.0866 0.18
+  165.1024 C9H13N2O+ 1 165.1022 1.2
+  167.0817 C8H11N2O2+ 1 167.0815 1.05
+  168.0807 C12H10N+ 1 168.0808 -0.63
+  170.0963 C12H12N+ 1 170.0964 -0.47
+  180.1129 C9H14N3O+ 1 180.1131 -1.38
+  182.0931 C10H14O3+ 2 182.0937 -3.55
+  184.108 C8H14N3O2+ 1 184.1081 -0.25
+  187.1231 C12H15N2+ 1 187.123 0.93
+  195.1235 C9H15N4O+ 3 195.124 -2.52
+  215.1181 C13H15N2O+ 2 215.1179 0.9
+  223.1185 C9H19O6+ 3 223.1176 4.18
+PK$NUM_PEAK: 53
+PK$PEAK: m/z int. rel.int.
+  107.0491 1000117.8 144
+  109.0648 184547.5 26
+  111.0555 185949 26
+  111.092 107201.9 15
+  112.0393 154428.6 22
+  112.0869 1559377.2 224
+  113.0709 851408.2 122
+  114.0551 293546.7 42
+  114.1026 146768.6 21
+  115.0865 957949.6 137
+  117.0571 145932.7 21
+  118.0651 211561.2 30
+  119.0494 599805.1 86
+  120.0808 3995929.2 575
+  121.0287 282978 40
+  121.0651 1063961.2 153
+  121.0756 118601.1 17
+  122.0598 577346.7 83
+  123.0552 176282.7 25
+  124.076 115778.8 16
+  124.0868 126502.2 18
+  125.0712 271432.2 39
+  128.0618 152568.8 21
+  134.0601 194895.1 28
+  135.0556 114075.8 16
+  135.0676 1035186 149
+  136.0752 94240 13
+  137.1071 140747.8 20
+  138.0665 607224.6 87
+  138.0912 230140.9 33
+  140.0702 119970.4 17
+  140.0823 132597.7 19
+  141.0663 328202.4 47
+  141.1017 240998.1 34
+  146.0965 472212.8 68
+  148.0759 107868.1 15
+  149.0708 962448.1 138
+  150.0912 6935126 999
+  153.1021 258125.1 37
+  158.0964 738474.6 106
+  162.1026 205001.1 29
+  163.0866 98528.8 14
+  165.1024 119804.6 17
+  167.0817 823990.1 118
+  168.0807 450208.5 64
+  170.0963 1805759.1 260
+  180.1129 159505.8 22
+  182.0931 193723.9 27
+  184.108 146089.4 21
+  187.1231 155050.4 22
+  195.1235 122547 17
+  215.1181 179914.4 25
+  223.1185 138208.7 19
+//
diff --git a/Eawag/MSBNK-EAWAG-ED051209.txt b/Eawag/MSBNK-EAWAG-ED051209.txt
new file mode 100644
index 0000000000..ca9cfc9cf9
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED051209.txt
@@ -0,0 +1,134 @@
+ACCESSION: MSBNK-EAWAG-ED051209
+RECORD_TITLE: Cyanopeptolin 1020; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 512
+CH$NAME: Cyanopeptolin 1020
+CH$NAME: (4S)-5-(((2S,5S,8S,11R,12S,15S,18S,21R)-2-benzyl-15-(3-((diaminomethylene)amino)propyl)-21-hydroxy-5-(4-hydroxybenzyl)-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-4-hexanamido-5-oxopentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C50H72N10O13
+CH$EXACT_MASS: 1020.528032
+CH$SMILES: C[C@H]1OC([C@@H](NC([C@@H](N(C([C@@H](N2C([C@H](CC[C@H]2O)NC([C@@H](NC([C@H]1NC([C@@H](NC(CCCCC)=O)CCC(O)=O)=O)=O)CCC/N=C(N)/N)=O)=O)CC3=CC=CC=C3)=O)C)CC(C=C4)=CC=C4O)=O)C(C)C)=O
+CH$IUPAC: InChI=1S/C50H72N10O13/c1-6-7-9-16-38(62)54-34(22-24-40(64)65)44(67)58-42-29(4)73-49(72)41(28(2)3)57-45(68)36(26-31-17-19-32(61)20-18-31)59(5)48(71)37(27-30-13-10-8-11-14-30)60-39(63)23-21-35(47(60)70)56-43(66)33(55-46(42)69)15-12-25-53-50(51)52/h8,10-11,13-14,17-20,28-29,33-37,39,41-42,61,63H,6-7,9,12,15-16,21-27H2,1-5H3,(H,54,62)(H,55,69)(H,56,66)(H,57,68)(H,58,67)(H,64,65)(H4,51,52,53)/t29-,33+,34+,35+,36+,37+,39-,41+,42+/m1/s1
+CH$LINK: PUBCHEM CID:46830813
+CH$LINK: INCHIKEY NYXUAFLMUQAJPS-AYGLBTBXSA-N
+CH$LINK: CHEMSPIDER 25060986
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 106-1063
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.636 min
+MS$FOCUSED_ION: BASE_PEAK 1021.5352
+MS$FOCUSED_ION: PRECURSOR_M/Z 1021.5353
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0fk9-0900000000-3e152c75d5f534eeb52e
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  107.0492 C7H7O+ 1 107.0491 0.72
+  109.0649 C7H9O+ 1 109.0648 0.62
+  110.0601 C6H8NO+ 1 110.06 0.91
+  112.0394 C5H6NO2+ 1 112.0393 1.05
+  112.0869 C5H10N3+ 1 112.0869 -0.42
+  113.071 C5H9N2O+ 1 113.0709 0.25
+  114.0548 C5H8NO2+ 1 114.055 -1.5
+  114.1025 C5H12N3+ 1 114.1026 -0.33
+  115.0543 C9H7+ 1 115.0542 0.31
+  115.0865 C5H11N2O+ 1 115.0866 -0.35
+  117.0577 C8H7N+ 1 117.0573 3.69
+  118.0653 C8H8N+ 1 118.0651 1.12
+  119.0493 C8H7O+ 1 119.0491 1.64
+  120.0807 C8H10N+ 1 120.0808 -0.3
+  121.0285 C7H5O2+ 1 121.0284 0.78
+  121.0651 C8H9O+ 1 121.0648 2.41
+  121.0759 C7H9N2+ 1 121.076 -0.7
+  122.0602 C7H8NO+ 1 122.06 1.37
+  123.0555 C6H7N2O+ 1 123.0553 1.96
+  124.0762 C7H10NO+ 1 124.0757 3.86
+  124.0871 C6H10N3+ 1 124.0869 1.56
+  125.0712 C6H9N2O+ 1 125.0709 2.25
+  130.0654 C9H8N+ 1 130.0651 1.83
+  132.0813 C9H10N+ 1 132.0808 4.01
+  134.0601 C8H8NO+ 1 134.06 0.73
+  135.0554 C7H7N2O+ 1 135.0553 0.97
+  135.0676 C8H9NO+ 1 135.0679 -1.87
+  136.087 C7H10N3+ 1 136.0869 0.82
+  137.0711 C7H9N2O+ 1 137.0709 1.08
+  138.0661 C6H8N3O+ 1 138.0662 -0.89
+  138.0913 C8H12NO+ 1 138.0913 -0.6
+  139.0868 C7H11N2O+ 1 139.0866 1.63
+  140.0703 C7H10NO2+ 1 140.0706 -2.27
+  141.1021 C7H13N2O+ 1 141.1022 -1.1
+  144.0811 C10H10N+ 1 144.0808 2.51
+  148.0757 C9H10NO+ 1 148.0757 -0.18
+  149.0708 C8H9N2O+ 1 149.0709 -0.76
+  150.0912 C9H12NO+ 1 150.0913 -1.16
+  153.0695 C12H9+ 1 153.0699 -2.47
+  153.1024 C8H13N2O+ 1 153.1022 1.12
+  155.0726 C11H9N+ 1 155.073 -2.18
+  158.0963 C11H12N+ 1 158.0964 -0.72
+  162.1027 C9H12N3+ 1 162.1026 0.99
+  168.0809 C12H10N+ 1 168.0808 0.91
+  170.0964 C12H12N+ 1 170.0964 -0.11
+  198.0916 C13H12NO+ 1 198.0913 1.55
+PK$NUM_PEAK: 46
+PK$PEAK: m/z int. rel.int.
+  107.0492 1154852.1 266
+  109.0649 198987.4 45
+  110.0601 184162.5 42
+  112.0394 188546.2 43
+  112.0869 1070412.8 247
+  113.071 531338.8 122
+  114.0548 287743.9 66
+  114.1025 92288.7 21
+  115.0543 180907.3 41
+  115.0865 564537.2 130
+  117.0577 237064.8 54
+  118.0653 279984.2 64
+  119.0493 614924.2 141
+  120.0807 3096688.2 714
+  121.0285 248489.6 57
+  121.0651 953232 219
+  121.0759 181423.1 41
+  122.0602 728298.9 168
+  123.0555 181467.4 41
+  124.0762 90341 20
+  124.0871 84215.7 19
+  125.0712 330987.7 76
+  130.0654 211158.5 48
+  132.0813 142188.8 32
+  134.0601 183070.1 42
+  135.0554 255829 59
+  135.0676 1525958.9 352
+  136.087 92080.3 21
+  137.0711 132613.8 30
+  138.0661 478301.6 110
+  138.0913 176181.8 40
+  139.0868 167900.5 38
+  140.0703 69566.6 16
+  141.1021 106280.3 24
+  144.0811 109338.3 25
+  148.0757 116922.7 26
+  149.0708 744138.3 171
+  150.0912 4328678.5 999
+  153.0695 257362.2 59
+  153.1024 163290.9 37
+  155.0726 131574.8 30
+  158.0963 302106.8 69
+  162.1027 182714.8 42
+  168.0809 589561.2 136
+  170.0964 1294979.8 298
+  198.0916 151512.3 34
+//
diff --git a/Eawag/MSBNK-EAWAG-ED051251.txt b/Eawag/MSBNK-EAWAG-ED051251.txt
new file mode 100644
index 0000000000..36674c6a55
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED051251.txt
@@ -0,0 +1,44 @@
+ACCESSION: MSBNK-EAWAG-ED051251
+RECORD_TITLE: Cyanopeptolin 1020; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 512
+CH$NAME: Cyanopeptolin 1020
+CH$NAME: (4S)-5-(((2S,5S,8S,11R,12S,15S,18S,21R)-2-benzyl-15-(3-((diaminomethylene)amino)propyl)-21-hydroxy-5-(4-hydroxybenzyl)-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-4-hexanamido-5-oxopentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C50H72N10O13
+CH$EXACT_MASS: 1020.528032
+CH$SMILES: C[C@H]1OC([C@@H](NC([C@@H](N(C([C@@H](N2C([C@H](CC[C@H]2O)NC([C@@H](NC([C@H]1NC([C@@H](NC(CCCCC)=O)CCC(O)=O)=O)=O)CCC/N=C(N)/N)=O)=O)CC3=CC=CC=C3)=O)C)CC(C=C4)=CC=C4O)=O)C(C)C)=O
+CH$IUPAC: InChI=1S/C50H72N10O13/c1-6-7-9-16-38(62)54-34(22-24-40(64)65)44(67)58-42-29(4)73-49(72)41(28(2)3)57-45(68)36(26-31-17-19-32(61)20-18-31)59(5)48(71)37(27-30-13-10-8-11-14-30)60-39(63)23-21-35(47(60)70)56-43(66)33(55-46(42)69)15-12-25-53-50(51)52/h8,10-11,13-14,17-20,28-29,33-37,39,41-42,61,63H,6-7,9,12,15-16,21-27H2,1-5H3,(H,54,62)(H,55,69)(H,56,66)(H,57,68)(H,58,67)(H,64,65)(H4,51,52,53)/t29-,33+,34+,35+,36+,37+,39-,41+,42+/m1/s1
+CH$LINK: PUBCHEM CID:46830813
+CH$LINK: INCHIKEY NYXUAFLMUQAJPS-AYGLBTBXSA-N
+CH$LINK: CHEMSPIDER 25060986
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 106-1061
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.650 min
+MS$FOCUSED_ION: BASE_PEAK 1019.5212
+MS$FOCUSED_ION: PRECURSOR_M/Z 1019.5208
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-014i-9000000000-236b9834c9dff87fcb56
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  1019.522 C50H71N10O13- 1 1019.5208 1.26
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  1019.522 52317576 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED051252.txt b/Eawag/MSBNK-EAWAG-ED051252.txt
new file mode 100644
index 0000000000..434ab27a27
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED051252.txt
@@ -0,0 +1,50 @@
+ACCESSION: MSBNK-EAWAG-ED051252
+RECORD_TITLE: Cyanopeptolin 1020; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 512
+CH$NAME: Cyanopeptolin 1020
+CH$NAME: (4S)-5-(((2S,5S,8S,11R,12S,15S,18S,21R)-2-benzyl-15-(3-((diaminomethylene)amino)propyl)-21-hydroxy-5-(4-hydroxybenzyl)-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-4-hexanamido-5-oxopentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C50H72N10O13
+CH$EXACT_MASS: 1020.528032
+CH$SMILES: C[C@H]1OC([C@@H](NC([C@@H](N(C([C@@H](N2C([C@H](CC[C@H]2O)NC([C@@H](NC([C@H]1NC([C@@H](NC(CCCCC)=O)CCC(O)=O)=O)=O)CCC/N=C(N)/N)=O)=O)CC3=CC=CC=C3)=O)C)CC(C=C4)=CC=C4O)=O)C(C)C)=O
+CH$IUPAC: InChI=1S/C50H72N10O13/c1-6-7-9-16-38(62)54-34(22-24-40(64)65)44(67)58-42-29(4)73-49(72)41(28(2)3)57-45(68)36(26-31-17-19-32(61)20-18-31)59(5)48(71)37(27-30-13-10-8-11-14-30)60-39(63)23-21-35(47(60)70)56-43(66)33(55-46(42)69)15-12-25-53-50(51)52/h8,10-11,13-14,17-20,28-29,33-37,39,41-42,61,63H,6-7,9,12,15-16,21-27H2,1-5H3,(H,54,62)(H,55,69)(H,56,66)(H,57,68)(H,58,67)(H,64,65)(H4,51,52,53)/t29-,33+,34+,35+,36+,37+,39-,41+,42+/m1/s1
+CH$LINK: PUBCHEM CID:46830813
+CH$LINK: INCHIKEY NYXUAFLMUQAJPS-AYGLBTBXSA-N
+CH$LINK: CHEMSPIDER 25060986
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 106-1061
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.650 min
+MS$FOCUSED_ION: BASE_PEAK 1019.5212
+MS$FOCUSED_ION: PRECURSOR_M/Z 1019.5208
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-014i-9000000000-4684b13ab116e4ccac20
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  113.2813 H37N2O3- 1 113.281 3.03
+  774.4145 C50H54N4O4- 11 774.4151 -0.72
+  1001.5088 C50H69N10O12- 1 1001.5102 -1.41
+  1019.5203 C50H71N10O13- 1 1019.5208 -0.48
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  113.2813 2003684 50
+  774.4145 2051382.8 51
+  1001.5088 1820171 45
+  1019.5203 39586572 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED051253.txt b/Eawag/MSBNK-EAWAG-ED051253.txt
new file mode 100644
index 0000000000..1366b33bdc
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED051253.txt
@@ -0,0 +1,68 @@
+ACCESSION: MSBNK-EAWAG-ED051253
+RECORD_TITLE: Cyanopeptolin 1020; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 512
+CH$NAME: Cyanopeptolin 1020
+CH$NAME: (4S)-5-(((2S,5S,8S,11R,12S,15S,18S,21R)-2-benzyl-15-(3-((diaminomethylene)amino)propyl)-21-hydroxy-5-(4-hydroxybenzyl)-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-4-hexanamido-5-oxopentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C50H72N10O13
+CH$EXACT_MASS: 1020.528032
+CH$SMILES: C[C@H]1OC([C@@H](NC([C@@H](N(C([C@@H](N2C([C@H](CC[C@H]2O)NC([C@@H](NC([C@H]1NC([C@@H](NC(CCCCC)=O)CCC(O)=O)=O)=O)CCC/N=C(N)/N)=O)=O)CC3=CC=CC=C3)=O)C)CC(C=C4)=CC=C4O)=O)C(C)C)=O
+CH$IUPAC: InChI=1S/C50H72N10O13/c1-6-7-9-16-38(62)54-34(22-24-40(64)65)44(67)58-42-29(4)73-49(72)41(28(2)3)57-45(68)36(26-31-17-19-32(61)20-18-31)59(5)48(71)37(27-30-13-10-8-11-14-30)60-39(63)23-21-35(47(60)70)56-43(66)33(55-46(42)69)15-12-25-53-50(51)52/h8,10-11,13-14,17-20,28-29,33-37,39,41-42,61,63H,6-7,9,12,15-16,21-27H2,1-5H3,(H,54,62)(H,55,69)(H,56,66)(H,57,68)(H,58,67)(H,64,65)(H4,51,52,53)/t29-,33+,34+,35+,36+,37+,39-,41+,42+/m1/s1
+CH$LINK: PUBCHEM CID:46830813
+CH$LINK: INCHIKEY NYXUAFLMUQAJPS-AYGLBTBXSA-N
+CH$LINK: CHEMSPIDER 25060986
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 106-1061
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.650 min
+MS$FOCUSED_ION: BASE_PEAK 1019.5212
+MS$FOCUSED_ION: PRECURSOR_M/Z 1019.5208
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-014i-9000000100-b936d1953f215de3b0e1
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  113.2815 H37N2O3- 1 113.281 4.78
+  401.1821 C19H29O9- 6 401.1817 1.06
+  458.2035 C21H32NO10- 6 458.2032 0.77
+  557.2833 C40H35N3- 9 557.2836 -0.69
+  614.3046 C27H44N5O11- 10 614.3043 0.54
+  730.3885 C48H50N4O3- 12 730.3888 -0.48
+  774.415 C50H54N4O4- 10 774.4151 -0.08
+  792.4043 C39H54N9O9- 9 792.405 -0.84
+  902.4412 C45H60N9O11- 4 902.4418 -0.67
+  903.4366 C44H59N10O11- 4 903.437 -0.48
+  977.4987 C49H69N8O13- 1 977.499 -0.22
+  1001.5097 C50H69N10O12- 1 1001.5102 -0.5
+  1019.5205 C50H71N10O13- 1 1019.5208 -0.24
+PK$NUM_PEAK: 13
+PK$PEAK: m/z int. rel.int.
+  113.2815 1183056.2 49
+  401.1821 654552.6 27
+  458.2035 539395.9 22
+  557.2833 602128.8 25
+  614.3046 581706 24
+  730.3885 2096697.5 87
+  774.415 2463677.8 102
+  792.4043 1291269.8 53
+  902.4412 501743.2 20
+  903.4366 407464.7 17
+  977.4987 884707.9 36
+  1001.5097 4271874 178
+  1019.5205 23906256 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED051254.txt b/Eawag/MSBNK-EAWAG-ED051254.txt
new file mode 100644
index 0000000000..e94883413a
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED051254.txt
@@ -0,0 +1,92 @@
+ACCESSION: MSBNK-EAWAG-ED051254
+RECORD_TITLE: Cyanopeptolin 1020; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 512
+CH$NAME: Cyanopeptolin 1020
+CH$NAME: (4S)-5-(((2S,5S,8S,11R,12S,15S,18S,21R)-2-benzyl-15-(3-((diaminomethylene)amino)propyl)-21-hydroxy-5-(4-hydroxybenzyl)-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-4-hexanamido-5-oxopentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C50H72N10O13
+CH$EXACT_MASS: 1020.528032
+CH$SMILES: C[C@H]1OC([C@@H](NC([C@@H](N(C([C@@H](N2C([C@H](CC[C@H]2O)NC([C@@H](NC([C@H]1NC([C@@H](NC(CCCCC)=O)CCC(O)=O)=O)=O)CCC/N=C(N)/N)=O)=O)CC3=CC=CC=C3)=O)C)CC(C=C4)=CC=C4O)=O)C(C)C)=O
+CH$IUPAC: InChI=1S/C50H72N10O13/c1-6-7-9-16-38(62)54-34(22-24-40(64)65)44(67)58-42-29(4)73-49(72)41(28(2)3)57-45(68)36(26-31-17-19-32(61)20-18-31)59(5)48(71)37(27-30-13-10-8-11-14-30)60-39(63)23-21-35(47(60)70)56-43(66)33(55-46(42)69)15-12-25-53-50(51)52/h8,10-11,13-14,17-20,28-29,33-37,39,41-42,61,63H,6-7,9,12,15-16,21-27H2,1-5H3,(H,54,62)(H,55,69)(H,56,66)(H,57,68)(H,58,67)(H,64,65)(H4,51,52,53)/t29-,33+,34+,35+,36+,37+,39-,41+,42+/m1/s1
+CH$LINK: PUBCHEM CID:46830813
+CH$LINK: INCHIKEY NYXUAFLMUQAJPS-AYGLBTBXSA-N
+CH$LINK: CHEMSPIDER 25060986
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 106-1061
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.650 min
+MS$FOCUSED_ION: BASE_PEAK 1019.5212
+MS$FOCUSED_ION: PRECURSOR_M/Z 1019.5208
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0gb9-9000110402-564aee59ee29b6835a88
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  113.2813 H37N2O3- 1 113.281 3.03
+  127.0512 C5H7N2O2- 1 127.0513 -0.58
+  128.0352 C5H6NO3- 1 128.0353 -1.29
+  167.0457 C7H7N2O3- 1 167.0462 -2.96
+  210.0876 C7H10N6O2- 2 210.0871 2.49
+  243.1339 C9H17N5O3- 2 243.1337 0.76
+  323.1398 C19H19N2O3- 5 323.1401 -0.93
+  345.1561 C16H25O8- 5 345.1555 1.87
+  401.1821 C19H29O9- 6 401.1817 1.06
+  458.2036 C21H32NO10- 6 458.2032 0.84
+  501.2576 C23H33N8O5- 8 501.2579 -0.64
+  544.3252 C27H42N7O5- 7 544.3253 -0.08
+  557.2831 C40H35N3- 8 557.2836 -1.01
+  664.2983 C37H40N6O6- 10 664.3015 -4.85
+  730.3887 C48H50N4O3- 12 730.3888 -0.22
+  774.4145 C50H54N4O4- 11 774.4151 -0.72
+  775.3797 C42H49N9O6- 6 775.3811 -1.91
+  792.4046 C39H54N9O9- 8 792.405 -0.45
+  861.4129 C38H57N10O13- 4 861.4112 1.92
+  886.4119 C44H56N9O11- 5 886.4105 1.56
+  902.4414 C45H60N9O11- 5 902.4418 -0.4
+  903.4371 C44H59N10O11- 4 903.437 0.13
+  977.4991 C49H69N8O13- 1 977.499 0.16
+  1001.5101 C50H69N10O12- 1 1001.5102 -0.13
+  1019.5203 C50H71N10O13- 1 1019.5208 -0.42
+PK$NUM_PEAK: 25
+PK$PEAK: m/z int. rel.int.
+  113.2813 333553.6 50
+  127.0512 284308.6 42
+  128.0352 181700.8 27
+  167.0457 91880.9 13
+  210.0876 143878.9 21
+  243.1339 92576.8 13
+  323.1398 151296.3 22
+  345.1561 291224.6 43
+  401.1821 974758.8 146
+  458.2036 813635.1 122
+  501.2576 126440.7 19
+  544.3252 235131.6 35
+  557.2831 1010732.5 152
+  664.2983 237190.4 35
+  730.3887 1252519.6 188
+  774.4145 499517.9 75
+  775.3797 424508.1 63
+  792.4046 2060415.5 310
+  861.4129 237973 35
+  886.4119 158048.7 23
+  902.4414 391243.6 58
+  903.4371 987734.1 148
+  977.4991 888120.1 133
+  1001.5101 2376329 357
+  1019.5203 6639532 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED051255.txt b/Eawag/MSBNK-EAWAG-ED051255.txt
new file mode 100644
index 0000000000..85734bc3bf
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED051255.txt
@@ -0,0 +1,210 @@
+ACCESSION: MSBNK-EAWAG-ED051255
+RECORD_TITLE: Cyanopeptolin 1020; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 512
+CH$NAME: Cyanopeptolin 1020
+CH$NAME: (4S)-5-(((2S,5S,8S,11R,12S,15S,18S,21R)-2-benzyl-15-(3-((diaminomethylene)amino)propyl)-21-hydroxy-5-(4-hydroxybenzyl)-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-4-hexanamido-5-oxopentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C50H72N10O13
+CH$EXACT_MASS: 1020.528032
+CH$SMILES: C[C@H]1OC([C@@H](NC([C@@H](N(C([C@@H](N2C([C@H](CC[C@H]2O)NC([C@@H](NC([C@H]1NC([C@@H](NC(CCCCC)=O)CCC(O)=O)=O)=O)CCC/N=C(N)/N)=O)=O)CC3=CC=CC=C3)=O)C)CC(C=C4)=CC=C4O)=O)C(C)C)=O
+CH$IUPAC: InChI=1S/C50H72N10O13/c1-6-7-9-16-38(62)54-34(22-24-40(64)65)44(67)58-42-29(4)73-49(72)41(28(2)3)57-45(68)36(26-31-17-19-32(61)20-18-31)59(5)48(71)37(27-30-13-10-8-11-14-30)60-39(63)23-21-35(47(60)70)56-43(66)33(55-46(42)69)15-12-25-53-50(51)52/h8,10-11,13-14,17-20,28-29,33-37,39,41-42,61,63H,6-7,9,12,15-16,21-27H2,1-5H3,(H,54,62)(H,55,69)(H,56,66)(H,57,68)(H,58,67)(H,64,65)(H4,51,52,53)/t29-,33+,34+,35+,36+,37+,39-,41+,42+/m1/s1
+CH$LINK: PUBCHEM CID:46830813
+CH$LINK: INCHIKEY NYXUAFLMUQAJPS-AYGLBTBXSA-N
+CH$LINK: CHEMSPIDER 25060986
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 106-1061
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.650 min
+MS$FOCUSED_ION: BASE_PEAK 1019.5212
+MS$FOCUSED_ION: PRECURSOR_M/Z 1019.5208
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-01tc-0941011000-94eef3e55034d8df5c73
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  107.0503 C7H7O- 1 107.0502 0.19
+  109.0407 C5H5N2O- 1 109.0407 -0.13
+  110.0249 C5H4NO2- 1 110.0248 1.23
+  111.0562 C5H7N2O- 1 111.0564 -1.67
+  112.0406 C5H6NO2- 1 112.0404 1.99
+  114.0924 C6H12NO- 1 114.0924 -0.71
+  115.0766 C6H11O2- 1 115.0765 0.91
+  116.0716 C5H10NO2- 1 116.0717 -0.54
+  119.0502 C8H7O- 1 119.0502 -0.32
+  123.0564 C6H7N2O- 1 123.0564 0.01
+  124.0405 C6H6NO2- 1 124.0404 0.63
+  125.0357 C5H5N2O2- 1 125.0357 0.78
+  127.0512 C5H7N2O2- 1 127.0513 -0.58
+  128.0352 C5H6NO3- 1 128.0353 -0.57
+  130.0986 C5H12N3O- 1 130.0986 0.47
+  136.0399 C7H6NO2- 1 136.0404 -3.42
+  136.0516 C6H6N3O- 1 136.0516 -0.52
+  136.0765 C8H10NO- 1 136.0768 -2.02
+  139.0511 C6H7N2O2- 1 139.0513 -1.56
+  140.0354 C6H6NO3- 1 140.0353 0.29
+  141.0669 C6H9N2O2- 1 141.067 -0.68
+  141.1032 C7H13N2O- 1 141.1033 -0.74
+  142.0507 C6H8NO3- 1 142.051 -1.55
+  145.0618 C5H9N2O3- 1 145.0619 -0.26
+  149.0714 C8H9N2O- 2 149.072 -4.55
+  150.0558 C8H8NO2- 1 150.0561 -1.7
+  154.0617 C6H8N3O2- 1 154.0622 -3.16
+  155.094 C6H11N4O- 1 155.0938 0.98
+  156.0773 C6H10N3O2- 2 156.0779 -3.84
+  160.0764 C10H10NO- 1 160.0768 -2.66
+  162.0556 C9H8NO2- 1 162.0561 -2.77
+  165.1027 C9H13N2O- 2 165.1033 -3.56
+  166.0614 C7H8N3O2- 2 166.0622 -4.53
+  166.0984 C8H12N3O- 1 166.0986 -1.36
+  167.0457 C7H7N2O3- 2 167.0462 -3.14
+  167.0821 C6H9N5O- 2 167.0813 4.75
+  170.0929 C7H12N3O2- 2 170.0935 -3.34
+  171.1136 C8H15N2O2- 1 171.1139 -1.59
+  172.12 C6H14N5O- 1 172.1204 -1.98
+  183.0773 C8H11N2O3- 1 183.0775 -1.36
+  184.0721 C7H10N3O3- 2 184.0728 -3.59
+  185.0557 C5H7N5O3- 1 185.0554 1.56
+  186.0552 C9H6N4O- 2 186.0547 2.41
+  192.0774 C9H10N3O2- 2 192.0779 -2.35
+  193.0612 C7H7N5O2- 2 193.0605 3.47
+  194.0824 C10H12NO3- 1 194.0823 0.78
+  195.0892 C8H11N4O2- 2 195.0887 2.12
+  203.0822 C11H11N2O2- 2 203.0826 -1.98
+  209.0923 C8H11N5O2- 2 209.0918 2.47
+  210.0876 C7H10N6O2- 2 210.0871 2.49
+  216.1025 C13H14NO2- 2 216.103 -2.13
+  217.0973 C10H11N5O- 2 217.0969 1.63
+  218.0927 C11H12N3O2- 2 218.0935 -3.89
+  221.1037 C10H13N4O2- 3 221.1044 -2.97
+  223.1193 C10H15N4O2- 3 223.12 -3.48
+  226.1071 C9H14N4O3- 1 226.1071 -0.19
+  228.0992 C9H14N3O4- 1 228.099 0.86
+  229.1407 C7H21N2O6- 3 229.1405 0.87
+  238.1307 C10H16N5O2- 3 238.1309 -1.18
+  241.095 C10H9N8- 3 241.0956 -2.37
+  241.1311 C10H17N4O3- 2 241.1306 2.12
+  242.0822 C14H12NO3- 2 242.0823 -0.31
+  243.1326 C9H17N5O3- 3 243.1337 -4.32
+  246.124 C13H16N3O2- 2 246.1248 -3.37
+  251.1141 C10H19O7- 3 251.1136 2.07
+  260.1034 C13H14N3O3- 2 260.1041 -2.57
+  270.1938 C12H24N5O2- 2 270.1935 0.8
+  272.1394 H24N4O12- 3 272.1396 -0.65
+  274.1197 C14H16N3O3- 3 274.1197 -0.17
+  283.1524 C11H19N6O3- 4 283.1524 0.12
+  293.1501 C15H21N2O4- 3 293.1507 -1.99
+  345.156 C16H25O8- 5 345.1555 1.6
+  373.1973 CH29N10O12- 6 373.1972 0.33
+  390.2255 C3H34N8O13- 6 390.2251 1.15
+  440.2182 C22H28N6O4- 6 440.2178 1.02
+  444.2369 C22H36O9- 7 444.2365 1.03
+  516.2574 C24H34N7O6- 8 516.2576 -0.48
+  535.2562 C29H35N4O6- 7 535.2562 0.01
+  557.2833 C40H35N3- 9 557.2836 -0.69
+  614.3045 C27H44N5O11- 10 614.3043 0.35
+  692.3421 C37H48N4O9- 11 692.3427 -0.81
+  775.3796 C42H49N9O6- 7 775.3811 -1.98
+  903.4363 C44H59N10O11- 3 903.437 -0.81
+  1019.5233 C50H71N10O13- 1 1019.5208 2.46
+PK$NUM_PEAK: 84
+PK$PEAK: m/z int. rel.int.
+  107.0503 42013.2 45
+  109.0407 46407.9 49
+  110.0249 53372.4 57
+  111.0562 45852.6 49
+  112.0406 44929.6 48
+  114.0924 52629.4 56
+  115.0766 48746.3 52
+  116.0716 396910.2 426
+  119.0502 160470.5 172
+  123.0564 30379.4 32
+  124.0405 112864.1 121
+  125.0357 89141.2 95
+  127.0512 930686.6 999
+  128.0352 802848.3 861
+  130.0986 34334.2 36
+  136.0399 28719.2 30
+  136.0516 99542.3 106
+  136.0765 20323.6 21
+  139.0511 35069 37
+  140.0354 96663.4 103
+  141.0669 75088.9 80
+  141.1032 52325.8 56
+  142.0507 125144.3 134
+  145.0618 16011.6 17
+  149.0714 130402.5 139
+  150.0558 82948.2 89
+  154.0617 30516.8 32
+  155.094 27258.6 29
+  156.0773 33354.6 35
+  160.0764 223574.3 239
+  162.0556 111019.8 119
+  165.1027 113978 122
+  166.0614 69110.7 74
+  166.0984 44911.4 48
+  167.0457 179215.5 192
+  167.0821 155364.8 166
+  170.0929 85447 91
+  171.1136 78080.9 83
+  172.12 88522.4 95
+  183.0773 45839.9 49
+  184.0721 327915.2 351
+  185.0557 67670.8 72
+  186.0552 88543.1 95
+  192.0774 359434.2 385
+  193.0612 108516.3 116
+  194.0824 43350.1 46
+  195.0892 208821.2 224
+  203.0822 125376.2 134
+  209.0923 68192.5 73
+  210.0876 393722.6 422
+  216.1025 15018.9 16
+  217.0973 170565.4 183
+  218.0927 38097.7 40
+  221.1037 29978.6 32
+  223.1193 52816.3 56
+  226.1071 103728.2 111
+  228.0992 55175.2 59
+  229.1407 193573.7 207
+  238.1307 114151 122
+  241.095 51078 54
+  241.1311 60701.6 65
+  242.0822 55633.5 59
+  243.1326 74642.9 80
+  246.124 113748.6 122
+  251.1141 204818.8 219
+  260.1034 120404.7 129
+  270.1938 58202.2 62
+  272.1394 141320 151
+  274.1197 75037.5 80
+  283.1524 110461.6 118
+  293.1501 655143.2 703
+  345.156 416791.9 447
+  373.1973 57985 62
+  390.2255 216562.1 232
+  440.2182 172711.8 185
+  444.2369 35283.8 37
+  516.2574 165908.1 178
+  535.2562 309412.7 332
+  557.2833 287189.5 308
+  614.3045 568363.5 610
+  692.3421 256253.2 275
+  775.3796 201668.7 216
+  903.4363 95036 102
+  1019.5233 37654.5 40
+//
diff --git a/Eawag/MSBNK-EAWAG-ED051256.txt b/Eawag/MSBNK-EAWAG-ED051256.txt
new file mode 100644
index 0000000000..2c3b070f05
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED051256.txt
@@ -0,0 +1,276 @@
+ACCESSION: MSBNK-EAWAG-ED051256
+RECORD_TITLE: Cyanopeptolin 1020; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 512
+CH$NAME: Cyanopeptolin 1020
+CH$NAME: (4S)-5-(((2S,5S,8S,11R,12S,15S,18S,21R)-2-benzyl-15-(3-((diaminomethylene)amino)propyl)-21-hydroxy-5-(4-hydroxybenzyl)-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-4-hexanamido-5-oxopentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C50H72N10O13
+CH$EXACT_MASS: 1020.528032
+CH$SMILES: C[C@H]1OC([C@@H](NC([C@@H](N(C([C@@H](N2C([C@H](CC[C@H]2O)NC([C@@H](NC([C@H]1NC([C@@H](NC(CCCCC)=O)CCC(O)=O)=O)=O)CCC/N=C(N)/N)=O)=O)CC3=CC=CC=C3)=O)C)CC(C=C4)=CC=C4O)=O)C(C)C)=O
+CH$IUPAC: InChI=1S/C50H72N10O13/c1-6-7-9-16-38(62)54-34(22-24-40(64)65)44(67)58-42-29(4)73-49(72)41(28(2)3)57-45(68)36(26-31-17-19-32(61)20-18-31)59(5)48(71)37(27-30-13-10-8-11-14-30)60-39(63)23-21-35(47(60)70)56-43(66)33(55-46(42)69)15-12-25-53-50(51)52/h8,10-11,13-14,17-20,28-29,33-37,39,41-42,61,63H,6-7,9,12,15-16,21-27H2,1-5H3,(H,54,62)(H,55,69)(H,56,66)(H,57,68)(H,58,67)(H,64,65)(H4,51,52,53)/t29-,33+,34+,35+,36+,37+,39-,41+,42+/m1/s1
+CH$LINK: PUBCHEM CID:46830813
+CH$LINK: INCHIKEY NYXUAFLMUQAJPS-AYGLBTBXSA-N
+CH$LINK: CHEMSPIDER 25060986
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 106-1061
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.650 min
+MS$FOCUSED_ION: BASE_PEAK 1019.5212
+MS$FOCUSED_ION: PRECURSOR_M/Z 1019.5208
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00or-0920000000-e3ef7d385ea405c51e28
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  106.0423 C7H6O- 1 106.0424 -1.32
+  107.0502 C7H7O- 1 107.0502 -0.66
+  109.0407 C5H5N2O- 1 109.0407 -0.2
+  110.0249 C5H4NO2- 1 110.0248 1.16
+  111.0201 C4H3N2O2- 1 111.02 0.61
+  111.0564 C5H7N2O- 1 111.0564 0.05
+  112.0283 C4H4N2O2- 1 112.0278 4.33
+  112.0407 C5H6NO2- 1 112.0404 2.74
+  113.0356 C4H5N2O2- 1 113.0357 -0.39
+  113.072 C5H9N2O- 1 113.072 -0.2
+  114.0924 C6H12NO- 1 114.0924 0.02
+  115.0763 C6H11O2- 1 115.0765 -1.27
+  116.0716 C5H10NO2- 1 116.0717 -0.74
+  118.0662 C8H8N- 1 118.0662 -0.28
+  119.0501 C8H7O- 1 119.0502 -0.77
+  122.0611 C7H8NO- 1 122.0611 0.04
+  123.0562 C6H7N2O- 1 123.0564 -1.91
+  123.0926 C7H11N2- 1 123.0928 -1.17
+  124.0402 C6H6NO2- 1 124.0404 -1.65
+  124.0511 C5H6N3O- 1 124.0516 -4.32
+  125.0354 C5H5N2O2- 1 125.0357 -1.66
+  126.044 C5H6N2O2- 1 126.0435 3.88
+  127.0512 C5H7N2O2- 1 127.0513 -0.94
+  128.0352 C5H6NO3- 1 128.0353 -0.93
+  130.0618 C4H8N3O2- 1 130.0622 -2.75
+  130.0986 C5H12N3O- 1 130.0986 0.12
+  131.0826 C5H11N2O2- 1 131.0826 0.25
+  135.0564 C7H7N2O- 1 135.0564 0.27
+  136.0399 C7H6NO2- 1 136.0404 -3.64
+  136.0516 C6H6N3O- 1 136.0516 -0.19
+  137.0719 C7H9N2O- 1 137.072 -1.24
+  137.1081 C8H13N2- 1 137.1084 -2.08
+  138.0436 C6H6N2O2- 1 138.0435 0.68
+  138.0669 C6H8N3O- 1 138.0673 -3.13
+  139.051 C6H7N2O2- 1 139.0513 -1.89
+  140.0354 C6H6NO3- 1 140.0353 0.39
+  140.0829 C6H10N3O- 1 140.0829 -0.45
+  141.0666 C6H9N2O2- 1 141.067 -2.63
+  141.103 C7H13N2O- 1 141.1033 -2.36
+  142.0506 C6H8NO3- 1 142.051 -2.3
+  143.1189 C7H15N2O- 1 143.119 -0.41
+  145.0294 C9H5O2- 1 145.0295 -1
+  145.0615 C5H9N2O3- 1 145.0619 -2.78
+  147.0452 C9H7O2- 1 147.0452 0.59
+  148.0769 C9H10NO- 1 148.0768 0.49
+  149.0718 C8H9N2O- 1 149.072 -1.38
+  150.0553 C8H8NO2- 2 150.0561 -4.75
+  151.0514 C7H7N2O2- 1 151.0513 0.59
+  152.0833 C7H10N3O- 1 152.0829 2.59
+  152.1193 C8H14N3- 1 152.1193 -0.08
+  154.0621 C6H8N3O2- 1 154.0622 -0.69
+  154.0866 C6H10N4O- 1 154.086 3.53
+  154.1234 C9H16NO- 1 154.1237 -2.27
+  156.0776 C6H10N3O2- 1 156.0779 -1.89
+  158.0931 C6H12N3O2- 1 158.0935 -2.66
+  160.0763 C10H10NO- 1 160.0768 -2.85
+  162.0556 C9H8NO2- 1 162.0561 -2.77
+  165.1027 C9H13N2O- 2 165.1033 -3.84
+  166.0616 C7H8N3O2- 2 166.0622 -3.42
+  166.0978 C8H12N3O- 2 166.0986 -4.58
+  167.0456 C7H7N2O3- 2 167.0462 -3.42
+  167.0817 C6H9N5O- 1 167.0813 2.74
+  168.0772 C7H10N3O2- 2 168.0779 -3.76
+  168.1142 C8H14N3O- 1 168.1142 -0.18
+  170.093 C7H12N3O2- 2 170.0935 -3.16
+  171.1134 C8H15N2O2- 2 171.1139 -2.93
+  172.0768 C11H10NO- 1 172.0768 0.07
+  172.1205 C6H14N5O- 1 172.1204 0.5
+  174.0556 C10H8NO2- 1 174.0561 -2.58
+  175.0868 C10H11N2O- 2 175.0877 -4.9
+  183.0766 C8H11N2O3- 2 183.0775 -4.94
+  184.0721 C7H10N3O3- 2 184.0728 -3.59
+  185.0559 C5H7N5O3- 2 185.0554 2.63
+  186.0554 C11H8NO2- 2 186.0561 -3.33
+  187.1205 C7H15N4O2- 2 187.12 2.46
+  192.0772 C9H10N3O2- 2 192.0779 -3.38
+  193.0609 C7H7N5O2- 1 193.0605 1.89
+  194.1054 C8H12N5O- 2 194.1047 3.19
+  197.1039 C8H13N4O2- 3 197.1044 -2.76
+  198.0869 C6H10N6O2- 1 198.0871 -0.93
+  199.1448 C10H19N2O2- 2 199.1452 -1.82
+  203.0819 C11H11N2O2- 2 203.0826 -3.64
+  210.0875 C7H10N6O2- 2 210.0871 2.05
+  212.1158 C8H14N5O2- 2 212.1153 2.54
+  213.0668 C12H9N2O2- 1 213.067 -0.74
+  213.0994 C8H13N4O3- 1 213.0993 0.49
+  213.1351 C9H17N4O2- 3 213.1357 -2.77
+  215.0817 C10H9N5O- 2 215.0813 1.84
+  217.0975 C10H11N5O- 2 217.0969 2.54
+  218.0943 C11H12N3O2- 2 218.0935 3.67
+  218.1179 C11H14N4O- 2 218.1173 2.73
+  223.0834 C9H11N4O3- 3 223.0837 -1.05
+  223.1199 C10H15N4O2- 1 223.12 -0.74
+  228.1711 C11H22N3O2- 2 228.1718 -2.83
+  229.1412 C7H21N2O6- 3 229.1405 2.93
+  232.0843 C10H10N5O2- 2 232.084 1.22
+  234.124 C10H14N6O- 2 234.1235 2.18
+  236.1397 C12H18N3O2- 2 236.1405 -3.37
+  238.1303 C10H16N5O2- 3 238.1309 -2.78
+  241.0948 C10H9N8- 3 241.0956 -3.32
+  241.1308 C10H17N4O3- 2 241.1306 0.92
+  244.1412 C9H18N5O3- 3 244.1415 -1.42
+  246.1239 C13H16N3O2- 2 246.1248 -3.68
+  248.1404 C13H18N3O2- 2 248.1405 -0.06
+  251.1139 C10H19O7- 3 251.1136 1.16
+  259.0726 C13H11N2O4- 2 259.0724 0.67
+  260.1043 C13H14N3O3- 2 260.1041 0.84
+  281.1251 C12H17N4O4- 3 281.1255 -1.63
+  282.1457 C13H20N3O4- 2 282.1459 -0.81
+  293.1499 C15H21N2O4- 3 293.1507 -2.62
+  298.1509 C11H24NO8- 3 298.1507 0.7
+  305.1297 C19H17N2O2- 6 305.1296 0.59
+  323.1398 C19H19N2O3- 5 323.1401 -1.12
+  341.1604 C16H19N7O2- 7 341.1606 -0.56
+  345.1563 C17H21N4O4- 5 345.1568 -1.57
+  390.2256 C3H34N8O13- 6 390.2251 1.23
+  516.2574 C24H34N7O6- 8 516.2576 -0.48
+PK$NUM_PEAK: 117
+PK$PEAK: m/z int. rel.int.
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+  107.0502 97585.9 85
+  109.0407 102875 90
+  110.0249 78403.8 68
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+  390.2256 150034.7 131
+  516.2574 67286.9 58
+//
diff --git a/Eawag/MSBNK-EAWAG-ED051257.txt b/Eawag/MSBNK-EAWAG-ED051257.txt
new file mode 100644
index 0000000000..12c6f90c86
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED051257.txt
@@ -0,0 +1,222 @@
+ACCESSION: MSBNK-EAWAG-ED051257
+RECORD_TITLE: Cyanopeptolin 1020; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 512
+CH$NAME: Cyanopeptolin 1020
+CH$NAME: (4S)-5-(((2S,5S,8S,11R,12S,15S,18S,21R)-2-benzyl-15-(3-((diaminomethylene)amino)propyl)-21-hydroxy-5-(4-hydroxybenzyl)-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-4-hexanamido-5-oxopentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C50H72N10O13
+CH$EXACT_MASS: 1020.528032
+CH$SMILES: C[C@H]1OC([C@@H](NC([C@@H](N(C([C@@H](N2C([C@H](CC[C@H]2O)NC([C@@H](NC([C@H]1NC([C@@H](NC(CCCCC)=O)CCC(O)=O)=O)=O)CCC/N=C(N)/N)=O)=O)CC3=CC=CC=C3)=O)C)CC(C=C4)=CC=C4O)=O)C(C)C)=O
+CH$IUPAC: InChI=1S/C50H72N10O13/c1-6-7-9-16-38(62)54-34(22-24-40(64)65)44(67)58-42-29(4)73-49(72)41(28(2)3)57-45(68)36(26-31-17-19-32(61)20-18-31)59(5)48(71)37(27-30-13-10-8-11-14-30)60-39(63)23-21-35(47(60)70)56-43(66)33(55-46(42)69)15-12-25-53-50(51)52/h8,10-11,13-14,17-20,28-29,33-37,39,41-42,61,63H,6-7,9,12,15-16,21-27H2,1-5H3,(H,54,62)(H,55,69)(H,56,66)(H,57,68)(H,58,67)(H,64,65)(H4,51,52,53)/t29-,33+,34+,35+,36+,37+,39-,41+,42+/m1/s1
+CH$LINK: PUBCHEM CID:46830813
+CH$LINK: INCHIKEY NYXUAFLMUQAJPS-AYGLBTBXSA-N
+CH$LINK: CHEMSPIDER 25060986
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 106-1061
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.650 min
+MS$FOCUSED_ION: BASE_PEAK 1019.5212
+MS$FOCUSED_ION: PRECURSOR_M/Z 1019.5208
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00or-0900000000-c514ec514ebf62d36230
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  106.0424 C7H6O- 1 106.0424 -0.24
+  107.0501 C7H7O- 1 107.0502 -0.87
+  109.0407 C5H5N2O- 1 109.0407 -0.13
+  110.0247 C5H4NO2- 1 110.0248 -0.43
+  111.0199 C4H3N2O2- 1 111.02 -0.56
+  111.0563 C5H7N2O- 1 111.0564 -0.36
+  112.028 C4H4N2O2- 1 112.0278 1.26
+  112.0402 C5H6NO2- 1 112.0404 -1.69
+  113.0355 C4H5N2O2- 1 113.0357 -1
+  113.0718 C5H9N2O- 1 113.072 -2.02
+  114.0924 C6H12NO- 1 114.0924 -0.18
+  115.0764 C6H11O2- 1 115.0765 -0.48
+  116.0503 C8H6N- 1 116.0506 -2.22
+  116.0716 C5H10NO2- 1 116.0717 -0.54
+  118.0664 C8H8N- 1 118.0662 1.53
+  119.0501 C8H7O- 1 119.0502 -0.9
+  121.0408 C6H5N2O- 1 121.0407 0.31
+  123.0561 C6H7N2O- 1 123.0564 -1.97
+  124.0403 C6H6NO2- 1 124.0404 -1.16
+  125.0356 C5H5N2O2- 1 125.0357 -0.44
+  126.0433 C5H6N2O2- 1 126.0435 -1.02
+  127.0512 C5H7N2O2- 1 127.0513 -0.76
+  128.0352 C5H6NO3- 1 128.0353 -1.17
+  130.0619 C4H8N3O2- 1 130.0622 -2.28
+  130.0984 C5H12N3O- 1 130.0986 -1.17
+  131.0826 C5H11N2O2- 1 131.0826 0.13
+  136.0402 C7H6NO2- 1 136.0404 -1.4
+  136.0517 C6H6N3O- 1 136.0516 0.49
+  136.0763 C8H10NO- 1 136.0768 -3.37
+  137.0717 C7H9N2O- 1 137.072 -2.8
+  138.0433 C6H6N2O2- 1 138.0435 -1.2
+  138.0671 C6H8N3O- 1 138.0673 -1.69
+  138.1041 C7H12N3- 1 138.1037 2.78
+  139.051 C6H7N2O2- 1 139.0513 -2.11
+  139.0877 C7H11N2O- 1 139.0877 0.02
+  140.0826 C6H10N3O- 1 140.0829 -2.09
+  141.0667 C6H9N2O2- 1 141.067 -1.44
+  141.1029 C7H13N2O- 1 141.1033 -2.8
+  142.0508 C6H8NO3- 1 142.051 -1.12
+  142.0629 C7H10O3- 2 142.0635 -4.47
+  144.114 C6H14N3O- 1 144.1142 -1.7
+  145.0298 C9H5O2- 1 145.0295 1.95
+  145.0616 C5H9N2O3- 1 145.0619 -1.83
+  148.0765 C9H10NO- 1 148.0768 -1.98
+  149.0717 C8H9N2O- 1 149.072 -2.51
+  150.0686 C9H10O2- 1 150.0686 -0.19
+  151.0512 C7H7N2O2- 1 151.0513 -0.42
+  152.0827 C7H10N3O- 1 152.0829 -1.63
+  153.0306 C6H5N2O3- 1 153.0306 0.01
+  153.0664 C7H9N2O2- 1 153.067 -3.64
+  154.0616 C6H8N3O2- 2 154.0622 -3.76
+  154.1233 C9H16NO- 1 154.1237 -3.16
+  155.082 C7H11N2O2- 2 155.0826 -3.92
+  156.0774 C6H10N3O2- 1 156.0779 -3.16
+  158.0936 C6H12N3O2- 1 158.0935 0.42
+  160.0764 C10H10NO- 1 160.0768 -2.47
+  162.0555 C9H8NO2- 1 162.0561 -3.24
+  166.0617 C7H8N3O2- 1 166.0622 -2.96
+  166.0983 C8H12N3O- 1 166.0986 -1.82
+  167.046 C7H7N2O3- 1 167.0462 -1.5
+  167.0815 C6H9N5O- 1 167.0813 1.55
+  168.0774 C7H10N3O2- 1 168.0779 -2.39
+  168.114 C8H14N3O- 1 168.1142 -1.36
+  169.1097 C7H13N4O- 1 169.1095 1.42
+  170.0931 C7H12N3O2- 1 170.0935 -2.45
+  172.12 C6H14N5O- 1 172.1204 -2.15
+  177.1026 C8H11N5- 2 177.102 3.19
+  180.0774 C8H10N3O2- 2 180.0779 -2.55
+  180.1138 C9H14N3O- 2 180.1142 -2.51
+  181.097 C7H11N5O- 1 181.0969 0.55
+  184.072 C7H10N3O3- 2 184.0728 -4
+  186.0557 C11H8NO2- 1 186.0561 -1.69
+  187.1197 C7H15N4O2- 1 187.12 -1.7
+  192.0772 C9H10N3O2- 2 192.0779 -3.23
+  196.1077 C7H12N6O- 1 196.1078 -0.47
+  197.1042 C8H13N4O2- 1 197.1044 -0.82
+  201.1352 C7H21O6- 3 201.1344 4.13
+  211.1302 C7H19N2O5- 2 211.1299 1.12
+  213.0986 C8H13N4O3- 3 213.0993 -3.45
+  215.082 C10H9N5O- 2 215.0813 3.47
+  217.097 C10H11N5O- 1 217.0969 0.5
+  218.1175 C11H14N4O- 1 218.1173 1.06
+  223.1192 C10H15N4O2- 3 223.12 -3.69
+  229.1406 C7H21N2O6- 2 229.1405 0.33
+  232.0842 C10H10N5O2- 2 232.084 1.02
+  234.1232 C10H14N6O- 3 234.1235 -1.01
+  236.1406 C12H18N3O2- 2 236.1405 0.77
+  241.131 C10H17N4O3- 2 241.1306 1.75
+  273.1109 C12H13N6O2- 2 273.1105 1.44
+  293.1497 C15H21N2O4- 3 293.1507 -3.24
+PK$NUM_PEAK: 90
+PK$PEAK: m/z int. rel.int.
+  106.0424 53288.9 52
+  107.0501 90579.3 89
+  109.0407 135499.5 134
+  110.0247 58764.6 58
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+  112.0402 74329.6 73
+  113.0355 137889.7 136
+  113.0718 85326.2 84
+  114.0924 136100.4 134
+  115.0764 42734.7 42
+  116.0503 50009.1 49
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+  118.0664 33892.9 33
+  119.0501 534338.9 529
+  121.0408 26906.1 26
+  123.0561 110461.1 109
+  124.0403 219087.2 217
+  125.0356 497899.2 493
+  126.0433 96620.3 95
+  127.0512 840045.7 832
+  128.0352 744787.6 738
+  130.0619 58800.2 58
+  130.0984 224060.3 222
+  131.0826 44826 44
+  136.0402 29702.2 29
+  136.0517 78061.2 77
+  136.0763 21496 21
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+  138.0433 28899.2 28
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+  139.0877 37223.8 36
+  140.0826 75708.7 75
+  141.0667 158599.8 157
+  141.1029 173851.9 172
+  142.0508 47015.5 46
+  142.0629 22664 22
+  144.114 25306 25
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+  148.0765 38895.9 38
+  149.0717 175937.5 174
+  150.0686 17787.8 17
+  151.0512 24556.1 24
+  152.0827 154048.7 152
+  153.0306 22148.8 21
+  153.0664 76063.7 75
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+  168.0774 88976.1 88
+  168.114 42608.5 42
+  169.1097 142336 141
+  170.0931 254706.1 252
+  172.12 41961.8 41
+  177.1026 31278.4 31
+  180.0774 42554.4 42
+  180.1138 39141.7 38
+  181.097 28344.5 28
+  184.072 232897.9 230
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+  187.1197 1007791.1 999
+  192.0772 282364.9 279
+  196.1077 102766.4 101
+  197.1042 57748.2 57
+  201.1352 65419 64
+  211.1302 62240.7 61
+  213.0986 57088.1 56
+  215.082 29918.8 29
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+  218.1175 147333.5 146
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+  229.1406 134257.1 133
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+  236.1406 40778.9 40
+  241.131 36726.7 36
+  273.1109 23470.8 23
+  293.1497 75838.7 75
+//
diff --git a/Eawag/MSBNK-EAWAG-ED051258.txt b/Eawag/MSBNK-EAWAG-ED051258.txt
new file mode 100644
index 0000000000..b71e9c010d
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED051258.txt
@@ -0,0 +1,182 @@
+ACCESSION: MSBNK-EAWAG-ED051258
+RECORD_TITLE: Cyanopeptolin 1020; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 512
+CH$NAME: Cyanopeptolin 1020
+CH$NAME: (4S)-5-(((2S,5S,8S,11R,12S,15S,18S,21R)-2-benzyl-15-(3-((diaminomethylene)amino)propyl)-21-hydroxy-5-(4-hydroxybenzyl)-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-4-hexanamido-5-oxopentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C50H72N10O13
+CH$EXACT_MASS: 1020.528032
+CH$SMILES: C[C@H]1OC([C@@H](NC([C@@H](N(C([C@@H](N2C([C@H](CC[C@H]2O)NC([C@@H](NC([C@H]1NC([C@@H](NC(CCCCC)=O)CCC(O)=O)=O)=O)CCC/N=C(N)/N)=O)=O)CC3=CC=CC=C3)=O)C)CC(C=C4)=CC=C4O)=O)C(C)C)=O
+CH$IUPAC: InChI=1S/C50H72N10O13/c1-6-7-9-16-38(62)54-34(22-24-40(64)65)44(67)58-42-29(4)73-49(72)41(28(2)3)57-45(68)36(26-31-17-19-32(61)20-18-31)59(5)48(71)37(27-30-13-10-8-11-14-30)60-39(63)23-21-35(47(60)70)56-43(66)33(55-46(42)69)15-12-25-53-50(51)52/h8,10-11,13-14,17-20,28-29,33-37,39,41-42,61,63H,6-7,9,12,15-16,21-27H2,1-5H3,(H,54,62)(H,55,69)(H,56,66)(H,57,68)(H,58,67)(H,64,65)(H4,51,52,53)/t29-,33+,34+,35+,36+,37+,39-,41+,42+/m1/s1
+CH$LINK: PUBCHEM CID:46830813
+CH$LINK: INCHIKEY NYXUAFLMUQAJPS-AYGLBTBXSA-N
+CH$LINK: CHEMSPIDER 25060986
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 106-1061
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.650 min
+MS$FOCUSED_ION: BASE_PEAK 1019.5212
+MS$FOCUSED_ION: PRECURSOR_M/Z 1019.5208
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-016r-0900000000-182fada2b9ffd7103e97
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  106.0425 C7H6O- 1 106.0424 0.48
+  107.0502 C7H7O- 1 107.0502 0.05
+  109.0407 C5H5N2O- 1 109.0407 -0.13
+  110.0124 C4H2N2O2- 1 110.0122 1.61
+  110.0248 C5H4NO2- 1 110.0248 0.47
+  111.02 C4H3N2O2- 1 111.02 0.2
+  111.0564 C5H7N2O- 1 111.0564 -0.09
+  112.0279 C4H4N2O2- 1 112.0278 0.85
+  112.0517 C4H6N3O- 1 112.0516 0.33
+  113.0355 C4H5N2O2- 1 113.0357 -1.4
+  113.0719 C5H9N2O- 1 113.072 -1.55
+  114.0923 C6H12NO- 1 114.0924 -1.11
+  115.0766 C6H11O2- 1 115.0765 1.11
+  116.0507 C8H6N- 1 116.0506 0.94
+  116.0716 C5H10NO2- 1 116.0717 -0.67
+  118.0661 C8H8N- 1 118.0662 -1.38
+  119.0501 C8H7O- 1 119.0502 -0.96
+  121.041 C6H5N2O- 1 121.0407 2.39
+  123.0562 C6H7N2O- 1 123.0564 -1.29
+  124.0402 C6H6NO2- 1 124.0404 -1.71
+  125.0355 C5H5N2O2- 1 125.0357 -0.86
+  125.0719 C6H9N2O- 1 125.072 -1.42
+  126.0433 C5H6N2O2- 1 126.0435 -1.2
+  127.0512 C5H7N2O2- 1 127.0513 -1
+  127.0877 C6H11N2O- 1 127.0877 0.37
+  128.0352 C5H6NO3- 1 128.0353 -1.05
+  130.0624 C4H8N3O2- 1 130.0622 1.48
+  130.0984 C5H12N3O- 1 130.0986 -1.06
+  131.0825 C5H11N2O2- 1 131.0826 -0.92
+  135.0558 C7H7N2O- 1 135.0564 -4.36
+  136.0514 C6H6N3O- 1 136.0516 -1.65
+  138.0436 C6H6N2O2- 1 138.0435 1.12
+  138.0673 C6H8N3O- 1 138.0673 -0.25
+  138.1038 C7H12N3- 1 138.1037 1.01
+  139.051 C6H7N2O2- 1 139.0513 -2.11
+  139.0876 C7H11N2O- 1 139.0877 -0.42
+  140.083 C6H10N3O- 1 140.0829 0.31
+  141.0668 C6H9N2O2- 1 141.067 -0.79
+  141.1031 C7H13N2O- 1 141.1033 -1.93
+  145.0292 C9H5O2- 1 145.0295 -2.37
+  148.0767 C9H10NO- 1 148.0768 -0.74
+  149.0714 C8H9N2O- 2 149.072 -4.25
+  150.0556 C8H8NO2- 1 150.0561 -3.32
+  152.0829 C7H10N3O- 1 152.0829 -0.22
+  154.1234 C9H16NO- 1 154.1237 -1.97
+  155.0826 C7H11N2O2- 1 155.0826 -0.18
+  156.0777 C6H10N3O2- 1 156.0779 -1.01
+  160.0763 C10H10NO- 1 160.0768 -2.85
+  162.0555 C9H8NO2- 2 162.0561 -3.43
+  165.1032 C9H13N2O- 1 165.1033 -0.69
+  166.0617 C7H8N3O2- 1 166.0622 -3.06
+  166.0978 C8H12N3O- 2 166.0986 -4.49
+  167.0455 C7H7N2O3- 2 167.0462 -4.51
+  167.0815 C6H9N5O- 1 167.0813 1.73
+  168.1138 C8H14N3O- 1 168.1142 -2.81
+  169.1093 C7H13N4O- 1 169.1095 -1.37
+  170.0931 C7H12N3O2- 1 170.0935 -2.63
+  174.0918 C9H10N4- 2 174.0911 3.77
+  180.1138 C9H14N3O- 1 180.1142 -2.17
+  182.0926 C6H10N6O- 2 182.0922 2.56
+  184.0721 C7H10N3O3- 2 184.0728 -3.84
+  187.1196 C7H15N4O2- 3 187.12 -2.44
+  192.0772 C9H10N3O2- 2 192.0779 -3.23
+  196.1086 C7H12N6O- 2 196.1078 3.89
+  197.1046 C8H13N4O2- 1 197.1044 0.8
+  201.1345 C7H21O6- 2 201.1344 0.64
+  203.0824 C11H11N2O2- 1 203.0826 -0.78
+  213.0991 C8H13N4O3- 1 213.0993 -0.8
+  226.1299 C9H16N5O2- 3 226.1309 -4.47
+  229.1413 C7H21N2O6- 3 229.1405 3.33
+PK$NUM_PEAK: 70
+PK$PEAK: m/z int. rel.int.
+  106.0425 25907.2 37
+  107.0502 73395 106
+  109.0407 139273.6 202
+  110.0124 30328.3 44
+  110.0248 28951.6 42
+  111.02 101899.7 148
+  111.0564 74160.9 107
+  112.0279 159934.2 232
+  112.0517 32062.5 46
+  113.0355 108556.1 157
+  113.0719 83318.6 121
+  114.0923 119339.7 173
+  115.0766 39774.1 57
+  116.0507 58238.5 84
+  116.0716 514537.6 748
+  118.0661 45185.5 65
+  119.0501 554767.2 807
+  121.041 31985.5 46
+  123.0562 101253.9 147
+  124.0402 150766.4 219
+  125.0355 447233.4 650
+  125.0719 26814.5 39
+  126.0433 77226.2 112
+  127.0512 440487 640
+  127.0877 39408.3 57
+  128.0352 458637 667
+  130.0624 41678.3 60
+  130.0984 222216.4 323
+  131.0825 26135.7 38
+  135.0558 61701.2 89
+  136.0514 34724.6 50
+  138.0436 23202.2 33
+  138.0673 97078.6 141
+  138.1038 13602.7 19
+  139.051 68243.6 99
+  139.0876 24277.4 35
+  140.083 80270.8 116
+  141.0668 97191.5 141
+  141.1031 115302.2 167
+  145.0292 24756.4 36
+  148.0767 36938 53
+  149.0714 140237.9 204
+  150.0556 27394.1 39
+  152.0829 148531.9 216
+  154.1234 34440.5 50
+  155.0826 34678.9 50
+  156.0777 88309.1 128
+  160.0763 324153.1 471
+  162.0555 86290.5 125
+  165.1032 25403.3 36
+  166.0617 216055 314
+  166.0978 81300.3 118
+  167.0455 49399.1 71
+  167.0815 110010.5 160
+  168.1138 28015.5 40
+  169.1093 197283.3 287
+  170.0931 165466.9 240
+  174.0918 28334 41
+  180.1138 22850.8 33
+  182.0926 40538.2 58
+  184.0721 88261.7 128
+  187.1196 686604.7 999
+  192.0772 127998.6 186
+  196.1086 70884.1 103
+  197.1046 31128.3 45
+  201.1345 45166.1 65
+  203.0824 25277 36
+  213.0991 28354.6 41
+  226.1299 43284.5 62
+  229.1413 20174 29
+//
diff --git a/Eawag/MSBNK-EAWAG-ED051259.txt b/Eawag/MSBNK-EAWAG-ED051259.txt
new file mode 100644
index 0000000000..7c2e153cd5
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED051259.txt
@@ -0,0 +1,168 @@
+ACCESSION: MSBNK-EAWAG-ED051259
+RECORD_TITLE: Cyanopeptolin 1020; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 512
+CH$NAME: Cyanopeptolin 1020
+CH$NAME: (4S)-5-(((2S,5S,8S,11R,12S,15S,18S,21R)-2-benzyl-15-(3-((diaminomethylene)amino)propyl)-21-hydroxy-5-(4-hydroxybenzyl)-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-4-hexanamido-5-oxopentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C50H72N10O13
+CH$EXACT_MASS: 1020.528032
+CH$SMILES: C[C@H]1OC([C@@H](NC([C@@H](N(C([C@@H](N2C([C@H](CC[C@H]2O)NC([C@@H](NC([C@H]1NC([C@@H](NC(CCCCC)=O)CCC(O)=O)=O)=O)CCC/N=C(N)/N)=O)=O)CC3=CC=CC=C3)=O)C)CC(C=C4)=CC=C4O)=O)C(C)C)=O
+CH$IUPAC: InChI=1S/C50H72N10O13/c1-6-7-9-16-38(62)54-34(22-24-40(64)65)44(67)58-42-29(4)73-49(72)41(28(2)3)57-45(68)36(26-31-17-19-32(61)20-18-31)59(5)48(71)37(27-30-13-10-8-11-14-30)60-39(63)23-21-35(47(60)70)56-43(66)33(55-46(42)69)15-12-25-53-50(51)52/h8,10-11,13-14,17-20,28-29,33-37,39,41-42,61,63H,6-7,9,12,15-16,21-27H2,1-5H3,(H,54,62)(H,55,69)(H,56,66)(H,57,68)(H,58,67)(H,64,65)(H4,51,52,53)/t29-,33+,34+,35+,36+,37+,39-,41+,42+/m1/s1
+CH$LINK: PUBCHEM CID:46830813
+CH$LINK: INCHIKEY NYXUAFLMUQAJPS-AYGLBTBXSA-N
+CH$LINK: CHEMSPIDER 25060986
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 106-1061
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.650 min
+MS$FOCUSED_ION: BASE_PEAK 1019.5212
+MS$FOCUSED_ION: PRECURSOR_M/Z 1019.5208
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-016r-0900000000-ea154919e0b0f393f0a2
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  106.0423 C7H6O- 1 106.0424 -0.96
+  107.0506 C7H7O- 1 107.0502 3.12
+  108.0328 C5H4N2O- 1 108.0329 -0.99
+  109.0409 C5H5N2O- 1 109.0407 1.13
+  110.0124 C4H2N2O2- 1 110.0122 1.75
+  111.02 C4H3N2O2- 1 111.02 0.27
+  111.0562 C5H7N2O- 1 111.0564 -1.39
+  112.0278 C4H4N2O2- 1 112.0278 0.04
+  112.0406 C5H6NO2- 1 112.0404 1.92
+  113.0358 C4H5N2O2- 1 113.0357 1.09
+  113.0719 C5H9N2O- 1 113.072 -0.94
+  114.0923 C6H12NO- 1 114.0924 -1.18
+  115.0766 C6H11O2- 1 115.0765 0.85
+  116.0508 C8H6N- 1 116.0506 1.73
+  116.0716 C5H10NO2- 1 116.0717 -0.54
+  117.035 C8H5O- 1 117.0346 3.69
+  118.0663 C8H8N- 1 118.0662 0.56
+  119.0501 C8H7O- 1 119.0502 -0.83
+  121.0407 C6H5N2O- 1 121.0407 -0.2
+  122.0486 C6H6N2O- 1 122.0486 -0.07
+  123.0323 C6H5NO2- 1 123.0326 -2.23
+  123.0559 C6H7N2O- 1 123.0564 -3.77
+  124.0404 C6H6NO2- 1 124.0404 0.01
+  125.0356 C5H5N2O2- 1 125.0357 -0.56
+  125.0719 C6H9N2O- 1 125.072 -0.87
+  126.0437 C5H6N2O2- 1 126.0435 1.64
+  127.0511 C5H7N2O2- 1 127.0513 -1.36
+  127.088 C6H11N2O- 1 127.0877 2.72
+  128.0351 C5H6NO3- 1 128.0353 -1.53
+  130.0626 C4H8N3O2- 1 130.0622 3.35
+  130.0986 C5H12N3O- 1 130.0986 -0.23
+  131.0826 C5H11N2O2- 1 131.0826 -0.22
+  135.0563 C7H7N2O- 1 135.0564 -0.52
+  136.0516 C6H6N3O- 1 136.0516 -0.19
+  138.0433 C6H6N2O2- 1 138.0435 -0.98
+  138.0672 C6H8N3O- 1 138.0673 -0.58
+  139.0512 C6H7N2O2- 1 139.0513 -0.69
+  139.0876 C7H11N2O- 1 139.0877 -0.86
+  140.0829 C6H10N3O- 1 140.0829 -0.02
+  141.0665 C6H9N2O2- 1 141.067 -3.17
+  141.103 C7H13N2O- 1 141.1033 -2.69
+  142.0984 C6H12N3O- 1 142.0986 -0.99
+  144.1143 C6H14N3O- 1 144.1142 0.1
+  147.0445 C9H7O2- 2 147.0452 -4.18
+  148.0765 C9H10NO- 1 148.0768 -1.88
+  149.0717 C8H9N2O- 1 149.072 -2.1
+  152.0826 C7H10N3O- 1 152.0829 -2.03
+  153.0668 C7H9N2O2- 1 153.067 -0.94
+  154.0991 C7H12N3O- 1 154.0986 3.02
+  155.0822 C7H11N2O2- 1 155.0826 -2.83
+  156.0773 C6H10N3O2- 1 156.0779 -3.55
+  160.0765 C10H10NO- 1 160.0768 -2.09
+  166.0618 C7H8N3O2- 1 166.0622 -2.32
+  166.0981 C8H12N3O- 1 166.0986 -2.83
+  168.0773 C7H10N3O2- 2 168.0779 -3.21
+  168.1138 C8H14N3O- 1 168.1142 -2.81
+  169.1091 C7H13N4O- 1 169.1095 -2
+  170.0928 C7H12N3O2- 2 170.0935 -4.33
+  180.1143 C9H14N3O- 1 180.1142 0.62
+  187.1194 C7H15N4O2- 3 187.12 -3.58
+  201.1352 C7H21O6- 3 201.1344 4.36
+  223.1191 C10H15N4O2- 3 223.12 -4.44
+  226.1303 C9H16N5O2- 3 226.1309 -2.71
+PK$NUM_PEAK: 63
+PK$PEAK: m/z int. rel.int.
+  106.0423 20615.4 38
+  107.0506 65932 123
+  108.0328 26692 49
+  109.0409 99935.4 186
+  110.0124 44697.1 83
+  111.02 101327.8 189
+  111.0562 60314 112
+  112.0278 130332.6 243
+  112.0406 37663.5 70
+  113.0358 97871.2 182
+  113.0719 81142.2 151
+  114.0923 87773.8 164
+  115.0766 33042.2 61
+  116.0508 65125.6 121
+  116.0716 336556.8 629
+  117.035 45624.9 85
+  118.0663 50522.5 94
+  119.0501 534451.3 999
+  121.0407 35506.4 66
+  122.0486 10809.9 20
+  123.0323 12266.8 22
+  123.0559 105108.2 196
+  124.0404 120644 225
+  125.0356 321591.4 601
+  125.0719 22886.3 42
+  126.0437 52832.8 98
+  127.0511 266335.9 497
+  127.088 32039.7 59
+  128.0351 232668.4 434
+  130.0626 22875 42
+  130.0986 145961.3 272
+  131.0826 26064.1 48
+  135.0563 38194.4 71
+  136.0516 25669.6 47
+  138.0433 29284.9 54
+  138.0672 61727.1 115
+  139.0512 56399.7 105
+  139.0876 25141.8 46
+  140.0829 56176 105
+  141.0665 52111.3 97
+  141.103 60592.1 113
+  142.0984 21122.5 39
+  144.1143 47284.8 88
+  147.0445 19077.8 35
+  148.0765 18105.2 33
+  149.0717 99775.7 186
+  152.0826 99806.4 186
+  153.0668 35752.2 66
+  154.0991 44964.2 84
+  155.0822 22504 42
+  156.0773 44935.4 83
+  160.0765 158002.9 295
+  166.0618 144535.3 270
+  166.0981 46624.1 87
+  168.0773 18951.3 35
+  168.1138 27300.6 51
+  169.1091 152069.3 284
+  170.0928 96942 181
+  180.1143 14638.2 27
+  187.1194 319812 597
+  201.1352 35731.7 66
+  223.1191 25178.1 47
+  226.1303 15655.7 29
+//
diff --git a/Eawag/MSBNK-EAWAG-ED053201.txt b/Eawag/MSBNK-EAWAG-ED053201.txt
new file mode 100644
index 0000000000..675311eb80
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED053201.txt
@@ -0,0 +1,44 @@
+ACCESSION: MSBNK-EAWAG-ED053201
+RECORD_TITLE: Cyanopeptolin 1014; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.aquatox.2023.106689
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 532
+CH$NAME: Cyanopeptolin 1014
+CH$NAME: 5-((15-(3-guanidinopropyl)-21-hydroxy-5-(4-hydroxybenzyl)-2-isobutyl-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-4-octanamido-5-oxopentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C49H78N10O13
+CH$EXACT_MASS: 1014.574983
+CH$SMILES: O=C(NC(CCCNC(N)=N)C(NC1C(N(C(C(N(C(C(NC2C(C)C)=O)CC3=CC=C(O)C=C3)C)=O)CC(C)C)C(O)CC1)=O)=O)C(C(OC2=O)C)NC(C(CCC(O)=O)NC(CCCCCCC)=O)=O
+CH$IUPAC: InChI=1S/C49H78N10O13/c1-8-9-10-11-12-15-37(61)53-33(21-23-39(63)64)43(66)57-41-29(6)72-48(71)40(28(4)5)56-44(67)35(26-30-16-18-31(60)19-17-30)58(7)47(70)36(25-27(2)3)59-38(62)22-20-34(46(59)69)55-42(65)32(54-45(41)68)14-13-24-52-49(50)51/h16-19,27-29,32-36,38,40-41,60,62H,8-15,20-26H2,1-7H3,(H,53,61)(H,54,68)(H,55,65)(H,56,67)(H,57,66)(H,63,64)(H4,50,51,52)
+CH$LINK: PUBCHEM CID:146684708
+CH$LINK: INCHIKEY XROOLCIJEAHFKQ-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 105-1057
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.674 min
+MS$FOCUSED_ION: BASE_PEAK 1015.5796
+MS$FOCUSED_ION: PRECURSOR_M/Z 1015.5823
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-014i-9000000000-4b6839ab542b7c77263a
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  1015.5787 C49H79N10O13+ 1 1015.5823 -3.53
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  1015.5787 34574364 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED053202.txt b/Eawag/MSBNK-EAWAG-ED053202.txt
new file mode 100644
index 0000000000..2af1e2071b
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED053202.txt
@@ -0,0 +1,48 @@
+ACCESSION: MSBNK-EAWAG-ED053202
+RECORD_TITLE: Cyanopeptolin 1014; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.aquatox.2023.106689
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 532
+CH$NAME: Cyanopeptolin 1014
+CH$NAME: 5-((15-(3-guanidinopropyl)-21-hydroxy-5-(4-hydroxybenzyl)-2-isobutyl-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-4-octanamido-5-oxopentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C49H78N10O13
+CH$EXACT_MASS: 1014.574983
+CH$SMILES: O=C(NC(CCCNC(N)=N)C(NC1C(N(C(C(N(C(C(NC2C(C)C)=O)CC3=CC=C(O)C=C3)C)=O)CC(C)C)C(O)CC1)=O)=O)C(C(OC2=O)C)NC(C(CCC(O)=O)NC(CCCCCCC)=O)=O
+CH$IUPAC: InChI=1S/C49H78N10O13/c1-8-9-10-11-12-15-37(61)53-33(21-23-39(63)64)43(66)57-41-29(6)72-48(71)40(28(4)5)56-44(67)35(26-30-16-18-31(60)19-17-30)58(7)47(70)36(25-27(2)3)59-38(62)22-20-34(46(59)69)55-42(65)32(54-45(41)68)14-13-24-52-49(50)51/h16-19,27-29,32-36,38,40-41,60,62H,8-15,20-26H2,1-7H3,(H,53,61)(H,54,68)(H,55,65)(H,56,67)(H,57,66)(H,63,64)(H4,50,51,52)
+CH$LINK: PUBCHEM CID:146684708
+CH$LINK: INCHIKEY XROOLCIJEAHFKQ-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 105-1057
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.674 min
+MS$FOCUSED_ION: BASE_PEAK 1015.5796
+MS$FOCUSED_ION: PRECURSOR_M/Z 1015.5823
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-014i-9000000001-4b270619b552fa68500e
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  756.4396 C36H62N5O12+ 10 756.4389 0.84
+  997.5723 C49H77N10O12+ 1 997.5717 0.64
+  1015.5787 C49H79N10O13+ 1 1015.5823 -3.47
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  756.4396 305560.3 10
+  997.5723 4475268.5 146
+  1015.5787 30417762 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED053203.txt b/Eawag/MSBNK-EAWAG-ED053203.txt
new file mode 100644
index 0000000000..201829e8b4
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED053203.txt
@@ -0,0 +1,54 @@
+ACCESSION: MSBNK-EAWAG-ED053203
+RECORD_TITLE: Cyanopeptolin 1014; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.aquatox.2023.106689
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 532
+CH$NAME: Cyanopeptolin 1014
+CH$NAME: 5-((15-(3-guanidinopropyl)-21-hydroxy-5-(4-hydroxybenzyl)-2-isobutyl-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-4-octanamido-5-oxopentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C49H78N10O13
+CH$EXACT_MASS: 1014.574983
+CH$SMILES: O=C(NC(CCCNC(N)=N)C(NC1C(N(C(C(N(C(C(NC2C(C)C)=O)CC3=CC=C(O)C=C3)C)=O)CC(C)C)C(O)CC1)=O)=O)C(C(OC2=O)C)NC(C(CCC(O)=O)NC(CCCCCCC)=O)=O
+CH$IUPAC: InChI=1S/C49H78N10O13/c1-8-9-10-11-12-15-37(61)53-33(21-23-39(63)64)43(66)57-41-29(6)72-48(71)40(28(4)5)56-44(67)35(26-30-16-18-31(60)19-17-30)58(7)47(70)36(25-27(2)3)59-38(62)22-20-34(46(59)69)55-42(65)32(54-45(41)68)14-13-24-52-49(50)51/h16-19,27-29,32-36,38,40-41,60,62H,8-15,20-26H2,1-7H3,(H,53,61)(H,54,68)(H,55,65)(H,56,67)(H,57,66)(H,63,64)(H4,50,51,52)
+CH$LINK: PUBCHEM CID:146684708
+CH$LINK: INCHIKEY XROOLCIJEAHFKQ-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 105-1057
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.674 min
+MS$FOCUSED_ION: BASE_PEAK 1015.5796
+MS$FOCUSED_ION: PRECURSOR_M/Z 1015.5823
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-014j-9000000205-0a52ad421893b3eef2b4
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  400.2223 C20H28N6O3+ 6 400.2217 1.33
+  756.4396 C36H62N5O12+ 10 756.4389 0.84
+  774.449 C49H56N7O2+ 8 774.449 -0.01
+  969.5765 C48H77N10O11+ 1 969.5768 -0.3
+  997.5704 C49H77N10O12+ 1 997.5717 -1.26
+  1015.5795 C49H79N10O13+ 1 1015.5823 -2.69
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  400.2223 398245.9 22
+  756.4396 2184588.2 120
+  774.449 3131421.8 173
+  969.5765 249294.5 13
+  997.5704 9797840 542
+  1015.5795 18052182 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED053204.txt b/Eawag/MSBNK-EAWAG-ED053204.txt
new file mode 100644
index 0000000000..3547f9e6d3
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED053204.txt
@@ -0,0 +1,72 @@
+ACCESSION: MSBNK-EAWAG-ED053204
+RECORD_TITLE: Cyanopeptolin 1014; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.aquatox.2023.106689
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 532
+CH$NAME: Cyanopeptolin 1014
+CH$NAME: 5-((15-(3-guanidinopropyl)-21-hydroxy-5-(4-hydroxybenzyl)-2-isobutyl-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-4-octanamido-5-oxopentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C49H78N10O13
+CH$EXACT_MASS: 1014.574983
+CH$SMILES: O=C(NC(CCCNC(N)=N)C(NC1C(N(C(C(N(C(C(NC2C(C)C)=O)CC3=CC=C(O)C=C3)C)=O)CC(C)C)C(O)CC1)=O)=O)C(C(OC2=O)C)NC(C(CCC(O)=O)NC(CCCCCCC)=O)=O
+CH$IUPAC: InChI=1S/C49H78N10O13/c1-8-9-10-11-12-15-37(61)53-33(21-23-39(63)64)43(66)57-41-29(6)72-48(71)40(28(4)5)56-44(67)35(26-30-16-18-31(60)19-17-30)58(7)47(70)36(25-27(2)3)59-38(62)22-20-34(46(59)69)55-42(65)32(54-45(41)68)14-13-24-52-49(50)51/h16-19,27-29,32-36,38,40-41,60,62H,8-15,20-26H2,1-7H3,(H,53,61)(H,54,68)(H,55,65)(H,56,67)(H,57,66)(H,63,64)(H4,50,51,52)
+CH$LINK: PUBCHEM CID:146684708
+CH$LINK: INCHIKEY XROOLCIJEAHFKQ-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 105-1057
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.674 min
+MS$FOCUSED_ION: BASE_PEAK 1015.5796
+MS$FOCUSED_ION: PRECURSOR_M/Z 1015.5823
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-066s-8100100809-c4eff05b0ad996c4ce55
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  112.0866 C5H10N3+ 1 112.0869 -2.91
+  164.1063 C8H12N4+ 2 164.1056 4.01
+  181.1327 C8H15N5+ 2 181.1322 2.67
+  192.1006 C9H12N4O+ 1 192.1006 0.2
+  209.1275 C9H15N5O+ 2 209.1271 1.81
+  223.1186 C9H19O6+ 3 223.1176 4.51
+  288.1598 C2H28N2O13+ 4 288.1586 4.27
+  400.2221 C20H28N6O3+ 6 400.2217 0.87
+  464.25 C36H32+ 8 464.2499 0.32
+  598.3539 C39H44N5O+ 11 598.354 -0.15
+  756.439 C36H62N5O12+ 9 756.4389 0.12
+  774.4489 C49H56N7O2+ 8 774.449 -0.17
+  969.5746 C48H77N10O11+ 1 969.5768 -2.25
+  997.57 C49H77N10O12+ 1 997.5717 -1.69
+  1015.5799 C49H79N10O13+ 1 1015.5823 -2.33
+PK$NUM_PEAK: 15
+PK$PEAK: m/z int. rel.int.
+  112.0866 70813.4 10
+  164.1063 825129.2 116
+  181.1327 185908.5 26
+  192.1006 78322.5 11
+  209.1275 395574.5 56
+  223.1186 191327.5 27
+  288.1598 73260.8 10
+  400.2221 1066980 151
+  464.25 114902 16
+  598.3539 75043.5 10
+  756.439 3759002.2 532
+  774.4489 3163863.2 448
+  969.5746 514844.9 72
+  997.57 6735003.5 954
+  1015.5799 7049074.5 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED053205.txt b/Eawag/MSBNK-EAWAG-ED053205.txt
new file mode 100644
index 0000000000..27b46ad505
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED053205.txt
@@ -0,0 +1,128 @@
+ACCESSION: MSBNK-EAWAG-ED053205
+RECORD_TITLE: Cyanopeptolin 1014; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.aquatox.2023.106689
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 532
+CH$NAME: Cyanopeptolin 1014
+CH$NAME: 5-((15-(3-guanidinopropyl)-21-hydroxy-5-(4-hydroxybenzyl)-2-isobutyl-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-4-octanamido-5-oxopentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C49H78N10O13
+CH$EXACT_MASS: 1014.574983
+CH$SMILES: O=C(NC(CCCNC(N)=N)C(NC1C(N(C(C(N(C(C(NC2C(C)C)=O)CC3=CC=C(O)C=C3)C)=O)CC(C)C)C(O)CC1)=O)=O)C(C(OC2=O)C)NC(C(CCC(O)=O)NC(CCCCCCC)=O)=O
+CH$IUPAC: InChI=1S/C49H78N10O13/c1-8-9-10-11-12-15-37(61)53-33(21-23-39(63)64)43(66)57-41-29(6)72-48(71)40(28(4)5)56-44(67)35(26-30-16-18-31(60)19-17-30)58(7)47(70)36(25-27(2)3)59-38(62)22-20-34(46(59)69)55-42(65)32(54-45(41)68)14-13-24-52-49(50)51/h16-19,27-29,32-36,38,40-41,60,62H,8-15,20-26H2,1-7H3,(H,53,61)(H,54,68)(H,55,65)(H,56,67)(H,57,66)(H,63,64)(H4,50,51,52)
+CH$LINK: PUBCHEM CID:146684708
+CH$LINK: INCHIKEY XROOLCIJEAHFKQ-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 105-1057
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.674 min
+MS$FOCUSED_ION: BASE_PEAK 1015.5796
+MS$FOCUSED_ION: PRECURSOR_M/Z 1015.5823
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0c0u-0960100100-3c1ae00bb59020d56917
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  112.0867 C5H10N3+ 1 112.0869 -1.75
+  112.1118 C7H14N+ 1 112.1121 -2.62
+  113.0707 C5H9N2O+ 1 113.0709 -2.29
+  114.0546 C5H8NO2+ 1 114.055 -2.68
+  115.0861 C5H11N2O+ 1 115.0866 -3.97
+  121.0644 C8H9O+ 1 121.0648 -3.63
+  124.1115 C8H14N+ 1 124.1121 -4.92
+  135.0803 C9H11O+ 1 135.0804 -0.85
+  136.1118 C9H14N+ 1 136.1121 -2.04
+  138.0659 C6H8N3O+ 1 138.0662 -1.96
+  149.0831 C9H11NO+ 1 149.0835 -2.83
+  153.0653 C7H9N2O2+ 1 153.0659 -3.6
+  153.1381 C9H17N2+ 1 153.1386 -3.12
+  156.0766 C6H10N3O2+ 1 156.0768 -0.78
+  157.1079 C6H13N4O+ 1 157.1084 -3.33
+  162.1024 C9H12N3+ 1 162.1026 -1.04
+  179.1281 C8H19O4+ 1 179.1278 2.03
+  180.1125 C7H12N6+ 2 180.1118 3.66
+  181.1327 C8H15N5+ 2 181.1322 2.59
+  192.1008 C9H12N4O+ 1 192.1006 0.99
+  197.1026 C7H17O6+ 3 197.102 3.38
+  198.1205 C5H12N9+ 3 198.121 -2.7
+  199.0706 C6H9N5O3+ 2 199.07 2.84
+  205.1327 C10H15N5+ 2 205.1322 2.44
+  208.1072 C8H12N6O+ 2 208.1067 2.56
+  209.1273 C9H15N5O+ 1 209.1271 0.94
+  216.1336 C9H18N3O3+ 2 216.1343 -3.01
+  223.1182 C9H19O6+ 3 223.1176 2.8
+  240.1443 C9H22NO6+ 3 240.1442 0.68
+  241.1285 C9H21O7+ 3 241.1282 1.17
+  242.1376 C10H18N4O3+ 2 242.1373 1.21
+  251.1136 C11H15N4O3+ 3 251.1139 -1.06
+  257.1717 C10H21N6O2+ 3 257.1721 -1.36
+  288.1587 C2H28N2O13+ 5 288.1586 0.35
+  292.14 C12H22NO7+ 3 292.1391 3.15
+  313.1511 C13H21N4O5+ 4 313.1506 1.31
+  400.2216 C20H28N6O3+ 6 400.2217 -0.27
+  464.2495 C36H32+ 8 464.2499 -0.86
+  598.3537 C39H44N5O+ 11 598.354 -0.56
+  756.4389 C36H62N5O12+ 9 756.4389 -0.04
+  774.4487 C49H56N7O2+ 10 774.449 -0.41
+  997.571 C49H77N10O12+ 1 997.5717 -0.65
+  1015.5798 C49H79N10O13+ 1 1015.5823 -2.39
+PK$NUM_PEAK: 43
+PK$PEAK: m/z int. rel.int.
+  112.0867 422700.3 476
+  112.1118 48887.7 55
+  113.0707 272593.5 307
+  114.0546 29991.6 33
+  115.0861 158454.4 178
+  121.0644 71144.4 80
+  124.1115 72343.6 81
+  135.0803 62097.6 70
+  136.1118 140806.7 158
+  138.0659 240918.5 271
+  149.0831 31638.4 35
+  153.0653 43118.8 48
+  153.1381 268955.5 303
+  156.0766 34989.2 39
+  157.1079 88412.9 99
+  162.1024 30465.4 34
+  179.1281 52171.6 58
+  180.1125 32070.2 36
+  181.1327 885713.3 999
+  192.1008 295520.8 333
+  197.1026 194549.2 219
+  198.1205 112537.6 126
+  199.0706 133698.8 150
+  205.1327 44977.2 50
+  208.1072 43252.1 48
+  209.1273 599405.8 676
+  216.1336 50256.1 56
+  223.1182 586342.4 661
+  240.1443 292382.6 329
+  241.1285 279799.6 315
+  242.1376 178865.7 201
+  251.1136 38986 43
+  257.1717 94853.1 106
+  288.1587 520708.4 587
+  292.14 54996.9 62
+  313.1511 47215.2 53
+  400.2216 287189.9 323
+  464.2495 385367.3 434
+  598.3537 94061.1 106
+  756.4389 474656.2 535
+  774.4487 194315.1 219
+  997.571 154569.3 174
+  1015.5798 115213.3 129
+//
diff --git a/Eawag/MSBNK-EAWAG-ED053206.txt b/Eawag/MSBNK-EAWAG-ED053206.txt
new file mode 100644
index 0000000000..059a4a4ca2
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED053206.txt
@@ -0,0 +1,154 @@
+ACCESSION: MSBNK-EAWAG-ED053206
+RECORD_TITLE: Cyanopeptolin 1014; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.aquatox.2023.106689
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 532
+CH$NAME: Cyanopeptolin 1014
+CH$NAME: 5-((15-(3-guanidinopropyl)-21-hydroxy-5-(4-hydroxybenzyl)-2-isobutyl-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-4-octanamido-5-oxopentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C49H78N10O13
+CH$EXACT_MASS: 1014.574983
+CH$SMILES: O=C(NC(CCCNC(N)=N)C(NC1C(N(C(C(N(C(C(NC2C(C)C)=O)CC3=CC=C(O)C=C3)C)=O)CC(C)C)C(O)CC1)=O)=O)C(C(OC2=O)C)NC(C(CCC(O)=O)NC(CCCCCCC)=O)=O
+CH$IUPAC: InChI=1S/C49H78N10O13/c1-8-9-10-11-12-15-37(61)53-33(21-23-39(63)64)43(66)57-41-29(6)72-48(71)40(28(4)5)56-44(67)35(26-30-16-18-31(60)19-17-30)58(7)47(70)36(25-27(2)3)59-38(62)22-20-34(46(59)69)55-42(65)32(54-45(41)68)14-13-24-52-49(50)51/h16-19,27-29,32-36,38,40-41,60,62H,8-15,20-26H2,1-7H3,(H,53,61)(H,54,68)(H,55,65)(H,56,67)(H,57,66)(H,63,64)(H4,50,51,52)
+CH$LINK: PUBCHEM CID:146684708
+CH$LINK: INCHIKEY XROOLCIJEAHFKQ-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 105-1057
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.674 min
+MS$FOCUSED_ION: BASE_PEAK 1015.5796
+MS$FOCUSED_ION: PRECURSOR_M/Z 1015.5823
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-01q0-0930000000-06bd2f7e118354e13e6a
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  108.0569 C7H8O+ 1 108.057 -0.28
+  111.0554 C5H7N2O+ 1 111.0553 1.15
+  112.0867 C5H10N3+ 1 112.0869 -1.75
+  112.1115 C7H14N+ 1 112.1121 -4.87
+  113.0708 C5H9N2O+ 1 113.0709 -1.54
+  114.0547 C5H8NO2+ 1 114.055 -2.21
+  115.0863 C5H11N2O+ 1 115.0866 -2.11
+  121.0645 C8H9O+ 1 121.0648 -2.12
+  124.1118 C8H14N+ 1 124.1121 -2.59
+  125.0707 C6H9N2O+ 1 125.0709 -1.52
+  129.0658 C5H9N2O2+ 1 129.0659 -0.48
+  132.0804 C9H10N+ 1 132.0808 -2.82
+  135.0801 C9H11O+ 1 135.0804 -2.89
+  136.1118 C9H14N+ 1 136.1121 -2.04
+  137.1068 C8H13N2+ 1 137.1073 -3.93
+  138.0659 C6H8N3O+ 1 138.0662 -1.74
+  138.0905 C6H10N4+ 1 138.09 3.97
+  140.0816 C6H10N3O+ 1 140.0818 -1.84
+  141.0658 C6H9N2O2+ 1 141.0659 -0.34
+  149.0702 C6H7N5+ 2 149.0696 4.35
+  149.0833 C9H11NO+ 1 149.0835 -1.5
+  150.1021 C8H12N3+ 1 150.1026 -3.19
+  153.0657 C7H9N2O2+ 1 153.0659 -0.91
+  153.1381 C9H17N2+ 1 153.1386 -3.12
+  156.0762 C6H10N3O2+ 1 156.0768 -3.42
+  157.1079 C6H13N4O+ 1 157.1084 -3.13
+  166.0968 C6H10N6+ 2 166.0961 3.99
+  171.0759 C7H11N2O3+ 2 171.0764 -3.19
+  178.0968 C7H10N6+ 2 178.0961 3.68
+  180.1118 C7H12N6+ 1 180.1118 -0.23
+  181.0599 C6H7N5O2+ 2 181.0594 2.6
+  181.1327 C8H15N5+ 2 181.1322 2.5
+  182.091 C6H10N6O+ 1 182.0911 -0.41
+  188.1063 C10H12N4+ 2 188.1056 3.45
+  192.1005 C9H12N4O+ 1 192.1006 -0.52
+  195.1244 C9H15N4O+ 2 195.124 1.96
+  197.1028 C8H13N4O2+ 3 197.1033 -2.79
+  198.0867 C8H12N3O3+ 2 198.0873 -3.19
+  198.121 C5H12N9+ 2 198.121 -0.16
+  199.0704 C6H9N5O3+ 2 199.07 1.85
+  206.092 C10H12N3O2+ 2 206.0924 -2.17
+  208.1071 C8H12N6O+ 2 208.1067 1.97
+  209.1272 C9H15N5O+ 1 209.1271 0.28
+  216.0967 C6H12N6O3+ 1 216.0965 0.91
+  216.134 C9H18N3O3+ 1 216.1343 -1.18
+  223.1182 C9H19O6+ 3 223.1176 2.73
+  225.1343 C9H21O6+ 3 225.1333 4.52
+  240.1444 C9H22NO6+ 3 240.1442 1
+  241.1283 C9H21O7+ 2 241.1282 0.54
+  242.1372 C10H18N4O3+ 1 242.1373 -0.43
+  251.114 C11H15N4O3+ 1 251.1139 0.34
+  257.1718 C10H21N6O2+ 3 257.1721 -1.12
+  288.1584 CH22N9O8+ 5 288.1586 -0.69
+  292.1401 C12H22NO7+ 3 292.1391 3.36
+  313.1504 C13H21N4O5+ 5 313.1506 -0.64
+  338.1443 C12H18N8O4+ 4 338.1446 -0.76
+PK$NUM_PEAK: 56
+PK$PEAK: m/z int. rel.int.
+  108.0569 37700.1 56
+  111.0554 41012.4 61
+  112.0867 482017.4 724
+  112.1115 73498.7 110
+  113.0708 463530 696
+  114.0547 62041.1 93
+  115.0863 253994.8 381
+  121.0645 247709.9 372
+  124.1118 151192.5 227
+  125.0707 55625 83
+  129.0658 39215.7 58
+  132.0804 43295.5 65
+  135.0801 144448.8 216
+  136.1118 305904.4 459
+  137.1068 36181.3 54
+  138.0659 288393.2 433
+  138.0905 49719.5 74
+  140.0816 57989.7 87
+  141.0658 36615 54
+  149.0702 46802.7 70
+  149.0833 97657.1 146
+  150.1021 43064.3 64
+  153.0657 145003 217
+  153.1381 273473.2 410
+  156.0762 38894.7 58
+  157.1079 92444.2 138
+  166.0968 52452 78
+  171.0759 46005 69
+  178.0968 48341.4 72
+  180.1118 66587.7 100
+  181.0599 36507.8 54
+  181.1327 665084.8 999
+  182.091 48554.1 72
+  188.1063 48375 72
+  192.1005 287064.5 431
+  195.1244 111786.9 167
+  197.1028 207293.2 311
+  198.0867 40736.4 61
+  198.121 98758.4 148
+  199.0704 242034.5 363
+  206.092 35075 52
+  208.1071 80549.8 120
+  209.1272 125860.7 189
+  216.0967 95491.2 143
+  216.134 41075 61
+  223.1182 437531.5 657
+  225.1343 59296.6 89
+  240.1444 170869.3 256
+  241.1283 175747.9 263
+  242.1372 98122.4 147
+  251.114 113328.4 170
+  257.1718 35121.7 52
+  288.1584 381679.8 573
+  292.1401 88786.7 133
+  313.1504 43492.4 65
+  338.1443 181863 273
+//
diff --git a/Eawag/MSBNK-EAWAG-ED053207.txt b/Eawag/MSBNK-EAWAG-ED053207.txt
new file mode 100644
index 0000000000..fd998f28d2
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED053207.txt
@@ -0,0 +1,154 @@
+ACCESSION: MSBNK-EAWAG-ED053207
+RECORD_TITLE: Cyanopeptolin 1014; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.aquatox.2023.106689
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 532
+CH$NAME: Cyanopeptolin 1014
+CH$NAME: 5-((15-(3-guanidinopropyl)-21-hydroxy-5-(4-hydroxybenzyl)-2-isobutyl-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-4-octanamido-5-oxopentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C49H78N10O13
+CH$EXACT_MASS: 1014.574983
+CH$SMILES: O=C(NC(CCCNC(N)=N)C(NC1C(N(C(C(N(C(C(NC2C(C)C)=O)CC3=CC=C(O)C=C3)C)=O)CC(C)C)C(O)CC1)=O)=O)C(C(OC2=O)C)NC(C(CCC(O)=O)NC(CCCCCCC)=O)=O
+CH$IUPAC: InChI=1S/C49H78N10O13/c1-8-9-10-11-12-15-37(61)53-33(21-23-39(63)64)43(66)57-41-29(6)72-48(71)40(28(4)5)56-44(67)35(26-30-16-18-31(60)19-17-30)58(7)47(70)36(25-27(2)3)59-38(62)22-20-34(46(59)69)55-42(65)32(54-45(41)68)14-13-24-52-49(50)51/h16-19,27-29,32-36,38,40-41,60,62H,8-15,20-26H2,1-7H3,(H,53,61)(H,54,68)(H,55,65)(H,56,67)(H,57,66)(H,63,64)(H4,50,51,52)
+CH$LINK: PUBCHEM CID:146684708
+CH$LINK: INCHIKEY XROOLCIJEAHFKQ-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 105-1057
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.674 min
+MS$FOCUSED_ION: BASE_PEAK 1015.5796
+MS$FOCUSED_ION: PRECURSOR_M/Z 1015.5823
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03di-0900000000-9cadbcde623622ed9706
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  108.0568 C7H8O+ 1 108.057 -1.9
+  110.0604 C6H8NO+ 1 110.06 3.43
+  110.0711 C5H8N3+ 1 110.0713 -1.73
+  111.0552 C5H7N2O+ 1 111.0553 -0.84
+  112.0867 C5H10N3+ 1 112.0869 -2.09
+  112.1115 C7H14N+ 1 112.1121 -4.8
+  113.0708 C5H9N2O+ 1 113.0709 -1.41
+  114.0548 C5H8NO2+ 1 114.055 -1.07
+  114.1023 C5H12N3+ 1 114.1026 -2.51
+  115.0863 C5H11N2O+ 1 115.0866 -2.64
+  117.057 C8H7N+ 1 117.0573 -2.14
+  121.0645 C8H9O+ 1 121.0648 -2.06
+  123.0804 C8H11O+ 1 123.0804 -0.6
+  124.1116 C8H14N+ 1 124.1121 -4.06
+  125.0708 C6H9N2O+ 1 125.0709 -0.73
+  129.0654 C5H9N2O2+ 1 129.0659 -3.2
+  132.0805 C9H10N+ 1 132.0808 -2.13
+  134.0595 C8H8NO+ 1 134.06 -4.33
+  135.08 C9H11O+ 1 135.0804 -3.23
+  136.0392 C7H6NO2+ 1 136.0393 -0.9
+  136.1117 C9H14N+ 1 136.1121 -2.49
+  138.0544 C7H8NO2+ 1 138.055 -3.93
+  138.066 C6H8N3O+ 1 138.0662 -1.52
+  138.0903 C6H10N4+ 1 138.09 2.2
+  139.0498 C6H7N2O2+ 1 139.0502 -3.02
+  140.0814 C6H10N3O+ 1 140.0818 -3.15
+  141.0655 C6H9N2O2+ 1 141.0659 -2.72
+  141.1018 C7H13N2O+ 1 141.1022 -3.43
+  149.0701 C6H7N5+ 1 149.0696 3.53
+  149.0831 C9H11NO+ 1 149.0835 -2.73
+  150.1023 C8H12N3+ 1 150.1026 -1.76
+  153.0655 C7H9N2O2+ 1 153.0659 -2.3
+  153.1014 C6H11N5+ 1 153.1009 3.22
+  153.138 C9H17N2+ 1 153.1386 -3.91
+  157.108 C6H13N4O+ 1 157.1084 -2.74
+  162.1021 C9H12N3+ 1 162.1026 -3.02
+  164.1063 C8H12N4+ 2 164.1056 3.82
+  165.1017 C9H13N2O+ 1 165.1022 -3.06
+  166.0967 C6H10N6+ 2 166.0961 3.44
+  178.0969 C9H12N3O+ 2 178.0975 -3.35
+  180.1117 C7H12N6+ 1 180.1118 -0.66
+  181.0951 C7H11N5O+ 3 181.0958 -3.77
+  181.1324 C8H15N5+ 1 181.1322 1.15
+  182.0914 C6H10N6O+ 1 182.0911 1.68
+  188.1061 C10H12N4+ 2 188.1056 2.4
+  197.1024 C7H17O6+ 3 197.102 2.37
+  199.0702 C6H9N5O3+ 1 199.07 1.23
+  205.1326 C10H15N5+ 2 205.1322 2.07
+  208.1077 C8H12N6O+ 2 208.1067 4.54
+  216.0975 C6H12N6O3+ 2 216.0965 4.23
+  223.1179 C9H19O6+ 3 223.1176 1.43
+  225.1334 C9H21O6+ 2 225.1333 0.65
+  240.1448 C9H22NO6+ 3 240.1442 2.46
+  241.1288 C9H21O7+ 3 241.1282 2.75
+  242.1374 C10H18N4O3+ 1 242.1373 0.14
+  288.1577 CH22N9O8+ 6 288.1586 -2.91
+PK$NUM_PEAK: 56
+PK$PEAK: m/z int. rel.int.
+  108.0568 90645.4 31
+  110.0604 29380.1 10
+  110.0711 34579.2 12
+  111.0552 113548.3 39
+  112.0867 471114.2 163
+  112.1115 64039.1 22
+  113.0708 466095.5 162
+  114.0548 96889.2 33
+  114.1023 40552.3 14
+  115.0863 222526.4 77
+  117.057 46439.4 16
+  121.0645 349592.2 121
+  123.0804 67127.9 23
+  124.1116 170596.7 59
+  125.0708 115626.3 40
+  129.0654 62887.9 21
+  132.0805 138944.4 48
+  134.0595 40152.5 13
+  135.08 223474.8 77
+  136.0392 72186.8 25
+  136.1117 308542.2 107
+  138.0544 30990.8 10
+  138.066 263475.5 91
+  138.0903 57367.8 19
+  139.0498 33060.4 11
+  140.0814 101983.4 35
+  141.0655 55551.1 19
+  141.1018 64047.4 22
+  149.0701 113656.8 39
+  149.0831 221779.7 77
+  150.1023 73741 25
+  153.0655 174669.5 60
+  153.1014 98693.4 34
+  153.138 151240.8 52
+  157.108 50133.7 17
+  162.1021 42717.4 14
+  164.1063 2873283 999
+  165.1017 41687.5 14
+  166.0967 42436.8 14
+  178.0969 80116.3 27
+  180.1117 67308.1 23
+  181.0951 120504.4 41
+  181.1324 236785.7 82
+  182.0914 34556.9 12
+  188.1061 54407.5 18
+  197.1024 94462.5 32
+  199.0702 144220.4 50
+  205.1326 33519.8 11
+  208.1077 50126.3 17
+  216.0975 54148.2 18
+  223.1179 139464.6 48
+  225.1334 45726.5 15
+  240.1448 33539.4 11
+  241.1288 51764.4 17
+  242.1374 32076.7 11
+  288.1577 90394.1 31
+//
diff --git a/Eawag/MSBNK-EAWAG-ED053208.txt b/Eawag/MSBNK-EAWAG-ED053208.txt
new file mode 100644
index 0000000000..44b2052b63
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED053208.txt
@@ -0,0 +1,148 @@
+ACCESSION: MSBNK-EAWAG-ED053208
+RECORD_TITLE: Cyanopeptolin 1014; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.aquatox.2023.106689
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 532
+CH$NAME: Cyanopeptolin 1014
+CH$NAME: 5-((15-(3-guanidinopropyl)-21-hydroxy-5-(4-hydroxybenzyl)-2-isobutyl-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-4-octanamido-5-oxopentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C49H78N10O13
+CH$EXACT_MASS: 1014.574983
+CH$SMILES: O=C(NC(CCCNC(N)=N)C(NC1C(N(C(C(N(C(C(NC2C(C)C)=O)CC3=CC=C(O)C=C3)C)=O)CC(C)C)C(O)CC1)=O)=O)C(C(OC2=O)C)NC(C(CCC(O)=O)NC(CCCCCCC)=O)=O
+CH$IUPAC: InChI=1S/C49H78N10O13/c1-8-9-10-11-12-15-37(61)53-33(21-23-39(63)64)43(66)57-41-29(6)72-48(71)40(28(4)5)56-44(67)35(26-30-16-18-31(60)19-17-30)58(7)47(70)36(25-27(2)3)59-38(62)22-20-34(46(59)69)55-42(65)32(54-45(41)68)14-13-24-52-49(50)51/h16-19,27-29,32-36,38,40-41,60,62H,8-15,20-26H2,1-7H3,(H,53,61)(H,54,68)(H,55,65)(H,56,67)(H,57,66)(H,63,64)(H4,50,51,52)
+CH$LINK: PUBCHEM CID:146684708
+CH$LINK: INCHIKEY XROOLCIJEAHFKQ-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 105-1057
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.674 min
+MS$FOCUSED_ION: BASE_PEAK 1015.5796
+MS$FOCUSED_ION: PRECURSOR_M/Z 1015.5823
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03di-0900000000-21f197a2fe6c3d6e8bd8
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  106.065 C7H8N+ 1 106.0651 -0.77
+  108.0567 C7H8O+ 1 108.057 -2.19
+  108.0806 C7H10N+ 1 108.0808 -1.18
+  110.0598 C6H8NO+ 1 110.06 -2.05
+  110.0711 C5H8N3+ 1 110.0713 -1.25
+  111.0549 C5H7N2O+ 1 111.0553 -3.18
+  111.0914 C6H11N2+ 1 111.0917 -2.43
+  112.0391 C5H6NO2+ 1 112.0393 -1.51
+  112.0867 C5H10N3+ 1 112.0869 -2.23
+  112.1119 C7H14N+ 1 112.1121 -2.01
+  113.0707 C5H9N2O+ 1 113.0709 -2.15
+  114.0545 C5H8NO2+ 1 114.055 -4.28
+  114.1022 C5H12N3+ 1 114.1026 -2.98
+  115.0864 C5H11N2O+ 1 115.0866 -1.71
+  117.057 C8H7N+ 1 117.0573 -2.86
+  120.0806 C8H10N+ 1 120.0808 -1.75
+  121.0645 C8H9O+ 1 121.0648 -2.37
+  123.0799 C8H11O+ 1 123.0804 -4.25
+  124.0864 C6H10N3+ 1 124.0869 -4.02
+  124.1116 C8H14N+ 1 124.1121 -3.76
+  125.0708 C6H9N2O+ 1 125.0709 -1.04
+  129.0654 C5H9N2O2+ 1 129.0659 -3.67
+  132.0806 C9H10N+ 1 132.0808 -1.67
+  133.0643 C9H9O+ 1 133.0648 -3.45
+  133.0882 C9H11N+ 1 133.0886 -3.38
+  134.0595 C8H8NO+ 1 134.06 -4.1
+  135.0801 C9H11O+ 1 135.0804 -2.78
+  135.0914 C8H11N2+ 1 135.0917 -2.12
+  136.1116 C9H14N+ 1 136.1121 -3.27
+  137.0707 C7H9N2O+ 1 137.0709 -1.42
+  137.1072 C8H13N2+ 1 137.1073 -0.6
+  138.0659 C6H8N3O+ 1 138.0662 -2.07
+  138.09 C6H10N4+ 1 138.09 -0.23
+  141.0652 C6H9N2O2+ 2 141.0659 -4.77
+  141.1019 C7H13N2O+ 1 141.1022 -2.13
+  149.07 C6H7N5+ 1 149.0696 2.71
+  149.0831 C9H11NO+ 1 149.0835 -2.53
+  150.102 C8H12N3+ 1 150.1026 -4.1
+  153.0656 C7H9N2O2+ 1 153.0659 -1.4
+  153.1015 C6H11N5+ 1 153.1009 3.72
+  153.1379 C9H17N2+ 1 153.1386 -4.81
+  157.1075 C5H17O5+ 2 157.1071 3.05
+  162.1025 C9H12N3+ 1 162.1026 -0.29
+  164.1063 C8H12N4+ 2 164.1056 3.82
+  178.0968 C7H10N6+ 2 178.0961 3.76
+  180.1121 C7H12N6+ 1 180.1118 1.46
+  181.0962 C7H11N5O+ 1 181.0958 1.96
+  181.1324 C8H15N5+ 1 181.1322 0.99
+  182.0917 C6H10N6O+ 2 182.0911 3.52
+  188.1057 C10H12N4+ 1 188.1056 0.37
+  197.1028 C8H13N4O2+ 3 197.1033 -2.32
+  199.071 C6H9N5O3+ 2 199.07 4.91
+  206.0918 C10H12N3O2+ 2 206.0924 -2.69
+PK$NUM_PEAK: 53
+PK$PEAK: m/z int. rel.int.
+  106.065 40072.4 20
+  108.0567 124748.7 63
+  108.0806 44494.9 22
+  110.0598 45529.8 23
+  110.0711 25944.4 13
+  111.0549 147531.1 75
+  111.0914 30580.2 15
+  112.0391 32971.4 16
+  112.0867 345740.9 176
+  112.1119 39311.6 20
+  113.0707 228366.8 116
+  114.0545 89261.1 45
+  114.1022 29869.1 15
+  115.0864 203308.7 104
+  117.057 89853.9 45
+  120.0806 42507.8 21
+  121.0645 441543.9 225
+  123.0799 91188.6 46
+  124.0864 24189.5 12
+  124.1116 112777.7 57
+  125.0708 158189.9 80
+  129.0654 80542.8 41
+  132.0806 180258.2 92
+  133.0643 30268.4 15
+  133.0882 107192.6 54
+  134.0595 105106 53
+  135.0801 260579.5 133
+  135.0914 23023.6 11
+  136.1116 243306.5 124
+  137.0707 33231.4 17
+  137.1072 27075.1 13
+  138.0659 172142.6 88
+  138.09 68740.2 35
+  141.0652 69504.1 35
+  141.1019 54330.5 27
+  149.07 119595.4 61
+  149.0831 353457.5 180
+  150.102 93403.9 47
+  153.0656 126107.1 64
+  153.1015 74010.6 37
+  153.1379 48328 24
+  157.1075 27830.6 14
+  162.1025 38892.4 19
+  164.1063 1952066 999
+  178.0968 53856.8 27
+  180.1121 35649.8 18
+  181.0962 71350.5 36
+  181.1324 56948.3 29
+  182.0917 34592.1 17
+  188.1057 34095.2 17
+  197.1028 40512.7 20
+  199.071 40323.6 20
+  206.0918 28974.6 14
+//
diff --git a/Eawag/MSBNK-EAWAG-ED053209.txt b/Eawag/MSBNK-EAWAG-ED053209.txt
new file mode 100644
index 0000000000..3ab4eeba3c
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED053209.txt
@@ -0,0 +1,138 @@
+ACCESSION: MSBNK-EAWAG-ED053209
+RECORD_TITLE: Cyanopeptolin 1014; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.aquatox.2023.106689
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 532
+CH$NAME: Cyanopeptolin 1014
+CH$NAME: 5-((15-(3-guanidinopropyl)-21-hydroxy-5-(4-hydroxybenzyl)-2-isobutyl-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-4-octanamido-5-oxopentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C49H78N10O13
+CH$EXACT_MASS: 1014.574983
+CH$SMILES: O=C(NC(CCCNC(N)=N)C(NC1C(N(C(C(N(C(C(NC2C(C)C)=O)CC3=CC=C(O)C=C3)C)=O)CC(C)C)C(O)CC1)=O)=O)C(C(OC2=O)C)NC(C(CCC(O)=O)NC(CCCCCCC)=O)=O
+CH$IUPAC: InChI=1S/C49H78N10O13/c1-8-9-10-11-12-15-37(61)53-33(21-23-39(63)64)43(66)57-41-29(6)72-48(71)40(28(4)5)56-44(67)35(26-30-16-18-31(60)19-17-30)58(7)47(70)36(25-27(2)3)59-38(62)22-20-34(46(59)69)55-42(65)32(54-45(41)68)14-13-24-52-49(50)51/h16-19,27-29,32-36,38,40-41,60,62H,8-15,20-26H2,1-7H3,(H,53,61)(H,54,68)(H,55,65)(H,56,67)(H,57,66)(H,63,64)(H4,50,51,52)
+CH$LINK: PUBCHEM CID:146684708
+CH$LINK: INCHIKEY XROOLCIJEAHFKQ-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 105-1057
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.674 min
+MS$FOCUSED_ION: BASE_PEAK 1015.5796
+MS$FOCUSED_ION: PRECURSOR_M/Z 1015.5823
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03di-0900000000-f1d2526cff5835dbd3aa
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  106.0651 C7H8N+ 1 106.0651 -0.41
+  108.0568 C7H8O+ 1 108.057 -1.55
+  108.0807 C7H10N+ 1 108.0808 -1.11
+  110.06 C6H8NO+ 1 110.06 0.03
+  110.0708 C5H8N3+ 1 110.0713 -4.57
+  111.0551 C5H7N2O+ 1 111.0553 -1.8
+  111.0916 C6H11N2+ 1 111.0917 -0.65
+  112.0394 C5H6NO2+ 1 112.0393 0.6
+  112.0867 C5H10N3+ 1 112.0869 -2.37
+  113.0707 C5H9N2O+ 1 113.0709 -2.49
+  114.055 C5H8NO2+ 1 114.055 0.26
+  114.1025 C5H12N3+ 1 114.1026 -0.64
+  115.0862 C5H11N2O+ 1 115.0866 -3.3
+  117.0573 C8H7N+ 1 117.0573 -0.19
+  120.0808 C8H10N+ 1 120.0808 0.47
+  121.0645 C8H9O+ 1 121.0648 -2
+  123.0803 C8H11O+ 1 123.0804 -0.97
+  124.0869 C6H10N3+ 1 124.0869 -0.21
+  124.1116 C8H14N+ 1 124.1121 -3.82
+  125.0707 C6H9N2O+ 1 125.0709 -1.95
+  129.0657 C5H9N2O2+ 1 129.0659 -1.54
+  132.0804 C9H10N+ 1 132.0808 -2.71
+  133.0643 C9H9O+ 1 133.0648 -4.03
+  133.0882 C9H11N+ 1 133.0886 -3.38
+  134.0597 C8H8NO+ 1 134.06 -2.4
+  135.08 C9H11O+ 1 135.0804 -3.11
+  135.0913 C8H11N2+ 1 135.0917 -2.68
+  136.0389 C7H6NO2+ 1 136.0393 -3.03
+  136.1118 C9H14N+ 1 136.1121 -2.04
+  137.071 C7H9N2O+ 1 137.0709 0.47
+  137.1071 C8H13N2+ 1 137.1073 -1.38
+  138.0544 C7H8NO2+ 1 138.055 -3.82
+  138.066 C6H8N3O+ 1 138.0662 -1.3
+  139.0501 C6H7N2O2+ 1 139.0502 -0.94
+  141.0658 C6H9N2O2+ 1 141.0659 -0.66
+  141.102 C7H13N2O+ 1 141.1022 -1.48
+  149.0702 C6H7N5+ 2 149.0696 4.15
+  149.0833 C9H11NO+ 1 149.0835 -1.5
+  150.1029 C8H12N3+ 1 150.1026 2.3
+  153.0657 C7H9N2O2+ 1 153.0659 -1.11
+  153.1016 C6H11N5+ 2 153.1009 4.72
+  153.1381 C9H17N2+ 1 153.1386 -3.12
+  164.1062 C8H12N4+ 2 164.1056 3.63
+  165.102 C9H13N2O+ 1 165.1022 -1.4
+  178.0969 C9H12N3O+ 2 178.0975 -3.52
+  180.1125 C7H12N6+ 2 180.1118 4
+  181.0965 C7H11N5O+ 2 181.0958 3.56
+  188.1062 C10H12N4+ 2 188.1056 2.88
+PK$NUM_PEAK: 48
+PK$PEAK: m/z int. rel.int.
+  106.0651 55242.7 48
+  108.0568 154581.5 136
+  108.0807 47357.1 41
+  110.06 41704.4 36
+  110.0708 29784 26
+  111.0551 129648.8 114
+  111.0916 25942.6 22
+  112.0394 36293.1 32
+  112.0867 228732.3 201
+  113.0707 122196.9 107
+  114.055 67226.8 59
+  114.1025 17251.4 15
+  115.0862 129226.7 114
+  117.0573 114558.7 101
+  120.0808 48916.9 43
+  121.0645 443784.1 391
+  123.0803 118256.3 104
+  124.0869 24790 21
+  124.1116 58462.3 51
+  125.0707 140637.7 124
+  129.0657 53255.5 47
+  132.0804 234076.8 206
+  133.0643 44778.7 39
+  133.0882 142881.1 126
+  134.0597 172965.2 152
+  135.08 234941.6 207
+  135.0913 15235.6 13
+  136.0389 58813 51
+  136.1118 148803.3 131
+  137.071 44267.4 39
+  137.1071 30747.3 27
+  138.0544 20867.8 18
+  138.066 120571.1 106
+  139.0501 23365 20
+  141.0658 36107.7 31
+  141.102 46099.7 40
+  149.0702 116653.7 102
+  149.0833 488745.6 431
+  150.1029 79921.9 70
+  153.0657 53437.4 47
+  153.1016 54696.6 48
+  153.1381 12651.7 11
+  164.1062 1131579.8 999
+  165.102 17481.8 15
+  178.0969 39243.3 34
+  180.1125 19960.4 17
+  181.0965 36201 31
+  188.1062 18990.3 16
+//
diff --git a/Eawag/MSBNK-EAWAG-ED053251.txt b/Eawag/MSBNK-EAWAG-ED053251.txt
new file mode 100644
index 0000000000..17febca06b
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED053251.txt
@@ -0,0 +1,48 @@
+ACCESSION: MSBNK-EAWAG-ED053251
+RECORD_TITLE: Cyanopeptolin 1014; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.aquatox.2023.106689
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 532
+CH$NAME: Cyanopeptolin 1014
+CH$NAME: 5-((15-(3-guanidinopropyl)-21-hydroxy-5-(4-hydroxybenzyl)-2-isobutyl-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-4-octanamido-5-oxopentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C49H78N10O13
+CH$EXACT_MASS: 1014.574983
+CH$SMILES: O=C(NC(CCCNC(N)=N)C(NC1C(N(C(C(N(C(C(NC2C(C)C)=O)CC3=CC=C(O)C=C3)C)=O)CC(C)C)C(O)CC1)=O)=O)C(C(OC2=O)C)NC(C(CCC(O)=O)NC(CCCCCCC)=O)=O
+CH$IUPAC: InChI=1S/C49H78N10O13/c1-8-9-10-11-12-15-37(61)53-33(21-23-39(63)64)43(66)57-41-29(6)72-48(71)40(28(4)5)56-44(67)35(26-30-16-18-31(60)19-17-30)58(7)47(70)36(25-27(2)3)59-38(62)22-20-34(46(59)69)55-42(65)32(54-45(41)68)14-13-24-52-49(50)51/h16-19,27-29,32-36,38,40-41,60,62H,8-15,20-26H2,1-7H3,(H,53,61)(H,54,68)(H,55,65)(H,56,67)(H,57,66)(H,63,64)(H4,50,51,52)
+CH$LINK: PUBCHEM CID:146684708
+CH$LINK: INCHIKEY XROOLCIJEAHFKQ-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 105-1055
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.661 min
+MS$FOCUSED_ION: BASE_PEAK 1021.5372
+MS$FOCUSED_ION: PRECURSOR_M/Z 1013.5677
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03di-9000000000-ee7479d25313baae28a3
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  852.426 C41H58N9O11- 5 852.4261 -0.12
+  995.5573 C49H75N10O12- 1 995.5571 0.13
+  1013.5686 C49H77N10O13- 1 1013.5677 0.92
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  852.426 177198.9 15
+  995.5573 645095.1 54
+  1013.5686 11795012 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED053252.txt b/Eawag/MSBNK-EAWAG-ED053252.txt
new file mode 100644
index 0000000000..0352858c2d
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED053252.txt
@@ -0,0 +1,54 @@
+ACCESSION: MSBNK-EAWAG-ED053252
+RECORD_TITLE: Cyanopeptolin 1014; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.aquatox.2023.106689
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 532
+CH$NAME: Cyanopeptolin 1014
+CH$NAME: 5-((15-(3-guanidinopropyl)-21-hydroxy-5-(4-hydroxybenzyl)-2-isobutyl-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-4-octanamido-5-oxopentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C49H78N10O13
+CH$EXACT_MASS: 1014.574983
+CH$SMILES: O=C(NC(CCCNC(N)=N)C(NC1C(N(C(C(N(C(C(NC2C(C)C)=O)CC3=CC=C(O)C=C3)C)=O)CC(C)C)C(O)CC1)=O)=O)C(C(OC2=O)C)NC(C(CCC(O)=O)NC(CCCCCCC)=O)=O
+CH$IUPAC: InChI=1S/C49H78N10O13/c1-8-9-10-11-12-15-37(61)53-33(21-23-39(63)64)43(66)57-41-29(6)72-48(71)40(28(4)5)56-44(67)35(26-30-16-18-31(60)19-17-30)58(7)47(70)36(25-27(2)3)59-38(62)22-20-34(46(59)69)55-42(65)32(54-45(41)68)14-13-24-52-49(50)51/h16-19,27-29,32-36,38,40-41,60,62H,8-15,20-26H2,1-7H3,(H,53,61)(H,54,68)(H,55,65)(H,56,67)(H,57,66)(H,63,64)(H4,50,51,52)
+CH$LINK: PUBCHEM CID:146684708
+CH$LINK: INCHIKEY XROOLCIJEAHFKQ-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 105-1055
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.661 min
+MS$FOCUSED_ION: BASE_PEAK 1021.5372
+MS$FOCUSED_ION: PRECURSOR_M/Z 1013.5677
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03dj-9000010004-4d1695a3568da3142fe2
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  531.2677 C38H33N3- 9 531.268 -0.52
+  549.279 C24H37N8O7- 9 549.2791 -0.12
+  764.4108 C41H52N10O5- 9 764.4128 -2.56
+  852.4266 C41H58N9O11- 5 852.4261 0.52
+  995.5572 C49H75N10O12- 1 995.5571 0.07
+  1013.5677 C49H77N10O13- 1 1013.5677 0.02
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  531.2677 176511.1 30
+  549.279 619194.1 108
+  764.4108 194720.1 34
+  852.4266 594070.4 103
+  995.5572 2661873 465
+  1013.5677 5714984 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED053253.txt b/Eawag/MSBNK-EAWAG-ED053253.txt
new file mode 100644
index 0000000000..01b53ea4a3
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED053253.txt
@@ -0,0 +1,58 @@
+ACCESSION: MSBNK-EAWAG-ED053253
+RECORD_TITLE: Cyanopeptolin 1014; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.aquatox.2023.106689
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 532
+CH$NAME: Cyanopeptolin 1014
+CH$NAME: 5-((15-(3-guanidinopropyl)-21-hydroxy-5-(4-hydroxybenzyl)-2-isobutyl-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-4-octanamido-5-oxopentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C49H78N10O13
+CH$EXACT_MASS: 1014.574983
+CH$SMILES: O=C(NC(CCCNC(N)=N)C(NC1C(N(C(C(N(C(C(NC2C(C)C)=O)CC3=CC=C(O)C=C3)C)=O)CC(C)C)C(O)CC1)=O)=O)C(C(OC2=O)C)NC(C(CCC(O)=O)NC(CCCCCCC)=O)=O
+CH$IUPAC: InChI=1S/C49H78N10O13/c1-8-9-10-11-12-15-37(61)53-33(21-23-39(63)64)43(66)57-41-29(6)72-48(71)40(28(4)5)56-44(67)35(26-30-16-18-31(60)19-17-30)58(7)47(70)36(25-27(2)3)59-38(62)22-20-34(46(59)69)55-42(65)32(54-45(41)68)14-13-24-52-49(50)51/h16-19,27-29,32-36,38,40-41,60,62H,8-15,20-26H2,1-7H3,(H,53,61)(H,54,68)(H,55,65)(H,56,67)(H,57,66)(H,63,64)(H4,50,51,52)
+CH$LINK: PUBCHEM CID:146684708
+CH$LINK: INCHIKEY XROOLCIJEAHFKQ-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 105-1055
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.661 min
+MS$FOCUSED_ION: BASE_PEAK 1021.5372
+MS$FOCUSED_ION: PRECURSOR_M/Z 1013.5677
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0f6t-3000030169-ccf717266b0f9c27cb1a
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  531.2681 C38H33N3- 8 531.268 0.17
+  549.2788 C24H37N8O7- 8 549.2791 -0.45
+  764.4103 C41H52N10O5- 9 764.4128 -3.27
+  772.4369 C37H58N9O9- 11 772.4363 0.75
+  852.4258 C41H58N9O11- 4 852.4261 -0.41
+  853.4283 C49H61N2O11- 5 853.4281 0.23
+  995.5567 C49H75N10O12- 1 995.5571 -0.48
+  1013.567 C49H77N10O13- 1 1013.5677 -0.71
+PK$NUM_PEAK: 8
+PK$PEAK: m/z int. rel.int.
+  531.2681 328869.2 92
+  549.2788 1067786.6 301
+  764.4103 309862.2 87
+  772.4369 411379.7 116
+  852.4258 2493817 704
+  853.4283 177188.8 50
+  995.5567 3537480.5 999
+  1013.567 1442115.9 407
+//
diff --git a/Eawag/MSBNK-EAWAG-ED053254.txt b/Eawag/MSBNK-EAWAG-ED053254.txt
new file mode 100644
index 0000000000..0c15d4e39e
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED053254.txt
@@ -0,0 +1,68 @@
+ACCESSION: MSBNK-EAWAG-ED053254
+RECORD_TITLE: Cyanopeptolin 1014; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.aquatox.2023.106689
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 532
+CH$NAME: Cyanopeptolin 1014
+CH$NAME: 5-((15-(3-guanidinopropyl)-21-hydroxy-5-(4-hydroxybenzyl)-2-isobutyl-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-4-octanamido-5-oxopentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C49H78N10O13
+CH$EXACT_MASS: 1014.574983
+CH$SMILES: O=C(NC(CCCNC(N)=N)C(NC1C(N(C(C(N(C(C(NC2C(C)C)=O)CC3=CC=C(O)C=C3)C)=O)CC(C)C)C(O)CC1)=O)=O)C(C(OC2=O)C)NC(C(CCC(O)=O)NC(CCCCCCC)=O)=O
+CH$IUPAC: InChI=1S/C49H78N10O13/c1-8-9-10-11-12-15-37(61)53-33(21-23-39(63)64)43(66)57-41-29(6)72-48(71)40(28(4)5)56-44(67)35(26-30-16-18-31(60)19-17-30)58(7)47(70)36(25-27(2)3)59-38(62)22-20-34(46(59)69)55-42(65)32(54-45(41)68)14-13-24-52-49(50)51/h16-19,27-29,32-36,38,40-41,60,62H,8-15,20-26H2,1-7H3,(H,53,61)(H,54,68)(H,55,65)(H,56,67)(H,57,66)(H,63,64)(H4,50,51,52)
+CH$LINK: PUBCHEM CID:146684708
+CH$LINK: INCHIKEY XROOLCIJEAHFKQ-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 105-1055
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.661 min
+MS$FOCUSED_ION: BASE_PEAK 1021.5372
+MS$FOCUSED_ION: PRECURSOR_M/Z 1013.5677
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0udi-0000020191-e7bb372caa38a7e4bab5
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  179.0456 C8H7N2O3- 2 179.0462 -3.5
+  251.1145 C11H15N4O3- 3 251.115 -1.78
+  307.1654 C16H23N2O4- 4 307.1663 -3.13
+  507.2564 C34H35O4- 9 507.2541 4.65
+  515.2872 C27H39N4O6- 9 515.2875 -0.68
+  549.2789 C24H37N8O7- 8 549.2791 -0.23
+  764.4109 C41H52N10O5- 9 764.4128 -2.4
+  772.4369 C37H58N9O9- 11 772.4363 0.83
+  810.4058 C42H58N4O12- 8 810.4057 0.22
+  835.3986 C41H55N8O11- 5 835.3996 -1.17
+  852.4264 C41H58N9O11- 5 852.4261 0.38
+  853.4287 C49H61N2O11- 4 853.4281 0.73
+  995.5565 C49H75N10O12- 1 995.5571 -0.6
+PK$NUM_PEAK: 13
+PK$PEAK: m/z int. rel.int.
+  179.0456 65944.1 22
+  251.1145 54871.3 19
+  307.1654 48496.9 16
+  507.2564 133070.1 46
+  515.2872 99448.9 34
+  549.2789 655115.9 227
+  764.4109 158970.9 55
+  772.4369 416908.5 144
+  810.4058 205070.6 71
+  835.3986 284783.1 98
+  852.4264 2882262 999
+  853.4287 210541.7 72
+  995.5565 727448.9 252
+//
diff --git a/Eawag/MSBNK-EAWAG-ED055101.txt b/Eawag/MSBNK-EAWAG-ED055101.txt
new file mode 100644
index 0000000000..38e8d36d37
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED055101.txt
@@ -0,0 +1,46 @@
+ACCESSION: MSBNK-EAWAG-ED055101
+RECORD_TITLE: Cyanopeptolin CP990; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md21100508
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 551
+CH$NAME: Cyanopeptolin CP990
+CH$NAME: 4-((2,5-dibenzyl-15-(3-guanidinopropyl)-21-hydroxy-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-hexanamido-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C49H70N10O12
+CH$EXACT_MASS: 990.5174677
+CH$SMILES: O=C(NC(C(NC(C(NC(CCCNC(N)=N)C(NC1C(N(C(C(N(C(C(NC2C(C)C)=O)CC3=CC=CC=C3)C)=O)CC4=CC=CC=C4)C(O)CC1)=O)=O)=O)C(OC2=O)C)=O)CC(O)=O)CCCCC
+CH$IUPAC: InChI=1S/C49H70N10O12/c1-6-7-10-21-37(60)53-34(27-39(62)63)43(65)57-41-29(4)71-48(70)40(28(2)3)56-44(66)35(25-30-16-11-8-12-17-30)58(5)47(69)36(26-31-18-13-9-14-19-31)59-38(61)23-22-33(46(59)68)55-42(64)32(54-45(41)67)20-15-24-52-49(50)51/h8-9,11-14,16-19,28-29,32-36,38,40-41,61H,6-7,10,15,20-27H2,1-5H3,(H,53,60)(H,54,67)(H,55,64)(H,56,66)(H,57,65)(H,62,63)(H4,50,51,52)
+CH$LINK: PUBCHEM CID:146682046
+CH$LINK: INCHIKEY HFRWIDDUABJXBW-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 103-1032
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.639 min
+MS$FOCUSED_ION: BASE_PEAK 991.5246
+MS$FOCUSED_ION: PRECURSOR_M/Z 991.5247
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0006-0000000009-607850d2077a955a5129
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  973.5145 C49H69N10O11+ 1 973.5142 0.33
+  991.5244 C49H71N10O12+ 1 991.5247 -0.35
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  973.5145 957276.9 15
+  991.5244 60220212 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED055102.txt b/Eawag/MSBNK-EAWAG-ED055102.txt
new file mode 100644
index 0000000000..fe1a4f3030
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED055102.txt
@@ -0,0 +1,48 @@
+ACCESSION: MSBNK-EAWAG-ED055102
+RECORD_TITLE: Cyanopeptolin CP990; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md21100508
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 551
+CH$NAME: Cyanopeptolin CP990
+CH$NAME: 4-((2,5-dibenzyl-15-(3-guanidinopropyl)-21-hydroxy-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-hexanamido-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C49H70N10O12
+CH$EXACT_MASS: 990.5174677
+CH$SMILES: O=C(NC(C(NC(C(NC(CCCNC(N)=N)C(NC1C(N(C(C(N(C(C(NC2C(C)C)=O)CC3=CC=CC=C3)C)=O)CC4=CC=CC=C4)C(O)CC1)=O)=O)=O)C(OC2=O)C)=O)CC(O)=O)CCCCC
+CH$IUPAC: InChI=1S/C49H70N10O12/c1-6-7-10-21-37(60)53-34(27-39(62)63)43(65)57-41-29(4)71-48(70)40(28(2)3)56-44(66)35(25-30-16-11-8-12-17-30)58(5)47(69)36(26-31-18-13-9-14-19-31)59-38(61)23-22-33(46(59)68)55-42(64)32(54-45(41)67)20-15-24-52-49(50)51/h8-9,11-14,16-19,28-29,32-36,38,40-41,61H,6-7,10,15,20-27H2,1-5H3,(H,53,60)(H,54,67)(H,55,64)(H,56,66)(H,57,65)(H,62,63)(H4,50,51,52)
+CH$LINK: PUBCHEM CID:146682046
+CH$LINK: INCHIKEY HFRWIDDUABJXBW-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 103-1032
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.639 min
+MS$FOCUSED_ION: BASE_PEAK 991.5246
+MS$FOCUSED_ION: PRECURSOR_M/Z 991.5247
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0006-0000000009-e087a9fada7a624595c1
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  778.4247 C39H56N9O8+ 7 778.4246 0.04
+  973.5146 C49H69N10O11+ 1 973.5142 0.45
+  991.5245 C49H71N10O12+ 1 991.5247 -0.29
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  778.4247 2658533.5 55
+  973.5146 7326860 151
+  991.5245 48191536 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED055103.txt b/Eawag/MSBNK-EAWAG-ED055103.txt
new file mode 100644
index 0000000000..501698701c
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED055103.txt
@@ -0,0 +1,54 @@
+ACCESSION: MSBNK-EAWAG-ED055103
+RECORD_TITLE: Cyanopeptolin CP990; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md21100508
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 551
+CH$NAME: Cyanopeptolin CP990
+CH$NAME: 4-((2,5-dibenzyl-15-(3-guanidinopropyl)-21-hydroxy-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-hexanamido-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C49H70N10O12
+CH$EXACT_MASS: 990.5174677
+CH$SMILES: O=C(NC(C(NC(C(NC(CCCNC(N)=N)C(NC1C(N(C(C(N(C(C(NC2C(C)C)=O)CC3=CC=CC=C3)C)=O)CC4=CC=CC=C4)C(O)CC1)=O)=O)=O)C(OC2=O)C)=O)CC(O)=O)CCCCC
+CH$IUPAC: InChI=1S/C49H70N10O12/c1-6-7-10-21-37(60)53-34(27-39(62)63)43(65)57-41-29(4)71-48(70)40(28(2)3)56-44(66)35(25-30-16-11-8-12-17-30)58(5)47(69)36(26-31-18-13-9-14-19-31)59-38(61)23-22-33(46(59)68)55-42(64)32(54-45(41)67)20-15-24-52-49(50)51/h8-9,11-14,16-19,28-29,32-36,38,40-41,61H,6-7,10,15,20-27H2,1-5H3,(H,53,60)(H,54,67)(H,55,64)(H,56,66)(H,57,65)(H,62,63)(H4,50,51,52)
+CH$LINK: PUBCHEM CID:146682046
+CH$LINK: INCHIKEY HFRWIDDUABJXBW-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 103-1032
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.639 min
+MS$FOCUSED_ION: BASE_PEAK 991.5246
+MS$FOCUSED_ION: PRECURSOR_M/Z 991.5247
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-006x-0000000109-cc6a8194128373a4d3f7
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  404.1969 C24H26N3O3+ 5 404.1969 0.06
+  760.4145 C40H60N2O12+ 9 760.4141 0.59
+  778.425 C39H56N9O8+ 9 778.4246 0.51
+  945.5217 C48H69N10O10+ 1 945.5193 2.62
+  973.5148 C49H69N10O11+ 1 973.5142 0.64
+  991.5252 C49H71N10O12+ 1 991.5247 0.45
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  404.1969 808355.7 28
+  760.4145 4358659 152
+  778.425 5400365 188
+  945.5217 371105.1 12
+  973.5148 17405196 609
+  991.5252 28550064 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED055104.txt b/Eawag/MSBNK-EAWAG-ED055104.txt
new file mode 100644
index 0000000000..24ce378270
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED055104.txt
@@ -0,0 +1,70 @@
+ACCESSION: MSBNK-EAWAG-ED055104
+RECORD_TITLE: Cyanopeptolin CP990; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md21100508
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 551
+CH$NAME: Cyanopeptolin CP990
+CH$NAME: 4-((2,5-dibenzyl-15-(3-guanidinopropyl)-21-hydroxy-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-hexanamido-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C49H70N10O12
+CH$EXACT_MASS: 990.5174677
+CH$SMILES: O=C(NC(C(NC(C(NC(CCCNC(N)=N)C(NC1C(N(C(C(N(C(C(NC2C(C)C)=O)CC3=CC=CC=C3)C)=O)CC4=CC=CC=C4)C(O)CC1)=O)=O)=O)C(OC2=O)C)=O)CC(O)=O)CCCCC
+CH$IUPAC: InChI=1S/C49H70N10O12/c1-6-7-10-21-37(60)53-34(27-39(62)63)43(65)57-41-29(4)71-48(70)40(28(2)3)56-44(66)35(25-30-16-11-8-12-17-30)58(5)47(69)36(26-31-18-13-9-14-19-31)59-38(61)23-22-33(46(59)68)55-42(64)32(54-45(41)67)20-15-24-52-49(50)51/h8-9,11-14,16-19,28-29,32-36,38,40-41,61H,6-7,10,15,20-27H2,1-5H3,(H,53,60)(H,54,67)(H,55,64)(H,56,66)(H,57,65)(H,62,63)(H4,50,51,52)
+CH$LINK: PUBCHEM CID:146682046
+CH$LINK: INCHIKEY HFRWIDDUABJXBW-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 103-1032
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.639 min
+MS$FOCUSED_ION: BASE_PEAK 991.5246
+MS$FOCUSED_ION: PRECURSOR_M/Z 991.5247
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-022c-0000100409-a9cfed48640a4f8daa67
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  112.0872 C5H10N3+ 1 112.0869 2.24
+  134.0965 C9H12N+ 1 134.0964 0.26
+  215.118 C13H15N2O+ 2 215.1179 0.63
+  223.1191 C10H15N4O2+ 1 223.119 0.83
+  243.1129 C14H15N2O2+ 2 243.1128 0.46
+  279.1692 C13H21N5O2+ 2 279.169 0.96
+  309.1607 C7H25N4O9+ 3 309.1616 -2.96
+  404.1969 C24H26N3O3+ 5 404.1969 0.13
+  453.2455 C20H33N6O6+ 6 453.2456 -0.18
+  760.4145 C40H60N2O12+ 9 760.4141 0.59
+  778.4252 C39H56N9O8+ 9 778.4246 0.67
+  945.5202 C48H69N10O10+ 1 945.5193 1.01
+  973.5149 C49H69N10O11+ 1 973.5142 0.77
+  991.5259 C49H71N10O12+ 1 991.5247 1.13
+PK$NUM_PEAK: 14
+PK$PEAK: m/z int. rel.int.
+  112.0872 176941.1 15
+  134.0965 1347372.2 119
+  215.118 348543.2 30
+  223.1191 343937.4 30
+  243.1129 677439.4 60
+  279.1692 160416 14
+  309.1607 181327.3 16
+  404.1969 2241660 199
+  453.2455 550532.8 48
+  760.4145 6660267.5 592
+  778.4252 4648953.5 413
+  945.5202 905563.1 80
+  973.5149 11238999 999
+  991.5259 10077915 895
+//
diff --git a/Eawag/MSBNK-EAWAG-ED055105.txt b/Eawag/MSBNK-EAWAG-ED055105.txt
new file mode 100644
index 0000000000..18aabbacd3
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED055105.txt
@@ -0,0 +1,126 @@
+ACCESSION: MSBNK-EAWAG-ED055105
+RECORD_TITLE: Cyanopeptolin CP990; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md21100508
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 551
+CH$NAME: Cyanopeptolin CP990
+CH$NAME: 4-((2,5-dibenzyl-15-(3-guanidinopropyl)-21-hydroxy-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-hexanamido-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C49H70N10O12
+CH$EXACT_MASS: 990.5174677
+CH$SMILES: O=C(NC(C(NC(C(NC(CCCNC(N)=N)C(NC1C(N(C(C(N(C(C(NC2C(C)C)=O)CC3=CC=CC=C3)C)=O)CC4=CC=CC=C4)C(O)CC1)=O)=O)=O)C(OC2=O)C)=O)CC(O)=O)CCCCC
+CH$IUPAC: InChI=1S/C49H70N10O12/c1-6-7-10-21-37(60)53-34(27-39(62)63)43(65)57-41-29(4)71-48(70)40(28(2)3)56-44(66)35(25-30-16-11-8-12-17-30)58(5)47(69)36(26-31-18-13-9-14-19-31)59-38(61)23-22-33(46(59)68)55-42(64)32(54-45(41)67)20-15-24-52-49(50)51/h8-9,11-14,16-19,28-29,32-36,38,40-41,61H,6-7,10,15,20-27H2,1-5H3,(H,53,60)(H,54,67)(H,55,64)(H,56,66)(H,57,65)(H,62,63)(H4,50,51,52)
+CH$LINK: PUBCHEM CID:146682046
+CH$LINK: INCHIKEY HFRWIDDUABJXBW-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 103-1032
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.639 min
+MS$FOCUSED_ION: BASE_PEAK 991.5246
+MS$FOCUSED_ION: PRECURSOR_M/Z 991.5247
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-001i-0950100000-fa61a29ba16af18a2211
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  105.0698 C8H9+ 1 105.0699 -0.66
+  112.0869 C5H10N3+ 1 112.0869 0.13
+  113.0709 C5H9N2O+ 1 113.0709 -0.21
+  114.0549 C5H8NO2+ 1 114.055 -0.29
+  115.0864 C5H11N2O+ 1 115.0866 -1.51
+  119.0733 C8H9N+ 1 119.073 2.88
+  120.0808 C8H10N+ 1 120.0808 0.26
+  134.0964 C9H12N+ 1 134.0964 -0.3
+  138.0662 C6H8N3O+ 1 138.0662 -0.09
+  139.0984 C6H11N4+ 1 139.0978 4.23
+  140.0817 C6H10N3O+ 1 140.0818 -0.8
+  149.0713 C8H9N2O+ 1 149.0709 2.73
+  153.0658 C7H9N2O2+ 1 153.0659 -0.3
+  153.1025 C8H13N2O+ 1 153.1022 1.54
+  156.0768 C6H10N3O2+ 1 156.0768 0.56
+  157.1084 C6H13N4O+ 1 157.1084 -0.01
+  158.0964 C11H12N+ 1 158.0964 0.1
+  162.0904 C8H10N4+ 1 162.09 2.57
+  170.0963 C12H12N+ 1 170.0964 -0.71
+  178.0979 C9H12N3O+ 1 178.0975 2.16
+  186.1127 C9H16NO3+ 1 186.1125 1.35
+  187.1231 C12H15N2+ 1 187.123 0.59
+  195.1247 C9H15N4O+ 2 195.124 3.43
+  197.1038 C8H13N4O2+ 2 197.1033 2.72
+  199.0716 C8H11N2O4+ 1 199.0713 1.42
+  208.1083 C10H14N3O2+ 1 208.1081 1.31
+  214.1078 C10H16NO4+ 2 214.1074 2
+  215.118 C13H15N2O+ 2 215.1179 0.49
+  223.1192 C10H15N4O2+ 1 223.119 0.9
+  226.0862 H14N6O8+ 2 226.0868 -2.68
+  241.1295 C10H17N4O3+ 1 241.1295 0.06
+  243.113 C14H15N2O2+ 2 243.1128 0.96
+  252.1454 C11H18N5O2+ 1 252.1455 -0.25
+  292.134 C6H16N10O4+ 4 292.1351 -3.65
+  297.145 H23N7O11+ 5 297.145 0.14
+  309.1619 C7H25N4O9+ 3 309.1616 1.08
+  338.1462 H22N10O11+ 7 338.1464 -0.73
+  404.1967 C24H26N3O3+ 6 404.1969 -0.4
+  436.2187 C20H30N5O6+ 7 436.2191 -0.88
+  453.2457 C20H33N6O6+ 6 453.2456 0.3
+  778.4252 C39H56N9O8+ 9 778.4246 0.75
+  973.5165 C49H69N10O11+ 1 973.5142 2.4
+PK$NUM_PEAK: 42
+PK$PEAK: m/z int. rel.int.
+  105.0698 43719.8 10
+  112.0869 796103.9 187
+  113.0709 503091.5 118
+  114.0549 60038.7 14
+  115.0864 232769.9 54
+  119.0733 66055.8 15
+  120.0808 1010490.4 237
+  134.0964 4247430 999
+  138.0662 430737.4 101
+  139.0984 55524.1 13
+  140.0817 64152.7 15
+  149.0713 75966.4 17
+  153.0658 72267.9 16
+  153.1025 71239.8 16
+  156.0768 44326.2 10
+  157.1084 146358.2 34
+  158.0964 212753.2 50
+  162.0904 389039.2 91
+  170.0963 207394.5 48
+  178.0979 59381 13
+  186.1127 48241.8 11
+  187.1231 413564.5 97
+  195.1247 158389.1 37
+  197.1038 395430.4 93
+  199.0716 220343.1 51
+  208.1083 49746.1 11
+  214.1078 243572.6 57
+  215.118 1515683 356
+  223.1192 1085667.4 255
+  226.0862 91666.1 21
+  241.1295 483377.6 113
+  243.113 1213753.5 285
+  252.1454 52524.6 12
+  292.134 814003.1 191
+  297.145 223528.1 52
+  309.1619 164903.6 38
+  338.1462 427908.5 100
+  404.1967 702464.9 165
+  436.2187 644346.2 151
+  453.2457 346853.8 81
+  778.4252 231470.4 54
+  973.5165 259884 61
+//
diff --git a/Eawag/MSBNK-EAWAG-ED055106.txt b/Eawag/MSBNK-EAWAG-ED055106.txt
new file mode 100644
index 0000000000..501606b0fe
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED055106.txt
@@ -0,0 +1,140 @@
+ACCESSION: MSBNK-EAWAG-ED055106
+RECORD_TITLE: Cyanopeptolin CP990; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md21100508
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 551
+CH$NAME: Cyanopeptolin CP990
+CH$NAME: 4-((2,5-dibenzyl-15-(3-guanidinopropyl)-21-hydroxy-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-hexanamido-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C49H70N10O12
+CH$EXACT_MASS: 990.5174677
+CH$SMILES: O=C(NC(C(NC(C(NC(CCCNC(N)=N)C(NC1C(N(C(C(N(C(C(NC2C(C)C)=O)CC3=CC=CC=C3)C)=O)CC4=CC=CC=C4)C(O)CC1)=O)=O)=O)C(OC2=O)C)=O)CC(O)=O)CCCCC
+CH$IUPAC: InChI=1S/C49H70N10O12/c1-6-7-10-21-37(60)53-34(27-39(62)63)43(65)57-41-29(4)71-48(70)40(28(2)3)56-44(66)35(25-30-16-11-8-12-17-30)58(5)47(69)36(26-31-18-13-9-14-19-31)59-38(61)23-22-33(46(59)68)55-42(64)32(54-45(41)67)20-15-24-52-49(50)51/h8-9,11-14,16-19,28-29,32-36,38,40-41,61H,6-7,10,15,20-27H2,1-5H3,(H,53,60)(H,54,67)(H,55,64)(H,56,66)(H,57,65)(H,62,63)(H4,50,51,52)
+CH$LINK: PUBCHEM CID:146682046
+CH$LINK: INCHIKEY HFRWIDDUABJXBW-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 103-1032
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.639 min
+MS$FOCUSED_ION: BASE_PEAK 991.5246
+MS$FOCUSED_ION: PRECURSOR_M/Z 991.5247
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0089-0920000000-e86c17e1b7f3a092c6d2
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  110.0714 C5H8N3+ 1 110.0713 0.73
+  111.0553 C5H7N2O+ 1 111.0553 0.37
+  112.0869 C5H10N3+ 1 112.0869 -0.15
+  113.0709 C5H9N2O+ 1 113.0709 -0.01
+  114.0551 C5H8NO2+ 1 114.055 0.98
+  114.1025 C5H12N3+ 1 114.1026 -0.26
+  115.0866 C5H11N2O+ 1 115.0866 -0.25
+  119.0729 C8H9N+ 1 119.073 -0.39
+  120.0808 C8H10N+ 1 120.0808 0
+  125.0711 C6H9N2O+ 1 125.0709 1.4
+  134.0964 C9H12N+ 1 134.0964 -0.3
+  137.1073 C8H13N2+ 1 137.1073 -0.26
+  138.0661 C6H8N3O+ 1 138.0662 -0.42
+  138.0911 C8H12NO+ 1 138.0913 -1.46
+  139.098 C6H11N4+ 1 139.0978 0.94
+  140.0816 C6H10N3O+ 1 140.0818 -1.56
+  141.0659 C6H9N2O2+ 1 141.0659 0.41
+  141.1016 C7H13N2O+ 1 141.1022 -4.51
+  146.0961 C10H12N+ 1 146.0964 -2.24
+  149.0708 C8H9N2O+ 1 149.0709 -0.75
+  150.1025 C8H12N3+ 1 150.1026 -0.25
+  153.066 C7H9N2O2+ 1 153.0659 1
+  153.1023 C8H13N2O+ 1 153.1022 0.15
+  157.1083 C6H13N4O+ 1 157.1084 -0.4
+  158.0964 C11H12N+ 1 158.0964 -0.48
+  160.0755 C10H10NO+ 1 160.0757 -1.19
+  162.0902 C8H10N4+ 1 162.09 1.06
+  165.1027 C9H13N2O+ 1 165.1022 2.74
+  166.0978 C8H12N3O+ 1 166.0975 1.75
+  170.0964 C12H12N+ 1 170.0964 -0.08
+  171.0765 C7H11N2O3+ 1 171.0764 0.22
+  178.0977 C9H12N3O+ 1 178.0975 1.04
+  180.0775 C10H12O3+ 2 180.0781 -3.36
+  181.095 C6H15NO5+ 3 181.0945 2.79
+  187.1229 C12H15N2+ 1 187.123 -0.23
+  195.1243 C9H15N4O+ 1 195.124 1.48
+  197.1036 C8H13N4O2+ 1 197.1033 1.32
+  199.0714 C8H11N2O4+ 1 199.0713 0.5
+  206.0926 C10H12N3O2+ 1 206.0924 0.75
+  208.1086 C10H14N3O2+ 2 208.1081 2.41
+  214.1076 C10H16NO4+ 1 214.1074 1
+  215.1181 C13H15N2O+ 2 215.1179 0.77
+  216.0983 C8H14N3O4+ 3 216.0979 1.86
+  223.1191 C10H15N4O2+ 1 223.119 0.76
+  226.0868 H14N6O8+ 2 226.0868 0.22
+  241.1295 C10H17N4O3+ 1 241.1295 -0.19
+  292.1341 C6H16N10O4+ 4 292.1351 -3.13
+  297.145 H23N7O11+ 5 297.145 -0.16
+  338.1462 H22N10O11+ 7 338.1464 -0.55
+PK$NUM_PEAK: 49
+PK$PEAK: m/z int. rel.int.
+  110.0714 57829.8 11
+  111.0553 68550.8 13
+  112.0869 1003114.7 203
+  113.0709 745145.6 151
+  114.0551 94517.7 19
+  114.1025 88918.6 18
+  115.0866 420468.7 85
+  119.0729 235179.8 47
+  120.0808 2063995 419
+  125.0711 94155.4 19
+  134.0964 4915929.5 999
+  137.1073 51023.6 10
+  138.0661 523990.9 106
+  138.0911 65182.8 13
+  139.098 51250.3 10
+  140.0816 158241.5 32
+  141.0659 86243.1 17
+  141.1016 100604.3 20
+  146.0961 268344.2 54
+  149.0708 345758 70
+  150.1025 63961.9 12
+  153.066 253918.8 51
+  153.1023 131424.6 26
+  157.1083 214991.8 43
+  158.0964 453461.2 92
+  160.0755 57574.9 11
+  162.0902 381006.5 77
+  165.1027 56559.8 11
+  166.0978 107191.3 21
+  170.0964 694551.1 141
+  171.0765 84706.1 17
+  178.0977 151924.6 30
+  180.0775 67709.5 13
+  181.095 166622.1 33
+  187.1229 392717.8 79
+  195.1243 213590.1 43
+  197.1036 391787.7 79
+  199.0714 434904.8 88
+  206.0926 65401.9 13
+  208.1086 112056.1 22
+  214.1076 188101.9 38
+  215.1181 1066319 216
+  216.0983 158270.7 32
+  223.1191 652321.9 132
+  226.0868 118493.7 24
+  241.1295 295299.5 60
+  292.1341 832277.1 169
+  297.145 106319.7 21
+  338.1462 372539.1 75
+//
diff --git a/Eawag/MSBNK-EAWAG-ED055107.txt b/Eawag/MSBNK-EAWAG-ED055107.txt
new file mode 100644
index 0000000000..ac2f8420b0
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED055107.txt
@@ -0,0 +1,150 @@
+ACCESSION: MSBNK-EAWAG-ED055107
+RECORD_TITLE: Cyanopeptolin CP990; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md21100508
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 551
+CH$NAME: Cyanopeptolin CP990
+CH$NAME: 4-((2,5-dibenzyl-15-(3-guanidinopropyl)-21-hydroxy-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-hexanamido-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C49H70N10O12
+CH$EXACT_MASS: 990.5174677
+CH$SMILES: O=C(NC(C(NC(C(NC(CCCNC(N)=N)C(NC1C(N(C(C(N(C(C(NC2C(C)C)=O)CC3=CC=CC=C3)C)=O)CC4=CC=CC=C4)C(O)CC1)=O)=O)=O)C(OC2=O)C)=O)CC(O)=O)CCCCC
+CH$IUPAC: InChI=1S/C49H70N10O12/c1-6-7-10-21-37(60)53-34(27-39(62)63)43(65)57-41-29(4)71-48(70)40(28(2)3)56-44(66)35(25-30-16-11-8-12-17-30)58(5)47(69)36(26-31-18-13-9-14-19-31)59-38(61)23-22-33(46(59)68)55-42(64)32(54-45(41)67)20-15-24-52-49(50)51/h8-9,11-14,16-19,28-29,32-36,38,40-41,61H,6-7,10,15,20-27H2,1-5H3,(H,53,60)(H,54,67)(H,55,64)(H,56,66)(H,57,65)(H,62,63)(H4,50,51,52)
+CH$LINK: PUBCHEM CID:146682046
+CH$LINK: INCHIKEY HFRWIDDUABJXBW-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 103-1032
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.639 min
+MS$FOCUSED_ION: BASE_PEAK 991.5246
+MS$FOCUSED_ION: PRECURSOR_M/Z 991.5247
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0089-0900000000-0cbfa39b8a9e78b0c3ed
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  105.0339 C7H5O+ 1 105.0335 3.63
+  105.0699 C8H9+ 1 105.0699 0.21
+  110.0603 C6H8NO+ 1 110.06 2.56
+  111.0553 C5H7N2O+ 1 111.0553 0.51
+  111.0917 C6H11N2+ 1 111.0917 -0.19
+  112.0397 C5H6NO2+ 1 112.0393 3.63
+  112.0869 C5H10N3+ 1 112.0869 -0.01
+  113.0709 C5H9N2O+ 1 113.0709 -0.35
+  114.0552 C5H8NO2+ 1 114.055 1.92
+  115.0866 C5H11N2O+ 1 115.0866 -0.12
+  118.0655 C8H8N+ 1 118.0651 3.42
+  119.0728 C8H9N+ 1 119.073 -0.96
+  120.0808 C8H10N+ 1 120.0808 0.26
+  125.0709 C6H9N2O+ 1 125.0709 -0.49
+  132.0808 C9H10N+ 1 132.0808 -0.1
+  134.0964 C9H12N+ 1 134.0964 -0.19
+  136.0389 C7H6NO2+ 1 136.0393 -2.7
+  137.0709 C7H9N2O+ 1 137.0709 -0.64
+  137.1069 C8H13N2+ 1 137.1073 -2.93
+  138.0663 C6H8N3O+ 1 138.0662 0.58
+  139.0863 C7H11N2O+ 1 139.0866 -2.33
+  140.082 C6H10N3O+ 1 140.0818 1.16
+  141.0657 C6H9N2O2+ 1 141.0659 -1.21
+  141.1017 C7H13N2O+ 1 141.1022 -4.08
+  146.0964 C10H12N+ 1 146.0964 -0.47
+  149.0708 C8H9N2O+ 1 149.0709 -0.75
+  150.1025 C8H12N3+ 1 150.1026 -0.25
+  152.0824 C7H10N3O+ 1 152.0818 3.42
+  153.0659 C7H9N2O2+ 1 153.0659 0.3
+  153.1023 C8H13N2O+ 1 153.1022 0.25
+  157.1085 C6H13N4O+ 1 157.1084 0.86
+  158.0963 C11H12N+ 1 158.0964 -0.76
+  160.0756 C10H10NO+ 1 160.0757 -0.72
+  162.0889 C7H14O4+ 1 162.0887 1.78
+  165.1022 C9H13N2O+ 1 165.1022 -0.04
+  168.0808 C12H10N+ 1 168.0808 0.14
+  170.0963 C12H12N+ 1 170.0964 -0.89
+  178.097 C9H12N3O+ 2 178.0975 -2.55
+  179.1293 C9H15N4+ 1 179.1291 1.12
+  180.0774 C10H12O3+ 2 180.0781 -3.95
+  181.0963 C9H13N2O2+ 2 181.0972 -4.76
+  182.0929 C8H12N3O2+ 2 182.0924 2.51
+  187.1232 C12H15N2+ 1 187.123 1.24
+  195.1238 C9H15N4O+ 1 195.124 -1.11
+  197.1041 C10H15NO3+ 2 197.1046 -2.62
+  198.0908 C13H12NO+ 2 198.0913 -2.53
+  199.0711 C8H11N2O4+ 1 199.0713 -1.11
+  206.0931 C10H12N3O2+ 2 206.0924 3.49
+  208.1086 C10H14N3O2+ 2 208.1081 2.56
+  214.1077 C10H16NO4+ 2 214.1074 1.43
+  215.1177 C13H15N2O+ 2 215.1179 -0.93
+  216.0981 C8H14N3O4+ 1 216.0979 0.87
+  223.1194 C10H15N4O2+ 2 223.119 2.06
+  292.1344 C6H16N10O4+ 4 292.1351 -2.19
+PK$NUM_PEAK: 54
+PK$PEAK: m/z int. rel.int.
+  105.0339 71034.3 16
+  105.0699 250842 59
+  110.0603 92315.4 21
+  111.0553 184164.5 43
+  111.0917 52568.3 12
+  112.0397 51630.7 12
+  112.0869 819453.1 192
+  113.0709 518078.3 121
+  114.0552 136981.6 32
+  115.0866 440788.5 103
+  118.0655 110978.3 26
+  119.0728 368066 86
+  120.0808 2058079.2 484
+  125.0709 215130.5 50
+  132.0808 121465 28
+  134.0964 4245930 999
+  136.0389 77786.5 18
+  137.0709 48755.2 11
+  137.1069 47254.6 11
+  138.0663 347560.9 81
+  139.0863 57933.4 13
+  140.082 155235 36
+  141.0657 117454.9 27
+  141.1017 124603.9 29
+  146.0964 274229.6 64
+  149.0708 423982.9 99
+  150.1025 142199.4 33
+  152.0824 57064.3 13
+  153.0659 361942.7 85
+  153.1023 152415.3 35
+  157.1085 112736.4 26
+  158.0963 446646.8 105
+  160.0756 118186 27
+  162.0889 170003.2 39
+  165.1022 43203.3 10
+  168.0808 118816 27
+  170.0963 954850.2 224
+  178.097 131178.2 30
+  179.1293 80763.9 19
+  180.0774 62559 14
+  181.0963 212683.3 50
+  182.0929 85377.8 20
+  187.1232 224530.8 52
+  195.1238 110927.6 26
+  197.1041 180025.9 42
+  198.0908 232907.9 54
+  199.0711 244968.2 57
+  206.0931 44483 10
+  208.1086 69140.2 16
+  214.1077 61909.3 14
+  215.1177 292395.8 68
+  216.0981 119659.6 28
+  223.1194 238173.4 56
+  292.1344 283746.4 66
+//
diff --git a/Eawag/MSBNK-EAWAG-ED055108.txt b/Eawag/MSBNK-EAWAG-ED055108.txt
new file mode 100644
index 0000000000..9bfab68a32
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED055108.txt
@@ -0,0 +1,130 @@
+ACCESSION: MSBNK-EAWAG-ED055108
+RECORD_TITLE: Cyanopeptolin CP990; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md21100508
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 551
+CH$NAME: Cyanopeptolin CP990
+CH$NAME: 4-((2,5-dibenzyl-15-(3-guanidinopropyl)-21-hydroxy-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-hexanamido-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C49H70N10O12
+CH$EXACT_MASS: 990.5174677
+CH$SMILES: O=C(NC(C(NC(C(NC(CCCNC(N)=N)C(NC1C(N(C(C(N(C(C(NC2C(C)C)=O)CC3=CC=CC=C3)C)=O)CC4=CC=CC=C4)C(O)CC1)=O)=O)=O)C(OC2=O)C)=O)CC(O)=O)CCCCC
+CH$IUPAC: InChI=1S/C49H70N10O12/c1-6-7-10-21-37(60)53-34(27-39(62)63)43(65)57-41-29(4)71-48(70)40(28(2)3)56-44(66)35(25-30-16-11-8-12-17-30)58(5)47(69)36(26-31-18-13-9-14-19-31)59-38(61)23-22-33(46(59)68)55-42(64)32(54-45(41)67)20-15-24-52-49(50)51/h8-9,11-14,16-19,28-29,32-36,38,40-41,61H,6-7,10,15,20-27H2,1-5H3,(H,53,60)(H,54,67)(H,55,64)(H,56,66)(H,57,65)(H,62,63)(H4,50,51,52)
+CH$LINK: PUBCHEM CID:146682046
+CH$LINK: INCHIKEY HFRWIDDUABJXBW-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 103-1032
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.639 min
+MS$FOCUSED_ION: BASE_PEAK 991.5246
+MS$FOCUSED_ION: PRECURSOR_M/Z 991.5247
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0089-0900000000-3ef86f574277af5dd8bf
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  105.0337 C7H5O+ 1 105.0335 2.4
+  105.0699 C8H9+ 1 105.0699 0.21
+  110.0602 C6H8NO+ 1 110.06 1.38
+  110.0712 C5H8N3+ 1 110.0713 -0.38
+  111.0554 C5H7N2O+ 1 111.0553 0.78
+  111.0915 C6H11N2+ 1 111.0917 -1.63
+  112.0396 C5H6NO2+ 1 112.0393 2.2
+  112.087 C5H10N3+ 1 112.0869 0.4
+  113.0709 C5H9N2O+ 1 113.0709 -0.48
+  114.0552 C5H8NO2+ 1 114.055 2.52
+  114.1026 C5H12N3+ 1 114.1026 0.34
+  115.0545 C9H7+ 1 115.0542 2.32
+  115.0867 C5H11N2O+ 1 115.0866 0.54
+  118.0651 C8H8N+ 1 118.0651 0.06
+  119.0729 C8H9N+ 1 119.073 -0.39
+  120.0808 C8H10N+ 1 120.0808 0.32
+  125.071 C6H9N2O+ 1 125.0709 0.49
+  130.065 C9H8N+ 1 130.0651 -0.81
+  134.0964 C9H12N+ 1 134.0964 -0.3
+  136.0394 C7H6NO2+ 1 136.0393 0.77
+  136.0871 C7H10N3+ 1 136.0869 1.47
+  138.0543 C7H8NO2+ 1 138.055 -4.6
+  138.0662 C6H8N3O+ 1 138.0662 -0.2
+  138.0912 C8H12NO+ 1 138.0913 -0.79
+  140.0818 C6H10N3O+ 1 140.0818 -0.03
+  141.1019 C7H13N2O+ 1 141.1022 -2.57
+  144.0807 C10H10N+ 1 144.0808 -0.71
+  146.0966 C10H12N+ 1 146.0964 1.1
+  149.0709 C8H9N2O+ 1 149.0709 -0.55
+  150.1027 C8H12N3+ 1 150.1026 0.97
+  153.0664 C7H9N2O2+ 1 153.0659 3.59
+  153.1022 C8H13N2O+ 1 153.1022 -0.45
+  158.0963 C11H12N+ 1 158.0964 -0.57
+  166.0976 C8H12N3O+ 1 166.0975 0.84
+  168.0811 C12H10N+ 1 168.0808 1.69
+  170.0963 C12H12N+ 1 170.0964 -0.71
+  171.0768 C7H11N2O3+ 1 171.0764 2.09
+  180.0775 C10H12O3+ 2 180.0781 -3.19
+  180.1129 C9H14N3O+ 1 180.1131 -1.12
+  181.0969 C9H13N2O2+ 1 181.0972 -1.22
+  182.093 C8H12N3O2+ 2 182.0924 3.02
+  198.0909 C13H12NO+ 2 198.0913 -2.06
+  199.0714 C8H11N2O4+ 1 199.0713 0.2
+  223.1198 C10H15N4O2+ 2 223.119 3.98
+PK$NUM_PEAK: 44
+PK$PEAK: m/z int. rel.int.
+  105.0337 122163.2 32
+  105.0699 384710.6 103
+  110.0602 121998.3 32
+  110.0712 51004.2 13
+  111.0554 265430.7 71
+  111.0915 44313.6 11
+  112.0396 60358.1 16
+  112.087 673648.5 181
+  113.0709 304384.4 82
+  114.0552 115842.8 31
+  114.1026 63654.1 17
+  115.0545 64039.4 17
+  115.0867 311361.6 83
+  118.0651 235599.2 63
+  119.0729 613922.1 165
+  120.0808 1743581.2 469
+  125.071 274347.2 73
+  130.065 55386.8 14
+  134.0964 3706153.2 999
+  136.0394 126397.5 34
+  136.0871 38734.4 10
+  138.0543 48039.2 12
+  138.0662 271686.3 73
+  138.0912 67050 18
+  140.0818 108293.8 29
+  141.1019 111794 30
+  144.0807 75326.3 20
+  146.0966 238270.8 64
+  149.0709 502609.8 135
+  150.1027 198203.9 53
+  153.0664 277877.1 74
+  153.1022 146256.6 39
+  158.0963 306279 82
+  166.0976 52364.8 14
+  168.0811 212493.2 57
+  170.0963 827359.8 223
+  171.0768 61216.7 16
+  180.0775 59034.1 15
+  180.1129 57851.7 15
+  181.0969 131212.2 35
+  182.093 58800.8 15
+  198.0909 169726.9 45
+  199.0714 64161.3 17
+  223.1198 76179.7 20
+//
diff --git a/Eawag/MSBNK-EAWAG-ED055109.txt b/Eawag/MSBNK-EAWAG-ED055109.txt
new file mode 100644
index 0000000000..271ec798ae
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED055109.txt
@@ -0,0 +1,116 @@
+ACCESSION: MSBNK-EAWAG-ED055109
+RECORD_TITLE: Cyanopeptolin CP990; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md21100508
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 551
+CH$NAME: Cyanopeptolin CP990
+CH$NAME: 4-((2,5-dibenzyl-15-(3-guanidinopropyl)-21-hydroxy-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-hexanamido-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C49H70N10O12
+CH$EXACT_MASS: 990.5174677
+CH$SMILES: O=C(NC(C(NC(C(NC(CCCNC(N)=N)C(NC1C(N(C(C(N(C(C(NC2C(C)C)=O)CC3=CC=CC=C3)C)=O)CC4=CC=CC=C4)C(O)CC1)=O)=O)=O)C(OC2=O)C)=O)CC(O)=O)CCCCC
+CH$IUPAC: InChI=1S/C49H70N10O12/c1-6-7-10-21-37(60)53-34(27-39(62)63)43(65)57-41-29(4)71-48(70)40(28(2)3)56-44(66)35(25-30-16-11-8-12-17-30)58(5)47(69)36(26-31-18-13-9-14-19-31)59-38(61)23-22-33(46(59)68)55-42(64)32(54-45(41)67)20-15-24-52-49(50)51/h8-9,11-14,16-19,28-29,32-36,38,40-41,61H,6-7,10,15,20-27H2,1-5H3,(H,53,60)(H,54,67)(H,55,64)(H,56,66)(H,57,65)(H,62,63)(H4,50,51,52)
+CH$LINK: PUBCHEM CID:146682046
+CH$LINK: INCHIKEY HFRWIDDUABJXBW-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 103-1032
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.639 min
+MS$FOCUSED_ION: BASE_PEAK 991.5246
+MS$FOCUSED_ION: PRECURSOR_M/Z 991.5247
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0089-0900000000-2c9333c7966643559072
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  105.0336 C7H5O+ 1 105.0335 1.23
+  105.0699 C8H9+ 1 105.0699 -0.01
+  110.0602 C6H8NO+ 1 110.06 1.24
+  111.0551 C5H7N2O+ 1 111.0553 -1.28
+  111.092 C6H11N2+ 1 111.0917 3.11
+  112.0391 C5H6NO2+ 1 112.0393 -1.68
+  112.087 C5H10N3+ 1 112.0869 0.4
+  113.0709 C5H9N2O+ 1 113.0709 -0.75
+  114.0549 C5H8NO2+ 1 114.055 -0.16
+  115.0542 C9H7+ 1 115.0542 -0.4
+  115.0868 C5H11N2O+ 1 115.0866 1.4
+  117.0574 C8H7N+ 1 117.0573 1.2
+  118.0652 C8H8N+ 1 118.0651 0.57
+  119.073 C8H9N+ 1 119.073 0.45
+  120.0808 C8H10N+ 1 120.0808 0.13
+  125.0709 C6H9N2O+ 1 125.0709 -0.49
+  127.0979 C5H11N4+ 1 127.0978 0.49
+  130.0651 C9H8N+ 1 130.0651 -0.1
+  131.0492 C9H7O+ 1 131.0491 0.47
+  132.0807 C9H10N+ 1 132.0808 -0.68
+  134.0964 C9H12N+ 1 134.0964 -0.19
+  136.0393 C7H6NO2+ 1 136.0393 -0.12
+  137.0706 C7H9N2O+ 1 137.0709 -2.2
+  138.0663 C6H8N3O+ 1 138.0662 0.46
+  138.0912 C8H12NO+ 1 138.0913 -1.01
+  139.0503 C6H7N2O2+ 1 139.0502 1.02
+  140.082 C6H10N3O+ 1 140.0818 1.38
+  141.1024 C7H13N2O+ 1 141.1022 1.33
+  146.0965 C10H12N+ 1 146.0964 0.47
+  149.0708 C8H9N2O+ 1 149.0709 -0.65
+  150.1026 C8H12N3+ 1 150.1026 0.25
+  152.0819 C7H10N3O+ 1 152.0818 0.71
+  158.096 C11H12N+ 1 158.0964 -2.79
+  160.0754 C10H10NO+ 1 160.0757 -1.57
+  168.081 C12H10N+ 1 168.0808 1.32
+  170.0964 C12H12N+ 1 170.0964 -0.26
+  180.0783 C10H12O3+ 1 180.0781 1.3
+PK$NUM_PEAK: 37
+PK$PEAK: m/z int. rel.int.
+  105.0336 105242.4 34
+  105.0699 513838.7 166
+  110.0602 165491.6 53
+  111.0551 273959.7 88
+  111.092 39230.2 12
+  112.0391 69683.8 22
+  112.087 505177 163
+  113.0709 182946.2 59
+  114.0549 128221.5 41
+  115.0542 109301.5 35
+  115.0868 232117 75
+  117.0574 67741.7 21
+  118.0652 349703.1 113
+  119.073 916862.9 297
+  120.0808 1488519.5 483
+  125.0709 299417.5 97
+  127.0979 48011.5 15
+  130.0651 65711.9 21
+  131.0492 44635.1 14
+  132.0807 89174.8 28
+  134.0964 3077289.8 999
+  136.0393 105267.7 34
+  137.0706 79008.4 25
+  138.0663 218156.7 70
+  138.0912 85777.6 27
+  139.0503 63497.9 20
+  140.082 64361.9 20
+  141.1024 61642.5 20
+  146.0965 149761.9 48
+  149.0708 430260.5 139
+  150.1026 198595.6 64
+  152.0819 37309.2 12
+  158.096 141793.6 46
+  160.0754 78174.2 25
+  168.081 259510.9 84
+  170.0964 669285.7 217
+  180.0783 57064.4 18
+//
diff --git a/Eawag/MSBNK-EAWAG-ED055151.txt b/Eawag/MSBNK-EAWAG-ED055151.txt
new file mode 100644
index 0000000000..227ee67780
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED055151.txt
@@ -0,0 +1,50 @@
+ACCESSION: MSBNK-EAWAG-ED055151
+RECORD_TITLE: Cyanopeptolin CP990; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md21100508
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 551
+CH$NAME: Cyanopeptolin CP990
+CH$NAME: 4-((2,5-dibenzyl-15-(3-guanidinopropyl)-21-hydroxy-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-hexanamido-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C49H70N10O12
+CH$EXACT_MASS: 990.5174677
+CH$SMILES: O=C(NC(C(NC(C(NC(CCCNC(N)=N)C(NC1C(N(C(C(N(C(C(NC2C(C)C)=O)CC3=CC=CC=C3)C)=O)CC4=CC=CC=C4)C(O)CC1)=O)=O)=O)C(OC2=O)C)=O)CC(O)=O)CCCCC
+CH$IUPAC: InChI=1S/C49H70N10O12/c1-6-7-10-21-37(60)53-34(27-39(62)63)43(65)57-41-29(4)71-48(70)40(28(2)3)56-44(66)35(25-30-16-11-8-12-17-30)58(5)47(69)36(26-31-18-13-9-14-19-31)59-38(61)23-22-33(46(59)68)55-42(64)32(54-45(41)67)20-15-24-52-49(50)51/h8-9,11-14,16-19,28-29,32-36,38,40-41,61H,6-7,10,15,20-27H2,1-5H3,(H,53,60)(H,54,67)(H,55,64)(H,56,66)(H,57,65)(H,62,63)(H4,50,51,52)
+CH$LINK: PUBCHEM CID:146682046
+CH$LINK: INCHIKEY HFRWIDDUABJXBW-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 102-1030
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.653 min
+MS$FOCUSED_ION: BASE_PEAK 187.1332
+MS$FOCUSED_ION: PRECURSOR_M/Z 989.5102
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-000i-0000000009-0aaedd6f519b7536c4b7
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  698.3623 C47H46N4O2- 11 698.3626 -0.43
+  856.3985 C43H54N9O10- 4 856.3999 -1.7
+  971.4994 C49H67N10O11- 1 971.4996 -0.25
+  989.5107 C49H69N10O12- 1 989.5102 0.56
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  698.3623 176450.5 12
+  856.3985 328686.1 23
+  971.4994 1098138.6 77
+  989.5107 14199679 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED055152.txt b/Eawag/MSBNK-EAWAG-ED055152.txt
new file mode 100644
index 0000000000..1883a44e71
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED055152.txt
@@ -0,0 +1,56 @@
+ACCESSION: MSBNK-EAWAG-ED055152
+RECORD_TITLE: Cyanopeptolin CP990; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md21100508
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 551
+CH$NAME: Cyanopeptolin CP990
+CH$NAME: 4-((2,5-dibenzyl-15-(3-guanidinopropyl)-21-hydroxy-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-hexanamido-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C49H70N10O12
+CH$EXACT_MASS: 990.5174677
+CH$SMILES: O=C(NC(C(NC(C(NC(CCCNC(N)=N)C(NC1C(N(C(C(N(C(C(NC2C(C)C)=O)CC3=CC=CC=C3)C)=O)CC4=CC=CC=C4)C(O)CC1)=O)=O)=O)C(OC2=O)C)=O)CC(O)=O)CCCCC
+CH$IUPAC: InChI=1S/C49H70N10O12/c1-6-7-10-21-37(60)53-34(27-39(62)63)43(65)57-41-29(4)71-48(70)40(28(2)3)56-44(66)35(25-30-16-11-8-12-17-30)58(5)47(69)36(26-31-18-13-9-14-19-31)59-38(61)23-22-33(46(59)68)55-42(64)32(54-45(41)67)20-15-24-52-49(50)51/h8-9,11-14,16-19,28-29,32-36,38,40-41,61H,6-7,10,15,20-27H2,1-5H3,(H,53,60)(H,54,67)(H,55,64)(H,56,66)(H,57,65)(H,62,63)(H4,50,51,52)
+CH$LINK: PUBCHEM CID:146682046
+CH$LINK: INCHIKEY HFRWIDDUABJXBW-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 102-1030
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.653 min
+MS$FOCUSED_ION: BASE_PEAK 187.1332
+MS$FOCUSED_ION: PRECURSOR_M/Z 989.5102
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0079-0000000009-ae59bdd3ad8b592f9084
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  565.2517 C26H37N4O10- 8 565.2515 0.37
+  583.2631 C41H33N3O- 9 583.2629 0.33
+  698.3626 C47H46N4O2- 12 698.3626 0.01
+  776.4096 C39H54N9O8- 7 776.4101 -0.62
+  856.3989 C43H54N9O10- 4 856.3999 -1.13
+  971.4993 C49H67N10O11- 1 971.4996 -0.37
+  989.5099 C49H69N10O12- 1 989.5102 -0.3
+PK$NUM_PEAK: 7
+PK$PEAK: m/z int. rel.int.
+  565.2517 272289.6 38
+  583.2631 957129 136
+  698.3626 428362.7 60
+  776.4096 202927.7 28
+  856.3989 1081879.2 153
+  971.4993 4035817.8 573
+  989.5099 7029827.5 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED055153.txt b/Eawag/MSBNK-EAWAG-ED055153.txt
new file mode 100644
index 0000000000..1dbd582b36
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED055153.txt
@@ -0,0 +1,60 @@
+ACCESSION: MSBNK-EAWAG-ED055153
+RECORD_TITLE: Cyanopeptolin CP990; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md21100508
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 551
+CH$NAME: Cyanopeptolin CP990
+CH$NAME: 4-((2,5-dibenzyl-15-(3-guanidinopropyl)-21-hydroxy-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-hexanamido-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C49H70N10O12
+CH$EXACT_MASS: 990.5174677
+CH$SMILES: O=C(NC(C(NC(C(NC(CCCNC(N)=N)C(NC1C(N(C(C(N(C(C(NC2C(C)C)=O)CC3=CC=CC=C3)C)=O)CC4=CC=CC=C4)C(O)CC1)=O)=O)=O)C(OC2=O)C)=O)CC(O)=O)CCCCC
+CH$IUPAC: InChI=1S/C49H70N10O12/c1-6-7-10-21-37(60)53-34(27-39(62)63)43(65)57-41-29(4)71-48(70)40(28(2)3)56-44(66)35(25-30-16-11-8-12-17-30)58(5)47(69)36(26-31-18-13-9-14-19-31)59-38(61)23-22-33(46(59)68)55-42(64)32(54-45(41)67)20-15-24-52-49(50)51/h8-9,11-14,16-19,28-29,32-36,38,40-41,61H,6-7,10,15,20-27H2,1-5H3,(H,53,60)(H,54,67)(H,55,64)(H,56,66)(H,57,65)(H,62,63)(H4,50,51,52)
+CH$LINK: PUBCHEM CID:146682046
+CH$LINK: INCHIKEY HFRWIDDUABJXBW-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 102-1030
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.653 min
+MS$FOCUSED_ION: BASE_PEAK 187.1332
+MS$FOCUSED_ION: PRECURSOR_M/Z 989.5102
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-05fr-0000030059-bf5d097024047b999ebc
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  379.1737 C16H23N6O5- 6 379.1735 0.54
+  565.252 C41H31N3- 8 565.2523 -0.67
+  583.263 C41H33N3O- 9 583.2629 0.22
+  776.4097 C39H54N9O8- 7 776.4101 -0.47
+  814.3784 C42H52N7O10- 6 814.3781 0.3
+  856.3993 C43H54N9O10- 4 856.3999 -0.7
+  857.4023 C49H55N5O9- 2 857.4005 2.07
+  971.4992 C49H67N10O11- 1 971.4996 -0.44
+  989.5098 C49H69N10O12- 1 989.5102 -0.43
+PK$NUM_PEAK: 9
+PK$PEAK: m/z int. rel.int.
+  379.1737 99914 22
+  565.252 505009.7 113
+  583.263 1565317 350
+  776.4097 561363.1 125
+  814.3784 82443.1 18
+  856.3993 3386793.2 758
+  857.4023 234508.8 52
+  971.4992 4459144 999
+  989.5098 1505522.9 337
+//
diff --git a/Eawag/MSBNK-EAWAG-ED055154.txt b/Eawag/MSBNK-EAWAG-ED055154.txt
new file mode 100644
index 0000000000..86ca7412c9
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED055154.txt
@@ -0,0 +1,74 @@
+ACCESSION: MSBNK-EAWAG-ED055154
+RECORD_TITLE: Cyanopeptolin CP990; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md21100508
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 551
+CH$NAME: Cyanopeptolin CP990
+CH$NAME: 4-((2,5-dibenzyl-15-(3-guanidinopropyl)-21-hydroxy-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-hexanamido-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C49H70N10O12
+CH$EXACT_MASS: 990.5174677
+CH$SMILES: O=C(NC(C(NC(C(NC(CCCNC(N)=N)C(NC1C(N(C(C(N(C(C(NC2C(C)C)=O)CC3=CC=CC=C3)C)=O)CC4=CC=CC=C4)C(O)CC1)=O)=O)=O)C(OC2=O)C)=O)CC(O)=O)CCCCC
+CH$IUPAC: InChI=1S/C49H70N10O12/c1-6-7-10-21-37(60)53-34(27-39(62)63)43(65)57-41-29(4)71-48(70)40(28(2)3)56-44(66)35(25-30-16-11-8-12-17-30)58(5)47(69)36(26-31-18-13-9-14-19-31)59-38(61)23-22-33(46(59)68)55-42(64)32(54-45(41)67)20-15-24-52-49(50)51/h8-9,11-14,16-19,28-29,32-36,38,40-41,61H,6-7,10,15,20-27H2,1-5H3,(H,53,60)(H,54,67)(H,55,64)(H,56,66)(H,57,65)(H,62,63)(H4,50,51,52)
+CH$LINK: PUBCHEM CID:146682046
+CH$LINK: INCHIKEY HFRWIDDUABJXBW-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 102-1030
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.653 min
+MS$FOCUSED_ION: BASE_PEAK 187.1332
+MS$FOCUSED_ION: PRECURSOR_M/Z 989.5102
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0a4i-0000030191-d6a0a264b36b73bf8ab2
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  179.0451 C6H5N5O2- 1 179.0449 1.4
+  221.0672 C8H13O7- 3 221.0667 2.47
+  238.0934 C9H12N5O3- 3 238.0946 -4.86
+  251.1141 C11H15N4O3- 3 251.115 -3.51
+  277.1546 C13H19N5O2- 2 277.1544 0.73
+  379.173 C16H23N6O5- 5 379.1735 -1.31
+  519.2609 C28H39O9- 9 519.26 1.83
+  541.2416 C40H31NO- 10 541.2411 0.92
+  565.2515 C26H37N4O10- 9 565.2515 -0.06
+  583.2629 C41H33N3O- 9 583.2629 -0.09
+  776.4103 C39H54N9O8- 9 776.4101 0.32
+  814.3778 C42H52N7O10- 6 814.3781 -0.45
+  839.3737 C43H51N8O10- 5 839.3734 0.44
+  856.3994 C43H54N9O10- 4 856.3999 -0.63
+  857.4021 C49H55N5O9- 3 857.4005 1.79
+  971.4993 C49H67N10O11- 1 971.4996 -0.37
+PK$NUM_PEAK: 16
+PK$PEAK: m/z int. rel.int.
+  179.0451 103069 30
+  221.0672 51213.7 15
+  238.0934 42140.2 12
+  251.1141 129326 38
+  277.1546 68651.4 20
+  379.173 165163.9 49
+  519.2609 185620.5 55
+  541.2416 152448 45
+  565.2515 255081.9 76
+  583.2629 861105.1 257
+  776.4103 486909.5 145
+  814.3778 258289.8 77
+  839.3737 385138.1 115
+  856.3994 3334478 999
+  857.4021 233738.1 70
+  971.4993 888764.8 266
+//
diff --git a/Eawag/MSBNK-EAWAG-ED055155.txt b/Eawag/MSBNK-EAWAG-ED055155.txt
new file mode 100644
index 0000000000..ba1986aa2f
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED055155.txt
@@ -0,0 +1,110 @@
+ACCESSION: MSBNK-EAWAG-ED055155
+RECORD_TITLE: Cyanopeptolin CP990; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md21100508
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 551
+CH$NAME: Cyanopeptolin CP990
+CH$NAME: 4-((2,5-dibenzyl-15-(3-guanidinopropyl)-21-hydroxy-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-hexanamido-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C49H70N10O12
+CH$EXACT_MASS: 990.5174677
+CH$SMILES: O=C(NC(C(NC(C(NC(CCCNC(N)=N)C(NC1C(N(C(C(N(C(C(NC2C(C)C)=O)CC3=CC=CC=C3)C)=O)CC4=CC=CC=C4)C(O)CC1)=O)=O)=O)C(OC2=O)C)=O)CC(O)=O)CCCCC
+CH$IUPAC: InChI=1S/C49H70N10O12/c1-6-7-10-21-37(60)53-34(27-39(62)63)43(65)57-41-29(4)71-48(70)40(28(2)3)56-44(66)35(25-30-16-11-8-12-17-30)58(5)47(69)36(26-31-18-13-9-14-19-31)59-38(61)23-22-33(46(59)68)55-42(64)32(54-45(41)67)20-15-24-52-49(50)51/h8-9,11-14,16-19,28-29,32-36,38,40-41,61H,6-7,10,15,20-27H2,1-5H3,(H,53,60)(H,54,67)(H,55,64)(H,56,66)(H,57,65)(H,62,63)(H4,50,51,52)
+CH$LINK: PUBCHEM CID:146682046
+CH$LINK: INCHIKEY HFRWIDDUABJXBW-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 102-1030
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.653 min
+MS$FOCUSED_ION: BASE_PEAK 187.1332
+MS$FOCUSED_ION: PRECURSOR_M/Z 989.5102
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-05r0-0941000000-a04db6445abd6a4141d9
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  110.0247 C5H4NO2- 1 110.0248 -0.83
+  113.0358 C4H5N2O2- 1 113.0357 1.53
+  114.0924 C6H12NO- 1 114.0924 -0.08
+  116.0717 C5H10NO2- 1 116.0717 -0.13
+  123.0452 C7H7O2- 1 123.0452 0.57
+  124.0402 C6H6NO2- 1 124.0404 -1.4
+  124.0516 C5H6N3O- 1 124.0516 -0.19
+  127.0513 C5H7N2O2- 1 127.0513 -0.13
+  135.0562 C7H7N2O- 1 135.0564 -1.72
+  136.0406 C7H6NO2- 1 136.0404 1.53
+  140.0349 C6H6NO3- 1 140.0353 -2.67
+  146.0607 C9H8NO- 1 146.0611 -2.87
+  153.0304 C6H5N2O3- 1 153.0306 -1.17
+  153.0668 C7H9N2O2- 1 153.067 -0.73
+  156.0777 C6H10N3O2- 1 156.0779 -1.09
+  160.0763 C10H10NO- 1 160.0768 -3.2
+  165.1029 C9H13N2O- 1 165.1033 -2.78
+  170.0931 C7H12N3O2- 1 170.0935 -2.15
+  178.0618 C8H8N3O2- 1 178.0622 -2.01
+  179.0455 C6H5N5O2- 2 179.0449 3.27
+  195.0877 C7H15O6- 2 195.0874 1.68
+  202.1225 C11H14N4- 1 202.1224 0.46
+  203.0816 C9H9N5O- 2 203.0813 1.85
+  221.0667 C8H13O7- 2 221.0667 0.12
+  229.1407 C7H21N2O6- 2 229.1405 0.74
+  234.1244 C12H16N3O2- 2 234.1248 -1.74
+  238.0946 C9H12N5O3- 1 238.0946 0.14
+  243.077 C13H11N2O3- 2 243.0775 -2.22
+  251.1142 C11H15N4O3- 3 251.115 -3.08
+  271.1084 C13H13N5O2- 3 271.1075 3.4
+  277.1549 C13H19N5O2- 2 277.1544 1.61
+  307.1444 C4H25N3O12- 6 307.1444 0.19
+  519.2615 C28H39O9- 8 519.26 2.88
+  839.3704 C43H51N8O10- 2 839.3734 -3.49
+PK$NUM_PEAK: 34
+PK$PEAK: m/z int. rel.int.
+  110.0247 63100.8 217
+  113.0358 24743.2 85
+  114.0924 35936.9 123
+  116.0717 211807.1 729
+  123.0452 32317.8 111
+  124.0402 39925 137
+  124.0516 63537.5 218
+  127.0513 32962.7 113
+  135.0562 210536.2 725
+  136.0406 47639.1 164
+  140.0349 67428.1 232
+  146.0607 70646.7 243
+  153.0304 26964 92
+  153.0668 32438.3 111
+  156.0777 25199.4 86
+  160.0763 195981.7 674
+  165.1029 53700.7 184
+  170.0931 32512 111
+  178.0618 28627 98
+  179.0455 149941.8 516
+  195.0877 107903.6 371
+  202.1225 95797.8 329
+  203.0816 81726.8 281
+  221.0667 43251.3 148
+  229.1407 46922.5 161
+  234.1244 35856.6 123
+  238.0946 33371 114
+  243.077 13147 45
+  251.1142 94319.9 324
+  271.1084 31860.6 109
+  277.1549 290092.8 999
+  307.1444 225443.1 776
+  519.2615 138710 477
+  839.3704 74145.2 255
+//
diff --git a/Eawag/MSBNK-EAWAG-ED055156.txt b/Eawag/MSBNK-EAWAG-ED055156.txt
new file mode 100644
index 0000000000..50bbdb620e
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED055156.txt
@@ -0,0 +1,122 @@
+ACCESSION: MSBNK-EAWAG-ED055156
+RECORD_TITLE: Cyanopeptolin CP990; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md21100508
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 551
+CH$NAME: Cyanopeptolin CP990
+CH$NAME: 4-((2,5-dibenzyl-15-(3-guanidinopropyl)-21-hydroxy-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-hexanamido-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C49H70N10O12
+CH$EXACT_MASS: 990.5174677
+CH$SMILES: O=C(NC(C(NC(C(NC(CCCNC(N)=N)C(NC1C(N(C(C(N(C(C(NC2C(C)C)=O)CC3=CC=CC=C3)C)=O)CC4=CC=CC=C4)C(O)CC1)=O)=O)=O)C(OC2=O)C)=O)CC(O)=O)CCCCC
+CH$IUPAC: InChI=1S/C49H70N10O12/c1-6-7-10-21-37(60)53-34(27-39(62)63)43(65)57-41-29(4)71-48(70)40(28(2)3)56-44(66)35(25-30-16-11-8-12-17-30)58(5)47(69)36(26-31-18-13-9-14-19-31)59-38(61)23-22-33(46(59)68)55-42(64)32(54-45(41)67)20-15-24-52-49(50)51/h8-9,11-14,16-19,28-29,32-36,38,40-41,61H,6-7,10,15,20-27H2,1-5H3,(H,53,60)(H,54,67)(H,55,64)(H,56,66)(H,57,65)(H,62,63)(H4,50,51,52)
+CH$LINK: PUBCHEM CID:146682046
+CH$LINK: INCHIKEY HFRWIDDUABJXBW-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 102-1030
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.653 min
+MS$FOCUSED_ION: BASE_PEAK 187.1332
+MS$FOCUSED_ION: PRECURSOR_M/Z 989.5102
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0409-0920000000-9aa94b6aa44c92068369
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  109.0408 C5H5N2O- 1 109.0407 0.81
+  110.0248 C5H4NO2- 1 110.0248 0.35
+  111.0564 C5H7N2O- 1 111.0564 -0.07
+  112.0281 C4H4N2O2- 1 112.0278 2.1
+  113.0357 C4H5N2O2- 1 113.0357 0.04
+  114.0922 C6H12NO- 1 114.0924 -2.29
+  116.0716 C5H10NO2- 1 116.0717 -0.53
+  122.061 C7H8NO- 1 122.0611 -1.2
+  123.045 C7H7O2- 1 123.0452 -1.54
+  123.0562 C6H7N2O- 1 123.0564 -1.38
+  124.0404 C6H6NO2- 1 124.0404 0.14
+  124.0519 C5H6N3O- 1 124.0516 2.21
+  125.0355 C5H5N2O2- 1 125.0357 -0.9
+  127.0513 C5H7N2O2- 1 127.0513 -0.13
+  131.0504 C9H7O- 1 131.0502 1.6
+  135.0563 C7H7N2O- 1 135.0564 -0.7
+  136.0402 C7H6NO2- 1 136.0404 -1.5
+  138.0557 C7H8NO2- 1 138.0561 -2.84
+  141.1028 C7H13N2O- 1 141.1033 -3.59
+  146.0608 C9H8NO- 1 146.0611 -2.24
+  153.0667 C7H9N2O2- 1 153.067 -1.83
+  156.0774 C6H10N3O2- 1 156.0779 -2.65
+  160.0761 C10H10NO- 2 160.0768 -4.05
+  165.1029 C9H13N2O- 1 165.1033 -2.51
+  168.0774 C7H10N3O2- 1 168.0779 -2.54
+  179.0452 C6H5N5O2- 1 179.0449 1.65
+  186.0549 C9H6N4O- 1 186.0547 1.2
+  187.1191 C6H19O6- 3 187.1187 2.33
+  194.104 C7H16NO5- 3 194.1034 3.09
+  196.1091 C9H14N3O2- 1 196.1092 -0.2
+  202.1226 C11H14N4- 1 202.1224 1.21
+  203.0819 C9H9N5O- 2 203.0813 3.28
+  212.1146 C8H14N5O2- 3 212.1153 -3.11
+  215.0819 C10H9N5O- 2 215.0813 2.92
+  216.0893 C10H10N5O- 1 216.0891 1
+  229.1408 C7H21N2O6- 3 229.1405 1.47
+  234.1242 C12H16N3O2- 2 234.1248 -2.53
+  251.1151 C11H15N4O3- 2 251.115 0.38
+  277.1547 C13H19N5O2- 2 277.1544 0.95
+  307.1447 C4H25N3O12- 5 307.1444 0.98
+PK$NUM_PEAK: 40
+PK$PEAK: m/z int. rel.int.
+  109.0408 12354.5 31
+  110.0248 111014 284
+  111.0564 45026.8 115
+  112.0281 23955.3 61
+  113.0357 45619.4 116
+  114.0922 70221.7 179
+  116.0716 390087.1 999
+  122.061 27476.1 70
+  123.045 20720 53
+  123.0562 26556.7 68
+  124.0404 52190.5 133
+  124.0519 46122 118
+  125.0355 181631.8 465
+  127.0513 37142.4 95
+  131.0504 36687.6 93
+  135.0563 250112.8 640
+  136.0402 58411.2 149
+  138.0557 16919.4 43
+  141.1028 72156.2 184
+  146.0608 106230.5 272
+  153.0667 39889 102
+  156.0774 61322.4 157
+  160.0761 364566.7 933
+  165.1029 31866.6 81
+  168.0774 28804.6 73
+  179.0452 44273.6 113
+  186.0549 21914.7 56
+  187.1191 164132.7 420
+  194.104 31655.9 81
+  196.1091 31632.3 81
+  202.1226 148074.8 379
+  203.0819 87404.8 223
+  212.1146 43795.2 112
+  215.0819 29512.6 75
+  216.0893 35926.3 92
+  229.1408 73834.2 189
+  234.1242 38051.8 97
+  251.1151 25381.3 65
+  277.1547 137476.5 352
+  307.1447 82636.5 211
+//
diff --git a/Eawag/MSBNK-EAWAG-ED055157.txt b/Eawag/MSBNK-EAWAG-ED055157.txt
new file mode 100644
index 0000000000..9c139429f6
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED055157.txt
@@ -0,0 +1,96 @@
+ACCESSION: MSBNK-EAWAG-ED055157
+RECORD_TITLE: Cyanopeptolin CP990; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md21100508
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 551
+CH$NAME: Cyanopeptolin CP990
+CH$NAME: 4-((2,5-dibenzyl-15-(3-guanidinopropyl)-21-hydroxy-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-hexanamido-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C49H70N10O12
+CH$EXACT_MASS: 990.5174677
+CH$SMILES: O=C(NC(C(NC(C(NC(CCCNC(N)=N)C(NC1C(N(C(C(N(C(C(NC2C(C)C)=O)CC3=CC=CC=C3)C)=O)CC4=CC=CC=C4)C(O)CC1)=O)=O)=O)C(OC2=O)C)=O)CC(O)=O)CCCCC
+CH$IUPAC: InChI=1S/C49H70N10O12/c1-6-7-10-21-37(60)53-34(27-39(62)63)43(65)57-41-29(4)71-48(70)40(28(2)3)56-44(66)35(25-30-16-11-8-12-17-30)58(5)47(69)36(26-31-18-13-9-14-19-31)59-38(61)23-22-33(46(59)68)55-42(64)32(54-45(41)67)20-15-24-52-49(50)51/h8-9,11-14,16-19,28-29,32-36,38,40-41,61H,6-7,10,15,20-27H2,1-5H3,(H,53,60)(H,54,67)(H,55,64)(H,56,66)(H,57,65)(H,62,63)(H4,50,51,52)
+CH$LINK: PUBCHEM CID:146682046
+CH$LINK: INCHIKEY HFRWIDDUABJXBW-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 102-1030
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.653 min
+MS$FOCUSED_ION: BASE_PEAK 187.1332
+MS$FOCUSED_ION: PRECURSOR_M/Z 989.5102
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-03y0-0900000000-815682d22d506aebeaba
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  108.0454 C6H6NO- 1 108.0455 -0.97
+  110.0247 C5H4NO2- 1 110.0248 -0.14
+  111.02 C4H3N2O2- 1 111.02 0.01
+  111.0566 C5H7N2O- 1 111.0564 1.72
+  112.0278 C4H4N2O2- 1 112.0278 -0.21
+  113.0355 C4H5N2O2- 1 113.0357 -1.17
+  113.0721 C5H9N2O- 1 113.072 0.57
+  114.0925 C6H12NO- 1 114.0924 0.78
+  116.0716 C5H10NO2- 1 116.0717 -0.66
+  123.0564 C6H7N2O- 1 123.0564 0.23
+  124.0404 C6H6NO2- 1 124.0404 -0.23
+  125.0354 C5H5N2O2- 1 125.0357 -1.94
+  130.0987 C5H12N3O- 1 130.0986 0.53
+  131.0499 C9H7O- 1 131.0502 -2.71
+  135.0562 C7H7N2O- 1 135.0564 -1.15
+  141.103 C7H13N2O- 1 141.1033 -2.61
+  146.0611 C9H8NO- 1 146.0611 -0.05
+  152.0826 C7H10N3O- 1 152.0829 -2.32
+  153.0669 C7H9N2O2- 1 153.067 -0.14
+  156.0771 C6H10N3O2- 2 156.0779 -4.61
+  160.0762 C10H10NO- 2 160.0768 -3.67
+  169.1093 C7H13N4O- 1 169.1095 -0.98
+  170.0929 C7H12N3O2- 2 170.0935 -3.5
+  187.119 C6H19O6- 2 187.1187 1.76
+  196.1084 C7H12N6O- 2 196.1078 3.22
+  202.1229 C11H14N4- 2 202.1224 2.35
+  203.0822 C11H11N2O2- 2 203.0826 -1.75
+PK$NUM_PEAK: 27
+PK$PEAK: m/z int. rel.int.
+  108.0454 21079.9 71
+  110.0247 122552.1 415
+  111.02 36299 122
+  111.0566 34681.7 117
+  112.0278 48568 164
+  113.0355 28574 96
+  113.0721 21103.2 71
+  114.0925 73909.8 250
+  116.0716 294851.1 999
+  123.0564 32668.6 110
+  124.0404 28461.3 96
+  125.0354 215201.2 729
+  130.0987 31260.5 105
+  131.0499 37933.8 128
+  135.0562 156807.7 531
+  141.103 64695.2 219
+  146.0611 72609.2 246
+  152.0826 35348.2 119
+  153.0669 28159.9 95
+  156.0771 60369.4 204
+  160.0762 255882.3 866
+  169.1093 32978.4 111
+  170.0929 102917.4 348
+  187.119 246339.5 834
+  196.1084 33669.5 114
+  202.1229 62109.8 210
+  203.0822 36581.8 123
+//
diff --git a/Eawag/MSBNK-EAWAG-ED055158.txt b/Eawag/MSBNK-EAWAG-ED055158.txt
new file mode 100644
index 0000000000..9639da16bf
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED055158.txt
@@ -0,0 +1,86 @@
+ACCESSION: MSBNK-EAWAG-ED055158
+RECORD_TITLE: Cyanopeptolin CP990; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md21100508
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 551
+CH$NAME: Cyanopeptolin CP990
+CH$NAME: 4-((2,5-dibenzyl-15-(3-guanidinopropyl)-21-hydroxy-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-hexanamido-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C49H70N10O12
+CH$EXACT_MASS: 990.5174677
+CH$SMILES: O=C(NC(C(NC(C(NC(CCCNC(N)=N)C(NC1C(N(C(C(N(C(C(NC2C(C)C)=O)CC3=CC=CC=C3)C)=O)CC4=CC=CC=C4)C(O)CC1)=O)=O)=O)C(OC2=O)C)=O)CC(O)=O)CCCCC
+CH$IUPAC: InChI=1S/C49H70N10O12/c1-6-7-10-21-37(60)53-34(27-39(62)63)43(65)57-41-29(4)71-48(70)40(28(2)3)56-44(66)35(25-30-16-11-8-12-17-30)58(5)47(69)36(26-31-18-13-9-14-19-31)59-38(61)23-22-33(46(59)68)55-42(64)32(54-45(41)67)20-15-24-52-49(50)51/h8-9,11-14,16-19,28-29,32-36,38,40-41,61H,6-7,10,15,20-27H2,1-5H3,(H,53,60)(H,54,67)(H,55,64)(H,56,66)(H,57,65)(H,62,63)(H4,50,51,52)
+CH$LINK: PUBCHEM CID:146682046
+CH$LINK: INCHIKEY HFRWIDDUABJXBW-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 102-1030
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.653 min
+MS$FOCUSED_ION: BASE_PEAK 187.1332
+MS$FOCUSED_ION: PRECURSOR_M/Z 989.5102
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-02br-0900000000-4e748d357ae69801f26a
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  109.0407 C5H5N2O- 1 109.0407 0.11
+  110.0249 C5H4NO2- 1 110.0248 1.11
+  111.0202 C4H3N2O2- 1 111.02 1.8
+  111.0563 C5H7N2O- 1 111.0564 -0.89
+  112.0276 C4H4N2O2- 1 112.0278 -1.78
+  113.0357 C4H5N2O2- 1 113.0357 0.58
+  113.0718 C5H9N2O- 1 113.072 -2.19
+  114.0926 C6H12NO- 1 114.0924 1.45
+  116.0504 C8H6N- 1 116.0506 -1.61
+  116.0716 C5H10NO2- 1 116.0717 -0.99
+  124.0403 C6H6NO2- 1 124.0404 -0.54
+  125.0356 C5H5N2O2- 1 125.0357 -0.41
+  130.0987 C5H12N3O- 1 130.0986 0.65
+  135.0562 C7H7N2O- 1 135.0564 -1.6
+  136.0399 C7H6NO2- 1 136.0404 -3.85
+  137.0354 C6H5N2O2- 1 137.0357 -2.19
+  152.0826 C7H10N3O- 1 152.0829 -2.22
+  156.0775 C6H10N3O2- 1 156.0779 -2.16
+  160.0762 C10H10NO- 2 160.0768 -3.96
+  169.1088 C7H13N4O- 3 169.1095 -3.96
+  170.0924 C5H10N6O- 1 170.0922 1.61
+  187.1192 C6H19O6- 3 187.1187 2.74
+PK$NUM_PEAK: 22
+PK$PEAK: m/z int. rel.int.
+  109.0407 21068 106
+  110.0249 53400.5 269
+  111.0202 35034.2 176
+  111.0563 18636.3 94
+  112.0276 63990.4 323
+  113.0357 32380.6 163
+  113.0718 16914.1 85
+  114.0926 38710.5 195
+  116.0504 25251.4 127
+  116.0716 197845.2 999
+  124.0403 25840.2 130
+  125.0356 197359.1 996
+  130.0987 38952.2 196
+  135.0562 85767.3 433
+  136.0399 41341.5 208
+  137.0354 24097.9 121
+  152.0826 35839.3 180
+  156.0775 51231.4 258
+  160.0762 132312.9 668
+  169.1088 31814.4 160
+  170.0924 57722.7 291
+  187.1192 166559.3 841
+//
diff --git a/Eawag/MSBNK-EAWAG-ED055551.txt b/Eawag/MSBNK-EAWAG-ED055551.txt
new file mode 100644
index 0000000000..c9e302a4ad
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED055551.txt
@@ -0,0 +1,47 @@
+ACCESSION: MSBNK-EAWAG-ED055551
+RECORD_TITLE: Cyanopeptolin 963A; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.05.01
+AUTHORS: E. Janssen [dtc], V. Rouge [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 555
+CH$NAME: Cyanopeptolin 963A (and isomers)
+CH$NAME: (3S)-4-[[(2S,5S,8S,11S,12S,15S,18S,21R)-5-benzyl-21-hydroxy-15-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-2-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-3-(hexanoylamino)-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C49H69N7O13
+CH$EXACT_MASS: 963.4953353
+CH$SMILES: CCCCCC(N[C@H](C(N[C@H]1[C@H](C)OC([C@H](C(C)C)NC([C@H](CC2=CC=CC=C2)N(C)C([C@H](CC(C)C)N3[C@H](O)CC[C@H](NC([C@H](CC4=CC=C(O)C=C4)NC1=O)=O)C3=O)=O)=O)=O)=O)CC(O)=O)=O
+CH$IUPAC: InChI=1S/C49H69N7O13/c1-8-9-11-16-38(58)50-35(26-40(60)61)44(63)54-42-29(6)69-49(68)41(28(4)5)53-45(64)36(25-30-14-12-10-13-15-30)55(7)48(67)37(23-27(2)3)56-39(59)22-21-33(47(56)66)51-43(62)34(52-46(42)65)24-31-17-19-32(57)20-18-31/h10,12-15,17-20,27-29,33-37,39,41-42,57,59H,8-9,11,16,21-26H2,1-7H3,(H,50,58)(H,51,62)(H,52,65)(H,53,64)(H,54,63)(H,60,61)/t29-,33-,34-,35-,36-,37-,39+,41-,42-/m0/s1
+CH$LINK: PUBCHEM CID:155802219
+CH$LINK: INCHIKEY NGPDQWFWZNXVLZ-FJOPZUAJSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 100-1003
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.419 min
+MS$FOCUSED_ION: BASE_PEAK 293.1752
+MS$FOCUSED_ION: PRECURSOR_M/Z 962.4881
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03di-0000000009-ddfd7f1723898817e9aa
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  829.3784 C43H53N6O11- 5 829.3778 0.72
+  944.4775 C49H66N7O12- 1 944.4775 0.02
+  962.4884 C49H68N7O13- 1 962.4881 0.39
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  829.3784 401318.6 40
+  944.4775 1017474.8 102
+  962.4884 9940700 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED055552.txt b/Eawag/MSBNK-EAWAG-ED055552.txt
new file mode 100644
index 0000000000..4bd1d9e052
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED055552.txt
@@ -0,0 +1,55 @@
+ACCESSION: MSBNK-EAWAG-ED055552
+RECORD_TITLE: Cyanopeptolin 963A; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.05.01
+AUTHORS: E. Janssen [dtc], V. Rouge [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 555
+CH$NAME: Cyanopeptolin 963A (and isomers)
+CH$NAME: (3S)-4-[[(2S,5S,8S,11S,12S,15S,18S,21R)-5-benzyl-21-hydroxy-15-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-2-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-3-(hexanoylamino)-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C49H69N7O13
+CH$EXACT_MASS: 963.4953353
+CH$SMILES: CCCCCC(N[C@H](C(N[C@H]1[C@H](C)OC([C@H](C(C)C)NC([C@H](CC2=CC=CC=C2)N(C)C([C@H](CC(C)C)N3[C@H](O)CC[C@H](NC([C@H](CC4=CC=C(O)C=C4)NC1=O)=O)C3=O)=O)=O)=O)=O)CC(O)=O)=O
+CH$IUPAC: InChI=1S/C49H69N7O13/c1-8-9-11-16-38(58)50-35(26-40(60)61)44(63)54-42-29(6)69-49(68)41(28(4)5)53-45(64)36(25-30-14-12-10-13-15-30)55(7)48(67)37(23-27(2)3)56-39(59)22-21-33(47(56)66)51-43(62)34(52-46(42)65)24-31-17-19-32(57)20-18-31/h10,12-15,17-20,27-29,33-37,39,41-42,57,59H,8-9,11,16,21-26H2,1-7H3,(H,50,58)(H,51,62)(H,52,65)(H,53,64)(H,54,63)(H,60,61)/t29-,33-,34-,35-,36-,37-,39+,41-,42-/m0/s1
+CH$LINK: PUBCHEM CID:155802219
+CH$LINK: INCHIKEY NGPDQWFWZNXVLZ-FJOPZUAJSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 100-1003
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.419 min
+MS$FOCUSED_ION: BASE_PEAK 293.1752
+MS$FOCUSED_ION: PRECURSOR_M/Z 962.4881
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03dl-0000000019-cd66233072de48740ad0
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  556.2406 C41H32O2- 7 556.2408 -0.34
+  600.2688 C28H42NO13- 7 600.2662 4.47
+  741.3613 C40H49N6O8- 6 741.3617 -0.56
+  749.3877 C39H53N6O9- 7 749.388 -0.33
+  829.3775 C43H53N6O11- 4 829.3778 -0.38
+  944.4773 C49H66N7O12- 1 944.4775 -0.17
+  962.4883 C49H68N7O13- 1 962.4881 0.26
+PK$NUM_PEAK: 7
+PK$PEAK: m/z int. rel.int.
+  556.2406 566772.8 139
+  600.2688 101861.4 25
+  741.3613 492312.2 120
+  749.3877 206685.9 50
+  829.3775 791777.1 194
+  944.4773 2925977 719
+  962.4883 4065297 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED055553.txt b/Eawag/MSBNK-EAWAG-ED055553.txt
new file mode 100644
index 0000000000..61f224a94b
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED055553.txt
@@ -0,0 +1,59 @@
+ACCESSION: MSBNK-EAWAG-ED055553
+RECORD_TITLE: Cyanopeptolin 963A; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.05.01
+AUTHORS: E. Janssen [dtc], V. Rouge [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 555
+CH$NAME: Cyanopeptolin 963A (and isomers)
+CH$NAME: (3S)-4-[[(2S,5S,8S,11S,12S,15S,18S,21R)-5-benzyl-21-hydroxy-15-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-2-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-3-(hexanoylamino)-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C49H69N7O13
+CH$EXACT_MASS: 963.4953353
+CH$SMILES: CCCCCC(N[C@H](C(N[C@H]1[C@H](C)OC([C@H](C(C)C)NC([C@H](CC2=CC=CC=C2)N(C)C([C@H](CC(C)C)N3[C@H](O)CC[C@H](NC([C@H](CC4=CC=C(O)C=C4)NC1=O)=O)C3=O)=O)=O)=O)=O)CC(O)=O)=O
+CH$IUPAC: InChI=1S/C49H69N7O13/c1-8-9-11-16-38(58)50-35(26-40(60)61)44(63)54-42-29(6)69-49(68)41(28(4)5)53-45(64)36(25-30-14-12-10-13-15-30)55(7)48(67)37(23-27(2)3)56-39(59)22-21-33(47(56)66)51-43(62)34(52-46(42)65)24-31-17-19-32(57)20-18-31/h10,12-15,17-20,27-29,33-37,39,41-42,57,59H,8-9,11,16,21-26H2,1-7H3,(H,50,58)(H,51,62)(H,52,65)(H,53,64)(H,54,63)(H,60,61)/t29-,33-,34-,35-,36-,37-,39+,41-,42-/m0/s1
+CH$LINK: PUBCHEM CID:155802219
+CH$LINK: INCHIKEY NGPDQWFWZNXVLZ-FJOPZUAJSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 100-1003
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.419 min
+MS$FOCUSED_ION: BASE_PEAK 293.1752
+MS$FOCUSED_ION: PRECURSOR_M/Z 962.4881
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-002f-0000020269-d4498d2be3a44a80a274
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  179.0448 C6H5N5O2- 1 179.0449 -0.33
+  386.1346 C17H18N6O5- 3 386.1344 0.58
+  556.2408 C41H32O2- 7 556.2408 -0.01
+  666.3516 C34H52NO12- 7 666.3495 3.09
+  741.3615 C40H49N6O8- 6 741.3617 -0.31
+  749.3882 C39H53N6O9- 7 749.388 0.33
+  829.378 C43H53N6O11- 5 829.3778 0.21
+  944.4775 C49H66N7O12- 1 944.4775 0.02
+  962.4886 C49H68N7O13- 1 962.4881 0.52
+PK$NUM_PEAK: 9
+PK$PEAK: m/z int. rel.int.
+  179.0448 36413.6 10
+  386.1346 171968.8 50
+  556.2408 972581.6 285
+  666.3516 155483.1 45
+  741.3615 596941.4 175
+  749.3882 501011.3 146
+  829.378 2942611 862
+  944.4775 3406646 999
+  962.4886 909477.8 266
+//
diff --git a/Eawag/MSBNK-EAWAG-ED055554.txt b/Eawag/MSBNK-EAWAG-ED055554.txt
new file mode 100644
index 0000000000..9d5f01f086
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED055554.txt
@@ -0,0 +1,71 @@
+ACCESSION: MSBNK-EAWAG-ED055554
+RECORD_TITLE: Cyanopeptolin 963A; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.05.01
+AUTHORS: E. Janssen [dtc], V. Rouge [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 555
+CH$NAME: Cyanopeptolin 963A (and isomers)
+CH$NAME: (3S)-4-[[(2S,5S,8S,11S,12S,15S,18S,21R)-5-benzyl-21-hydroxy-15-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-2-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-3-(hexanoylamino)-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C49H69N7O13
+CH$EXACT_MASS: 963.4953353
+CH$SMILES: CCCCCC(N[C@H](C(N[C@H]1[C@H](C)OC([C@H](C(C)C)NC([C@H](CC2=CC=CC=C2)N(C)C([C@H](CC(C)C)N3[C@H](O)CC[C@H](NC([C@H](CC4=CC=C(O)C=C4)NC1=O)=O)C3=O)=O)=O)=O)=O)CC(O)=O)=O
+CH$IUPAC: InChI=1S/C49H69N7O13/c1-8-9-11-16-38(58)50-35(26-40(60)61)44(63)54-42-29(6)69-49(68)41(28(4)5)53-45(64)36(25-30-14-12-10-13-15-30)55(7)48(67)37(23-27(2)3)56-39(59)22-21-33(47(56)66)51-43(62)34(52-46(42)65)24-31-17-19-32(57)20-18-31/h10,12-15,17-20,27-29,33-37,39,41-42,57,59H,8-9,11,16,21-26H2,1-7H3,(H,50,58)(H,51,62)(H,52,65)(H,53,64)(H,54,63)(H,60,61)/t29-,33-,34-,35-,36-,37-,39+,41-,42-/m0/s1
+CH$LINK: PUBCHEM CID:155802219
+CH$LINK: INCHIKEY NGPDQWFWZNXVLZ-FJOPZUAJSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 100-1003
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.419 min
+MS$FOCUSED_ION: BASE_PEAK 293.1752
+MS$FOCUSED_ION: PRECURSOR_M/Z 962.4881
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-004i-0000011291-41264ce796450a1e2d97
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  164.0352 C8H6NO3- 1 164.0353 -0.83
+  179.0455 C6H5N5O2- 2 179.0449 3.33
+  258.076 C12H10N4O3- 2 258.0758 0.7
+  277.1554 C15H21N2O3- 4 277.1558 -1.46
+  386.1346 C17H18N6O5- 3 386.1344 0.5
+  485.2766 C26H37N4O5- 6 485.2769 -0.79
+  528.2442 C38H30N3- 7 528.2445 -0.63
+  556.2405 C41H32O2- 7 556.2408 -0.56
+  666.3506 C34H52NO12- 8 666.3495 1.72
+  741.3612 C40H49N6O8- 6 741.3617 -0.73
+  749.3876 C39H53N6O9- 7 749.388 -0.41
+  785.3876 C39H55N5O12- 6 785.3853 2.98
+  829.3779 C43H53N6O11- 5 829.3778 0.14
+  830.3781 C49H54N2O10- 4 830.3784 -0.31
+  944.4771 C49H66N7O12- 1 944.4775 -0.36
+PK$NUM_PEAK: 15
+PK$PEAK: m/z int. rel.int.
+  164.0352 68599.6 19
+  179.0455 148458.9 41
+  258.076 156737.1 44
+  277.1554 100234.4 28
+  386.1346 338058 95
+  485.2766 126395.5 35
+  528.2442 38309.3 10
+  556.2405 487273.6 137
+  666.3506 460336.7 129
+  741.3612 332573.5 93
+  749.3876 453039.8 127
+  785.3876 113290.9 31
+  829.3779 3542708.2 999
+  830.3781 93656.6 26
+  944.4771 636764.4 179
+//
diff --git a/Eawag/MSBNK-EAWAG-ED055555.txt b/Eawag/MSBNK-EAWAG-ED055555.txt
new file mode 100644
index 0000000000..c72c13d495
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED055555.txt
@@ -0,0 +1,93 @@
+ACCESSION: MSBNK-EAWAG-ED055555
+RECORD_TITLE: Cyanopeptolin 963A; LC-ESI-QFT; MS2; CE: 35%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.05.01
+AUTHORS: E. Janssen [dtc], V. Rouge [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 555
+CH$NAME: Cyanopeptolin 963A (and isomers)
+CH$NAME: (3S)-4-[[(2S,5S,8S,11S,12S,15S,18S,21R)-5-benzyl-21-hydroxy-15-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-2-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-3-(hexanoylamino)-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C49H69N7O13
+CH$EXACT_MASS: 963.4953353
+CH$SMILES: CCCCCC(N[C@H](C(N[C@H]1[C@H](C)OC([C@H](C(C)C)NC([C@H](CC2=CC=CC=C2)N(C)C([C@H](CC(C)C)N3[C@H](O)CC[C@H](NC([C@H](CC4=CC=C(O)C=C4)NC1=O)=O)C3=O)=O)=O)=O)=O)CC(O)=O)=O
+CH$IUPAC: InChI=1S/C49H69N7O13/c1-8-9-11-16-38(58)50-35(26-40(60)61)44(63)54-42-29(6)69-49(68)41(28(4)5)53-45(64)36(25-30-14-12-10-13-15-30)55(7)48(67)37(23-27(2)3)56-39(59)22-21-33(47(56)66)51-43(62)34(52-46(42)65)24-31-17-19-32(57)20-18-31/h10,12-15,17-20,27-29,33-37,39,41-42,57,59H,8-9,11,16,21-26H2,1-7H3,(H,50,58)(H,51,62)(H,52,65)(H,53,64)(H,54,63)(H,60,61)/t29-,33-,34-,35-,36-,37-,39+,41-,42-/m0/s1
+CH$LINK: PUBCHEM CID:155802219
+CH$LINK: INCHIKEY NGPDQWFWZNXVLZ-FJOPZUAJSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 35 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 100-1003
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.419 min
+MS$FOCUSED_ION: BASE_PEAK 293.1752
+MS$FOCUSED_ION: PRECURSOR_M/Z 962.4881
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-004i-0461104190-27b7e6cd49020cf3b38d
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  116.0717 C5H10NO2- 1 116.0717 -0.14
+  135.0562 C7H7N2O- 1 135.0564 -1.69
+  142.0509 C6H8NO3- 1 142.051 -0.58
+  162.0553 C9H8NO2- 2 162.0561 -4.49
+  164.0348 C8H6NO3- 1 164.0353 -2.88
+  179.0455 C6H5N5O2- 2 179.0449 3.59
+  202.0495 C9H6N4O2- 1 202.0496 -0.4
+  202.1229 C11H14N4- 2 202.1224 2.38
+  219.0765 C9H9N5O2- 2 219.0762 1.31
+  226.1191 C8H14N6O2- 2 226.1184 3.42
+  238.1553 C10H18N6O- 2 238.1548 2.28
+  246.1119 C12H14N4O2- 3 246.1122 -1.13
+  254.1503 C12H20N3O3- 2 254.151 -2.69
+  258.0761 C12H10N4O3- 2 258.0758 1.06
+  273.1595 C14H19N5O- 3 273.1595 -0.1
+  277.1549 C15H21N2O3- 4 277.1558 -3
+  283.1406 C12H19N4O4- 3 283.1412 -2.05
+  316.0926 C13H12N6O4- 3 316.0926 0.27
+  358.1396 C18H20N3O5- 3 358.1408 -3.36
+  363.2022 C16H25N7O3- 4 363.2024 -0.53
+  390.2387 C19H30N6O3- 4 390.2385 0.59
+  485.2774 C26H37N4O5- 6 485.2769 0.85
+  666.3508 C34H52NO12- 8 666.3495 2
+  749.3873 C39H53N6O9- 7 749.388 -0.81
+  829.378 C43H53N6O11- 5 829.3778 0.28
+  830.3818 C49H54N2O10- 2 830.3784 4.1
+PK$NUM_PEAK: 26
+PK$PEAK: m/z int. rel.int.
+  116.0717 120523 97
+  135.0562 92932 75
+  142.0509 26146 21
+  162.0553 26625.1 21
+  164.0348 159901.1 129
+  179.0455 231494 187
+  202.0495 82363.5 66
+  202.1229 41692.4 33
+  219.0765 60584.4 48
+  226.1191 85280.8 68
+  238.1553 34434 27
+  246.1119 76325.6 61
+  254.1503 30996.5 25
+  258.0761 157241.8 127
+  273.1595 86193.4 69
+  277.1549 263281 212
+  283.1406 29804.7 24
+  316.0926 52111.8 42
+  358.1396 70089.5 56
+  363.2022 34148.4 27
+  390.2387 124731.3 100
+  485.2774 213728.3 172
+  666.3508 599587.7 484
+  749.3873 209408.4 169
+  829.378 1236611.4 999
+  830.3818 36308.7 29
+//
diff --git a/Eawag/MSBNK-EAWAG-ED055556.txt b/Eawag/MSBNK-EAWAG-ED055556.txt
new file mode 100644
index 0000000000..818dcbca4f
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED055556.txt
@@ -0,0 +1,125 @@
+ACCESSION: MSBNK-EAWAG-ED055556
+RECORD_TITLE: Cyanopeptolin 963A; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.05.01
+AUTHORS: E. Janssen [dtc], V. Rouge [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 555
+CH$NAME: Cyanopeptolin 963A (and isomers)
+CH$NAME: (3S)-4-[[(2S,5S,8S,11S,12S,15S,18S,21R)-5-benzyl-21-hydroxy-15-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-2-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-3-(hexanoylamino)-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C49H69N7O13
+CH$EXACT_MASS: 963.4953353
+CH$SMILES: CCCCCC(N[C@H](C(N[C@H]1[C@H](C)OC([C@H](C(C)C)NC([C@H](CC2=CC=CC=C2)N(C)C([C@H](CC(C)C)N3[C@H](O)CC[C@H](NC([C@H](CC4=CC=C(O)C=C4)NC1=O)=O)C3=O)=O)=O)=O)=O)CC(O)=O)=O
+CH$IUPAC: InChI=1S/C49H69N7O13/c1-8-9-11-16-38(58)50-35(26-40(60)61)44(63)54-42-29(6)69-49(68)41(28(4)5)53-45(64)36(25-30-14-12-10-13-15-30)55(7)48(67)37(23-27(2)3)56-39(59)22-21-33(47(56)66)51-43(62)34(52-46(42)65)24-31-17-19-32(57)20-18-31/h10,12-15,17-20,27-29,33-37,39,41-42,57,59H,8-9,11,16,21-26H2,1-7H3,(H,50,58)(H,51,62)(H,52,65)(H,53,64)(H,54,63)(H,60,61)/t29-,33-,34-,35-,36-,37-,39+,41-,42-/m0/s1
+CH$LINK: PUBCHEM CID:155802219
+CH$LINK: INCHIKEY NGPDQWFWZNXVLZ-FJOPZUAJSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 100-1003
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.419 min
+MS$FOCUSED_ION: BASE_PEAK 293.1752
+MS$FOCUSED_ION: PRECURSOR_M/Z 962.4881
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00or-0891102010-2f430925a46112d5e60b
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  110.0251 C5H4NO2- 1 110.0248 3.05
+  113.0357 C4H5N2O2- 1 113.0357 0.64
+  114.0925 C6H12NO- 1 114.0924 0.86
+  116.0716 C5H10NO2- 1 116.0717 -0.6
+  119.0501 C8H7O- 1 119.0502 -1.09
+  123.0452 C7H7O2- 1 123.0452 0.29
+  125.0359 C5H5N2O2- 1 125.0357 1.73
+  135.0563 C7H7N2O- 1 135.0564 -0.56
+  136.0404 C7H6NO2- 1 136.0404 0.07
+  139.0515 C6H7N2O2- 1 139.0513 1.57
+  140.0357 C6H6NO3- 1 140.0353 2.83
+  142.0506 C6H8NO3- 1 142.051 -2.62
+  152.0352 C7H6NO3- 1 152.0353 -0.72
+  162.0558 C9H8NO2- 1 162.0561 -1.57
+  164.0347 C8H6NO3- 2 164.0353 -3.53
+  169.0978 C8H13N2O2- 1 169.0983 -2.93
+  178.0869 C8H10N4O- 2 178.086 4.87
+  179.0455 C6H5N5O2- 2 179.0449 3.59
+  198.1243 C9H16N3O2- 2 198.1248 -2.29
+  200.1397 C7H16N6O- 2 200.1391 2.88
+  202.0503 C9H6N4O2- 2 202.0496 3.3
+  202.1223 C11H14N4- 1 202.1224 -0.57
+  205.0612 C10H9N2O3- 2 205.0619 -3.19
+  212.1399 C10H18N3O2- 2 212.1405 -2.52
+  219.0766 C9H9N5O2- 2 219.0762 2.01
+  226.1189 C8H14N6O2- 2 226.1184 2.55
+  238.1553 C10H18N6O- 2 238.1548 2.47
+  246.1128 C12H14N4O2- 2 246.1122 2.28
+  252.0976 C9H12N6O3- 1 252.0976 -0.2
+  254.1506 C12H20N3O3- 2 254.151 -1.49
+  255.1489 C14H17N5- 3 255.1489 -0.25
+  258.0761 C12H10N4O3- 2 258.0758 1.06
+  273.1598 C14H19N5O- 3 273.1595 0.91
+  277.155 C15H21N2O3- 4 277.1558 -2.78
+  283.1406 C12H19N4O4- 3 283.1412 -2.05
+  358.1402 C18H20N3O5- 2 358.1408 -1.83
+  386.1342 C17H18N6O5- 3 386.1344 -0.45
+  390.239 C19H30N6O3- 4 390.2385 1.3
+  419.2292 C20H35O9- 4 419.2287 1.21
+  485.2767 C26H37N4O5- 5 485.2769 -0.48
+  666.3503 C34H52NO12- 8 666.3495 1.17
+  829.3766 C43H53N6O11- 4 829.3778 -1.41
+PK$NUM_PEAK: 42
+PK$PEAK: m/z int. rel.int.
+  110.0251 18192.7 54
+  113.0357 23085.8 69
+  114.0925 19827.5 59
+  116.0716 215234.6 648
+  119.0501 67423.9 203
+  123.0452 25321 76
+  125.0359 27144.9 81
+  135.0563 152092.6 458
+  136.0404 24716.2 74
+  139.0515 20372.9 61
+  140.0357 15802.3 47
+  142.0506 26680 80
+  152.0352 51835.2 156
+  162.0558 33889.7 102
+  164.0347 146684.7 442
+  169.0978 121458.9 366
+  178.0869 27384.5 82
+  179.0455 176226.7 531
+  198.1243 16123.9 48
+  200.1397 36459.8 109
+  202.0503 64420.5 194
+  202.1223 94786.9 285
+  205.0612 21170.8 63
+  212.1399 17899.9 53
+  219.0766 92164.4 277
+  226.1189 122675.5 369
+  238.1553 42934.4 129
+  246.1128 98504.6 296
+  252.0976 13601 40
+  254.1506 32300.8 97
+  255.1489 35302.2 106
+  258.0761 74585.3 224
+  273.1598 145652.6 438
+  277.155 273060.2 822
+  283.1406 69072 208
+  358.1402 37010.7 111
+  386.1342 87450.2 263
+  390.239 67987.3 204
+  419.2292 42230.8 127
+  485.2767 131572.2 396
+  666.3503 331511.6 999
+  829.3766 186318.3 561
+//
diff --git a/Eawag/MSBNK-EAWAG-ED055557.txt b/Eawag/MSBNK-EAWAG-ED055557.txt
new file mode 100644
index 0000000000..3cb5e53d50
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED055557.txt
@@ -0,0 +1,105 @@
+ACCESSION: MSBNK-EAWAG-ED055557
+RECORD_TITLE: Cyanopeptolin 963A; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.05.01
+AUTHORS: E. Janssen [dtc], V. Rouge [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 555
+CH$NAME: Cyanopeptolin 963A (and isomers)
+CH$NAME: (3S)-4-[[(2S,5S,8S,11S,12S,15S,18S,21R)-5-benzyl-21-hydroxy-15-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-2-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-3-(hexanoylamino)-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C49H69N7O13
+CH$EXACT_MASS: 963.4953353
+CH$SMILES: CCCCCC(N[C@H](C(N[C@H]1[C@H](C)OC([C@H](C(C)C)NC([C@H](CC2=CC=CC=C2)N(C)C([C@H](CC(C)C)N3[C@H](O)CC[C@H](NC([C@H](CC4=CC=C(O)C=C4)NC1=O)=O)C3=O)=O)=O)=O)=O)CC(O)=O)=O
+CH$IUPAC: InChI=1S/C49H69N7O13/c1-8-9-11-16-38(58)50-35(26-40(60)61)44(63)54-42-29(6)69-49(68)41(28(4)5)53-45(64)36(25-30-14-12-10-13-15-30)55(7)48(67)37(23-27(2)3)56-39(59)22-21-33(47(56)66)51-43(62)34(52-46(42)65)24-31-17-19-32(57)20-18-31/h10,12-15,17-20,27-29,33-37,39,41-42,57,59H,8-9,11,16,21-26H2,1-7H3,(H,50,58)(H,51,62)(H,52,65)(H,53,64)(H,54,63)(H,60,61)/t29-,33-,34-,35-,36-,37-,39+,41-,42-/m0/s1
+CH$LINK: PUBCHEM CID:155802219
+CH$LINK: INCHIKEY NGPDQWFWZNXVLZ-FJOPZUAJSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 100-1003
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.419 min
+MS$FOCUSED_ION: BASE_PEAK 293.1752
+MS$FOCUSED_ION: PRECURSOR_M/Z 962.4881
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-014i-0930000000-313fb27eb171324b769e
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  110.025 C5H4NO2- 1 110.0248 1.94
+  112.0279 C4H4N2O2- 1 112.0278 0.64
+  113.0357 C4H5N2O2- 1 113.0357 0.5
+  114.0922 C6H12NO- 1 114.0924 -2.35
+  116.0716 C5H10NO2- 1 116.0717 -0.86
+  119.0502 C8H7O- 1 119.0502 -0.07
+  123.0453 C7H7O2- 1 123.0452 0.91
+  123.0564 C6H7N2O- 1 123.0564 0.14
+  125.0358 C5H5N2O2- 1 125.0357 0.94
+  131.0499 C9H7O- 1 131.0502 -2.59
+  134.0608 C8H8NO- 1 134.0611 -2.57
+  135.0562 C7H7N2O- 1 135.0564 -1.24
+  136.0401 C7H6NO2- 1 136.0404 -1.94
+  141.103 C7H13N2O- 1 141.1033 -2.14
+  143.1189 C7H15N2O- 1 143.119 -0.5
+  152.0348 C7H6NO3- 1 152.0353 -3.63
+  158.0609 C10H8NO- 1 158.0611 -1.51
+  162.056 C9H8NO2- 1 162.0561 -0.35
+  164.0346 C8H6NO3- 2 164.0353 -4.46
+  169.0977 C8H13N2O2- 2 169.0983 -3.2
+  179.0453 C6H5N5O2- 1 179.0449 2.31
+  179.0815 C7H9N5O- 1 179.0813 1.58
+  181.0976 C9H13N2O2- 2 181.0983 -3.68
+  200.1396 C7H16N6O- 2 200.1391 2.27
+  202.123 C11H14N4- 2 202.1224 2.98
+  226.1188 C8H14N6O2- 2 226.1184 1.74
+  238.1551 C10H18N6O- 2 238.1548 1.26
+  255.1492 C14H17N5- 3 255.1489 0.89
+  257.1612 C10H25O7- 3 257.1606 2.58
+  273.1595 C14H19N5O- 3 273.1595 -0.1
+  277.1548 C15H21N2O3- 3 277.1558 -3.33
+  363.202 C16H25N7O3- 4 363.2024 -1.21
+PK$NUM_PEAK: 32
+PK$PEAK: m/z int. rel.int.
+  110.025 48599.5 136
+  112.0279 19269 54
+  113.0357 86540.8 242
+  114.0922 51273.5 143
+  116.0716 332946.2 934
+  119.0502 149435 419
+  123.0453 22030 61
+  123.0564 23401.5 65
+  125.0358 66294.2 186
+  131.0499 41548.9 116
+  134.0608 17087.7 47
+  135.0562 190882 535
+  136.0401 41059.5 115
+  141.103 106005.8 297
+  143.1189 100280 281
+  152.0348 19073.8 53
+  158.0609 14998.2 42
+  162.056 45170.3 126
+  164.0346 57639.1 161
+  169.0977 355820.2 999
+  179.0453 72066 202
+  179.0815 48027.2 134
+  181.0976 18624.1 52
+  200.1396 108425.1 304
+  202.123 131160.5 368
+  226.1188 139412.1 391
+  238.1551 50897.8 142
+  255.1492 55679.7 156
+  257.1612 99202.6 278
+  273.1595 105696.5 296
+  277.1548 123652.5 347
+  363.202 84595.8 237
+//
diff --git a/Eawag/MSBNK-EAWAG-ED055558.txt b/Eawag/MSBNK-EAWAG-ED055558.txt
new file mode 100644
index 0000000000..a9ed80fbfb
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED055558.txt
@@ -0,0 +1,91 @@
+ACCESSION: MSBNK-EAWAG-ED055558
+RECORD_TITLE: Cyanopeptolin 963A; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.05.01
+AUTHORS: E. Janssen [dtc], V. Rouge [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 555
+CH$NAME: Cyanopeptolin 963A (and isomers)
+CH$NAME: (3S)-4-[[(2S,5S,8S,11S,12S,15S,18S,21R)-5-benzyl-21-hydroxy-15-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-2-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-3-(hexanoylamino)-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C49H69N7O13
+CH$EXACT_MASS: 963.4953353
+CH$SMILES: CCCCCC(N[C@H](C(N[C@H]1[C@H](C)OC([C@H](C(C)C)NC([C@H](CC2=CC=CC=C2)N(C)C([C@H](CC(C)C)N3[C@H](O)CC[C@H](NC([C@H](CC4=CC=C(O)C=C4)NC1=O)=O)C3=O)=O)=O)=O)=O)CC(O)=O)=O
+CH$IUPAC: InChI=1S/C49H69N7O13/c1-8-9-11-16-38(58)50-35(26-40(60)61)44(63)54-42-29(6)69-49(68)41(28(4)5)53-45(64)36(25-30-14-12-10-13-15-30)55(7)48(67)37(23-27(2)3)56-39(59)22-21-33(47(56)66)51-43(62)34(52-46(42)65)24-31-17-19-32(57)20-18-31/h10,12-15,17-20,27-29,33-37,39,41-42,57,59H,8-9,11,16,21-26H2,1-7H3,(H,50,58)(H,51,62)(H,52,65)(H,53,64)(H,54,63)(H,60,61)/t29-,33-,34-,35-,36-,37-,39+,41-,42-/m0/s1
+CH$LINK: PUBCHEM CID:155802219
+CH$LINK: INCHIKEY NGPDQWFWZNXVLZ-FJOPZUAJSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 100-1003
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.419 min
+MS$FOCUSED_ION: BASE_PEAK 293.1752
+MS$FOCUSED_ION: PRECURSOR_M/Z 962.4881
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-014i-0910000000-7f86d3491232c236a9ca
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  110.0247 C5H4NO2- 1 110.0248 -0.21
+  111.0202 C4H3N2O2- 1 111.02 1.59
+  112.028 C4H4N2O2- 1 112.0278 1.53
+  113.0356 C4H5N2O2- 1 113.0357 -0.37
+  114.0923 C6H12NO- 1 114.0924 -1.48
+  116.0717 C5H10NO2- 1 116.0717 0.12
+  119.0501 C8H7O- 1 119.0502 -0.84
+  123.0564 C6H7N2O- 1 123.0564 0.32
+  125.0356 C5H5N2O2- 1 125.0357 -0.04
+  131.0504 C9H7O- 1 131.0502 0.91
+  135.0562 C7H7N2O- 1 135.0564 -1.24
+  136.0401 C7H6NO2- 1 136.0404 -2.06
+  139.0508 C6H7N2O2- 1 139.0513 -3.8
+  141.1032 C7H13N2O- 1 141.1033 -0.62
+  143.1187 C7H15N2O- 1 143.119 -1.89
+  144.0455 C9H6NO- 1 144.0455 0.29
+  153.1026 C8H13N2O- 2 153.1033 -4.63
+  162.056 C9H8NO2- 1 162.0561 -0.44
+  169.0977 C8H13N2O2- 2 169.0983 -3.47
+  175.051 C9H7N2O2- 1 175.0513 -1.68
+  179.0455 C6H5N5O2- 2 179.0449 3.42
+  200.1396 C7H16N6O- 2 200.1391 2.34
+  202.1229 C11H14N4- 2 202.1224 2.6
+  226.1185 C8H14N6O2- 1 226.1184 0.72
+  257.1607 C10H25O7- 3 257.1606 0.45
+PK$NUM_PEAK: 25
+PK$PEAK: m/z int. rel.int.
+  110.0247 52556.6 153
+  111.0202 27820.3 81
+  112.028 74611.3 217
+  113.0356 121709.7 354
+  114.0923 50588.9 147
+  116.0717 304877.8 888
+  119.0501 204600.4 596
+  123.0564 21144.1 61
+  125.0356 57716.8 168
+  131.0504 35519.3 103
+  135.0562 138486.5 403
+  136.0401 25549.3 74
+  139.0508 42782.4 124
+  141.1032 94342.2 274
+  143.1187 200419.3 583
+  144.0455 20725 60
+  153.1026 23749.8 69
+  162.056 37132.6 108
+  169.0977 342906.9 999
+  175.051 22425.1 65
+  179.0455 15766.2 45
+  200.1396 181964.5 530
+  202.1229 53848.8 156
+  226.1185 51046.9 148
+  257.1607 77403.6 225
+//
diff --git a/Eawag/MSBNK-EAWAG-ED055559.txt b/Eawag/MSBNK-EAWAG-ED055559.txt
new file mode 100644
index 0000000000..1140cdcd81
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED055559.txt
@@ -0,0 +1,85 @@
+ACCESSION: MSBNK-EAWAG-ED055559
+RECORD_TITLE: Cyanopeptolin 963A; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.05.01
+AUTHORS: E. Janssen [dtc], V. Rouge [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 555
+CH$NAME: Cyanopeptolin 963A (and isomers)
+CH$NAME: (3S)-4-[[(2S,5S,8S,11S,12S,15S,18S,21R)-5-benzyl-21-hydroxy-15-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-2-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-3-(hexanoylamino)-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C49H69N7O13
+CH$EXACT_MASS: 963.4953353
+CH$SMILES: CCCCCC(N[C@H](C(N[C@H]1[C@H](C)OC([C@H](C(C)C)NC([C@H](CC2=CC=CC=C2)N(C)C([C@H](CC(C)C)N3[C@H](O)CC[C@H](NC([C@H](CC4=CC=C(O)C=C4)NC1=O)=O)C3=O)=O)=O)=O)=O)CC(O)=O)=O
+CH$IUPAC: InChI=1S/C49H69N7O13/c1-8-9-11-16-38(58)50-35(26-40(60)61)44(63)54-42-29(6)69-49(68)41(28(4)5)53-45(64)36(25-30-14-12-10-13-15-30)55(7)48(67)37(23-27(2)3)56-39(59)22-21-33(47(56)66)51-43(62)34(52-46(42)65)24-31-17-19-32(57)20-18-31/h10,12-15,17-20,27-29,33-37,39,41-42,57,59H,8-9,11,16,21-26H2,1-7H3,(H,50,58)(H,51,62)(H,52,65)(H,53,64)(H,54,63)(H,60,61)/t29-,33-,34-,35-,36-,37-,39+,41-,42-/m0/s1
+CH$LINK: PUBCHEM CID:155802219
+CH$LINK: INCHIKEY NGPDQWFWZNXVLZ-FJOPZUAJSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 100-1003
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.419 min
+MS$FOCUSED_ION: BASE_PEAK 293.1752
+MS$FOCUSED_ION: PRECURSOR_M/Z 962.4881
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-014i-0900000000-7044084818ef1b4e4845
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  109.0408 C5H5N2O- 1 109.0407 0.18
+  110.0248 C5H4NO2- 1 110.0248 0.14
+  111.0199 C4H3N2O2- 1 111.02 -0.82
+  112.0277 C4H4N2O2- 1 112.0278 -1.13
+  113.0356 C4H5N2O2- 1 113.0357 -0.31
+  114.0925 C6H12NO- 1 114.0924 0.53
+  116.0717 C5H10NO2- 1 116.0717 0.06
+  119.0502 C8H7O- 1 119.0502 0
+  124.0406 C6H6NO2- 1 124.0404 1.42
+  125.0355 C5H5N2O2- 1 125.0357 -1.56
+  126.0926 C7H12NO- 1 126.0924 1.32
+  131.0504 C9H7O- 1 131.0502 0.91
+  135.0564 C7H7N2O- 1 135.0564 0.11
+  139.0514 C6H7N2O2- 1 139.0513 0.92
+  141.1031 C7H13N2O- 1 141.1033 -1.49
+  143.1188 C7H15N2O- 1 143.119 -1.36
+  144.0456 C9H6NO- 1 144.0455 0.5
+  144.0778 C5H10N3O2- 1 144.0779 -0.02
+  153.1031 C8H13N2O- 1 153.1033 -1.24
+  169.0978 C8H13N2O2- 1 169.0983 -2.93
+  198.1254 C9H16N3O2- 2 198.1248 2.87
+  200.1397 C7H16N6O- 2 200.1391 2.88
+PK$NUM_PEAK: 22
+PK$PEAK: m/z int. rel.int.
+  109.0408 13770.1 55
+  110.0248 51451.9 208
+  111.0199 36860.7 149
+  112.0277 116171.3 469
+  113.0356 104403.7 422
+  114.0925 33938.7 137
+  116.0717 196222.5 793
+  119.0502 219935.5 889
+  124.0406 20285.9 82
+  125.0355 48838.6 197
+  126.0926 35262.8 142
+  131.0504 24722.3 99
+  135.0564 84405.5 341
+  139.0514 31579.9 127
+  141.1031 63892.8 258
+  143.1188 247064.8 999
+  144.0456 14768.7 59
+  144.0778 21364.2 86
+  153.1031 23995.8 97
+  169.0978 209885.7 848
+  198.1254 20614 83
+  200.1397 146888.2 593
+//
diff --git a/Eawag/MSBNK-EAWAG-ED058401.txt b/Eawag/MSBNK-EAWAG-ED058401.txt
new file mode 100644
index 0000000000..18bd45e717
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED058401.txt
@@ -0,0 +1,45 @@
+ACCESSION: MSBNK-EAWAG-ED058401
+RECORD_TITLE: Cyanopeptolin 992; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 3
+COMMENT: CyanoMetDB_ID 584
+CH$NAME: Cyanopeptolin 992
+CH$NAME: (3R)-4-(((2S,5S,8S,11S,12S,15S,18S,21R)-2-benzyl-8-((S)-sec-butyl)-15-(3-((diaminomethylene)amino)propyl)-21-hydroxy-5-(4-hydroxybenzyl)-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-butyramido-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C48H68N10O13
+CH$EXACT_MASS: 992.4967322
+CH$SMILES: CCCC(N[C@@H](C(N[C@H]1[C@H](C)OC([C@H]([C@H](CC)C)NC([C@H](CC2=CC=C(O)C=C2)N(C)C([C@H](CC3=CC=CC=C3)N4[C@H](O)CC[C@H](NC([C@H](CCC/N=C(N)\N)NC1=O)=O)C4=O)=O)=O)=O)=O)CC(O)=O)=O
+CH$IUPAC: InChI=1S/C48H68N10O13/c1-6-12-36(60)52-33(25-38(62)63)42(65)56-40-27(4)71-47(70)39(26(3)7-2)55-43(66)34(23-29-16-18-30(59)19-17-29)57(5)46(69)35(24-28-13-9-8-10-14-28)58-37(61)21-20-32(45(58)68)54-41(64)31(53-44(40)67)15-11-22-51-48(49)50/h8-10,13-14,16-19,26-27,31-35,37,39-40,59,61H,6-7,11-12,15,20-25H2,1-5H3,(H,52,60)(H,53,67)(H,54,64)(H,55,66)(H,56,65)(H,62,63)(H4,49,50,51)/t26-,27-,31-,32-,33+,34-,35-,37+,39-,40-/m0/s1
+CH$LINK: PUBCHEM CID: 155802438
+CH$LINK: INCHIKEY YISRXUQQIVQAHS-ZCJMFZFASA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 103-1034
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.945 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 993.504
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0006-0000000009-3134381df28398bc5934
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  110.3906 C5H50+ 1 110.3907 -1.14
+  993.502 C48H69N10O13+ 1 993.504 -2.05
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  110.3906 468884.6 50
+  993.502 9298728 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED058402.txt b/Eawag/MSBNK-EAWAG-ED058402.txt
new file mode 100644
index 0000000000..a1efbd98c4
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED058402.txt
@@ -0,0 +1,49 @@
+ACCESSION: MSBNK-EAWAG-ED058402
+RECORD_TITLE: Cyanopeptolin 992; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 3
+COMMENT: CyanoMetDB_ID 584
+CH$NAME: Cyanopeptolin 992
+CH$NAME: (3R)-4-(((2S,5S,8S,11S,12S,15S,18S,21R)-2-benzyl-8-((S)-sec-butyl)-15-(3-((diaminomethylene)amino)propyl)-21-hydroxy-5-(4-hydroxybenzyl)-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-butyramido-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C48H68N10O13
+CH$EXACT_MASS: 992.4967322
+CH$SMILES: CCCC(N[C@@H](C(N[C@H]1[C@H](C)OC([C@H]([C@H](CC)C)NC([C@H](CC2=CC=C(O)C=C2)N(C)C([C@H](CC3=CC=CC=C3)N4[C@H](O)CC[C@H](NC([C@H](CCC/N=C(N)\N)NC1=O)=O)C4=O)=O)=O)=O)=O)CC(O)=O)=O
+CH$IUPAC: InChI=1S/C48H68N10O13/c1-6-12-36(60)52-33(25-38(62)63)42(65)56-40-27(4)71-47(70)39(26(3)7-2)55-43(66)34(23-29-16-18-30(59)19-17-29)57(5)46(69)35(24-28-13-9-8-10-14-28)58-37(61)21-20-32(45(58)68)54-41(64)31(53-44(40)67)15-11-22-51-48(49)50/h8-10,13-14,16-19,26-27,31-35,37,39-40,59,61H,6-7,11-12,15,20-25H2,1-5H3,(H,52,60)(H,53,67)(H,54,64)(H,55,66)(H,56,65)(H,62,63)(H4,49,50,51)/t26-,27-,31-,32-,33+,34-,35-,37+,39-,40-/m0/s1
+CH$LINK: PUBCHEM CID: 155802438
+CH$LINK: INCHIKEY YISRXUQQIVQAHS-ZCJMFZFASA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 103-1034
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.945 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 993.504
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0006-0000000009-b32b7a9643a013bb0c68
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  110.3907 C5H50+ 1 110.3907 -0.45
+  794.421 C39H56N9O9+ 8 794.4196 1.85
+  975.4922 C48H67N10O12+ 1 975.4934 -1.28
+  993.5028 C48H69N10O13+ 1 993.504 -1.19
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  110.3907 403765.9 49
+  794.421 133723.3 16
+  975.4922 818622.4 101
+  993.5028 8077593 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED058403.txt b/Eawag/MSBNK-EAWAG-ED058403.txt
new file mode 100644
index 0000000000..f1f2de27f4
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED058403.txt
@@ -0,0 +1,51 @@
+ACCESSION: MSBNK-EAWAG-ED058403
+RECORD_TITLE: Cyanopeptolin 992; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 3
+COMMENT: CyanoMetDB_ID 584
+CH$NAME: Cyanopeptolin 992
+CH$NAME: (3R)-4-(((2S,5S,8S,11S,12S,15S,18S,21R)-2-benzyl-8-((S)-sec-butyl)-15-(3-((diaminomethylene)amino)propyl)-21-hydroxy-5-(4-hydroxybenzyl)-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-butyramido-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C48H68N10O13
+CH$EXACT_MASS: 992.4967322
+CH$SMILES: CCCC(N[C@@H](C(N[C@H]1[C@H](C)OC([C@H]([C@H](CC)C)NC([C@H](CC2=CC=C(O)C=C2)N(C)C([C@H](CC3=CC=CC=C3)N4[C@H](O)CC[C@H](NC([C@H](CCC/N=C(N)\N)NC1=O)=O)C4=O)=O)=O)=O)=O)CC(O)=O)=O
+CH$IUPAC: InChI=1S/C48H68N10O13/c1-6-12-36(60)52-33(25-38(62)63)42(65)56-40-27(4)71-47(70)39(26(3)7-2)55-43(66)34(23-29-16-18-30(59)19-17-29)57(5)46(69)35(24-28-13-9-8-10-14-28)58-37(61)21-20-32(45(58)68)54-41(64)31(53-44(40)67)15-11-22-51-48(49)50/h8-10,13-14,16-19,26-27,31-35,37,39-40,59,61H,6-7,11-12,15,20-25H2,1-5H3,(H,52,60)(H,53,67)(H,54,64)(H,55,66)(H,56,65)(H,62,63)(H4,49,50,51)/t26-,27-,31-,32-,33+,34-,35-,37+,39-,40-/m0/s1
+CH$LINK: PUBCHEM CID: 155802438
+CH$LINK: INCHIKEY YISRXUQQIVQAHS-ZCJMFZFASA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 103-1034
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.945 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 993.504
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0006-0000000009-6da624c8a75d7ac49a92
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  110.3907 C5H50+ 1 110.3907 -0.31
+  420.192 C10H28N8O10+ 6 420.1923 -0.58
+  794.4197 C39H56N9O9+ 8 794.4196 0.16
+  975.4924 C48H67N10O12+ 1 975.4934 -1.09
+  993.5032 C48H69N10O13+ 1 993.504 -0.82
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  110.3907 264022.1 49
+  420.192 119933.4 22
+  794.4197 274235.4 51
+  975.4924 2401421.2 452
+  993.5032 5296618.5 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED058404.txt b/Eawag/MSBNK-EAWAG-ED058404.txt
new file mode 100644
index 0000000000..31430c23bd
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED058404.txt
@@ -0,0 +1,59 @@
+ACCESSION: MSBNK-EAWAG-ED058404
+RECORD_TITLE: Cyanopeptolin 992; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 3
+COMMENT: CyanoMetDB_ID 584
+CH$NAME: Cyanopeptolin 992
+CH$NAME: (3R)-4-(((2S,5S,8S,11S,12S,15S,18S,21R)-2-benzyl-8-((S)-sec-butyl)-15-(3-((diaminomethylene)amino)propyl)-21-hydroxy-5-(4-hydroxybenzyl)-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-butyramido-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C48H68N10O13
+CH$EXACT_MASS: 992.4967322
+CH$SMILES: CCCC(N[C@@H](C(N[C@H]1[C@H](C)OC([C@H]([C@H](CC)C)NC([C@H](CC2=CC=C(O)C=C2)N(C)C([C@H](CC3=CC=CC=C3)N4[C@H](O)CC[C@H](NC([C@H](CCC/N=C(N)\N)NC1=O)=O)C4=O)=O)=O)=O)=O)CC(O)=O)=O
+CH$IUPAC: InChI=1S/C48H68N10O13/c1-6-12-36(60)52-33(25-38(62)63)42(65)56-40-27(4)71-47(70)39(26(3)7-2)55-43(66)34(23-29-16-18-30(59)19-17-29)57(5)46(69)35(24-28-13-9-8-10-14-28)58-37(61)21-20-32(45(58)68)54-41(64)31(53-44(40)67)15-11-22-51-48(49)50/h8-10,13-14,16-19,26-27,31-35,37,39-40,59,61H,6-7,11-12,15,20-25H2,1-5H3,(H,52,60)(H,53,67)(H,54,64)(H,55,66)(H,56,65)(H,62,63)(H4,49,50,51)/t26-,27-,31-,32-,33+,34-,35-,37+,39-,40-/m0/s1
+CH$LINK: PUBCHEM CID: 155802438
+CH$LINK: INCHIKEY YISRXUQQIVQAHS-ZCJMFZFASA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 103-1034
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.945 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 993.504
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-002f-0000000009-09572b93f9af37d86abb
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  110.3907 C5H50+ 1 110.3907 -0.17
+  150.0912 C9H12NO+ 1 150.0913 -1.05
+  215.1179 C13H15N2O+ 2 215.1179 0.05
+  223.1178 C9H19O6+ 2 223.1176 0.76
+  243.1121 C12H13N5O+ 4 243.1115 2.63
+  794.4188 C38H60N5O13+ 7 794.4182 0.7
+  947.4983 C47H67N10O11+ 1 947.4985 -0.26
+  975.4923 C48H67N10O12+ 1 975.4934 -1.22
+  993.5031 C48H69N10O13+ 1 993.504 -0.88
+PK$NUM_PEAK: 9
+PK$PEAK: m/z int. rel.int.
+  110.3907 112235.7 47
+  150.0912 229312.8 97
+  215.1179 46703.9 19
+  223.1178 37451.5 15
+  243.1121 108705 46
+  794.4188 259940.6 110
+  947.4983 158782.2 67
+  975.4923 2123827.2 904
+  993.5031 2345958 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED058405.txt b/Eawag/MSBNK-EAWAG-ED058405.txt
new file mode 100644
index 0000000000..18d4f663e1
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED058405.txt
@@ -0,0 +1,75 @@
+ACCESSION: MSBNK-EAWAG-ED058405
+RECORD_TITLE: Cyanopeptolin 992; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 3
+COMMENT: CyanoMetDB_ID 584
+CH$NAME: Cyanopeptolin 992
+CH$NAME: (3R)-4-(((2S,5S,8S,11S,12S,15S,18S,21R)-2-benzyl-8-((S)-sec-butyl)-15-(3-((diaminomethylene)amino)propyl)-21-hydroxy-5-(4-hydroxybenzyl)-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-butyramido-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C48H68N10O13
+CH$EXACT_MASS: 992.4967322
+CH$SMILES: CCCC(N[C@@H](C(N[C@H]1[C@H](C)OC([C@H]([C@H](CC)C)NC([C@H](CC2=CC=C(O)C=C2)N(C)C([C@H](CC3=CC=CC=C3)N4[C@H](O)CC[C@H](NC([C@H](CCC/N=C(N)\N)NC1=O)=O)C4=O)=O)=O)=O)=O)CC(O)=O)=O
+CH$IUPAC: InChI=1S/C48H68N10O13/c1-6-12-36(60)52-33(25-38(62)63)42(65)56-40-27(4)71-47(70)39(26(3)7-2)55-43(66)34(23-29-16-18-30(59)19-17-29)57(5)46(69)35(24-28-13-9-8-10-14-28)58-37(61)21-20-32(45(58)68)54-41(64)31(53-44(40)67)15-11-22-51-48(49)50/h8-10,13-14,16-19,26-27,31-35,37,39-40,59,61H,6-7,11-12,15,20-25H2,1-5H3,(H,52,60)(H,53,67)(H,54,64)(H,55,66)(H,56,65)(H,62,63)(H4,49,50,51)/t26-,27-,31-,32-,33+,34-,35-,37+,39-,40-/m0/s1
+CH$LINK: PUBCHEM CID: 155802438
+CH$LINK: INCHIKEY YISRXUQQIVQAHS-ZCJMFZFASA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 103-1034
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.945 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 993.504
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0uk9-0950000000-3e844610fcda65766df8
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  112.0869 C5H10N3+ 1 112.0869 -0.14
+  113.0709 C5H9N2O+ 1 113.0709 -0.42
+  120.0807 C8H10N+ 1 120.0808 -0.74
+  138.0659 C6H8N3O+ 1 138.0662 -2
+  146.0961 C10H12N+ 1 146.0964 -2.25
+  150.0911 C9H12NO+ 1 150.0913 -1.66
+  157.108 C6H13N4O+ 1 157.1084 -2.18
+  158.0961 C11H12N+ 1 158.0964 -2.17
+  170.0967 C12H12N+ 1 170.0964 1.77
+  187.1226 C12H15N2+ 1 187.123 -2.09
+  215.1172 C13H15N2O+ 2 215.1179 -3.43
+  223.1181 C9H19O6+ 3 223.1176 2.26
+  241.1293 C10H17N4O3+ 3 241.1295 -0.94
+  243.112 C12H13N5O+ 2 243.1115 2.26
+  295.1645 C13H21N5O3+ 3 295.1639 1.94
+  308.1278 C19H18NO3+ 5 308.1281 -1.05
+  420.1921 C10H28N8O10+ 6 420.1923 -0.43
+PK$NUM_PEAK: 17
+PK$PEAK: m/z int. rel.int.
+  112.0869 138921.8 194
+  113.0709 90005.4 125
+  120.0807 165920.3 232
+  138.0659 61279.6 85
+  146.0961 12526.5 17
+  150.0911 713958.8 999
+  157.108 36647.5 51
+  158.0961 35967.3 50
+  170.0967 29592.5 41
+  187.1226 72865.2 101
+  215.1172 252294.8 353
+  223.1181 149375.1 209
+  241.1293 100100.5 140
+  243.112 175918.9 246
+  295.1645 77614 108
+  308.1278 106361.5 148
+  420.1921 84322.9 117
+//
diff --git a/Eawag/MSBNK-EAWAG-ED058406.txt b/Eawag/MSBNK-EAWAG-ED058406.txt
new file mode 100644
index 0000000000..bee1c25bd7
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED058406.txt
@@ -0,0 +1,87 @@
+ACCESSION: MSBNK-EAWAG-ED058406
+RECORD_TITLE: Cyanopeptolin 992; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 3
+COMMENT: CyanoMetDB_ID 584
+CH$NAME: Cyanopeptolin 992
+CH$NAME: (3R)-4-(((2S,5S,8S,11S,12S,15S,18S,21R)-2-benzyl-8-((S)-sec-butyl)-15-(3-((diaminomethylene)amino)propyl)-21-hydroxy-5-(4-hydroxybenzyl)-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-butyramido-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C48H68N10O13
+CH$EXACT_MASS: 992.4967322
+CH$SMILES: CCCC(N[C@@H](C(N[C@H]1[C@H](C)OC([C@H]([C@H](CC)C)NC([C@H](CC2=CC=C(O)C=C2)N(C)C([C@H](CC3=CC=CC=C3)N4[C@H](O)CC[C@H](NC([C@H](CCC/N=C(N)\N)NC1=O)=O)C4=O)=O)=O)=O)=O)CC(O)=O)=O
+CH$IUPAC: InChI=1S/C48H68N10O13/c1-6-12-36(60)52-33(25-38(62)63)42(65)56-40-27(4)71-47(70)39(26(3)7-2)55-43(66)34(23-29-16-18-30(59)19-17-29)57(5)46(69)35(24-28-13-9-8-10-14-28)58-37(61)21-20-32(45(58)68)54-41(64)31(53-44(40)67)15-11-22-51-48(49)50/h8-10,13-14,16-19,26-27,31-35,37,39-40,59,61H,6-7,11-12,15,20-25H2,1-5H3,(H,52,60)(H,53,67)(H,54,64)(H,55,66)(H,56,65)(H,62,63)(H4,49,50,51)/t26-,27-,31-,32-,33+,34-,35-,37+,39-,40-/m0/s1
+CH$LINK: PUBCHEM CID:  155802438
+CH$LINK: INCHIKEY YISRXUQQIVQAHS-ZCJMFZFASA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 103-1034
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.945 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 993.504
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0uk9-0920000000-0ccfd2c6df02c61d853b
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  112.0867 C5H10N3+ 1 112.0869 -2.19
+  113.0706 C5H9N2O+ 1 113.0709 -2.65
+  115.0865 C5H11N2O+ 1 115.0866 -0.81
+  120.0806 C8H10N+ 1 120.0808 -1.82
+  121.0646 C8H9O+ 1 121.0648 -1.56
+  135.0677 C8H9NO+ 1 135.0679 -1.42
+  138.0657 C6H8N3O+ 1 138.0662 -3.32
+  146.0963 C10H12N+ 1 146.0964 -1.1
+  149.0712 C8H9N2O+ 1 149.0709 1.9
+  150.0911 C9H12NO+ 1 150.0913 -1.77
+  153.1022 C8H13N2O+ 1 153.1022 -0.07
+  162.1025 C9H12N3+ 1 162.1026 -0.24
+  167.0812 C8H11N2O2+ 1 167.0815 -1.96
+  170.0958 C12H12N+ 1 170.0964 -3.97
+  179.1291 C9H15N4+ 1 179.1291 -0.04
+  198.0913 C13H12NO+ 1 198.0913 -0.06
+  198.1232 C9H16N3O2+ 2 198.1237 -2.37
+  200.0913 C9H14NO4+ 2 200.0917 -2.11
+  212.1028 C9H14N3O3+ 1 212.103 -0.84
+  215.1171 C13H15N2O+ 2 215.1179 -3.64
+  223.1181 C9H19O6+ 3 223.1176 2.13
+  241.1291 C10H17N4O3+ 3 241.1295 -1.82
+  282.1446 C11H18N6O3+ 2 282.1435 3.86
+PK$NUM_PEAK: 23
+PK$PEAK: m/z int. rel.int.
+  112.0867 150929.7 212
+  113.0706 119466.3 168
+  115.0865 80249.4 113
+  120.0806 270965.3 382
+  121.0646 29040.6 40
+  135.0677 18474.5 26
+  138.0657 69711 98
+  146.0963 47335.2 66
+  149.0712 28282.4 39
+  150.0911 708293.8 999
+  153.1022 21349.2 30
+  162.1025 27137.1 38
+  167.0812 67285.9 94
+  170.0958 85310.2 120
+  179.1291 24804 34
+  198.0913 16405.1 23
+  198.1232 24563.9 34
+  200.0913 66314.7 93
+  212.1028 30681.5 43
+  215.1171 136077.4 191
+  223.1181 87583.6 123
+  241.1291 75436.5 106
+  282.1446 23074.8 32
+//
diff --git a/Eawag/MSBNK-EAWAG-ED058407.txt b/Eawag/MSBNK-EAWAG-ED058407.txt
new file mode 100644
index 0000000000..6a1377a13d
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED058407.txt
@@ -0,0 +1,89 @@
+ACCESSION: MSBNK-EAWAG-ED058407
+RECORD_TITLE: Cyanopeptolin 992; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 3
+COMMENT: CyanoMetDB_ID 584
+CH$NAME: Cyanopeptolin 992
+CH$NAME: (3R)-4-(((2S,5S,8S,11S,12S,15S,18S,21R)-2-benzyl-8-((S)-sec-butyl)-15-(3-((diaminomethylene)amino)propyl)-21-hydroxy-5-(4-hydroxybenzyl)-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-butyramido-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C48H68N10O13
+CH$EXACT_MASS: 992.4967322
+CH$SMILES: CCCC(N[C@@H](C(N[C@H]1[C@H](C)OC([C@H]([C@H](CC)C)NC([C@H](CC2=CC=C(O)C=C2)N(C)C([C@H](CC3=CC=CC=C3)N4[C@H](O)CC[C@H](NC([C@H](CCC/N=C(N)\N)NC1=O)=O)C4=O)=O)=O)=O)=O)CC(O)=O)=O
+CH$IUPAC: InChI=1S/C48H68N10O13/c1-6-12-36(60)52-33(25-38(62)63)42(65)56-40-27(4)71-47(70)39(26(3)7-2)55-43(66)34(23-29-16-18-30(59)19-17-29)57(5)46(69)35(24-28-13-9-8-10-14-28)58-37(61)21-20-32(45(58)68)54-41(64)31(53-44(40)67)15-11-22-51-48(49)50/h8-10,13-14,16-19,26-27,31-35,37,39-40,59,61H,6-7,11-12,15,20-25H2,1-5H3,(H,52,60)(H,53,67)(H,54,64)(H,55,66)(H,56,65)(H,62,63)(H4,49,50,51)/t26-,27-,31-,32-,33+,34-,35-,37+,39-,40-/m0/s1
+CH$LINK: PUBCHEM CID: 155802438
+CH$LINK: INCHIKEY YISRXUQQIVQAHS-ZCJMFZFASA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 103-1034
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.945 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 993.504
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0uk9-0900000000-604a659bd195b7d4b53a
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  107.0491 C7H7O+ 1 107.0491 -0.71
+  112.0867 C5H10N3+ 1 112.0869 -1.71
+  113.0708 C5H9N2O+ 1 113.0709 -0.83
+  114.0551 C5H8NO2+ 1 114.055 1.31
+  115.0865 C5H11N2O+ 1 115.0866 -0.48
+  119.0488 C8H7O+ 1 119.0491 -2.72
+  120.0806 C8H10N+ 1 120.0808 -1.7
+  121.0646 C8H9O+ 1 121.0648 -1.31
+  135.0676 C8H9NO+ 1 135.0679 -2.1
+  138.0659 C6H8N3O+ 1 138.0662 -2.11
+  140.0821 C6H10N3O+ 1 140.0818 2.07
+  146.0962 C10H12N+ 1 146.0964 -1.41
+  149.0707 C8H9N2O+ 1 149.0709 -1.89
+  150.091 C9H12NO+ 1 150.0913 -2.48
+  153.1024 C8H13N2O+ 1 153.1022 0.73
+  158.0963 C11H12N+ 1 158.0964 -1.1
+  167.0809 C8H11N2O2+ 2 167.0815 -3.6
+  170.0959 C12H12N+ 1 170.0964 -3.07
+  187.1228 C12H15N2+ 1 187.123 -1.11
+  195.0754 C7H9N5O2+ 1 195.0751 1.45
+  198.0913 C13H12NO+ 1 198.0913 0.01
+  212.1028 C9H14N3O3+ 1 212.103 -0.63
+  215.1173 C13H15N2O+ 2 215.1179 -2.86
+  223.1185 C9H19O6+ 3 223.1176 3.77
+PK$NUM_PEAK: 24
+PK$PEAK: m/z int. rel.int.
+  107.0491 36719.7 65
+  112.0867 118438.5 212
+  113.0708 93160.1 167
+  114.0551 23455.5 42
+  115.0865 61489.1 110
+  119.0488 15619.7 28
+  120.0806 286277.2 513
+  121.0646 49011.9 87
+  135.0676 36177.7 64
+  138.0659 47453.3 85
+  140.0821 19927.7 35
+  146.0962 38817.2 69
+  149.0707 56370.6 101
+  150.091 556554.6 999
+  153.1024 23727.2 42
+  158.0963 66190.3 118
+  167.0809 91525.4 164
+  170.0959 115484.3 207
+  187.1228 29390.7 52
+  195.0754 45310.7 81
+  198.0913 24023.5 43
+  212.1028 43617.2 78
+  215.1173 44380.7 79
+  223.1185 34656.7 62
+//
diff --git a/Eawag/MSBNK-EAWAG-ED058408.txt b/Eawag/MSBNK-EAWAG-ED058408.txt
new file mode 100644
index 0000000000..8ba5e7a5e1
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED058408.txt
@@ -0,0 +1,81 @@
+ACCESSION: MSBNK-EAWAG-ED058408
+RECORD_TITLE: Cyanopeptolin 992; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 3
+COMMENT: CyanoMetDB_ID 584
+CH$NAME: Cyanopeptolin 992
+CH$NAME: (3R)-4-(((2S,5S,8S,11S,12S,15S,18S,21R)-2-benzyl-8-((S)-sec-butyl)-15-(3-((diaminomethylene)amino)propyl)-21-hydroxy-5-(4-hydroxybenzyl)-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-butyramido-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C48H68N10O13
+CH$EXACT_MASS: 992.4967322
+CH$SMILES: CCCC(N[C@@H](C(N[C@H]1[C@H](C)OC([C@H]([C@H](CC)C)NC([C@H](CC2=CC=C(O)C=C2)N(C)C([C@H](CC3=CC=CC=C3)N4[C@H](O)CC[C@H](NC([C@H](CCC/N=C(N)\N)NC1=O)=O)C4=O)=O)=O)=O)=O)CC(O)=O)=O
+CH$IUPAC: InChI=1S/C48H68N10O13/c1-6-12-36(60)52-33(25-38(62)63)42(65)56-40-27(4)71-47(70)39(26(3)7-2)55-43(66)34(23-29-16-18-30(59)19-17-29)57(5)46(69)35(24-28-13-9-8-10-14-28)58-37(61)21-20-32(45(58)68)54-41(64)31(53-44(40)67)15-11-22-51-48(49)50/h8-10,13-14,16-19,26-27,31-35,37,39-40,59,61H,6-7,11-12,15,20-25H2,1-5H3,(H,52,60)(H,53,67)(H,54,64)(H,55,66)(H,56,65)(H,62,63)(H4,49,50,51)/t26-,27-,31-,32-,33+,34-,35-,37+,39-,40-/m0/s1
+CH$LINK: PUBCHEM CID: 155802438
+CH$LINK: INCHIKEY YISRXUQQIVQAHS-ZCJMFZFASA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 103-1034
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.945 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 993.504
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0uk9-0900000000-81932c5dc685aa60f5cc
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  107.0489 C7H7O+ 1 107.0491 -1.85
+  112.0869 C5H10N3+ 1 112.0869 -0.62
+  113.0707 C5H9N2O+ 1 113.0709 -2.24
+  115.0865 C5H11N2O+ 1 115.0866 -0.88
+  119.0491 C8H7O+ 1 119.0491 -0.41
+  120.0807 C8H10N+ 1 120.0808 -0.49
+  121.0648 C8H9O+ 1 121.0648 -0.05
+  122.06 C7H8NO+ 1 122.06 0.06
+  135.0676 C8H9NO+ 1 135.0679 -1.65
+  138.091 C8H12NO+ 1 138.0913 -2.81
+  141.0657 C6H9N2O2+ 1 141.0659 -1.37
+  149.0704 C8H9N2O+ 1 149.0709 -3.63
+  150.0552 C8H8NO2+ 1 150.055 1.65
+  150.091 C9H12NO+ 1 150.0913 -2.58
+  158.0961 C11H12N+ 1 158.0964 -2.17
+  167.0811 C8H11N2O2+ 1 167.0815 -2.51
+  168.0808 C12H10N+ 1 168.0808 0.37
+  170.0962 C12H12N+ 1 170.0964 -1.55
+  195.0756 C7H9N5O2+ 2 195.0751 2.78
+  198.0917 C13H12NO+ 1 198.0913 2.02
+PK$NUM_PEAK: 20
+PK$PEAK: m/z int. rel.int.
+  107.0489 62231.4 146
+  112.0869 100694.3 237
+  113.0707 41092.2 96
+  115.0865 47906.4 112
+  119.0491 42259.7 99
+  120.0807 245901.1 579
+  121.0648 53622.8 126
+  122.06 31286.1 73
+  135.0676 59547.6 140
+  138.091 16080.3 37
+  141.0657 19042.2 44
+  149.0704 59653.1 140
+  150.0552 40986 96
+  150.091 423592.5 999
+  158.0961 46078.6 108
+  167.0811 53901.8 127
+  168.0808 18357.6 43
+  170.0962 105487.2 248
+  195.0756 23801.1 56
+  198.0917 15184.7 35
+//
diff --git a/Eawag/MSBNK-EAWAG-ED058409.txt b/Eawag/MSBNK-EAWAG-ED058409.txt
new file mode 100644
index 0000000000..2171e90438
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED058409.txt
@@ -0,0 +1,71 @@
+ACCESSION: MSBNK-EAWAG-ED058409
+RECORD_TITLE: Cyanopeptolin 992; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 3
+COMMENT: CyanoMetDB_ID 584
+CH$NAME: Cyanopeptolin 992
+CH$NAME: (3R)-4-(((2S,5S,8S,11S,12S,15S,18S,21R)-2-benzyl-8-((S)-sec-butyl)-15-(3-((diaminomethylene)amino)propyl)-21-hydroxy-5-(4-hydroxybenzyl)-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-butyramido-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C48H68N10O13
+CH$EXACT_MASS: 992.4967322
+CH$SMILES: CCCC(N[C@@H](C(N[C@H]1[C@H](C)OC([C@H]([C@H](CC)C)NC([C@H](CC2=CC=C(O)C=C2)N(C)C([C@H](CC3=CC=CC=C3)N4[C@H](O)CC[C@H](NC([C@H](CCC/N=C(N)\N)NC1=O)=O)C4=O)=O)=O)=O)=O)CC(O)=O)=O
+CH$IUPAC: InChI=1S/C48H68N10O13/c1-6-12-36(60)52-33(25-38(62)63)42(65)56-40-27(4)71-47(70)39(26(3)7-2)55-43(66)34(23-29-16-18-30(59)19-17-29)57(5)46(69)35(24-28-13-9-8-10-14-28)58-37(61)21-20-32(45(58)68)54-41(64)31(53-44(40)67)15-11-22-51-48(49)50/h8-10,13-14,16-19,26-27,31-35,37,39-40,59,61H,6-7,11-12,15,20-25H2,1-5H3,(H,52,60)(H,53,67)(H,54,64)(H,55,66)(H,56,65)(H,62,63)(H4,49,50,51)/t26-,27-,31-,32-,33+,34-,35-,37+,39-,40-/m0/s1
+CH$LINK: PUBCHEM CID: 155802438
+CH$LINK: INCHIKEY YISRXUQQIVQAHS-ZCJMFZFASA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 103-1034
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.945 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 993.504
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0fk9-0900000000-eb94cd543a13591bfe30
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  107.0492 C7H7O+ 1 107.0491 0.86
+  112.0864 C5H10N3+ 1 112.0869 -4.7
+  113.0709 C5H9N2O+ 1 113.0709 -0.69
+  115.0869 C5H11N2O+ 1 115.0866 2.31
+  119.0491 C8H7O+ 1 119.0491 -0.73
+  120.0806 C8H10N+ 1 120.0808 -1.57
+  121.0648 C8H9O+ 1 121.0648 -0.05
+  122.0601 C7H8NO+ 1 122.06 0.49
+  135.0675 C8H9NO+ 1 135.0679 -2.66
+  138.0661 C6H8N3O+ 1 138.0662 -0.89
+  146.0964 C10H12N+ 1 146.0964 -0.47
+  150.0908 C9H12NO+ 1 150.0913 -3.8
+  167.0818 C8H11N2O2+ 1 167.0815 1.6
+  168.0812 C12H10N+ 1 168.0808 2.27
+  170.0961 C12H12N+ 1 170.0964 -1.91
+PK$NUM_PEAK: 15
+PK$PEAK: m/z int. rel.int.
+  107.0492 64100.5 274
+  112.0864 59165.8 253
+  113.0709 36354.1 155
+  115.0869 30701.3 131
+  119.0491 39470.7 169
+  120.0806 198744.7 851
+  121.0648 47455.8 203
+  122.0601 38643.6 165
+  135.0675 95875.2 410
+  138.0661 25985.6 111
+  146.0964 16758.8 71
+  150.0908 233283.7 999
+  167.0818 18828.6 80
+  168.0812 34602.9 148
+  170.0961 68455.9 293
+//
diff --git a/Eawag/MSBNK-EAWAG-ED058451.txt b/Eawag/MSBNK-EAWAG-ED058451.txt
new file mode 100644
index 0000000000..bacdacc90a
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED058451.txt
@@ -0,0 +1,43 @@
+ACCESSION: MSBNK-EAWAG-ED058451
+RECORD_TITLE: Cyanopeptolin 992; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 3
+COMMENT: CyanoMetDB_ID 584
+CH$NAME: Cyanopeptolin 992
+CH$NAME: (3R)-4-(((2S,5S,8S,11S,12S,15S,18S,21R)-2-benzyl-8-((S)-sec-butyl)-15-(3-((diaminomethylene)amino)propyl)-21-hydroxy-5-(4-hydroxybenzyl)-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-butyramido-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C48H68N10O13
+CH$EXACT_MASS: 992.4967322
+CH$SMILES: CCCC(N[C@@H](C(N[C@H]1[C@H](C)OC([C@H]([C@H](CC)C)NC([C@H](CC2=CC=C(O)C=C2)N(C)C([C@H](CC3=CC=CC=C3)N4[C@H](O)CC[C@H](NC([C@H](CCC/N=C(N)\N)NC1=O)=O)C4=O)=O)=O)=O)=O)CC(O)=O)=O
+CH$IUPAC: InChI=1S/C48H68N10O13/c1-6-12-36(60)52-33(25-38(62)63)42(65)56-40-27(4)71-47(70)39(26(3)7-2)55-43(66)34(23-29-16-18-30(59)19-17-29)57(5)46(69)35(24-28-13-9-8-10-14-28)58-37(61)21-20-32(45(58)68)54-41(64)31(53-44(40)67)15-11-22-51-48(49)50/h8-10,13-14,16-19,26-27,31-35,37,39-40,59,61H,6-7,11-12,15,20-25H2,1-5H3,(H,52,60)(H,53,67)(H,54,64)(H,55,66)(H,56,65)(H,62,63)(H4,49,50,51)/t26-,27-,31-,32-,33+,34-,35-,37+,39-,40-/m0/s1
+CH$LINK: PUBCHEM CID: 155802438
+CH$LINK: INCHIKEY YISRXUQQIVQAHS-ZCJMFZFASA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 103-1032
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.960 min
+MS$FOCUSED_ION: BASE_PEAK 146.9383
+MS$FOCUSED_ION: PRECURSOR_M/Z 991.4895
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0006-0000000009-eaaf2431e4ff07aa27a6
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  991.4894 C48H67N10O13- 1 991.4895 -0.04
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  991.4894 3796127.8 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED058452.txt b/Eawag/MSBNK-EAWAG-ED058452.txt
new file mode 100644
index 0000000000..879b3636b4
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED058452.txt
@@ -0,0 +1,47 @@
+ACCESSION: MSBNK-EAWAG-ED058452
+RECORD_TITLE: Cyanopeptolin 992; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 3
+COMMENT: CyanoMetDB_ID 584
+CH$NAME: Cyanopeptolin 992
+CH$NAME: (3R)-4-(((2S,5S,8S,11S,12S,15S,18S,21R)-2-benzyl-8-((S)-sec-butyl)-15-(3-((diaminomethylene)amino)propyl)-21-hydroxy-5-(4-hydroxybenzyl)-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-butyramido-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C48H68N10O13
+CH$EXACT_MASS: 992.4967322
+CH$SMILES: CCCC(N[C@@H](C(N[C@H]1[C@H](C)OC([C@H]([C@H](CC)C)NC([C@H](CC2=CC=C(O)C=C2)N(C)C([C@H](CC3=CC=CC=C3)N4[C@H](O)CC[C@H](NC([C@H](CCC/N=C(N)\N)NC1=O)=O)C4=O)=O)=O)=O)=O)CC(O)=O)=O
+CH$IUPAC: InChI=1S/C48H68N10O13/c1-6-12-36(60)52-33(25-38(62)63)42(65)56-40-27(4)71-47(70)39(26(3)7-2)55-43(66)34(23-29-16-18-30(59)19-17-29)57(5)46(69)35(24-28-13-9-8-10-14-28)58-37(61)21-20-32(45(58)68)54-41(64)31(53-44(40)67)15-11-22-51-48(49)50/h8-10,13-14,16-19,26-27,31-35,37,39-40,59,61H,6-7,11-12,15,20-25H2,1-5H3,(H,52,60)(H,53,67)(H,54,64)(H,55,66)(H,56,65)(H,62,63)(H4,49,50,51)/t26-,27-,31-,32-,33+,34-,35-,37+,39-,40-/m0/s1
+CH$LINK: PUBCHEM CID: 155802438
+CH$LINK: INCHIKEY YISRXUQQIVQAHS-ZCJMFZFASA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 103-1032
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.960 min
+MS$FOCUSED_ION: BASE_PEAK 146.9383
+MS$FOCUSED_ION: PRECURSOR_M/Z 991.4895
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0006-0000000009-94cf37f0a52b7d45f03b
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  746.3846 C34H52N9O10- 12 746.3843 0.47
+  973.4774 C48H65N10O12- 1 973.4789 -1.55
+  991.4889 C48H67N10O13- 1 991.4895 -0.59
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  746.3846 142406.3 52
+  973.4774 113300.3 41
+  991.4889 2712639.8 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED058453.txt b/Eawag/MSBNK-EAWAG-ED058453.txt
new file mode 100644
index 0000000000..c70f22b39e
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED058453.txt
@@ -0,0 +1,53 @@
+ACCESSION: MSBNK-EAWAG-ED058453
+RECORD_TITLE: Cyanopeptolin 992; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 3
+COMMENT: CyanoMetDB_ID 584
+CH$NAME: Cyanopeptolin 992
+CH$NAME: (3R)-4-(((2S,5S,8S,11S,12S,15S,18S,21R)-2-benzyl-8-((S)-sec-butyl)-15-(3-((diaminomethylene)amino)propyl)-21-hydroxy-5-(4-hydroxybenzyl)-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-butyramido-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C48H68N10O13
+CH$EXACT_MASS: 992.4967322
+CH$SMILES: CCCC(N[C@@H](C(N[C@H]1[C@H](C)OC([C@H]([C@H](CC)C)NC([C@H](CC2=CC=C(O)C=C2)N(C)C([C@H](CC3=CC=CC=C3)N4[C@H](O)CC[C@H](NC([C@H](CCC/N=C(N)\N)NC1=O)=O)C4=O)=O)=O)=O)=O)CC(O)=O)=O
+CH$IUPAC: InChI=1S/C48H68N10O13/c1-6-12-36(60)52-33(25-38(62)63)42(65)56-40-27(4)71-47(70)39(26(3)7-2)55-43(66)34(23-29-16-18-30(59)19-17-29)57(5)46(69)35(24-28-13-9-8-10-14-28)58-37(61)21-20-32(45(58)68)54-41(64)31(53-44(40)67)15-11-22-51-48(49)50/h8-10,13-14,16-19,26-27,31-35,37,39-40,59,61H,6-7,11-12,15,20-25H2,1-5H3,(H,52,60)(H,53,67)(H,54,64)(H,55,66)(H,56,65)(H,62,63)(H4,49,50,51)/t26-,27-,31-,32-,33+,34-,35-,37+,39-,40-/m0/s1
+CH$LINK: PUBCHEM CID: 155802438
+CH$LINK: INCHIKEY YISRXUQQIVQAHS-ZCJMFZFASA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 103-1032
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.960 min
+MS$FOCUSED_ION: BASE_PEAK 146.9383
+MS$FOCUSED_ION: PRECURSOR_M/Z 991.4895
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0006-0000000109-06f22b2127d9f4e046bb
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  458.2023 C20H26N8O5- 7 458.2032 -1.95
+  702.3575 C46H46N4O3- 12 702.3575 -0.04
+  746.3843 C34H52N9O10- 10 746.3843 0.06
+  792.4045 C41H56N6O10- 6 792.4063 -2.38
+  973.4797 C48H65N10O12- 1 973.4789 0.83
+  991.4892 C48H67N10O13- 1 991.4895 -0.28
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  458.2023 41594.9 26
+  702.3575 136414 87
+  746.3843 142059.9 90
+  792.4045 80005 51
+  973.4797 248573.1 159
+  991.4892 1561268 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED058454.txt b/Eawag/MSBNK-EAWAG-ED058454.txt
new file mode 100644
index 0000000000..7907801c96
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED058454.txt
@@ -0,0 +1,47 @@
+ACCESSION: MSBNK-EAWAG-ED058454
+RECORD_TITLE: Cyanopeptolin 992; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 3
+COMMENT: CyanoMetDB_ID 584
+CH$NAME: Cyanopeptolin 992
+CH$NAME: (3R)-4-(((2S,5S,8S,11S,12S,15S,18S,21R)-2-benzyl-8-((S)-sec-butyl)-15-(3-((diaminomethylene)amino)propyl)-21-hydroxy-5-(4-hydroxybenzyl)-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-butyramido-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C48H68N10O13
+CH$EXACT_MASS: 992.4967322
+CH$SMILES: CCCC(N[C@@H](C(N[C@H]1[C@H](C)OC([C@H]([C@H](CC)C)NC([C@H](CC2=CC=C(O)C=C2)N(C)C([C@H](CC3=CC=CC=C3)N4[C@H](O)CC[C@H](NC([C@H](CCC/N=C(N)\N)NC1=O)=O)C4=O)=O)=O)=O)=O)CC(O)=O)=O
+CH$IUPAC: InChI=1S/C48H68N10O13/c1-6-12-36(60)52-33(25-38(62)63)42(65)56-40-27(4)71-47(70)39(26(3)7-2)55-43(66)34(23-29-16-18-30(59)19-17-29)57(5)46(69)35(24-28-13-9-8-10-14-28)58-37(61)21-20-32(45(58)68)54-41(64)31(53-44(40)67)15-11-22-51-48(49)50/h8-10,13-14,16-19,26-27,31-35,37,39-40,59,61H,6-7,11-12,15,20-25H2,1-5H3,(H,52,60)(H,53,67)(H,54,64)(H,55,66)(H,56,65)(H,62,63)(H4,49,50,51)/t26-,27-,31-,32-,33+,34-,35-,37+,39-,40-/m0/s1
+CH$LINK: PUBCHEM CID: 155802438
+CH$LINK: INCHIKEY YISRXUQQIVQAHS-ZCJMFZFASA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 103-1032
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.960 min
+MS$FOCUSED_ION: BASE_PEAK 146.9383
+MS$FOCUSED_ION: PRECURSOR_M/Z 991.4895
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0006-0000000209-403da37fe7d7fdf256d1
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  792.4057 C41H56N6O10- 8 792.4063 -0.84
+  973.4803 C48H65N10O12- 1 973.4789 1.46
+  991.4898 C48H67N10O13- 1 991.4895 0.4
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  792.4057 146961.1 325
+  973.4803 166574.4 368
+  991.4898 451542.3 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED060301.txt b/Eawag/MSBNK-EAWAG-ED060301.txt
new file mode 100644
index 0000000000..187661b31b
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED060301.txt
@@ -0,0 +1,52 @@
+ACCESSION: MSBNK-EAWAG-ED060301
+RECORD_TITLE: Cyanopeptolin C; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.05.01
+AUTHORS: E. Janssen [dtc], V. Rouge [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 603
+CH$NAME: Cyanopeptolin C (and isomers)
+CH$NAME: Cyanopeptolin C
+CH$NAME: (3S)-4-[[(2S,5S,8S,11R,12S,15S,18S,21R)-5-benzyl-21-hydroxy-4,11-dimethyl-15-[4-(methylamino)butyl]-2-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-3-(hexanoylamino)-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C47H74N8O12
+CH$EXACT_MASS: 942.5426198
+CH$SMILES: CCCCCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@H]1[C@H](OC(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](N2[C@@H](CC[C@@H](C2=O)NC(=O)[C@@H](NC1=O)CCCCNC)O)CC(C)C)C)CC3=CC=CC=C3)C(C)C)C
+CH$IUPAC: InChI=1S/C47H74N8O12/c1-9-10-12-20-36(56)49-33(26-38(58)59)42(61)53-40-29(6)67-47(66)39(28(4)5)52-43(62)34(25-30-17-13-11-14-18-30)54(8)46(65)35(24-27(2)3)55-37(57)22-21-32(45(55)64)51-41(60)31(50-44(40)63)19-15-16-23-48-7/h11,13-14,17-18,27-29,31-35,37,39-40,48,57H,9-10,12,15-16,19-26H2,1-8H3,(H,49,56)(H,50,63)(H,51,60)(H,52,62)(H,53,61)(H,58,59)/t29-,31+,32+,33+,34+,35+,37-,39+,40+/m1/s1
+CH$LINK: CHEBI 199084
+CH$LINK: PUBCHEM CID:139292030
+CH$LINK: INCHIKEY QOZZMIMTOTZWNP-KWOQDFNWSA-N
+CH$LINK: CHEMSPIDER 78436453
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 98-983
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.799 min
+MS$FOCUSED_ION: BASE_PEAK 132.9582
+MS$FOCUSED_ION: PRECURSOR_M/Z 943.5499
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-002f-0000000009-7cc21961d2f262a871a6
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  911.5241 C46H71N8O11+ 1 911.5237 0.49
+  912.5237 C47H72N6O12+ 1 912.5203 3.76
+  925.5395 C47H73N8O11+ 1 925.5393 0.23
+  943.5492 C47H75N8O12+ 1 943.5499 -0.7
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  911.5241 715959.4 77
+  912.5237 144887.3 15
+  925.5395 6677261.5 724
+  943.5492 9211871 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED060302.txt b/Eawag/MSBNK-EAWAG-ED060302.txt
new file mode 100644
index 0000000000..b905844e4f
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED060302.txt
@@ -0,0 +1,54 @@
+ACCESSION: MSBNK-EAWAG-ED060302
+RECORD_TITLE: Cyanopeptolin C; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.05.01
+AUTHORS: E. Janssen [dtc], V. Rouge [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 603
+CH$NAME: Cyanopeptolin C (and isomers)
+CH$NAME: Cyanopeptolin C
+CH$NAME: (3S)-4-[[(2S,5S,8S,11R,12S,15S,18S,21R)-5-benzyl-21-hydroxy-4,11-dimethyl-15-[4-(methylamino)butyl]-2-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-3-(hexanoylamino)-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C47H74N8O12
+CH$EXACT_MASS: 942.5426198
+CH$SMILES: CCCCCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@H]1[C@H](OC(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](N2[C@@H](CC[C@@H](C2=O)NC(=O)[C@@H](NC1=O)CCCCNC)O)CC(C)C)C)CC3=CC=CC=C3)C(C)C)C
+CH$IUPAC: InChI=1S/C47H74N8O12/c1-9-10-12-20-36(56)49-33(26-38(58)59)42(61)53-40-29(6)67-47(66)39(28(4)5)52-43(62)34(25-30-17-13-11-14-18-30)54(8)46(65)35(24-27(2)3)55-37(57)22-21-32(45(55)64)51-41(60)31(50-44(40)63)19-15-16-23-48-7/h11,13-14,17-18,27-29,31-35,37,39-40,48,57H,9-10,12,15-16,19-26H2,1-8H3,(H,49,56)(H,50,63)(H,51,60)(H,52,62)(H,53,61)(H,58,59)/t29-,31+,32+,33+,34+,35+,37-,39+,40+/m1/s1
+CH$LINK: CHEBI 199084
+CH$LINK: PUBCHEM CID:139292030
+CH$LINK: INCHIKEY QOZZMIMTOTZWNP-KWOQDFNWSA-N
+CH$LINK: CHEMSPIDER 78436453
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 98-983
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.799 min
+MS$FOCUSED_ION: BASE_PEAK 132.9582
+MS$FOCUSED_ION: PRECURSOR_M/Z 943.5499
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-004i-0000000009-75bc4b7a3189b25a1f43
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  370.2122 C21H28N3O3+ 5 370.2125 -0.94
+  712.4388 C37H58N7O7+ 7 712.4392 -0.6
+  911.5232 C46H71N8O11+ 1 911.5237 -0.52
+  912.5291 C46H72N8O11+ 1 912.5315 -2.67
+  925.5397 C47H73N8O11+ 1 925.5393 0.43
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  370.2122 650086.6 60
+  712.4388 751073.9 69
+  911.5232 693084.3 64
+  912.5291 133464.4 12
+  925.5397 10813195 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED060303.txt b/Eawag/MSBNK-EAWAG-ED060303.txt
new file mode 100644
index 0000000000..c42e1413c5
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED060303.txt
@@ -0,0 +1,62 @@
+ACCESSION: MSBNK-EAWAG-ED060303
+RECORD_TITLE: Cyanopeptolin C; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.05.01
+AUTHORS: E. Janssen [dtc], V. Rouge [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 603
+CH$NAME: Cyanopeptolin C (and isomers)
+CH$NAME: Cyanopeptolin C
+CH$NAME: (3S)-4-[[(2S,5S,8S,11R,12S,15S,18S,21R)-5-benzyl-21-hydroxy-4,11-dimethyl-15-[4-(methylamino)butyl]-2-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-3-(hexanoylamino)-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C47H74N8O12
+CH$EXACT_MASS: 942.5426198
+CH$SMILES: CCCCCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@H]1[C@H](OC(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](N2[C@@H](CC[C@@H](C2=O)NC(=O)[C@@H](NC1=O)CCCCNC)O)CC(C)C)C)CC3=CC=CC=C3)C(C)C)C
+CH$IUPAC: InChI=1S/C47H74N8O12/c1-9-10-12-20-36(56)49-33(26-38(58)59)42(61)53-40-29(6)67-47(66)39(28(4)5)52-43(62)34(25-30-17-13-11-14-18-30)54(8)46(65)35(24-27(2)3)55-37(57)22-21-32(45(55)64)51-41(60)31(50-44(40)63)19-15-16-23-48-7/h11,13-14,17-18,27-29,31-35,37,39-40,48,57H,9-10,12,15-16,19-26H2,1-8H3,(H,49,56)(H,50,63)(H,51,60)(H,52,62)(H,53,61)(H,58,59)/t29-,31+,32+,33+,34+,35+,37-,39+,40+/m1/s1
+CH$LINK: CHEBI 199084
+CH$LINK: PUBCHEM CID:139292030
+CH$LINK: INCHIKEY QOZZMIMTOTZWNP-KWOQDFNWSA-N
+CH$LINK: CHEMSPIDER 78436453
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 98-983
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.799 min
+MS$FOCUSED_ION: BASE_PEAK 132.9582
+MS$FOCUSED_ION: PRECURSOR_M/Z 943.5499
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-004i-0002000109-5f0455c6239e8844e1cb
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  134.0964 C9H12N+ 1 134.0964 -0.21
+  209.1277 C9H15N5O+ 2 209.1271 2.71
+  370.212 C21H28N3O3+ 4 370.2125 -1.43
+  694.4296 C38H62O11+ 7 694.4287 1.35
+  712.4387 C37H58N7O7+ 7 712.4392 -0.69
+  808.4614 C44H64N4O10+ 6 808.4617 -0.38
+  911.5249 C46H71N8O11+ 1 911.5237 1.36
+  912.5305 C46H72N8O11+ 1 912.5315 -1.06
+  925.5393 C47H73N8O11+ 1 925.5393 -0.03
+PK$NUM_PEAK: 9
+PK$PEAK: m/z int. rel.int.
+  134.0964 417717.3 58
+  209.1277 535752.2 75
+  370.212 2164594 304
+  694.4296 228879.8 32
+  712.4387 1316685.9 185
+  808.4614 169518.3 23
+  911.5249 290872.7 40
+  912.5305 71580 10
+  925.5393 7090830.5 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED060304.txt b/Eawag/MSBNK-EAWAG-ED060304.txt
new file mode 100644
index 0000000000..3d0797d2de
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED060304.txt
@@ -0,0 +1,78 @@
+ACCESSION: MSBNK-EAWAG-ED060304
+RECORD_TITLE: Cyanopeptolin C; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.05.01
+AUTHORS: E. Janssen [dtc], V. Rouge [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 603
+CH$NAME: Cyanopeptolin C (and isomers)
+CH$NAME: Cyanopeptolin C
+CH$NAME: (3S)-4-[[(2S,5S,8S,11R,12S,15S,18S,21R)-5-benzyl-21-hydroxy-4,11-dimethyl-15-[4-(methylamino)butyl]-2-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-3-(hexanoylamino)-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C47H74N8O12
+CH$EXACT_MASS: 942.5426198
+CH$SMILES: CCCCCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@H]1[C@H](OC(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](N2[C@@H](CC[C@@H](C2=O)NC(=O)[C@@H](NC1=O)CCCCNC)O)CC(C)C)C)CC3=CC=CC=C3)C(C)C)C
+CH$IUPAC: InChI=1S/C47H74N8O12/c1-9-10-12-20-36(56)49-33(26-38(58)59)42(61)53-40-29(6)67-47(66)39(28(4)5)52-43(62)34(25-30-17-13-11-14-18-30)54(8)46(65)35(24-27(2)3)55-37(57)22-21-32(45(55)64)51-41(60)31(50-44(40)63)19-15-16-23-48-7/h11,13-14,17-18,27-29,31-35,37,39-40,48,57H,9-10,12,15-16,19-26H2,1-8H3,(H,49,56)(H,50,63)(H,51,60)(H,52,62)(H,53,61)(H,58,59)/t29-,31+,32+,33+,34+,35+,37-,39+,40+/m1/s1
+CH$LINK: CHEBI 199084
+CH$LINK: PUBCHEM CID:139292030
+CH$LINK: INCHIKEY QOZZMIMTOTZWNP-KWOQDFNWSA-N
+CH$LINK: CHEMSPIDER 78436453
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 98-983
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.799 min
+MS$FOCUSED_ION: BASE_PEAK 132.9582
+MS$FOCUSED_ION: PRECURSOR_M/Z 943.5499
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-05ir-0879002308-c5fafe45aebc32f0d3b5
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  134.0964 C9H12N+ 1 134.0964 -0.21
+  143.1177 C7H15N2O+ 1 143.1179 -1.07
+  153.1385 C9H17N2+ 1 153.1386 -0.92
+  181.133 C10H17N2O+ 2 181.1335 -2.94
+  209.1278 C9H15N5O+ 2 209.1271 3.07
+  233.164 C12H19N5+ 2 233.1635 2.19
+  244.1649 C9H20N6O2+ 2 244.1642 2.9
+  258.1482 CH26N2O12+ 4 258.148 0.72
+  279.1696 C13H21N5O2+ 3 279.169 2.25
+  341.1817 C15H25N4O5+ 5 341.1819 -0.8
+  370.2121 C21H28N3O3+ 5 370.2125 -1.18
+  439.2558 C20H39O10+ 6 439.2538 4.68
+  647.3762 C32H51N6O8+ 10 647.3763 -0.18
+  694.4292 C38H62O11+ 7 694.4287 0.73
+  712.4383 C36H62N3O11+ 5 712.4379 0.59
+  808.461 C44H64N4O10+ 6 808.4617 -0.83
+  925.5391 C47H73N8O11+ 1 925.5393 -0.3
+PK$NUM_PEAK: 17
+PK$PEAK: m/z int. rel.int.
+  134.0964 1047913.6 503
+  143.1177 223975.1 107
+  153.1385 176303 84
+  181.133 581628.1 279
+  209.1278 1397050 671
+  233.164 24080.5 11
+  244.1649 56478.7 27
+  258.1482 187399.7 90
+  279.1696 83123.8 39
+  341.1817 39471.8 18
+  370.2121 2079078.2 999
+  439.2558 183691.3 88
+  647.3762 215540.5 103
+  694.4292 257679.9 123
+  712.4383 851290.4 409
+  808.461 183631.5 88
+  925.5391 1933964.2 929
+//
diff --git a/Eawag/MSBNK-EAWAG-ED060305.txt b/Eawag/MSBNK-EAWAG-ED060305.txt
new file mode 100644
index 0000000000..22f2ee41bb
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED060305.txt
@@ -0,0 +1,90 @@
+ACCESSION: MSBNK-EAWAG-ED060305
+RECORD_TITLE: Cyanopeptolin C; LC-ESI-QFT; MS2; CE: 35%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.05.01
+AUTHORS: E. Janssen [dtc], V. Rouge [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 603
+CH$NAME: Cyanopeptolin C (and isomers)
+CH$NAME: Cyanopeptolin C
+CH$NAME: (3S)-4-[[(2S,5S,8S,11R,12S,15S,18S,21R)-5-benzyl-21-hydroxy-4,11-dimethyl-15-[4-(methylamino)butyl]-2-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-3-(hexanoylamino)-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C47H74N8O12
+CH$EXACT_MASS: 942.5426198
+CH$SMILES: CCCCCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@H]1[C@H](OC(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](N2[C@@H](CC[C@@H](C2=O)NC(=O)[C@@H](NC1=O)CCCCNC)O)CC(C)C)C)CC3=CC=CC=C3)C(C)C)C
+CH$IUPAC: InChI=1S/C47H74N8O12/c1-9-10-12-20-36(56)49-33(26-38(58)59)42(61)53-40-29(6)67-47(66)39(28(4)5)52-43(62)34(25-30-17-13-11-14-18-30)54(8)46(65)35(24-27(2)3)55-37(57)22-21-32(45(55)64)51-41(60)31(50-44(40)63)19-15-16-23-48-7/h11,13-14,17-18,27-29,31-35,37,39-40,48,57H,9-10,12,15-16,19-26H2,1-8H3,(H,49,56)(H,50,63)(H,51,60)(H,52,62)(H,53,61)(H,58,59)/t29-,31+,32+,33+,34+,35+,37-,39+,40+/m1/s1
+CH$LINK: CHEBI 199084
+CH$LINK: PUBCHEM CID:139292030
+CH$LINK: INCHIKEY QOZZMIMTOTZWNP-KWOQDFNWSA-N
+CH$LINK: CHEMSPIDER 78436453
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 35 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 98-983
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.799 min
+MS$FOCUSED_ION: BASE_PEAK 132.9582
+MS$FOCUSED_ION: PRECURSOR_M/Z 943.5499
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-053r-0952000000-aae60284ee657ce86873
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  124.112 C8H14N+ 1 124.1121 -0.84
+  134.0964 C9H12N+ 1 134.0964 -0.21
+  136.1124 C9H14N+ 1 136.1121 2.14
+  143.1178 C7H15N2O+ 1 143.1179 -0.43
+  153.1384 C9H17N2+ 1 153.1386 -1.22
+  169.0971 C8H13N2O2+ 1 169.0972 -0.54
+  181.1331 C10H17N2O+ 2 181.1335 -2.61
+  192.1015 C11H14NO2+ 2 192.1019 -2.13
+  209.1278 C9H15N5O+ 2 209.1271 3.07
+  214.1059 C8H14N4O3+ 1 214.106 -0.49
+  226.1542 C9H18N6O+ 2 226.1537 2.38
+  244.1642 C9H20N6O2+ 1 244.1642 -0.29
+  258.148 CH26N2O12+ 3 258.148 -0.23
+  334.213 C4H30N8O9+ 4 334.213 -0.02
+  341.1814 C15H25N4O5+ 3 341.1819 -1.61
+  370.2122 C21H28N3O3+ 4 370.2125 -0.86
+  379.2342 C19H31N4O4+ 6 379.234 0.53
+  434.2751 C21H40NO8+ 4 434.2748 0.49
+  439.2552 C20H39O10+ 5 439.2538 3.23
+  647.3763 C32H51N6O8+ 10 647.3763 0.01
+  712.4373 C36H62N3O11+ 6 712.4379 -0.78
+  764.4561 C39H64N4O11+ 5 764.4566 -0.73
+  925.5363 C47H73N8O11+ 1 925.5393 -3.26
+PK$NUM_PEAK: 23
+PK$PEAK: m/z int. rel.int.
+  124.112 51111.1 30
+  134.0964 1519556.4 902
+  136.1124 17858.6 10
+  143.1178 437955.6 260
+  153.1384 351389.5 208
+  169.0971 44253.9 26
+  181.1331 1100840.4 653
+  192.1015 40438.8 24
+  209.1278 1682612.4 999
+  214.1059 20828.3 12
+  226.1542 178653.1 106
+  244.1642 61584.5 36
+  258.148 414973.6 246
+  334.213 47713.8 28
+  341.1814 76517.9 45
+  370.2122 838459.2 497
+  379.2342 46165.2 27
+  434.2751 39580.1 23
+  439.2552 151444.6 89
+  647.3763 208792.3 123
+  712.4373 191891.7 113
+  764.4561 120139.2 71
+  925.5363 217585.2 129
+//
diff --git a/Eawag/MSBNK-EAWAG-ED060306.txt b/Eawag/MSBNK-EAWAG-ED060306.txt
new file mode 100644
index 0000000000..a849081303
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED060306.txt
@@ -0,0 +1,90 @@
+ACCESSION: MSBNK-EAWAG-ED060306
+RECORD_TITLE: Cyanopeptolin C; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.05.01
+AUTHORS: E. Janssen [dtc], V. Rouge [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 603
+CH$NAME: Cyanopeptolin C (and isomers)
+CH$NAME: Cyanopeptolin C
+CH$NAME: (3S)-4-[[(2S,5S,8S,11R,12S,15S,18S,21R)-5-benzyl-21-hydroxy-4,11-dimethyl-15-[4-(methylamino)butyl]-2-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-3-(hexanoylamino)-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C47H74N8O12
+CH$EXACT_MASS: 942.5426198
+CH$SMILES: CCCCCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@H]1[C@H](OC(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](N2[C@@H](CC[C@@H](C2=O)NC(=O)[C@@H](NC1=O)CCCCNC)O)CC(C)C)C)CC3=CC=CC=C3)C(C)C)C
+CH$IUPAC: InChI=1S/C47H74N8O12/c1-9-10-12-20-36(56)49-33(26-38(58)59)42(61)53-40-29(6)67-47(66)39(28(4)5)52-43(62)34(25-30-17-13-11-14-18-30)54(8)46(65)35(24-27(2)3)55-37(57)22-21-32(45(55)64)51-41(60)31(50-44(40)63)19-15-16-23-48-7/h11,13-14,17-18,27-29,31-35,37,39-40,48,57H,9-10,12,15-16,19-26H2,1-8H3,(H,49,56)(H,50,63)(H,51,60)(H,52,62)(H,53,61)(H,58,59)/t29-,31+,32+,33+,34+,35+,37-,39+,40+/m1/s1
+CH$LINK: CHEBI 199084
+CH$LINK: PUBCHEM CID:139292030
+CH$LINK: INCHIKEY QOZZMIMTOTZWNP-KWOQDFNWSA-N
+CH$LINK: CHEMSPIDER 78436453
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 98-983
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.799 min
+MS$FOCUSED_ION: BASE_PEAK 132.9582
+MS$FOCUSED_ION: PRECURSOR_M/Z 943.5499
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-053r-0940000000-019a4791a86e589ef93d
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  124.112 C8H14N+ 1 124.1121 -0.96
+  134.0964 C9H12N+ 1 134.0964 -0.56
+  136.1119 C9H14N+ 1 136.1121 -1
+  143.1178 C7H15N2O+ 1 143.1179 -0.86
+  153.1383 C9H17N2+ 1 153.1386 -2.02
+  169.097 C8H13N2O2+ 1 169.0972 -0.9
+  169.133 C9H17N2O+ 2 169.1335 -3.12
+  181.133 C10H17N2O+ 2 181.1335 -2.94
+  191.1169 C9H13N5+ 1 191.1165 1.86
+  192.1013 C11H14NO2+ 2 192.1019 -3.16
+  209.1276 C9H15N5O+ 2 209.1271 2.49
+  210.1237 C10H16N3O2+ 1 210.1237 -0.09
+  226.1544 C11H20N3O2+ 2 226.155 -2.88
+  233.1636 C12H19N5+ 1 233.1635 0.36
+  244.1647 C9H20N6O2+ 2 244.1642 1.77
+  254.1485 C10H18N6O2+ 2 254.1486 -0.44
+  258.1479 CH26N2O12+ 3 258.148 -0.58
+  279.1696 C13H21N5O2+ 3 279.169 2.25
+  297.1956 C4H31N3O11+ 5 297.1953 0.93
+  325.2243 C4H33N6O10+ 3 325.2253 -3.06
+  417.2495 C21H37O8+ 6 417.2483 3
+  439.2548 C20H39O10+ 5 439.2538 2.39
+  647.374 C32H51N6O8+ 9 647.3763 -3.48
+PK$NUM_PEAK: 23
+PK$PEAK: m/z int. rel.int.
+  124.112 95385.8 68
+  134.0964 1388974.1 999
+  136.1119 43395.1 31
+  143.1178 569959.9 409
+  153.1383 440342.7 316
+  169.097 63861.2 45
+  169.133 34251.5 24
+  181.133 1101150.4 791
+  191.1169 23871.3 17
+  192.1013 41916.8 30
+  209.1276 929407.9 668
+  210.1237 35528.4 25
+  226.1544 161209.6 115
+  233.1636 30808.7 22
+  244.1647 75965.6 54
+  254.1485 30681.3 22
+  258.1479 533554.2 383
+  279.1696 64375.5 46
+  297.1956 43836.7 31
+  325.2243 61496 44
+  417.2495 30164.7 21
+  439.2548 79794.9 57
+  647.374 67248.2 48
+//
diff --git a/Eawag/MSBNK-EAWAG-ED060307.txt b/Eawag/MSBNK-EAWAG-ED060307.txt
new file mode 100644
index 0000000000..e302f00416
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED060307.txt
@@ -0,0 +1,100 @@
+ACCESSION: MSBNK-EAWAG-ED060307
+RECORD_TITLE: Cyanopeptolin C; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.05.01
+AUTHORS: E. Janssen [dtc], V. Rouge [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 603
+CH$NAME: Cyanopeptolin C (and isomers)
+CH$NAME: Cyanopeptolin C
+CH$NAME: (3S)-4-[[(2S,5S,8S,11R,12S,15S,18S,21R)-5-benzyl-21-hydroxy-4,11-dimethyl-15-[4-(methylamino)butyl]-2-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-3-(hexanoylamino)-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C47H74N8O12
+CH$EXACT_MASS: 942.5426198
+CH$SMILES: CCCCCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@H]1[C@H](OC(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](N2[C@@H](CC[C@@H](C2=O)NC(=O)[C@@H](NC1=O)CCCCNC)O)CC(C)C)C)CC3=CC=CC=C3)C(C)C)C
+CH$IUPAC: InChI=1S/C47H74N8O12/c1-9-10-12-20-36(56)49-33(26-38(58)59)42(61)53-40-29(6)67-47(66)39(28(4)5)52-43(62)34(25-30-17-13-11-14-18-30)54(8)46(65)35(24-27(2)3)55-37(57)22-21-32(45(55)64)51-41(60)31(50-44(40)63)19-15-16-23-48-7/h11,13-14,17-18,27-29,31-35,37,39-40,48,57H,9-10,12,15-16,19-26H2,1-8H3,(H,49,56)(H,50,63)(H,51,60)(H,52,62)(H,53,61)(H,58,59)/t29-,31+,32+,33+,34+,35+,37-,39+,40+/m1/s1
+CH$LINK: CHEBI 199084
+CH$LINK: PUBCHEM CID:139292030
+CH$LINK: INCHIKEY QOZZMIMTOTZWNP-KWOQDFNWSA-N
+CH$LINK: CHEMSPIDER 78436453
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 98-983
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.799 min
+MS$FOCUSED_ION: BASE_PEAK 132.9582
+MS$FOCUSED_ION: PRECURSOR_M/Z 943.5499
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-001i-0920000000-2a05d85e70eda83f02be
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  105.07 C8H9+ 1 105.0699 1.23
+  119.0727 C8H9N+ 1 119.073 -1.74
+  124.1121 C8H14N+ 1 124.1121 0.21
+  132.081 C9H10N+ 1 132.0808 1.53
+  134.0964 C9H12N+ 1 134.0964 -0.33
+  136.112 C9H14N+ 1 136.1121 -0.55
+  141.1021 C7H13N2O+ 1 141.1022 -1.06
+  143.1178 C7H15N2O+ 1 143.1179 -0.64
+  153.1021 C8H13N2O+ 1 153.1022 -0.96
+  153.1384 C9H17N2+ 1 153.1386 -1.62
+  155.1178 C8H15N2O+ 1 155.1179 -0.68
+  164.1068 C10H14NO+ 1 164.107 -1.24
+  165.1019 C9H13N2O+ 1 165.1022 -2.03
+  169.0969 C8H13N2O2+ 1 169.0972 -1.62
+  169.1331 C9H17N2O+ 1 169.1335 -2.85
+  181.1331 C10H17N2O+ 2 181.1335 -2.69
+  187.0987 C12H13NO+ 2 187.0992 -2.7
+  191.1174 C9H13N5+ 2 191.1165 4.33
+  192.1015 C11H14NO2+ 1 192.1019 -1.97
+  208.1441 C11H18N3O+ 1 208.1444 -1.44
+  209.1276 C9H15N5O+ 2 209.1271 2.34
+  210.123 C10H16N3O2+ 2 210.1237 -3.29
+  215.0937 C13H13NO2+ 2 215.0941 -1.68
+  216.1003 C11H12N4O+ 3 216.1006 -1.36
+  226.154 C9H18N6O+ 2 226.1537 1.3
+  244.1647 C9H20N6O2+ 2 244.1642 2.02
+  258.148 CH26N2O12+ 3 258.148 0.01
+  341.1821 C15H25N4O5+ 6 341.1819 0.54
+PK$NUM_PEAK: 28
+PK$PEAK: m/z int. rel.int.
+  105.07 29967.6 19
+  119.0727 60079.9 38
+  124.1121 251654.5 162
+  132.081 32179.5 20
+  134.0964 1546816.1 999
+  136.112 126648.7 81
+  141.1021 37694.1 24
+  143.1178 759033.2 490
+  153.1021 37901.6 24
+  153.1384 497014.5 320
+  155.1178 17831.6 11
+  164.1068 24788.7 16
+  165.1019 32511.8 20
+  169.0969 106282.2 68
+  169.1331 51962.9 33
+  181.1331 772366.6 498
+  187.0987 25682.7 16
+  191.1174 42259.5 27
+  192.1015 45713.6 29
+  208.1441 37577.6 24
+  209.1276 255791.7 165
+  210.123 78942.9 50
+  215.0937 60704 39
+  216.1003 33291.9 21
+  226.154 88192.6 56
+  244.1647 37087.3 23
+  258.148 587258.3 379
+  341.1821 28546.2 18
+//
diff --git a/Eawag/MSBNK-EAWAG-ED060308.txt b/Eawag/MSBNK-EAWAG-ED060308.txt
new file mode 100644
index 0000000000..940269b494
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED060308.txt
@@ -0,0 +1,88 @@
+ACCESSION: MSBNK-EAWAG-ED060308
+RECORD_TITLE: Cyanopeptolin C; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.05.01
+AUTHORS: E. Janssen [dtc], V. Rouge [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 603
+CH$NAME: Cyanopeptolin C (and isomers)
+CH$NAME: Cyanopeptolin C
+CH$NAME: (3S)-4-[[(2S,5S,8S,11R,12S,15S,18S,21R)-5-benzyl-21-hydroxy-4,11-dimethyl-15-[4-(methylamino)butyl]-2-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-3-(hexanoylamino)-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C47H74N8O12
+CH$EXACT_MASS: 942.5426198
+CH$SMILES: CCCCCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@H]1[C@H](OC(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](N2[C@@H](CC[C@@H](C2=O)NC(=O)[C@@H](NC1=O)CCCCNC)O)CC(C)C)C)CC3=CC=CC=C3)C(C)C)C
+CH$IUPAC: InChI=1S/C47H74N8O12/c1-9-10-12-20-36(56)49-33(26-38(58)59)42(61)53-40-29(6)67-47(66)39(28(4)5)52-43(62)34(25-30-17-13-11-14-18-30)54(8)46(65)35(24-27(2)3)55-37(57)22-21-32(45(55)64)51-41(60)31(50-44(40)63)19-15-16-23-48-7/h11,13-14,17-18,27-29,31-35,37,39-40,48,57H,9-10,12,15-16,19-26H2,1-8H3,(H,49,56)(H,50,63)(H,51,60)(H,52,62)(H,53,61)(H,58,59)/t29-,31+,32+,33+,34+,35+,37-,39+,40+/m1/s1
+CH$LINK: CHEBI 199084
+CH$LINK: PUBCHEM CID:139292030
+CH$LINK: INCHIKEY QOZZMIMTOTZWNP-KWOQDFNWSA-N
+CH$LINK: CHEMSPIDER 78436453
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 98-983
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.799 min
+MS$FOCUSED_ION: BASE_PEAK 132.9582
+MS$FOCUSED_ION: PRECURSOR_M/Z 943.5499
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-001i-0900000000-41729e81ec2c8fbc1e6a
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  110.0599 C6H8NO+ 1 110.06 -1.03
+  110.0966 C7H12N+ 1 110.0964 1.52
+  119.0727 C8H9N+ 1 119.073 -1.93
+  124.1119 C8H14N+ 1 124.1121 -1.39
+  125.1074 C7H13N2+ 1 125.1073 0.83
+  126.0914 C7H12NO+ 1 126.0913 0.69
+  132.0809 C9H10N+ 1 132.0808 0.84
+  134.0964 C9H12N+ 1 134.0964 -0.44
+  136.1121 C9H14N+ 1 136.1121 -0.11
+  138.0912 C8H12NO+ 1 138.0913 -1.24
+  141.1023 C7H13N2O+ 1 141.1022 0.13
+  143.1178 C7H15N2O+ 1 143.1179 -0.64
+  153.1383 C9H17N2+ 1 153.1386 -1.92
+  164.1071 C10H14NO+ 1 164.107 0.52
+  165.1021 C9H13N2O+ 1 165.1022 -1.01
+  167.1176 C9H15N2O+ 1 167.1179 -1.95
+  169.0964 C8H13N2O2+ 2 169.0972 -4.24
+  181.133 C10H17N2O+ 2 181.1335 -2.94
+  191.1173 C9H13N5+ 2 191.1165 4.17
+  210.1227 C10H16N3O2+ 2 210.1237 -4.81
+  226.1543 C9H18N6O+ 2 226.1537 2.92
+  258.1478 CH26N2O12+ 3 258.148 -0.7
+PK$NUM_PEAK: 22
+PK$PEAK: m/z int. rel.int.
+  110.0599 23964.8 20
+  110.0966 36014.2 31
+  119.0727 101970.8 88
+  124.1119 246933.1 213
+  125.1074 31025.1 26
+  126.0914 33565.2 28
+  132.0809 72007.9 62
+  134.0964 1156833.4 999
+  136.1121 171919.8 148
+  138.0912 26417.2 22
+  141.1023 30043.3 25
+  143.1178 529674.2 457
+  153.1383 184973 159
+  164.1071 22215.6 19
+  165.1021 41436.3 35
+  167.1176 28535.6 24
+  169.0964 65805.8 56
+  181.133 196313.4 169
+  191.1173 34538.6 29
+  210.1227 46209.2 39
+  226.1543 15294.7 13
+  258.1478 233228.3 201
+//
diff --git a/Eawag/MSBNK-EAWAG-ED060309.txt b/Eawag/MSBNK-EAWAG-ED060309.txt
new file mode 100644
index 0000000000..b44091d123
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED060309.txt
@@ -0,0 +1,78 @@
+ACCESSION: MSBNK-EAWAG-ED060309
+RECORD_TITLE: Cyanopeptolin C; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.05.01
+AUTHORS: E. Janssen [dtc], V. Rouge [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 603
+CH$NAME: Cyanopeptolin C (and isomers)
+CH$NAME: Cyanopeptolin C
+CH$NAME: (3S)-4-[[(2S,5S,8S,11R,12S,15S,18S,21R)-5-benzyl-21-hydroxy-4,11-dimethyl-15-[4-(methylamino)butyl]-2-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-3-(hexanoylamino)-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C47H74N8O12
+CH$EXACT_MASS: 942.5426198
+CH$SMILES: CCCCCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@H]1[C@H](OC(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](N2[C@@H](CC[C@@H](C2=O)NC(=O)[C@@H](NC1=O)CCCCNC)O)CC(C)C)C)CC3=CC=CC=C3)C(C)C)C
+CH$IUPAC: InChI=1S/C47H74N8O12/c1-9-10-12-20-36(56)49-33(26-38(58)59)42(61)53-40-29(6)67-47(66)39(28(4)5)52-43(62)34(25-30-17-13-11-14-18-30)54(8)46(65)35(24-27(2)3)55-37(57)22-21-32(45(55)64)51-41(60)31(50-44(40)63)19-15-16-23-48-7/h11,13-14,17-18,27-29,31-35,37,39-40,48,57H,9-10,12,15-16,19-26H2,1-8H3,(H,49,56)(H,50,63)(H,51,60)(H,52,62)(H,53,61)(H,58,59)/t29-,31+,32+,33+,34+,35+,37-,39+,40+/m1/s1
+CH$LINK: CHEBI 199084
+CH$LINK: PUBCHEM CID:139292030
+CH$LINK: INCHIKEY QOZZMIMTOTZWNP-KWOQDFNWSA-N
+CH$LINK: CHEMSPIDER 78436453
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 98-983
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.799 min
+MS$FOCUSED_ION: BASE_PEAK 132.9582
+MS$FOCUSED_ION: PRECURSOR_M/Z 943.5499
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-001i-0900000000-8b345118c01122bba023
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  110.0601 C6H8NO+ 1 110.06 0.63
+  111.0551 C5H7N2O+ 1 111.0553 -1.81
+  118.0652 C8H8N+ 1 118.0651 0.5
+  119.0727 C8H9N+ 1 119.073 -1.93
+  124.1119 C8H14N+ 1 124.1121 -1.33
+  126.0912 C7H12NO+ 1 126.0913 -1.31
+  132.0807 C9H10N+ 1 132.0808 -0.32
+  134.0963 C9H12N+ 1 134.0964 -1.13
+  136.1119 C9H14N+ 1 136.1121 -1
+  138.0911 C8H12NO+ 1 138.0913 -1.79
+  141.102 C7H13N2O+ 1 141.1022 -1.71
+  143.1176 C7H15N2O+ 1 143.1179 -1.92
+  169.1333 C9H17N2O+ 1 169.1335 -1.67
+  181.1329 C10H17N2O+ 2 181.1335 -3.7
+  187.0985 C12H13NO+ 2 187.0992 -3.51
+  191.1173 C9H13N5+ 2 191.1165 3.69
+  216.1014 C11H12N4O+ 2 216.1006 3.86
+PK$NUM_PEAK: 17
+PK$PEAK: m/z int. rel.int.
+  110.0601 51093 49
+  111.0551 38159.4 36
+  118.0652 71466.2 69
+  119.0727 169949.7 164
+  124.1119 298056.9 288
+  126.0912 31472.1 30
+  132.0807 86405.1 83
+  134.0963 1031072.9 999
+  136.1119 203080.2 196
+  138.0911 27033.2 26
+  141.102 37266.1 36
+  143.1176 384863.5 372
+  169.1333 43787.2 42
+  181.1329 56541.1 54
+  187.0985 115367.8 111
+  191.1173 16953.1 16
+  216.1014 29737.8 28
+//
diff --git a/Eawag/MSBNK-EAWAG-ED060351.txt b/Eawag/MSBNK-EAWAG-ED060351.txt
new file mode 100644
index 0000000000..67b270e0d8
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED060351.txt
@@ -0,0 +1,50 @@
+ACCESSION: MSBNK-EAWAG-ED060351
+RECORD_TITLE: Cyanopeptolin C; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.05.01
+AUTHORS: E. Janssen [dtc], V. Rouge [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 603
+CH$NAME: Cyanopeptolin C (and isomers)
+CH$NAME: Cyanopeptolin C
+CH$NAME: (3S)-4-[[(2S,5S,8S,11R,12S,15S,18S,21R)-5-benzyl-21-hydroxy-4,11-dimethyl-15-[4-(methylamino)butyl]-2-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-3-(hexanoylamino)-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C47H74N8O12
+CH$EXACT_MASS: 942.5426198
+CH$SMILES: CCCCCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@H]1[C@H](OC(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](N2[C@@H](CC[C@@H](C2=O)NC(=O)[C@@H](NC1=O)CCCCNC)O)CC(C)C)C)CC3=CC=CC=C3)C(C)C)C
+CH$IUPAC: InChI=1S/C47H74N8O12/c1-9-10-12-20-36(56)49-33(26-38(58)59)42(61)53-40-29(6)67-47(66)39(28(4)5)52-43(62)34(25-30-17-13-11-14-18-30)54(8)46(65)35(24-27(2)3)55-37(57)22-21-32(45(55)64)51-41(60)31(50-44(40)63)19-15-16-23-48-7/h11,13-14,17-18,27-29,31-35,37,39-40,48,57H,9-10,12,15-16,19-26H2,1-8H3,(H,49,56)(H,50,63)(H,51,60)(H,52,62)(H,53,61)(H,58,59)/t29-,31+,32+,33+,34+,35+,37-,39+,40+/m1/s1
+CH$LINK: CHEBI 199084
+CH$LINK: PUBCHEM CID:139292030
+CH$LINK: INCHIKEY QOZZMIMTOTZWNP-KWOQDFNWSA-N
+CH$LINK: CHEMSPIDER 78436453
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 98-981
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.783 min
+MS$FOCUSED_ION: BASE_PEAK 253.082
+MS$FOCUSED_ION: PRECURSOR_M/Z 941.5353
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0006-0000000009-9179432d24ed2271c749
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  808.4248 C41H58N7O10- 4 808.4251 -0.36
+  923.5244 C47H71N8O11- 1 923.5248 -0.42
+  941.5354 C47H73N8O12- 1 941.5353 0.09
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  808.4248 68838.3 24
+  923.5244 310392.2 109
+  941.5354 2830104.2 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED060352.txt b/Eawag/MSBNK-EAWAG-ED060352.txt
new file mode 100644
index 0000000000..ed502eaed7
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED060352.txt
@@ -0,0 +1,52 @@
+ACCESSION: MSBNK-EAWAG-ED060352
+RECORD_TITLE: Cyanopeptolin C; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.05.01
+AUTHORS: E. Janssen [dtc], V. Rouge [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 603
+CH$NAME: Cyanopeptolin C (and isomers)
+CH$NAME: Cyanopeptolin C
+CH$NAME: (3S)-4-[[(2S,5S,8S,11R,12S,15S,18S,21R)-5-benzyl-21-hydroxy-4,11-dimethyl-15-[4-(methylamino)butyl]-2-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-3-(hexanoylamino)-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C47H74N8O12
+CH$EXACT_MASS: 942.5426198
+CH$SMILES: CCCCCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@H]1[C@H](OC(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](N2[C@@H](CC[C@@H](C2=O)NC(=O)[C@@H](NC1=O)CCCCNC)O)CC(C)C)C)CC3=CC=CC=C3)C(C)C)C
+CH$IUPAC: InChI=1S/C47H74N8O12/c1-9-10-12-20-36(56)49-33(26-38(58)59)42(61)53-40-29(6)67-47(66)39(28(4)5)52-43(62)34(25-30-17-13-11-14-18-30)54(8)46(65)35(24-27(2)3)55-37(57)22-21-32(45(55)64)51-41(60)31(50-44(40)63)19-15-16-23-48-7/h11,13-14,17-18,27-29,31-35,37,39-40,48,57H,9-10,12,15-16,19-26H2,1-8H3,(H,49,56)(H,50,63)(H,51,60)(H,52,62)(H,53,61)(H,58,59)/t29-,31+,32+,33+,34+,35+,37-,39+,40+/m1/s1
+CH$LINK: CHEBI 199084
+CH$LINK: PUBCHEM CID:139292030
+CH$LINK: INCHIKEY QOZZMIMTOTZWNP-KWOQDFNWSA-N
+CH$LINK: CHEMSPIDER 78436453
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 98-981
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.783 min
+MS$FOCUSED_ION: BASE_PEAK 253.082
+MS$FOCUSED_ION: PRECURSOR_M/Z 941.5353
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-006x-0000000009-51c82502a103d725aeaf
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  720.408 C37H58N3O11- 6 720.4077 0.39
+  808.4243 C41H58N7O10- 4 808.4251 -0.96
+  923.5248 C47H71N8O11- 1 923.5248 -0.02
+  941.5353 C47H73N8O12- 1 941.5353 -0.04
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  720.408 100849.7 86
+  808.4243 175440.8 150
+  923.5248 864746.6 740
+  941.5353 1166221.4 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED060353.txt b/Eawag/MSBNK-EAWAG-ED060353.txt
new file mode 100644
index 0000000000..b4277070c2
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED060353.txt
@@ -0,0 +1,56 @@
+ACCESSION: MSBNK-EAWAG-ED060353
+RECORD_TITLE: Cyanopeptolin C; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.05.01
+AUTHORS: E. Janssen [dtc], V. Rouge [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 603
+CH$NAME: Cyanopeptolin C (and isomers)
+CH$NAME: Cyanopeptolin C
+CH$NAME: (3S)-4-[[(2S,5S,8S,11R,12S,15S,18S,21R)-5-benzyl-21-hydroxy-4,11-dimethyl-15-[4-(methylamino)butyl]-2-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-3-(hexanoylamino)-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C47H74N8O12
+CH$EXACT_MASS: 942.5426198
+CH$SMILES: CCCCCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@H]1[C@H](OC(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](N2[C@@H](CC[C@@H](C2=O)NC(=O)[C@@H](NC1=O)CCCCNC)O)CC(C)C)C)CC3=CC=CC=C3)C(C)C)C
+CH$IUPAC: InChI=1S/C47H74N8O12/c1-9-10-12-20-36(56)49-33(26-38(58)59)42(61)53-40-29(6)67-47(66)39(28(4)5)52-43(62)34(25-30-17-13-11-14-18-30)54(8)46(65)35(24-27(2)3)55-37(57)22-21-32(45(55)64)51-41(60)31(50-44(40)63)19-15-16-23-48-7/h11,13-14,17-18,27-29,31-35,37,39-40,48,57H,9-10,12,15-16,19-26H2,1-8H3,(H,49,56)(H,50,63)(H,51,60)(H,52,62)(H,53,61)(H,58,59)/t29-,31+,32+,33+,34+,35+,37-,39+,40+/m1/s1
+CH$LINK: CHEBI 199084
+CH$LINK: PUBCHEM CID:139292030
+CH$LINK: INCHIKEY QOZZMIMTOTZWNP-KWOQDFNWSA-N
+CH$LINK: CHEMSPIDER 78436453
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 98-981
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.783 min
+MS$FOCUSED_ION: BASE_PEAK 253.082
+MS$FOCUSED_ION: PRECURSOR_M/Z 941.5353
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-05fr-0000020159-7055bad9db80ce7f95b3
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  535.2881 C39H37NO- 6 535.2881 0.16
+  720.4074 C37H58N3O11- 6 720.4077 -0.46
+  728.4347 C37H58N7O8- 7 728.4352 -0.8
+  808.4243 C41H58N7O10- 4 808.4251 -0.96
+  923.5247 C47H71N8O11- 1 923.5248 -0.09
+  941.5348 C47H73N8O12- 1 941.5353 -0.56
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  535.2881 378113.1 395
+  720.4074 124362.2 130
+  728.4347 130567.4 136
+  808.4243 715993.8 748
+  923.5247 955001.2 999
+  941.5348 272076.8 284
+//
diff --git a/Eawag/MSBNK-EAWAG-ED060354.txt b/Eawag/MSBNK-EAWAG-ED060354.txt
new file mode 100644
index 0000000000..a49fb4133c
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED060354.txt
@@ -0,0 +1,68 @@
+ACCESSION: MSBNK-EAWAG-ED060354
+RECORD_TITLE: Cyanopeptolin C; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.05.01
+AUTHORS: E. Janssen [dtc], V. Rouge [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 603
+CH$NAME: Cyanopeptolin C (and isomers)
+CH$NAME: Cyanopeptolin C
+CH$NAME: (3S)-4-[[(2S,5S,8S,11R,12S,15S,18S,21R)-5-benzyl-21-hydroxy-4,11-dimethyl-15-[4-(methylamino)butyl]-2-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-3-(hexanoylamino)-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C47H74N8O12
+CH$EXACT_MASS: 942.5426198
+CH$SMILES: CCCCCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@H]1[C@H](OC(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](N2[C@@H](CC[C@@H](C2=O)NC(=O)[C@@H](NC1=O)CCCCNC)O)CC(C)C)C)CC3=CC=CC=C3)C(C)C)C
+CH$IUPAC: InChI=1S/C47H74N8O12/c1-9-10-12-20-36(56)49-33(26-38(58)59)42(61)53-40-29(6)67-47(66)39(28(4)5)52-43(62)34(25-30-17-13-11-14-18-30)54(8)46(65)35(24-27(2)3)55-37(57)22-21-32(45(55)64)51-41(60)31(50-44(40)63)19-15-16-23-48-7/h11,13-14,17-18,27-29,31-35,37,39-40,48,57H,9-10,12,15-16,19-26H2,1-8H3,(H,49,56)(H,50,63)(H,51,60)(H,52,62)(H,53,61)(H,58,59)/t29-,31+,32+,33+,34+,35+,37-,39+,40+/m1/s1
+CH$LINK: CHEBI 199084
+CH$LINK: PUBCHEM CID:139292030
+CH$LINK: INCHIKEY QOZZMIMTOTZWNP-KWOQDFNWSA-N
+CH$LINK: CHEMSPIDER 78436453
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 98-981
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.783 min
+MS$FOCUSED_ION: BASE_PEAK 253.082
+MS$FOCUSED_ION: PRECURSOR_M/Z 941.5353
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0a4i-0000011191-3de7adb5b5214fe82fbe
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  135.0561 C7H7N2O- 1 135.0564 -1.81
+  179.0452 C6H5N5O2- 1 179.0449 1.88
+  237.1239 C10H15N5O2- 2 237.1231 3.23
+  277.155 C13H19N5O2- 3 277.1544 2.07
+  293.1503 C15H21N2O4- 3 293.1507 -1.42
+  365.1826 C17H25N4O5- 5 365.183 -1.31
+  485.2776 C27H33N8O- 7 485.2783 -1.34
+  535.2877 C39H37NO- 7 535.2881 -0.64
+  645.3991 C32H57N2O11- 8 645.3968 3.53
+  728.435 C37H58N7O8- 7 728.4352 -0.38
+  808.4249 C41H58N7O10- 4 808.4251 -0.21
+  923.5248 C47H71N8O11- 1 923.5248 0.04
+PK$NUM_PEAK: 12
+PK$PEAK: m/z int. rel.int.
+  135.0561 17240 16
+  179.0452 59468 56
+  237.1239 44915.5 42
+  277.155 27323.9 25
+  293.1503 13549.8 12
+  365.1826 95836.8 91
+  485.2776 27995.1 26
+  535.2877 204703.7 194
+  645.3991 133117.4 126
+  728.435 137928.4 131
+  808.4249 1050813.4 999
+  923.5248 226714.7 215
+//
diff --git a/Eawag/MSBNK-EAWAG-ED060355.txt b/Eawag/MSBNK-EAWAG-ED060355.txt
new file mode 100644
index 0000000000..7a06f0353c
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED060355.txt
@@ -0,0 +1,60 @@
+ACCESSION: MSBNK-EAWAG-ED060355
+RECORD_TITLE: Cyanopeptolin C; LC-ESI-QFT; MS2; CE: 35%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.05.01
+AUTHORS: E. Janssen [dtc], V. Rouge [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 603
+CH$NAME: Cyanopeptolin C (and isomers)
+CH$NAME: Cyanopeptolin C
+CH$NAME: (3S)-4-[[(2S,5S,8S,11R,12S,15S,18S,21R)-5-benzyl-21-hydroxy-4,11-dimethyl-15-[4-(methylamino)butyl]-2-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-3-(hexanoylamino)-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C47H74N8O12
+CH$EXACT_MASS: 942.5426198
+CH$SMILES: CCCCCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@H]1[C@H](OC(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](N2[C@@H](CC[C@@H](C2=O)NC(=O)[C@@H](NC1=O)CCCCNC)O)CC(C)C)C)CC3=CC=CC=C3)C(C)C)C
+CH$IUPAC: InChI=1S/C47H74N8O12/c1-9-10-12-20-36(56)49-33(26-38(58)59)42(61)53-40-29(6)67-47(66)39(28(4)5)52-43(62)34(25-30-17-13-11-14-18-30)54(8)46(65)35(24-27(2)3)55-37(57)22-21-32(45(55)64)51-41(60)31(50-44(40)63)19-15-16-23-48-7/h11,13-14,17-18,27-29,31-35,37,39-40,48,57H,9-10,12,15-16,19-26H2,1-8H3,(H,49,56)(H,50,63)(H,51,60)(H,52,62)(H,53,61)(H,58,59)/t29-,31+,32+,33+,34+,35+,37-,39+,40+/m1/s1
+CH$LINK: CHEBI 199084
+CH$LINK: PUBCHEM CID:139292030
+CH$LINK: INCHIKEY QOZZMIMTOTZWNP-KWOQDFNWSA-N
+CH$LINK: CHEMSPIDER 78436453
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 35 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 98-981
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.783 min
+MS$FOCUSED_ION: BASE_PEAK 253.082
+MS$FOCUSED_ION: PRECURSOR_M/Z 941.5353
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0a4i-0310023090-a764dbb6b5a367c3c35f
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  116.072 C5H10NO2- 1 116.0717 2.62
+  135.0565 C7H7N2O- 1 135.0564 0.57
+  169.0979 C8H13N2O2- 1 169.0983 -2.3
+  179.0453 C6H5N5O2- 1 179.0449 2.22
+  277.1545 C13H19N5O2- 2 277.1544 0.3
+  535.2883 C39H37NO- 6 535.2881 0.39
+  645.3975 C32H57N2O11- 7 645.3968 1.07
+  808.4257 C41H58N7O10- 5 808.4251 0.78
+PK$NUM_PEAK: 8
+PK$PEAK: m/z int. rel.int.
+  116.072 32129.1 70
+  135.0565 40111.8 88
+  169.0979 30992.1 68
+  179.0453 74135.6 163
+  277.1545 75077.4 165
+  535.2883 111431.3 245
+  645.3975 197474.6 434
+  808.4257 453850 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED060356.txt b/Eawag/MSBNK-EAWAG-ED060356.txt
new file mode 100644
index 0000000000..0f735dfbab
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED060356.txt
@@ -0,0 +1,70 @@
+ACCESSION: MSBNK-EAWAG-ED060356
+RECORD_TITLE: Cyanopeptolin C; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.05.01
+AUTHORS: E. Janssen [dtc], V. Rouge [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 603
+CH$NAME: Cyanopeptolin C (and isomers)
+CH$NAME: Cyanopeptolin C
+CH$NAME: (3S)-4-[[(2S,5S,8S,11R,12S,15S,18S,21R)-5-benzyl-21-hydroxy-4,11-dimethyl-15-[4-(methylamino)butyl]-2-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-3-(hexanoylamino)-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C47H74N8O12
+CH$EXACT_MASS: 942.5426198
+CH$SMILES: CCCCCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@H]1[C@H](OC(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](N2[C@@H](CC[C@@H](C2=O)NC(=O)[C@@H](NC1=O)CCCCNC)O)CC(C)C)C)CC3=CC=CC=C3)C(C)C)C
+CH$IUPAC: InChI=1S/C47H74N8O12/c1-9-10-12-20-36(56)49-33(26-38(58)59)42(61)53-40-29(6)67-47(66)39(28(4)5)52-43(62)34(25-30-17-13-11-14-18-30)54(8)46(65)35(24-27(2)3)55-37(57)22-21-32(45(55)64)51-41(60)31(50-44(40)63)19-15-16-23-48-7/h11,13-14,17-18,27-29,31-35,37,39-40,48,57H,9-10,12,15-16,19-26H2,1-8H3,(H,49,56)(H,50,63)(H,51,60)(H,52,62)(H,53,61)(H,58,59)/t29-,31+,32+,33+,34+,35+,37-,39+,40+/m1/s1
+CH$LINK: CHEBI 199084
+CH$LINK: PUBCHEM CID:139292030
+CH$LINK: INCHIKEY QOZZMIMTOTZWNP-KWOQDFNWSA-N
+CH$LINK: CHEMSPIDER 78436453
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 98-981
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.783 min
+MS$FOCUSED_ION: BASE_PEAK 253.082
+MS$FOCUSED_ION: PRECURSOR_M/Z 941.5353
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00tb-0970003000-c4eb3a44a85141eb8c34
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  116.0718 C5H10NO2- 1 116.0717 1.04
+  123.045 C7H7O2- 1 123.0452 -1.08
+  135.0563 C7H7N2O- 1 135.0564 -0.45
+  141.1032 C7H13N2O- 1 141.1033 -0.95
+  169.0974 C8H13N2O2- 2 169.0983 -4.83
+  179.0457 C6H5N5O2- 2 179.0449 4.61
+  184.1082 C6H12N6O- 1 184.1078 2.29
+  198.1238 C9H16N3O2- 2 198.1248 -4.91
+  202.1234 C11H14N4- 2 202.1224 4.79
+  246.1123 C12H14N4O2- 1 246.1122 0.42
+  273.1606 CH27N3O12- 4 273.16 2.16
+  277.1547 C13H19N5O2- 2 277.1544 0.96
+  645.3973 C32H57N2O11- 8 645.3968 0.79
+PK$NUM_PEAK: 13
+PK$PEAK: m/z int. rel.int.
+  116.0718 59040.3 591
+  123.045 10605.2 106
+  135.0563 52831.1 528
+  141.1032 18084.6 181
+  169.0974 41566 416
+  179.0457 42347.4 423
+  184.1082 14404.1 144
+  198.1238 36148.9 361
+  202.1234 30964.7 309
+  246.1123 22331.7 223
+  273.1606 91679.3 917
+  277.1547 84763.7 848
+  645.3973 99796.9 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED060501.txt b/Eawag/MSBNK-EAWAG-ED060501.txt
new file mode 100644
index 0000000000..98bf6daac8
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED060501.txt
@@ -0,0 +1,44 @@
+ACCESSION: MSBNK-EAWAG-ED060501
+RECORD_TITLE: Micropeptin K139; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.aquatox.2023.106689
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 605
+CH$NAME: Micropeptin K139
+CH$NAME: (R)-4-(((1R,2R,5S,8S,11R,12S,15S,18S,21R)-2-((R)-sec-butyl)-8-((S)-sec-butyl)-15-(3-guanidinopropyl)-21-hydroxy-5-(4-hydroxybenzyl)-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-hexanamido-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C47H74N10O13
+CH$EXACT_MASS: 986.5436824
+CH$SMILES: O=C([C@@H](NC([C@H](NC(CCCCC)=O)CC(O)=O)=O)[C@@H](C)OC1=O)N[C@H](C(N[C@@H]2C([N@@]([C@@H](CC2)O)[C@H]([C@H](C)CC)C(N(C)[C@@H](CC3=CC=C(C=C3)O)C(N[C@H]1[C@H](CC)C)=O)=O)=O)=O)CCCNC(N)=N
+CH$IUPAC: InChI=1S/C47H74N10O13/c1-8-11-12-15-34(59)51-32(24-36(61)62)41(64)55-38-27(6)70-46(69)37(25(4)9-2)54-42(65)33(23-28-16-18-29(58)19-17-28)56(7)45(68)39(26(5)10-3)57-35(60)21-20-31(44(57)67)53-40(63)30(52-43(38)66)14-13-22-50-47(48)49/h16-19,25-27,30-33,35,37-39,58,60H,8-15,20-24H2,1-7H3,(H,51,59)(H,52,66)(H,53,63)(H,54,65)(H,55,64)(H,61,62)(H4,48,49,50)/t25-,26+,27+,30-,31-,32+,33-,35+,37-,38-,39+/m0/s1
+CH$LINK: PUBCHEM CID:101096212
+CH$LINK: INCHIKEY ROTFFYYCARWRHQ-WNRHWPMLSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 102-1028
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.945 min
+MS$FOCUSED_ION: BASE_PEAK 987.5482
+MS$FOCUSED_ION: PRECURSOR_M/Z 987.551
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-000i-0000000009-b8105f0cdbbd19231aff
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  987.5478 C47H75N10O13+ 1 987.551 -3.2
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  987.5478 992581568 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED060502.txt b/Eawag/MSBNK-EAWAG-ED060502.txt
new file mode 100644
index 0000000000..54d30c72a1
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED060502.txt
@@ -0,0 +1,48 @@
+ACCESSION: MSBNK-EAWAG-ED060502
+RECORD_TITLE: Micropeptin K139; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.aquatox.2023.106689
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 605
+CH$NAME: Micropeptin K139
+CH$NAME: (R)-4-(((1R,2R,5S,8S,11R,12S,15S,18S,21R)-2-((R)-sec-butyl)-8-((S)-sec-butyl)-15-(3-guanidinopropyl)-21-hydroxy-5-(4-hydroxybenzyl)-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-hexanamido-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C47H74N10O13
+CH$EXACT_MASS: 986.5436824
+CH$SMILES: O=C([C@@H](NC([C@H](NC(CCCCC)=O)CC(O)=O)=O)[C@@H](C)OC1=O)N[C@H](C(N[C@@H]2C([N@@]([C@@H](CC2)O)[C@H]([C@H](C)CC)C(N(C)[C@@H](CC3=CC=C(C=C3)O)C(N[C@H]1[C@H](CC)C)=O)=O)=O)=O)CCCNC(N)=N
+CH$IUPAC: InChI=1S/C47H74N10O13/c1-8-11-12-15-34(59)51-32(24-36(61)62)41(64)55-38-27(6)70-46(69)37(25(4)9-2)54-42(65)33(23-28-16-18-29(58)19-17-28)56(7)45(68)39(26(5)10-3)57-35(60)21-20-31(44(57)67)53-40(63)30(52-43(38)66)14-13-22-50-47(48)49/h16-19,25-27,30-33,35,37-39,58,60H,8-15,20-24H2,1-7H3,(H,51,59)(H,52,66)(H,53,63)(H,54,65)(H,55,64)(H,61,62)(H4,48,49,50)/t25-,26+,27+,30-,31-,32+,33-,35+,37-,38-,39+/m0/s1
+CH$LINK: PUBCHEM CID:101096212
+CH$LINK: INCHIKEY ROTFFYYCARWRHQ-WNRHWPMLSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 102-1028
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.945 min
+MS$FOCUSED_ION: BASE_PEAK 987.5482
+MS$FOCUSED_ION: PRECURSOR_M/Z 987.551
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-000i-0000000009-5dbbcb74f559bc55387e
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  774.4489 C36H64N5O13+ 6 774.4495 -0.75
+  969.5419 C47H73N10O12+ 1 969.5404 1.6
+  987.5477 C47H75N10O13+ 1 987.551 -3.26
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  774.4489 40641700 46
+  969.5419 130539128 148
+  987.5477 878998144 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED060503.txt b/Eawag/MSBNK-EAWAG-ED060503.txt
new file mode 100644
index 0000000000..e37ef815f5
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED060503.txt
@@ -0,0 +1,52 @@
+ACCESSION: MSBNK-EAWAG-ED060503
+RECORD_TITLE: Micropeptin K139; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.aquatox.2023.106689
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 605
+CH$NAME: Micropeptin K139
+CH$NAME: (R)-4-(((1R,2R,5S,8S,11R,12S,15S,18S,21R)-2-((R)-sec-butyl)-8-((S)-sec-butyl)-15-(3-guanidinopropyl)-21-hydroxy-5-(4-hydroxybenzyl)-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-hexanamido-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C47H74N10O13
+CH$EXACT_MASS: 986.5436824
+CH$SMILES: O=C([C@@H](NC([C@H](NC(CCCCC)=O)CC(O)=O)=O)[C@@H](C)OC1=O)N[C@H](C(N[C@@H]2C([N@@]([C@@H](CC2)O)[C@H]([C@H](C)CC)C(N(C)[C@@H](CC3=CC=C(C=C3)O)C(N[C@H]1[C@H](CC)C)=O)=O)=O)=O)CCCNC(N)=N
+CH$IUPAC: InChI=1S/C47H74N10O13/c1-8-11-12-15-34(59)51-32(24-36(61)62)41(64)55-38-27(6)70-46(69)37(25(4)9-2)54-42(65)33(23-28-16-18-29(58)19-17-28)56(7)45(68)39(26(5)10-3)57-35(60)21-20-31(44(57)67)53-40(63)30(52-43(38)66)14-13-22-50-47(48)49/h16-19,25-27,30-33,35,37-39,58,60H,8-15,20-24H2,1-7H3,(H,51,59)(H,52,66)(H,53,63)(H,54,65)(H,55,64)(H,61,62)(H4,48,49,50)/t25-,26+,27+,30-,31-,32+,33-,35+,37-,38-,39+/m0/s1
+CH$LINK: PUBCHEM CID:101096212
+CH$LINK: INCHIKEY ROTFFYYCARWRHQ-WNRHWPMLSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 102-1028
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.945 min
+MS$FOCUSED_ION: BASE_PEAK 987.5482
+MS$FOCUSED_ION: PRECURSOR_M/Z 987.551
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00kr-0000000109-884c5f82bcad8dac05d3
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  400.2218 C20H28N6O3+ 6 400.2217 0.18
+  756.4392 C36H62N5O12+ 7 756.4389 0.28
+  774.449 C36H64N5O13+ 6 774.4495 -0.67
+  969.5393 C47H73N10O12+ 1 969.5404 -1.17
+  987.548 C47H75N10O13+ 1 987.551 -3.01
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  400.2218 10427344 20
+  756.4392 56579500 111
+  774.449 83333168 164
+  969.5393 259106704 510
+  987.548 507308096 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED060504.txt b/Eawag/MSBNK-EAWAG-ED060504.txt
new file mode 100644
index 0000000000..a11f5dbf8a
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED060504.txt
@@ -0,0 +1,66 @@
+ACCESSION: MSBNK-EAWAG-ED060504
+RECORD_TITLE: Micropeptin K139; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.aquatox.2023.106689
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 605
+CH$NAME: Micropeptin K139
+CH$NAME: (R)-4-(((1R,2R,5S,8S,11R,12S,15S,18S,21R)-2-((R)-sec-butyl)-8-((S)-sec-butyl)-15-(3-guanidinopropyl)-21-hydroxy-5-(4-hydroxybenzyl)-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-hexanamido-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C47H74N10O13
+CH$EXACT_MASS: 986.5436824
+CH$SMILES: O=C([C@@H](NC([C@H](NC(CCCCC)=O)CC(O)=O)=O)[C@@H](C)OC1=O)N[C@H](C(N[C@@H]2C([N@@]([C@@H](CC2)O)[C@H]([C@H](C)CC)C(N(C)[C@@H](CC3=CC=C(C=C3)O)C(N[C@H]1[C@H](CC)C)=O)=O)=O)=O)CCCNC(N)=N
+CH$IUPAC: InChI=1S/C47H74N10O13/c1-8-11-12-15-34(59)51-32(24-36(61)62)41(64)55-38-27(6)70-46(69)37(25(4)9-2)54-42(65)33(23-28-16-18-29(58)19-17-28)56(7)45(68)39(26(5)10-3)57-35(60)21-20-31(44(57)67)53-40(63)30(52-43(38)66)14-13-22-50-47(48)49/h16-19,25-27,30-33,35,37-39,58,60H,8-15,20-24H2,1-7H3,(H,51,59)(H,52,66)(H,53,63)(H,54,65)(H,55,64)(H,61,62)(H4,48,49,50)/t25-,26+,27+,30-,31-,32+,33-,35+,37-,38-,39+/m0/s1
+CH$LINK: PUBCHEM CID:101096212
+CH$LINK: INCHIKEY ROTFFYYCARWRHQ-WNRHWPMLSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 102-1028
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.945 min
+MS$FOCUSED_ION: BASE_PEAK 987.5482
+MS$FOCUSED_ION: PRECURSOR_M/Z 987.551
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-05n0-0000000409-7cf812f9bac2cd5f8b90
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  164.1063 C8H12N4+ 2 164.1056 3.82
+  181.1327 C8H15N5+ 2 181.1322 3.01
+  209.1274 C9H15N5O+ 1 209.1271 1.23
+  223.1177 C9H19O6+ 2 223.1176 0.47
+  400.222 C20H28N6O3+ 6 400.2217 0.64
+  728.4438 C35H62N5O11+ 7 728.444 -0.26
+  756.4389 C36H62N5O12+ 7 756.4389 -0.04
+  774.4487 C34H62N8O12+ 8 774.4482 0.74
+  852.4595 C39H64N8O13+ 3 852.4587 0.9
+  941.5453 C46H73N10O11+ 1 941.5455 -0.18
+  969.5387 C47H73N10O12+ 1 969.5404 -1.73
+  987.548 C47H75N10O13+ 1 987.551 -2.95
+PK$NUM_PEAK: 12
+PK$PEAK: m/z int. rel.int.
+  164.1063 28233354 112
+  181.1327 7333153 29
+  209.1274 12244824 48
+  223.1177 4800931.5 19
+  400.222 35182880 140
+  728.4438 4355707.5 17
+  756.4389 127638336 508
+  774.4487 103221584 411
+  852.4595 5834737 23
+  941.5453 15401837 61
+  969.5387 223084880 888
+  987.548 250766576 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED060505.txt b/Eawag/MSBNK-EAWAG-ED060505.txt
new file mode 100644
index 0000000000..3d9f5f52e3
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED060505.txt
@@ -0,0 +1,112 @@
+ACCESSION: MSBNK-EAWAG-ED060505
+RECORD_TITLE: Micropeptin K139; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.aquatox.2023.106689
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 605
+CH$NAME: Micropeptin K139
+CH$NAME: (R)-4-(((1R,2R,5S,8S,11R,12S,15S,18S,21R)-2-((R)-sec-butyl)-8-((S)-sec-butyl)-15-(3-guanidinopropyl)-21-hydroxy-5-(4-hydroxybenzyl)-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-hexanamido-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C47H74N10O13
+CH$EXACT_MASS: 986.5436824
+CH$SMILES: O=C([C@@H](NC([C@H](NC(CCCCC)=O)CC(O)=O)=O)[C@@H](C)OC1=O)N[C@H](C(N[C@@H]2C([N@@]([C@@H](CC2)O)[C@H]([C@H](C)CC)C(N(C)[C@@H](CC3=CC=C(C=C3)O)C(N[C@H]1[C@H](CC)C)=O)=O)=O)=O)CCCNC(N)=N
+CH$IUPAC: InChI=1S/C47H74N10O13/c1-8-11-12-15-34(59)51-32(24-36(61)62)41(64)55-38-27(6)70-46(69)37(25(4)9-2)54-42(65)33(23-28-16-18-29(58)19-17-28)56(7)45(68)39(26(5)10-3)57-35(60)21-20-31(44(57)67)53-40(63)30(52-43(38)66)14-13-22-50-47(48)49/h16-19,25-27,30-33,35,37-39,58,60H,8-15,20-24H2,1-7H3,(H,51,59)(H,52,66)(H,53,63)(H,54,65)(H,55,64)(H,61,62)(H4,48,49,50)/t25-,26+,27+,30-,31-,32+,33-,35+,37-,38-,39+/m0/s1
+CH$LINK: PUBCHEM CID:101096212
+CH$LINK: INCHIKEY ROTFFYYCARWRHQ-WNRHWPMLSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 102-1028
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.945 min
+MS$FOCUSED_ION: BASE_PEAK 987.5482
+MS$FOCUSED_ION: PRECURSOR_M/Z 987.551
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03di-0930100100-d141ac2fa3216f3d55d5
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  112.0867 C5H10N3+ 1 112.0869 -2.09
+  112.112 C7H14N+ 1 112.1121 -0.72
+  113.0707 C5H9N2O+ 1 113.0709 -2.49
+  115.0863 C5H11N2O+ 1 115.0866 -2.84
+  121.0645 C8H9O+ 1 121.0648 -2.69
+  124.1119 C8H14N+ 1 124.1121 -1.54
+  135.08 C9H11O+ 1 135.0804 -3.34
+  136.1116 C9H14N+ 1 136.1121 -3.72
+  138.0657 C6H8N3O+ 1 138.0662 -3.62
+  139.0977 C6H11N4+ 1 139.0978 -0.91
+  153.1382 C9H17N2+ 1 153.1386 -2.52
+  157.1081 C6H13N4O+ 1 157.1084 -1.97
+  162.1018 C9H12N3+ 1 162.1026 -4.62
+  164.1063 C8H12N4+ 2 164.1056 3.73
+  180.1122 C7H12N6+ 1 180.1118 1.97
+  181.1327 C8H15N5+ 2 181.1322 2.75
+  192.1006 C9H12N4O+ 1 192.1006 0.43
+  197.1022 C7H17O6+ 2 197.102 1.29
+  199.0702 C6H9N5O3+ 1 199.07 0.85
+  205.1328 C10H15N5+ 2 205.1322 2.74
+  209.1274 C9H15N5O+ 1 209.1271 1.16
+  214.1058 C8H14N4O3+ 1 214.106 -0.94
+  223.118 C9H19O6+ 3 223.1176 1.84
+  240.1446 C9H22NO6+ 3 240.1442 1.83
+  241.1283 C9H21O7+ 2 241.1282 0.54
+  244.1686 H22N9O6+ 4 244.1688 -0.64
+  288.1585 C15H20N4O2+ 6 288.1581 1.5
+  292.1394 C12H22NO7+ 3 292.1391 1.16
+  338.1446 C13H24NO9+ 4 338.1446 0.12
+  400.2214 C20H28N6O3+ 6 400.2217 -0.73
+  436.2177 C19H34NO10+ 6 436.2177 0.03
+  728.4437 C35H62N5O11+ 7 728.444 -0.51
+  756.439 C36H62N5O12+ 7 756.4389 0.12
+  774.4487 C34H62N8O12+ 8 774.4482 0.67
+  969.541 C47H73N10O12+ 1 969.5404 0.66
+PK$NUM_PEAK: 35
+PK$PEAK: m/z int. rel.int.
+  112.0867 12610030 138
+  112.112 1536010.6 16
+  113.0707 8998988 98
+  115.0863 4157976 45
+  121.0645 2786176.5 30
+  124.1119 2063444.4 22
+  135.08 1200381.2 13
+  136.1116 4043011.2 44
+  138.0657 6973253 76
+  139.0977 1171581.1 12
+  153.1382 8005555 87
+  157.1081 2326121.5 25
+  162.1018 1147883.6 12
+  164.1063 90955024 999
+  180.1122 1230223.9 13
+  181.1327 29104994 319
+  192.1006 10862741 119
+  197.1022 6879927.5 75
+  199.0702 3268414.8 35
+  205.1328 2114321.2 23
+  209.1274 18882654 207
+  214.1058 4881878 53
+  223.118 20591602 226
+  240.1446 7901007 86
+  241.1283 9170232 100
+  244.1686 1406285.9 15
+  288.1585 15466268 169
+  292.1394 1259248.6 13
+  338.1446 6371659.5 69
+  400.2214 10290749 113
+  436.2177 13348235 146
+  728.4437 2214539.8 24
+  756.439 19412964 213
+  774.4487 8339196 91
+  969.541 8689245 95
+//
diff --git a/Eawag/MSBNK-EAWAG-ED060506.txt b/Eawag/MSBNK-EAWAG-ED060506.txt
new file mode 100644
index 0000000000..976379d7d3
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED060506.txt
@@ -0,0 +1,128 @@
+ACCESSION: MSBNK-EAWAG-ED060506
+RECORD_TITLE: Micropeptin K139; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.aquatox.2023.106689
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 605
+CH$NAME: Micropeptin K139
+CH$NAME: (R)-4-(((1R,2R,5S,8S,11R,12S,15S,18S,21R)-2-((R)-sec-butyl)-8-((S)-sec-butyl)-15-(3-guanidinopropyl)-21-hydroxy-5-(4-hydroxybenzyl)-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-hexanamido-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C47H74N10O13
+CH$EXACT_MASS: 986.5436824
+CH$SMILES: O=C([C@@H](NC([C@H](NC(CCCCC)=O)CC(O)=O)=O)[C@@H](C)OC1=O)N[C@H](C(N[C@@H]2C([N@@]([C@@H](CC2)O)[C@H]([C@H](C)CC)C(N(C)[C@@H](CC3=CC=C(C=C3)O)C(N[C@H]1[C@H](CC)C)=O)=O)=O)=O)CCCNC(N)=N
+CH$IUPAC: InChI=1S/C47H74N10O13/c1-8-11-12-15-34(59)51-32(24-36(61)62)41(64)55-38-27(6)70-46(69)37(25(4)9-2)54-42(65)33(23-28-16-18-29(58)19-17-28)56(7)45(68)39(26(5)10-3)57-35(60)21-20-31(44(57)67)53-40(63)30(52-43(38)66)14-13-22-50-47(48)49/h16-19,25-27,30-33,35,37-39,58,60H,8-15,20-24H2,1-7H3,(H,51,59)(H,52,66)(H,53,63)(H,54,65)(H,55,64)(H,61,62)(H4,48,49,50)/t25-,26+,27+,30-,31-,32+,33-,35+,37-,38-,39+/m0/s1
+CH$LINK: PUBCHEM CID:101096212
+CH$LINK: INCHIKEY ROTFFYYCARWRHQ-WNRHWPMLSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 102-1028
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.945 min
+MS$FOCUSED_ION: BASE_PEAK 987.5482
+MS$FOCUSED_ION: PRECURSOR_M/Z 987.551
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03di-0910000000-b5fd6c534118d0d4bfbe
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  111.0551 C5H7N2O+ 1 111.0553 -1.32
+  112.0866 C5H10N3+ 1 112.0869 -2.5
+  113.0707 C5H9N2O+ 1 113.0709 -2.15
+  114.0546 C5H8NO2+ 1 114.055 -3.08
+  114.1025 C5H12N3+ 1 114.1026 -0.64
+  115.0863 C5H11N2O+ 1 115.0866 -2.64
+  121.0645 C8H9O+ 1 121.0648 -2.44
+  124.1116 C8H14N+ 1 124.1121 -3.82
+  125.0709 C6H9N2O+ 1 125.0709 0
+  132.0804 C9H10N+ 1 132.0808 -3.17
+  135.0802 C9H11O+ 1 135.0804 -1.87
+  136.1117 C9H14N+ 1 136.1121 -3.05
+  138.0657 C6H8N3O+ 1 138.0662 -3.28
+  140.0816 C6H10N3O+ 1 140.0818 -1.62
+  141.0658 C6H9N2O2+ 1 141.0659 -0.23
+  141.1017 C7H13N2O+ 1 141.1022 -3.64
+  149.0697 C6H7N5+ 1 149.0696 0.46
+  149.0832 C9H11NO+ 1 149.0835 -1.81
+  153.0654 C7H9N2O2+ 1 153.0659 -2.8
+  153.138 C9H17N2+ 1 153.1386 -4.01
+  157.108 C6H13N4O+ 1 157.1084 -2.45
+  164.1063 C8H12N4+ 2 164.1056 3.82
+  166.0969 C8H12N3O+ 2 166.0975 -3.82
+  167.1163 C7H13N5+ 1 167.1165 -1.74
+  178.0967 C7H10N6+ 2 178.0961 3.33
+  180.0758 C6H8N6O+ 1 180.0754 2.02
+  180.1122 C7H12N6+ 1 180.1118 2.22
+  181.0957 C7H11N5O+ 1 181.0958 -0.57
+  181.1325 C8H15N5+ 1 181.1322 1.91
+  192.1003 C9H12N4O+ 1 192.1006 -1.23
+  197.1022 C7H17O6+ 2 197.102 0.98
+  199.0704 C6H9N5O3+ 2 199.07 1.85
+  209.127 C9H15N5O+ 1 209.1271 -0.6
+  214.1058 C8H14N4O3+ 1 214.106 -1.15
+  216.0969 C6H12N6O3+ 2 216.0965 1.68
+  223.118 C9H19O6+ 3 223.1176 1.57
+  240.1443 C9H22NO6+ 2 240.1442 0.43
+  244.1687 H22N9O6+ 4 244.1688 -0.26
+  251.1393 C13H19N2O3+ 1 251.139 0.93
+  288.1585 C15H20N4O2+ 6 288.1581 1.6
+  292.1393 C12H22NO7+ 3 292.1391 0.85
+  314.171 C13H18N10+ 6 314.171 -0.08
+  338.1453 C13H24NO9+ 4 338.1446 2.29
+PK$NUM_PEAK: 43
+PK$PEAK: m/z int. rel.int.
+  111.0551 1662612.4 14
+  112.0866 18977098 170
+  113.0707 15653777 140
+  114.0546 2030618.1 18
+  114.1025 1562661.1 14
+  115.0863 8049932 72
+  121.0645 8012281 72
+  124.1116 5327547.5 47
+  125.0709 1966732.9 17
+  132.0804 1584159.5 14
+  135.0802 5039985.5 45
+  136.1117 9022015 81
+  138.0657 10879137 97
+  140.0816 2002436.9 17
+  141.0658 1398681.8 12
+  141.1017 2066287.1 18
+  149.0697 1169185.2 10
+  149.0832 3142874.8 28
+  153.0654 4629319.5 41
+  153.138 10007202 89
+  157.108 3598827.8 32
+  164.1063 111143008 999
+  166.0969 1347219.4 12
+  167.1163 1178408.9 10
+  178.0967 1932492.8 17
+  180.0758 1596585 14
+  180.1122 1879123.5 16
+  181.0957 3345369 30
+  181.1325 23854606 214
+  192.1003 9742143 87
+  197.1022 6289434.5 56
+  199.0704 8783824 78
+  209.127 4312857.5 38
+  214.1058 3635857.2 32
+  216.0969 2216309 19
+  223.118 14168432 127
+  240.1443 4373837.5 39
+  244.1687 1370459.5 12
+  251.1393 1911486.6 17
+  288.1585 12826416 115
+  292.1393 2517425 22
+  314.171 2334775.2 20
+  338.1453 7683229.5 69
+//
diff --git a/Eawag/MSBNK-EAWAG-ED060507.txt b/Eawag/MSBNK-EAWAG-ED060507.txt
new file mode 100644
index 0000000000..f7a9aef2c5
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED060507.txt
@@ -0,0 +1,134 @@
+ACCESSION: MSBNK-EAWAG-ED060507
+RECORD_TITLE: Micropeptin K139; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.aquatox.2023.106689
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 605
+CH$NAME: Micropeptin K139
+CH$NAME: (R)-4-(((1R,2R,5S,8S,11R,12S,15S,18S,21R)-2-((R)-sec-butyl)-8-((S)-sec-butyl)-15-(3-guanidinopropyl)-21-hydroxy-5-(4-hydroxybenzyl)-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-hexanamido-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C47H74N10O13
+CH$EXACT_MASS: 986.5436824
+CH$SMILES: O=C([C@@H](NC([C@H](NC(CCCCC)=O)CC(O)=O)=O)[C@@H](C)OC1=O)N[C@H](C(N[C@@H]2C([N@@]([C@@H](CC2)O)[C@H]([C@H](C)CC)C(N(C)[C@@H](CC3=CC=C(C=C3)O)C(N[C@H]1[C@H](CC)C)=O)=O)=O)=O)CCCNC(N)=N
+CH$IUPAC: InChI=1S/C47H74N10O13/c1-8-11-12-15-34(59)51-32(24-36(61)62)41(64)55-38-27(6)70-46(69)37(25(4)9-2)54-42(65)33(23-28-16-18-29(58)19-17-28)56(7)45(68)39(26(5)10-3)57-35(60)21-20-31(44(57)67)53-40(63)30(52-43(38)66)14-13-22-50-47(48)49/h16-19,25-27,30-33,35,37-39,58,60H,8-15,20-24H2,1-7H3,(H,51,59)(H,52,66)(H,53,63)(H,54,65)(H,55,64)(H,61,62)(H4,48,49,50)/t25-,26+,27+,30-,31-,32+,33-,35+,37-,38-,39+/m0/s1
+CH$LINK: PUBCHEM CID:101096212
+CH$LINK: INCHIKEY ROTFFYYCARWRHQ-WNRHWPMLSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 102-1028
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.945 min
+MS$FOCUSED_ION: BASE_PEAK 987.5482
+MS$FOCUSED_ION: PRECURSOR_M/Z 987.551
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03di-0900000000-e7c61f00cc7880864902
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  105.0699 C8H9+ 1 105.0699 0.06
+  108.0566 C7H8O+ 1 108.057 -3.6
+  111.0554 C5H7N2O+ 1 111.0553 0.81
+  112.0867 C5H10N3+ 1 112.0869 -2.3
+  113.0707 C5H9N2O+ 1 113.0709 -2.29
+  114.1024 C5H12N3+ 1 114.1026 -1.18
+  115.0864 C5H11N2O+ 1 115.0866 -1.85
+  117.0572 C8H7N+ 1 117.0573 -0.64
+  121.0644 C8H9O+ 1 121.0648 -3.32
+  123.08 C8H11O+ 1 123.0804 -3.76
+  124.1117 C8H14N+ 1 124.1121 -2.83
+  125.0708 C6H9N2O+ 1 125.0709 -0.79
+  127.0975 C5H11N4+ 1 127.0978 -2.27
+  132.0801 C9H10N+ 1 132.0808 -4.9
+  133.0881 C9H11N+ 1 133.0886 -4.07
+  134.0596 C8H8NO+ 1 134.06 -3.42
+  135.0799 C9H11O+ 1 135.0804 -3.68
+  136.1116 C9H14N+ 1 136.1121 -3.27
+  138.0659 C6H8N3O+ 1 138.0662 -1.74
+  138.0907 C8H12NO+ 1 138.0913 -4.54
+  140.0814 C6H10N3O+ 1 140.0818 -3.15
+  141.0656 C6H9N2O2+ 1 141.0659 -1.64
+  149.0701 C6H7N5+ 1 149.0696 3.43
+  149.0831 C9H11NO+ 1 149.0835 -2.63
+  153.0653 C7H9N2O2+ 2 153.0659 -3.8
+  153.102 C8H13N2O+ 1 153.1022 -1.36
+  153.1379 C9H17N2+ 1 153.1386 -4.61
+  162.1018 C9H12N3+ 1 162.1026 -4.71
+  164.1062 C8H12N4+ 2 164.1056 3.54
+  166.097 C8H12N3O+ 2 166.0975 -3.17
+  167.1162 C7H13N5+ 1 167.1165 -1.92
+  170.091 C5H10N6O+ 1 170.0911 -0.17
+  171.0754 C5H9N5O2+ 1 171.0751 1.71
+  179.1284 C9H15N4+ 2 179.1291 -4.07
+  180.1125 C7H12N6+ 2 180.1118 3.92
+  181.0956 C7H11N5O+ 1 181.0958 -0.9
+  181.1325 C8H15N5+ 1 181.1322 1.49
+  182.0919 C6H10N6O+ 2 182.0911 4.45
+  192.0992 C7H10N7+ 2 192.0992 -0.28
+  195.1234 C9H15N4O+ 3 195.124 -3.43
+  199.0704 C6H9N5O3+ 2 199.07 2.08
+  208.1074 C10H14N3O2+ 2 208.1081 -2.94
+  214.1066 C8H14N4O3+ 2 214.106 2.49
+  223.1181 C9H19O6+ 3 223.1176 2.39
+  240.1439 C8H16N8O+ 3 240.1442 -1.07
+  241.1284 C9H21O7+ 3 241.1282 1.11
+PK$NUM_PEAK: 46
+PK$PEAK: m/z int. rel.int.
+  105.0699 943768.6 10
+  108.0566 2366603.2 25
+  111.0554 3351286.5 35
+  112.0867 14862403 159
+  113.0707 14079319 150
+  114.1024 1485082.4 15
+  115.0864 9037824 96
+  117.0572 1739309.6 18
+  121.0644 10378921 111
+  123.08 1312887.5 14
+  124.1117 4709991.5 50
+  125.0708 2805614.5 30
+  127.0975 1013768.2 10
+  132.0801 2990057.8 31
+  133.0881 1349550.5 14
+  134.0596 1151948.9 12
+  135.0799 7401884 79
+  136.1116 9352218 100
+  138.0659 8936093 95
+  138.0907 1801083.4 19
+  140.0814 2485138 26
+  141.0656 1996115.5 21
+  149.0701 3251683.5 34
+  149.0831 5982179 64
+  153.0653 5987358.5 64
+  153.102 3493826.2 37
+  153.1379 4532827 48
+  162.1018 1702038 18
+  164.1062 93370080 999
+  166.097 1204197.6 12
+  167.1162 974869 10
+  170.091 1218770.4 13
+  171.0754 2618911.8 28
+  179.1284 1451132.5 15
+  180.1125 1575093.2 16
+  181.0956 3726777.5 39
+  181.1325 9265074 99
+  182.0919 1800169.1 19
+  192.0992 4217875 45
+  195.1234 2142329 22
+  199.0704 5077611.5 54
+  208.1074 1428573 15
+  214.1066 1137326.4 12
+  223.1181 5377306 57
+  240.1439 1572880.1 16
+  241.1284 1553646 16
+//
diff --git a/Eawag/MSBNK-EAWAG-ED060508.txt b/Eawag/MSBNK-EAWAG-ED060508.txt
new file mode 100644
index 0000000000..37156f08ca
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED060508.txt
@@ -0,0 +1,158 @@
+ACCESSION: MSBNK-EAWAG-ED060508
+RECORD_TITLE: Micropeptin K139; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.aquatox.2023.106689
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 605
+CH$NAME: Micropeptin K139
+CH$NAME: (R)-4-(((1R,2R,5S,8S,11R,12S,15S,18S,21R)-2-((R)-sec-butyl)-8-((S)-sec-butyl)-15-(3-guanidinopropyl)-21-hydroxy-5-(4-hydroxybenzyl)-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-hexanamido-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C47H74N10O13
+CH$EXACT_MASS: 986.5436824
+CH$SMILES: O=C([C@@H](NC([C@H](NC(CCCCC)=O)CC(O)=O)=O)[C@@H](C)OC1=O)N[C@H](C(N[C@@H]2C([N@@]([C@@H](CC2)O)[C@H]([C@H](C)CC)C(N(C)[C@@H](CC3=CC=C(C=C3)O)C(N[C@H]1[C@H](CC)C)=O)=O)=O)=O)CCCNC(N)=N
+CH$IUPAC: InChI=1S/C47H74N10O13/c1-8-11-12-15-34(59)51-32(24-36(61)62)41(64)55-38-27(6)70-46(69)37(25(4)9-2)54-42(65)33(23-28-16-18-29(58)19-17-28)56(7)45(68)39(26(5)10-3)57-35(60)21-20-31(44(57)67)53-40(63)30(52-43(38)66)14-13-22-50-47(48)49/h16-19,25-27,30-33,35,37-39,58,60H,8-15,20-24H2,1-7H3,(H,51,59)(H,52,66)(H,53,63)(H,54,65)(H,55,64)(H,61,62)(H4,48,49,50)/t25-,26+,27+,30-,31-,32+,33-,35+,37-,38-,39+/m0/s1
+CH$LINK: PUBCHEM CID:101096212
+CH$LINK: INCHIKEY ROTFFYYCARWRHQ-WNRHWPMLSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 102-1028
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.945 min
+MS$FOCUSED_ION: BASE_PEAK 987.5482
+MS$FOCUSED_ION: PRECURSOR_M/Z 987.551
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03di-0900000000-7af423819618f1d0d1bc
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  105.0698 C8H9+ 1 105.0699 -0.59
+  106.0649 C7H8N+ 1 106.0651 -2.36
+  108.0567 C7H8O+ 1 108.057 -2.47
+  108.0806 C7H10N+ 1 108.0808 -1.32
+  110.06 C6H8NO+ 1 110.06 -0.04
+  111.055 C5H7N2O+ 1 111.0553 -2.56
+  111.0915 C6H11N2+ 1 111.0917 -1.74
+  112.039 C5H6NO2+ 1 112.0393 -3.08
+  112.0867 C5H10N3+ 1 112.0869 -2.09
+  112.1121 C7H14N+ 1 112.1121 -0.04
+  113.0707 C5H9N2O+ 1 113.0709 -2.35
+  114.0546 C5H8NO2+ 1 114.055 -3.28
+  114.1022 C5H12N3+ 1 114.1026 -3.52
+  115.0863 C5H11N2O+ 1 115.0866 -2.18
+  117.0571 C8H7N+ 1 117.0573 -1.82
+  120.0806 C8H10N+ 1 120.0808 -1.69
+  121.0646 C8H9O+ 1 121.0648 -1.87
+  123.0803 C8H11O+ 1 123.0804 -1.46
+  124.1116 C8H14N+ 1 124.1121 -3.63
+  125.0706 C6H9N2O+ 1 125.0709 -3.11
+  127.0976 C5H11N4+ 1 127.0978 -1.97
+  132.0804 C9H10N+ 1 132.0808 -2.48
+  133.088 C9H11N+ 1 133.0886 -4.18
+  134.0597 C8H8NO+ 1 134.06 -2.4
+  135.0801 C9H11O+ 1 135.0804 -2.66
+  135.0913 C8H11N2+ 1 135.0917 -2.46
+  136.0389 C7H6NO2+ 1 136.0393 -3.14
+  136.1117 C9H14N+ 1 136.1121 -2.49
+  137.0707 C7H9N2O+ 1 137.0709 -1.65
+  137.1071 C8H13N2+ 1 137.1073 -1.71
+  138.066 C6H8N3O+ 1 138.0662 -1.18
+  138.0909 C8H12NO+ 1 138.0913 -3.44
+  140.0813 C6H10N3O+ 1 140.0818 -4.13
+  141.1016 C7H13N2O+ 2 141.1022 -4.62
+  148.075 C9H10NO+ 2 148.0757 -4.67
+  149.0701 C6H7N5+ 1 149.0696 3.23
+  149.0831 C9H11NO+ 1 149.0835 -2.63
+  150.1025 C8H12N3+ 1 150.1026 -0.65
+  152.0811 C5H8N6+ 2 152.0805 3.93
+  153.0656 C7H9N2O2+ 1 153.0659 -1.8
+  153.1016 C8H13N2O+ 2 153.1022 -4.45
+  153.1381 C9H17N2+ 1 153.1386 -3.32
+  157.1078 C6H13N4O+ 3 157.1084 -4.01
+  162.1025 C9H12N3+ 1 162.1026 -0.29
+  163.0852 C7H9N5+ 1 163.0852 -0.21
+  164.1062 C8H12N4+ 2 164.1056 3.63
+  170.0912 C5H10N6O+ 1 170.0911 0.99
+  171.0754 C5H9N5O2+ 1 171.0751 2.07
+  178.0963 C7H10N6+ 1 178.0961 1.02
+  179.1289 C9H15N4+ 1 179.1291 -1
+  180.0756 C6H8N6O+ 1 180.0754 1.26
+  180.1124 C7H12N6+ 2 180.1118 3.58
+  181.0958 C7H11N5O+ 1 181.0958 0.11
+  181.1327 C8H15N5+ 2 181.1322 2.67
+  182.0918 C6H10N6O+ 2 182.0911 4.28
+  188.1059 C10H12N4+ 1 188.1056 1.26
+  205.1319 C10H15N5+ 1 205.1322 -1.5
+  223.1179 C9H19O6+ 3 223.1176 1.43
+PK$NUM_PEAK: 58
+PK$PEAK: m/z int. rel.int.
+  105.0698 2190959.8 30
+  106.0649 1240699 17
+  108.0567 3611259.5 50
+  108.0806 1500770.6 20
+  110.06 1561124.2 21
+  111.055 5729535 79
+  111.0915 1029353.2 14
+  112.039 925144.8 12
+  112.0867 12979950 180
+  112.1121 1604342.8 22
+  113.0707 9366546 130
+  114.0546 2751240 38
+  114.1022 889769.1 12
+  115.0863 6767999 94
+  117.0571 3052788.8 42
+  120.0806 1477248.6 20
+  121.0646 15968784 221
+  123.0803 3205649.2 44
+  124.1116 4787471.5 66
+  125.0706 5801253.5 80
+  127.0976 773904.1 10
+  132.0804 6759485 93
+  133.088 3009564.5 41
+  134.0597 2801817 38
+  135.0801 8467341 117
+  135.0913 919132.2 12
+  136.0389 2815291 39
+  136.1117 8192124.5 113
+  137.0707 1106492.2 15
+  137.1071 779589.4 10
+  138.066 5359906 74
+  138.0909 2142498.5 29
+  140.0813 1671784.2 23
+  141.1016 2059689 28
+  148.075 1044331.4 14
+  149.0701 5121930 71
+  149.0831 11643240 161
+  150.1025 2891617 40
+  152.0811 1106532.2 15
+  153.0656 4646871.5 64
+  153.1016 2294618 31
+  153.1381 2362775.8 32
+  157.1078 925487 12
+  162.1025 1296926.9 18
+  163.0852 772379.6 10
+  164.1062 71877608 999
+  170.0912 789871.8 10
+  171.0754 1393181.4 19
+  178.0963 1644008 22
+  179.1289 817811.1 11
+  180.0756 1096329.4 15
+  180.1124 1264801.2 17
+  181.0958 2471573.2 34
+  181.1327 2361213.8 32
+  182.0918 1237876.6 17
+  188.1059 1199431.9 16
+  205.1319 843107.8 11
+  223.1179 1946844.1 27
+//
diff --git a/Eawag/MSBNK-EAWAG-ED060509.txt b/Eawag/MSBNK-EAWAG-ED060509.txt
new file mode 100644
index 0000000000..8a98a989a1
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED060509.txt
@@ -0,0 +1,114 @@
+ACCESSION: MSBNK-EAWAG-ED060509
+RECORD_TITLE: Micropeptin K139; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.aquatox.2023.106689
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 605
+CH$NAME: Micropeptin K139
+CH$NAME: (R)-4-(((1R,2R,5S,8S,11R,12S,15S,18S,21R)-2-((R)-sec-butyl)-8-((S)-sec-butyl)-15-(3-guanidinopropyl)-21-hydroxy-5-(4-hydroxybenzyl)-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-hexanamido-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C47H74N10O13
+CH$EXACT_MASS: 986.5436824
+CH$SMILES: O=C([C@@H](NC([C@H](NC(CCCCC)=O)CC(O)=O)=O)[C@@H](C)OC1=O)N[C@H](C(N[C@@H]2C([N@@]([C@@H](CC2)O)[C@H]([C@H](C)CC)C(N(C)[C@@H](CC3=CC=C(C=C3)O)C(N[C@H]1[C@H](CC)C)=O)=O)=O)=O)CCCNC(N)=N
+CH$IUPAC: InChI=1S/C47H74N10O13/c1-8-11-12-15-34(59)51-32(24-36(61)62)41(64)55-38-27(6)70-46(69)37(25(4)9-2)54-42(65)33(23-28-16-18-29(58)19-17-28)56(7)45(68)39(26(5)10-3)57-35(60)21-20-31(44(57)67)53-40(63)30(52-43(38)66)14-13-22-50-47(48)49/h16-19,25-27,30-33,35,37-39,58,60H,8-15,20-24H2,1-7H3,(H,51,59)(H,52,66)(H,53,63)(H,54,65)(H,55,64)(H,61,62)(H4,48,49,50)/t25-,26+,27+,30-,31-,32+,33-,35+,37-,38-,39+/m0/s1
+CH$LINK: PUBCHEM CID:101096212
+CH$LINK: INCHIKEY ROTFFYYCARWRHQ-WNRHWPMLSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 102-1028
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.945 min
+MS$FOCUSED_ION: BASE_PEAK 987.5482
+MS$FOCUSED_ION: PRECURSOR_M/Z 987.551
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03di-0900000000-21ba826c254c50d72102
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  105.0696 C8H9+ 1 105.0699 -2.33
+  106.0648 C7H8N+ 1 106.0651 -3.36
+  108.0568 C7H8O+ 1 108.057 -1.97
+  108.0808 C7H10N+ 1 108.0808 0.51
+  110.06 C6H8NO+ 1 110.06 -0.04
+  110.0711 C5H8N3+ 1 110.0713 -2.01
+  111.055 C5H7N2O+ 1 111.0553 -2.35
+  112.0866 C5H10N3+ 1 112.0869 -2.77
+  113.0706 C5H9N2O+ 1 113.0709 -2.89
+  114.0548 C5H8NO2+ 1 114.055 -1.14
+  114.1022 C5H12N3+ 1 114.1026 -3.58
+  115.0864 C5H11N2O+ 1 115.0866 -1.71
+  117.0571 C8H7N+ 1 117.0573 -1.49
+  120.0802 C8H10N+ 1 120.0808 -4.55
+  121.0645 C8H9O+ 1 121.0648 -2
+  124.1119 C8H14N+ 1 124.1121 -1.11
+  125.0705 C6H9N2O+ 1 125.0709 -3.29
+  129.0657 C5H9N2O2+ 1 129.0659 -0.84
+  132.0804 C9H10N+ 1 132.0808 -2.94
+  133.0882 C9H11N+ 1 133.0886 -3.15
+  134.0597 C8H8NO+ 1 134.06 -2.62
+  135.0799 C9H11O+ 1 135.0804 -4.13
+  135.0914 C8H11N2+ 1 135.0917 -1.89
+  136.0388 C7H6NO2+ 1 136.0393 -3.82
+  136.1116 C9H14N+ 1 136.1121 -3.39
+  137.0707 C7H9N2O+ 1 137.0709 -1.53
+  138.066 C6H8N3O+ 1 138.0662 -1.63
+  140.0814 C6H10N3O+ 1 140.0818 -3.47
+  141.0657 C6H9N2O2+ 1 141.0659 -1.31
+  141.1019 C7H13N2O+ 1 141.1022 -2.13
+  148.0753 C9H10NO+ 1 148.0757 -2.4
+  149.0701 C6H7N5+ 1 149.0696 3.33
+  149.0833 C9H11NO+ 1 149.0835 -1.4
+  150.102 C8H12N3+ 1 150.1026 -4
+  164.1062 C8H12N4+ 2 164.1056 3.63
+  181.0965 C7H11N5O+ 2 181.0958 3.65
+PK$NUM_PEAK: 36
+PK$PEAK: m/z int. rel.int.
+  105.0696 3032860.5 65
+  106.0648 2227993 48
+  108.0568 4585160 98
+  108.0808 1839643.9 39
+  110.06 2217331.5 47
+  110.0711 1438752.6 31
+  111.055 5218790.5 112
+  112.0866 10734859 231
+  113.0706 5617103 121
+  114.0548 2859326.8 61
+  114.1022 756777.8 16
+  115.0864 5278946.5 113
+  117.0571 4430105.5 95
+  120.0802 2462801.8 53
+  121.0645 18241862 393
+  124.1119 2594882.8 55
+  125.0705 5931746.5 127
+  129.0657 2179290 47
+  132.0804 7854350 169
+  133.0882 5392379 116
+  134.0597 6261920.5 135
+  135.0799 8792716 189
+  135.0914 1090044.1 23
+  136.0388 2625264.8 56
+  136.1116 6530120 140
+  137.0707 1032481 22
+  138.066 3942826.5 85
+  140.0814 1432827.4 30
+  141.0657 1681611.4 36
+  141.1019 1318222.4 28
+  148.0753 1318164.6 28
+  149.0701 5014999.5 108
+  149.0833 18160984 391
+  150.102 2621600.5 56
+  164.1062 46314324 999
+  181.0965 1746201.1 37
+//
diff --git a/Eawag/MSBNK-EAWAG-ED060551.txt b/Eawag/MSBNK-EAWAG-ED060551.txt
new file mode 100644
index 0000000000..c68deb0d57
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED060551.txt
@@ -0,0 +1,48 @@
+ACCESSION: MSBNK-EAWAG-ED060551
+RECORD_TITLE: Micropeptin K139; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.aquatox.2023.106689
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 605
+CH$NAME: Micropeptin K139
+CH$NAME: (R)-4-(((1R,2R,5S,8S,11R,12S,15S,18S,21R)-2-((R)-sec-butyl)-8-((S)-sec-butyl)-15-(3-guanidinopropyl)-21-hydroxy-5-(4-hydroxybenzyl)-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-hexanamido-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C47H74N10O13
+CH$EXACT_MASS: 986.5436824
+CH$SMILES: O=C([C@@H](NC([C@H](NC(CCCCC)=O)CC(O)=O)=O)[C@@H](C)OC1=O)N[C@H](C(N[C@@H]2C([N@@]([C@@H](CC2)O)[C@H]([C@H](C)CC)C(N(C)[C@@H](CC3=CC=C(C=C3)O)C(N[C@H]1[C@H](CC)C)=O)=O)=O)=O)CCCNC(N)=N
+CH$IUPAC: InChI=1S/C47H74N10O13/c1-8-11-12-15-34(59)51-32(24-36(61)62)41(64)55-38-27(6)70-46(69)37(25(4)9-2)54-42(65)33(23-28-16-18-29(58)19-17-28)56(7)45(68)39(26(5)10-3)57-35(60)21-20-31(44(57)67)53-40(63)30(52-43(38)66)14-13-22-50-47(48)49/h16-19,25-27,30-33,35,37-39,58,60H,8-15,20-24H2,1-7H3,(H,51,59)(H,52,66)(H,53,63)(H,54,65)(H,55,64)(H,61,62)(H4,48,49,50)/t25-,26+,27+,30-,31-,32+,33-,35+,37-,38-,39+/m0/s1
+CH$LINK: PUBCHEM CID:101096212
+CH$LINK: INCHIKEY ROTFFYYCARWRHQ-WNRHWPMLSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 102-1026
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.933 min
+MS$FOCUSED_ION: BASE_PEAK 985.5368
+MS$FOCUSED_ION: PRECURSOR_M/Z 985.5364
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-000i-0000000009-d79e9d918565279a554c
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  708.4059 C34H56N6O10- 10 708.4063 -0.67
+  967.526 C47H71N10O12- 1 967.5258 0.18
+  985.5371 C47H73N10O13- 1 985.5364 0.67
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  708.4059 2753375 15
+  967.526 10622595 59
+  985.5371 179280416 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED060552.txt b/Eawag/MSBNK-EAWAG-ED060552.txt
new file mode 100644
index 0000000000..c654b3092f
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED060552.txt
@@ -0,0 +1,60 @@
+ACCESSION: MSBNK-EAWAG-ED060552
+RECORD_TITLE: Micropeptin K139; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.aquatox.2023.106689
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 605
+CH$NAME: Micropeptin K139
+CH$NAME: (R)-4-(((1R,2R,5S,8S,11R,12S,15S,18S,21R)-2-((R)-sec-butyl)-8-((S)-sec-butyl)-15-(3-guanidinopropyl)-21-hydroxy-5-(4-hydroxybenzyl)-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-hexanamido-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C47H74N10O13
+CH$EXACT_MASS: 986.5436824
+CH$SMILES: O=C([C@@H](NC([C@H](NC(CCCCC)=O)CC(O)=O)=O)[C@@H](C)OC1=O)N[C@H](C(N[C@@H]2C([N@@]([C@@H](CC2)O)[C@H]([C@H](C)CC)C(N(C)[C@@H](CC3=CC=C(C=C3)O)C(N[C@H]1[C@H](CC)C)=O)=O)=O)=O)CCCNC(N)=N
+CH$IUPAC: InChI=1S/C47H74N10O13/c1-8-11-12-15-34(59)51-32(24-36(61)62)41(64)55-38-27(6)70-46(69)37(25(4)9-2)54-42(65)33(23-28-16-18-29(58)19-17-28)56(7)45(68)39(26(5)10-3)57-35(60)21-20-31(44(57)67)53-40(63)30(52-43(38)66)14-13-22-50-47(48)49/h16-19,25-27,30-33,35,37-39,58,60H,8-15,20-24H2,1-7H3,(H,51,59)(H,52,66)(H,53,63)(H,54,65)(H,55,64)(H,61,62)(H4,48,49,50)/t25-,26+,27+,30-,31-,32+,33-,35+,37-,38-,39+/m0/s1
+CH$LINK: PUBCHEM CID:101096212
+CH$LINK: INCHIKEY ROTFFYYCARWRHQ-WNRHWPMLSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 102-1026
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.933 min
+MS$FOCUSED_ION: BASE_PEAK 985.5368
+MS$FOCUSED_ION: PRECURSOR_M/Z 985.5364
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-000i-0000000009-343c3181260781c06fc2
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  531.2678 C38H33N3- 9 531.268 -0.29
+  549.2789 C24H37N8O7- 8 549.2791 -0.34
+  664.3795 C46H50NO3- 10 664.3796 -0.25
+  708.4057 C34H56N6O10- 11 708.4063 -0.92
+  764.4101 C40H56N6O9- 7 764.4114 -1.68
+  772.436 C37H58N9O9- 7 772.4363 -0.35
+  852.4261 C41H58N9O11- 5 852.4261 0.02
+  967.5259 C47H71N10O12- 1 967.5258 0.05
+  985.5365 C47H73N10O13- 1 985.5364 0.05
+PK$NUM_PEAK: 9
+PK$PEAK: m/z int. rel.int.
+  531.2678 2907497 29
+  549.2789 9885300 101
+  664.3795 5637859.5 57
+  708.4057 2592975.2 26
+  764.4101 3186266.5 32
+  772.436 2718746.8 27
+  852.4261 10105850 103
+  967.5259 45852384 470
+  985.5365 97448384 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED060553.txt b/Eawag/MSBNK-EAWAG-ED060553.txt
new file mode 100644
index 0000000000..999c14cb17
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED060553.txt
@@ -0,0 +1,76 @@
+ACCESSION: MSBNK-EAWAG-ED060553
+RECORD_TITLE: Micropeptin K139; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.aquatox.2023.106689
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 605
+CH$NAME: Micropeptin K139
+CH$NAME: (R)-4-(((1R,2R,5S,8S,11R,12S,15S,18S,21R)-2-((R)-sec-butyl)-8-((S)-sec-butyl)-15-(3-guanidinopropyl)-21-hydroxy-5-(4-hydroxybenzyl)-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-hexanamido-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C47H74N10O13
+CH$EXACT_MASS: 986.5436824
+CH$SMILES: O=C([C@@H](NC([C@H](NC(CCCCC)=O)CC(O)=O)=O)[C@@H](C)OC1=O)N[C@H](C(N[C@@H]2C([N@@]([C@@H](CC2)O)[C@H]([C@H](C)CC)C(N(C)[C@@H](CC3=CC=C(C=C3)O)C(N[C@H]1[C@H](CC)C)=O)=O)=O)=O)CCCNC(N)=N
+CH$IUPAC: InChI=1S/C47H74N10O13/c1-8-11-12-15-34(59)51-32(24-36(61)62)41(64)55-38-27(6)70-46(69)37(25(4)9-2)54-42(65)33(23-28-16-18-29(58)19-17-28)56(7)45(68)39(26(5)10-3)57-35(60)21-20-31(44(57)67)53-40(63)30(52-43(38)66)14-13-22-50-47(48)49/h16-19,25-27,30-33,35,37-39,58,60H,8-15,20-24H2,1-7H3,(H,51,59)(H,52,66)(H,53,63)(H,54,65)(H,55,64)(H,61,62)(H4,48,49,50)/t25-,26+,27+,30-,31-,32+,33-,35+,37-,38-,39+/m0/s1
+CH$LINK: PUBCHEM CID:101096212
+CH$LINK: INCHIKEY ROTFFYYCARWRHQ-WNRHWPMLSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 102-1026
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.933 min
+MS$FOCUSED_ION: BASE_PEAK 985.5368
+MS$FOCUSED_ION: PRECURSOR_M/Z 985.5364
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0gb9-0000020159-10f350432cdd229c17ee
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  379.1711 C13H25N5O8- 6 379.1709 0.51
+  507.2564 C35H31N4- 9 507.2554 1.84
+  531.268 C38H33N3- 9 531.268 -0.06
+  549.2788 C24H37N8O7- 8 549.2791 -0.45
+  664.3792 C46H50NO3- 11 664.3796 -0.62
+  689.3996 C34H59NO13- 9 689.3992 0.63
+  755.409 C36H59N4O13- 9 755.4084 0.74
+  764.4104 C40H56N6O9- 9 764.4114 -1.37
+  772.4362 C37H58N9O9- 7 772.4363 -0.12
+  810.4038 C40H56N7O11- 6 810.4043 -0.61
+  835.3987 C41H55N8O11- 5 835.3996 -1.02
+  852.4261 C41H58N9O11- 5 852.4261 0.02
+  853.4288 C47H59N5O10- 2 853.4267 2.45
+  925.5033 C46H69N8O12- 1 925.504 -0.82
+  950.4988 C47H68N9O12- 1 950.4993 -0.54
+  967.5258 C47H71N10O12- 1 967.5258 -0.01
+  985.5361 C47H73N10O13- 1 985.5364 -0.32
+PK$NUM_PEAK: 17
+PK$PEAK: m/z int. rel.int.
+  379.1711 876981.7 16
+  507.2564 910148.7 16
+  531.268 5519409.5 101
+  549.2788 18054032 332
+  664.3792 1724501.4 31
+  689.3996 1404569.1 25
+  755.409 610943.1 11
+  764.4104 5041945 92
+  772.4362 6599721 121
+  810.4038 730042.2 13
+  835.3987 1237487.9 22
+  852.4261 40521316 746
+  853.4288 2685416.5 49
+  925.5033 1071064.2 19
+  950.4988 1279927.8 23
+  967.5258 54245500 999
+  985.5361 22017346 405
+//
diff --git a/Eawag/MSBNK-EAWAG-ED060554.txt b/Eawag/MSBNK-EAWAG-ED060554.txt
new file mode 100644
index 0000000000..b7de8452a9
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED060554.txt
@@ -0,0 +1,86 @@
+ACCESSION: MSBNK-EAWAG-ED060554
+RECORD_TITLE: Micropeptin K139; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.aquatox.2023.106689
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 605
+CH$NAME: Micropeptin K139
+CH$NAME: (R)-4-(((1R,2R,5S,8S,11R,12S,15S,18S,21R)-2-((R)-sec-butyl)-8-((S)-sec-butyl)-15-(3-guanidinopropyl)-21-hydroxy-5-(4-hydroxybenzyl)-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-hexanamido-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C47H74N10O13
+CH$EXACT_MASS: 986.5436824
+CH$SMILES: O=C([C@@H](NC([C@H](NC(CCCCC)=O)CC(O)=O)=O)[C@@H](C)OC1=O)N[C@H](C(N[C@@H]2C([N@@]([C@@H](CC2)O)[C@H]([C@H](C)CC)C(N(C)[C@@H](CC3=CC=C(C=C3)O)C(N[C@H]1[C@H](CC)C)=O)=O)=O)=O)CCCNC(N)=N
+CH$IUPAC: InChI=1S/C47H74N10O13/c1-8-11-12-15-34(59)51-32(24-36(61)62)41(64)55-38-27(6)70-46(69)37(25(4)9-2)54-42(65)33(23-28-16-18-29(58)19-17-28)56(7)45(68)39(26(5)10-3)57-35(60)21-20-31(44(57)67)53-40(63)30(52-43(38)66)14-13-22-50-47(48)49/h16-19,25-27,30-33,35,37-39,58,60H,8-15,20-24H2,1-7H3,(H,51,59)(H,52,66)(H,53,63)(H,54,65)(H,55,64)(H,61,62)(H4,48,49,50)/t25-,26+,27+,30-,31-,32+,33-,35+,37-,38-,39+/m0/s1
+CH$LINK: PUBCHEM CID:101096212
+CH$LINK: INCHIKEY ROTFFYYCARWRHQ-WNRHWPMLSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 102-1026
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.933 min
+MS$FOCUSED_ION: BASE_PEAK 985.5368
+MS$FOCUSED_ION: PRECURSOR_M/Z 985.5364
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0udi-0000010192-3321ca6b35ad0caf3f77
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  179.0453 C6H5N5O2- 1 179.0449 2.38
+  221.0672 C8H13O7- 3 221.0667 2.21
+  379.1713 C13H25N5O8- 6 379.1709 1.16
+  387.1814 C22H27O6- 9 387.1813 0.21
+  431.1678 C33H21N- 7 431.1679 -0.27
+  452.2591 C31H34NO2- 8 452.2595 -0.78
+  507.2565 C35H31N4- 9 507.2554 2.2
+  515.287 C27H39N4O6- 9 515.2875 -0.92
+  531.2681 C38H33N3- 8 531.268 0.17
+  672.3724 C30H52N6O11- 12 672.37 3.7
+  689.3994 C34H59NO13- 11 689.3992 0.27
+  755.4088 C36H59N4O13- 9 755.4084 0.5
+  764.4099 C40H56N6O9- 7 764.4114 -2
+  772.4364 C37H58N9O9- 7 772.4363 0.12
+  810.4041 C40H56N7O11- 6 810.4043 -0.31
+  835.399 C41H55N8O11- 5 835.3996 -0.73
+  852.4261 C41H58N9O11- 5 852.4261 0.02
+  853.4293 C47H59N5O10- 2 853.4267 2.95
+  925.5012 C46H69N8O12- 1 925.504 -3.06
+  950.4974 C47H68N9O12- 1 950.4993 -1.95
+  967.5256 C47H71N10O12- 1 967.5258 -0.27
+  985.5358 C47H73N10O13- 1 985.5364 -0.57
+PK$NUM_PEAK: 22
+PK$PEAK: m/z int. rel.int.
+  179.0453 1311413.2 23
+  221.0672 788300.2 13
+  379.1713 1935735.8 34
+  387.1814 637727.9 11
+  431.1678 799461.6 14
+  452.2591 771893.4 13
+  507.2565 2186304.5 38
+  515.287 2382141.5 42
+  531.2681 4461351.5 78
+  672.3724 895953.6 15
+  689.3994 5071773.5 89
+  755.4088 1701937.9 30
+  764.4099 3129575.5 55
+  772.4364 8217343.5 144
+  810.4041 3760652.2 66
+  835.399 5881516 103
+  852.4261 56617384 999
+  853.4293 3689152.8 65
+  925.5012 909704.4 16
+  950.4974 918645.8 16
+  967.5256 14748202 260
+  985.5358 2665521 47
+//
diff --git a/Eawag/MSBNK-EAWAG-ED060555.txt b/Eawag/MSBNK-EAWAG-ED060555.txt
new file mode 100644
index 0000000000..ea409b547a
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED060555.txt
@@ -0,0 +1,204 @@
+ACCESSION: MSBNK-EAWAG-ED060555
+RECORD_TITLE: Micropeptin K139; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.aquatox.2023.106689
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 605
+CH$NAME: Micropeptin K139
+CH$NAME: (R)-4-(((1R,2R,5S,8S,11R,12S,15S,18S,21R)-2-((R)-sec-butyl)-8-((S)-sec-butyl)-15-(3-guanidinopropyl)-21-hydroxy-5-(4-hydroxybenzyl)-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-hexanamido-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C47H74N10O13
+CH$EXACT_MASS: 986.5436824
+CH$SMILES: O=C([C@@H](NC([C@H](NC(CCCCC)=O)CC(O)=O)=O)[C@@H](C)OC1=O)N[C@H](C(N[C@@H]2C([N@@]([C@@H](CC2)O)[C@H]([C@H](C)CC)C(N(C)[C@@H](CC3=CC=C(C=C3)O)C(N[C@H]1[C@H](CC)C)=O)=O)=O)=O)CCCNC(N)=N
+CH$IUPAC: InChI=1S/C47H74N10O13/c1-8-11-12-15-34(59)51-32(24-36(61)62)41(64)55-38-27(6)70-46(69)37(25(4)9-2)54-42(65)33(23-28-16-18-29(58)19-17-28)56(7)45(68)39(26(5)10-3)57-35(60)21-20-31(44(57)67)53-40(63)30(52-43(38)66)14-13-22-50-47(48)49/h16-19,25-27,30-33,35,37-39,58,60H,8-15,20-24H2,1-7H3,(H,51,59)(H,52,66)(H,53,63)(H,54,65)(H,55,64)(H,61,62)(H4,48,49,50)/t25-,26+,27+,30-,31-,32+,33-,35+,37-,38-,39+/m0/s1
+CH$LINK: PUBCHEM CID:101096212
+CH$LINK: INCHIKEY ROTFFYYCARWRHQ-WNRHWPMLSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 102-1026
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.933 min
+MS$FOCUSED_ION: BASE_PEAK 985.5368
+MS$FOCUSED_ION: PRECURSOR_M/Z 985.5364
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0670-0934012010-f39cc8f2869d5781fbeb
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  106.0421 C7H6O- 1 106.0424 -2.56
+  109.0405 C5H5N2O- 1 109.0407 -1.76
+  110.0244 C5H4NO2- 1 110.0248 -3.38
+  111.0563 C5H7N2O- 1 111.0564 -0.47
+  113.0353 C4H5N2O2- 1 113.0357 -3.5
+  114.0196 C4H4NO3- 1 114.0197 -1.02
+  114.0924 C6H12NO- 1 114.0924 -0.43
+  116.0716 C5H10NO2- 1 116.0717 -1.14
+  122.0607 C7H8NO- 1 122.0611 -3.56
+  123.0448 C7H7O2- 1 123.0452 -3.03
+  123.0563 C6H7N2O- 1 123.0564 -0.95
+  124.04 C6H6NO2- 1 124.0404 -3.53
+  124.0513 C5H6N3O- 1 124.0516 -2.81
+  125.0355 C5H5N2O2- 1 125.0357 -1.1
+  130.0873 C6H12NO2- 1 130.0874 -0.2
+  130.0981 C5H12N3O- 1 130.0986 -3.63
+  135.0561 C7H7N2O- 1 135.0564 -2.36
+  136.0399 C7H6NO2- 1 136.0404 -3.72
+  136.0511 C6H6N3O- 1 136.0516 -4.3
+  136.0765 C8H10NO- 1 136.0768 -2.33
+  137.1079 C8H13N2- 1 137.1084 -3.75
+  138.0305 C5H4N3O2- 1 138.0309 -3.19
+  138.0556 C7H8NO2- 1 138.0561 -3.46
+  138.067 C6H8N3O- 1 138.0673 -2.26
+  140.0349 C6H6NO3- 1 140.0353 -3.23
+  140.0712 C7H10NO2- 1 140.0717 -3.62
+  140.0826 C6H10N3O- 1 140.0829 -2.23
+  141.1029 C7H13N2O- 1 141.1033 -3.27
+  142.0505 C6H8NO3- 1 142.051 -3.2
+  143.1186 C7H15N2O- 1 143.119 -2.92
+  149.0238 C6H3N3O2- 2 149.0231 4.81
+  152.0339 C5H4N4O2- 1 152.034 -0.36
+  152.0835 C7H10N3O- 2 152.0829 3.87
+  153.0668 C7H9N2O2- 1 153.067 -0.96
+  153.1023 C6H11N5- 1 153.102 2.27
+  156.0774 C6H10N3O2- 1 156.0779 -2.75
+  163.0503 C6H5N5O- 1 163.05 2.16
+  164.0343 C6H4N4O2- 1 164.034 2.23
+  165.1025 C9H13N2O- 2 165.1033 -4.84
+  166.0977 C6H10N6- 1 166.0972 2.8
+  167.0813 C6H9N5O- 1 167.0813 0.31
+  169.0974 C6H11N5O- 2 169.0969 2.95
+  170.0921 C5H10N6O- 1 170.0922 -0.22
+  172.1198 C6H14N5O- 3 172.1204 -3.4
+  178.0622 C8H8N3O2- 1 178.0622 -0.22
+  179.0454 C6H5N5O2- 2 179.0449 2.81
+  181.0965 C7H11N5O- 1 181.0969 -2.21
+  185.1285 C7H15N5O- 1 185.1282 1.68
+  195.0884 C8H11N4O2- 1 195.0887 -1.61
+  198.0987 C6H16NO6- 3 198.0983 1.79
+  198.1239 C7H14N6O- 2 198.1235 2.25
+  200.1396 C7H16N6O- 2 200.1391 2.29
+  209.0921 C8H11N5O2- 1 209.0918 1.11
+  212.1138 C6H12N8O- 2 212.114 -0.64
+  212.1396 C8H16N6O- 2 212.1391 2.14
+  221.0671 C8H13O7- 3 221.0667 2.14
+  226.1188 C8H14N6O2- 2 226.1184 1.77
+  232.1075 C10H12N6O- 3 232.1078 -1.24
+  232.1335 C14H18NO2- 2 232.1343 -3.5
+  234.0873 C9H10N6O2- 2 234.0871 0.88
+  236.1398 C12H18N3O2- 2 236.1405 -2.59
+  237.123 C10H15N5O2- 1 237.1231 -0.41
+  238.1554 C12H20N3O2- 2 238.1561 -3.09
+  251.1138 C10H19O7- 3 251.1136 0.56
+  276.1243 C15H18NO4- 3 276.1241 0.76
+  285.1604 C2H27N3O12- 6 285.16 1.39
+  303.1709 C2H29N3O13- 5 303.1706 1.04
+  307.1656 H23N10O9- 4 307.1655 0.48
+  337.1512 C15H21N4O5- 4 337.1517 -1.54
+  339.2147 C15H27N6O3- 4 339.215 -1.06
+  356.2392 C13H28N10O2- 7 356.2402 -2.79
+  379.1715 C13H25N5O8- 4 379.1709 1.64
+  412.266 C16H32N10O3- 6 412.2664 -1.01
+  420.2499 C21H28N10- 6 420.2504 -1.18
+  507.2567 C35H31N4- 8 507.2554 2.62
+  515.2875 C27H39N4O6- 7 515.2875 0.03
+  672.3718 C30H52N6O11- 11 672.37 2.7
+  689.3998 C34H59NO13- 10 689.3992 0.89
+  755.409 C36H59N4O13- 9 755.4084 0.74
+  810.4048 C40H56N7O11- 6 810.4043 0.59
+  835.3989 C41H55N8O11- 5 835.3996 -0.8
+PK$NUM_PEAK: 81
+PK$PEAK: m/z int. rel.int.
+  106.0421 93611.2 18
+  109.0405 75778.1 14
+  110.0244 578434.6 112
+  111.0563 84671.1 16
+  113.0353 127131.9 24
+  114.0196 75735.5 14
+  114.0924 557860.4 108
+  116.0716 3646552 710
+  122.0607 105823.8 20
+  123.0448 544751.8 106
+  123.0563 191498.7 37
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+  810.4048 1328588.4 258
+  835.3989 1426957.8 278
+//
diff --git a/Eawag/MSBNK-EAWAG-ED060556.txt b/Eawag/MSBNK-EAWAG-ED060556.txt
new file mode 100644
index 0000000000..c54db330b7
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED060556.txt
@@ -0,0 +1,248 @@
+ACCESSION: MSBNK-EAWAG-ED060556
+RECORD_TITLE: Micropeptin K139; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.aquatox.2023.106689
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 605
+CH$NAME: Micropeptin K139
+CH$NAME: (R)-4-(((1R,2R,5S,8S,11R,12S,15S,18S,21R)-2-((R)-sec-butyl)-8-((S)-sec-butyl)-15-(3-guanidinopropyl)-21-hydroxy-5-(4-hydroxybenzyl)-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-hexanamido-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C47H74N10O13
+CH$EXACT_MASS: 986.5436824
+CH$SMILES: O=C([C@@H](NC([C@H](NC(CCCCC)=O)CC(O)=O)=O)[C@@H](C)OC1=O)N[C@H](C(N[C@@H]2C([N@@]([C@@H](CC2)O)[C@H]([C@H](C)CC)C(N(C)[C@@H](CC3=CC=C(C=C3)O)C(N[C@H]1[C@H](CC)C)=O)=O)=O)=O)CCCNC(N)=N
+CH$IUPAC: InChI=1S/C47H74N10O13/c1-8-11-12-15-34(59)51-32(24-36(61)62)41(64)55-38-27(6)70-46(69)37(25(4)9-2)54-42(65)33(23-28-16-18-29(58)19-17-28)56(7)45(68)39(26(5)10-3)57-35(60)21-20-31(44(57)67)53-40(63)30(52-43(38)66)14-13-22-50-47(48)49/h16-19,25-27,30-33,35,37-39,58,60H,8-15,20-24H2,1-7H3,(H,51,59)(H,52,66)(H,53,63)(H,54,65)(H,55,64)(H,61,62)(H4,48,49,50)/t25-,26+,27+,30-,31-,32+,33-,35+,37-,38-,39+/m0/s1
+CH$LINK: PUBCHEM CID:101096212
+CH$LINK: INCHIKEY ROTFFYYCARWRHQ-WNRHWPMLSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 102-1026
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.933 min
+MS$FOCUSED_ION: BASE_PEAK 985.5368
+MS$FOCUSED_ION: PRECURSOR_M/Z 985.5364
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0gb9-0921000000-9b87352c232de6ad2cac
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  106.0423 C7H6O- 1 106.0424 -1.12
+  108.0453 C6H6NO- 1 108.0455 -1.86
+  109.0297 C6H5O2- 1 109.0295 1.83
+  109.0405 C5H5N2O- 1 109.0407 -1.97
+  110.0247 C5H4NO2- 1 110.0248 -0.82
+  110.0357 C4H4N3O- 1 110.036 -2.92
+  111.0197 C4H3N2O2- 1 111.02 -2.46
+  111.0562 C5H7N2O- 1 111.0564 -1.85
+  112.0278 C4H4N2O2- 1 112.0278 -0.54
+  112.04 C5H6NO2- 1 112.0404 -3.36
+  113.0719 C5H9N2O- 1 113.072 -1.35
+  114.0198 C4H4NO3- 1 114.0197 1.39
+  114.0923 C6H12NO- 1 114.0924 -1.17
+  116.0716 C5H10NO2- 1 116.0717 -0.81
+  119.0501 C8H7O- 1 119.0502 -1.47
+  120.0454 C7H6NO- 1 120.0455 -0.73
+  122.0608 C7H8NO- 1 122.0611 -2.44
+  122.0724 C6H8N3- 1 122.0724 0.6
+  123.0449 C7H7O2- 1 123.0452 -1.91
+  123.0563 C6H7N2O- 1 123.0564 -0.95
+  124.0401 C6H6NO2- 1 124.0404 -2.17
+  124.0516 C5H6N3O- 1 124.0516 -0.66
+  125.0356 C5H5N2O2- 1 125.0357 -0.61
+  125.0718 C6H9N2O- 1 125.072 -1.9
+  127.0511 C5H7N2O2- 1 127.0513 -1.87
+  127.0875 C6H11N2O- 1 127.0877 -1.1
+  129.1028 C6H13N2O- 1 129.1033 -4.45
+  130.0869 C6H12NO2- 1 130.0874 -3.6
+  130.0982 C5H12N3O- 1 130.0986 -2.81
+  133.0658 C9H9O- 1 133.0659 -0.81
+  135.0561 C7H7N2O- 1 135.0564 -2.02
+  136.0402 C7H6NO2- 1 136.0404 -1.81
+  136.0516 C6H6N3O- 1 136.0516 -0.27
+  136.0762 C8H10NO- 1 136.0768 -4.68
+  137.0716 C7H9N2O- 1 137.072 -3.02
+  137.1082 C8H13N2- 1 137.1084 -1.64
+  138.0304 C5H4N3O2- 1 138.0309 -3.42
+  138.0554 C7H8NO2- 1 138.0561 -4.67
+  138.0672 C6H8N3O- 1 138.0673 -0.39
+  139.0508 C6H7N2O2- 1 139.0513 -3.57
+  139.0868 C5H9N5- 1 139.0863 3.05
+  140.0351 C6H6NO3- 1 140.0353 -1.82
+  140.0709 C5H8N4O- 1 140.0704 3.78
+  141.0661 C4H7N5O- 1 141.0656 3.83
+  141.1029 C7H13N2O- 1 141.1033 -3.05
+  142.0504 C6H8NO3- 1 142.051 -3.95
+  143.1185 C7H15N2O- 1 143.119 -3.14
+  146.0368 C9H6O2- 1 146.0373 -3.28
+  149.0716 C8H9N2O- 1 149.072 -3.26
+  151.0508 C7H7N2O2- 1 151.0513 -3.28
+  152.0832 C7H10N3O- 1 152.0829 1.66
+  153.0665 C7H9N2O2- 1 153.067 -3.25
+  153.1024 C6H11N5- 1 153.102 2.57
+  154.0982 C7H12N3O- 1 154.0986 -2.53
+  155.0937 C6H11N4O- 1 155.0938 -1.08
+  155.1181 C6H13N5- 1 155.1176 2.62
+  156.0772 C6H10N3O2- 2 156.0779 -4.02
+  161.0347 C6H3N5O- 1 161.0343 2.66
+  161.0595 C8H7N3O- 1 161.0595 0.44
+  165.1027 C9H13N2O- 2 165.1033 -4.01
+  166.0496 C6H6N4O2- 1 166.0496 0.11
+  166.0983 C8H12N3O- 1 166.0986 -1.52
+  167.0805 C6H9N5O- 3 167.0813 -4.34
+  169.0974 C6H11N5O- 1 169.0969 2.86
+  170.0923 C5H10N6O- 1 170.0922 0.59
+  171.1134 C8H15N2O2- 2 171.1139 -3.21
+  172.1195 C6H14N5O- 3 172.1204 -4.99
+  178.0616 C8H8N3O2- 2 178.0622 -3.13
+  179.0454 C6H5N5O2- 2 179.0449 3.15
+  181.097 C7H11N5O- 1 181.0969 0.65
+  182.0916 C6H10N6O- 3 182.0922 -3.01
+  183.113 C7H13N5O- 2 183.1126 2.59
+  187.1198 C7H15N4O2- 1 187.12 -1.37
+  193.1332 C9H15N5- 1 193.1333 -0.25
+  195.0889 C8H11N4O2- 1 195.0887 0.73
+  196.1076 C7H12N6O- 1 196.1078 -0.89
+  198.0986 C6H16NO6- 2 198.0983 1.41
+  198.124 C7H14N6O- 2 198.1235 2.95
+  200.1396 C7H16N6O- 2 200.1391 2.67
+  201.136 C8H17N4O2- 1 201.1357 1.26
+  204.1134 C9H12N6- 2 204.1129 2.67
+  206.1291 C9H14N6- 2 206.1285 2.92
+  208.0954 C8H16O6- 2 208.0952 0.76
+  212.1139 C6H12N8O- 2 212.114 -0.21
+  212.1395 C8H16N6O- 2 212.1391 1.78
+  221.1028 C8H11N7O- 4 221.1031 -1.25
+  226.1186 C8H14N6O2- 2 226.1184 0.96
+  232.1075 C10H12N6O- 3 232.1078 -1.31
+  232.1334 C14H18NO2- 2 232.1343 -3.77
+  237.1233 C10H15N5O2- 2 237.1231 0.82
+  238.1249 C3H14N10O3- 4 238.1256 -2.96
+  238.1554 C12H20N3O2- 2 238.1561 -2.96
+  251.1145 C10H19O7- 3 251.1136 3.48
+  257.1049 H21N2O13- 3 257.1049 -0.04
+  285.16 C2H27N3O12- 7 285.16 0
+  297.1923 C13H29O7- 4 297.1919 1.52
+  303.1709 C2H29N3O13- 5 303.1706 1.04
+  307.166 H23N10O9- 4 307.1655 1.67
+  314.2195 C14H28N5O3- 4 314.2198 -0.9
+  339.2147 C15H27N6O3- 4 339.215 -1.06
+  340.1972 C13H24N8O3- 3 340.1977 -1.42
+  356.2394 C13H28N10O2- 5 356.2402 -2.28
+  420.25 C21H28N10- 6 420.2504 -0.97
+PK$NUM_PEAK: 103
+PK$PEAK: m/z int. rel.int.
+  106.0423 481443 84
+  108.0453 117393 20
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+  112.0278 906689.8 160
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+  113.0719 219746.5 38
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+  114.0923 782511.9 138
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+  133.0658 68774.2 12
+  135.0561 2649284.2 467
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+  136.0762 243184.9 42
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+  137.1082 125452 22
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+  140.0351 280776.7 49
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+  307.166 2320829.5 409
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+  339.2147 349384.7 61
+  340.1972 479055 84
+  356.2394 593975.1 104
+  420.25 254782.2 44
+//
diff --git a/Eawag/MSBNK-EAWAG-ED060557.txt b/Eawag/MSBNK-EAWAG-ED060557.txt
new file mode 100644
index 0000000000..a617d6fc0f
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED060557.txt
@@ -0,0 +1,236 @@
+ACCESSION: MSBNK-EAWAG-ED060557
+RECORD_TITLE: Micropeptin K139; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.aquatox.2023.106689
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 605
+CH$NAME: Micropeptin K139
+CH$NAME: (R)-4-(((1R,2R,5S,8S,11R,12S,15S,18S,21R)-2-((R)-sec-butyl)-8-((S)-sec-butyl)-15-(3-guanidinopropyl)-21-hydroxy-5-(4-hydroxybenzyl)-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-hexanamido-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C47H74N10O13
+CH$EXACT_MASS: 986.5436824
+CH$SMILES: O=C([C@@H](NC([C@H](NC(CCCCC)=O)CC(O)=O)=O)[C@@H](C)OC1=O)N[C@H](C(N[C@@H]2C([N@@]([C@@H](CC2)O)[C@H]([C@H](C)CC)C(N(C)[C@@H](CC3=CC=C(C=C3)O)C(N[C@H]1[C@H](CC)C)=O)=O)=O)=O)CCCNC(N)=N
+CH$IUPAC: InChI=1S/C47H74N10O13/c1-8-11-12-15-34(59)51-32(24-36(61)62)41(64)55-38-27(6)70-46(69)37(25(4)9-2)54-42(65)33(23-28-16-18-29(58)19-17-28)56(7)45(68)39(26(5)10-3)57-35(60)21-20-31(44(57)67)53-40(63)30(52-43(38)66)14-13-22-50-47(48)49/h16-19,25-27,30-33,35,37-39,58,60H,8-15,20-24H2,1-7H3,(H,51,59)(H,52,66)(H,53,63)(H,54,65)(H,55,64)(H,61,62)(H4,48,49,50)/t25-,26+,27+,30-,31-,32+,33-,35+,37-,38-,39+/m0/s1
+CH$LINK: PUBCHEM CID:101096212
+CH$LINK: INCHIKEY ROTFFYYCARWRHQ-WNRHWPMLSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 102-1026
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.933 min
+MS$FOCUSED_ION: BASE_PEAK 985.5368
+MS$FOCUSED_ION: PRECURSOR_M/Z 985.5364
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-014l-0910000000-c86bc4bd8807a6bfbb0b
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  103.0551 C8H7- 1 103.0553 -1.98
+  106.0423 C7H6O- 1 106.0424 -0.62
+  108.0454 C6H6NO- 1 108.0455 -0.59
+  109.0295 C6H5O2- 1 109.0295 -0.2
+  109.0407 C5H5N2O- 1 109.0407 -0.22
+  109.0771 C6H9N2- 1 109.0771 -0.37
+  110.0248 C5H4NO2- 1 110.0248 0.15
+  110.0356 C4H4N3O- 1 110.036 -3.27
+  110.0723 C5H8N3- 1 110.0724 -0.51
+  111.0199 C4H3N2O2- 1 111.02 -1.29
+  111.0562 C5H7N2O- 1 111.0564 -1.57
+  112.0277 C4H4N2O2- 1 112.0278 -1.08
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+//
diff --git a/Eawag/MSBNK-EAWAG-ED060558.txt b/Eawag/MSBNK-EAWAG-ED060558.txt
new file mode 100644
index 0000000000..e4995bfea1
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED060558.txt
@@ -0,0 +1,218 @@
+ACCESSION: MSBNK-EAWAG-ED060558
+RECORD_TITLE: Micropeptin K139; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.aquatox.2023.106689
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 605
+CH$NAME: Micropeptin K139
+CH$NAME: (R)-4-(((1R,2R,5S,8S,11R,12S,15S,18S,21R)-2-((R)-sec-butyl)-8-((S)-sec-butyl)-15-(3-guanidinopropyl)-21-hydroxy-5-(4-hydroxybenzyl)-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-hexanamido-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C47H74N10O13
+CH$EXACT_MASS: 986.5436824
+CH$SMILES: O=C([C@@H](NC([C@H](NC(CCCCC)=O)CC(O)=O)=O)[C@@H](C)OC1=O)N[C@H](C(N[C@@H]2C([N@@]([C@@H](CC2)O)[C@H]([C@H](C)CC)C(N(C)[C@@H](CC3=CC=C(C=C3)O)C(N[C@H]1[C@H](CC)C)=O)=O)=O)=O)CCCNC(N)=N
+CH$IUPAC: InChI=1S/C47H74N10O13/c1-8-11-12-15-34(59)51-32(24-36(61)62)41(64)55-38-27(6)70-46(69)37(25(4)9-2)54-42(65)33(23-28-16-18-29(58)19-17-28)56(7)45(68)39(26(5)10-3)57-35(60)21-20-31(44(57)67)53-40(63)30(52-43(38)66)14-13-22-50-47(48)49/h16-19,25-27,30-33,35,37-39,58,60H,8-15,20-24H2,1-7H3,(H,51,59)(H,52,66)(H,53,63)(H,54,65)(H,55,64)(H,61,62)(H4,48,49,50)/t25-,26+,27+,30-,31-,32+,33-,35+,37-,38-,39+/m0/s1
+CH$LINK: PUBCHEM CID:101096212
+CH$LINK: INCHIKEY ROTFFYYCARWRHQ-WNRHWPMLSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 102-1026
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.933 min
+MS$FOCUSED_ION: BASE_PEAK 985.5368
+MS$FOCUSED_ION: PRECURSOR_M/Z 985.5364
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-02tc-0900000000-d55ce20e1223cdfeb7c7
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
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+  110.0611 C6H8NO- 1 110.0611 -0.76
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+  116.0716 C5H10NO2- 1 116.0717 -1.01
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+  136.0402 C7H6NO2- 1 136.0404 -1.36
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+  136.0763 C8H10NO- 1 136.0768 -3.22
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+  139.0509 C6H7N2O2- 1 139.0513 -2.92
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+  140.0708 C5H8N4O- 1 140.0704 3.13
+  140.0825 C6H10N3O- 1 140.0829 -2.77
+  140.1078 C8H14NO- 1 140.1081 -1.94
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+  144.0453 C9H6NO- 1 144.0455 -1.1
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+  147.0685 C9H9NO- 1 147.069 -3.28
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+  257.1978 C12H25N4O2- 3 257.1983 -1.95
+  295.1407 C13H19N4O4- 3 295.1412 -1.47
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+  206.1291 70785 19
+  212.1399 81796.8 22
+  232.1075 69998.8 19
+  232.1343 133651.1 36
+  257.1978 90679.6 24
+  295.1407 63879.6 17
+//
diff --git a/Eawag/MSBNK-EAWAG-ED060559.txt b/Eawag/MSBNK-EAWAG-ED060559.txt
new file mode 100644
index 0000000000..eac8d18404
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED060559.txt
@@ -0,0 +1,164 @@
+ACCESSION: MSBNK-EAWAG-ED060559
+RECORD_TITLE: Micropeptin K139; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.aquatox.2023.106689
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 605
+CH$NAME: Micropeptin K139
+CH$NAME: (R)-4-(((1R,2R,5S,8S,11R,12S,15S,18S,21R)-2-((R)-sec-butyl)-8-((S)-sec-butyl)-15-(3-guanidinopropyl)-21-hydroxy-5-(4-hydroxybenzyl)-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-hexanamido-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C47H74N10O13
+CH$EXACT_MASS: 986.5436824
+CH$SMILES: O=C([C@@H](NC([C@H](NC(CCCCC)=O)CC(O)=O)=O)[C@@H](C)OC1=O)N[C@H](C(N[C@@H]2C([N@@]([C@@H](CC2)O)[C@H]([C@H](C)CC)C(N(C)[C@@H](CC3=CC=C(C=C3)O)C(N[C@H]1[C@H](CC)C)=O)=O)=O)=O)CCCNC(N)=N
+CH$IUPAC: InChI=1S/C47H74N10O13/c1-8-11-12-15-34(59)51-32(24-36(61)62)41(64)55-38-27(6)70-46(69)37(25(4)9-2)54-42(65)33(23-28-16-18-29(58)19-17-28)56(7)45(68)39(26(5)10-3)57-35(60)21-20-31(44(57)67)53-40(63)30(52-43(38)66)14-13-22-50-47(48)49/h16-19,25-27,30-33,35,37-39,58,60H,8-15,20-24H2,1-7H3,(H,51,59)(H,52,66)(H,53,63)(H,54,65)(H,55,64)(H,61,62)(H4,48,49,50)/t25-,26+,27+,30-,31-,32+,33-,35+,37-,38-,39+/m0/s1
+CH$LINK: PUBCHEM CID:101096212
+CH$LINK: INCHIKEY ROTFFYYCARWRHQ-WNRHWPMLSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 102-1026
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.933 min
+MS$FOCUSED_ION: BASE_PEAK 985.5368
+MS$FOCUSED_ION: PRECURSOR_M/Z 985.5364
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03xu-0900000000-7a79cde6b2d491f457b1
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  106.0424 C7H6O- 1 106.0424 -0.26
+  107.0375 C6H5NO- 1 107.0377 -1.19
+  108.0216 C6H4O2- 1 108.0217 -0.47
+  108.0455 C6H6NO- 1 108.0455 -0.24
+  109.0169 C5H3NO2- 1 109.0169 0.04
+  109.0407 C5H5N2O- 1 109.0407 -0.57
+  110.0246 C5H4NO2- 1 110.0248 -1.3
+  110.0613 C6H8NO- 1 110.0611 1.46
+  111.0198 C4H3N2O2- 1 111.02 -1.63
+  111.0562 C5H7N2O- 1 111.0564 -1.3
+  112.0277 C4H4N2O2- 1 112.0278 -0.88
+  113.0355 C4H5N2O2- 1 113.0357 -1.54
+  113.0718 C5H9N2O- 1 113.072 -1.75
+  114.0923 C6H12NO- 1 114.0924 -1.3
+  116.0716 C5H10NO2- 1 116.0717 -1.21
+  117.0345 C8H5O- 1 117.0346 -0.52
+  118.0422 C8H6O- 1 118.0424 -1.48
+  119.0501 C8H7O- 1 119.0502 -1.47
+  121.0405 C6H5N2O- 1 121.0407 -1.84
+  123.0324 C6H5NO2- 1 123.0326 -1.39
+  123.0453 C7H7O2- 1 123.0452 1.56
+  123.056 C6H7N2O- 1 123.0564 -2.81
+  124.0401 C6H6NO2- 1 124.0404 -2.36
+  124.0515 C5H6N3O- 1 124.0516 -0.78
+  125.0354 C5H5N2O2- 1 125.0357 -2.01
+  125.0717 C6H9N2O- 1 125.072 -2.82
+  125.1081 C7H13N2- 1 125.1084 -2.4
+  126.0922 C7H12NO- 1 126.0924 -1.79
+  127.0875 C6H11N2O- 1 127.0877 -1.58
+  129.1034 C6H13N2O- 1 129.1033 0.75
+  130.0869 C6H12NO2- 1 130.0874 -3.49
+  130.0982 C5H12N3O- 1 130.0986 -3.04
+  133.0403 C7H5N2O- 1 133.0407 -3.06
+  133.0654 C9H9O- 1 133.0659 -3.33
+  134.0484 C7H6N2O- 1 134.0486 -1.06
+  135.0559 C7H7N2O- 1 135.0564 -3.27
+  136.04 C7H6NO2- 1 136.0404 -2.6
+  137.0353 C6H5N2O2- 1 137.0357 -2.62
+  137.0718 C7H9N2O- 1 137.072 -1.8
+  138.0431 C6H6N2O2- 1 138.0435 -2.77
+  139.0507 C6H7N2O2- 1 139.0513 -4.34
+  139.087 C5H9N5- 2 139.0863 4.7
+  140.0825 C6H10N3O- 1 140.0829 -3.43
+  141.0664 C6H9N2O2- 1 141.067 -3.85
+  141.1031 C7H13N2O- 1 141.1033 -1.86
+  143.1185 C7H15N2O- 1 143.119 -3.46
+  144.0448 C9H6NO- 2 144.0455 -4.7
+  145.0292 C9H5O2- 1 145.0295 -1.75
+  146.0369 C9H6O2- 1 146.0373 -3.08
+  146.0607 C9H8NO- 1 146.0611 -3.33
+  147.0686 C9H9NO- 1 147.069 -2.24
+  151.0876 C8H11N2O- 1 151.0877 -0.3
+  153.0663 C7H9N2O2- 2 153.067 -4.05
+  153.1025 C6H11N5- 1 153.102 3.47
+  154.0985 C7H12N3O- 1 154.0986 -0.45
+  156.0773 C6H10N3O2- 2 156.0779 -3.83
+  165.1033 C9H13N2O- 1 165.1033 -0.4
+  169.0973 C6H11N5O- 1 169.0969 2.41
+  170.0926 C5H10N6O- 1 170.0922 2.83
+  187.1194 C7H15N4O2- 3 187.12 -3.73
+  196.1085 C7H12N6O- 2 196.1078 3.47
+PK$NUM_PEAK: 61
+PK$PEAK: m/z int. rel.int.
+  106.0424 498044.9 134
+  107.0375 72206.5 19
+  108.0216 72523.9 19
+  108.0455 178464.5 48
+  109.0169 80557.4 21
+  109.0407 222073.5 59
+  110.0246 512735.6 138
+  110.0613 85387.6 23
+  111.0198 225307.2 60
+  111.0562 134372 36
+  112.0277 3698484.5 999
+  113.0355 295782.6 79
+  113.0718 332997.1 89
+  114.0923 493533.2 133
+  116.0716 2072469.8 559
+  117.0345 357508.2 96
+  118.0422 333210.3 90
+  119.0501 617307.6 166
+  121.0405 63644.1 17
+  123.0324 124986.3 33
+  123.0453 49495.1 13
+  123.056 177266.4 47
+  124.0401 171415.5 46
+  124.0515 73655.5 19
+  125.0354 570822.2 154
+  125.0717 63154.8 17
+  125.1081 44329.8 11
+  126.0922 110066.4 29
+  127.0875 146808.8 39
+  129.1034 92877.9 25
+  130.0869 96242.4 25
+  130.0982 815666.5 220
+  133.0403 86239.6 23
+  133.0654 42465 11
+  134.0484 50277.4 13
+  135.0559 596821.7 161
+  136.04 237768.3 64
+  137.0353 217245.1 58
+  137.0718 112267.3 30
+  138.0431 134887.8 36
+  139.0507 262676.9 70
+  139.087 315656.4 85
+  140.0825 198073.3 53
+  141.0664 87678.4 23
+  141.1031 441764.8 119
+  143.1185 3025749.8 817
+  144.0448 123826.7 33
+  145.0292 91890.8 24
+  146.0369 266146.6 71
+  146.0607 76067.9 20
+  147.0686 65351.6 17
+  151.0876 50766.8 13
+  153.0663 184181.1 49
+  153.1025 348379.2 94
+  154.0985 164117.3 44
+  156.0773 280914.3 75
+  165.1033 65996.3 17
+  169.0973 993501 268
+  170.0926 371303.2 100
+  187.1194 42123.8 11
+  196.1085 82179.3 22
+//
diff --git a/Eawag/MSBNK-EAWAG-ED061301.txt b/Eawag/MSBNK-EAWAG-ED061301.txt
new file mode 100644
index 0000000000..3c3535eebf
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED061301.txt
@@ -0,0 +1,45 @@
+ACCESSION: MSBNK-EAWAG-ED061301
+RECORD_TITLE: Oscillapeptin J; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 613
+CH$NAME: Oscillapeptin J
+CH$NAME: (2R)-3-(((2S)-1-(((5S,8S,11S,12S,15S,18S,21R)-8-((R)-sec-butyl)-15-(3-((diaminomethylene)amino)propyl)-21-hydroxy-5-(4-hydroxybenzyl)-2-((R)-1-hydroxyethyl)-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl)amino)-2-hydroxy-3-oxopropyl hydrogen sulfate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C47H68N10O18S
+CH$EXACT_MASS: 1092.443376
+CH$SMILES: CC[C@H]([C@H]1C(O[C@@H](C)[C@H](NC([C@@H](NC([C@H](O)COS(=O)(O)=O)=O)CC2=CC=C(O)C=C2)=O)C(N[C@@H](CCC/N=C(N)\N)C(N[C@H]3CC[C@@H](O)N(C([C@H](O)C)C(N(C)[C@@H](CC4=CC=C(O)C=C4)C(N1)=O)=O)C3=O)=O)=O)=O)C
+CH$IUPAC: InChI=1S/C47H68N10O18S/c1-6-23(2)36-46(70)75-25(4)37(55-40(64)32(20-26-9-13-28(59)14-10-26)53-42(66)34(61)22-74-76(71,72)73)43(67)51-30(8-7-19-50-47(48)49)39(63)52-31-17-18-35(62)57(44(31)68)38(24(3)58)45(69)56(5)33(41(65)54-36)21-27-11-15-29(60)16-12-27/h9-16,23-25,30-38,58-62H,6-8,17-22H2,1-5H3,(H,51,67)(H,52,63)(H,53,66)(H,54,65)(H,55,64)(H4,48,49,50)(H,71,72,73)/t23-,24-,25+,30+,31+,32+,33+,34-,35-,36+,37+,38?/m1/s1
+CH$LINK: PUBCHEM CID: 11768341
+CH$LINK: INCHIKEY TYSLVBJOPFOBFU-WRXHAISRSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 113-1136
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.335 min
+MS$FOCUSED_ION: BASE_PEAK 132.9578
+MS$FOCUSED_ION: PRECURSOR_M/Z 1093.4507
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03dj-9000000007-c4a0607d5b86a764b2a8
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  995.4808 C44H69N9O17+ 2 995.4806 0.2
+  1013.4912 C47H69N10O15+ 1 1013.4938 -2.62
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  995.4808 2625187 837
+  1013.4912 3133032.5 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED061302.txt b/Eawag/MSBNK-EAWAG-ED061302.txt
new file mode 100644
index 0000000000..fdb15a3786
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED061302.txt
@@ -0,0 +1,45 @@
+ACCESSION: MSBNK-EAWAG-ED061302
+RECORD_TITLE: Oscillapeptin J; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 613
+CH$NAME: Oscillapeptin J
+CH$NAME: (2R)-3-(((2S)-1-(((5S,8S,11S,12S,15S,18S,21R)-8-((R)-sec-butyl)-15-(3-((diaminomethylene)amino)propyl)-21-hydroxy-5-(4-hydroxybenzyl)-2-((R)-1-hydroxyethyl)-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl)amino)-2-hydroxy-3-oxopropyl hydrogen sulfate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C47H68N10O18S
+CH$EXACT_MASS: 1092.443376
+CH$SMILES: CC[C@H]([C@H]1C(O[C@@H](C)[C@H](NC([C@@H](NC([C@H](O)COS(=O)(O)=O)=O)CC2=CC=C(O)C=C2)=O)C(N[C@@H](CCC/N=C(N)\N)C(N[C@H]3CC[C@@H](O)N(C([C@H](O)C)C(N(C)[C@@H](CC4=CC=C(O)C=C4)C(N1)=O)=O)C3=O)=O)=O)=O)C
+CH$IUPAC: InChI=1S/C47H68N10O18S/c1-6-23(2)36-46(70)75-25(4)37(55-40(64)32(20-26-9-13-28(59)14-10-26)53-42(66)34(61)22-74-76(71,72)73)43(67)51-30(8-7-19-50-47(48)49)39(63)52-31-17-18-35(62)57(44(31)68)38(24(3)58)45(69)56(5)33(41(65)54-36)21-27-11-15-29(60)16-12-27/h9-16,23-25,30-38,58-62H,6-8,17-22H2,1-5H3,(H,51,67)(H,52,63)(H,53,66)(H,54,65)(H,55,64)(H4,48,49,50)(H,71,72,73)/t23-,24-,25+,30+,31+,32+,33+,34-,35-,36+,37+,38?/m1/s1
+CH$LINK: PUBCHEM CID: 11768341
+CH$LINK: INCHIKEY TYSLVBJOPFOBFU-WRXHAISRSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 113-1136
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.335 min
+MS$FOCUSED_ION: BASE_PEAK 132.9578
+MS$FOCUSED_ION: PRECURSOR_M/Z 1093.4507
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03dj-9000000006-742935754e66bda00856
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  995.4816 C44H69N9O17+ 2 995.4806 1.06
+  1013.492 C47H69N10O15+ 1 1013.4938 -1.84
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  995.4816 2240142.5 702
+  1013.492 3184658.8 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED061303.txt b/Eawag/MSBNK-EAWAG-ED061303.txt
new file mode 100644
index 0000000000..5839602a6d
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED061303.txt
@@ -0,0 +1,45 @@
+ACCESSION: MSBNK-EAWAG-ED061303
+RECORD_TITLE: Oscillapeptin J; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 613
+CH$NAME: Oscillapeptin J
+CH$NAME: (2R)-3-(((2S)-1-(((5S,8S,11S,12S,15S,18S,21R)-8-((R)-sec-butyl)-15-(3-((diaminomethylene)amino)propyl)-21-hydroxy-5-(4-hydroxybenzyl)-2-((R)-1-hydroxyethyl)-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl)amino)-2-hydroxy-3-oxopropyl hydrogen sulfate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C47H68N10O18S
+CH$EXACT_MASS: 1092.443376
+CH$SMILES: CC[C@H]([C@H]1C(O[C@@H](C)[C@H](NC([C@@H](NC([C@H](O)COS(=O)(O)=O)=O)CC2=CC=C(O)C=C2)=O)C(N[C@@H](CCC/N=C(N)\N)C(N[C@H]3CC[C@@H](O)N(C([C@H](O)C)C(N(C)[C@@H](CC4=CC=C(O)C=C4)C(N1)=O)=O)C3=O)=O)=O)=O)C
+CH$IUPAC: InChI=1S/C47H68N10O18S/c1-6-23(2)36-46(70)75-25(4)37(55-40(64)32(20-26-9-13-28(59)14-10-26)53-42(66)34(61)22-74-76(71,72)73)43(67)51-30(8-7-19-50-47(48)49)39(63)52-31-17-18-35(62)57(44(31)68)38(24(3)58)45(69)56(5)33(41(65)54-36)21-27-11-15-29(60)16-12-27/h9-16,23-25,30-38,58-62H,6-8,17-22H2,1-5H3,(H,51,67)(H,52,63)(H,53,66)(H,54,65)(H,55,64)(H4,48,49,50)(H,71,72,73)/t23-,24-,25+,30+,31+,32+,33+,34-,35-,36+,37+,38?/m1/s1
+CH$LINK: PUBCHEM CID: 11768341
+CH$LINK: INCHIKEY TYSLVBJOPFOBFU-WRXHAISRSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 113-1136
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.335 min
+MS$FOCUSED_ION: BASE_PEAK 132.9578
+MS$FOCUSED_ION: PRECURSOR_M/Z 1093.4507
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03dj-9000000007-449c63192c9ecd9fee3c
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  995.4812 C44H69N9O17+ 2 995.4806 0.63
+  1013.4917 C47H69N10O15+ 1 1013.4938 -2.08
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  995.4812 2451548 809
+  1013.4917 3024155.8 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED061304.txt b/Eawag/MSBNK-EAWAG-ED061304.txt
new file mode 100644
index 0000000000..1c09c4e9c0
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED061304.txt
@@ -0,0 +1,47 @@
+ACCESSION: MSBNK-EAWAG-ED061304
+RECORD_TITLE: Oscillapeptin J; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 613
+CH$NAME: Oscillapeptin J
+CH$NAME: (2R)-3-(((2S)-1-(((5S,8S,11S,12S,15S,18S,21R)-8-((R)-sec-butyl)-15-(3-((diaminomethylene)amino)propyl)-21-hydroxy-5-(4-hydroxybenzyl)-2-((R)-1-hydroxyethyl)-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl)amino)-2-hydroxy-3-oxopropyl hydrogen sulfate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C47H68N10O18S
+CH$EXACT_MASS: 1092.443376
+CH$SMILES: CC[C@H]([C@H]1C(O[C@@H](C)[C@H](NC([C@@H](NC([C@H](O)COS(=O)(O)=O)=O)CC2=CC=C(O)C=C2)=O)C(N[C@@H](CCC/N=C(N)\N)C(N[C@H]3CC[C@@H](O)N(C([C@H](O)C)C(N(C)[C@@H](CC4=CC=C(O)C=C4)C(N1)=O)=O)C3=O)=O)=O)=O)C
+CH$IUPAC: InChI=1S/C47H68N10O18S/c1-6-23(2)36-46(70)75-25(4)37(55-40(64)32(20-26-9-13-28(59)14-10-26)53-42(66)34(61)22-74-76(71,72)73)43(67)51-30(8-7-19-50-47(48)49)39(63)52-31-17-18-35(62)57(44(31)68)38(24(3)58)45(69)56(5)33(41(65)54-36)21-27-11-15-29(60)16-12-27/h9-16,23-25,30-38,58-62H,6-8,17-22H2,1-5H3,(H,51,67)(H,52,63)(H,53,66)(H,54,65)(H,55,64)(H4,48,49,50)(H,71,72,73)/t23-,24-,25+,30+,31+,32+,33+,34-,35-,36+,37+,38?/m1/s1
+CH$LINK: PUBCHEM CID: 11768341
+CH$LINK: INCHIKEY TYSLVBJOPFOBFU-WRXHAISRSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 113-1136
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.335 min
+MS$FOCUSED_ION: BASE_PEAK 132.9578
+MS$FOCUSED_ION: PRECURSOR_M/Z 1093.4507
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-01ot-7000000009-5606e0fe9e1058a805ab
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  150.0908 CH16N3O3S+ 2 150.0907 0.85
+  995.4814 C44H69N9O17+ 2 995.4806 0.81
+  1013.492 C47H69N10O15+ 1 1013.4938 -1.84
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  150.0908 35363.2 13
+  995.4814 2580944.2 999
+  1013.492 2177782.2 842
+//
diff --git a/Eawag/MSBNK-EAWAG-ED061305.txt b/Eawag/MSBNK-EAWAG-ED061305.txt
new file mode 100644
index 0000000000..fc2d4bd7ed
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED061305.txt
@@ -0,0 +1,59 @@
+ACCESSION: MSBNK-EAWAG-ED061305
+RECORD_TITLE: Oscillapeptin J; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 613
+CH$NAME: Oscillapeptin J
+CH$NAME: (2R)-3-(((2S)-1-(((5S,8S,11S,12S,15S,18S,21R)-8-((R)-sec-butyl)-15-(3-((diaminomethylene)amino)propyl)-21-hydroxy-5-(4-hydroxybenzyl)-2-((R)-1-hydroxyethyl)-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl)amino)-2-hydroxy-3-oxopropyl hydrogen sulfate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C47H68N10O18S
+CH$EXACT_MASS: 1092.443376
+CH$SMILES: CC[C@H]([C@H]1C(O[C@@H](C)[C@H](NC([C@@H](NC([C@H](O)COS(=O)(O)=O)=O)CC2=CC=C(O)C=C2)=O)C(N[C@@H](CCC/N=C(N)\N)C(N[C@H]3CC[C@@H](O)N(C([C@H](O)C)C(N(C)[C@@H](CC4=CC=C(O)C=C4)C(N1)=O)=O)C3=O)=O)=O)=O)C
+CH$IUPAC: InChI=1S/C47H68N10O18S/c1-6-23(2)36-46(70)75-25(4)37(55-40(64)32(20-26-9-13-28(59)14-10-26)53-42(66)34(61)22-74-76(71,72)73)43(67)51-30(8-7-19-50-47(48)49)39(63)52-31-17-18-35(62)57(44(31)68)38(24(3)58)45(69)56(5)33(41(65)54-36)21-27-11-15-29(60)16-12-27/h9-16,23-25,30-38,58-62H,6-8,17-22H2,1-5H3,(H,51,67)(H,52,63)(H,53,66)(H,54,65)(H,55,64)(H4,48,49,50)(H,71,72,73)/t23-,24-,25+,30+,31+,32+,33+,34-,35-,36+,37+,38?/m1/s1
+CH$LINK: PUBCHEM CID: 11768341
+CH$LINK: INCHIKEY TYSLVBJOPFOBFU-WRXHAISRSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 113-1136
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.335 min
+MS$FOCUSED_ION: BASE_PEAK 132.9578
+MS$FOCUSED_ION: PRECURSOR_M/Z 1093.4507
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0udj-2910000004-7504f34c0e406b40075b
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  115.0866 C5H11N2O+ 1 115.0866 -0.28
+  138.0659 C6H8N3O+ 1 138.0662 -1.78
+  150.0909 CH16N3O3S+ 2 150.0907 1.56
+  153.0657 C7H9N2O2+ 1 153.0659 -1.01
+  169.0967 H17N4O4S+ 3 169.0965 0.91
+  179.0808 CH15N4O4S+ 3 179.0809 -0.34
+  224.0904 C9H12N4O3+ 4 224.0904 -0.09
+  995.4804 C44H69N9O17+ 2 995.4806 -0.17
+  1013.49 C47H69N10O15+ 1 1013.4938 -3.77
+PK$NUM_PEAK: 9
+PK$PEAK: m/z int. rel.int.
+  115.0866 26136 60
+  138.0659 29638.2 69
+  150.0909 428632.3 999
+  153.0657 17265.7 40
+  169.0967 34284.1 79
+  179.0808 77627.4 180
+  224.0904 125304.8 292
+  995.4804 280969.5 654
+  1013.49 145581.3 339
+//
diff --git a/Eawag/MSBNK-EAWAG-ED061306.txt b/Eawag/MSBNK-EAWAG-ED061306.txt
new file mode 100644
index 0000000000..2abbd4e6c8
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED061306.txt
@@ -0,0 +1,61 @@
+ACCESSION: MSBNK-EAWAG-ED061306
+RECORD_TITLE: Oscillapeptin J; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 613
+CH$NAME: Oscillapeptin J
+CH$NAME: (2R)-3-(((2S)-1-(((5S,8S,11S,12S,15S,18S,21R)-8-((R)-sec-butyl)-15-(3-((diaminomethylene)amino)propyl)-21-hydroxy-5-(4-hydroxybenzyl)-2-((R)-1-hydroxyethyl)-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl)amino)-2-hydroxy-3-oxopropyl hydrogen sulfate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C47H68N10O18S
+CH$EXACT_MASS: 1092.443376
+CH$SMILES: CC[C@H]([C@H]1C(O[C@@H](C)[C@H](NC([C@@H](NC([C@H](O)COS(=O)(O)=O)=O)CC2=CC=C(O)C=C2)=O)C(N[C@@H](CCC/N=C(N)\N)C(N[C@H]3CC[C@@H](O)N(C([C@H](O)C)C(N(C)[C@@H](CC4=CC=C(O)C=C4)C(N1)=O)=O)C3=O)=O)=O)=O)C
+CH$IUPAC: InChI=1S/C47H68N10O18S/c1-6-23(2)36-46(70)75-25(4)37(55-40(64)32(20-26-9-13-28(59)14-10-26)53-42(66)34(61)22-74-76(71,72)73)43(67)51-30(8-7-19-50-47(48)49)39(63)52-31-17-18-35(62)57(44(31)68)38(24(3)58)45(69)56(5)33(41(65)54-36)21-27-11-15-29(60)16-12-27/h9-16,23-25,30-38,58-62H,6-8,17-22H2,1-5H3,(H,51,67)(H,52,63)(H,53,66)(H,54,65)(H,55,64)(H4,48,49,50)(H,71,72,73)/t23-,24-,25+,30+,31+,32+,33+,34-,35-,36+,37+,38?/m1/s1
+CH$LINK: PUBCHEM CID: 11768341
+CH$LINK: INCHIKEY TYSLVBJOPFOBFU-WRXHAISRSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 113-1136
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.335 min
+MS$FOCUSED_ION: BASE_PEAK 132.9578
+MS$FOCUSED_ION: PRECURSOR_M/Z 1093.4507
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0uk9-0930000000-986f0ed585fe187de7b3
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  115.0865 C5H11N2O+ 1 115.0866 -0.68
+  141.1024 C7H13N2O+ 2 141.1022 0.95
+  150.0909 CH16N3O3S+ 2 150.0907 1.66
+  151.0866 H15N4O3S+ 3 151.0859 4.2
+  153.0655 C7H9N2O2+ 1 153.0659 -2.21
+  169.0966 H17N4O4S+ 3 169.0965 0.55
+  179.0811 CH15N4O4S+ 2 179.0809 1.28
+  224.0909 C9H12N4O3+ 4 224.0904 2.16
+  229.0811 CH17N4O7S+ 4 229.0812 -0.49
+  241.1296 C2H21N6O5S+ 4 241.1289 3.03
+PK$NUM_PEAK: 10
+PK$PEAK: m/z int. rel.int.
+  115.0865 46241.8 94
+  141.1024 30502.1 62
+  150.0909 486557.4 999
+  151.0866 31428.8 64
+  153.0655 24150.3 49
+  169.0966 74463 152
+  179.0811 89387.3 183
+  224.0909 277929.9 570
+  229.0811 23412.3 48
+  241.1296 26089.5 53
+//
diff --git a/Eawag/MSBNK-EAWAG-ED061307.txt b/Eawag/MSBNK-EAWAG-ED061307.txt
new file mode 100644
index 0000000000..83bf714df2
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED061307.txt
@@ -0,0 +1,69 @@
+ACCESSION: MSBNK-EAWAG-ED061307
+RECORD_TITLE: Oscillapeptin J; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 613
+CH$NAME: Oscillapeptin J
+CH$NAME: (2R)-3-(((2S)-1-(((5S,8S,11S,12S,15S,18S,21R)-8-((R)-sec-butyl)-15-(3-((diaminomethylene)amino)propyl)-21-hydroxy-5-(4-hydroxybenzyl)-2-((R)-1-hydroxyethyl)-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl)amino)-2-hydroxy-3-oxopropyl hydrogen sulfate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C47H68N10O18S
+CH$EXACT_MASS: 1092.443376
+CH$SMILES: CC[C@H]([C@H]1C(O[C@@H](C)[C@H](NC([C@@H](NC([C@H](O)COS(=O)(O)=O)=O)CC2=CC=C(O)C=C2)=O)C(N[C@@H](CCC/N=C(N)\N)C(N[C@H]3CC[C@@H](O)N(C([C@H](O)C)C(N(C)[C@@H](CC4=CC=C(O)C=C4)C(N1)=O)=O)C3=O)=O)=O)=O)C
+CH$IUPAC: InChI=1S/C47H68N10O18S/c1-6-23(2)36-46(70)75-25(4)37(55-40(64)32(20-26-9-13-28(59)14-10-26)53-42(66)34(61)22-74-76(71,72)73)43(67)51-30(8-7-19-50-47(48)49)39(63)52-31-17-18-35(62)57(44(31)68)38(24(3)58)45(69)56(5)33(41(65)54-36)21-27-11-15-29(60)16-12-27/h9-16,23-25,30-38,58-62H,6-8,17-22H2,1-5H3,(H,51,67)(H,52,63)(H,53,66)(H,54,65)(H,55,64)(H4,48,49,50)(H,71,72,73)/t23-,24-,25+,30+,31+,32+,33+,34-,35-,36+,37+,38?/m1/s1
+CH$LINK: PUBCHEM CID: 11768341
+CH$LINK: INCHIKEY TYSLVBJOPFOBFU-WRXHAISRSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 113-1136
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.335 min
+MS$FOCUSED_ION: BASE_PEAK 132.9578
+MS$FOCUSED_ION: PRECURSOR_M/Z 1093.4507
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0udr-0910000000-5f84b37707f6d1a01aeb
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  115.0866 C5H11N2O+ 1 115.0866 -0.28
+  119.0488 H11N2O3S+ 2 119.0485 2.24
+  121.0646 C8H9O+ 2 121.0648 -1.81
+  124.0754 C7H10NO+ 1 124.0757 -2.66
+  136.0753 H14N3O3S+ 2 136.075 1.82
+  138.0657 C6H8N3O+ 1 138.0662 -3.21
+  141.0658 C6H9N2O2+ 1 141.0659 -0.61
+  141.1024 C7H13N2O+ 2 141.1022 1.06
+  150.0909 CH16N3O3S+ 2 150.0907 1.66
+  151.0861 H15N4O3S+ 2 151.0859 1.17
+  153.0657 C7H9N2O2+ 1 153.0659 -1.21
+  181.0965 CH17N4O4S+ 3 181.0965 0.04
+  224.0902 C9H12N4O3+ 4 224.0904 -0.77
+  229.0811 CH17N4O7S+ 4 229.0812 -0.76
+PK$NUM_PEAK: 14
+PK$PEAK: m/z int. rel.int.
+  115.0866 39894.3 92
+  119.0488 42647.6 99
+  121.0646 22658.2 52
+  124.0754 28619.3 66
+  136.0753 400354.8 932
+  138.0657 24820 57
+  141.0658 16866 39
+  141.1024 24663.3 57
+  150.0909 428757.2 999
+  151.0861 46933.5 109
+  153.0657 22949.4 53
+  181.0965 15328 35
+  224.0902 199257.8 464
+  229.0811 13623 31
+//
diff --git a/Eawag/MSBNK-EAWAG-ED061308.txt b/Eawag/MSBNK-EAWAG-ED061308.txt
new file mode 100644
index 0000000000..e4e99894a7
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED061308.txt
@@ -0,0 +1,67 @@
+ACCESSION: MSBNK-EAWAG-ED061308
+RECORD_TITLE: Oscillapeptin J; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 613
+CH$NAME: Oscillapeptin J
+CH$NAME: (2R)-3-(((2S)-1-(((5S,8S,11S,12S,15S,18S,21R)-8-((R)-sec-butyl)-15-(3-((diaminomethylene)amino)propyl)-21-hydroxy-5-(4-hydroxybenzyl)-2-((R)-1-hydroxyethyl)-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl)amino)-2-hydroxy-3-oxopropyl hydrogen sulfate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C47H68N10O18S
+CH$EXACT_MASS: 1092.443376
+CH$SMILES: CC[C@H]([C@H]1C(O[C@@H](C)[C@H](NC([C@@H](NC([C@H](O)COS(=O)(O)=O)=O)CC2=CC=C(O)C=C2)=O)C(N[C@@H](CCC/N=C(N)\N)C(N[C@H]3CC[C@@H](O)N(C([C@H](O)C)C(N(C)[C@@H](CC4=CC=C(O)C=C4)C(N1)=O)=O)C3=O)=O)=O)=O)C
+CH$IUPAC: InChI=1S/C47H68N10O18S/c1-6-23(2)36-46(70)75-25(4)37(55-40(64)32(20-26-9-13-28(59)14-10-26)53-42(66)34(61)22-74-76(71,72)73)43(67)51-30(8-7-19-50-47(48)49)39(63)52-31-17-18-35(62)57(44(31)68)38(24(3)58)45(69)56(5)33(41(65)54-36)21-27-11-15-29(60)16-12-27/h9-16,23-25,30-38,58-62H,6-8,17-22H2,1-5H3,(H,51,67)(H,52,63)(H,53,66)(H,54,65)(H,55,64)(H4,48,49,50)(H,71,72,73)/t23-,24-,25+,30+,31+,32+,33+,34-,35-,36+,37+,38?/m1/s1
+CH$LINK: PUBCHEM CID: 11768341
+CH$LINK: INCHIKEY TYSLVBJOPFOBFU-WRXHAISRSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 113-1136
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.335 min
+MS$FOCUSED_ION: BASE_PEAK 132.9578
+MS$FOCUSED_ION: PRECURSOR_M/Z 1093.4507
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0f79-0900000000-6336468478646330333f
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  115.0864 C5H11N2O+ 1 115.0866 -2.07
+  119.0487 H11N2O3S+ 2 119.0485 1.73
+  121.0649 C8H9O+ 1 121.0648 0.84
+  124.0756 C7H10NO+ 1 124.0757 -0.57
+  134.06 C8H8NO+ 2 134.06 0.05
+  135.0677 C8H9NO+ 2 135.0679 -1.08
+  136.0753 H14N3O3S+ 2 136.075 1.93
+  138.066 C6H8N3O+ 1 138.0662 -1
+  141.0663 C6H9N2O2+ 2 141.0659 3.28
+  141.102 C7H13N2O+ 1 141.1022 -1.97
+  150.0908 CH16N3O3S+ 2 150.0907 0.75
+  179.0811 CH15N4O4S+ 2 179.0809 1.28
+  224.0898 C9H12N4O3+ 4 224.0904 -2.61
+PK$NUM_PEAK: 13
+PK$PEAK: m/z int. rel.int.
+  115.0864 22726.4 47
+  119.0487 74558.6 156
+  121.0649 26673.2 56
+  124.0756 30332.4 63
+  134.06 13760.1 28
+  135.0677 45977.6 96
+  136.0753 474764.9 999
+  138.066 24291.1 51
+  141.0663 11689.6 24
+  141.102 19904.1 41
+  150.0908 282446 594
+  179.0811 9633.8 20
+  224.0898 67117.2 141
+//
diff --git a/Eawag/MSBNK-EAWAG-ED061309.txt b/Eawag/MSBNK-EAWAG-ED061309.txt
new file mode 100644
index 0000000000..114921036d
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED061309.txt
@@ -0,0 +1,51 @@
+ACCESSION: MSBNK-EAWAG-ED061309
+RECORD_TITLE: Oscillapeptin J; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 613
+CH$NAME: Oscillapeptin J
+CH$NAME: (2R)-3-(((2S)-1-(((5S,8S,11S,12S,15S,18S,21R)-8-((R)-sec-butyl)-15-(3-((diaminomethylene)amino)propyl)-21-hydroxy-5-(4-hydroxybenzyl)-2-((R)-1-hydroxyethyl)-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl)amino)-2-hydroxy-3-oxopropyl hydrogen sulfate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C47H68N10O18S
+CH$EXACT_MASS: 1092.443376
+CH$SMILES: CC[C@H]([C@H]1C(O[C@@H](C)[C@H](NC([C@@H](NC([C@H](O)COS(=O)(O)=O)=O)CC2=CC=C(O)C=C2)=O)C(N[C@@H](CCC/N=C(N)\N)C(N[C@H]3CC[C@@H](O)N(C([C@H](O)C)C(N(C)[C@@H](CC4=CC=C(O)C=C4)C(N1)=O)=O)C3=O)=O)=O)=O)C
+CH$IUPAC: InChI=1S/C47H68N10O18S/c1-6-23(2)36-46(70)75-25(4)37(55-40(64)32(20-26-9-13-28(59)14-10-26)53-42(66)34(61)22-74-76(71,72)73)43(67)51-30(8-7-19-50-47(48)49)39(63)52-31-17-18-35(62)57(44(31)68)38(24(3)58)45(69)56(5)33(41(65)54-36)21-27-11-15-29(60)16-12-27/h9-16,23-25,30-38,58-62H,6-8,17-22H2,1-5H3,(H,51,67)(H,52,63)(H,53,66)(H,54,65)(H,55,64)(H4,48,49,50)(H,71,72,73)/t23-,24-,25+,30+,31+,32+,33+,34-,35-,36+,37+,38?/m1/s1
+CH$LINK: PUBCHEM CID: 11768341
+CH$LINK: INCHIKEY TYSLVBJOPFOBFU-WRXHAISRSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 113-1136
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.335 min
+MS$FOCUSED_ION: BASE_PEAK 132.9578
+MS$FOCUSED_ION: PRECURSOR_M/Z 1093.4507
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-000i-0900000000-a6b86ca9f7cb2ac38fad
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  119.0488 C8H7O+ 2 119.0491 -2.65
+  121.0648 C8H9O+ 1 121.0648 -0.17
+  124.0755 C7H10NO+ 1 124.0757 -1.43
+  136.0753 H14N3O3S+ 2 136.075 1.71
+  150.0906 CH16N3O3S+ 2 150.0907 -0.68
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  119.0488 97847.2 224
+  121.0648 24026.9 55
+  124.0755 26088.6 59
+  136.0753 435922.9 999
+  150.0906 191923.4 439
+//
diff --git a/Eawag/MSBNK-EAWAG-ED061351.txt b/Eawag/MSBNK-EAWAG-ED061351.txt
new file mode 100644
index 0000000000..e0d439e594
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED061351.txt
@@ -0,0 +1,43 @@
+ACCESSION: MSBNK-EAWAG-ED061351
+RECORD_TITLE: Oscillapeptin J; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 613
+CH$NAME: Oscillapeptin J
+CH$NAME: (2R)-3-(((2S)-1-(((5S,8S,11S,12S,15S,18S,21R)-8-((R)-sec-butyl)-15-(3-((diaminomethylene)amino)propyl)-21-hydroxy-5-(4-hydroxybenzyl)-2-((R)-1-hydroxyethyl)-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl)amino)-2-hydroxy-3-oxopropyl hydrogen sulfate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C47H68N10O18S
+CH$EXACT_MASS: 1092.443376
+CH$SMILES: CC[C@H]([C@H]1C(O[C@@H](C)[C@H](NC([C@@H](NC([C@H](O)COS(=O)(O)=O)=O)CC2=CC=C(O)C=C2)=O)C(N[C@@H](CCC/N=C(N)\N)C(N[C@H]3CC[C@@H](O)N(C([C@H](O)C)C(N(C)[C@@H](CC4=CC=C(O)C=C4)C(N1)=O)=O)C3=O)=O)=O)=O)C
+CH$IUPAC: InChI=1S/C47H68N10O18S/c1-6-23(2)36-46(70)75-25(4)37(55-40(64)32(20-26-9-13-28(59)14-10-26)53-42(66)34(61)22-74-76(71,72)73)43(67)51-30(8-7-19-50-47(48)49)39(63)52-31-17-18-35(62)57(44(31)68)38(24(3)58)45(69)56(5)33(41(65)54-36)21-27-11-15-29(60)16-12-27/h9-16,23-25,30-38,58-62H,6-8,17-22H2,1-5H3,(H,51,67)(H,52,63)(H,53,66)(H,54,65)(H,55,64)(H4,48,49,50)(H,71,72,73)/t23-,24-,25+,30+,31+,32+,33+,34-,35-,36+,37+,38?/m1/s1
+CH$LINK: PUBCHEM CID: 11768341
+CH$LINK: INCHIKEY TYSLVBJOPFOBFU-WRXHAISRSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 113-1134
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.322 min
+MS$FOCUSED_ION: BASE_PEAK 1091.4368
+MS$FOCUSED_ION: PRECURSOR_M/Z 1091.4361
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0006-9000000000-80bad45b7a8f1fdca6f6
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  1091.4373 C47H67N10O18S- 1 1091.4361 1.07
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  1091.4373 22380596 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED061352.txt b/Eawag/MSBNK-EAWAG-ED061352.txt
new file mode 100644
index 0000000000..457f6c2e5b
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED061352.txt
@@ -0,0 +1,43 @@
+ACCESSION: MSBNK-EAWAG-ED061352
+RECORD_TITLE: Oscillapeptin J; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 613
+CH$NAME: Oscillapeptin J
+CH$NAME: (2R)-3-(((2S)-1-(((5S,8S,11S,12S,15S,18S,21R)-8-((R)-sec-butyl)-15-(3-((diaminomethylene)amino)propyl)-21-hydroxy-5-(4-hydroxybenzyl)-2-((R)-1-hydroxyethyl)-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl)amino)-2-hydroxy-3-oxopropyl hydrogen sulfate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C47H68N10O18S
+CH$EXACT_MASS: 1092.443376
+CH$SMILES: CC[C@H]([C@H]1C(O[C@@H](C)[C@H](NC([C@@H](NC([C@H](O)COS(=O)(O)=O)=O)CC2=CC=C(O)C=C2)=O)C(N[C@@H](CCC/N=C(N)\N)C(N[C@H]3CC[C@@H](O)N(C([C@H](O)C)C(N(C)[C@@H](CC4=CC=C(O)C=C4)C(N1)=O)=O)C3=O)=O)=O)=O)C
+CH$IUPAC: InChI=1S/C47H68N10O18S/c1-6-23(2)36-46(70)75-25(4)37(55-40(64)32(20-26-9-13-28(59)14-10-26)53-42(66)34(61)22-74-76(71,72)73)43(67)51-30(8-7-19-50-47(48)49)39(63)52-31-17-18-35(62)57(44(31)68)38(24(3)58)45(69)56(5)33(41(65)54-36)21-27-11-15-29(60)16-12-27/h9-16,23-25,30-38,58-62H,6-8,17-22H2,1-5H3,(H,51,67)(H,52,63)(H,53,66)(H,54,65)(H,55,64)(H4,48,49,50)(H,71,72,73)/t23-,24-,25+,30+,31+,32+,33+,34-,35-,36+,37+,38?/m1/s1
+CH$LINK: PUBCHEM CID: 11768341
+CH$LINK: INCHIKEY TYSLVBJOPFOBFU-WRXHAISRSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 113-1134
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.322 min
+MS$FOCUSED_ION: BASE_PEAK 1091.4368
+MS$FOCUSED_ION: PRECURSOR_M/Z 1091.4361
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0006-9000000000-deb1052d0a58439d74ea
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  1091.4362 C47H67N10O18S- 1 1091.4361 0.06
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  1091.4362 18731984 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED061353.txt b/Eawag/MSBNK-EAWAG-ED061353.txt
new file mode 100644
index 0000000000..fecd408a8e
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED061353.txt
@@ -0,0 +1,51 @@
+ACCESSION: MSBNK-EAWAG-ED061353
+RECORD_TITLE: Oscillapeptin J; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 613
+CH$NAME: Oscillapeptin J
+CH$NAME: (2R)-3-(((2S)-1-(((5S,8S,11S,12S,15S,18S,21R)-8-((R)-sec-butyl)-15-(3-((diaminomethylene)amino)propyl)-21-hydroxy-5-(4-hydroxybenzyl)-2-((R)-1-hydroxyethyl)-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl)amino)-2-hydroxy-3-oxopropyl hydrogen sulfate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C47H68N10O18S
+CH$EXACT_MASS: 1092.443376
+CH$SMILES: CC[C@H]([C@H]1C(O[C@@H](C)[C@H](NC([C@@H](NC([C@H](O)COS(=O)(O)=O)=O)CC2=CC=C(O)C=C2)=O)C(N[C@@H](CCC/N=C(N)\N)C(N[C@H]3CC[C@@H](O)N(C([C@H](O)C)C(N(C)[C@@H](CC4=CC=C(O)C=C4)C(N1)=O)=O)C3=O)=O)=O)=O)C
+CH$IUPAC: InChI=1S/C47H68N10O18S/c1-6-23(2)36-46(70)75-25(4)37(55-40(64)32(20-26-9-13-28(59)14-10-26)53-42(66)34(61)22-74-76(71,72)73)43(67)51-30(8-7-19-50-47(48)49)39(63)52-31-17-18-35(62)57(44(31)68)38(24(3)58)45(69)56(5)33(41(65)54-36)21-27-11-15-29(60)16-12-27/h9-16,23-25,30-38,58-62H,6-8,17-22H2,1-5H3,(H,51,67)(H,52,63)(H,53,66)(H,54,65)(H,55,64)(H4,48,49,50)(H,71,72,73)/t23-,24-,25+,30+,31+,32+,33+,34-,35-,36+,37+,38?/m1/s1
+CH$LINK: PUBCHEM CID: 11768341
+CH$LINK: INCHIKEY TYSLVBJOPFOBFU-WRXHAISRSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 113-1134
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.322 min
+MS$FOCUSED_ION: BASE_PEAK 1091.4368
+MS$FOCUSED_ION: PRECURSOR_M/Z 1091.4361
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0006-9000000000-d6a842db31fba65f718c
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  967.453 C45H63N10O14- 5 967.4531 -0.05
+  1011.4786 C47H67N10O15- 1 1011.4793 -0.64
+  1047.4102 C45H63N10O17S- 2 1047.4099 0.35
+  1049.4148 C46H65N8O18S- 1 1049.4143 0.44
+  1091.4363 C47H67N10O18S- 1 1091.4361 0.18
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  967.453 725112.8 47
+  1011.4786 1789570.4 116
+  1047.4102 1678502.8 109
+  1049.4148 250395.4 16
+  1091.4363 15362650 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED061354.txt b/Eawag/MSBNK-EAWAG-ED061354.txt
new file mode 100644
index 0000000000..c9d785d239
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED061354.txt
@@ -0,0 +1,59 @@
+ACCESSION: MSBNK-EAWAG-ED061354
+RECORD_TITLE: Oscillapeptin J; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 613
+CH$NAME: Oscillapeptin J
+CH$NAME: (2R)-3-(((2S)-1-(((5S,8S,11S,12S,15S,18S,21R)-8-((R)-sec-butyl)-15-(3-((diaminomethylene)amino)propyl)-21-hydroxy-5-(4-hydroxybenzyl)-2-((R)-1-hydroxyethyl)-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl)amino)-2-hydroxy-3-oxopropyl hydrogen sulfate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C47H68N10O18S
+CH$EXACT_MASS: 1092.443376
+CH$SMILES: CC[C@H]([C@H]1C(O[C@@H](C)[C@H](NC([C@@H](NC([C@H](O)COS(=O)(O)=O)=O)CC2=CC=C(O)C=C2)=O)C(N[C@@H](CCC/N=C(N)\N)C(N[C@H]3CC[C@@H](O)N(C([C@H](O)C)C(N(C)[C@@H](CC4=CC=C(O)C=C4)C(N1)=O)=O)C3=O)=O)=O)=O)C
+CH$IUPAC: InChI=1S/C47H68N10O18S/c1-6-23(2)36-46(70)75-25(4)37(55-40(64)32(20-26-9-13-28(59)14-10-26)53-42(66)34(61)22-74-76(71,72)73)43(67)51-30(8-7-19-50-47(48)49)39(63)52-31-17-18-35(62)57(44(31)68)38(24(3)58)45(69)56(5)33(41(65)54-36)21-27-11-15-29(60)16-12-27/h9-16,23-25,30-38,58-62H,6-8,17-22H2,1-5H3,(H,51,67)(H,52,63)(H,53,66)(H,54,65)(H,55,64)(H4,48,49,50)(H,71,72,73)/t23-,24-,25+,30+,31+,32+,33+,34-,35-,36+,37+,38?/m1/s1
+CH$LINK: PUBCHEM CID: 11768341
+CH$LINK: INCHIKEY TYSLVBJOPFOBFU-WRXHAISRSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 113-1134
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.322 min
+MS$FOCUSED_ION: BASE_PEAK 1091.4368
+MS$FOCUSED_ION: PRECURSOR_M/Z 1091.4361
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-02tc-9000000006-41ef4df5e8e2115a097d
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  633.3359 C29H45N8O8- 28 633.3366 -1.11
+  925.432 C38H67N7O17S- 10 925.432 0.09
+  967.4531 C45H63N10O14- 5 967.4531 0.07
+  968.452 C46H64N8O15- 2 968.4497 2.46
+  969.4589 C43H67N7O18- 3 969.4548 4.2
+  1011.479 C47H67N10O15- 1 1011.4793 -0.28
+  1049.4139 C46H65N8O18S- 1 1049.4143 -0.37
+  1074.4095 C47H64N9O18S- 1 1074.4096 -0.01
+  1091.4367 C47H67N10O18S- 1 1091.4361 0.51
+PK$NUM_PEAK: 9
+PK$PEAK: m/z int. rel.int.
+  633.3359 204341.9 44
+  925.432 266339.3 58
+  967.4531 4542598.5 999
+  968.452 346783.1 76
+  969.4589 191781.8 42
+  1011.479 2846427 625
+  1049.4139 323044.5 71
+  1074.4095 240208.4 52
+  1091.4367 4372973.5 961
+//
diff --git a/Eawag/MSBNK-EAWAG-ED061355.txt b/Eawag/MSBNK-EAWAG-ED061355.txt
new file mode 100644
index 0000000000..11dd85649e
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED061355.txt
@@ -0,0 +1,83 @@
+ACCESSION: MSBNK-EAWAG-ED061355
+RECORD_TITLE: Oscillapeptin J; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 613
+CH$NAME: Oscillapeptin J
+CH$NAME: (2R)-3-(((2S)-1-(((5S,8S,11S,12S,15S,18S,21R)-8-((R)-sec-butyl)-15-(3-((diaminomethylene)amino)propyl)-21-hydroxy-5-(4-hydroxybenzyl)-2-((R)-1-hydroxyethyl)-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl)amino)-2-hydroxy-3-oxopropyl hydrogen sulfate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C47H68N10O18S
+CH$EXACT_MASS: 1092.443376
+CH$SMILES: CC[C@H]([C@H]1C(O[C@@H](C)[C@H](NC([C@@H](NC([C@H](O)COS(=O)(O)=O)=O)CC2=CC=C(O)C=C2)=O)C(N[C@@H](CCC/N=C(N)\N)C(N[C@H]3CC[C@@H](O)N(C([C@H](O)C)C(N(C)[C@@H](CC4=CC=C(O)C=C4)C(N1)=O)=O)C3=O)=O)=O)=O)C
+CH$IUPAC: InChI=1S/C47H68N10O18S/c1-6-23(2)36-46(70)75-25(4)37(55-40(64)32(20-26-9-13-28(59)14-10-26)53-42(66)34(61)22-74-76(71,72)73)43(67)51-30(8-7-19-50-47(48)49)39(63)52-31-17-18-35(62)57(44(31)68)38(24(3)58)45(69)56(5)33(41(65)54-36)21-27-11-15-29(60)16-12-27/h9-16,23-25,30-38,58-62H,6-8,17-22H2,1-5H3,(H,51,67)(H,52,63)(H,53,66)(H,54,65)(H,55,64)(H4,48,49,50)(H,71,72,73)/t23-,24-,25+,30+,31+,32+,33+,34-,35-,36+,37+,38?/m1/s1
+CH$LINK: PUBCHEM CID: 11768341
+CH$LINK: INCHIKEY TYSLVBJOPFOBFU-WRXHAISRSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 113-1134
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.322 min
+MS$FOCUSED_ION: BASE_PEAK 1091.4368
+MS$FOCUSED_ION: PRECURSOR_M/Z 1091.4361
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0159-0130003009-1b11b442d4fe6e061c00
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  114.0196 C4H4NO3- 1 114.0197 -0.16
+  126.0195 C5H4NO3- 1 126.0197 -0.97
+  127.0513 C5H7N2O2- 1 127.0513 -0.1
+  130.0872 C6H12NO2- 1 130.0874 -1.03
+  140.0351 C6H6NO3- 1 140.0353 -1.78
+  144.0301 C5H6NO4- 1 144.0302 -0.6
+  165.103 CH17N4O3S- 2 165.1027 1.68
+  182.0926 H16N5O4S- 3 182.0928 -1.41
+  196.0723 H14N5O5S- 3 196.0721 0.72
+  214.082 H16N5O6S- 3 214.0827 -2.99
+  217.0976 C4H17N4O4S- 3 217.0976 0.13
+  220.0608 C2H8N10OS- 4 220.0609 -0.38
+  226.0826 CH16N5O6S- 4 226.0827 -0.25
+  233.0923 C4H17N4O5S- 5 233.0925 -0.82
+  251.1144 C3H19N6O5S- 4 251.1143 0.25
+  267.098 C4H19N4O7S- 6 267.098 -0.09
+  633.3359 C29H45N8O8- 27 633.3366 -1.01
+  925.4317 C38H67N7O17S- 11 925.432 -0.24
+  967.453 C45H63N10O14- 5 967.4531 -0.05
+  968.4503 C46H64N8O15- 3 968.4497 0.63
+  1011.478 C47H67N10O15- 1 1011.4793 -1.31
+PK$NUM_PEAK: 21
+PK$PEAK: m/z int. rel.int.
+  114.0196 20029.8 15
+  126.0195 26928.1 21
+  127.0513 58148.4 46
+  130.0872 51603.7 41
+  140.0351 29728.2 23
+  144.0301 68417 54
+  165.103 34684.1 27
+  182.0926 40090.5 31
+  196.0723 48956.4 39
+  214.082 55450.3 44
+  217.0976 70820.6 56
+  220.0608 87098.4 69
+  226.0826 103215.8 82
+  233.0923 96781.6 77
+  251.1144 135041.5 107
+  267.098 73330.6 58
+  633.3359 728857 581
+  925.4317 396623.8 316
+  967.453 1252876.1 999
+  968.4503 92009.8 73
+  1011.478 37874.4 30
+//
diff --git a/Eawag/MSBNK-EAWAG-ED061601.txt b/Eawag/MSBNK-EAWAG-ED061601.txt
new file mode 100644
index 0000000000..95b58ca93d
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED061601.txt
@@ -0,0 +1,51 @@
+ACCESSION: MSBNK-EAWAG-ED061601
+RECORD_TITLE: Cyanopeptolin CP962; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md16070220
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 616
+CH$NAME: Cyanopeptolin CP962
+CH$NAME: 3-butyramido-4-((2,5-dibenzyl-15-(3-guanidinopropyl)-21-hydroxy-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C47H66N10O12
+CH$EXACT_MASS: 962.4861676
+CH$SMILES: CCCC(NC(C(NC(C(NC(CCCNC(N)=N)C(NC1C(N(C(C(N(C(C(NC2C(C)C)=O)CC3=CC=CC=C3)C)=O)CC4=CC=CC=C4)C(O)CC1)=O)=O)=O)C(OC2=O)C)=O)CC(O)=O)=O
+CH$IUPAC: InChI=1S/C47H66N10O12/c1-6-14-35(58)51-32(25-37(60)61)41(63)55-39-27(4)69-46(68)38(26(2)3)54-42(64)33(23-28-15-9-7-10-16-28)56(5)45(67)34(24-29-17-11-8-12-18-29)57-36(59)21-20-31(44(57)66)53-40(62)30(52-43(39)65)19-13-22-50-47(48)49/h7-12,15-18,26-27,30-34,36,38-39,59H,6,13-14,19-25H2,1-5H3,(H,51,58)(H,52,65)(H,53,62)(H,54,64)(H,55,63)(H,60,61)(H4,48,49,50)
+CH$LINK: PUBCHEM CID:139590674
+CH$LINK: INCHIKEY GKSSZFHZBNEQFN-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 68003705
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 100-1004
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.041 min
+MS$FOCUSED_ION: BASE_PEAK 963.492
+MS$FOCUSED_ION: PRECURSOR_M/Z 963.4934
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-03di-0000000009-d9ea931e6c9bf868e46c
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  107.056 CH7N4O2+ 1 107.0564 -2.88
+  778.4241 C39H56N9O8+ 6 778.4246 -0.74
+  945.483 C47H65N10O11+ 1 945.4829 0.18
+  963.492 C47H67N10O12+ 1 963.4934 -1.47
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  107.056 21691718 50
+  778.4241 4556851 10
+  945.483 7809223 18
+  963.492 428405632 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED061602.txt b/Eawag/MSBNK-EAWAG-ED061602.txt
new file mode 100644
index 0000000000..b6535d386d
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED061602.txt
@@ -0,0 +1,49 @@
+ACCESSION: MSBNK-EAWAG-ED061602
+RECORD_TITLE: Cyanopeptolin CP962; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md16070220
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 616
+CH$NAME: Cyanopeptolin CP962
+CH$NAME: 3-butyramido-4-((2,5-dibenzyl-15-(3-guanidinopropyl)-21-hydroxy-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C47H66N10O12
+CH$EXACT_MASS: 962.4861676
+CH$SMILES: CCCC(NC(C(NC(C(NC(CCCNC(N)=N)C(NC1C(N(C(C(N(C(C(NC2C(C)C)=O)CC3=CC=CC=C3)C)=O)CC4=CC=CC=C4)C(O)CC1)=O)=O)=O)C(OC2=O)C)=O)CC(O)=O)=O
+CH$IUPAC: InChI=1S/C47H66N10O12/c1-6-14-35(58)51-32(25-37(60)61)41(63)55-39-27(4)69-46(68)38(26(2)3)54-42(64)33(23-28-15-9-7-10-16-28)56(5)45(67)34(24-29-17-11-8-12-18-29)57-36(59)21-20-31(44(57)66)53-40(62)30(52-43(39)65)19-13-22-50-47(48)49/h7-12,15-18,26-27,30-34,36,38-39,59H,6,13-14,19-25H2,1-5H3,(H,51,58)(H,52,65)(H,53,62)(H,54,64)(H,55,63)(H,60,61)(H4,48,49,50)
+CH$LINK: PUBCHEM CID:139590674
+CH$LINK: INCHIKEY GKSSZFHZBNEQFN-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 68003705
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 100-1004
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.041 min
+MS$FOCUSED_ION: BASE_PEAK 963.492
+MS$FOCUSED_ION: PRECURSOR_M/Z 963.4934
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-03di-0000000009-af781457172c49c4f91b
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  107.0561 CH7N4O2+ 1 107.0564 -2.45
+  945.4824 C47H65N10O11+ 1 945.4829 -0.53
+  963.4925 C47H67N10O12+ 1 963.4934 -1.02
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  107.0561 14981030 50
+  945.4824 47624656 160
+  963.4925 295543136 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED061603.txt b/Eawag/MSBNK-EAWAG-ED061603.txt
new file mode 100644
index 0000000000..7eaa2c3588
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED061603.txt
@@ -0,0 +1,55 @@
+ACCESSION: MSBNK-EAWAG-ED061603
+RECORD_TITLE: Cyanopeptolin CP962; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md16070220
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 616
+CH$NAME: Cyanopeptolin CP962
+CH$NAME: 3-butyramido-4-((2,5-dibenzyl-15-(3-guanidinopropyl)-21-hydroxy-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C47H66N10O12
+CH$EXACT_MASS: 962.4861676
+CH$SMILES: CCCC(NC(C(NC(C(NC(CCCNC(N)=N)C(NC1C(N(C(C(N(C(C(NC2C(C)C)=O)CC3=CC=CC=C3)C)=O)CC4=CC=CC=C4)C(O)CC1)=O)=O)=O)C(OC2=O)C)=O)CC(O)=O)=O
+CH$IUPAC: InChI=1S/C47H66N10O12/c1-6-14-35(58)51-32(25-37(60)61)41(63)55-39-27(4)69-46(68)38(26(2)3)54-42(64)33(23-28-15-9-7-10-16-28)56(5)45(67)34(24-29-17-11-8-12-18-29)57-36(59)21-20-31(44(57)66)53-40(62)30(52-43(39)65)19-13-22-50-47(48)49/h7-12,15-18,26-27,30-34,36,38-39,59H,6,13-14,19-25H2,1-5H3,(H,51,58)(H,52,65)(H,53,62)(H,54,64)(H,55,63)(H,60,61)(H4,48,49,50)
+CH$LINK: PUBCHEM CID:139590674
+CH$LINK: INCHIKEY GKSSZFHZBNEQFN-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 68003705
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 100-1004
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.041 min
+MS$FOCUSED_ION: BASE_PEAK 963.492
+MS$FOCUSED_ION: PRECURSOR_M/Z 963.4934
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-03dj-0000000109-52624cd35425b186dc5d
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  107.0562 CH7N4O2+ 1 107.0564 -1.24
+  404.1963 C24H26N3O3+ 5 404.1969 -1.38
+  760.4137 C39H54N9O7+ 7 760.4141 -0.44
+  778.4241 C39H56N9O8+ 6 778.4246 -0.66
+  945.4823 C47H65N10O11+ 1 945.4829 -0.66
+  963.4927 C47H67N10O12+ 1 963.4934 -0.77
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  107.0562 8715793 49
+  404.1963 5452486 31
+  760.4137 26349272 149
+  778.4241 33565084 191
+  945.4823 104301888 593
+  963.4927 175492672 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED061604.txt b/Eawag/MSBNK-EAWAG-ED061604.txt
new file mode 100644
index 0000000000..fe082b1931
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED061604.txt
@@ -0,0 +1,75 @@
+ACCESSION: MSBNK-EAWAG-ED061604
+RECORD_TITLE: Cyanopeptolin CP962; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md16070220
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 616
+CH$NAME: Cyanopeptolin CP962
+CH$NAME: 3-butyramido-4-((2,5-dibenzyl-15-(3-guanidinopropyl)-21-hydroxy-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C47H66N10O12
+CH$EXACT_MASS: 962.4861676
+CH$SMILES: CCCC(NC(C(NC(C(NC(CCCNC(N)=N)C(NC1C(N(C(C(N(C(C(NC2C(C)C)=O)CC3=CC=CC=C3)C)=O)CC4=CC=CC=C4)C(O)CC1)=O)=O)=O)C(OC2=O)C)=O)CC(O)=O)=O
+CH$IUPAC: InChI=1S/C47H66N10O12/c1-6-14-35(58)51-32(25-37(60)61)41(63)55-39-27(4)69-46(68)38(26(2)3)54-42(64)33(23-28-15-9-7-10-16-28)56(5)45(67)34(24-29-17-11-8-12-18-29)57-36(59)21-20-31(44(57)66)53-40(62)30(52-43(39)65)19-13-22-50-47(48)49/h7-12,15-18,26-27,30-34,36,38-39,59H,6,13-14,19-25H2,1-5H3,(H,51,58)(H,52,65)(H,53,62)(H,54,64)(H,55,63)(H,60,61)(H4,48,49,50)
+CH$LINK: PUBCHEM CID:139590674
+CH$LINK: INCHIKEY GKSSZFHZBNEQFN-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 68003705
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 100-1004
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.041 min
+MS$FOCUSED_ION: BASE_PEAK 963.492
+MS$FOCUSED_ION: PRECURSOR_M/Z 963.4934
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-03dj-0000100409-5e0ad4624a7730746173
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  107.0564 CH7N4O2+ 1 107.0564 0.25
+  112.0869 C5H10N3+ 1 112.0869 0.13
+  134.0963 C9H12N+ 1 134.0964 -0.65
+  215.118 C13H15N2O+ 2 215.1179 0.49
+  223.119 C10H15N4O2+ 1 223.119 0.21
+  243.1128 C14H15N2O2+ 2 243.1128 0.15
+  279.1705 C15H23N2O3+ 2 279.1703 0.63
+  292.134 C6H16N10O4+ 4 292.1351 -3.55
+  404.1967 C24H26N3O3+ 5 404.1969 -0.32
+  425.2144 C18H29N6O6+ 6 425.2143 0.16
+  760.4139 C39H54N9O7+ 7 760.4141 -0.2
+  778.4242 C39H56N9O8+ 6 778.4246 -0.51
+  917.4856 C46H65N10O10+ 1 917.488 -2.59
+  928.4552 C47H62N9O11+ 1 928.4563 -1.21
+  945.4826 C47H65N10O11+ 1 945.4829 -0.34
+  963.4931 C47H67N10O12+ 1 963.4934 -0.33
+PK$NUM_PEAK: 16
+PK$PEAK: m/z int. rel.int.
+  107.0564 2699916.5 44
+  112.0869 919975.6 15
+  134.0963 7221622.5 119
+  215.118 1732597 28
+  223.119 2105403.5 34
+  243.1128 3603302 59
+  279.1705 915901.6 15
+  292.134 655020.8 10
+  404.1967 11549919 191
+  425.2144 3017639.2 50
+  760.4139 35324964 586
+  778.4242 24687880 409
+  917.4856 4031636.8 66
+  928.4552 1043840.1 17
+  945.4826 60203132 999
+  963.4931 55162820 915
+//
diff --git a/Eawag/MSBNK-EAWAG-ED061605.txt b/Eawag/MSBNK-EAWAG-ED061605.txt
new file mode 100644
index 0000000000..85e89e6f68
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED061605.txt
@@ -0,0 +1,113 @@
+ACCESSION: MSBNK-EAWAG-ED061605
+RECORD_TITLE: Cyanopeptolin CP962; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md16070220
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 616
+CH$NAME: Cyanopeptolin CP962
+CH$NAME: 3-butyramido-4-((2,5-dibenzyl-15-(3-guanidinopropyl)-21-hydroxy-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C47H66N10O12
+CH$EXACT_MASS: 962.4861676
+CH$SMILES: CCCC(NC(C(NC(C(NC(CCCNC(N)=N)C(NC1C(N(C(C(N(C(C(NC2C(C)C)=O)CC3=CC=CC=C3)C)=O)CC4=CC=CC=C4)C(O)CC1)=O)=O)=O)C(OC2=O)C)=O)CC(O)=O)=O
+CH$IUPAC: InChI=1S/C47H66N10O12/c1-6-14-35(58)51-32(25-37(60)61)41(63)55-39-27(4)69-46(68)38(26(2)3)54-42(64)33(23-28-15-9-7-10-16-28)56(5)45(67)34(24-29-17-11-8-12-18-29)57-36(59)21-20-31(44(57)66)53-40(62)30(52-43(39)65)19-13-22-50-47(48)49/h7-12,15-18,26-27,30-34,36,38-39,59H,6,13-14,19-25H2,1-5H3,(H,51,58)(H,52,65)(H,53,62)(H,54,64)(H,55,63)(H,60,61)(H4,48,49,50)
+CH$LINK: PUBCHEM CID:139590674
+CH$LINK: INCHIKEY GKSSZFHZBNEQFN-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 68003705
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 100-1004
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.041 min
+MS$FOCUSED_ION: BASE_PEAK 963.492
+MS$FOCUSED_ION: PRECURSOR_M/Z 963.4934
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-01x3-0960000000-974a31855488defc1285
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  112.0868 C5H10N3+ 1 112.0869 -1.24
+  113.0709 C5H9N2O+ 1 113.0709 0.06
+  115.0863 C5H11N2O+ 1 115.0866 -2.77
+  119.0728 C8H9N+ 1 119.073 -0.9
+  120.0807 C8H10N+ 1 120.0808 -0.44
+  134.0963 C9H12N+ 1 134.0964 -0.87
+  138.0659 C6H8N3O+ 1 138.0662 -1.75
+  139.0976 C6H11N4+ 1 139.0978 -1.8
+  140.0818 C6H10N3O+ 1 140.0818 0.08
+  149.0708 C8H9N2O+ 1 149.0709 -1.16
+  153.0656 C7H9N2O2+ 1 153.0659 -1.79
+  153.1022 C8H13N2O+ 1 153.1022 -0.05
+  158.0958 C11H12N+ 1 158.0964 -3.85
+  162.0906 C8H10N4+ 2 162.09 3.7
+  170.0963 C12H12N+ 1 170.0964 -0.62
+  178.0974 C9H12N3O+ 1 178.0975 -0.58
+  179.1289 C9H15N4+ 1 179.1291 -1.18
+  186.0757 C8H12NO4+ 1 186.0761 -1.8
+  187.1228 C12H15N2+ 1 187.123 -1.04
+  195.1245 C9H15N4O+ 2 195.124 2.41
+  199.0717 C8H11N2O4+ 2 199.0713 1.73
+  215.118 C13H15N2O+ 2 215.1179 0.42
+  223.1192 C10H15N4O2+ 1 223.119 0.97
+  226.0864 C14H12NO2+ 2 226.0863 0.51
+  240.1463 C12H20N2O3+ 2 240.1468 -2.2
+  241.1295 C10H17N4O3+ 1 241.1295 -0.13
+  243.1129 C14H15N2O2+ 2 243.1128 0.27
+  257.1721 C10H21N6O2+ 2 257.1721 0.3
+  269.1128 C11H11N9+ 3 269.1132 -1.32
+  286.1393 C11H14N10+ 3 286.1397 -1.51
+  292.1336 C6H16N10O4+ 6 292.1351 -4.91
+  309.1611 C5H23N7O8+ 3 309.1603 2.86
+  338.1455 C14H20N5O5+ 4 338.1459 -1.22
+  425.2143 C18H29N6O6+ 6 425.2143 -0.06
+  760.414 C39H54N9O7+ 7 760.4141 -0.12
+PK$NUM_PEAK: 35
+PK$PEAK: m/z int. rel.int.
+  112.0868 4479788.5 183
+  113.0709 3050390 124
+  115.0863 1370797 56
+  119.0728 363021 14
+  120.0807 5537219.5 226
+  134.0963 24388158 999
+  138.0659 2375931 97
+  139.0976 331369.7 13
+  140.0818 418733.9 17
+  149.0708 296798.7 12
+  153.0656 376700.3 15
+  153.1022 368875.5 15
+  158.0958 908907.8 37
+  162.0906 1991389.5 81
+  170.0963 1310326.1 53
+  178.0974 303584.8 12
+  179.1289 453072.7 18
+  186.0757 1348830.4 55
+  187.1228 2526203 103
+  195.1245 965132 39
+  199.0717 965654.6 39
+  215.118 8631037 353
+  223.1192 6672816.5 273
+  226.0864 565723.9 23
+  240.1463 2819804.2 115
+  241.1295 2899328.8 118
+  243.1129 6665128 273
+  257.1721 722589.6 29
+  269.1128 1707887 69
+  286.1393 1140177.5 46
+  292.1336 4583965 187
+  309.1611 1001349.2 41
+  338.1455 2010530.4 82
+  425.2143 2352340.2 96
+  760.414 5591540 229
+//
diff --git a/Eawag/MSBNK-EAWAG-ED061606.txt b/Eawag/MSBNK-EAWAG-ED061606.txt
new file mode 100644
index 0000000000..55de4cc898
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED061606.txt
@@ -0,0 +1,129 @@
+ACCESSION: MSBNK-EAWAG-ED061606
+RECORD_TITLE: Cyanopeptolin CP962; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md16070220
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 616
+CH$NAME: Cyanopeptolin CP962
+CH$NAME: 3-butyramido-4-((2,5-dibenzyl-15-(3-guanidinopropyl)-21-hydroxy-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C47H66N10O12
+CH$EXACT_MASS: 962.4861676
+CH$SMILES: CCCC(NC(C(NC(C(NC(CCCNC(N)=N)C(NC1C(N(C(C(N(C(C(NC2C(C)C)=O)CC3=CC=CC=C3)C)=O)CC4=CC=CC=C4)C(O)CC1)=O)=O)=O)C(OC2=O)C)=O)CC(O)=O)=O
+CH$IUPAC: InChI=1S/C47H66N10O12/c1-6-14-35(58)51-32(25-37(60)61)41(63)55-39-27(4)69-46(68)38(26(2)3)54-42(64)33(23-28-15-9-7-10-16-28)56(5)45(67)34(24-29-17-11-8-12-18-29)57-36(59)21-20-31(44(57)66)53-40(62)30(52-43(39)65)19-13-22-50-47(48)49/h7-12,15-18,26-27,30-34,36,38-39,59H,6,13-14,19-25H2,1-5H3,(H,51,58)(H,52,65)(H,53,62)(H,54,64)(H,55,63)(H,60,61)(H4,48,49,50)
+CH$LINK: PUBCHEM CID:139590674
+CH$LINK: INCHIKEY GKSSZFHZBNEQFN-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 68003705
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 100-1004
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.041 min
+MS$FOCUSED_ION: BASE_PEAK 963.492
+MS$FOCUSED_ION: PRECURSOR_M/Z 963.4934
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0089-0920000000-a343a83422d03ee0f996
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  101.0709 C4H9N2O+ 1 101.0709 -0.14
+  105.0698 C8H9+ 1 105.0699 -0.81
+  111.0553 C5H7N2O+ 1 111.0553 0.44
+  112.0869 C5H10N3+ 1 112.0869 -0.42
+  113.0709 C5H9N2O+ 1 113.0709 -0.35
+  114.0546 C5H8NO2+ 1 114.055 -3.17
+  114.1026 C5H12N3+ 1 114.1026 -0.19
+  115.0865 C5H11N2O+ 1 115.0866 -0.39
+  119.073 C8H9N+ 1 119.073 0.13
+  120.0807 C8H10N+ 1 120.0808 -0.25
+  125.0711 C6H9N2O+ 1 125.0709 1.46
+  134.0963 C9H12N+ 1 134.0964 -0.76
+  136.039 C7H6NO2+ 1 136.0393 -1.92
+  138.0662 C6H8N3O+ 1 138.0662 0.13
+  140.0817 C6H10N3O+ 1 140.0818 -1.12
+  141.0658 C6H9N2O2+ 1 141.0659 -0.45
+  141.1021 C7H13N2O+ 1 141.1022 -0.84
+  146.0964 C10H12N+ 1 146.0964 -0.36
+  149.0708 C8H9N2O+ 1 149.0709 -0.96
+  150.1027 C8H12N3+ 1 150.1026 0.97
+  153.0657 C7H9N2O2+ 1 153.0659 -1.09
+  158.0963 C11H12N+ 1 158.0964 -0.96
+  160.0752 C10H10NO+ 1 160.0757 -2.91
+  162.0898 C8H10N4+ 1 162.09 -0.91
+  170.0963 C12H12N+ 1 170.0964 -0.62
+  178.0975 C9H12N3O+ 1 178.0975 0.19
+  179.1298 C9H15N4+ 2 179.1291 3.67
+  182.0927 C8H12N3O2+ 1 182.0924 1.59
+  186.0761 C8H12NO4+ 1 186.0761 0.33
+  187.1229 C12H15N2+ 1 187.123 -0.15
+  197.1037 C10H15NO3+ 2 197.1046 -4.64
+  199.0715 C8H11N2O4+ 1 199.0713 0.81
+  206.0924 C10H12N3O2+ 1 206.0924 0.08
+  208.1083 C10H14N3O2+ 1 208.1081 1.09
+  215.1179 C13H15N2O+ 2 215.1179 -0.08
+  216.0985 C8H14N3O4+ 3 216.0979 2.63
+  223.1203 C12H17NO3+ 1 223.1203 0.08
+  239.1178 C15H15N2O+ 4 239.1179 -0.33
+  241.1296 C10H17N4O3+ 1 241.1295 0.31
+  243.113 C14H15N2O2+ 2 243.1128 0.96
+  257.1721 C10H21N6O2+ 2 257.1721 0.3
+  268.1292 C12H18N3O4+ 2 268.1292 -0.05
+  292.1341 C6H16N10O4+ 4 292.1351 -3.13
+PK$NUM_PEAK: 43
+PK$PEAK: m/z int. rel.int.
+  101.0709 607380 18
+  105.0698 921173.9 28
+  111.0553 421212.8 13
+  112.0869 6167180.5 191
+  113.0709 5477756.5 169
+  114.0546 763828.4 23
+  114.1026 552153.2 17
+  115.0865 3084393.8 95
+  119.073 1175448.2 36
+  120.0807 14174104 439
+  125.0711 597916.8 18
+  134.0963 32240578 999
+  136.039 413629.7 12
+  138.0662 3152975.8 97
+  140.0817 972232.1 30
+  141.0658 402389.1 12
+  141.1021 650882.5 20
+  146.0964 2104054.2 65
+  149.0708 2330430.8 72
+  150.1027 474848.3 14
+  153.0657 1747378.9 54
+  158.0963 2853931.8 88
+  160.0752 458710.1 14
+  162.0898 2256105 69
+  170.0963 4955043 153
+  178.0975 1011351.9 31
+  179.1298 1073844.8 33
+  182.0927 551098.8 17
+  186.0761 1346189.1 41
+  187.1229 3084446.2 95
+  197.1037 2157876.5 66
+  199.0715 2435742 75
+  206.0924 402776.6 12
+  208.1083 619999.6 19
+  215.1179 7621127 236
+  216.0985 980409.8 30
+  223.1203 4097161.2 126
+  239.1178 869895.9 26
+  241.1296 2302896.5 71
+  243.113 1846215 57
+  257.1721 503924.1 15
+  268.1292 855261 26
+  292.1341 5348854.5 165
+//
diff --git a/Eawag/MSBNK-EAWAG-ED061607.txt b/Eawag/MSBNK-EAWAG-ED061607.txt
new file mode 100644
index 0000000000..d3bd77cea9
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED061607.txt
@@ -0,0 +1,153 @@
+ACCESSION: MSBNK-EAWAG-ED061607
+RECORD_TITLE: Cyanopeptolin CP962; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md16070220
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 616
+CH$NAME: Cyanopeptolin CP962
+CH$NAME: 3-butyramido-4-((2,5-dibenzyl-15-(3-guanidinopropyl)-21-hydroxy-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C47H66N10O12
+CH$EXACT_MASS: 962.4861676
+CH$SMILES: CCCC(NC(C(NC(C(NC(CCCNC(N)=N)C(NC1C(N(C(C(N(C(C(NC2C(C)C)=O)CC3=CC=CC=C3)C)=O)CC4=CC=CC=C4)C(O)CC1)=O)=O)=O)C(OC2=O)C)=O)CC(O)=O)=O
+CH$IUPAC: InChI=1S/C47H66N10O12/c1-6-14-35(58)51-32(25-37(60)61)41(63)55-39-27(4)69-46(68)38(26(2)3)54-42(64)33(23-28-15-9-7-10-16-28)56(5)45(67)34(24-29-17-11-8-12-18-29)57-36(59)21-20-31(44(57)66)53-40(62)30(52-43(39)65)19-13-22-50-47(48)49/h7-12,15-18,26-27,30-34,36,38-39,59H,6,13-14,19-25H2,1-5H3,(H,51,58)(H,52,65)(H,53,62)(H,54,64)(H,55,63)(H,60,61)(H4,48,49,50)
+CH$LINK: PUBCHEM CID:139590674
+CH$LINK: INCHIKEY GKSSZFHZBNEQFN-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 68003705
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 100-1004
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.041 min
+MS$FOCUSED_ION: BASE_PEAK 963.492
+MS$FOCUSED_ION: PRECURSOR_M/Z 963.4934
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0089-0900000000-ff4ec2ef1773eae0c9f7
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  101.0709 C4H9N2O+ 1 101.0709 0.02
+  103.0541 C8H7+ 1 103.0542 -1.1
+  105.0336 C7H5O+ 1 105.0335 0.65
+  105.0699 C8H9+ 1 105.0699 0.57
+  110.0604 C6H8NO+ 1 110.06 3.32
+  111.0548 C5H7N2O+ 1 111.0553 -4.44
+  112.0868 C5H10N3+ 1 112.0869 -1.1
+  113.0708 C5H9N2O+ 1 113.0709 -1.09
+  114.0549 C5H8NO2+ 1 114.055 -0.56
+  115.0864 C5H11N2O+ 1 115.0866 -1.38
+  118.065 C8H8N+ 1 118.0651 -0.72
+  119.0728 C8H9N+ 1 119.073 -1.41
+  120.0807 C8H10N+ 1 120.0808 -0.57
+  125.0707 C6H9N2O+ 1 125.0709 -2.26
+  134.0963 C9H12N+ 1 134.0964 -0.99
+  136.0392 C7H6NO2+ 1 136.0393 -0.46
+  137.071 C7H9N2O+ 1 137.0709 0.58
+  138.0662 C6H8N3O+ 1 138.0662 -0.09
+  139.098 C6H11N4+ 1 139.0978 1.38
+  140.0818 C6H10N3O+ 1 140.0818 -0.36
+  141.0659 C6H9N2O2+ 1 141.0659 -0.02
+  141.1019 C7H13N2O+ 1 141.1022 -2.35
+  146.0964 C10H12N+ 1 146.0964 -0.16
+  149.0707 C8H9N2O+ 1 149.0709 -1.37
+  150.1026 C8H12N3+ 1 150.1026 0.25
+  153.0659 C7H9N2O2+ 1 153.0659 0.6
+  153.1017 C8H13N2O+ 1 153.1022 -3.64
+  158.0812 C7H12NO3+ 1 158.0812 0.28
+  158.0961 C11H12N+ 1 158.0964 -1.83
+  160.0751 C10H10NO+ 2 160.0757 -3.58
+  165.1019 C9H13N2O+ 1 165.1022 -2.35
+  166.0974 C8H12N3O+ 1 166.0975 -0.63
+  168.0805 C12H10N+ 1 168.0808 -1.4
+  170.0961 C12H12N+ 1 170.0964 -1.79
+  178.0974 C9H12N3O+ 1 178.0975 -0.24
+  179.1288 C9H15N4+ 1 179.1291 -1.86
+  180.0776 C10H12O3+ 2 180.0781 -2.51
+  182.0925 C8H12N3O2+ 1 182.0924 0.5
+  186.0757 C8H12NO4+ 1 186.0761 -2.04
+  187.1228 C12H15N2+ 1 187.123 -0.96
+  197.1046 C10H15NO3+ 1 197.1046 -0.15
+  198.0907 C13H12NO+ 2 198.0913 -3.07
+  198.1241 C9H16N3O2+ 2 198.1237 2.25
+  199.0716 C8H11N2O4+ 1 199.0713 1.27
+  206.0929 C10H12N3O2+ 2 206.0924 2.23
+  208.1082 C10H14N3O2+ 1 208.1081 0.73
+  215.1179 C13H15N2O+ 2 215.1179 -0.15
+  216.0982 C8H14N3O4+ 3 216.0979 1.36
+  223.1209 C12H17NO3+ 1 223.1203 2.68
+  225.1342 C9H21O6+ 3 225.1333 4.31
+  239.1187 C2H23O12+ 4 239.1184 1.17
+  241.1295 C10H17N4O3+ 1 241.1295 0
+  272.1441 C6H20N6O6+ 4 272.1439 0.69
+  292.1347 C6H16N10O4+ 3 292.1351 -1.15
+  338.1458 C14H20N5O5+ 6 338.1459 -0.31
+PK$NUM_PEAK: 55
+PK$PEAK: m/z int. rel.int.
+  101.0709 758560.9 30
+  103.0541 799885.3 31
+  105.0336 471347.2 18
+  105.0699 1343320.6 53
+  110.0604 293910.2 11
+  111.0548 744350.4 29
+  112.0868 4947004 196
+  113.0708 3239851.8 128
+  114.0549 957797.9 38
+  115.0864 2469616.5 98
+  118.065 607678 24
+  119.0728 2129162.2 84
+  120.0807 12147032 482
+  125.0707 1172113.6 46
+  134.0963 25133074 999
+  136.0392 566379.4 22
+  137.071 388530.3 15
+  138.0662 2145960.8 85
+  139.098 316454 12
+  140.0818 834183.3 33
+  141.0659 611463.4 24
+  141.1019 535972.2 21
+  146.0964 1685610.5 67
+  149.0707 2649983.2 105
+  150.1026 809327.8 32
+  153.0659 2171589.5 86
+  153.1017 972629.9 38
+  158.0812 274308.5 10
+  158.0961 2655548.8 105
+  160.0751 824782.1 32
+  165.1019 338595.1 13
+  166.0974 434948.8 17
+  168.0805 632794.4 25
+  170.0961 5474529.5 217
+  178.0974 983112.1 39
+  179.1288 562046.3 22
+  180.0776 287601.8 11
+  182.0925 587636.6 23
+  186.0757 520839.9 20
+  187.1228 1113180.8 44
+  197.1046 1037296.9 41
+  198.0907 1119532.9 44
+  198.1241 538185.7 21
+  199.0716 1682803.2 66
+  206.0929 564213.8 22
+  208.1082 452248.1 17
+  215.1179 1990788.4 79
+  216.0982 613191.5 24
+  223.1209 1214520.9 48
+  225.1342 304943.9 12
+  239.1187 345768.9 13
+  241.1295 459181.8 18
+  272.1441 290230.8 11
+  292.1347 1878667.1 74
+  338.1458 332553.7 13
+//
diff --git a/Eawag/MSBNK-EAWAG-ED061608.txt b/Eawag/MSBNK-EAWAG-ED061608.txt
new file mode 100644
index 0000000000..7cc165ff3a
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED061608.txt
@@ -0,0 +1,133 @@
+ACCESSION: MSBNK-EAWAG-ED061608
+RECORD_TITLE: Cyanopeptolin CP962; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md16070220
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 616
+CH$NAME: Cyanopeptolin CP962
+CH$NAME: 3-butyramido-4-((2,5-dibenzyl-15-(3-guanidinopropyl)-21-hydroxy-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C47H66N10O12
+CH$EXACT_MASS: 962.4861676
+CH$SMILES: CCCC(NC(C(NC(C(NC(CCCNC(N)=N)C(NC1C(N(C(C(N(C(C(NC2C(C)C)=O)CC3=CC=CC=C3)C)=O)CC4=CC=CC=C4)C(O)CC1)=O)=O)=O)C(OC2=O)C)=O)CC(O)=O)=O
+CH$IUPAC: InChI=1S/C47H66N10O12/c1-6-14-35(58)51-32(25-37(60)61)41(63)55-39-27(4)69-46(68)38(26(2)3)54-42(64)33(23-28-15-9-7-10-16-28)56(5)45(67)34(24-29-17-11-8-12-18-29)57-36(59)21-20-31(44(57)66)53-40(62)30(52-43(39)65)19-13-22-50-47(48)49/h7-12,15-18,26-27,30-34,36,38-39,59H,6,13-14,19-25H2,1-5H3,(H,51,58)(H,52,65)(H,53,62)(H,54,64)(H,55,63)(H,60,61)(H4,48,49,50)
+CH$LINK: PUBCHEM CID:139590674
+CH$LINK: INCHIKEY GKSSZFHZBNEQFN-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 68003705
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 100-1004
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.041 min
+MS$FOCUSED_ION: BASE_PEAK 963.492
+MS$FOCUSED_ION: PRECURSOR_M/Z 963.4934
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0089-0900000000-1442edb546c8649902dd
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  103.0541 C8H7+ 1 103.0542 -1.47
+  105.0335 C7H5O+ 1 105.0335 -0.29
+  105.0698 C8H9+ 1 105.0699 -0.88
+  110.06 C6H8NO+ 1 110.06 -0.29
+  111.0552 C5H7N2O+ 1 111.0553 -1
+  112.0393 C5H6NO2+ 1 112.0393 -0.38
+  112.0867 C5H10N3+ 1 112.0869 -1.92
+  113.0708 C5H9N2O+ 1 113.0709 -0.95
+  114.0549 C5H8NO2+ 1 114.055 -0.76
+  114.1025 C5H12N3+ 1 114.1026 -0.99
+  115.0545 C9H7+ 1 115.0542 2.06
+  115.0865 C5H11N2O+ 1 115.0866 -0.65
+  118.0649 C8H8N+ 1 118.0651 -2.21
+  119.0729 C8H9N+ 1 119.073 -0.64
+  120.0807 C8H10N+ 1 120.0808 -0.76
+  125.0709 C6H9N2O+ 1 125.0709 -0.67
+  132.0806 C9H10N+ 1 132.0808 -1.03
+  134.0963 C9H12N+ 1 134.0964 -1.21
+  136.0389 C7H6NO2+ 1 136.0393 -3.15
+  137.0706 C7H9N2O+ 1 137.0709 -2.65
+  138.0546 C7H8NO2+ 1 138.055 -2.61
+  138.0661 C6H8N3O+ 1 138.0662 -0.64
+  138.0911 C8H12NO+ 1 138.0913 -1.46
+  139.086 C7H11N2O+ 1 139.0866 -4.42
+  141.0662 C6H9N2O2+ 1 141.0659 2.58
+  143.0849 C11H11+ 1 143.0855 -4.69
+  144.0802 C10H10N+ 1 144.0808 -3.67
+  146.0966 C10H12N+ 1 146.0964 0.89
+  149.0708 C8H9N2O+ 1 149.0709 -1.27
+  150.1024 C8H12N3+ 1 150.1026 -1.27
+  152.0817 C7H10N3O+ 1 152.0818 -0.79
+  153.0661 C7H9N2O2+ 1 153.0659 1.3
+  153.1015 C8H13N2O+ 2 153.1022 -4.54
+  157.1081 C6H13N4O+ 1 157.1084 -1.76
+  158.0962 C11H12N+ 1 158.0964 -1.15
+  168.0808 C12H10N+ 1 168.0808 0.14
+  170.0962 C12H12N+ 1 170.0964 -1.34
+  180.0774 C10H12O3+ 2 180.0781 -3.7
+  180.1126 C9H14N3O+ 2 180.1131 -3.24
+  181.0965 C9H13N2O2+ 2 181.0972 -3.83
+  182.0926 C8H12N3O2+ 1 182.0924 1.26
+  187.1227 C12H15N2+ 1 187.123 -1.7
+  198.0906 C13H12NO+ 2 198.0913 -3.76
+  199.0712 C8H11N2O4+ 1 199.0713 -0.72
+  215.1181 C13H15N2O+ 2 215.1179 1.05
+PK$NUM_PEAK: 45
+PK$PEAK: m/z int. rel.int.
+  103.0541 1644057 67
+  105.0335 813208.3 33
+  105.0698 2133881 87
+  110.06 835960.1 34
+  111.0552 1506829.5 61
+  112.0393 449838.1 18
+  112.0867 4437562.5 180
+  113.0708 2096982 85
+  114.0549 880877.8 35
+  114.1025 402521 16
+  115.0545 322380.5 13
+  115.0865 1990808.1 81
+  118.0649 1527399.8 62
+  119.0729 3645245.5 148
+  120.0807 11245208 458
+  125.0709 1760021.5 71
+  132.0806 622142.4 25
+  134.0963 24497284 999
+  136.0389 879346.1 35
+  137.0706 697436.4 28
+  138.0546 309426.5 12
+  138.0661 1715187.4 69
+  138.0911 475647.5 19
+  139.086 255988.7 10
+  141.0662 671504.9 27
+  143.0849 343766.4 14
+  144.0802 567647.1 23
+  146.0966 1427523.8 58
+  149.0708 2890532.2 117
+  150.1024 879442.9 35
+  152.0817 416804.5 16
+  153.0661 2279418 92
+  153.1015 956339.5 38
+  157.1081 372939 15
+  158.0962 1939486.2 79
+  168.0808 1391243.1 56
+  170.0962 5530217.5 225
+  180.0774 258207.8 10
+  180.1126 422554.7 17
+  181.0965 777811.8 31
+  182.0926 332851.8 13
+  187.1227 451912.1 18
+  198.0906 873897.6 35
+  199.0712 618598.4 25
+  215.1181 549829.6 22
+//
diff --git a/Eawag/MSBNK-EAWAG-ED061609.txt b/Eawag/MSBNK-EAWAG-ED061609.txt
new file mode 100644
index 0000000000..ef3ec485d6
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED061609.txt
@@ -0,0 +1,121 @@
+ACCESSION: MSBNK-EAWAG-ED061609
+RECORD_TITLE: Cyanopeptolin CP962; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md16070220
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 616
+CH$NAME: Cyanopeptolin CP962
+CH$NAME: 3-butyramido-4-((2,5-dibenzyl-15-(3-guanidinopropyl)-21-hydroxy-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C47H66N10O12
+CH$EXACT_MASS: 962.4861676
+CH$SMILES: CCCC(NC(C(NC(C(NC(CCCNC(N)=N)C(NC1C(N(C(C(N(C(C(NC2C(C)C)=O)CC3=CC=CC=C3)C)=O)CC4=CC=CC=C4)C(O)CC1)=O)=O)=O)C(OC2=O)C)=O)CC(O)=O)=O
+CH$IUPAC: InChI=1S/C47H66N10O12/c1-6-14-35(58)51-32(25-37(60)61)41(63)55-39-27(4)69-46(68)38(26(2)3)54-42(64)33(23-28-15-9-7-10-16-28)56(5)45(67)34(24-29-17-11-8-12-18-29)57-36(59)21-20-31(44(57)66)53-40(62)30(52-43(39)65)19-13-22-50-47(48)49/h7-12,15-18,26-27,30-34,36,38-39,59H,6,13-14,19-25H2,1-5H3,(H,51,58)(H,52,65)(H,53,62)(H,54,64)(H,55,63)(H,60,61)(H4,48,49,50)
+CH$LINK: PUBCHEM CID:139590674
+CH$LINK: INCHIKEY GKSSZFHZBNEQFN-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 68003705
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 100-1004
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.041 min
+MS$FOCUSED_ION: BASE_PEAK 963.492
+MS$FOCUSED_ION: PRECURSOR_M/Z 963.4934
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0089-0900000000-f84a66ae165be1bf976f
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  101.0711 C4H9N2O+ 1 101.0709 1.22
+  103.0542 C8H7+ 1 103.0542 -0.73
+  105.0336 C7H5O+ 1 105.0335 0.94
+  105.0698 C8H9+ 1 105.0699 -0.74
+  108.0807 C7H10N+ 1 108.0808 -0.37
+  110.0601 C6H8NO+ 1 110.06 0.34
+  111.0552 C5H7N2O+ 1 111.0553 -1.07
+  111.0919 C6H11N2+ 1 111.0917 1.94
+  112.0393 C5H6NO2+ 1 112.0393 -0.25
+  112.0868 C5H10N3+ 1 112.0869 -0.83
+  113.071 C5H9N2O+ 1 113.0709 0.13
+  114.0549 C5H8NO2+ 1 114.055 -0.56
+  115.0541 C9H7+ 1 115.0542 -1.06
+  115.0865 C5H11N2O+ 1 115.0866 -0.98
+  118.065 C8H8N+ 1 118.0651 -0.91
+  119.0728 C8H9N+ 1 119.073 -1.09
+  120.0807 C8H10N+ 1 120.0808 -1.02
+  121.0757 C7H9N2+ 1 121.076 -2.86
+  124.0869 C6H10N3+ 1 124.0869 -0.33
+  125.0709 C6H9N2O+ 1 125.0709 -0.31
+  130.0652 C9H8N+ 1 130.0651 0.6
+  132.0809 C9H10N+ 1 132.0808 0.59
+  134.0963 C9H12N+ 1 134.0964 -1.21
+  137.071 C7H9N2O+ 1 137.0709 0.69
+  138.0549 C7H8NO2+ 1 138.055 -0.4
+  138.0661 C6H8N3O+ 1 138.0662 -0.75
+  138.0909 C8H12NO+ 1 138.0913 -2.89
+  146.0961 C10H12N+ 1 146.0964 -2.24
+  149.0707 C8H9N2O+ 1 149.0709 -1.47
+  150.1025 C8H12N3+ 1 150.1026 -0.66
+  153.1021 C8H13N2O+ 1 153.1022 -0.65
+  158.0963 C11H12N+ 1 158.0964 -1.05
+  160.075 C10H10NO+ 2 160.0757 -4.05
+  162.1033 C9H12N3+ 2 162.1026 4.53
+  168.0805 C12H10N+ 1 168.0808 -1.58
+  170.0961 C12H12N+ 1 170.0964 -1.79
+  178.097 C9H12N3O+ 2 178.0975 -2.73
+  181.0972 C9H13N2O2+ 1 181.0972 0.29
+  198.0913 C13H12NO+ 1 198.0913 -0.14
+PK$NUM_PEAK: 39
+PK$PEAK: m/z int. rel.int.
+  101.0711 332984.4 18
+  103.0542 3035891.5 166
+  105.0336 612752 33
+  105.0698 3073944 168
+  108.0807 288504.7 15
+  110.0601 967868.6 53
+  111.0552 1958920.9 107
+  111.0919 216963.1 11
+  112.0393 509581.7 28
+  112.0868 3035525.8 166
+  113.071 1101212.4 60
+  114.0549 559141 30
+  115.0541 393540 21
+  115.0865 1582605.5 86
+  118.065 1857928 102
+  119.0728 5918833.5 325
+  120.0807 9356282 514
+  121.0757 309528.5 17
+  124.0869 336195.8 18
+  125.0709 1989591.8 109
+  130.0652 586348.2 32
+  132.0809 570956.7 31
+  134.0963 18174248 999
+  137.071 539198.5 29
+  138.0549 260611.2 14
+  138.0661 1050566.4 57
+  138.0909 417789.8 22
+  146.0961 576769.2 31
+  149.0707 2704700.8 148
+  150.1025 1022769.8 56
+  153.1021 495066.6 27
+  158.0963 1012604.1 55
+  160.075 398126.6 21
+  162.1033 214478.6 11
+  168.0805 1469580.9 80
+  170.0961 3727644.5 204
+  178.097 434382.2 23
+  181.0972 193456.5 10
+  198.0913 535807.9 29
+//
diff --git a/Eawag/MSBNK-EAWAG-ED061651.txt b/Eawag/MSBNK-EAWAG-ED061651.txt
new file mode 100644
index 0000000000..e88bfed646
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED061651.txt
@@ -0,0 +1,49 @@
+ACCESSION: MSBNK-EAWAG-ED061651
+RECORD_TITLE: Cyanopeptolin CP962; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md16070220
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 616
+CH$NAME: Cyanopeptolin CP962
+CH$NAME: 3-butyramido-4-((2,5-dibenzyl-15-(3-guanidinopropyl)-21-hydroxy-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C47H66N10O12
+CH$EXACT_MASS: 962.4861676
+CH$SMILES: CCCC(NC(C(NC(C(NC(CCCNC(N)=N)C(NC1C(N(C(C(N(C(C(NC2C(C)C)=O)CC3=CC=CC=C3)C)=O)CC4=CC=CC=C4)C(O)CC1)=O)=O)=O)C(OC2=O)C)=O)CC(O)=O)=O
+CH$IUPAC: InChI=1S/C47H66N10O12/c1-6-14-35(58)51-32(25-37(60)61)41(63)55-39-27(4)69-46(68)38(26(2)3)54-42(64)33(23-28-15-9-7-10-16-28)56(5)45(67)34(24-29-17-11-8-12-18-29)57-36(59)21-20-31(44(57)66)53-40(62)30(52-43(39)65)19-13-22-50-47(48)49/h7-12,15-18,26-27,30-34,36,38-39,59H,6,13-14,19-25H2,1-5H3,(H,51,58)(H,52,65)(H,53,62)(H,54,64)(H,55,63)(H,60,61)(H4,48,49,50)
+CH$LINK: PUBCHEM CID:139590674
+CH$LINK: INCHIKEY GKSSZFHZBNEQFN-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 68003705
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 100-1002
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.028 min
+MS$FOCUSED_ION: BASE_PEAK 961.4803
+MS$FOCUSED_ION: PRECURSOR_M/Z 961.4789
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-03di-0000000009-bd456e30cd29e6ebd551
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  856.3997 C43H54N9O10- 4 856.3999 -0.27
+  943.4677 C47H63N10O11- 1 943.4683 -0.66
+  961.479 C47H65N10O12- 1 961.4789 0.11
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  856.3997 1532966.9 24
+  943.4677 5264185.5 82
+  961.479 63711848 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED061652.txt b/Eawag/MSBNK-EAWAG-ED061652.txt
new file mode 100644
index 0000000000..87633b2274
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED061652.txt
@@ -0,0 +1,59 @@
+ACCESSION: MSBNK-EAWAG-ED061652
+RECORD_TITLE: Cyanopeptolin CP962; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md16070220
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 616
+CH$NAME: Cyanopeptolin CP962
+CH$NAME: 3-butyramido-4-((2,5-dibenzyl-15-(3-guanidinopropyl)-21-hydroxy-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C47H66N10O12
+CH$EXACT_MASS: 962.4861676
+CH$SMILES: CCCC(NC(C(NC(C(NC(CCCNC(N)=N)C(NC1C(N(C(C(N(C(C(NC2C(C)C)=O)CC3=CC=CC=C3)C)=O)CC4=CC=CC=C4)C(O)CC1)=O)=O)=O)C(OC2=O)C)=O)CC(O)=O)=O
+CH$IUPAC: InChI=1S/C47H66N10O12/c1-6-14-35(58)51-32(25-37(60)61)41(63)55-39-27(4)69-46(68)38(26(2)3)54-42(64)33(23-28-15-9-7-10-16-28)56(5)45(67)34(24-29-17-11-8-12-18-29)57-36(59)21-20-31(44(57)66)53-40(62)30(52-43(39)65)19-13-22-50-47(48)49/h7-12,15-18,26-27,30-34,36,38-39,59H,6,13-14,19-25H2,1-5H3,(H,51,58)(H,52,65)(H,53,62)(H,54,64)(H,55,63)(H,60,61)(H4,48,49,50)
+CH$LINK: PUBCHEM CID:139590674
+CH$LINK: INCHIKEY GKSSZFHZBNEQFN-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 68003705
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 100-1002
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.028 min
+MS$FOCUSED_ION: BASE_PEAK 961.4803
+MS$FOCUSED_ION: PRECURSOR_M/Z 961.4789
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-03dl-0000010009-f01b52783b043b2ff454
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  565.2526 C27H33N8O6- 7 565.2529 -0.38
+  583.263 C41H33N3O- 9 583.2629 0.12
+  670.3316 C31H44N9O8- 12 670.3318 -0.34
+  768.3832 C43H48N10O4- 7 768.3865 -4.4
+  776.4101 C39H54N9O8- 6 776.4101 0.08
+  856.3992 C43H54N9O10- 4 856.3999 -0.84
+  943.4681 C47H63N10O11- 1 943.4683 -0.28
+  961.4784 C47H65N10O12- 1 961.4789 -0.46
+PK$NUM_PEAK: 8
+PK$PEAK: m/z int. rel.int.
+  565.2526 1256466.4 41
+  583.263 4239854.5 141
+  670.3316 2033255 67
+  768.3832 1497618.6 49
+  776.4101 1070001.2 35
+  856.3992 4865087.5 162
+  943.4681 18634784 620
+  961.4784 29998652 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED061653.txt b/Eawag/MSBNK-EAWAG-ED061653.txt
new file mode 100644
index 0000000000..e247d20c15
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED061653.txt
@@ -0,0 +1,77 @@
+ACCESSION: MSBNK-EAWAG-ED061653
+RECORD_TITLE: Cyanopeptolin CP962; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md16070220
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 616
+CH$NAME: Cyanopeptolin CP962
+CH$NAME: 3-butyramido-4-((2,5-dibenzyl-15-(3-guanidinopropyl)-21-hydroxy-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C47H66N10O12
+CH$EXACT_MASS: 962.4861676
+CH$SMILES: CCCC(NC(C(NC(C(NC(CCCNC(N)=N)C(NC1C(N(C(C(N(C(C(NC2C(C)C)=O)CC3=CC=CC=C3)C)=O)CC4=CC=CC=C4)C(O)CC1)=O)=O)=O)C(OC2=O)C)=O)CC(O)=O)=O
+CH$IUPAC: InChI=1S/C47H66N10O12/c1-6-14-35(58)51-32(25-37(60)61)41(63)55-39-27(4)69-46(68)38(26(2)3)54-42(64)33(23-28-15-9-7-10-16-28)56(5)45(67)34(24-29-17-11-8-12-18-29)57-36(59)21-20-31(44(57)66)53-40(62)30(52-43(39)65)19-13-22-50-47(48)49/h7-12,15-18,26-27,30-34,36,38-39,59H,6,13-14,19-25H2,1-5H3,(H,51,58)(H,52,65)(H,53,62)(H,54,64)(H,55,63)(H,60,61)(H4,48,49,50)
+CH$LINK: PUBCHEM CID:139590674
+CH$LINK: INCHIKEY GKSSZFHZBNEQFN-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 68003705
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 100-1002
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.028 min
+MS$FOCUSED_ION: BASE_PEAK 961.4803
+MS$FOCUSED_ION: PRECURSOR_M/Z 961.4789
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-052f-0000030159-99a87f473f67d0b29e4f
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  379.1728 C15H27N2O9- 3 379.1722 1.57
+  541.2421 C26H33N6O7- 9 541.2416 0.88
+  565.2523 C27H33N8O6- 8 565.2529 -1.03
+  583.2632 C41H33N3O- 8 583.2629 0.43
+  670.3319 C31H44N9O8- 12 670.3318 0.03
+  693.3722 C34H53N4O11- 10 693.3716 0.83
+  739.3222 C40H45N5O9- 6 739.3223 -0.13
+  768.3832 C43H48N10O4- 7 768.3865 -4.4
+  776.4099 C39H54N9O8- 6 776.4101 -0.23
+  814.3779 C42H52N7O10- 6 814.3781 -0.3
+  839.3735 C43H51N8O10- 5 839.3734 0.15
+  856.3995 C43H54N9O10- 4 856.3999 -0.49
+  857.4031 C47H53N8O8- 1 857.3992 4.56
+  901.4461 C46H61N8O11- 1 901.4465 -0.43
+  926.4422 C47H60N9O11- 1 926.4418 0.5
+  943.4684 C47H63N10O11- 1 943.4683 0.11
+  961.4784 C47H65N10O12- 1 961.4789 -0.52
+PK$NUM_PEAK: 17
+PK$PEAK: m/z int. rel.int.
+  379.1728 447890.3 22
+  541.2421 413124 20
+  565.2523 2358495.2 116
+  583.2632 7454808.5 367
+  670.3319 587738.7 29
+  693.3722 689396.1 34
+  739.3222 307759.5 15
+  768.3832 2095938.9 103
+  776.4099 2561531.5 126
+  814.3779 376703.8 18
+  839.3735 636484.4 31
+  856.3995 15698439 774
+  857.4031 1040840.9 51
+  901.4461 495394.1 24
+  926.4422 575898.8 28
+  943.4684 20237550 999
+  961.4784 6463837.5 319
+//
diff --git a/Eawag/MSBNK-EAWAG-ED061654.txt b/Eawag/MSBNK-EAWAG-ED061654.txt
new file mode 100644
index 0000000000..a83827ef62
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED061654.txt
@@ -0,0 +1,97 @@
+ACCESSION: MSBNK-EAWAG-ED061654
+RECORD_TITLE: Cyanopeptolin CP962; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md16070220
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 616
+CH$NAME: Cyanopeptolin CP962
+CH$NAME: 3-butyramido-4-((2,5-dibenzyl-15-(3-guanidinopropyl)-21-hydroxy-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C47H66N10O12
+CH$EXACT_MASS: 962.4861676
+CH$SMILES: CCCC(NC(C(NC(C(NC(CCCNC(N)=N)C(NC1C(N(C(C(N(C(C(NC2C(C)C)=O)CC3=CC=CC=C3)C)=O)CC4=CC=CC=C4)C(O)CC1)=O)=O)=O)C(OC2=O)C)=O)CC(O)=O)=O
+CH$IUPAC: InChI=1S/C47H66N10O12/c1-6-14-35(58)51-32(25-37(60)61)41(63)55-39-27(4)69-46(68)38(26(2)3)54-42(64)33(23-28-15-9-7-10-16-28)56(5)45(67)34(24-29-17-11-8-12-18-29)57-36(59)21-20-31(44(57)66)53-40(62)30(52-43(39)65)19-13-22-50-47(48)49/h7-12,15-18,26-27,30-34,36,38-39,59H,6,13-14,19-25H2,1-5H3,(H,51,58)(H,52,65)(H,53,62)(H,54,64)(H,55,63)(H,60,61)(H4,48,49,50)
+CH$LINK: PUBCHEM CID:139590674
+CH$LINK: INCHIKEY GKSSZFHZBNEQFN-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 68003705
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 100-1002
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.028 min
+MS$FOCUSED_ION: BASE_PEAK 961.4803
+MS$FOCUSED_ION: PRECURSOR_M/Z 961.4789
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0a4i-0000010192-1afb81bb52bd315be111
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  124.051 C5H6N3O- 1 124.0516 -4.93
+  135.056 C7H7N2O- 1 135.0564 -2.51
+  179.0454 C6H5N5O2- 2 179.0449 3.1
+  221.0672 C8H13O7- 3 221.0667 2.54
+  238.0933 C8H16NO7- 2 238.0932 0.37
+  251.114 C11H15N4O3- 3 251.115 -3.69
+  277.1547 C15H21N2O3- 2 277.1558 -4
+  337.1521 C16H17N8O- 7 337.1531 -3.01
+  424.2231 C24H30N3O4- 5 424.2242 -2.45
+  519.2611 C29H35N4O5- 9 519.2613 -0.28
+  541.2415 C26H33N6O7- 8 541.2416 -0.25
+  565.2523 C27H33N8O6- 8 565.2529 -0.92
+  676.3459 C35H46N7O7- 10 676.3464 -0.78
+  693.3728 C35H49N8O7- 9 693.373 -0.3
+  739.3229 C40H45N5O9- 8 739.3223 0.78
+  768.3835 C43H48N10O4- 7 768.3865 -3.92
+  776.41 C39H54N9O8- 6 776.4101 -0.15
+  812.4041 C39H56N8O11- 4 812.4074 -4.04
+  814.3782 C42H52N7O10- 6 814.3781 0.15
+  838.3906 C45H54N6O10- 5 838.3907 -0.14
+  839.3731 C43H51N8O10- 5 839.3734 -0.29
+  856.3997 C43H54N9O10- 4 856.3999 -0.2
+  857.4021 C47H53N8O8- 2 857.3992 3.35
+  901.4465 C46H61N8O11- 1 901.4465 -0.02
+  926.4432 C47H60N9O11- 1 926.4418 1.49
+  943.4684 C47H63N10O11- 1 943.4683 0.05
+  961.4783 C47H65N10O12- 1 961.4789 -0.65
+PK$NUM_PEAK: 27
+PK$PEAK: m/z int. rel.int.
+  124.051 170097.6 10
+  135.056 178976.3 11
+  179.0454 567537.8 35
+  221.0672 230724.5 14
+  238.0933 236675.5 14
+  251.114 531582.1 32
+  277.1547 354327.5 21
+  337.1521 176135.5 10
+  424.2231 244533.5 15
+  519.2611 821435.2 50
+  541.2415 775005.9 48
+  565.2523 1423389.2 88
+  676.3459 278717.8 17
+  693.3728 1852561.1 114
+  739.3229 298206.8 18
+  768.3835 903904.4 56
+  776.41 2410263.5 149
+  812.4041 608525.9 37
+  814.3782 1226505.8 76
+  838.3906 292943.3 18
+  839.3731 1832886.1 113
+  856.3997 16102230 999
+  857.4021 1137013.5 70
+  901.4465 284923.1 17
+  926.4432 331833.7 20
+  943.4684 4180454.8 259
+  961.4783 553669.6 34
+//
diff --git a/Eawag/MSBNK-EAWAG-ED061655.txt b/Eawag/MSBNK-EAWAG-ED061655.txt
new file mode 100644
index 0000000000..25c0d0b5f1
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED061655.txt
@@ -0,0 +1,231 @@
+ACCESSION: MSBNK-EAWAG-ED061655
+RECORD_TITLE: Cyanopeptolin CP962; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md16070220
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 616
+CH$NAME: Cyanopeptolin CP962
+CH$NAME: 3-butyramido-4-((2,5-dibenzyl-15-(3-guanidinopropyl)-21-hydroxy-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C47H66N10O12
+CH$EXACT_MASS: 962.4861676
+CH$SMILES: CCCC(NC(C(NC(C(NC(CCCNC(N)=N)C(NC1C(N(C(C(N(C(C(NC2C(C)C)=O)CC3=CC=CC=C3)C)=O)CC4=CC=CC=C4)C(O)CC1)=O)=O)=O)C(OC2=O)C)=O)CC(O)=O)=O
+CH$IUPAC: InChI=1S/C47H66N10O12/c1-6-14-35(58)51-32(25-37(60)61)41(63)55-39-27(4)69-46(68)38(26(2)3)54-42(64)33(23-28-15-9-7-10-16-28)56(5)45(67)34(24-29-17-11-8-12-18-29)57-36(59)21-20-31(44(57)66)53-40(62)30(52-43(39)65)19-13-22-50-47(48)49/h7-12,15-18,26-27,30-34,36,38-39,59H,6,13-14,19-25H2,1-5H3,(H,51,58)(H,52,65)(H,53,62)(H,54,64)(H,55,63)(H,60,61)(H4,48,49,50)
+CH$LINK: PUBCHEM CID:139590674
+CH$LINK: INCHIKEY GKSSZFHZBNEQFN-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 68003705
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 100-1002
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.028 min
+MS$FOCUSED_ION: BASE_PEAK 961.4803
+MS$FOCUSED_ION: PRECURSOR_M/Z 961.4789
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-05r3-0951001000-da08bb63aa3070c4d6c3
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  109.0405 C5H5N2O- 1 109.0407 -1.71
+  110.0249 C5H4NO2- 1 110.0248 1.04
+  111.0564 C5H7N2O- 1 111.0564 -0.14
+  112.0405 C5H6NO2- 1 112.0404 0.58
+  113.0355 C4H5N2O2- 1 113.0357 -1.17
+  116.0717 C5H10NO2- 1 116.0717 0
+  122.061 C7H8NO- 1 122.0611 -1.07
+  122.0719 C6H8N3- 1 122.0724 -4.16
+  123.0451 C7H7O2- 1 123.0452 -0.43
+  123.0564 C6H7N2O- 1 123.0564 -0.08
+  124.0403 C6H6NO2- 1 124.0404 -0.54
+  124.0517 C5H6N3O- 1 124.0516 0.67
+  125.0355 C5H5N2O2- 1 125.0357 -1.26
+  126.0671 C5H8N3O- 1 126.0673 -1.25
+  127.0513 C5H7N2O2- 1 127.0513 -0.07
+  131.0502 C9H7O- 1 131.0502 -0.03
+  135.0562 C7H7N2O- 1 135.0564 -1.15
+  136.0402 C7H6NO2- 1 136.0404 -1.83
+  136.0516 C6H6N3O- 1 136.0516 -0.51
+  136.0763 C8H10NO- 1 136.0768 -3.8
+  137.0354 C6H5N2O2- 1 137.0357 -2.08
+  138.0556 C7H8NO2- 1 138.0561 -3.28
+  138.0673 C6H8N3O- 1 138.0673 0.46
+  139.0513 C6H7N2O2- 1 139.0513 -0.35
+  140.035 C6H6NO3- 1 140.0353 -2.45
+  140.0715 C7H10NO2- 1 140.0717 -1.65
+  140.0832 C6H10N3O- 1 140.0829 1.6
+  141.103 C7H13N2O- 1 141.1033 -2.18
+  142.0508 C6H8NO3- 1 142.051 -1.48
+  146.0607 C9H8NO- 1 146.0611 -2.97
+  148.04 C8H6NO2- 1 148.0404 -2.61
+  149.0718 C8H9N2O- 1 149.072 -1.58
+  150.0673 C7H8N3O- 1 150.0673 0.42
+  151.0508 C7H7N2O2- 1 151.0513 -3.04
+  152.0346 C5H4N4O2- 2 152.034 3.88
+  152.0829 C7H10N3O- 1 152.0829 -0.21
+  153.0302 C6H5N2O3- 1 153.0306 -2.37
+  153.0666 C7H9N2O2- 1 153.067 -2.13
+  154.0626 C6H8N3O2- 1 154.0622 2.79
+  155.094 C6H11N4O- 1 155.0938 1.29
+  156.0774 C6H10N3O2- 1 156.0779 -3.04
+  158.0605 C10H8NO- 2 158.0611 -4
+  160.0763 C10H10NO- 1 160.0768 -3.29
+  165.0665 C8H9N2O2- 1 165.067 -2.54
+  165.1027 C9H13N2O- 2 165.1033 -4.08
+  166.0982 C8H12N3O- 1 166.0986 -2.34
+  168.0774 C7H10N3O2- 1 168.0779 -2.81
+  170.093 C7H12N3O2- 2 170.0935 -3.05
+  174.0558 C10H8NO2- 1 174.0561 -1.2
+  178.0867 C10H12NO2- 2 178.0874 -3.41
+  179.0454 C6H5N5O2- 2 179.0449 3.19
+  185.0714 C11H9N2O- 2 185.072 -3.58
+  186.0549 C9H6N4O- 1 186.0547 1.28
+  187.1193 C6H19O6- 3 187.1187 3.31
+  194.1052 C8H12N5O- 2 194.1047 2.41
+  195.0881 C8H11N4O2- 3 195.0887 -3.3
+  196.1073 C7H12N6O- 3 196.1078 -2.38
+  202.1227 C11H14N4- 2 202.1224 1.67
+  203.0813 C9H9N5O- 1 203.0813 0.27
+  204.1134 C9H12N6- 2 204.1129 2.32
+  206.1287 C9H14N6- 1 206.1285 0.79
+  212.1146 C7H18NO6- 3 212.114 2.98
+  213.0981 C7H17O7- 2 213.098 0.41
+  213.1354 C9H17N4O2- 3 213.1357 -1.53
+  216.0893 C10H10N5O- 2 216.0891 1.21
+  221.0672 C8H13O7- 3 221.0667 2.2
+  221.1032 C9H17O6- 2 221.1031 0.84
+  229.1409 C7H21N2O6- 3 229.1405 1.67
+  232.1081 C10H12N6O- 2 232.1078 1.1
+  238.0936 C8H16NO7- 3 238.0932 1.46
+  238.1296 C8H14N8O- 2 238.1296 -0.02
+  243.0771 C13H11N2O3- 2 243.0775 -1.91
+  249.0992 C11H13N4O3- 1 249.0993 -0.31
+  251.1139 C11H15N4O3- 3 251.115 -4.3
+  255.1201 C8H19N2O7- 3 255.1198 1.42
+  260.1033 C11H12N6O2- 2 260.1027 2.36
+  267.1097 C11H15N4O4- 3 267.1099 -0.8
+  269.1294 C14H15N5O- 5 269.1282 4.48
+  271.1077 C15H15N2O3- 2 271.1088 -4.26
+  272.1405 C15H18N3O2- 4 272.1405 0.19
+  274.1285 C10H18N4O5- 3 274.1283 0.69
+  277.155 C15H21N2O3- 3 277.1558 -2.9
+  289.1341 C4H23N3O11- 6 289.1338 0.95
+  307.1446 C4H25N3O12- 5 307.1444 0.69
+  337.152 C16H17N8O- 7 337.1531 -3.1
+  379.1725 C15H27N2O9- 4 379.1722 0.77
+  424.2238 C24H30N3O4- 5 424.2242 -1.01
+  446.2523 C22H38O9- 6 446.2521 0.45
+  519.2613 C29H35N4O5- 7 519.2613 0.07
+  541.2421 C26H33N6O7- 9 541.2416 0.88
+  676.3462 C35H46N7O7- 10 676.3464 -0.33
+  693.3724 C35H49N8O7- 10 693.373 -0.83
+  814.3782 C42H52N7O10- 6 814.3781 0.08
+  856.3988 C43H54N9O10- 4 856.3999 -1.34
+PK$NUM_PEAK: 94
+PK$PEAK: m/z int. rel.int.
+  109.0405 51150.3 40
+  110.0249 237706.6 188
+  111.0564 116383.6 92
+  112.0405 67598 53
+  113.0355 84186.2 66
+  116.0717 1095820.5 870
+  122.061 121324.4 96
+  122.0719 28505.9 22
+  123.0451 117061.3 92
+  123.0564 76264.7 60
+  124.0403 175801.4 139
+  124.0517 296937.3 235
+  125.0355 210066.1 166
+  126.0671 25967.7 20
+  127.0513 144003.8 114
+  131.0502 52422.4 41
+  135.0562 893746.3 709
+  136.0402 222005 176
+  136.0516 31240.8 24
+  136.0763 81574.2 64
+  137.0354 57942.9 46
+  138.0556 48812 38
+  138.0673 29504.6 23
+  139.0513 46787.7 37
+  140.035 250370.6 198
+  140.0715 34955.1 27
+  140.0832 32212.5 25
+  141.103 136916.2 108
+  142.0508 142336.1 113
+  146.0607 288369.2 229
+  148.04 39562 31
+  149.0718 23830.3 18
+  150.0673 42706.6 33
+  151.0508 46058.3 36
+  152.0346 36407.8 28
+  152.0829 88382.4 70
+  153.0302 95675 75
+  153.0666 142449.8 113
+  154.0626 39082.4 31
+  155.094 43004.4 34
+  156.0774 146651 116
+  158.0605 33350.8 26
+  160.0763 798436.1 634
+  165.0665 53891 42
+  165.1027 281319.7 223
+  166.0982 60746.6 48
+  168.0774 62027.8 49
+  170.093 139914.2 111
+  174.0558 26682.1 21
+  178.0867 90329.6 71
+  179.0454 722743.7 573
+  185.0714 42140.7 33
+  186.0549 104950.3 83
+  187.1193 100628.7 79
+  194.1052 92472.9 73
+  195.0881 395523.5 314
+  196.1073 107342.3 85
+  202.1227 527277.3 418
+  203.0813 309056.4 245
+  204.1134 34320.8 27
+  206.1287 32248.2 25
+  212.1146 247620.3 196
+  213.0981 84624.5 67
+  213.1354 54811 43
+  216.0893 146063.8 115
+  221.0672 184895.2 146
+  221.1032 92893.6 73
+  229.1409 215066.5 170
+  232.1081 138991.4 110
+  238.0936 124870.4 99
+  238.1296 168429.2 133
+  243.0771 70603.6 56
+  249.0992 39477.4 31
+  251.1139 425121.2 337
+  255.1201 55974.8 44
+  260.1033 359002.9 285
+  267.1097 76001.6 60
+  269.1294 94058 74
+  271.1077 128519.9 102
+  272.1405 218077.2 173
+  274.1285 123354.3 97
+  277.155 1257935.8 999
+  289.1341 187838.4 149
+  307.1446 1090696 866
+  337.152 183882.8 146
+  379.1725 180965.4 143
+  424.2238 369693 293
+  446.2523 144971.7 115
+  519.2613 660665.5 524
+  541.2421 323245.7 256
+  676.3462 468610.3 372
+  693.3724 999358.9 793
+  814.3782 320301.6 254
+  856.3988 508278.3 403
+//
diff --git a/Eawag/MSBNK-EAWAG-ED061656.txt b/Eawag/MSBNK-EAWAG-ED061656.txt
new file mode 100644
index 0000000000..ee60c92e4d
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED061656.txt
@@ -0,0 +1,221 @@
+ACCESSION: MSBNK-EAWAG-ED061656
+RECORD_TITLE: Cyanopeptolin CP962; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md16070220
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 616
+CH$NAME: Cyanopeptolin CP962
+CH$NAME: 3-butyramido-4-((2,5-dibenzyl-15-(3-guanidinopropyl)-21-hydroxy-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C47H66N10O12
+CH$EXACT_MASS: 962.4861676
+CH$SMILES: CCCC(NC(C(NC(C(NC(CCCNC(N)=N)C(NC1C(N(C(C(N(C(C(NC2C(C)C)=O)CC3=CC=CC=C3)C)=O)CC4=CC=CC=C4)C(O)CC1)=O)=O)=O)C(OC2=O)C)=O)CC(O)=O)=O
+CH$IUPAC: InChI=1S/C47H66N10O12/c1-6-14-35(58)51-32(25-37(60)61)41(63)55-39-27(4)69-46(68)38(26(2)3)54-42(64)33(23-28-15-9-7-10-16-28)56(5)45(67)34(24-29-17-11-8-12-18-29)57-36(59)21-20-31(44(57)66)53-40(62)30(52-43(39)65)19-13-22-50-47(48)49/h7-12,15-18,26-27,30-34,36,38-39,59H,6,13-14,19-25H2,1-5H3,(H,51,58)(H,52,65)(H,53,62)(H,54,64)(H,55,63)(H,60,61)(H4,48,49,50)
+CH$LINK: PUBCHEM CID:139590674
+CH$LINK: INCHIKEY GKSSZFHZBNEQFN-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 68003705
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 100-1002
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.028 min
+MS$FOCUSED_ION: BASE_PEAK 961.4803
+MS$FOCUSED_ION: PRECURSOR_M/Z 961.4789
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0409-0920000000-a96c077467e690a1f882
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  101.0358 C3H5N2O2- 1 101.0357 1.13
+  108.0456 C6H6NO- 1 108.0455 1.08
+  109.0407 C5H5N2O- 1 109.0407 0.04
+  110.0248 C5H4NO2- 1 110.0248 0.14
+  110.0723 C5H8N3- 1 110.0724 -0.52
+  111.0199 C4H3N2O2- 1 111.02 -0.75
+  111.0563 C5H7N2O- 1 111.0564 -0.75
+  112.0278 C4H4N2O2- 1 112.0278 -0.21
+  113.0358 C4H5N2O2- 1 113.0357 0.99
+  113.0721 C5H9N2O- 1 113.072 0.78
+  116.0717 C5H10NO2- 1 116.0717 -0.2
+  118.0662 C8H8N- 1 118.0662 -0.52
+  120.0456 C7H6NO- 1 120.0455 0.57
+  122.0612 C7H8NO- 1 122.0611 0.18
+  123.0452 C7H7O2- 1 123.0452 0.19
+  123.0565 C6H7N2O- 1 123.0564 0.98
+  124.0404 C6H6NO2- 1 124.0404 -0.41
+  124.0518 C5H6N3O- 1 124.0516 1.16
+  124.0766 C7H10NO- 1 124.0768 -1.41
+  125.0356 C5H5N2O2- 1 125.0357 -0.65
+  127.0513 C5H7N2O2- 1 127.0513 0.24
+  127.0874 C6H11N2O- 1 127.0877 -2.05
+  130.0988 C5H12N3O- 1 130.0986 1.47
+  131.05 C9H7O- 1 131.0502 -1.66
+  135.0562 C7H7N2O- 1 135.0564 -1.38
+  136.0402 C7H6NO2- 1 136.0404 -1.5
+  136.0517 C6H6N3O- 1 136.0516 0.16
+  136.0762 C8H10NO- 1 136.0768 -4.25
+  137.0354 C6H5N2O2- 1 137.0357 -2.19
+  137.0715 C7H9N2O- 1 137.072 -3.59
+  137.1082 C8H13N2- 1 137.1084 -1.32
+  138.0559 C7H8NO2- 1 138.0561 -1.18
+  138.0674 C6H8N3O- 1 138.0673 0.68
+  139.051 C6H7N2O2- 1 139.0513 -1.89
+  140.0714 C7H10NO2- 1 140.0717 -1.86
+  140.0829 C6H10N3O- 1 140.0829 -0.03
+  141.1032 C7H13N2O- 1 141.1033 -1.1
+  142.0508 C6H8NO3- 1 142.051 -1.37
+  146.0608 C9H8NO- 1 146.0611 -2.03
+  148.0763 C9H10NO- 1 148.0768 -2.98
+  149.0716 C8H9N2O- 1 149.072 -3.11
+  150.0672 C7H8N3O- 1 150.0673 -0.8
+  151.0512 C7H7N2O2- 1 151.0513 -0.52
+  152.0345 C5H4N4O2- 1 152.034 3.68
+  152.0832 C7H10N3O- 1 152.0829 1.79
+  153.0303 C6H5N2O3- 1 153.0306 -1.77
+  153.0666 C7H9N2O2- 1 153.067 -2.33
+  154.098 C7H12N3O- 1 154.0986 -3.51
+  156.0774 C6H10N3O2- 1 156.0779 -2.85
+  158.0609 C10H8NO- 1 158.0611 -1.39
+  160.0763 C10H10NO- 1 160.0768 -3.2
+  163.0511 C8H7N2O2- 1 163.0513 -1.45
+  165.1026 C9H13N2O- 2 165.1033 -4.45
+  168.0773 C7H10N3O2- 2 168.0779 -3.44
+  168.1139 C8H14N3O- 1 168.1142 -2.23
+  169.1097 C7H13N4O- 1 169.1095 1.18
+  170.0929 C7H12N3O2- 2 170.0935 -3.32
+  174.0564 C10H8NO2- 1 174.0561 2.22
+  175.0871 C10H11N2O- 2 175.0877 -3.36
+  182.092 C6H10N6O- 1 182.0922 -0.62
+  185.072 C11H9N2O- 1 185.072 -0.2
+  186.055 C9H6N4O- 1 186.0547 1.61
+  187.0864 C9H9N5- 1 187.0863 0.32
+  187.1193 C6H19O6- 3 187.1187 2.9
+  195.0883 C8H11N4O2- 3 195.0887 -2.12
+  195.1241 C8H19O5- 2 195.1238 1.56
+  196.1074 C7H12N6O- 3 196.1078 -2.3
+  201.0665 C11H9N2O2- 2 201.067 -2.12
+  202.1227 C11H14N4- 1 202.1224 1.29
+  203.0816 C9H9N5O- 2 203.0813 1.63
+  204.114 C11H14N3O- 1 204.1142 -1.26
+  206.1299 C11H16N3O- 1 206.1299 0.27
+  212.1148 C7H18NO6- 3 212.114 3.92
+  213.0982 C7H17O7- 2 213.098 0.91
+  213.1349 C9H17N4O2- 3 213.1357 -3.97
+  215.0823 C12H11N2O2- 2 215.0826 -1.62
+  216.0894 C10H10N5O- 2 216.0891 1.57
+  221.0672 C8H13O7- 3 221.0667 2.4
+  222.1243 C11H16N3O2- 2 222.1248 -2.15
+  229.141 C7H21N2O6- 3 229.1405 2.34
+  232.1079 C10H12N6O- 1 232.1078 0.37
+  234.1238 C10H14N6O- 2 234.1235 1.32
+  243.0757 C11H9N5O2- 3 243.0762 -1.85
+  251.1138 C11H15N4O3- 3 251.115 -4.78
+  260.1027 C11H12N6O2- 3 260.1027 -0.22
+  274.1273 C10H18N4O5- 3 274.1283 -3.65
+  277.1551 C15H21N2O3- 3 277.1558 -2.24
+  307.1445 C4H25N3O12- 6 307.1444 0.39
+  348.203 C17H26N5O3- 6 348.2041 -3.08
+PK$NUM_PEAK: 89
+PK$PEAK: m/z int. rel.int.
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+  108.0456 52709.9 33
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+  113.0358 159064.5 101
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+  124.0518 186879.8 119
+  124.0766 18833.9 12
+  125.0356 670735.5 427
+  127.0513 129926.5 82
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+  136.0762 87377.3 55
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+  137.0715 51311.8 32
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+  151.0512 58262.8 37
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+  153.0303 109057.1 69
+  153.0666 207831.1 132
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+  156.0774 250002.4 159
+  158.0609 31521.1 20
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+  203.0816 329978.8 210
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+  213.0982 182530.4 116
+  213.1349 69276.4 44
+  215.0823 131051.6 83
+  216.0894 169347.2 108
+  221.0672 26473.4 16
+  222.1243 48906.1 31
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+  232.1079 119321.6 76
+  234.1238 208616.3 133
+  243.0757 99733.6 63
+  251.1138 111452.1 71
+  260.1027 141801 90
+  274.1273 43885.2 27
+  277.1551 601240.5 383
+  307.1445 299044.2 190
+  348.203 131196.2 83
+//
diff --git a/Eawag/MSBNK-EAWAG-ED061657.txt b/Eawag/MSBNK-EAWAG-ED061657.txt
new file mode 100644
index 0000000000..5e53933e16
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED061657.txt
@@ -0,0 +1,211 @@
+ACCESSION: MSBNK-EAWAG-ED061657
+RECORD_TITLE: Cyanopeptolin CP962; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md16070220
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 616
+CH$NAME: Cyanopeptolin CP962
+CH$NAME: 3-butyramido-4-((2,5-dibenzyl-15-(3-guanidinopropyl)-21-hydroxy-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C47H66N10O12
+CH$EXACT_MASS: 962.4861676
+CH$SMILES: CCCC(NC(C(NC(C(NC(CCCNC(N)=N)C(NC1C(N(C(C(N(C(C(NC2C(C)C)=O)CC3=CC=CC=C3)C)=O)CC4=CC=CC=C4)C(O)CC1)=O)=O)=O)C(OC2=O)C)=O)CC(O)=O)=O
+CH$IUPAC: InChI=1S/C47H66N10O12/c1-6-14-35(58)51-32(25-37(60)61)41(63)55-39-27(4)69-46(68)38(26(2)3)54-42(64)33(23-28-15-9-7-10-16-28)56(5)45(67)34(24-29-17-11-8-12-18-29)57-36(59)21-20-31(44(57)66)53-40(62)30(52-43(39)65)19-13-22-50-47(48)49/h7-12,15-18,26-27,30-34,36,38-39,59H,6,13-14,19-25H2,1-5H3,(H,51,58)(H,52,65)(H,53,62)(H,54,64)(H,55,63)(H,60,61)(H4,48,49,50)
+CH$LINK: PUBCHEM CID:139590674
+CH$LINK: INCHIKEY GKSSZFHZBNEQFN-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 68003705
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 100-1002
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.028 min
+MS$FOCUSED_ION: BASE_PEAK 961.4803
+MS$FOCUSED_ION: PRECURSOR_M/Z 961.4789
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0409-0900000000-4f86811d19a85660e6ad
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  103.0552 C8H7- 1 103.0553 -1.54
+  107.0376 C6H5NO- 1 107.0377 -0.15
+  108.0456 C6H6NO- 1 108.0455 0.66
+  109.0409 C5H5N2O- 1 109.0407 1.3
+  110.0248 C5H4NO2- 1 110.0248 0.14
+  110.0612 C6H8NO- 1 110.0611 0.62
+  110.0724 C5H8N3- 1 110.0724 0.17
+  111.0201 C4H3N2O2- 1 111.02 0.77
+  111.0563 C5H7N2O- 1 111.0564 -0.89
+  112.0279 C4H4N2O2- 1 112.0278 0.88
+  112.0403 C5H6NO2- 1 112.0404 -0.99
+  113.0357 C4H5N2O2- 1 113.0357 0.18
+  113.0721 C5H9N2O- 1 113.072 0.78
+  116.0504 C8H6N- 1 116.0506 -1.09
+  116.0717 C5H10NO2- 1 116.0717 -0.4
+  120.0455 C7H6NO- 1 120.0455 0.51
+  122.0612 C7H8NO- 1 122.0611 0.68
+  123.045 C7H7O2- 1 123.0452 -1.05
+  123.0564 C6H7N2O- 1 123.0564 -0.14
+  124.0403 C6H6NO2- 1 124.0404 -0.91
+  124.0515 C5H6N3O- 1 124.0516 -1.11
+  124.077 C7H10NO- 1 124.0768 2.04
+  125.0356 C5H5N2O2- 1 125.0357 -0.71
+  127.0509 C5H7N2O2- 1 127.0513 -3.01
+  127.0877 C6H11N2O- 1 127.0877 -0.25
+  130.0983 C5H12N3O- 1 130.0986 -2.05
+  131.0501 C9H7O- 1 131.0502 -0.84
+  132.082 C9H10N- 1 132.0819 0.6
+  135.0562 C7H7N2O- 1 135.0564 -1.49
+  136.0402 C7H6NO2- 1 136.0404 -1.16
+  136.0765 C8H10NO- 1 136.0768 -2.35
+  137.0353 C6H5N2O2- 1 137.0357 -2.86
+  137.0718 C7H9N2O- 1 137.072 -1.37
+  137.1083 C8H13N2- 1 137.1084 -0.54
+  138.0433 C6H6N2O2- 1 138.0435 -1.16
+  138.0559 C7H8NO2- 1 138.0561 -1.4
+  138.0675 C6H8N3O- 1 138.0673 1.56
+  139.0508 C6H7N2O2- 1 139.0513 -3.87
+  139.0874 C7H11N2O- 1 139.0877 -1.85
+  140.035 C6H6NO3- 1 140.0353 -2.45
+  140.0712 C7H10NO2- 1 140.0717 -3.61
+  140.0828 C6H10N3O- 1 140.0829 -0.91
+  141.0669 C6H9N2O2- 1 141.067 -0.6
+  141.1032 C7H13N2O- 1 141.1033 -1.31
+  144.1142 C6H14N3O- 1 144.1142 -0.39
+  146.0608 C9H8NO- 1 146.0611 -2.55
+  147.0445 C9H7O2- 2 147.0452 -4.54
+  149.072 C8H9N2O- 1 149.072 -0.04
+  150.0673 C7H8N3O- 1 150.0673 0.42
+  151.0512 C7H7N2O2- 1 151.0513 -0.52
+  152.0831 C7H10N3O- 1 152.0829 0.79
+  153.0303 C6H5N2O3- 1 153.0306 -1.77
+  153.0665 C7H9N2O2- 1 153.067 -2.83
+  154.0982 C7H12N3O- 1 154.0986 -2.22
+  156.0775 C6H10N3O2- 1 156.0779 -2.46
+  158.0604 C10H8NO- 2 158.0611 -4.38
+  160.0763 C10H10NO- 1 160.0768 -3.29
+  161.0353 C8H5N2O2- 1 161.0357 -2.3
+  163.0505 C8H7N2O2- 2 163.0513 -4.82
+  164.0709 C7H8N4O- 2 164.0704 3.24
+  165.1033 C9H13N2O- 1 165.1033 -0.47
+  166.0509 C8H8NO3- 1 166.051 -0.43
+  166.098 C8H12N3O- 2 166.0986 -3.26
+  169.1093 C7H13N4O- 1 169.1095 -1.16
+  175.0876 C10H11N2O- 1 175.0877 -0.22
+  179.0449 C6H5N5O2- 1 179.0449 0.38
+  180.1141 C9H14N3O- 1 180.1142 -0.77
+  185.0717 C11H9N2O- 1 185.072 -1.93
+  186.0555 C9H6N4O- 2 186.0547 4.39
+  187.1193 C6H19O6- 3 187.1187 2.99
+  196.1083 C7H12N6O- 2 196.1078 2.37
+  197.0714 C12H9N2O- 2 197.072 -3.38
+  199.087 C10H9N5- 2 199.0863 3.52
+  201.0661 C9H7N5O- 2 201.0656 2.66
+  202.1225 C11H14N4- 1 202.1224 0.76
+  203.0816 C9H9N5O- 2 203.0813 1.93
+  206.1288 C9H14N6- 1 206.1285 1.01
+  213.0983 C7H17O7- 3 213.098 1.63
+  213.1354 C9H17N4O2- 3 213.1357 -1.46
+  232.1088 C10H12N6O- 2 232.1078 4.12
+  234.1233 C10H14N6O- 3 234.1235 -0.83
+  243.0768 C11H9N5O2- 2 243.0762 2.67
+  251.1159 C11H15N4O3- 2 251.115 3.79
+  289.1339 C4H23N3O11- 6 289.1338 0.42
+PK$NUM_PEAK: 84
+PK$PEAK: m/z int. rel.int.
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+  160.0763 1102260.8 833
+  161.0353 34447.6 26
+  163.0505 25089.3 18
+  164.0709 41392.3 31
+  165.1033 94004 71
+  166.0509 32915.9 24
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+  169.1093 163168 123
+  175.0876 54133.6 40
+  179.0449 57290 43
+  180.1141 36678.5 27
+  185.0717 64333.8 48
+  186.0555 47919.2 36
+  187.1193 1054199 796
+  196.1083 118734.6 89
+  197.0714 56444.4 42
+  199.087 40406.2 30
+  201.0661 59020.7 44
+  202.1225 248166.3 187
+  203.0816 175395.4 132
+  206.1288 60464 45
+  213.0983 157629.6 119
+  213.1354 50433.5 38
+  232.1088 58745 44
+  234.1233 82299.9 62
+  243.0768 92589.9 69
+  251.1159 13831.5 10
+  289.1339 40695.5 30
+//
diff --git a/Eawag/MSBNK-EAWAG-ED061658.txt b/Eawag/MSBNK-EAWAG-ED061658.txt
new file mode 100644
index 0000000000..ffa93fc624
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED061658.txt
@@ -0,0 +1,187 @@
+ACCESSION: MSBNK-EAWAG-ED061658
+RECORD_TITLE: Cyanopeptolin CP962; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md16070220
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 616
+CH$NAME: Cyanopeptolin CP962
+CH$NAME: 3-butyramido-4-((2,5-dibenzyl-15-(3-guanidinopropyl)-21-hydroxy-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C47H66N10O12
+CH$EXACT_MASS: 962.4861676
+CH$SMILES: CCCC(NC(C(NC(C(NC(CCCNC(N)=N)C(NC1C(N(C(C(N(C(C(NC2C(C)C)=O)CC3=CC=CC=C3)C)=O)CC4=CC=CC=C4)C(O)CC1)=O)=O)=O)C(OC2=O)C)=O)CC(O)=O)=O
+CH$IUPAC: InChI=1S/C47H66N10O12/c1-6-14-35(58)51-32(25-37(60)61)41(63)55-39-27(4)69-46(68)38(26(2)3)54-42(64)33(23-28-15-9-7-10-16-28)56(5)45(67)34(24-29-17-11-8-12-18-29)57-36(59)21-20-31(44(57)66)53-40(62)30(52-43(39)65)19-13-22-50-47(48)49/h7-12,15-18,26-27,30-34,36,38-39,59H,6,13-14,19-25H2,1-5H3,(H,51,58)(H,52,65)(H,53,62)(H,54,64)(H,55,63)(H,60,61)(H4,48,49,50)
+CH$LINK: PUBCHEM CID:139590674
+CH$LINK: INCHIKEY GKSSZFHZBNEQFN-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 68003705
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 100-1002
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.028 min
+MS$FOCUSED_ION: BASE_PEAK 961.4803
+MS$FOCUSED_ION: PRECURSOR_M/Z 961.4789
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0409-0900000000-3688710ef2176860cb06
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  103.0553 C8H7- 1 103.0553 -0.65
+  107.0375 C6H5NO- 1 107.0377 -1.36
+  108.0214 C6H4O2- 1 108.0217 -2.61
+  108.0458 C6H6NO- 1 108.0455 2.56
+  109.0409 C5H5N2O- 1 109.0407 1.16
+  110.0125 C4H2N2O2- 1 110.0122 2.8
+  110.0248 C5H4NO2- 1 110.0248 0.21
+  110.0612 C6H8NO- 1 110.0611 0.96
+  111.0199 C4H3N2O2- 1 111.02 -1.02
+  111.0563 C5H7N2O- 1 111.0564 -1.03
+  112.0279 C4H4N2O2- 1 112.0278 0.61
+  112.0766 C6H10NO- 1 112.0768 -1.47
+  113.0355 C4H5N2O2- 1 113.0357 -1.58
+  113.0723 C5H9N2O- 1 113.072 1.99
+  116.0504 C8H6N- 1 116.0506 -1.29
+  116.0717 C5H10NO2- 1 116.0717 -0.33
+  118.0661 C8H8N- 1 118.0662 -1.23
+  121.0405 C6H5N2O- 1 121.0407 -1.91
+  122.061 C7H8NO- 1 122.0611 -1.51
+  123.0327 C6H5NO2- 1 123.0326 0.78
+  123.0454 C7H7O2- 1 123.0452 1.93
+  123.0559 C6H7N2O- 1 123.0564 -3.74
+  124.0403 C6H6NO2- 1 124.0404 -0.48
+  124.0517 C5H6N3O- 1 124.0516 0.85
+  125.0355 C5H5N2O2- 1 125.0357 -1.02
+  127.0513 C5H7N2O2- 1 127.0513 -0.37
+  127.0879 C6H11N2O- 1 127.0877 1.43
+  130.0984 C5H12N3O- 1 130.0986 -1.23
+  131.0501 C9H7O- 1 131.0502 -0.96
+  133.041 C7H5N2O- 1 133.0407 1.67
+  135.0562 C7H7N2O- 1 135.0564 -1.6
+  136.0402 C7H6NO2- 1 136.0404 -1.61
+  137.0355 C6H5N2O2- 1 137.0357 -0.97
+  137.0719 C7H9N2O- 1 137.072 -1.26
+  138.0435 C6H6N2O2- 1 138.0435 -0.05
+  138.0559 C7H8NO2- 1 138.0561 -1.29
+  139.0516 C6H7N2O2- 1 139.0513 2.06
+  139.0878 C7H11N2O- 1 139.0877 0.46
+  140.083 C6H10N3O- 1 140.0829 0.18
+  141.067 C6H9N2O2- 1 141.067 0.7
+  141.1032 C7H13N2O- 1 141.1033 -1.1
+  142.0985 C6H12N3O- 1 142.0986 -0.92
+  146.0607 C9H8NO- 1 146.0611 -2.97
+  147.0448 C9H7O2- 1 147.0452 -2.67
+  149.0717 C8H9N2O- 1 149.072 -2.09
+  150.0672 C7H8N3O- 1 150.0673 -0.6
+  151.051 C7H7N2O2- 1 151.0513 -1.73
+  152.083 C7H10N3O- 1 152.0829 0.19
+  153.0304 C6H5N2O3- 1 153.0306 -0.97
+  153.0665 C7H9N2O2- 1 153.067 -2.63
+  154.0985 C7H12N3O- 1 154.0986 -0.34
+  155.033 C5H5N3O3- 2 155.0336 -3.83
+  156.0775 C6H10N3O2- 1 156.0779 -1.97
+  158.0608 C10H8NO- 1 158.0611 -2.16
+  160.0763 C10H10NO- 1 160.0768 -3.2
+  165.1031 C9H13N2O- 1 165.1033 -1.49
+  166.0977 C6H10N6- 1 166.0972 2.53
+  168.0774 C7H10N3O2- 1 168.0779 -2.45
+  168.1141 C8H14N3O- 1 168.1142 -0.77
+  169.109 C7H13N4O- 3 169.1095 -3.15
+  170.0929 C7H12N3O2- 2 170.0935 -3.59
+  175.0875 C10H11N2O- 1 175.0877 -0.92
+  182.0927 C6H10N6O- 2 182.0922 3.15
+  186.0552 C9H6N4O- 2 186.0547 2.59
+  187.1192 C6H19O6- 3 187.1187 2.82
+  196.108 C7H12N6O- 1 196.1078 1.2
+  201.0665 C11H9N2O2- 2 201.067 -2.2
+  203.0817 C9H9N5O- 2 203.0813 2.38
+  206.1285 C9H14N6- 1 206.1285 -0.32
+  213.0984 C7H17O7- 3 213.098 1.92
+  232.1089 C10H12N6O- 2 232.1078 4.84
+  243.0777 C13H11N2O3- 1 243.0775 0.66
+PK$NUM_PEAK: 72
+PK$PEAK: m/z int. rel.int.
+  103.0553 65240.6 66
+  107.0375 20412.6 20
+  108.0214 17561.4 17
+  108.0458 78309.1 79
+  109.0409 88867.7 90
+  110.0125 70658.6 71
+  110.0248 359384.5 364
+  110.0612 54637.3 55
+  111.0199 124048 125
+  111.0563 88313 89
+  112.0279 260127 263
+  112.0766 22001 22
+  113.0355 128016.5 129
+  113.0723 72245.5 73
+  116.0504 99612.9 100
+  116.0717 985634.9 999
+  118.0661 83986.9 85
+  121.0405 25186.1 25
+  122.061 41121.7 41
+  123.0327 29966.1 30
+  123.0454 18814.9 19
+  123.0559 128868.4 130
+  124.0403 125973 127
+  124.0517 67420.8 68
+  125.0355 970451.8 983
+  127.0513 68152.4 69
+  127.0879 41241.4 41
+  130.0984 174242.1 176
+  131.0501 102766.4 104
+  133.041 39001 39
+  135.0562 404837.7 410
+  136.0402 145832.7 147
+  137.0355 109608.3 111
+  137.0719 55656.7 56
+  138.0435 41869.4 42
+  138.0559 35216.6 35
+  139.0516 41009.4 41
+  139.0878 21946.2 22
+  140.083 85551.3 86
+  141.067 39905.9 40
+  141.1032 105560 106
+  142.0985 40767 41
+  146.0607 118109.6 119
+  147.0448 69195.5 70
+  149.0717 32893.2 33
+  150.0672 45028.9 45
+  151.051 34963.7 35
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+  153.0304 55480.5 56
+  153.0665 92375.3 93
+  154.0985 69600.8 70
+  155.033 20927.2 21
+  156.0775 195826.4 198
+  158.0608 45828.2 46
+  160.0763 556233.2 563
+  165.1031 32190.3 32
+  166.0977 68507.1 69
+  168.0774 55535.9 56
+  168.1141 30551.9 30
+  169.109 182896.7 185
+  170.0929 328959.1 333
+  175.0875 30211.1 30
+  182.0927 44240.5 44
+  186.0552 32100.5 32
+  187.1192 727419.8 737
+  196.108 98388.3 99
+  201.0665 49288.6 49
+  203.0817 59664.3 60
+  206.1285 23085.8 23
+  213.0984 69773.9 70
+  232.1089 26829.3 27
+  243.0777 31914.3 32
+//
diff --git a/Eawag/MSBNK-EAWAG-ED061659.txt b/Eawag/MSBNK-EAWAG-ED061659.txt
new file mode 100644
index 0000000000..0769afd3d4
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED061659.txt
@@ -0,0 +1,143 @@
+ACCESSION: MSBNK-EAWAG-ED061659
+RECORD_TITLE: Cyanopeptolin CP962; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md16070220
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 616
+CH$NAME: Cyanopeptolin CP962
+CH$NAME: 3-butyramido-4-((2,5-dibenzyl-15-(3-guanidinopropyl)-21-hydroxy-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C47H66N10O12
+CH$EXACT_MASS: 962.4861676
+CH$SMILES: CCCC(NC(C(NC(C(NC(CCCNC(N)=N)C(NC1C(N(C(C(N(C(C(NC2C(C)C)=O)CC3=CC=CC=C3)C)=O)CC4=CC=CC=C4)C(O)CC1)=O)=O)=O)C(OC2=O)C)=O)CC(O)=O)=O
+CH$IUPAC: InChI=1S/C47H66N10O12/c1-6-14-35(58)51-32(25-37(60)61)41(63)55-39-27(4)69-46(68)38(26(2)3)54-42(64)33(23-28-15-9-7-10-16-28)56(5)45(67)34(24-29-17-11-8-12-18-29)57-36(59)21-20-31(44(57)66)53-40(62)30(52-43(39)65)19-13-22-50-47(48)49/h7-12,15-18,26-27,30-34,36,38-39,59H,6,13-14,19-25H2,1-5H3,(H,51,58)(H,52,65)(H,53,62)(H,54,64)(H,55,63)(H,60,61)(H4,48,49,50)
+CH$LINK: PUBCHEM CID:139590674
+CH$LINK: INCHIKEY GKSSZFHZBNEQFN-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 68003705
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 100-1002
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.028 min
+MS$FOCUSED_ION: BASE_PEAK 961.4803
+MS$FOCUSED_ION: PRECURSOR_M/Z 961.4789
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0409-0900000000-b67b8fa783189640c3a2
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  103.0556 C8H7- 1 103.0553 2.39
+  108.0221 C6H4O2- 1 108.0217 4.1
+  109.0407 C5H5N2O- 1 109.0407 -0.17
+  110.0124 C4H2N2O2- 1 110.0122 1.69
+  110.0248 C5H4NO2- 1 110.0248 0.14
+  110.061 C6H8NO- 1 110.0611 -0.91
+  110.072 C5H8N3- 1 110.0724 -3.29
+  111.0201 C4H3N2O2- 1 111.02 1.04
+  111.0564 C5H7N2O- 1 111.0564 0.41
+  112.0277 C4H4N2O2- 1 112.0278 -1.03
+  112.077 C6H10NO- 1 112.0768 1.66
+  113.0355 C4H5N2O2- 1 113.0357 -0.9
+  113.0718 C5H9N2O- 1 113.072 -1.92
+  116.0505 C8H6N- 1 116.0506 -0.63
+  116.0717 C5H10NO2- 1 116.0717 -0.33
+  118.0662 C8H8N- 1 118.0662 -0.13
+  121.0406 C6H5N2O- 1 121.0407 -1.41
+  122.0613 C7H8NO- 1 122.0611 0.99
+  123.0329 C6H5NO2- 1 123.0326 2.7
+  123.0558 C6H7N2O- 1 123.0564 -4.42
+  124.0405 C6H6NO2- 1 124.0404 0.45
+  124.0514 C5H6N3O- 1 124.0516 -1.61
+  125.0355 C5H5N2O2- 1 125.0357 -1.02
+  127.0512 C5H7N2O2- 1 127.0513 -0.79
+  127.0877 C6H11N2O- 1 127.0877 0.11
+  130.0983 C5H12N3O- 1 130.0986 -2.4
+  131.0503 C9H7O- 1 131.0502 0.44
+  133.0407 C7H5N2O- 1 133.0407 -0.39
+  135.0561 C7H7N2O- 1 135.0564 -2.28
+  136.0402 C7H6NO2- 1 136.0404 -1.61
+  137.0354 C6H5N2O2- 1 137.0357 -1.97
+  138.0433 C6H6N2O2- 1 138.0435 -1.27
+  139.0513 C6H7N2O2- 1 139.0513 -0.24
+  139.0877 C7H11N2O- 1 139.0877 0.13
+  140.0827 C6H10N3O- 1 140.0829 -1.45
+  141.1036 C7H13N2O- 1 141.1033 2.04
+  142.0984 C6H12N3O- 1 142.0986 -1.35
+  144.1141 C6H14N3O- 1 144.1142 -0.82
+  146.0614 C9H8NO- 1 146.0611 1.83
+  149.0716 C8H9N2O- 1 149.072 -2.91
+  153.0668 C7H9N2O2- 1 153.067 -0.93
+  155.0336 C5H5N3O3- 1 155.0336 -0.48
+  156.0775 C6H10N3O2- 1 156.0779 -2.26
+  160.0764 C10H10NO- 1 160.0768 -2.72
+  168.077 C7H10N3O2- 2 168.0779 -4.9
+  169.109 C7H13N4O- 1 169.1095 -2.7
+  170.0929 C7H12N3O2- 2 170.0935 -3.5
+  187.087 C9H9N5- 2 187.0863 3.42
+  187.1192 C6H19O6- 3 187.1187 2.74
+  201.066 C9H7N5O- 2 201.0656 2.13
+PK$NUM_PEAK: 50
+PK$PEAK: m/z int. rel.int.
+  103.0556 31060.2 42
+  108.0221 13635.9 18
+  109.0407 85559.9 115
+  110.0124 76973.8 104
+  110.0248 258155.2 349
+  110.061 41893.3 56
+  110.072 19121.2 25
+  111.0201 142208.8 192
+  111.0564 71093.9 96
+  112.0277 217269.7 293
+  112.077 23328.1 31
+  113.0355 108233.1 146
+  113.0718 73158.4 98
+  116.0505 90098.6 121
+  116.0717 549176 742
+  118.0662 80746.5 109
+  121.0406 38673.8 52
+  122.0613 20185.7 27
+  123.0329 31322 42
+  123.0558 90504.8 122
+  124.0405 74682.4 101
+  124.0514 26867.6 36
+  125.0355 738463.2 999
+  127.0512 30370.3 41
+  127.0877 47182.7 63
+  130.0983 112767.7 152
+  131.0503 54603.4 73
+  133.0407 48478 65
+  135.0561 217713.5 294
+  136.0402 63078.1 85
+  137.0354 69320.4 93
+  138.0433 45025.8 60
+  139.0513 29783.4 40
+  139.0877 21730.3 29
+  140.0827 55294.3 74
+  141.1036 30075.7 40
+  142.0984 38284.6 51
+  144.1141 31901.3 43
+  146.0614 24578.1 33
+  149.0716 30442.7 41
+  153.0668 29563.4 39
+  155.0336 26266.8 35
+  156.0775 110643.8 149
+  160.0764 210558.7 284
+  168.077 27324.1 36
+  169.109 111310.6 150
+  170.0929 168323.4 227
+  187.087 13980.8 18
+  187.1192 242037.3 327
+  201.066 49569 67
+//
diff --git a/Eawag/MSBNK-EAWAG-ED063901.txt b/Eawag/MSBNK-EAWAG-ED063901.txt
new file mode 100644
index 0000000000..c0588fcd57
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED063901.txt
@@ -0,0 +1,46 @@
+ACCESSION: MSBNK-EAWAG-ED063901
+RECORD_TITLE: Cyanopeptolin 972; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.aquatox.2023.106689
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 638
+CH$NAME: Cyanopeptolin 972
+CH$NAME: 5-[[15-[3-(diaminomethylideneamino)propyl]-21-hydroxy-5-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-2-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-5-oxo-4-(pentanoylamino)pentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C46H72N10O13
+CH$EXACT_MASS: 972.5280324
+CH$SMILES: O=C(NC(CCCNC(N)=N)C(NC1C(N(C(C(N(C(C(NC2C(C)C)=O)CC3=CC=C(O)C=C3)C)=O)CC(C)C)C(O)CC1)=O)=O)C(C(OC2=O)C)NC(C(CCC(O)=O)NC(CCCC)=O)=O
+CH$IUPAC: InChI=1S/C46H72N10O13/c1-8-9-12-34(58)50-30(18-20-36(60)61)40(63)54-38-26(6)69-45(68)37(25(4)5)53-41(64)32(23-27-13-15-28(57)16-14-27)55(7)44(67)33(22-24(2)3)56-35(59)19-17-31(43(56)66)52-39(62)29(51-42(38)65)11-10-21-49-46(47)48/h13-16,24-26,29-33,35,37-38,57,59H,8-12,17-23H2,1-7H3,(H,50,58)(H,51,65)(H,52,62)(H,53,64)(H,54,63)(H,60,61)(H4,47,48,49)
+CH$LINK: PUBCHEM CID:155802244
+CH$LINK: INCHIKEY OHHAWMYRUPJTKQ-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 101-1014
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.207 min
+MS$FOCUSED_ION: BASE_PEAK 973.5322
+MS$FOCUSED_ION: PRECURSOR_M/Z 973.5353
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00di-0000000009-f014956a06ea9a45f92a
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  108.1717 C3H24O3+ 1 108.172 -2.48
+  973.5323 C46H73N10O13+ 1 973.5353 -3.09
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  108.1717 5958814 50
+  973.5323 117223816 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED063902.txt b/Eawag/MSBNK-EAWAG-ED063902.txt
new file mode 100644
index 0000000000..3196694d68
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED063902.txt
@@ -0,0 +1,50 @@
+ACCESSION: MSBNK-EAWAG-ED063902
+RECORD_TITLE: Cyanopeptolin 972; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.aquatox.2023.106689
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 638
+CH$NAME: Cyanopeptolin 972
+CH$NAME: 5-[[15-[3-(diaminomethylideneamino)propyl]-21-hydroxy-5-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-2-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-5-oxo-4-(pentanoylamino)pentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C46H72N10O13
+CH$EXACT_MASS: 972.5280324
+CH$SMILES: O=C(NC(CCCNC(N)=N)C(NC1C(N(C(C(N(C(C(NC2C(C)C)=O)CC3=CC=C(O)C=C3)C)=O)CC(C)C)C(O)CC1)=O)=O)C(C(OC2=O)C)NC(C(CCC(O)=O)NC(CCCC)=O)=O
+CH$IUPAC: InChI=1S/C46H72N10O13/c1-8-9-12-34(58)50-30(18-20-36(60)61)40(63)54-38-26(6)69-45(68)37(25(4)5)53-41(64)32(23-27-13-15-28(57)16-14-27)55(7)44(67)33(22-24(2)3)56-35(59)19-17-31(43(56)66)52-39(62)29(51-42(38)65)11-10-21-49-46(47)48/h13-16,24-26,29-33,35,37-38,57,59H,8-12,17-23H2,1-7H3,(H,50,58)(H,51,65)(H,52,62)(H,53,64)(H,54,63)(H,60,61)(H4,47,48,49)
+CH$LINK: PUBCHEM CID:155802244
+CH$LINK: INCHIKEY OHHAWMYRUPJTKQ-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 101-1014
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.207 min
+MS$FOCUSED_ION: BASE_PEAK 973.5322
+MS$FOCUSED_ION: PRECURSOR_M/Z 973.5353
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00di-0000000009-e60376b9c7e0fbceed5f
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  108.1717 C3H24O3+ 1 108.172 -2.41
+  760.4334 C35H62N5O13+ 6 760.4339 -0.58
+  955.5262 C46H71N10O12+ 1 955.5247 1.53
+  973.5325 C46H73N10O13+ 1 973.5353 -2.9
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  108.1717 5401880 50
+  760.4334 5029699 47
+  955.5262 14303089 134
+  973.5325 106290144 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED063903.txt b/Eawag/MSBNK-EAWAG-ED063903.txt
new file mode 100644
index 0000000000..bf7378551b
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED063903.txt
@@ -0,0 +1,54 @@
+ACCESSION: MSBNK-EAWAG-ED063903
+RECORD_TITLE: Cyanopeptolin 972; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.aquatox.2023.106689
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 638
+CH$NAME: Cyanopeptolin 972
+CH$NAME: 5-[[15-[3-(diaminomethylideneamino)propyl]-21-hydroxy-5-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-2-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-5-oxo-4-(pentanoylamino)pentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C46H72N10O13
+CH$EXACT_MASS: 972.5280324
+CH$SMILES: O=C(NC(CCCNC(N)=N)C(NC1C(N(C(C(N(C(C(NC2C(C)C)=O)CC3=CC=C(O)C=C3)C)=O)CC(C)C)C(O)CC1)=O)=O)C(C(OC2=O)C)NC(C(CCC(O)=O)NC(CCCC)=O)=O
+CH$IUPAC: InChI=1S/C46H72N10O13/c1-8-9-12-34(58)50-30(18-20-36(60)61)40(63)54-38-26(6)69-45(68)37(25(4)5)53-41(64)32(23-27-13-15-28(57)16-14-27)55(7)44(67)33(22-24(2)3)56-35(59)19-17-31(43(56)66)52-39(62)29(51-42(38)65)11-10-21-49-46(47)48/h13-16,24-26,29-33,35,37-38,57,59H,8-12,17-23H2,1-7H3,(H,50,58)(H,51,65)(H,52,62)(H,53,64)(H,54,63)(H,60,61)(H4,47,48,49)
+CH$LINK: PUBCHEM CID:155802244
+CH$LINK: INCHIKEY OHHAWMYRUPJTKQ-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 101-1014
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.207 min
+MS$FOCUSED_ION: BASE_PEAK 973.5322
+MS$FOCUSED_ION: PRECURSOR_M/Z 973.5353
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00di-0000000109-ced4d3803e074288fec5
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  108.1718 C3H24O3+ 1 108.172 -1.49
+  386.2062 C19H26N6O3+ 6 386.2061 0.22
+  742.4239 C35H60N5O12+ 8 742.4233 0.8
+  760.4336 C35H62N5O13+ 6 760.4339 -0.34
+  955.5238 C46H71N10O12+ 1 955.5247 -1.03
+  973.5327 C46H73N10O13+ 1 973.5353 -2.65
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  108.1718 2786899.8 49
+  386.2062 1001019.2 17
+  742.4239 6306479.5 112
+  760.4336 9809773 175
+  955.5238 27473128 490
+  973.5327 55903552 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED063904.txt b/Eawag/MSBNK-EAWAG-ED063904.txt
new file mode 100644
index 0000000000..86f4c8496b
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED063904.txt
@@ -0,0 +1,72 @@
+ACCESSION: MSBNK-EAWAG-ED063904
+RECORD_TITLE: Cyanopeptolin 972; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.aquatox.2023.106689
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 638
+CH$NAME: Cyanopeptolin 972
+CH$NAME: 5-[[15-[3-(diaminomethylideneamino)propyl]-21-hydroxy-5-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-2-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-5-oxo-4-(pentanoylamino)pentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C46H72N10O13
+CH$EXACT_MASS: 972.5280324
+CH$SMILES: O=C(NC(CCCNC(N)=N)C(NC1C(N(C(C(N(C(C(NC2C(C)C)=O)CC3=CC=C(O)C=C3)C)=O)CC(C)C)C(O)CC1)=O)=O)C(C(OC2=O)C)NC(C(CCC(O)=O)NC(CCCC)=O)=O
+CH$IUPAC: InChI=1S/C46H72N10O13/c1-8-9-12-34(58)50-30(18-20-36(60)61)40(63)54-38-26(6)69-45(68)37(25(4)5)53-41(64)32(23-27-13-15-28(57)16-14-27)55(7)44(67)33(22-24(2)3)56-35(59)19-17-31(43(56)66)52-39(62)29(51-42(38)65)11-10-21-49-46(47)48/h13-16,24-26,29-33,35,37-38,57,59H,8-12,17-23H2,1-7H3,(H,50,58)(H,51,65)(H,52,62)(H,53,64)(H,54,63)(H,60,61)(H4,47,48,49)
+CH$LINK: PUBCHEM CID:155802244
+CH$LINK: INCHIKEY OHHAWMYRUPJTKQ-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 101-1014
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.207 min
+MS$FOCUSED_ION: BASE_PEAK 973.5322
+MS$FOCUSED_ION: PRECURSOR_M/Z 973.5353
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-05fu-0000000409-ec5542a9d3fe94b25e25
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  108.1719 C3H24O3+ 1 108.172 -0.65
+  112.0865 C5H10N3+ 1 112.0869 -4.2
+  150.0909 C9H12NO+ 1 150.0913 -3.07
+  181.1326 C8H15N5+ 2 181.1322 2.42
+  209.1272 C9H15N5O+ 1 209.1271 0.43
+  223.1183 C9H19O6+ 3 223.1176 3.21
+  240.1439 C8H16N8O+ 3 240.1442 -1.07
+  386.2066 C19H26N6O3+ 6 386.2061 1.25
+  742.4237 C35H60N5O12+ 9 742.4233 0.47
+  760.4334 C35H62N5O13+ 6 760.4339 -0.58
+  838.445 C41H60N9O10+ 5 838.4458 -0.87
+  856.4524 C41H62N9O11+ 1 856.4563 -4.56
+  927.5286 C45H71N10O11+ 1 927.5298 -1.33
+  955.5231 C46H71N10O12+ 1 955.5247 -1.73
+  973.5331 C46H73N10O13+ 1 973.5353 -2.27
+PK$NUM_PEAK: 15
+PK$PEAK: m/z int. rel.int.
+  108.1719 1262469.2 49
+  112.0865 303537.2 11
+  150.0909 2317632.2 90
+  181.1326 697984.6 27
+  209.1272 1120305.5 43
+  223.1183 582185.6 22
+  240.1439 369629.8 14
+  386.2066 3919858 153
+  742.4237 13363773 521
+  760.4334 11568102 451
+  838.445 626730.2 24
+  856.4524 526613.1 20
+  927.5286 1639040.8 63
+  955.5231 22619724 882
+  973.5331 25594012 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED063905.txt b/Eawag/MSBNK-EAWAG-ED063905.txt
new file mode 100644
index 0000000000..b9e11de94b
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED063905.txt
@@ -0,0 +1,138 @@
+ACCESSION: MSBNK-EAWAG-ED063905
+RECORD_TITLE: Cyanopeptolin 972; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.aquatox.2023.106689
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 638
+CH$NAME: Cyanopeptolin 972
+CH$NAME: 5-[[15-[3-(diaminomethylideneamino)propyl]-21-hydroxy-5-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-2-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-5-oxo-4-(pentanoylamino)pentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C46H72N10O13
+CH$EXACT_MASS: 972.5280324
+CH$SMILES: O=C(NC(CCCNC(N)=N)C(NC1C(N(C(C(N(C(C(NC2C(C)C)=O)CC3=CC=C(O)C=C3)C)=O)CC(C)C)C(O)CC1)=O)=O)C(C(OC2=O)C)NC(C(CCC(O)=O)NC(CCCC)=O)=O
+CH$IUPAC: InChI=1S/C46H72N10O13/c1-8-9-12-34(58)50-30(18-20-36(60)61)40(63)54-38-26(6)69-45(68)37(25(4)5)53-41(64)32(23-27-13-15-28(57)16-14-27)55(7)44(67)33(22-24(2)3)56-35(59)19-17-31(43(56)66)52-39(62)29(51-42(38)65)11-10-21-49-46(47)48/h13-16,24-26,29-33,35,37-38,57,59H,8-12,17-23H2,1-7H3,(H,50,58)(H,51,65)(H,52,62)(H,53,64)(H,54,63)(H,60,61)(H4,47,48,49)
+CH$LINK: PUBCHEM CID:155802244
+CH$LINK: INCHIKEY OHHAWMYRUPJTKQ-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 101-1014
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.207 min
+MS$FOCUSED_ION: BASE_PEAK 973.5322
+MS$FOCUSED_ION: PRECURSOR_M/Z 973.5353
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0udi-0940000100-868f7b6e19545bc6c227
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  112.0867 C5H10N3+ 1 112.0869 -2.23
+  112.1119 C7H14N+ 1 112.1121 -1.74
+  113.0707 C5H9N2O+ 1 113.0709 -1.75
+  114.0546 C5H8NO2+ 1 114.055 -3.28
+  115.0863 C5H11N2O+ 1 115.0866 -2.44
+  121.0646 C8H9O+ 1 121.0648 -1.62
+  124.1117 C8H14N+ 1 124.1121 -2.71
+  136.1118 C9H14N+ 1 136.1121 -2.26
+  138.0658 C6H8N3O+ 1 138.0662 -2.62
+  140.0814 C6H10N3O+ 1 140.0818 -2.93
+  150.0909 C9H12NO+ 1 150.0913 -3.07
+  153.1021 C8H13N2O+ 1 153.1022 -0.97
+  153.1382 C9H17N2+ 1 153.1386 -3.02
+  157.1079 C6H13N4O+ 1 157.1084 -2.84
+  162.1018 C9H12N3+ 1 162.1026 -4.99
+  164.0689 C7H8N4O+ 1 164.0693 -2.17
+  178.0848 C8H10N4O+ 1 178.0849 -0.42
+  179.1282 C8H19O4+ 1 179.1278 2.46
+  180.1127 C9H14N3O+ 1 180.1131 -2.27
+  181.0967 C9H13N2O2+ 1 181.0972 -2.25
+  181.1325 C8H15N5+ 1 181.1322 1.91
+  186.112 C9H16NO3+ 2 186.1125 -2.29
+  192.1009 C9H12N4O+ 1 192.1006 1.94
+  195.1244 C9H15N4O+ 1 195.124 1.73
+  197.1025 C7H17O6+ 3 197.102 2.61
+  199.0706 C6H9N5O3+ 2 199.07 2.92
+  207.1484 C10H17N5+ 2 207.1478 2.58
+  208.107 C8H12N6O+ 1 208.1067 1.16
+  209.1274 C9H15N5O+ 2 209.1271 1.59
+  214.1064 C8H14N4O3+ 2 214.106 1.7
+  216.1334 C7H16N6O2+ 2 216.1329 2
+  218.1524 C12H18N4+ 1 218.1526 -0.82
+  223.1179 C9H19O6+ 3 223.1176 1.5
+  240.1444 C9H22NO6+ 3 240.1442 1.13
+  241.1283 C9H21O7+ 3 241.1282 0.66
+  251.1404 CH23N4O10+ 1 251.1409 -1.82
+  257.1712 C9H25N2O6+ 3 257.1707 2.06
+  274.1427 H20N9O8+ 4 274.1429 -0.7
+  325.1976 C13H29N2O7+ 3 325.1969 2
+  338.1446 C13H24NO9+ 4 338.1446 0.03
+  436.2183 C34H28+ 8 436.2186 -0.54
+  742.4228 C35H60N5O12+ 7 742.4233 -0.68
+  760.4337 C35H62N5O13+ 6 760.4339 -0.18
+  838.4463 C41H60N9O10+ 6 838.4458 0.59
+  856.4588 C41H62N9O11+ 5 856.4563 2.85
+  927.5277 C45H71N10O11+ 1 927.5298 -2.32
+  955.5209 C46H71N10O12+ 1 955.5247 -4.03
+  973.534 C46H73N10O13+ 1 973.5353 -1.33
+PK$NUM_PEAK: 48
+PK$PEAK: m/z int. rel.int.
+  112.0867 1407679.8 182
+  112.1119 144146.5 18
+  113.0707 785802.2 101
+  114.0546 105930.7 13
+  115.0863 359484 46
+  121.0646 129523 16
+  124.1117 156600.1 20
+  136.1118 423404.5 54
+  138.0658 839728.4 108
+  140.0814 97185.6 12
+  150.0909 7720730 999
+  153.1021 84912 10
+  153.1382 742661.4 96
+  157.1079 279698.1 36
+  162.1018 108651.5 14
+  164.0689 80684.7 10
+  178.0848 670326.6 86
+  179.1282 186269.5 24
+  180.1127 119126.7 15
+  181.0967 179622 23
+  181.1325 2687626.2 347
+  186.112 81317.3 10
+  192.1009 171959.8 22
+  195.1244 241762.7 31
+  197.1025 648194.9 83
+  199.0706 354057.8 45
+  207.1484 158802.5 20
+  208.107 124675.5 16
+  209.1274 1877432.2 242
+  214.1064 548147.6 70
+  216.1334 131531.4 17
+  218.1524 109548.5 14
+  223.1179 1959795.1 253
+  240.1444 900506 116
+  241.1283 871787.9 112
+  251.1404 99638.5 12
+  257.1712 351049.9 45
+  274.1427 1548654.2 200
+  325.1976 184899.1 23
+  338.1446 662961.3 85
+  436.2183 1223255.8 158
+  742.4228 1783642.9 230
+  760.4337 748930.4 96
+  838.4463 112125.8 14
+  856.4588 109384.3 14
+  927.5277 137930.8 17
+  955.5209 697529.5 90
+  973.534 544544.5 70
+//
diff --git a/Eawag/MSBNK-EAWAG-ED063906.txt b/Eawag/MSBNK-EAWAG-ED063906.txt
new file mode 100644
index 0000000000..b1ff88fb87
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED063906.txt
@@ -0,0 +1,156 @@
+ACCESSION: MSBNK-EAWAG-ED063906
+RECORD_TITLE: Cyanopeptolin 972; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.aquatox.2023.106689
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 638
+CH$NAME: Cyanopeptolin 972
+CH$NAME: 5-[[15-[3-(diaminomethylideneamino)propyl]-21-hydroxy-5-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-2-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-5-oxo-4-(pentanoylamino)pentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C46H72N10O13
+CH$EXACT_MASS: 972.5280324
+CH$SMILES: O=C(NC(CCCNC(N)=N)C(NC1C(N(C(C(N(C(C(NC2C(C)C)=O)CC3=CC=C(O)C=C3)C)=O)CC(C)C)C(O)CC1)=O)=O)C(C(OC2=O)C)NC(C(CCC(O)=O)NC(CCCC)=O)=O
+CH$IUPAC: InChI=1S/C46H72N10O13/c1-8-9-12-34(58)50-30(18-20-36(60)61)40(63)54-38-26(6)69-45(68)37(25(4)5)53-41(64)32(23-27-13-15-28(57)16-14-27)55(7)44(67)33(22-24(2)3)56-35(59)19-17-31(43(56)66)52-39(62)29(51-42(38)65)11-10-21-49-46(47)48/h13-16,24-26,29-33,35,37-38,57,59H,8-12,17-23H2,1-7H3,(H,50,58)(H,51,65)(H,52,62)(H,53,64)(H,54,63)(H,60,61)(H4,47,48,49)
+CH$LINK: PUBCHEM CID:155802244
+CH$LINK: INCHIKEY OHHAWMYRUPJTKQ-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 101-1014
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.207 min
+MS$FOCUSED_ION: BASE_PEAK 973.5322
+MS$FOCUSED_ION: PRECURSOR_M/Z 973.5353
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0udi-0910000000-ca605fa6d8fa0e98b032
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  107.0493 C7H7O+ 1 107.0491 1.49
+  111.0551 C5H7N2O+ 1 111.0553 -1.53
+  112.0866 C5H10N3+ 1 112.0869 -2.64
+  112.1119 C7H14N+ 1 112.1121 -1.33
+  113.0706 C5H9N2O+ 1 113.0709 -2.62
+  114.0546 C5H8NO2+ 1 114.055 -2.88
+  114.1024 C5H12N3+ 1 114.1026 -1.31
+  115.0864 C5H11N2O+ 1 115.0866 -1.98
+  119.049 C8H7O+ 1 119.0491 -0.78
+  121.0645 C8H9O+ 1 121.0648 -2.31
+  124.1117 C8H14N+ 1 124.1121 -2.77
+  125.0708 C6H9N2O+ 1 125.0709 -1.4
+  127.0863 C6H11N2O+ 1 127.0866 -2.61
+  135.0676 C8H9NO+ 1 135.0679 -1.85
+  136.1117 C9H14N+ 1 136.1121 -2.49
+  138.0659 C6H8N3O+ 1 138.0662 -1.96
+  138.0905 C6H10N4+ 1 138.09 3.3
+  140.1428 C9H18N+ 1 140.1434 -3.79
+  141.0655 C6H9N2O2+ 1 141.0659 -2.18
+  141.102 C7H13N2O+ 1 141.1022 -1.48
+  149.0711 C8H9N2O+ 1 149.0709 1.08
+  150.0908 C9H12NO+ 1 150.0913 -3.27
+  153.0654 C7H9N2O2+ 1 153.0659 -3.1
+  153.1017 C8H13N2O+ 1 153.1022 -3.56
+  153.1381 C9H17N2+ 1 153.1386 -3.22
+  157.1078 C6H13N4O+ 3 157.1084 -3.81
+  162.1021 C9H12N3+ 1 162.1026 -3.02
+  164.07 C7H8N4O+ 2 164.0693 4.62
+  164.1061 C8H12N4+ 1 164.1056 2.98
+  165.1014 C7H11N5+ 1 165.1009 2.94
+  166.0968 C6H10N6+ 2 166.0961 3.72
+  170.0912 C5H10N6O+ 1 170.0911 1.08
+  171.0761 C7H11N2O3+ 1 171.0764 -2.12
+  174.0908 C9H10N4+ 2 174.09 4.64
+  179.129 C9H15N4+ 1 179.1291 -0.66
+  180.1118 C7H12N6+ 1 180.1118 -0.23
+  181.1326 C8H15N5+ 1 181.1322 2.08
+  182.0919 C6H10N6O+ 2 182.0911 4.61
+  186.112 C9H16NO3+ 2 186.1125 -2.45
+  195.1237 C9H15N4O+ 1 195.124 -1.64
+  197.1026 C7H17O6+ 3 197.102 3.3
+  199.0704 C6H9N5O3+ 2 199.07 2.08
+  207.1484 C10H17N5+ 2 207.1478 2.8
+  208.1072 C8H12N6O+ 2 208.1067 2.48
+  209.1271 C9H15N5O+ 1 209.1271 -0.16
+  216.0972 C8H14N3O4+ 2 216.0979 -3.05
+  216.1332 C7H16N6O2+ 2 216.1329 1.36
+  218.1532 C12H18N4+ 2 218.1526 2.61
+  223.1181 C9H19O6+ 3 223.1176 2.05
+  236.1015 C9H12N6O2+ 1 236.1016 -0.4
+  240.1438 C8H16N8O+ 3 240.1442 -1.46
+  245.1027 C12H13N4O2+ 3 245.1033 -2.64
+  251.1404 CH23N4O10+ 1 251.1409 -1.88
+  257.1713 C9H25N2O6+ 3 257.1707 2.18
+  274.1427 H20N9O8+ 4 274.1429 -0.7
+  325.1973 C13H29N2O7+ 3 325.1969 1.25
+  436.2185 C34H28+ 8 436.2186 -0.05
+PK$NUM_PEAK: 57
+PK$PEAK: m/z int. rel.int.
+  107.0493 143954.4 14
+  111.0551 157319.9 15
+  112.0866 1873697.2 188
+  112.1119 346178.1 34
+  113.0706 1612150.5 162
+  114.0546 209473.1 21
+  114.1024 130704 13
+  115.0864 791239.8 79
+  119.049 178152.5 17
+  121.0645 423634.5 42
+  124.1117 483230.5 48
+  125.0708 165987.8 16
+  127.0863 99377.1 10
+  135.0676 271017.1 27
+  136.1117 1051720.5 105
+  138.0659 1071481.9 107
+  138.0905 169785.8 17
+  140.1428 113621.7 11
+  141.0655 182709.9 18
+  141.102 170419.7 17
+  149.0711 220833.5 22
+  150.0908 9913406 999
+  153.0654 396724 39
+  153.1017 265670.4 26
+  153.1381 934031.2 94
+  157.1078 379293 38
+  162.1021 149235.8 15
+  164.07 149051 15
+  164.1061 173136.3 17
+  165.1014 151206 15
+  166.0968 129081.2 13
+  170.0912 105966.1 10
+  171.0761 116745.3 11
+  174.0908 152123.1 15
+  179.129 258111 26
+  180.1118 247520 24
+  181.1326 2385883.5 240
+  182.0919 132895.2 13
+  186.112 125820.1 12
+  195.1237 370472 37
+  197.1026 722542.1 72
+  199.0704 876212.5 88
+  207.1484 318852.4 32
+  208.1072 209639.5 21
+  209.1271 501333.9 50
+  216.0972 265453.5 26
+  216.1332 103068.3 10
+  218.1532 113579.9 11
+  223.1181 1557768.1 156
+  236.1015 113923.4 11
+  240.1438 458512.9 46
+  245.1027 182106.7 18
+  251.1404 168019.3 16
+  257.1713 140264.6 14
+  274.1427 1352706.4 136
+  325.1973 133084.9 13
+  436.2185 282543.5 28
+//
diff --git a/Eawag/MSBNK-EAWAG-ED063907.txt b/Eawag/MSBNK-EAWAG-ED063907.txt
new file mode 100644
index 0000000000..b4fca684ff
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED063907.txt
@@ -0,0 +1,168 @@
+ACCESSION: MSBNK-EAWAG-ED063907
+RECORD_TITLE: Cyanopeptolin 972; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.aquatox.2023.106689
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 638
+CH$NAME: Cyanopeptolin 972
+CH$NAME: 5-[[15-[3-(diaminomethylideneamino)propyl]-21-hydroxy-5-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-2-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-5-oxo-4-(pentanoylamino)pentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C46H72N10O13
+CH$EXACT_MASS: 972.5280324
+CH$SMILES: O=C(NC(CCCNC(N)=N)C(NC1C(N(C(C(N(C(C(NC2C(C)C)=O)CC3=CC=C(O)C=C3)C)=O)CC(C)C)C(O)CC1)=O)=O)C(C(OC2=O)C)NC(C(CCC(O)=O)NC(CCCC)=O)=O
+CH$IUPAC: InChI=1S/C46H72N10O13/c1-8-9-12-34(58)50-30(18-20-36(60)61)40(63)54-38-26(6)69-45(68)37(25(4)5)53-41(64)32(23-27-13-15-28(57)16-14-27)55(7)44(67)33(22-24(2)3)56-35(59)19-17-31(43(56)66)52-39(62)29(51-42(38)65)11-10-21-49-46(47)48/h13-16,24-26,29-33,35,37-38,57,59H,8-12,17-23H2,1-7H3,(H,50,58)(H,51,65)(H,52,62)(H,53,64)(H,54,63)(H,60,61)(H4,47,48,49)
+CH$LINK: PUBCHEM CID:155802244
+CH$LINK: INCHIKEY OHHAWMYRUPJTKQ-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 101-1014
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.207 min
+MS$FOCUSED_ION: BASE_PEAK 973.5322
+MS$FOCUSED_ION: PRECURSOR_M/Z 973.5353
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0udi-0900000000-8cb1a3c521def2244e30
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  107.0489 C7H7O+ 1 107.0491 -2.5
+  110.0599 C6H8NO+ 1 110.06 -0.94
+  110.0711 C5H8N3+ 1 110.0713 -1.38
+  111.055 C5H7N2O+ 1 111.0553 -2.7
+  111.0912 C6H11N2+ 1 111.0917 -4.08
+  112.0392 C5H6NO2+ 1 112.0393 -0.83
+  112.0867 C5H10N3+ 1 112.0869 -2.43
+  112.112 C7H14N+ 1 112.1121 -0.92
+  113.0707 C5H9N2O+ 1 113.0709 -2.35
+  114.0546 C5H8NO2+ 1 114.055 -3.21
+  114.1025 C5H12N3+ 1 114.1026 -0.51
+  115.0862 C5H11N2O+ 1 115.0866 -2.97
+  119.049 C8H7O+ 1 119.0491 -1.35
+  121.0645 C8H9O+ 1 121.0648 -2.31
+  124.0865 C6H10N3+ 1 124.0869 -3.77
+  124.1118 C8H14N+ 1 124.1121 -2.34
+  125.0709 C6H9N2O+ 1 125.0709 -0.3
+  125.1072 C7H13N2+ 1 125.1073 -0.92
+  129.0657 C5H9N2O2+ 1 129.0659 -1.31
+  135.0673 C8H9NO+ 1 135.0679 -4.22
+  136.0388 C7H6NO2+ 1 136.0393 -3.82
+  136.1116 C9H14N+ 1 136.1121 -3.39
+  137.0711 C7H9N2O+ 1 137.0709 1.03
+  137.1069 C8H13N2+ 1 137.1073 -3.16
+  138.0541 C5H6N4O+ 1 138.0536 3.81
+  138.0659 C6H8N3O+ 1 138.0662 -2.07
+  138.0905 C6H10N4+ 1 138.09 3.97
+  140.0816 C6H10N3O+ 1 140.0818 -1.84
+  140.1433 C9H18N+ 1 140.1434 -0.41
+  141.0654 C6H9N2O2+ 1 141.0659 -3.37
+  141.1021 C7H13N2O+ 1 141.1022 -1.05
+  148.0747 C7H8N4+ 1 148.0743 2.65
+  149.0704 C8H9N2O+ 1 149.0709 -3.84
+  150.0908 C9H12NO+ 1 150.0913 -3.57
+  153.0656 C7H9N2O2+ 1 153.0659 -1.9
+  153.1019 C8H13N2O+ 1 153.1022 -2.26
+  153.138 C9H17N2+ 1 153.1386 -4.11
+  155.0805 C5H9N5O+ 1 155.0802 2.3
+  162.1026 C9H12N3+ 1 162.1026 0.47
+  163.0859 C9H11N2O+ 2 163.0866 -4.51
+  164.1058 C8H12N4+ 1 164.1056 1.22
+  165.1014 C7H11N5+ 1 165.1009 3.13
+  166.0966 C6H10N6+ 1 166.0961 2.98
+  170.0913 C5H10N6O+ 1 170.0911 1.62
+  171.0758 C7H11N2O3+ 2 171.0764 -3.64
+  174.0908 C9H10N4+ 2 174.09 4.46
+  178.0845 C8H10N4O+ 1 178.0849 -2.39
+  180.0764 C8H10N3O2+ 1 180.0768 -2.13
+  180.1121 C7H12N6+ 1 180.1118 1.88
+  181.1324 C8H15N5+ 1 181.1322 1.15
+  182.0916 C6H10N6O+ 2 182.0911 2.85
+  195.1238 C9H15N4O+ 1 195.124 -1.4
+  197.1022 C7H17O6+ 2 197.102 1.06
+  199.0705 C6H9N5O3+ 2 199.07 2.77
+  214.1067 C8H14N4O3+ 2 214.106 3.13
+  216.0975 C8H14N3O4+ 2 216.0979 -1.63
+  223.1182 C9H19O6+ 3 223.1176 2.73
+  236.1021 C9H12N6O2+ 2 236.1016 2.06
+  240.1446 C9H22NO6+ 3 240.1442 2.02
+  241.1293 C9H21O7+ 3 241.1282 4.65
+  245.1041 C12H13N4O2+ 3 245.1033 3.15
+  292.1401 C13H18N5O3+ 3 292.1404 -1.01
+  338.1449 C13H24NO9+ 4 338.1446 1.12
+PK$NUM_PEAK: 63
+PK$PEAK: m/z int. rel.int.
+  107.0489 422633.2 45
+  110.0599 132891.2 14
+  110.0711 108646.3 11
+  111.055 411525.7 44
+  111.0912 100162.5 10
+  112.0392 124789.4 13
+  112.0867 1792826 194
+  112.112 299584.7 32
+  113.0707 1636385.9 177
+  114.0546 257621.5 27
+  114.1025 136393.7 14
+  115.0862 994706 108
+  119.049 315671.9 34
+  121.0645 755823.7 82
+  124.0865 93830 10
+  124.1118 595725.8 64
+  125.0709 401260 43
+  125.1072 108196.5 11
+  129.0657 198636.4 21
+  135.0673 514286.8 55
+  136.0388 169269.6 18
+  136.1116 1229831.5 133
+  137.0711 111805.4 12
+  137.1069 112358.5 12
+  138.0541 127022.2 13
+  138.0659 819931.9 89
+  138.0905 279412.9 30
+  140.0816 266448.8 28
+  140.1433 105498.5 11
+  141.0654 238454.9 25
+  141.1021 275967.8 29
+  148.0747 102691.4 11
+  149.0704 510837.3 55
+  150.0908 9195984 999
+  153.0656 693151.4 75
+  153.1019 367930.9 39
+  153.138 538594.7 58
+  155.0805 102173 11
+  162.1026 196934.8 21
+  163.0859 108330.1 11
+  164.1058 191179.3 20
+  165.1014 121383.3 13
+  166.0966 115465 12
+  170.0913 131349.4 14
+  171.0758 141339.3 15
+  174.0908 124276.1 13
+  178.0845 201173 21
+  180.0764 132445.8 14
+  180.1121 241986.6 26
+  181.1324 901961.2 97
+  182.0916 142079.5 15
+  195.1238 208614.5 22
+  197.1022 447792.4 48
+  199.0705 656426.9 71
+  214.1067 109385.8 11
+  216.0975 238783.8 25
+  223.1182 517964 56
+  236.1021 113427.1 12
+  240.1446 135418.1 14
+  241.1293 208465.8 22
+  245.1041 140790.4 15
+  292.1401 153229.7 16
+  338.1449 156681.9 17
+//
diff --git a/Eawag/MSBNK-EAWAG-ED063908.txt b/Eawag/MSBNK-EAWAG-ED063908.txt
new file mode 100644
index 0000000000..c0601d8408
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED063908.txt
@@ -0,0 +1,166 @@
+ACCESSION: MSBNK-EAWAG-ED063908
+RECORD_TITLE: Cyanopeptolin 972; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.aquatox.2023.106689
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 638
+CH$NAME: Cyanopeptolin 972
+CH$NAME: 5-[[15-[3-(diaminomethylideneamino)propyl]-21-hydroxy-5-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-2-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-5-oxo-4-(pentanoylamino)pentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C46H72N10O13
+CH$EXACT_MASS: 972.5280324
+CH$SMILES: O=C(NC(CCCNC(N)=N)C(NC1C(N(C(C(N(C(C(NC2C(C)C)=O)CC3=CC=C(O)C=C3)C)=O)CC(C)C)C(O)CC1)=O)=O)C(C(OC2=O)C)NC(C(CCC(O)=O)NC(CCCC)=O)=O
+CH$IUPAC: InChI=1S/C46H72N10O13/c1-8-9-12-34(58)50-30(18-20-36(60)61)40(63)54-38-26(6)69-45(68)37(25(4)5)53-41(64)32(23-27-13-15-28(57)16-14-27)55(7)44(67)33(22-24(2)3)56-35(59)19-17-31(43(56)66)52-39(62)29(51-42(38)65)11-10-21-49-46(47)48/h13-16,24-26,29-33,35,37-38,57,59H,8-12,17-23H2,1-7H3,(H,50,58)(H,51,65)(H,52,62)(H,53,64)(H,54,63)(H,60,61)(H4,47,48,49)
+CH$LINK: PUBCHEM CID:155802244
+CH$LINK: INCHIKEY OHHAWMYRUPJTKQ-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 101-1014
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.207 min
+MS$FOCUSED_ION: BASE_PEAK 973.5322
+MS$FOCUSED_ION: PRECURSOR_M/Z 973.5353
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0udi-0900000000-73174be1ade19add9b1f
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  106.065 C7H8N+ 1 106.0651 -1.28
+  107.049 C7H7O+ 1 107.0491 -1.5
+  108.0807 C7H10N+ 1 108.0808 -0.97
+  109.0647 C7H9O+ 1 109.0648 -1.25
+  110.06 C6H8NO+ 1 110.06 -0.73
+  110.0711 C5H8N3+ 1 110.0713 -1.66
+  111.0552 C5H7N2O+ 1 111.0553 -0.64
+  111.0916 C6H11N2+ 1 111.0917 -0.44
+  112.0391 C5H6NO2+ 1 112.0393 -1.99
+  112.0867 C5H10N3+ 1 112.0869 -1.75
+  112.1121 C7H14N+ 1 112.1121 0.24
+  113.0708 C5H9N2O+ 1 113.0709 -1.41
+  114.0549 C5H8NO2+ 1 114.055 -0.87
+  114.1023 C5H12N3+ 1 114.1026 -2.51
+  115.0864 C5H11N2O+ 1 115.0866 -1.65
+  119.049 C8H7O+ 1 119.0491 -1.48
+  121.0646 C8H9O+ 1 121.0648 -1.68
+  123.0552 C6H7N2O+ 1 123.0553 -0.61
+  124.0758 C7H10NO+ 1 124.0757 1.05
+  124.0867 C6H10N3+ 1 124.0869 -1.5
+  124.1117 C8H14N+ 1 124.1121 -2.9
+  125.0706 C6H9N2O+ 1 125.0709 -2.74
+  127.0865 C6H11N2O+ 1 127.0866 -0.99
+  127.0975 C5H11N4+ 1 127.0978 -2.51
+  129.0655 C5H9N2O2+ 1 129.0659 -2.37
+  132.0803 C9H10N+ 1 132.0808 -3.75
+  135.0676 C8H9NO+ 1 135.0679 -2.19
+  136.0388 C7H6NO2+ 1 136.0393 -4.04
+  136.0752 C8H10NO+ 1 136.0757 -3.43
+  136.1117 C9H14N+ 1 136.1121 -2.6
+  137.0706 C7H9N2O+ 1 137.0709 -2.42
+  137.107 C8H13N2+ 1 137.1073 -2.04
+  138.0543 C5H6N4O+ 2 138.0536 4.91
+  138.0659 C6H8N3O+ 1 138.0662 -2.4
+  139.0498 C6H7N2O2+ 1 139.0502 -2.81
+  140.0817 C6H10N3O+ 1 140.0818 -0.75
+  141.0654 C6H9N2O2+ 1 141.0659 -2.93
+  141.1018 C7H13N2O+ 1 141.1022 -3.32
+  147.0911 C9H11N2+ 1 147.0917 -3.67
+  149.0706 C8H9N2O+ 1 149.0709 -2.51
+  150.0908 C9H12NO+ 1 150.0913 -3.57
+  153.0654 C7H9N2O2+ 1 153.0659 -3.2
+  153.1016 C8H13N2O+ 2 153.1022 -4.35
+  153.1381 C9H17N2+ 1 153.1386 -3.32
+  155.0804 C5H9N5O+ 1 155.0802 1.32
+  157.1079 C6H13N4O+ 1 157.1084 -3.23
+  162.1023 C9H12N3+ 1 162.1026 -1.89
+  163.0862 C9H11N2O+ 1 163.0866 -2.55
+  164.1055 C8H12N4+ 1 164.1056 -0.83
+  165.1017 C7H11N5+ 2 165.1009 4.79
+  166.0969 C8H12N3O+ 2 166.0975 -3.72
+  171.0761 C7H11N2O3+ 1 171.0764 -1.94
+  174.0905 C9H10N4+ 1 174.09 2.71
+  178.0965 C7H10N6+ 1 178.0961 2.05
+  179.128 C8H19O4+ 1 179.1278 1.1
+  180.1123 C7H12N6+ 2 180.1118 2.73
+  181.1318 C8H15N5+ 1 181.1322 -2.13
+  182.0914 C6H10N6O+ 1 182.0911 2.02
+  207.1471 C10H17N5+ 2 207.1478 -3.46
+  208.1071 C8H12N6O+ 2 208.1067 1.68
+  216.0973 C8H14N3O4+ 2 216.0979 -2.48
+  245.1042 C12H13N4O2+ 3 245.1033 3.77
+PK$NUM_PEAK: 62
+PK$PEAK: m/z int. rel.int.
+  106.065 80685.7 12
+  107.049 486957.5 78
+  108.0807 144180.4 23
+  109.0647 142124.2 22
+  110.06 197458.4 31
+  110.0711 98166 15
+  111.0552 483426.8 77
+  111.0916 81312.4 13
+  112.0391 124367.5 19
+  112.0867 1218373 195
+  112.1121 131336.2 21
+  113.0708 854307.6 137
+  114.0549 274068.6 44
+  114.1023 100011.7 16
+  115.0864 679334.2 109
+  119.049 546521.3 87
+  121.0646 852296.8 136
+  123.0552 71695.6 11
+  124.0758 65156.6 10
+  124.0867 94013.9 15
+  124.1117 381967.2 61
+  125.0706 536738.8 86
+  127.0865 81525.5 13
+  127.0975 80733.2 12
+  129.0655 282417.4 45
+  132.0803 92034.1 14
+  135.0676 710988.4 114
+  136.0388 239168.8 38
+  136.0752 95446.6 15
+  136.1117 810457.2 130
+  137.0706 160158.5 25
+  137.107 84321 13
+  138.0543 117914.3 18
+  138.0659 588984.6 94
+  139.0498 76262.3 12
+  140.0817 203909.8 32
+  141.0654 187454.8 30
+  141.1018 207649.3 33
+  147.0911 63138.6 10
+  149.0706 578678.8 93
+  150.0908 6215088.5 999
+  153.0654 501667.3 80
+  153.1016 288838.3 46
+  153.1381 240661.8 38
+  155.0804 85435 13
+  157.1079 80905.8 13
+  162.1023 181526.8 29
+  163.0862 65228.5 10
+  164.1055 84417.4 13
+  165.1017 134117 21
+  166.0969 103856 16
+  171.0761 118458.9 19
+  174.0905 100674.7 16
+  178.0965 130281.3 20
+  179.128 68496.4 11
+  180.1123 104878.9 16
+  181.1318 217857.9 35
+  182.0914 112803.2 18
+  207.1471 67486.3 10
+  208.1071 123276.7 19
+  216.0973 91216.1 14
+  245.1042 71201.5 11
+//
diff --git a/Eawag/MSBNK-EAWAG-ED063909.txt b/Eawag/MSBNK-EAWAG-ED063909.txt
new file mode 100644
index 0000000000..edde1adfd8
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED063909.txt
@@ -0,0 +1,152 @@
+ACCESSION: MSBNK-EAWAG-ED063909
+RECORD_TITLE: Cyanopeptolin 972; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.aquatox.2023.106689
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 638
+CH$NAME: Cyanopeptolin 972
+CH$NAME: 5-[[15-[3-(diaminomethylideneamino)propyl]-21-hydroxy-5-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-2-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-5-oxo-4-(pentanoylamino)pentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C46H72N10O13
+CH$EXACT_MASS: 972.5280324
+CH$SMILES: O=C(NC(CCCNC(N)=N)C(NC1C(N(C(C(N(C(C(NC2C(C)C)=O)CC3=CC=C(O)C=C3)C)=O)CC(C)C)C(O)CC1)=O)=O)C(C(OC2=O)C)NC(C(CCC(O)=O)NC(CCCC)=O)=O
+CH$IUPAC: InChI=1S/C46H72N10O13/c1-8-9-12-34(58)50-30(18-20-36(60)61)40(63)54-38-26(6)69-45(68)37(25(4)5)53-41(64)32(23-27-13-15-28(57)16-14-27)55(7)44(67)33(22-24(2)3)56-35(59)19-17-31(43(56)66)52-39(62)29(51-42(38)65)11-10-21-49-46(47)48/h13-16,24-26,29-33,35,37-38,57,59H,8-12,17-23H2,1-7H3,(H,50,58)(H,51,65)(H,52,62)(H,53,64)(H,54,63)(H,60,61)(H4,47,48,49)
+CH$LINK: PUBCHEM CID:155802244
+CH$LINK: INCHIKEY OHHAWMYRUPJTKQ-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 101-1014
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.207 min
+MS$FOCUSED_ION: BASE_PEAK 973.5322
+MS$FOCUSED_ION: PRECURSOR_M/Z 973.5353
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0udi-0900000000-cd1a5410a073417003d0
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  106.065 C7H8N+ 1 106.0651 -1.64
+  107.049 C7H7O+ 1 107.0491 -1.57
+  108.0807 C7H10N+ 1 108.0808 -0.83
+  109.0648 C7H9O+ 1 109.0648 0.29
+  110.0713 C5H8N3+ 1 110.0713 0.42
+  111.0551 C5H7N2O+ 1 111.0553 -1.73
+  111.0918 C6H11N2+ 1 111.0917 1.35
+  112.0395 C5H6NO2+ 1 112.0393 1.48
+  112.0867 C5H10N3+ 1 112.0869 -1.89
+  112.1121 C7H14N+ 1 112.1121 0.64
+  113.0708 C5H9N2O+ 1 113.0709 -1.21
+  114.0544 C5H8NO2+ 1 114.055 -4.48
+  114.1025 C5H12N3+ 1 114.1026 -0.51
+  115.0864 C5H11N2O+ 1 115.0866 -1.38
+  118.0651 C8H8N+ 1 118.0651 -0.41
+  119.0489 C8H7O+ 1 119.0491 -2.44
+  121.0646 C8H9O+ 1 121.0648 -1.68
+  123.0547 C6H7N2O+ 1 123.0553 -4.7
+  124.0756 C7H10NO+ 1 124.0757 -0.92
+  124.0867 C6H10N3+ 1 124.0869 -1.93
+  125.0707 C6H9N2O+ 1 125.0709 -2.07
+  125.107 C7H13N2+ 1 125.1073 -2.57
+  127.0865 C6H11N2O+ 1 127.0866 -0.57
+  127.0976 C5H11N4+ 1 127.0978 -1.79
+  129.0661 C5H9N2O2+ 1 129.0659 1.77
+  132.0804 C9H10N+ 1 132.0808 -2.48
+  135.0673 C8H9NO+ 1 135.0679 -4.22
+  136.0389 C7H6NO2+ 1 136.0393 -3.26
+  136.0752 C8H10NO+ 1 136.0757 -3.77
+  136.1117 C9H14N+ 1 136.1121 -2.6
+  137.0708 C7H9N2O+ 1 137.0709 -1.2
+  137.1073 C8H13N2+ 1 137.1073 -0.48
+  138.054 C5H6N4O+ 1 138.0536 2.59
+  138.0659 C6H8N3O+ 1 138.0662 -1.74
+  138.0906 C6H10N4+ 1 138.09 4.41
+  139.05 C6H7N2O2+ 1 139.0502 -1.6
+  140.0812 C6H10N3O+ 2 140.0818 -4.89
+  141.0653 C6H9N2O2+ 1 141.0659 -3.8
+  141.1016 C7H13N2O+ 1 141.1022 -4.29
+  147.092 C9H11N2+ 1 147.0917 2.14
+  148.0748 C7H8N4+ 1 148.0743 2.96
+  149.0703 C8H9N2O+ 2 149.0709 -4.45
+  150.0907 C9H12NO+ 2 150.0913 -4.18
+  153.0653 C7H9N2O2+ 1 153.0659 -3.7
+  162.1023 C9H12N3+ 1 162.1026 -1.7
+  163.0862 C9H11N2O+ 1 163.0866 -2.27
+  164.1061 C8H12N4+ 1 164.1056 2.8
+  165.1016 C7H11N5+ 2 165.1009 4.33
+  166.097 C8H12N3O+ 1 166.0975 -3.08
+  170.0908 C5H10N6O+ 1 170.0911 -1.79
+  174.0899 C9H10N4+ 1 174.09 -0.8
+  178.0968 C7H10N6+ 2 178.0961 3.93
+  180.0766 C8H10N3O2+ 1 180.0768 -0.95
+  181.0969 C9H13N2O2+ 1 181.0972 -1.49
+  197.1031 C8H13N4O2+ 1 197.1033 -1.08
+PK$NUM_PEAK: 55
+PK$PEAK: m/z int. rel.int.
+  106.065 140527.4 36
+  107.049 902244 235
+  108.0807 178784.1 46
+  109.0648 210103.6 54
+  110.0713 159042.7 41
+  111.0551 515497.4 134
+  111.0918 109234.6 28
+  112.0395 98270.5 25
+  112.0867 821070.1 214
+  112.1121 71449.8 18
+  113.0708 450906.5 117
+  114.0544 204043.9 53
+  114.1025 101462 26
+  115.0864 532953.2 139
+  118.0651 75139.4 19
+  119.0489 577612.1 150
+  121.0646 738858.2 192
+  123.0547 57686 15
+  124.0756 60494.3 15
+  124.0867 102699 26
+  125.0707 517401.7 134
+  125.107 122722 32
+  127.0865 55952.7 14
+  127.0976 70334.2 18
+  129.0661 166405.5 43
+  132.0804 136932.5 35
+  135.0673 1174876.1 306
+  136.0389 182924.5 47
+  136.0752 81170.3 21
+  136.1117 497090.7 129
+  137.0708 159733.8 41
+  137.1073 115668 30
+  138.054 78155.6 20
+  138.0659 348636.8 90
+  138.0906 204532.5 53
+  139.05 64603.3 16
+  140.0812 91344.4 23
+  141.0653 143574.2 37
+  141.1016 82543.8 21
+  147.092 58752.6 15
+  148.0748 63971.7 16
+  149.0703 544148.5 141
+  150.0907 3829329.5 999
+  153.0653 178306.9 46
+  162.1023 115519.5 30
+  163.0862 57746.9 15
+  164.1061 58555.1 15
+  165.1016 86965.4 22
+  166.097 43440.7 11
+  170.0908 53432.4 13
+  174.0899 48040.5 12
+  178.0968 100521.5 26
+  180.0766 59332.1 15
+  181.0969 146710.9 38
+  197.1031 55512.5 14
+//
diff --git a/Eawag/MSBNK-EAWAG-ED063951.txt b/Eawag/MSBNK-EAWAG-ED063951.txt
new file mode 100644
index 0000000000..eadef6db0c
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED063951.txt
@@ -0,0 +1,48 @@
+ACCESSION: MSBNK-EAWAG-ED063951
+RECORD_TITLE: Cyanopeptolin 972; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.aquatox.2023.106689
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 638
+CH$NAME: Cyanopeptolin 972
+CH$NAME: 5-[[15-[3-(diaminomethylideneamino)propyl]-21-hydroxy-5-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-2-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-5-oxo-4-(pentanoylamino)pentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C46H72N10O13
+CH$EXACT_MASS: 972.5280324
+CH$SMILES: O=C(NC(CCCNC(N)=N)C(NC1C(N(C(C(N(C(C(NC2C(C)C)=O)CC3=CC=C(O)C=C3)C)=O)CC(C)C)C(O)CC1)=O)=O)C(C(OC2=O)C)NC(C(CCC(O)=O)NC(CCCC)=O)=O
+CH$IUPAC: InChI=1S/C46H72N10O13/c1-8-9-12-34(58)50-30(18-20-36(60)61)40(63)54-38-26(6)69-45(68)37(25(4)5)53-41(64)32(23-27-13-15-28(57)16-14-27)55(7)44(67)33(22-24(2)3)56-35(59)19-17-31(43(56)66)52-39(62)29(51-42(38)65)11-10-21-49-46(47)48/h13-16,24-26,29-33,35,37-38,57,59H,8-12,17-23H2,1-7H3,(H,50,58)(H,51,65)(H,52,62)(H,53,64)(H,54,63)(H,60,61)(H4,47,48,49)
+CH$LINK: PUBCHEM CID:155802244
+CH$LINK: INCHIKEY OHHAWMYRUPJTKQ-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 101-1012
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.194 min
+MS$FOCUSED_ION: BASE_PEAK 971.5212
+MS$FOCUSED_ION: PRECURSOR_M/Z 971.5208
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00di-0000000009-b8f07911f3bd0a7941f7
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  838.4103 C40H56N9O11- 5 838.4105 -0.18
+  953.5107 C46H69N10O12- 1 953.5102 0.58
+  971.5217 C46H71N10O13- 1 971.5208 0.95
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  838.4103 641692.1 16
+  953.5107 1704851 44
+  971.5217 38706000 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED063952.txt b/Eawag/MSBNK-EAWAG-ED063952.txt
new file mode 100644
index 0000000000..ee73469076
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED063952.txt
@@ -0,0 +1,58 @@
+ACCESSION: MSBNK-EAWAG-ED063952
+RECORD_TITLE: Cyanopeptolin 972; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.aquatox.2023.106689
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 638
+CH$NAME: Cyanopeptolin 972
+CH$NAME: 5-[[15-[3-(diaminomethylideneamino)propyl]-21-hydroxy-5-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-2-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-5-oxo-4-(pentanoylamino)pentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C46H72N10O13
+CH$EXACT_MASS: 972.5280324
+CH$SMILES: O=C(NC(CCCNC(N)=N)C(NC1C(N(C(C(N(C(C(NC2C(C)C)=O)CC3=CC=C(O)C=C3)C)=O)CC(C)C)C(O)CC1)=O)=O)C(C(OC2=O)C)NC(C(CCC(O)=O)NC(CCCC)=O)=O
+CH$IUPAC: InChI=1S/C46H72N10O13/c1-8-9-12-34(58)50-30(18-20-36(60)61)40(63)54-38-26(6)69-45(68)37(25(4)5)53-41(64)32(23-27-13-15-28(57)16-14-27)55(7)44(67)33(22-24(2)3)56-35(59)19-17-31(43(56)66)52-39(62)29(51-42(38)65)11-10-21-49-46(47)48/h13-16,24-26,29-33,35,37-38,57,59H,8-12,17-23H2,1-7H3,(H,50,58)(H,51,65)(H,52,62)(H,53,64)(H,54,63)(H,60,61)(H4,47,48,49)
+CH$LINK: PUBCHEM CID:155802244
+CH$LINK: INCHIKEY OHHAWMYRUPJTKQ-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 101-1012
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.194 min
+MS$FOCUSED_ION: BASE_PEAK 971.5212
+MS$FOCUSED_ION: PRECURSOR_M/Z 971.5208
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00di-0000000009-1e0c3460684367be7784
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  531.268 C23H39N4O10- 8 531.2672 1.62
+  549.2789 C24H37N8O7- 8 549.2791 -0.23
+  664.3788 C30H50N9O8- 13 664.3788 -0.01
+  750.3952 C39H54N6O9- 9 750.3958 -0.73
+  758.4206 C36H56N9O9- 7 758.4206 -0.1
+  838.4104 C40H56N9O11- 5 838.4105 -0.04
+  953.5106 C46H69N10O12- 1 953.5102 0.39
+  971.5206 C46H71N10O13- 1 971.5208 -0.12
+PK$NUM_PEAK: 8
+PK$PEAK: m/z int. rel.int.
+  531.268 386065.9 18
+  549.2789 1233717.5 58
+  664.3788 753502.1 35
+  750.3952 784949.3 37
+  758.4206 432638.2 20
+  838.4104 2292637.5 108
+  953.5106 7781204 369
+  971.5206 21019920 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED063953.txt b/Eawag/MSBNK-EAWAG-ED063953.txt
new file mode 100644
index 0000000000..d3fe089b43
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED063953.txt
@@ -0,0 +1,76 @@
+ACCESSION: MSBNK-EAWAG-ED063953
+RECORD_TITLE: Cyanopeptolin 972; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.aquatox.2023.106689
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 638
+CH$NAME: Cyanopeptolin 972
+CH$NAME: 5-[[15-[3-(diaminomethylideneamino)propyl]-21-hydroxy-5-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-2-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-5-oxo-4-(pentanoylamino)pentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C46H72N10O13
+CH$EXACT_MASS: 972.5280324
+CH$SMILES: O=C(NC(CCCNC(N)=N)C(NC1C(N(C(C(N(C(C(NC2C(C)C)=O)CC3=CC=C(O)C=C3)C)=O)CC(C)C)C(O)CC1)=O)=O)C(C(OC2=O)C)NC(C(CCC(O)=O)NC(CCCC)=O)=O
+CH$IUPAC: InChI=1S/C46H72N10O13/c1-8-9-12-34(58)50-30(18-20-36(60)61)40(63)54-38-26(6)69-45(68)37(25(4)5)53-41(64)32(23-27-13-15-28(57)16-14-27)55(7)44(67)33(22-24(2)3)56-35(59)19-17-31(43(56)66)52-39(62)29(51-42(38)65)11-10-21-49-46(47)48/h13-16,24-26,29-33,35,37-38,57,59H,8-12,17-23H2,1-7H3,(H,50,58)(H,51,65)(H,52,62)(H,53,64)(H,54,63)(H,60,61)(H4,47,48,49)
+CH$LINK: PUBCHEM CID:155802244
+CH$LINK: INCHIKEY OHHAWMYRUPJTKQ-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 101-1012
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.194 min
+MS$FOCUSED_ION: BASE_PEAK 971.5212
+MS$FOCUSED_ION: PRECURSOR_M/Z 971.5208
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0udr-0000020149-e2706080fee0a3ac2c64
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  379.1712 C13H25N5O8- 6 379.1709 0.92
+  507.257 C37H33NO- 8 507.2568 0.39
+  531.268 C23H39N4O10- 8 531.2672 1.62
+  549.2788 C24H37N8O7- 8 549.2791 -0.45
+  664.3787 C30H50N9O8- 13 664.3788 -0.19
+  675.3831 C34H53N5O9- 11 675.3849 -2.59
+  721.3314 C37H47N5O10- 8 721.3328 -2.05
+  741.3942 C36H53N8O9- 7 741.3941 0.2
+  750.3947 C38H58N2O13- 7 750.3944 0.33
+  758.4202 C36H56N9O9- 7 758.4206 -0.59
+  821.3827 C40H53N8O11- 5 821.3839 -1.54
+  838.4106 C40H56N9O11- 5 838.4105 0.11
+  839.413 C46H57N5O10- 2 839.4111 2.29
+  911.4889 C45H67N8O12- 1 911.4884 0.59
+  936.4833 C46H66N9O12- 1 936.4836 -0.33
+  953.5104 C46H69N10O12- 1 953.5102 0.2
+  971.5204 C46H71N10O13- 1 971.5208 -0.37
+PK$NUM_PEAK: 17
+PK$PEAK: m/z int. rel.int.
+  379.1712 154113.8 13
+  507.257 151686.7 12
+  531.268 922370 78
+  549.2788 3123275 267
+  664.3787 340661.9 29
+  675.3831 248287.2 21
+  721.3314 182873.5 15
+  741.3942 119804.3 10
+  750.3947 1467418.4 125
+  758.4202 1285460.9 109
+  821.3827 267211.7 22
+  838.4106 8084645 691
+  839.413 562582.5 48
+  911.4889 230015.4 19
+  936.4833 246000.2 21
+  953.5104 11683868 999
+  971.5204 5790885.5 495
+//
diff --git a/Eawag/MSBNK-EAWAG-ED063954.txt b/Eawag/MSBNK-EAWAG-ED063954.txt
new file mode 100644
index 0000000000..c6b26c62e7
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED063954.txt
@@ -0,0 +1,84 @@
+ACCESSION: MSBNK-EAWAG-ED063954
+RECORD_TITLE: Cyanopeptolin 972; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.aquatox.2023.106689
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 638
+CH$NAME: Cyanopeptolin 972
+CH$NAME: 5-[[15-[3-(diaminomethylideneamino)propyl]-21-hydroxy-5-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-2-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-5-oxo-4-(pentanoylamino)pentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C46H72N10O13
+CH$EXACT_MASS: 972.5280324
+CH$SMILES: O=C(NC(CCCNC(N)=N)C(NC1C(N(C(C(N(C(C(NC2C(C)C)=O)CC3=CC=C(O)C=C3)C)=O)CC(C)C)C(O)CC1)=O)=O)C(C(OC2=O)C)NC(C(CCC(O)=O)NC(CCCC)=O)=O
+CH$IUPAC: InChI=1S/C46H72N10O13/c1-8-9-12-34(58)50-30(18-20-36(60)61)40(63)54-38-26(6)69-45(68)37(25(4)5)53-41(64)32(23-27-13-15-28(57)16-14-27)55(7)44(67)33(22-24(2)3)56-35(59)19-17-31(43(56)66)52-39(62)29(51-42(38)65)11-10-21-49-46(47)48/h13-16,24-26,29-33,35,37-38,57,59H,8-12,17-23H2,1-7H3,(H,50,58)(H,51,65)(H,52,62)(H,53,64)(H,54,63)(H,60,61)(H4,47,48,49)
+CH$LINK: PUBCHEM CID:155802244
+CH$LINK: INCHIKEY OHHAWMYRUPJTKQ-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 101-1012
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.194 min
+MS$FOCUSED_ION: BASE_PEAK 971.5212
+MS$FOCUSED_ION: PRECURSOR_M/Z 971.5208
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-000i-0000000292-328e7ae6624ff2196a9f
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  179.0454 C8H7N2O3- 2 179.0462 -4.44
+  221.0672 C9H9N4O3- 3 221.068 -3.49
+  251.114 C10H19O7- 3 251.1136 1.66
+  293.1508 C15H21N2O4- 3 293.1507 0.43
+  406.2354 C19H30N6O4- 7 406.2334 4.83
+  501.2719 C27H33N8O2- 7 501.2732 -2.51
+  531.268 C23H39N4O10- 9 531.2672 1.5
+  675.3833 C34H53N5O9- 11 675.3849 -2.32
+  721.3331 C37H47N5O10- 6 721.3328 0.31
+  741.3935 C36H53N8O9- 8 741.3941 -0.87
+  750.3949 C38H58N2O13- 9 750.3944 0.65
+  758.4204 C36H56N9O9- 7 758.4206 -0.35
+  794.415 C46H52N9O4- 5 794.4148 0.27
+  796.3881 C39H54N7O11- 6 796.3887 -0.76
+  821.3833 C40H53N8O11- 5 821.3839 -0.8
+  838.4107 C40H56N9O11- 5 838.4105 0.26
+  839.4132 C46H57N5O10- 2 839.4111 2.51
+  911.4867 C45H67N8O12- 1 911.4884 -1.82
+  936.4837 C46H66N9O12- 1 936.4836 0.06
+  953.5102 C46H69N10O12- 1 953.5102 0
+  971.5216 C46H71N10O13- 1 971.5208 0.83
+PK$NUM_PEAK: 21
+PK$PEAK: m/z int. rel.int.
+  179.0454 218909.5 20
+  221.0672 124445.3 11
+  251.114 211829.1 20
+  293.1508 247228.8 23
+  406.2354 117735.7 11
+  501.2719 388049.7 37
+  531.268 721272.9 69
+  675.3833 767148.9 73
+  721.3331 246225.2 23
+  741.3935 308650.7 29
+  750.3949 739682.3 70
+  758.4204 1450338.6 139
+  794.415 363701.1 34
+  796.3881 752328.9 72
+  821.3833 948363.4 90
+  838.4107 10416825 999
+  839.4132 733047.1 70
+  911.4867 148410.7 14
+  936.4837 176403.8 16
+  953.5102 2978040 285
+  971.5216 563679.1 54
+//
diff --git a/Eawag/MSBNK-EAWAG-ED063955.txt b/Eawag/MSBNK-EAWAG-ED063955.txt
new file mode 100644
index 0000000000..6551988917
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED063955.txt
@@ -0,0 +1,184 @@
+ACCESSION: MSBNK-EAWAG-ED063955
+RECORD_TITLE: Cyanopeptolin 972; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.aquatox.2023.106689
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 638
+CH$NAME: Cyanopeptolin 972
+CH$NAME: 5-[[15-[3-(diaminomethylideneamino)propyl]-21-hydroxy-5-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-2-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-5-oxo-4-(pentanoylamino)pentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C46H72N10O13
+CH$EXACT_MASS: 972.5280324
+CH$SMILES: O=C(NC(CCCNC(N)=N)C(NC1C(N(C(C(N(C(C(NC2C(C)C)=O)CC3=CC=C(O)C=C3)C)=O)CC(C)C)C(O)CC1)=O)=O)C(C(OC2=O)C)NC(C(CCC(O)=O)NC(CCCC)=O)=O
+CH$IUPAC: InChI=1S/C46H72N10O13/c1-8-9-12-34(58)50-30(18-20-36(60)61)40(63)54-38-26(6)69-45(68)37(25(4)5)53-41(64)32(23-27-13-15-28(57)16-14-27)55(7)44(67)33(22-24(2)3)56-35(59)19-17-31(43(56)66)52-39(62)29(51-42(38)65)11-10-21-49-46(47)48/h13-16,24-26,29-33,35,37-38,57,59H,8-12,17-23H2,1-7H3,(H,50,58)(H,51,65)(H,52,62)(H,53,64)(H,54,63)(H,60,61)(H4,47,48,49)
+CH$LINK: PUBCHEM CID:155802244
+CH$LINK: INCHIKEY OHHAWMYRUPJTKQ-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 101-1012
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.194 min
+MS$FOCUSED_ION: BASE_PEAK 971.5212
+MS$FOCUSED_ION: PRECURSOR_M/Z 971.5208
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-002u-0950022110-ab8a170adf8f60e775b6
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  107.0506 C7H7O- 1 107.0502 3.2
+  110.0248 C5H4NO2- 1 110.0248 0.22
+  112.0401 C5H6NO2- 1 112.0404 -2.33
+  113.0354 C4H5N2O2- 1 113.0357 -1.88
+  114.0922 C6H12NO- 1 114.0924 -1.7
+  116.0716 C5H10NO2- 1 116.0717 -0.75
+  119.0502 C8H7O- 1 119.0502 -0.64
+  123.0453 C7H7O2- 1 123.0452 1.31
+  124.0402 C6H6NO2- 1 124.0404 -1.37
+  124.0516 C5H6N3O- 1 124.0516 -0.54
+  125.0359 C5H5N2O2- 1 125.0357 2.14
+  127.0509 C5H7N2O2- 1 127.0513 -3.37
+  130.0983 C5H12N3O- 1 130.0986 -2.1
+  135.0561 C7H7N2O- 1 135.0564 -1.8
+  136.0403 C7H6NO2- 1 136.0404 -0.69
+  136.0771 C8H10NO- 1 136.0768 2.38
+  137.0352 C6H5N2O2- 1 137.0357 -3.07
+  140.0349 C6H6NO3- 1 140.0353 -3.13
+  141.1028 C7H13N2O- 1 141.1033 -4.13
+  142.0505 C6H8NO3- 1 142.051 -3.2
+  143.1187 C7H15N2O- 1 143.119 -2.07
+  148.0764 C9H10NO- 1 148.0768 -2.61
+  152.0832 C7H10N3O- 1 152.0829 1.66
+  153.0306 C6H5N2O3- 1 153.0306 0.5
+  153.0671 C7H9N2O2- 1 153.067 0.94
+  155.0938 C6H11N4O- 1 155.0938 -0.39
+  162.0552 C7H6N4O- 1 162.0547 3.24
+  165.1027 C9H13N2O- 2 165.1033 -3.92
+  166.0496 C6H6N4O2- 1 166.0496 -0.26
+  167.0813 C6H9N5O- 1 167.0813 0.13
+  169.0973 C6H11N5O- 1 169.0969 2.32
+  170.0922 C5H10N6O- 1 170.0922 0.41
+  172.1192 C5H18NO5- 2 172.119 1.18
+  178.0614 C8H8N3O2- 2 178.0622 -4.25
+  179.0454 C8H7N2O3- 2 179.0462 -4.52
+  181.0975 C7H11N5O- 2 181.0969 3.52
+  183.1131 C7H13N5O- 2 183.1126 2.84
+  187.1076 C6H13N5O2- 1 187.1075 0.77
+  195.0885 C8H11N4O2- 1 195.0887 -1.38
+  196.1088 C9H14N3O2- 1 196.1092 -1.75
+  198.0988 C7H12N5O2- 3 198.0996 -4.03
+  198.1244 C7H14N6O- 2 198.1235 4.87
+  200.1395 C7H16N6O- 2 200.1391 2.06
+  209.0923 C8H11N5O2- 2 209.0918 2.06
+  212.1144 C7H18NO6- 3 212.114 2.21
+  212.1401 C10H18N3O2- 2 212.1405 -1.82
+  218.1175 C11H14N4O- 1 218.1173 0.71
+  221.0677 C9H9N4O3- 3 221.068 -1.29
+  226.1189 C8H14N6O2- 2 226.1184 2.38
+  237.1235 C10H15N5O2- 2 237.1231 1.72
+  238.1561 C12H20N3O2- 1 238.1561 -0.01
+  240.1357 C11H18N3O3- 2 240.1354 1.48
+  251.1139 C10H19O7- 3 251.1136 1.23
+  289.1556 C16H21N2O3- 5 289.1558 -0.74
+  293.1508 C15H21N2O4- 3 293.1507 0.54
+  314.2194 C14H28N5O3- 4 314.2198 -1.28
+  339.212 C12H29N5O6- 4 339.2123 -1.08
+  379.1708 C13H25N5O8- 7 379.1709 -0.29
+  406.2345 C19H30N6O4- 6 406.2334 2.72
+  463.2584 C23H35N4O6- 8 463.2562 4.63
+  501.2719 C27H33N8O2- 7 501.2732 -2.57
+  507.2569 C37H33NO- 8 507.2568 0.21
+  549.2789 C24H37N8O7- 8 549.2791 -0.34
+  602.3296 C28H48N3O11- 10 602.3294 0.31
+  658.3563 C46H46N2O2- 11 658.3565 -0.35
+  675.3836 C34H53N5O9- 11 675.3849 -1.87
+  758.4208 C36H56N9O9- 7 758.4206 0.14
+  794.4156 C46H52N9O4- 6 794.4148 1.04
+  796.3894 C39H54N7O11- 6 796.3887 0.93
+  821.3834 C40H53N8O11- 5 821.3839 -0.65
+  838.4105 C40H56N9O11- 5 838.4105 0.04
+PK$NUM_PEAK: 71
+PK$PEAK: m/z int. rel.int.
+  107.0506 53339.5 56
+  110.0248 102879.6 108
+  112.0401 28313.3 29
+  113.0354 33261.1 35
+  114.0922 86204 91
+  116.0716 467314.5 494
+  119.0502 243754 258
+  123.0453 102435.6 108
+  124.0402 81252.6 86
+  124.0516 170101.8 180
+  125.0359 38061.2 40
+  127.0509 16655.8 17
+  130.0983 24541.5 25
+  135.0561 469692.3 497
+  136.0403 100677.6 106
+  136.0771 50080.2 53
+  137.0352 32871.5 34
+  140.0349 153564 162
+  141.1028 64014 67
+  142.0505 197805.7 209
+  143.1187 75937.2 80
+  148.0764 31899.4 33
+  152.0832 25728.3 27
+  153.0306 23204.5 24
+  153.0671 80815.7 85
+  155.0938 22247.2 23
+  162.0552 43913.9 46
+  165.1027 163887.2 173
+  166.0496 23957.6 25
+  167.0813 29529.2 31
+  169.0973 300586.7 318
+  170.0922 54765.1 58
+  172.1192 57023 60
+  178.0614 84387.6 89
+  179.0454 379248.5 401
+  181.0975 41923.3 44
+  183.1131 173159.8 183
+  187.1076 78317.3 82
+  195.0885 200082.6 211
+  196.1088 39608.7 41
+  198.0988 41323.5 43
+  198.1244 44178.2 46
+  200.1395 110526.2 117
+  209.0923 103688.7 109
+  212.1144 108689.2 115
+  212.1401 64418.1 68
+  218.1175 222555.3 235
+  221.0677 117670.9 124
+  226.1189 219894.1 232
+  237.1235 78472.4 83
+  238.1561 161172.6 170
+  240.1357 21510 22
+  251.1139 245600.8 260
+  289.1556 547559.4 579
+  293.1508 943143.7 999
+  314.2194 44436.6 47
+  339.212 44249.5 46
+  379.1708 104932.7 111
+  406.2345 279424.1 295
+  463.2584 111933.4 118
+  501.2719 549605.2 582
+  507.2569 254280.4 269
+  549.2789 265614.9 281
+  602.3296 61426.1 65
+  658.3563 389604.2 412
+  675.3836 829898.2 879
+  758.4208 234388.9 248
+  794.4156 72799.2 77
+  796.3894 313612.5 332
+  821.3834 317911.8 336
+  838.4105 557627.4 590
+//
diff --git a/Eawag/MSBNK-EAWAG-ED063956.txt b/Eawag/MSBNK-EAWAG-ED063956.txt
new file mode 100644
index 0000000000..9f792bd2ae
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED063956.txt
@@ -0,0 +1,218 @@
+ACCESSION: MSBNK-EAWAG-ED063956
+RECORD_TITLE: Cyanopeptolin 972; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.aquatox.2023.106689
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 638
+CH$NAME: Cyanopeptolin 972
+CH$NAME: 5-[[15-[3-(diaminomethylideneamino)propyl]-21-hydroxy-5-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-2-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-5-oxo-4-(pentanoylamino)pentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C46H72N10O13
+CH$EXACT_MASS: 972.5280324
+CH$SMILES: O=C(NC(CCCNC(N)=N)C(NC1C(N(C(C(N(C(C(NC2C(C)C)=O)CC3=CC=C(O)C=C3)C)=O)CC(C)C)C(O)CC1)=O)=O)C(C(OC2=O)C)NC(C(CCC(O)=O)NC(CCCC)=O)=O
+CH$IUPAC: InChI=1S/C46H72N10O13/c1-8-9-12-34(58)50-30(18-20-36(60)61)40(63)54-38-26(6)69-45(68)37(25(4)5)53-41(64)32(23-27-13-15-28(57)16-14-27)55(7)44(67)33(22-24(2)3)56-35(59)19-17-31(43(56)66)52-39(62)29(51-42(38)65)11-10-21-49-46(47)48/h13-16,24-26,29-33,35,37-38,57,59H,8-12,17-23H2,1-7H3,(H,50,58)(H,51,65)(H,52,62)(H,53,64)(H,54,63)(H,60,61)(H4,47,48,49)
+CH$LINK: PUBCHEM CID:155802244
+CH$LINK: INCHIKEY OHHAWMYRUPJTKQ-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 101-1012
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.194 min
+MS$FOCUSED_ION: BASE_PEAK 971.5212
+MS$FOCUSED_ION: PRECURSOR_M/Z 971.5208
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-014i-0920000000-5bb3d49ba7d65580a3bd
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  106.0423 C7H6O- 1 106.0424 -1.48
+  107.0503 C7H7O- 1 107.0502 0.64
+  108.0455 C6H6NO- 1 108.0455 -0.31
+  109.03 C6H5O2- 1 109.0295 4.21
+  109.0406 C5H5N2O- 1 109.0407 -1.55
+  110.0247 C5H4NO2- 1 110.0248 -0.47
+  111.0202 C4H3N2O2- 1 111.02 1.53
+  111.0564 C5H7N2O- 1 111.0564 0.56
+  112.0278 C4H4N2O2- 1 112.0278 0.01
+  112.0402 C5H6NO2- 1 112.0404 -1.72
+  113.0355 C4H5N2O2- 1 113.0357 -1.74
+  113.0721 C5H9N2O- 1 113.072 0.54
+  114.0923 C6H12NO- 1 114.0924 -1.03
+  116.0716 C5H10NO2- 1 116.0717 -0.68
+  119.0502 C8H7O- 1 119.0502 -0.64
+  122.0611 C7H8NO- 1 122.0611 -0.38
+  122.0718 C6H8N3- 1 122.0724 -4.71
+  123.045 C7H7O2- 1 123.0452 -1.36
+  123.0565 C6H7N2O- 1 123.0564 0.85
+  124.0402 C6H6NO2- 1 124.0404 -1.62
+  124.0516 C5H6N3O- 1 124.0516 -0.17
+  125.0352 C5H5N2O2- 1 125.0357 -3.84
+  126.0433 C5H6N2O2- 1 126.0435 -1.22
+  127.0512 C5H7N2O2- 1 127.0513 -1.03
+  127.0873 C6H11N2O- 1 127.0877 -2.96
+  129.1031 C6H13N2O- 1 129.1033 -1.85
+  130.0867 C6H12NO2- 1 130.0874 -4.89
+  130.0982 C5H12N3O- 1 130.0986 -3.04
+  135.0561 C7H7N2O- 1 135.0564 -2.14
+  136.0398 C7H6NO2- 1 136.0404 -4.28
+  136.0514 C6H6N3O- 1 136.0516 -2.06
+  136.0764 C8H10NO- 1 136.0768 -2.55
+  137.0353 C6H5N2O2- 1 137.0357 -2.62
+  137.0718 C7H9N2O- 1 137.072 -1.91
+  138.0557 C7H8NO2- 1 138.0561 -2.57
+  138.0674 C6H8N3O- 1 138.0673 1.16
+  139.0511 C6H7N2O2- 1 139.0513 -1.16
+  139.0871 C7H11N2O- 1 139.0877 -3.97
+  140.035 C6H6NO3- 1 140.0353 -1.93
+  140.083 C6H10N3O- 1 140.0829 0.49
+  141.0666 C6H9N2O2- 1 141.067 -2.55
+  141.103 C7H13N2O- 1 141.1033 -2.62
+  142.0507 C6H8NO3- 1 142.051 -1.7
+  143.1186 C7H15N2O- 1 143.119 -2.82
+  145.029 C9H5O2- 1 145.0295 -3.44
+  147.0445 C7H5N3O- 2 147.0438 4.65
+  148.0768 C9H10NO- 1 148.0768 0.07
+  149.0718 C8H9N2O- 1 149.072 -1.52
+  151.0506 C7H7N2O2- 2 151.0513 -4.79
+  153.0303 C6H5N2O3- 1 153.0306 -1.8
+  153.0665 C7H9N2O2- 1 153.067 -3.05
+  153.1026 C8H13N2O- 2 153.1033 -4.9
+  155.0938 C6H11N4O- 1 155.0938 0
+  156.0772 C6H10N3O2- 2 156.0779 -3.93
+  162.0552 C7H6N4O- 1 162.0547 3.14
+  165.1027 C9H13N2O- 2 165.1033 -3.82
+  166.0503 C6H6N4O2- 2 166.0496 3.97
+  166.0977 C6H10N6- 1 166.0972 2.89
+  167.0819 C6H9N5O- 2 167.0813 3.69
+  169.0974 C6H11N5O- 2 169.0969 3.13
+  170.0924 C5H10N6O- 1 170.0922 1.39
+  172.1197 C6H14N5O- 3 172.1204 -3.75
+  177.1028 C8H11N5- 2 177.102 4.45
+  179.0456 C8H7N2O3- 2 179.0462 -3.67
+  181.0968 C7H11N5O- 1 181.0969 -0.7
+  183.1132 C7H13N5O- 2 183.1126 3.34
+  187.1066 C6H13N5O2- 3 187.1075 -4.7
+  194.0815 C8H10N4O2- 2 194.0809 3.07
+  195.089 C8H11N4O2- 1 195.0887 1.28
+  198.1244 C7H14N6O- 2 198.1235 4.64
+  200.1396 C7H16N6O- 2 200.1391 2.21
+  206.1294 C9H14N6- 2 206.1285 4.4
+  212.1144 C7H18NO6- 3 212.114 1.99
+  212.14 C10H18N3O2- 2 212.1405 -1.89
+  218.1176 C11H14N4O- 2 218.1173 1.55
+  221.1039 C9H17O6- 3 221.1031 3.9
+  226.1188 C8H14N6O2- 2 226.1184 1.9
+  232.1083 C10H12N6O- 2 232.1078 2.24
+  238.126 C5H16N7O4- 4 238.1269 -3.92
+  238.1558 C12H20N3O2- 2 238.1561 -1.42
+  249.1614 CH29O13- 3 249.1614 0.07
+  251.1141 C10H19O7- 3 251.1136 1.84
+  254.1506 C10H18N6O2- 2 254.1497 3.84
+  289.1552 C16H21N2O3- 5 289.1558 -2.01
+  293.1504 C15H21N2O4- 3 293.1507 -0.82
+  295.1783 H25N9O9- 4 295.1781 0.92
+  314.2195 C14H28N5O3- 4 314.2198 -0.8
+  339.2139 C12H29N5O6- 5 339.2123 4.5
+PK$NUM_PEAK: 88
+PK$PEAK: m/z int. rel.int.
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+  107.0503 156086.2 151
+  108.0455 23513.4 22
+  109.03 21129.3 20
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+  110.0247 154998.1 150
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+  112.0278 119922.3 116
+  112.0402 44233.9 42
+  113.0355 64272.6 62
+  113.0721 42859.3 41
+  114.0923 133914.4 129
+  116.0716 1029091.2 999
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+  122.0718 11741.4 11
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+  137.0718 34370 33
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+  138.0674 13115.6 12
+  139.0511 52771.1 51
+  139.0871 24423.3 23
+  140.035 64675.8 62
+  140.083 23069.2 22
+  141.0666 38236.2 37
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+  145.029 31345.4 30
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+  148.0768 43445.2 42
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+  156.0772 145563.9 141
+  162.0552 25221.8 24
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+  166.0503 30665.8 29
+  166.0977 34307.3 33
+  167.0819 40356.2 39
+  169.0974 721119.8 700
+  170.0924 160884.6 156
+  172.1197 108500 105
+  177.1028 41872.9 40
+  179.0456 117357.7 113
+  181.0968 81436.6 79
+  183.1132 362163.4 351
+  187.1066 130355.9 126
+  194.0815 46602.8 45
+  195.089 153081.2 148
+  198.1244 93595.8 90
+  200.1396 403492.8 391
+  206.1294 25732.1 24
+  212.1144 85654.1 83
+  212.14 123283.3 119
+  218.1176 375686.6 364
+  221.1039 28561.4 27
+  226.1188 209286.7 203
+  232.1083 40710.6 39
+  238.126 56231.1 54
+  238.1558 158399.1 153
+  249.1614 46368.5 45
+  251.1141 76550 74
+  254.1506 27774.6 26
+  289.1552 308528.2 299
+  293.1504 529939.9 514
+  295.1783 29804.1 28
+  314.2195 183566 178
+  339.2139 67653.6 65
+//
diff --git a/Eawag/MSBNK-EAWAG-ED063957.txt b/Eawag/MSBNK-EAWAG-ED063957.txt
new file mode 100644
index 0000000000..67976bd892
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED063957.txt
@@ -0,0 +1,176 @@
+ACCESSION: MSBNK-EAWAG-ED063957
+RECORD_TITLE: Cyanopeptolin 972; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.aquatox.2023.106689
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 638
+CH$NAME: Cyanopeptolin 972
+CH$NAME: 5-[[15-[3-(diaminomethylideneamino)propyl]-21-hydroxy-5-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-2-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-5-oxo-4-(pentanoylamino)pentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C46H72N10O13
+CH$EXACT_MASS: 972.5280324
+CH$SMILES: O=C(NC(CCCNC(N)=N)C(NC1C(N(C(C(N(C(C(NC2C(C)C)=O)CC3=CC=C(O)C=C3)C)=O)CC(C)C)C(O)CC1)=O)=O)C(C(OC2=O)C)NC(C(CCC(O)=O)NC(CCCC)=O)=O
+CH$IUPAC: InChI=1S/C46H72N10O13/c1-8-9-12-34(58)50-30(18-20-36(60)61)40(63)54-38-26(6)69-45(68)37(25(4)5)53-41(64)32(23-27-13-15-28(57)16-14-27)55(7)44(67)33(22-24(2)3)56-35(59)19-17-31(43(56)66)52-39(62)29(51-42(38)65)11-10-21-49-46(47)48/h13-16,24-26,29-33,35,37-38,57,59H,8-12,17-23H2,1-7H3,(H,50,58)(H,51,65)(H,52,62)(H,53,64)(H,54,63)(H,60,61)(H4,47,48,49)
+CH$LINK: PUBCHEM CID:155802244
+CH$LINK: INCHIKEY OHHAWMYRUPJTKQ-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 101-1012
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.194 min
+MS$FOCUSED_ION: BASE_PEAK 971.5212
+MS$FOCUSED_ION: PRECURSOR_M/Z 971.5208
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-014i-0900000000-28a1919b579d75574a1c
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  106.0426 C7H6O- 1 106.0424 1.62
+  107.0501 C7H7O- 1 107.0502 -1.22
+  108.0453 C6H6NO- 1 108.0455 -1.3
+  109.0408 C5H5N2O- 1 109.0407 0.48
+  110.0248 C5H4NO2- 1 110.0248 0.57
+  110.0611 C6H8NO- 1 110.0611 -0.27
+  110.0724 C5H8N3- 1 110.0724 0.12
+  111.0197 C4H3N2O2- 1 111.02 -3.07
+  111.0566 C5H7N2O- 1 111.0564 2.07
+  112.0278 C4H4N2O2- 1 112.0278 -0.06
+  113.0356 C4H5N2O2- 1 113.0357 -0.12
+  113.0721 C5H9N2O- 1 113.072 0.34
+  114.0924 C6H12NO- 1 114.0924 -0.5
+  116.0717 C5H10NO2- 1 116.0717 -0.22
+  119.0502 C8H7O- 1 119.0502 -0.32
+  123.045 C7H7O2- 1 123.0452 -0.92
+  123.0566 C6H7N2O- 1 123.0564 1.53
+  124.0404 C6H6NO2- 1 124.0404 -0.39
+  124.0517 C5H6N3O- 1 124.0516 0.39
+  125.0351 C5H5N2O2- 1 125.0357 -4.21
+  125.0719 C6H9N2O- 1 125.072 -1.17
+  126.0434 C5H6N2O2- 1 126.0435 -0.25
+  127.0512 C5H7N2O2- 1 127.0513 -0.97
+  127.0875 C6H11N2O- 1 127.0877 -1.46
+  129.1031 C6H13N2O- 1 129.1033 -1.62
+  130.087 C6H12NO2- 1 130.0874 -2.43
+  130.0982 C5H12N3O- 1 130.0986 -2.69
+  135.0562 C7H7N2O- 1 135.0564 -1.46
+  136.0402 C7H6NO2- 1 136.0404 -1.36
+  136.0763 C8H10NO- 1 136.0768 -3.9
+  137.0352 C6H5N2O2- 1 137.0357 -3.51
+  137.0718 C7H9N2O- 1 137.072 -1.57
+  138.0432 C6H6N2O2- 1 138.0435 -1.89
+  138.0558 C7H8NO2- 1 138.0561 -2.02
+  138.0676 C6H8N3O- 1 138.0673 1.94
+  139.0511 C6H7N2O2- 1 139.0513 -1.16
+  139.0876 C7H11N2O- 1 139.0877 -0.57
+  140.0712 C7H10NO2- 1 140.0717 -3.62
+  140.0829 C6H10N3O- 1 140.0829 -0.38
+  141.1031 C7H13N2O- 1 141.1033 -1.64
+  143.1186 C7H15N2O- 1 143.119 -2.39
+  147.0444 C7H5N3O- 1 147.0438 3.92
+  148.0762 C9H10NO- 1 148.0768 -3.74
+  151.0507 C7H7N2O2- 2 151.0513 -4.29
+  152.0833 C7H10N3O- 1 152.0829 2.17
+  153.0305 C6H5N2O3- 1 153.0306 -0.2
+  153.0667 C7H9N2O2- 1 153.067 -1.85
+  153.103 C8H13N2O- 1 153.1033 -2.51
+  154.0983 C7H12N3O- 1 154.0986 -2.14
+  155.0937 C6H11N4O- 1 155.0938 -0.98
+  155.1184 C8H15N2O- 2 155.119 -4.07
+  156.0776 C6H10N3O2- 1 156.0779 -1.87
+  165.1031 C9H13N2O- 1 165.1033 -1.24
+  166.098 C8H12N3O- 2 166.0986 -3.36
+  167.0819 C6H9N5O- 2 167.0813 3.69
+  169.0974 C6H11N5O- 1 169.0969 2.86
+  170.0928 C5H10N6O- 2 170.0922 3.73
+  177.1024 C8H11N5- 1 177.102 2.55
+  179.0454 C8H7N2O3- 2 179.0462 -4.52
+  181.0973 C7H11N5O- 1 181.0969 1.91
+  183.1132 C7H13N5O- 2 183.1126 3.43
+  198.1234 C7H14N6O- 1 198.1235 -0.21
+  200.1397 C7H16N6O- 2 200.1391 3.21
+  212.1401 C10H18N3O2- 2 212.1405 -1.82
+  218.1179 C11H14N4O- 2 218.1173 2.74
+  234.1248 C12H16N3O2- 1 234.1248 0.06
+  314.2194 C14H28N5O3- 4 314.2198 -1.19
+PK$NUM_PEAK: 67
+PK$PEAK: m/z int. rel.int.
+  106.0426 27027.3 26
+  107.0501 143262.7 139
+  108.0453 41418.7 40
+  109.0408 35450.9 34
+  110.0248 156628.5 152
+  110.0611 31432.4 30
+  110.0724 37708.3 36
+  111.0197 48699.2 47
+  111.0566 46462.9 45
+  112.0278 309964.9 301
+  113.0356 81345.7 79
+  113.0721 62483.3 60
+  114.0924 162147.3 157
+  116.0717 933965.9 908
+  119.0502 1026958.8 999
+  123.045 48702.1 47
+  123.0566 56133.3 54
+  124.0404 110710.9 107
+  124.0517 51465.5 50
+  125.0351 80464.6 78
+  125.0719 25051.3 24
+  126.0434 85666.6 83
+  127.0512 36897.1 35
+  127.0875 32450.1 31
+  129.1031 31968.1 31
+  130.087 31811.6 30
+  130.0982 276884 269
+  135.0562 348199.8 338
+  136.0402 120069.5 116
+  136.0763 25284.5 24
+  137.0352 58421.4 56
+  137.0718 38425.7 37
+  138.0432 22022.2 21
+  138.0558 26964.8 26
+  138.0676 18916.5 18
+  139.0511 51766.3 50
+  139.0876 37549 36
+  140.0712 25668.3 24
+  140.0829 32163.6 31
+  141.1031 214496 208
+  143.1186 594251.2 578
+  147.0444 54658.2 53
+  148.0762 42249.6 41
+  151.0507 23751.9 23
+  152.0833 57015.6 55
+  153.0305 34855.9 33
+  153.0667 76545.5 74
+  153.103 73530.7 71
+  154.0983 33209.9 32
+  155.0937 40502.7 39
+  155.1184 20448.4 19
+  156.0776 140004.5 136
+  165.1031 76137.9 74
+  166.098 33850.5 32
+  167.0819 39301.5 38
+  169.0974 671459.1 653
+  170.0928 201141.8 195
+  177.1024 25423.6 24
+  179.0454 26050.8 25
+  181.0973 73305.8 71
+  183.1132 205811.1 200
+  198.1234 66429.6 64
+  200.1397 430793.2 419
+  212.1401 81936.3 79
+  218.1179 205729.8 200
+  234.1248 16049.4 15
+  314.2194 117225.9 114
+//
diff --git a/Eawag/MSBNK-EAWAG-ED063958.txt b/Eawag/MSBNK-EAWAG-ED063958.txt
new file mode 100644
index 0000000000..dc9ca6f3b5
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED063958.txt
@@ -0,0 +1,156 @@
+ACCESSION: MSBNK-EAWAG-ED063958
+RECORD_TITLE: Cyanopeptolin 972; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.aquatox.2023.106689
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 638
+CH$NAME: Cyanopeptolin 972
+CH$NAME: 5-[[15-[3-(diaminomethylideneamino)propyl]-21-hydroxy-5-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-2-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-5-oxo-4-(pentanoylamino)pentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C46H72N10O13
+CH$EXACT_MASS: 972.5280324
+CH$SMILES: O=C(NC(CCCNC(N)=N)C(NC1C(N(C(C(N(C(C(NC2C(C)C)=O)CC3=CC=C(O)C=C3)C)=O)CC(C)C)C(O)CC1)=O)=O)C(C(OC2=O)C)NC(C(CCC(O)=O)NC(CCCC)=O)=O
+CH$IUPAC: InChI=1S/C46H72N10O13/c1-8-9-12-34(58)50-30(18-20-36(60)61)40(63)54-38-26(6)69-45(68)37(25(4)5)53-41(64)32(23-27-13-15-28(57)16-14-27)55(7)44(67)33(22-24(2)3)56-35(59)19-17-31(43(56)66)52-39(62)29(51-42(38)65)11-10-21-49-46(47)48/h13-16,24-26,29-33,35,37-38,57,59H,8-12,17-23H2,1-7H3,(H,50,58)(H,51,65)(H,52,62)(H,53,64)(H,54,63)(H,60,61)(H4,47,48,49)
+CH$LINK: PUBCHEM CID:155802244
+CH$LINK: INCHIKEY OHHAWMYRUPJTKQ-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 101-1012
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.194 min
+MS$FOCUSED_ION: BASE_PEAK 971.5212
+MS$FOCUSED_ION: PRECURSOR_M/Z 971.5208
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-014i-0900000000-2249165fe629b400d3a8
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  107.0502 C7H7O- 1 107.0502 -0.43
+  108.0454 C6H6NO- 1 108.0455 -0.38
+  109.0407 C5H5N2O- 1 109.0407 -0.5
+  110.0249 C5H4NO2- 1 110.0248 1.26
+  110.061 C6H8NO- 1 110.0611 -1.24
+  110.0721 C5H8N3- 1 110.0724 -2.17
+  111.0198 C4H3N2O2- 1 111.02 -1.77
+  111.0565 C5H7N2O- 1 111.0564 0.83
+  112.0278 C4H4N2O2- 1 112.0278 -0.2
+  113.0354 C4H5N2O2- 1 113.0357 -2.01
+  113.072 C5H9N2O- 1 113.072 0.07
+  114.0925 C6H12NO- 1 114.0924 0.84
+  116.0716 C5H10NO2- 1 116.0717 -0.68
+  119.0502 C8H7O- 1 119.0502 -0.64
+  123.0325 C6H5NO2- 1 123.0326 -0.28
+  124.0403 C6H6NO2- 1 124.0404 -1.19
+  125.0355 C5H5N2O2- 1 125.0357 -1.59
+  125.0717 C6H9N2O- 1 125.072 -2.45
+  126.0435 C5H6N2O2- 1 126.0435 0.24
+  126.0926 C7H12NO- 1 126.0924 1.53
+  127.0875 C6H11N2O- 1 127.0877 -1.1
+  129.1033 C6H13N2O- 1 129.1033 -0.32
+  130.0873 C6H12NO2- 1 130.0874 -0.44
+  130.0983 C5H12N3O- 1 130.0986 -2.1
+  131.0827 C5H11N2O2- 1 131.0826 0.59
+  135.056 C7H7N2O- 1 135.0564 -2.7
+  136.04 C7H6NO2- 1 136.0404 -3.05
+  137.0352 C6H5N2O2- 1 137.0357 -3.07
+  137.0718 C7H9N2O- 1 137.072 -1.91
+  138.0433 C6H6N2O2- 1 138.0435 -1.45
+  138.056 C7H8NO2- 1 138.0561 -0.69
+  139.0508 C6H7N2O2- 1 139.0513 -3.9
+  139.0871 C7H11N2O- 1 139.0877 -4.51
+  140.0827 C6H10N3O- 1 140.0829 -1.36
+  140.1077 C8H14NO- 1 140.1081 -2.49
+  141.103 C7H13N2O- 1 141.1033 -2.4
+  143.1186 C7H15N2O- 1 143.119 -2.5
+  144.1138 C6H14N3O- 1 144.1142 -3.27
+  148.0767 C9H10NO- 1 148.0768 -0.86
+  149.0715 C8H9N2O- 1 149.072 -3.77
+  151.0874 C8H11N2O- 1 151.0877 -1.62
+  153.0664 C7H9N2O2- 1 153.067 -3.75
+  153.1028 C8H13N2O- 1 153.1033 -3.41
+  154.0981 C7H12N3O- 1 154.0986 -2.93
+  155.0942 C6H11N4O- 1 155.0938 2.17
+  156.0775 C6H10N3O2- 1 156.0779 -2.46
+  157.0531 C10H7NO- 1 157.0533 -1.53
+  165.1027 C9H13N2O- 2 165.1033 -3.82
+  167.0819 C6H9N5O- 2 167.0813 3.6
+  168.1151 C10H16O2- 1 168.1156 -2.66
+  169.0972 C6H11N5O- 1 169.0969 1.96
+  170.0924 C5H10N6O- 1 170.0922 1.57
+  181.0978 C7H11N5O- 2 181.0969 4.95
+  183.1128 C7H13N5O- 1 183.1126 1.43
+  185.1656 C10H21N2O- 1 185.1659 -1.74
+  196.1083 C7H12N6O- 2 196.1078 2.76
+  212.14 C10H18N3O2- 2 212.1405 -2.32
+PK$NUM_PEAK: 57
+PK$PEAK: m/z int. rel.int.
+  107.0502 103987.2 100
+  108.0454 38817.4 37
+  109.0407 39095.5 37
+  110.0249 127015.8 122
+  110.061 35282.6 33
+  110.0721 26739.4 25
+  111.0198 63649.6 61
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+  112.0278 477483.2 459
+  113.0354 58597.7 56
+  113.072 78396.6 75
+  114.0925 117747.7 113
+  116.0716 744339.4 716
+  119.0502 1037678 999
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+  126.0435 112382.9 108
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+  129.1033 36490.7 35
+  130.0873 22752.5 21
+  130.0983 315473.4 303
+  131.0827 17126.1 16
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+  139.0508 45507.4 43
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+  140.1077 18203.2 17
+  141.103 154828.4 149
+  143.1186 696002.6 670
+  144.1138 33006 31
+  148.0767 34260 32
+  149.0715 23884.7 22
+  151.0874 20862.7 20
+  153.0664 52033.8 50
+  153.1028 95930.1 92
+  154.0981 33246.2 32
+  155.0942 12966.8 12
+  156.0775 103335.6 99
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+  167.0819 29947.4 28
+  168.1151 13754.8 13
+  169.0972 431093.5 415
+  170.0924 143632.1 138
+  181.0978 44551 42
+  183.1128 87341.3 84
+  185.1656 30510.3 29
+  196.1083 41834.1 40
+  212.14 20118.3 19
+//
diff --git a/Eawag/MSBNK-EAWAG-ED063959.txt b/Eawag/MSBNK-EAWAG-ED063959.txt
new file mode 100644
index 0000000000..8718f74877
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED063959.txt
@@ -0,0 +1,126 @@
+ACCESSION: MSBNK-EAWAG-ED063959
+RECORD_TITLE: Cyanopeptolin 972; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.aquatox.2023.106689
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 638
+CH$NAME: Cyanopeptolin 972
+CH$NAME: 5-[[15-[3-(diaminomethylideneamino)propyl]-21-hydroxy-5-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-2-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-5-oxo-4-(pentanoylamino)pentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C46H72N10O13
+CH$EXACT_MASS: 972.5280324
+CH$SMILES: O=C(NC(CCCNC(N)=N)C(NC1C(N(C(C(N(C(C(NC2C(C)C)=O)CC3=CC=C(O)C=C3)C)=O)CC(C)C)C(O)CC1)=O)=O)C(C(OC2=O)C)NC(C(CCC(O)=O)NC(CCCC)=O)=O
+CH$IUPAC: InChI=1S/C46H72N10O13/c1-8-9-12-34(58)50-30(18-20-36(60)61)40(63)54-38-26(6)69-45(68)37(25(4)5)53-41(64)32(23-27-13-15-28(57)16-14-27)55(7)44(67)33(22-24(2)3)56-35(59)19-17-31(43(56)66)52-39(62)29(51-42(38)65)11-10-21-49-46(47)48/h13-16,24-26,29-33,35,37-38,57,59H,8-12,17-23H2,1-7H3,(H,50,58)(H,51,65)(H,52,62)(H,53,64)(H,54,63)(H,60,61)(H4,47,48,49)
+CH$LINK: PUBCHEM CID:155802244
+CH$LINK: INCHIKEY OHHAWMYRUPJTKQ-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 101-1012
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.194 min
+MS$FOCUSED_ION: BASE_PEAK 971.5212
+MS$FOCUSED_ION: PRECURSOR_M/Z 971.5208
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-014i-0900000000-0d1d5f84e1e75865dbdf
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  107.0503 C7H7O- 1 107.0502 0.35
+  108.0454 C6H6NO- 1 108.0455 -0.73
+  110.0248 C5H4NO2- 1 110.0248 0.15
+  110.061 C6H8NO- 1 110.0611 -0.97
+  111.0201 C4H3N2O2- 1 111.02 0.64
+  112.0277 C4H4N2O2- 1 112.0278 -1.02
+  113.0358 C4H5N2O2- 1 113.0357 1.56
+  113.0719 C5H9N2O- 1 113.072 -1.41
+  114.0923 C6H12NO- 1 114.0924 -1.3
+  116.0716 C5H10NO2- 1 116.0717 -0.81
+  117.0347 C8H5O- 1 117.0346 1.38
+  119.0501 C8H7O- 1 119.0502 -0.96
+  123.0452 C7H7O2- 1 123.0452 0.44
+  123.0564 C6H7N2O- 1 123.0564 0.05
+  124.0403 C6H6NO2- 1 124.0404 -0.82
+  125.0355 C5H5N2O2- 1 125.0357 -1.16
+  126.0437 C5H6N2O2- 1 126.0435 1.39
+  126.0925 C7H12NO- 1 126.0924 0.63
+  127.0513 C5H7N2O2- 1 127.0513 0.11
+  127.0876 C6H11N2O- 1 127.0877 -0.92
+  130.0983 C5H12N3O- 1 130.0986 -2.57
+  133.0408 C7H5N2O- 1 133.0407 0.5
+  135.0562 C7H7N2O- 1 135.0564 -1.35
+  137.0355 C6H5N2O2- 1 137.0357 -1.06
+  137.0717 C7H9N2O- 1 137.072 -2.35
+  138.0433 C6H6N2O2- 1 138.0435 -1.12
+  139.0507 C6H7N2O2- 1 139.0513 -4.56
+  139.0871 C7H11N2O- 1 139.0877 -4.51
+  140.0826 C6H10N3O- 1 140.0829 -2.23
+  141.1027 C7H13N2O- 2 141.1033 -4.67
+  143.1186 C7H15N2O- 1 143.119 -2.82
+  144.1141 C6H14N3O- 1 144.1142 -0.94
+  145.0292 C9H5O2- 1 145.0295 -1.96
+  148.0763 C9H10NO- 1 148.0768 -3.13
+  153.103 C8H13N2O- 1 153.1033 -2.11
+  154.0983 C7H12N3O- 1 154.0986 -1.84
+  156.0773 C6H10N3O2- 2 156.0779 -3.73
+  169.0971 C6H11N5O- 1 169.0969 1.33
+  170.0926 C5H10N6O- 1 170.0922 2.56
+  181.0977 C7H11N5O- 2 181.0969 4.19
+  200.1395 C7H16N6O- 2 200.1391 2.14
+  201.1354 C8H17N4O2- 1 201.1357 -1.47
+PK$NUM_PEAK: 42
+PK$PEAK: m/z int. rel.int.
+  107.0503 64054.7 75
+  108.0454 33390.5 39
+  110.0248 85481.2 100
+  110.061 20459.8 24
+  111.0201 64090.6 75
+  112.0277 542790 637
+  113.0358 60312.7 70
+  113.0719 56954 66
+  114.0923 80331.8 94
+  116.0716 438207.6 514
+  117.0347 33228 38
+  119.0501 851211.9 999
+  123.0452 12917.3 15
+  123.0564 33757.9 39
+  124.0403 29560.4 34
+  125.0355 71152.7 83
+  126.0437 68690.3 80
+  126.0925 14162.1 16
+  127.0513 23034.9 27
+  127.0876 24271.5 28
+  130.0983 174536.5 204
+  133.0408 21052.1 24
+  135.0562 131998.6 154
+  137.0355 42487.7 49
+  137.0717 19643.7 23
+  138.0433 31874 37
+  139.0507 47539.7 55
+  139.0871 46688.1 54
+  140.0826 38212.9 44
+  141.1027 91791.8 107
+  143.1186 544398.4 638
+  144.1141 16094 18
+  145.0292 24113.2 28
+  148.0763 24537.9 28
+  153.103 64638.1 75
+  154.0983 31353.3 36
+  156.0773 71613.4 84
+  169.0971 172006.3 201
+  170.0926 63491.2 74
+  181.0977 25279.8 29
+  200.1395 115843.4 135
+  201.1354 31769.8 37
+//
diff --git a/Eawag/MSBNK-EAWAG-ED064201.txt b/Eawag/MSBNK-EAWAG-ED064201.txt
new file mode 100644
index 0000000000..435524ddfc
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED064201.txt
@@ -0,0 +1,48 @@
+ACCESSION: MSBNK-EAWAG-ED064201
+RECORD_TITLE: Cyanopeptolin B; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 1
+COMMENT: CyanoMetDB_ID 642
+CH$NAME: Cyanopeptolin B
+CH$NAME: 4-[[(2S,5S,8S,11R,12S,15S)-15-(4-aminobutyl)-5-benzyl-21-hydroxy-4,11-dimethyl-2-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-3-(hexanoylamino)-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C46H72N8O12
+CH$EXACT_MASS: 928.5269697
+CH$SMILES: CCCCCC(=O)NC(CC(=O)O)C(=O)N[C@H]1[C@H](OC(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](N2C(CCC(C2=O)NC(=O)[C@@H](NC1=O)CCCCN)O)CC(C)C)C)CC3=CC=CC=C3)C(C)C)C
+CH$IUPAC: InChI=1S/C46H72N8O12/c1-8-9-11-19-35(55)48-32(25-37(57)58)41(60)52-39-28(6)66-46(65)38(27(4)5)51-42(61)33(24-29-16-12-10-13-17-29)53(7)45(64)34(23-26(2)3)54-36(56)21-20-31(44(54)63)50-40(59)30(49-43(39)62)18-14-15-22-47/h10,12-13,16-17,26-28,30-34,36,38-39,56H,8-9,11,14-15,18-25,47H2,1-7H3,(H,48,55)(H,49,62)(H,50,59)(H,51,61)(H,52,60)(H,57,58)/t28-,30+,31?,32?,33+,34+,36?,38+,39+/m1/s1
+CH$LINK: PUBCHEM CID:139291933
+CH$LINK: INCHIKEY KSVGOBQTQGOLQM-PLGRJYAQSA-N
+CH$LINK: CHEMSPIDER 78437037
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 96-969
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.795 min
+MS$FOCUSED_ION: BASE_PEAK 957.5401
+MS$FOCUSED_ION: PRECURSOR_M/Z 929.5342
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03di-0000000009-c16e87aefac77126c059
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  370.2122 C21H28N3O3+ 4 370.2125 -0.83
+  911.5223 C46H71N8O11+ 1 911.5237 -1.51
+  929.534 C46H73N8O12+ 1 929.5342 -0.29
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  370.2122 77134.4 14
+  911.5223 5355099.5 999
+  929.534 1049619.9 195
+//
diff --git a/Eawag/MSBNK-EAWAG-ED064202.txt b/Eawag/MSBNK-EAWAG-ED064202.txt
new file mode 100644
index 0000000000..8a9925e704
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED064202.txt
@@ -0,0 +1,54 @@
+ACCESSION: MSBNK-EAWAG-ED064202
+RECORD_TITLE: Cyanopeptolin B; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 1
+COMMENT: CyanoMetDB_ID 642
+CH$NAME: Cyanopeptolin B
+CH$NAME: 4-[[(2S,5S,8S,11R,12S,15S)-15-(4-aminobutyl)-5-benzyl-21-hydroxy-4,11-dimethyl-2-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-3-(hexanoylamino)-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C46H72N8O12
+CH$EXACT_MASS: 928.5269697
+CH$SMILES: CCCCCC(=O)NC(CC(=O)O)C(=O)N[C@H]1[C@H](OC(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](N2C(CCC(C2=O)NC(=O)[C@@H](NC1=O)CCCCN)O)CC(C)C)C)CC3=CC=CC=C3)C(C)C)C
+CH$IUPAC: InChI=1S/C46H72N8O12/c1-8-9-11-19-35(55)48-32(25-37(57)58)41(60)52-39-28(6)66-46(65)38(27(4)5)51-42(61)33(24-29-16-12-10-13-17-29)53(7)45(64)34(23-26(2)3)54-36(56)21-20-31(44(54)63)50-40(59)30(49-43(39)62)18-14-15-22-47/h10,12-13,16-17,26-28,30-34,36,38-39,56H,8-9,11,14-15,18-25,47H2,1-7H3,(H,48,55)(H,49,62)(H,50,59)(H,51,61)(H,52,60)(H,57,58)/t28-,30+,31?,32?,33+,34+,36?,38+,39+/m1/s1
+CH$LINK: PUBCHEM CID:139291933
+CH$LINK: INCHIKEY KSVGOBQTQGOLQM-PLGRJYAQSA-N
+CH$LINK: CHEMSPIDER 78437037
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 96-969
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.795 min
+MS$FOCUSED_ION: BASE_PEAK 957.5401
+MS$FOCUSED_ION: PRECURSOR_M/Z 929.5342
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03di-0001000009-a0d948337a0969f876ad
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  209.1272 C9H15N5O+ 1 209.1271 0.48
+  370.2119 C21H28N3O3+ 4 370.2125 -1.66
+  698.4224 C38H58N4O8+ 6 698.4249 -3.66
+  794.4446 C41H60N7O9+ 5 794.4447 -0.07
+  911.5227 C46H71N8O11+ 1 911.5237 -1.11
+  929.5372 C46H73N8O12+ 1 929.5342 3.19
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  209.1272 57845 12
+  370.2119 882526.6 197
+  698.4224 174547.2 39
+  794.4446 124416.5 27
+  911.5227 4462699 999
+  929.5372 165175.5 36
+//
diff --git a/Eawag/MSBNK-EAWAG-ED064203.txt b/Eawag/MSBNK-EAWAG-ED064203.txt
new file mode 100644
index 0000000000..b2d8eed09b
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED064203.txt
@@ -0,0 +1,70 @@
+ACCESSION: MSBNK-EAWAG-ED064203
+RECORD_TITLE: Cyanopeptolin B; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 1
+COMMENT: CyanoMetDB_ID 642
+CH$NAME: Cyanopeptolin B
+CH$NAME: 4-[[(2S,5S,8S,11R,12S,15S)-15-(4-aminobutyl)-5-benzyl-21-hydroxy-4,11-dimethyl-2-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-3-(hexanoylamino)-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C46H72N8O12
+CH$EXACT_MASS: 928.5269697
+CH$SMILES: CCCCCC(=O)NC(CC(=O)O)C(=O)N[C@H]1[C@H](OC(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](N2C(CCC(C2=O)NC(=O)[C@@H](NC1=O)CCCCN)O)CC(C)C)C)CC3=CC=CC=C3)C(C)C)C
+CH$IUPAC: InChI=1S/C46H72N8O12/c1-8-9-11-19-35(55)48-32(25-37(57)58)41(60)52-39-28(6)66-46(65)38(27(4)5)51-42(61)33(24-29-16-12-10-13-17-29)53(7)45(64)34(23-26(2)3)54-36(56)21-20-31(44(54)63)50-40(59)30(49-43(39)62)18-14-15-22-47/h10,12-13,16-17,26-28,30-34,36,38-39,56H,8-9,11,14-15,18-25,47H2,1-7H3,(H,48,55)(H,49,62)(H,50,59)(H,51,61)(H,52,60)(H,57,58)/t28-,30+,31?,32?,33+,34+,36?,38+,39+/m1/s1
+CH$LINK: PUBCHEM CID:139291933
+CH$LINK: INCHIKEY KSVGOBQTQGOLQM-PLGRJYAQSA-N
+CH$LINK: CHEMSPIDER 78437037
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 96-969
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.795 min
+MS$FOCUSED_ION: BASE_PEAK 957.5401
+MS$FOCUSED_ION: PRECURSOR_M/Z 929.5342
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0229-0229000208-c9d147b029a8e1b06440
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  129.1021 C6H13N2O+ 1 129.1022 -0.78
+  134.0963 C9H12N+ 1 134.0964 -1.04
+  153.1385 C9H17N2+ 1 153.1386 -1.02
+  181.1333 C10H17N2O+ 1 181.1335 -1.41
+  209.1277 C9H15N5O+ 2 209.1271 2.74
+  212.139 C10H18N3O2+ 2 212.1394 -1.68
+  245.1634 C13H19N5+ 2 245.1635 -0.42
+  258.147 C14H18N4O+ 4 258.1475 -2.02
+  370.2119 C21H28N3O3+ 4 370.2125 -1.74
+  581.3448 C31H45N6O5+ 7 581.3446 0.29
+  698.4241 C38H58N4O8+ 8 698.4249 -1.13
+  703.4027 C35H55N6O9+ 7 703.4025 0.29
+  794.4439 C41H60N7O9+ 5 794.4447 -0.99
+  911.5231 C46H71N8O11+ 1 911.5237 -0.64
+PK$NUM_PEAK: 14
+PK$PEAK: m/z int. rel.int.
+  129.1021 33954.4 20
+  134.0963 326217.9 195
+  153.1385 21447 12
+  181.1333 98321.3 58
+  209.1277 390191.8 233
+  212.139 26646.7 15
+  245.1634 18986.4 11
+  258.147 16890.2 10
+  370.2119 1667920.9 999
+  581.3448 57671.1 34
+  698.4241 143383 85
+  703.4027 203205.8 121
+  794.4439 299647.6 179
+  911.5231 1530645.4 916
+//
diff --git a/Eawag/MSBNK-EAWAG-ED064204.txt b/Eawag/MSBNK-EAWAG-ED064204.txt
new file mode 100644
index 0000000000..2bfa8df8b9
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED064204.txt
@@ -0,0 +1,66 @@
+ACCESSION: MSBNK-EAWAG-ED064204
+RECORD_TITLE: Cyanopeptolin B; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 1
+COMMENT: CyanoMetDB_ID 642
+CH$NAME: Cyanopeptolin B
+CH$NAME: 4-[[(2S,5S,8S,11R,12S,15S)-15-(4-aminobutyl)-5-benzyl-21-hydroxy-4,11-dimethyl-2-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-3-(hexanoylamino)-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C46H72N8O12
+CH$EXACT_MASS: 928.5269697
+CH$SMILES: CCCCCC(=O)NC(CC(=O)O)C(=O)N[C@H]1[C@H](OC(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](N2C(CCC(C2=O)NC(=O)[C@@H](NC1=O)CCCCN)O)CC(C)C)C)CC3=CC=CC=C3)C(C)C)C
+CH$IUPAC: InChI=1S/C46H72N8O12/c1-8-9-11-19-35(55)48-32(25-37(57)58)41(60)52-39-28(6)66-46(65)38(27(4)5)51-42(61)33(24-29-16-12-10-13-17-29)53(7)45(64)34(23-26(2)3)54-36(56)21-20-31(44(54)63)50-40(59)30(49-43(39)62)18-14-15-22-47/h10,12-13,16-17,26-28,30-34,36,38-39,56H,8-9,11,14-15,18-25,47H2,1-7H3,(H,48,55)(H,49,62)(H,50,59)(H,51,61)(H,52,60)(H,57,58)/t28-,30+,31?,32?,33+,34+,36?,38+,39+/m1/s1
+CH$LINK: PUBCHEM CID:139291933
+CH$LINK: INCHIKEY KSVGOBQTQGOLQM-PLGRJYAQSA-N
+CH$LINK: CHEMSPIDER 78437037
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 96-969
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.795 min
+MS$FOCUSED_ION: BASE_PEAK 957.5401
+MS$FOCUSED_ION: PRECURSOR_M/Z 929.5342
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-05gi-0988000001-056f28a6c458e8359d8b
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  129.102 C6H13N2O+ 1 129.1022 -1.49
+  134.0963 C9H12N+ 1 134.0964 -1.27
+  153.1387 C9H17N2+ 1 153.1386 0.17
+  181.1331 C10H17N2O+ 1 181.1335 -2.17
+  209.1279 C11H17N2O2+ 2 209.1285 -2.66
+  212.1396 C10H18N3O2+ 2 212.1394 1.34
+  245.1636 C13H19N5+ 2 245.1635 0.33
+  258.1476 C14H18N4O+ 3 258.1475 0.47
+  370.2119 C21H28N3O3+ 4 370.2125 -1.66
+  425.2385 C17H35N3O9+ 4 425.2368 4
+  581.3451 C31H45N6O5+ 6 581.3446 0.92
+  911.5229 C46H71N8O11+ 1 911.5237 -0.84
+PK$NUM_PEAK: 12
+PK$PEAK: m/z int. rel.int.
+  129.102 68271.9 63
+  134.0963 610550.1 563
+  153.1387 86007.9 79
+  181.1331 341003.6 314
+  209.1279 838036.2 773
+  212.1396 27733.7 25
+  245.1636 94739 87
+  258.1476 37161.7 34
+  370.2119 1081900.9 999
+  425.2385 47712.1 44
+  581.3451 56669.8 52
+  911.5229 204079.5 188
+//
diff --git a/Eawag/MSBNK-EAWAG-ED064205.txt b/Eawag/MSBNK-EAWAG-ED064205.txt
new file mode 100644
index 0000000000..94a29a6998
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED064205.txt
@@ -0,0 +1,60 @@
+ACCESSION: MSBNK-EAWAG-ED064205
+RECORD_TITLE: Cyanopeptolin B; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 1
+COMMENT: CyanoMetDB_ID 642
+CH$NAME: Cyanopeptolin B
+CH$NAME: 4-[[(2S,5S,8S,11R,12S,15S)-15-(4-aminobutyl)-5-benzyl-21-hydroxy-4,11-dimethyl-2-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-3-(hexanoylamino)-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C46H72N8O12
+CH$EXACT_MASS: 928.5269697
+CH$SMILES: CCCCCC(=O)NC(CC(=O)O)C(=O)N[C@H]1[C@H](OC(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](N2C(CCC(C2=O)NC(=O)[C@@H](NC1=O)CCCCN)O)CC(C)C)C)CC3=CC=CC=C3)C(C)C)C
+CH$IUPAC: InChI=1S/C46H72N8O12/c1-8-9-11-19-35(55)48-32(25-37(57)58)41(60)52-39-28(6)66-46(65)38(27(4)5)51-42(61)33(24-29-16-12-10-13-17-29)53(7)45(64)34(23-26(2)3)54-36(56)21-20-31(44(54)63)50-40(59)30(49-43(39)62)18-14-15-22-47/h10,12-13,16-17,26-28,30-34,36,38-39,56H,8-9,11,14-15,18-25,47H2,1-7H3,(H,48,55)(H,49,62)(H,50,59)(H,51,61)(H,52,60)(H,57,58)/t28-,30+,31?,32?,33+,34+,36?,38+,39+/m1/s1
+CH$LINK: PUBCHEM CID:139291933
+CH$LINK: INCHIKEY KSVGOBQTQGOLQM-PLGRJYAQSA-N
+CH$LINK: CHEMSPIDER 78437037
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 96-969
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.795 min
+MS$FOCUSED_ION: BASE_PEAK 957.5401
+MS$FOCUSED_ION: PRECURSOR_M/Z 929.5342
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-001i-0920000000-f4762cb0e8b258469001
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  124.1118 C8H14N+ 1 124.1121 -2.12
+  129.1021 C6H13N2O+ 1 129.1022 -1.37
+  134.0962 C9H12N+ 1 134.0964 -1.72
+  136.1118 C9H14N+ 1 136.1121 -1.8
+  153.1383 C9H17N2+ 1 153.1386 -2.02
+  162.0917 C10H12NO+ 1 162.0913 1.95
+  181.1331 C10H17N2O+ 2 181.1335 -2.43
+  209.1279 C11H17N2O2+ 2 209.1285 -2.73
+  212.1392 C10H18N3O2+ 1 212.1394 -0.74
+PK$NUM_PEAK: 9
+PK$PEAK: m/z int. rel.int.
+  124.1118 58510.2 62
+  129.1021 97751.2 104
+  134.0962 936141.5 999
+  136.1118 16385 17
+  153.1383 242012.8 258
+  162.0917 30753.8 32
+  181.1331 662405 706
+  209.1279 568544.2 606
+  212.1392 26136.8 27
+//
diff --git a/Eawag/MSBNK-EAWAG-ED064206.txt b/Eawag/MSBNK-EAWAG-ED064206.txt
new file mode 100644
index 0000000000..756da3bd19
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED064206.txt
@@ -0,0 +1,68 @@
+ACCESSION: MSBNK-EAWAG-ED064206
+RECORD_TITLE: Cyanopeptolin B; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 1
+COMMENT: CyanoMetDB_ID 642
+CH$NAME: Cyanopeptolin B
+CH$NAME: 4-[[(2S,5S,8S,11R,12S,15S)-15-(4-aminobutyl)-5-benzyl-21-hydroxy-4,11-dimethyl-2-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-3-(hexanoylamino)-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C46H72N8O12
+CH$EXACT_MASS: 928.5269697
+CH$SMILES: CCCCCC(=O)NC(CC(=O)O)C(=O)N[C@H]1[C@H](OC(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](N2C(CCC(C2=O)NC(=O)[C@@H](NC1=O)CCCCN)O)CC(C)C)C)CC3=CC=CC=C3)C(C)C)C
+CH$IUPAC: InChI=1S/C46H72N8O12/c1-8-9-11-19-35(55)48-32(25-37(57)58)41(60)52-39-28(6)66-46(65)38(27(4)5)51-42(61)33(24-29-16-12-10-13-17-29)53(7)45(64)34(23-26(2)3)54-36(56)21-20-31(44(54)63)50-40(59)30(49-43(39)62)18-14-15-22-47/h10,12-13,16-17,26-28,30-34,36,38-39,56H,8-9,11,14-15,18-25,47H2,1-7H3,(H,48,55)(H,49,62)(H,50,59)(H,51,61)(H,52,60)(H,57,58)/t28-,30+,31?,32?,33+,34+,36?,38+,39+/m1/s1
+CH$LINK: PUBCHEM CID:139291933
+CH$LINK: INCHIKEY KSVGOBQTQGOLQM-PLGRJYAQSA-N
+CH$LINK: CHEMSPIDER 78437037
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 96-969
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.795 min
+MS$FOCUSED_ION: BASE_PEAK 957.5401
+MS$FOCUSED_ION: PRECURSOR_M/Z 929.5342
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-001i-0900000000-19f1ea355fb85e3b576e
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  119.0726 C8H9N+ 1 119.073 -3.34
+  124.1117 C8H14N+ 1 124.1121 -2.85
+  129.102 C6H13N2O+ 1 129.1022 -1.61
+  134.0962 C9H12N+ 1 134.0964 -1.95
+  136.1114 C9H14N+ 1 136.1121 -4.6
+  138.0912 C8H12NO+ 1 138.0913 -1.37
+  153.1383 C9H17N2+ 1 153.1386 -1.82
+  162.0909 C10H12NO+ 1 162.0913 -2.67
+  181.133 C10H17N2O+ 2 181.1335 -2.76
+  192.1021 C11H14NO2+ 1 192.1019 1
+  196.108 C9H14N3O2+ 1 196.1081 -0.48
+  209.1278 C9H15N5O+ 2 209.1271 3.18
+  258.1475 C14H18N4O+ 2 258.1475 0.11
+PK$NUM_PEAK: 13
+PK$PEAK: m/z int. rel.int.
+  119.0726 25164.8 24
+  124.1117 113032.4 109
+  129.102 115232 111
+  134.0962 1033120.8 999
+  136.1114 53760.1 51
+  138.0912 15005.8 14
+  153.1383 277048 267
+  162.0909 15841.7 15
+  181.133 417729.4 403
+  192.1021 21600.3 20
+  196.108 16262.5 15
+  209.1278 128751.8 124
+  258.1475 68535.4 66
+//
diff --git a/Eawag/MSBNK-EAWAG-ED064207.txt b/Eawag/MSBNK-EAWAG-ED064207.txt
new file mode 100644
index 0000000000..b95140b20d
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED064207.txt
@@ -0,0 +1,62 @@
+ACCESSION: MSBNK-EAWAG-ED064207
+RECORD_TITLE: Cyanopeptolin B; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 1
+COMMENT: CyanoMetDB_ID 642
+CH$NAME: Cyanopeptolin B
+CH$NAME: 4-[[(2S,5S,8S,11R,12S,15S)-15-(4-aminobutyl)-5-benzyl-21-hydroxy-4,11-dimethyl-2-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-3-(hexanoylamino)-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C46H72N8O12
+CH$EXACT_MASS: 928.5269697
+CH$SMILES: CCCCCC(=O)NC(CC(=O)O)C(=O)N[C@H]1[C@H](OC(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](N2C(CCC(C2=O)NC(=O)[C@@H](NC1=O)CCCCN)O)CC(C)C)C)CC3=CC=CC=C3)C(C)C)C
+CH$IUPAC: InChI=1S/C46H72N8O12/c1-8-9-11-19-35(55)48-32(25-37(57)58)41(60)52-39-28(6)66-46(65)38(27(4)5)51-42(61)33(24-29-16-12-10-13-17-29)53(7)45(64)34(23-26(2)3)54-36(56)21-20-31(44(54)63)50-40(59)30(49-43(39)62)18-14-15-22-47/h10,12-13,16-17,26-28,30-34,36,38-39,56H,8-9,11,14-15,18-25,47H2,1-7H3,(H,48,55)(H,49,62)(H,50,59)(H,51,61)(H,52,60)(H,57,58)/t28-,30+,31?,32?,33+,34+,36?,38+,39+/m1/s1
+CH$LINK: PUBCHEM CID:139291933
+CH$LINK: INCHIKEY KSVGOBQTQGOLQM-PLGRJYAQSA-N
+CH$LINK: CHEMSPIDER 78437037
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 96-969
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.795 min
+MS$FOCUSED_ION: BASE_PEAK 957.5401
+MS$FOCUSED_ION: PRECURSOR_M/Z 929.5342
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-001i-0900000000-ce24842bab17e506a5d7
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  105.07 C8H9+ 1 105.0699 0.93
+  119.0727 C8H9N+ 1 119.073 -2
+  124.1119 C8H14N+ 1 124.1121 -1.75
+  129.1021 C6H13N2O+ 1 129.1022 -0.9
+  134.0962 C9H12N+ 1 134.0964 -1.84
+  136.1119 C9H14N+ 1 136.1121 -1.24
+  152.143 C10H18N+ 1 152.1434 -2.28
+  153.1383 C9H17N2+ 1 153.1386 -2.12
+  155.0818 C7H11N2O2+ 1 155.0815 1.8
+  181.1331 C10H17N2O+ 1 181.1335 -2.34
+PK$NUM_PEAK: 10
+PK$PEAK: m/z int. rel.int.
+  105.07 33599.1 38
+  119.0727 66936.7 76
+  124.1119 190579.4 216
+  129.1021 110255.2 125
+  134.0962 878098.2 999
+  136.1119 81954.4 93
+  152.143 12913.6 14
+  153.1383 152535.5 173
+  155.0818 18177.3 20
+  181.1331 139432.6 158
+//
diff --git a/Eawag/MSBNK-EAWAG-ED064208.txt b/Eawag/MSBNK-EAWAG-ED064208.txt
new file mode 100644
index 0000000000..c593c90223
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED064208.txt
@@ -0,0 +1,64 @@
+ACCESSION: MSBNK-EAWAG-ED064208
+RECORD_TITLE: Cyanopeptolin B; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 1
+COMMENT: CyanoMetDB_ID 642
+CH$NAME: Cyanopeptolin B
+CH$NAME: 4-[[(2S,5S,8S,11R,12S,15S)-15-(4-aminobutyl)-5-benzyl-21-hydroxy-4,11-dimethyl-2-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-3-(hexanoylamino)-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C46H72N8O12
+CH$EXACT_MASS: 928.5269697
+CH$SMILES: CCCCCC(=O)NC(CC(=O)O)C(=O)N[C@H]1[C@H](OC(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](N2C(CCC(C2=O)NC(=O)[C@@H](NC1=O)CCCCN)O)CC(C)C)C)CC3=CC=CC=C3)C(C)C)C
+CH$IUPAC: InChI=1S/C46H72N8O12/c1-8-9-11-19-35(55)48-32(25-37(57)58)41(60)52-39-28(6)66-46(65)38(27(4)5)51-42(61)33(24-29-16-12-10-13-17-29)53(7)45(64)34(23-26(2)3)54-36(56)21-20-31(44(54)63)50-40(59)30(49-43(39)62)18-14-15-22-47/h10,12-13,16-17,26-28,30-34,36,38-39,56H,8-9,11,14-15,18-25,47H2,1-7H3,(H,48,55)(H,49,62)(H,50,59)(H,51,61)(H,52,60)(H,57,58)/t28-,30+,31?,32?,33+,34+,36?,38+,39+/m1/s1
+CH$LINK: PUBCHEM CID:139291933
+CH$LINK: INCHIKEY KSVGOBQTQGOLQM-PLGRJYAQSA-N
+CH$LINK: CHEMSPIDER 78437037
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 96-969
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.795 min
+MS$FOCUSED_ION: BASE_PEAK 957.5401
+MS$FOCUSED_ION: PRECURSOR_M/Z 929.5342
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-001i-0900000000-b190ffced058ac3c943b
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  105.0698 C8H9+ 1 105.0699 -0.81
+  111.0915 C6H11N2+ 1 111.0917 -1.82
+  118.0651 C8H8N+ 1 118.0651 -0.1
+  119.0726 C8H9N+ 1 119.073 -3.02
+  124.1118 C8H14N+ 1 124.1121 -2.3
+  129.1022 C6H13N2O+ 1 129.1022 -0.43
+  134.0961 C9H12N+ 1 134.0964 -2.18
+  136.1119 C9H14N+ 1 136.1121 -1.35
+  153.1381 C9H17N2+ 1 153.1386 -3.62
+  155.0815 C7H11N2O2+ 1 155.0815 -0.07
+  181.1335 C10H17N2O+ 1 181.1335 -0.49
+PK$NUM_PEAK: 11
+PK$PEAK: m/z int. rel.int.
+  105.0698 36147.5 49
+  111.0915 17157.4 23
+  118.0651 30104.7 41
+  119.0726 113299.4 154
+  124.1118 206715.4 282
+  129.1022 72659.5 99
+  134.0961 732278.2 999
+  136.1119 93709.5 127
+  153.1381 49653.5 67
+  155.0815 22384.5 30
+  181.1335 29487.4 40
+//
diff --git a/Eawag/MSBNK-EAWAG-ED064209.txt b/Eawag/MSBNK-EAWAG-ED064209.txt
new file mode 100644
index 0000000000..330a5eac9d
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED064209.txt
@@ -0,0 +1,58 @@
+ACCESSION: MSBNK-EAWAG-ED064209
+RECORD_TITLE: Cyanopeptolin B; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 1
+COMMENT: CyanoMetDB_ID 642
+CH$NAME: Cyanopeptolin B
+CH$NAME: 4-[[(2S,5S,8S,11R,12S,15S)-15-(4-aminobutyl)-5-benzyl-21-hydroxy-4,11-dimethyl-2-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-3-(hexanoylamino)-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C46H72N8O12
+CH$EXACT_MASS: 928.5269697
+CH$SMILES: CCCCCC(=O)NC(CC(=O)O)C(=O)N[C@H]1[C@H](OC(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](N2C(CCC(C2=O)NC(=O)[C@@H](NC1=O)CCCCN)O)CC(C)C)C)CC3=CC=CC=C3)C(C)C)C
+CH$IUPAC: InChI=1S/C46H72N8O12/c1-8-9-11-19-35(55)48-32(25-37(57)58)41(60)52-39-28(6)66-46(65)38(27(4)5)51-42(61)33(24-29-16-12-10-13-17-29)53(7)45(64)34(23-26(2)3)54-36(56)21-20-31(44(54)63)50-40(59)30(49-43(39)62)18-14-15-22-47/h10,12-13,16-17,26-28,30-34,36,38-39,56H,8-9,11,14-15,18-25,47H2,1-7H3,(H,48,55)(H,49,62)(H,50,59)(H,51,61)(H,52,60)(H,57,58)/t28-,30+,31?,32?,33+,34+,36?,38+,39+/m1/s1
+CH$LINK: PUBCHEM CID:139291933
+CH$LINK: INCHIKEY KSVGOBQTQGOLQM-PLGRJYAQSA-N
+CH$LINK: CHEMSPIDER 78437037
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 96-969
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.795 min
+MS$FOCUSED_ION: BASE_PEAK 957.5401
+MS$FOCUSED_ION: PRECURSOR_M/Z 929.5342
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-001i-0900000000-929e57dab27b96f56868
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  105.0697 C8H9+ 1 105.0699 -1.83
+  111.0917 C6H11N2+ 1 111.0917 0.65
+  118.065 C8H8N+ 1 118.0651 -1.2
+  119.0727 C8H9N+ 1 119.073 -2.19
+  124.1119 C8H14N+ 1 124.1121 -1.75
+  129.1017 C6H13N2O+ 1 129.1022 -4.33
+  134.0961 C9H12N+ 1 134.0964 -2.07
+  136.1115 C9H14N+ 1 136.1121 -4.04
+PK$NUM_PEAK: 8
+PK$PEAK: m/z int. rel.int.
+  105.0697 48136.6 85
+  111.0917 11818 20
+  118.065 45002.9 79
+  119.0727 162107.5 286
+  124.1119 158509.2 280
+  129.1017 45991.3 81
+  134.0961 564730.5 999
+  136.1115 71847.2 127
+//
diff --git a/Eawag/MSBNK-EAWAG-ED064251.txt b/Eawag/MSBNK-EAWAG-ED064251.txt
new file mode 100644
index 0000000000..5a385f7412
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED064251.txt
@@ -0,0 +1,52 @@
+ACCESSION: MSBNK-EAWAG-ED064251
+RECORD_TITLE: Cyanopeptolin B; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 1
+COMMENT: CyanoMetDB_ID 642
+CH$NAME: Cyanopeptolin B
+CH$NAME: 4-[[(2S,5S,8S,11R,12S,15S)-15-(4-aminobutyl)-5-benzyl-21-hydroxy-4,11-dimethyl-2-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-3-(hexanoylamino)-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C46H72N8O12
+CH$EXACT_MASS: 928.5269697
+CH$SMILES: CCCCCC(=O)NC(CC(=O)O)C(=O)N[C@H]1[C@H](OC(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](N2C(CCC(C2=O)NC(=O)[C@@H](NC1=O)CCCCN)O)CC(C)C)C)CC3=CC=CC=C3)C(C)C)C
+CH$IUPAC: InChI=1S/C46H72N8O12/c1-8-9-11-19-35(55)48-32(25-37(57)58)41(60)52-39-28(6)66-46(65)38(27(4)5)51-42(61)33(24-29-16-12-10-13-17-29)53(7)45(64)34(23-26(2)3)54-36(56)21-20-31(44(54)63)50-40(59)30(49-43(39)62)18-14-15-22-47/h10,12-13,16-17,26-28,30-34,36,38-39,56H,8-9,11,14-15,18-25,47H2,1-7H3,(H,48,55)(H,49,62)(H,50,59)(H,51,61)(H,52,60)(H,57,58)/t28-,30+,31?,32?,33+,34+,36?,38+,39+/m1/s1
+CH$LINK: PUBCHEM CID:139291933
+CH$LINK: INCHIKEY KSVGOBQTQGOLQM-PLGRJYAQSA-N
+CH$LINK: CHEMSPIDER 78437037
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 96-967
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.752 min
+MS$FOCUSED_ION: BASE_PEAK 955.5518
+MS$FOCUSED_ION: PRECURSOR_M/Z 927.5197
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-004i-0000000009-308b6e6fe92b48fe37a4
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  521.2717 C23H41N2O11- 7 521.2716 0.23
+  636.3721 C44H48N2O2- 10 636.3721 0.02
+  794.4087 C40H56N7O10- 4 794.4094 -0.93
+  909.5084 C46H69N8O11- 1 909.5091 -0.76
+  927.5196 C46H71N8O12- 1 927.5197 -0.07
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  521.2717 29722.1 10
+  636.3721 66908.3 24
+  794.4087 73704 26
+  909.5084 299080.6 109
+  927.5196 2736532 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED064252.txt b/Eawag/MSBNK-EAWAG-ED064252.txt
new file mode 100644
index 0000000000..c138a93450
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED064252.txt
@@ -0,0 +1,54 @@
+ACCESSION: MSBNK-EAWAG-ED064252
+RECORD_TITLE: Cyanopeptolin B; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 1
+COMMENT: CyanoMetDB_ID 642
+CH$NAME: Cyanopeptolin B
+CH$NAME: 4-[[(2S,5S,8S,11R,12S,15S)-15-(4-aminobutyl)-5-benzyl-21-hydroxy-4,11-dimethyl-2-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-3-(hexanoylamino)-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C46H72N8O12
+CH$EXACT_MASS: 928.5269697
+CH$SMILES: CCCCCC(=O)NC(CC(=O)O)C(=O)N[C@H]1[C@H](OC(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](N2C(CCC(C2=O)NC(=O)[C@@H](NC1=O)CCCCN)O)CC(C)C)C)CC3=CC=CC=C3)C(C)C)C
+CH$IUPAC: InChI=1S/C46H72N8O12/c1-8-9-11-19-35(55)48-32(25-37(57)58)41(60)52-39-28(6)66-46(65)38(27(4)5)51-42(61)33(24-29-16-12-10-13-17-29)53(7)45(64)34(23-26(2)3)54-36(56)21-20-31(44(54)63)50-40(59)30(49-43(39)62)18-14-15-22-47/h10,12-13,16-17,26-28,30-34,36,38-39,56H,8-9,11,14-15,18-25,47H2,1-7H3,(H,48,55)(H,49,62)(H,50,59)(H,51,61)(H,52,60)(H,57,58)/t28-,30+,31?,32?,33+,34+,36?,38+,39+/m1/s1
+CH$LINK: PUBCHEM CID:139291933
+CH$LINK: INCHIKEY KSVGOBQTQGOLQM-PLGRJYAQSA-N
+CH$LINK: CHEMSPIDER 78437037
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 96-967
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.752 min
+MS$FOCUSED_ION: BASE_PEAK 955.5518
+MS$FOCUSED_ION: PRECURSOR_M/Z 927.5197
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-056r-0000010009-f7714aa5a7d04cbdf4b2
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  101.0577 CH5N6- 1 101.0581 -4.15
+  521.2716 C23H41N2O11- 6 521.2716 0
+  636.372 C44H48N2O2- 8 636.3721 -0.17
+  794.4097 C40H56N7O10- 5 794.4094 0.37
+  909.5083 C46H69N8O11- 1 909.5091 -0.89
+  927.519 C46H71N8O12- 1 927.5197 -0.79
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  101.0577 47725.7 39
+  521.2716 253012.6 210
+  636.372 128898.4 107
+  794.4097 169751.4 141
+  909.5083 921929.1 768
+  927.519 1198114.4 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED064253.txt b/Eawag/MSBNK-EAWAG-ED064253.txt
new file mode 100644
index 0000000000..d680d746e8
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED064253.txt
@@ -0,0 +1,56 @@
+ACCESSION: MSBNK-EAWAG-ED064253
+RECORD_TITLE: Cyanopeptolin B; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 1
+COMMENT: CyanoMetDB_ID 642
+CH$NAME: Cyanopeptolin B
+CH$NAME: 4-[[(2S,5S,8S,11R,12S,15S)-15-(4-aminobutyl)-5-benzyl-21-hydroxy-4,11-dimethyl-2-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-3-(hexanoylamino)-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C46H72N8O12
+CH$EXACT_MASS: 928.5269697
+CH$SMILES: CCCCCC(=O)NC(CC(=O)O)C(=O)N[C@H]1[C@H](OC(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](N2C(CCC(C2=O)NC(=O)[C@@H](NC1=O)CCCCN)O)CC(C)C)C)CC3=CC=CC=C3)C(C)C)C
+CH$IUPAC: InChI=1S/C46H72N8O12/c1-8-9-11-19-35(55)48-32(25-37(57)58)41(60)52-39-28(6)66-46(65)38(27(4)5)51-42(61)33(24-29-16-12-10-13-17-29)53(7)45(64)34(23-26(2)3)54-36(56)21-20-31(44(54)63)50-40(59)30(49-43(39)62)18-14-15-22-47/h10,12-13,16-17,26-28,30-34,36,38-39,56H,8-9,11,14-15,18-25,47H2,1-7H3,(H,48,55)(H,49,62)(H,50,59)(H,51,61)(H,52,60)(H,57,58)/t28-,30+,31?,32?,33+,34+,36?,38+,39+/m1/s1
+CH$LINK: PUBCHEM CID:139291933
+CH$LINK: INCHIKEY KSVGOBQTQGOLQM-PLGRJYAQSA-N
+CH$LINK: CHEMSPIDER 78437037
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 96-967
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.752 min
+MS$FOCUSED_ION: BASE_PEAK 955.5518
+MS$FOCUSED_ION: PRECURSOR_M/Z 927.5197
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0a4l-0000030709-765823f59e01f9b8c083
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  101.0577 CH5N6- 1 101.0581 -4.45
+  521.2719 C23H41N2O11- 7 521.2716 0.7
+  706.3917 C36H56N3O11- 6 706.392 -0.48
+  714.4183 C35H60N3O12- 6 714.4182 0.1
+  794.4085 C40H56N7O10- 4 794.4094 -1.16
+  909.5089 C46H69N8O11- 1 909.5091 -0.22
+  927.5185 C46H71N8O12- 1 927.5197 -1.25
+PK$NUM_PEAK: 7
+PK$PEAK: m/z int. rel.int.
+  101.0577 47805.1 51
+  521.2719 395749.6 429
+  706.3917 127237 138
+  714.4183 123261.7 133
+  794.4085 741665.4 804
+  909.5089 920881.4 999
+  927.5185 258904.6 280
+//
diff --git a/Eawag/MSBNK-EAWAG-ED064254.txt b/Eawag/MSBNK-EAWAG-ED064254.txt
new file mode 100644
index 0000000000..285f821f10
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED064254.txt
@@ -0,0 +1,54 @@
+ACCESSION: MSBNK-EAWAG-ED064254
+RECORD_TITLE: Cyanopeptolin B; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 1
+COMMENT: CyanoMetDB_ID 642
+CH$NAME: Cyanopeptolin B
+CH$NAME: 4-[[(2S,5S,8S,11R,12S,15S)-15-(4-aminobutyl)-5-benzyl-21-hydroxy-4,11-dimethyl-2-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-3-(hexanoylamino)-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C46H72N8O12
+CH$EXACT_MASS: 928.5269697
+CH$SMILES: CCCCCC(=O)NC(CC(=O)O)C(=O)N[C@H]1[C@H](OC(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](N2C(CCC(C2=O)NC(=O)[C@@H](NC1=O)CCCCN)O)CC(C)C)C)CC3=CC=CC=C3)C(C)C)C
+CH$IUPAC: InChI=1S/C46H72N8O12/c1-8-9-11-19-35(55)48-32(25-37(57)58)41(60)52-39-28(6)66-46(65)38(27(4)5)51-42(61)33(24-29-16-12-10-13-17-29)53(7)45(64)34(23-26(2)3)54-36(56)21-20-31(44(54)63)50-40(59)30(49-43(39)62)18-14-15-22-47/h10,12-13,16-17,26-28,30-34,36,38-39,56H,8-9,11,14-15,18-25,47H2,1-7H3,(H,48,55)(H,49,62)(H,50,59)(H,51,61)(H,52,60)(H,57,58)/t28-,30+,31?,32?,33+,34+,36?,38+,39+/m1/s1
+CH$LINK: PUBCHEM CID:139291933
+CH$LINK: INCHIKEY KSVGOBQTQGOLQM-PLGRJYAQSA-N
+CH$LINK: CHEMSPIDER 78437037
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 96-967
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.752 min
+MS$FOCUSED_ION: BASE_PEAK 955.5518
+MS$FOCUSED_ION: PRECURSOR_M/Z 927.5197
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0006-0000010902-0a5cf23e6c82775c3363
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  179.0459 C8H7N2O3- 1 179.0462 -1.57
+  521.2718 C23H41N2O11- 7 521.2716 0.46
+  714.4174 C35H60N3O12- 6 714.4182 -1.19
+  794.4082 C40H56N7O10- 4 794.4094 -1.55
+  909.5065 C46H69N8O11- 1 909.5091 -2.9
+  927.519 C46H71N8O12- 1 927.5197 -0.73
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  179.0459 51441.1 56
+  521.2718 212099.7 232
+  714.4174 129116.3 141
+  794.4082 913270.7 999
+  909.5065 220220.1 240
+  927.519 25474.4 27
+//
diff --git a/Eawag/MSBNK-EAWAG-ED066801.txt b/Eawag/MSBNK-EAWAG-ED066801.txt
new file mode 100644
index 0000000000..070abe9442
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED066801.txt
@@ -0,0 +1,52 @@
+ACCESSION: MSBNK-EAWAG-ED066801
+RECORD_TITLE: Anabaenopeptin 871; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.05.01
+AUTHORS: E. Janssen [dtc], X. Wang [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 668
+CH$NAME: Anabaenopeptin 871
+CH$NAME: 2-[[12-butan-2-yl-3,9-bis[2-(4-hydroxyphenyl)ethyl]-6,7-dimethyl-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]-3-phenylpropanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C46H61N7O10
+CH$EXACT_MASS: 871.4479912
+CH$SMILES: O=C(NC(CC1=CC=CC=C1)C(O)=O)NC(CCCCNC(C(CCC2=CC=C(O)C=C2)NC3=O)=O)C(NC(C(CC)C)C(NC(CCC4=CC=C(O)C=C4)C(N(C)C3C)=O)=O)=O
+CH$IUPAC: InChI=1S/C46H61N7O10/c1-5-28(2)39-43(59)49-37(25-19-31-16-22-34(55)23-17-31)44(60)53(4)29(3)40(56)48-36(24-18-30-14-20-33(54)21-15-30)41(57)47-26-10-9-13-35(42(58)52-39)50-46(63)51-38(45(61)62)27-32-11-7-6-8-12-32/h6-8,11-12,14-17,20-23,28-29,35-39,54-55H,5,9-10,13,18-19,24-27H2,1-4H3,(H,47,57)(H,48,56)(H,49,59)(H,52,58)(H,61,62)(H2,50,51,63)
+CH$LINK: CHEBI 221335
+CH$LINK: PUBCHEM CID:146684803
+CH$LINK: INCHIKEY PQROCLKHWNWBTI-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 91-911
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.882 min
+MS$FOCUSED_ION: BASE_PEAK 719.4115
+MS$FOCUSED_ION: PRECURSOR_M/Z 872.4553
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00di-0000000090-570d0e61a3d1cfd88c95
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  637.3701 C33H53N2O10+ 5 637.3695 1.01
+  663.3494 C35H47N6O7+ 4 663.3501 -1.02
+  844.4594 C45H62N7O9+ 1 844.4604 -1.14
+  854.4439 C46H60N7O9+ 1 854.4447 -0.93
+  872.4541 C46H62N7O10+ 1 872.4553 -1.36
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  637.3701 97922.2 35
+  663.3494 65052.4 23
+  844.4594 38789.7 14
+  854.4439 58072.4 21
+  872.4541 2740902.5 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED066802.txt b/Eawag/MSBNK-EAWAG-ED066802.txt
new file mode 100644
index 0000000000..f968411211
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED066802.txt
@@ -0,0 +1,64 @@
+ACCESSION: MSBNK-EAWAG-ED066802
+RECORD_TITLE: Anabaenopeptin 871; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.05.01
+AUTHORS: E. Janssen [dtc], X. Wang [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 668
+CH$NAME: Anabaenopeptin 871
+CH$NAME: 2-[[12-butan-2-yl-3,9-bis[2-(4-hydroxyphenyl)ethyl]-6,7-dimethyl-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]-3-phenylpropanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C46H61N7O10
+CH$EXACT_MASS: 871.4479912
+CH$SMILES: O=C(NC(CC1=CC=CC=C1)C(O)=O)NC(CCCCNC(C(CCC2=CC=C(O)C=C2)NC3=O)=O)C(NC(C(CC)C)C(NC(CCC4=CC=C(O)C=C4)C(N(C)C3C)=O)=O)=O
+CH$IUPAC: InChI=1S/C46H61N7O10/c1-5-28(2)39-43(59)49-37(25-19-31-16-22-34(55)23-17-31)44(60)53(4)29(3)40(56)48-36(24-18-30-14-20-33(54)21-15-30)41(57)47-26-10-9-13-35(42(58)52-39)50-46(63)51-38(45(61)62)27-32-11-7-6-8-12-32/h6-8,11-12,14-17,20-23,28-29,35-39,54-55H,5,9-10,13,18-19,24-27H2,1-4H3,(H,47,57)(H,48,56)(H,49,59)(H,52,58)(H,61,62)(H2,50,51,63)
+CH$LINK: CHEBI 221335
+CH$LINK: PUBCHEM CID:146684803
+CH$LINK: INCHIKEY PQROCLKHWNWBTI-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 91-911
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.882 min
+MS$FOCUSED_ION: BASE_PEAK 719.4115
+MS$FOCUSED_ION: PRECURSOR_M/Z 872.4553
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00di-0000003090-f6266f612f2c6810f86d
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  263.1379 C12H17N5O2+ 2 263.1377 0.79
+  362.207 C19H28N3O4+ 4 362.2074 -1.12
+  568.311 C44H40+ 6 568.3125 -2.51
+  596.3077 C33H44N2O8+ 6 596.3092 -2.51
+  635.3563 C36H49N3O7+ 6 635.3565 -0.38
+  637.3693 C33H53N2O10+ 6 637.3695 -0.23
+  663.349 C35H47N6O7+ 4 663.3501 -1.57
+  681.3576 C46H49O5+ 5 681.3575 0.15
+  844.4591 C45H62N7O9+ 1 844.4604 -1.43
+  854.4425 C46H60N7O9+ 1 854.4447 -2.57
+  872.4548 C46H62N7O10+ 1 872.4553 -0.59
+PK$NUM_PEAK: 11
+PK$PEAK: m/z int. rel.int.
+  263.1379 45389.2 41
+  362.207 23050 21
+  568.311 36006.4 33
+  596.3077 75956.3 69
+  635.3563 37063.7 34
+  637.3693 249711.5 229
+  663.349 210014.5 192
+  681.3576 25040.3 22
+  844.4591 150795.2 138
+  854.4425 87639.6 80
+  872.4548 1088223.1 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED066803.txt b/Eawag/MSBNK-EAWAG-ED066803.txt
new file mode 100644
index 0000000000..710adce4f5
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED066803.txt
@@ -0,0 +1,72 @@
+ACCESSION: MSBNK-EAWAG-ED066803
+RECORD_TITLE: Anabaenopeptin 871; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.05.01
+AUTHORS: E. Janssen [dtc], X. Wang [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 668
+CH$NAME: Anabaenopeptin 871
+CH$NAME: 2-[[12-butan-2-yl-3,9-bis[2-(4-hydroxyphenyl)ethyl]-6,7-dimethyl-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]-3-phenylpropanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C46H61N7O10
+CH$EXACT_MASS: 871.4479912
+CH$SMILES: O=C(NC(CC1=CC=CC=C1)C(O)=O)NC(CCCCNC(C(CCC2=CC=C(O)C=C2)NC3=O)=O)C(NC(C(CC)C)C(NC(CCC4=CC=C(O)C=C4)C(N(C)C3C)=O)=O)=O
+CH$IUPAC: InChI=1S/C46H61N7O10/c1-5-28(2)39-43(59)49-37(25-19-31-16-22-34(55)23-17-31)44(60)53(4)29(3)40(56)48-36(24-18-30-14-20-33(54)21-15-30)41(57)47-26-10-9-13-35(42(58)52-39)50-46(63)51-38(45(61)62)27-32-11-7-6-8-12-32/h6-8,11-12,14-17,20-23,28-29,35-39,54-55H,5,9-10,13,18-19,24-27H2,1-4H3,(H,47,57)(H,48,56)(H,49,59)(H,52,58)(H,61,62)(H2,50,51,63)
+CH$LINK: CHEBI 221335
+CH$LINK: PUBCHEM CID:146684803
+CH$LINK: INCHIKEY PQROCLKHWNWBTI-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 91-911
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.882 min
+MS$FOCUSED_ION: BASE_PEAK 719.4115
+MS$FOCUSED_ION: PRECURSOR_M/Z 872.4553
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-01p2-0120229020-401f83d3a9209821e7bc
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  114.0548 C5H8NO2+ 1 114.055 -1.41
+  231.1488 C12H17N5+ 3 231.1478 4.13
+  233.1277 C11H15N5O+ 2 233.1271 2.62
+  263.1382 C12H17N5O2+ 3 263.1377 2.07
+  405.2115 C18H27N7O4+ 4 405.2119 -1
+  460.2907 C23H42NO8+ 3 460.2905 0.47
+  486.2712 C24H40NO9+ 3 486.2698 3.06
+  508.2793 C27H36N6O4+ 3 508.2793 0.06
+  509.2757 C28H37N4O5+ 5 509.2758 -0.38
+  596.3071 C33H44N2O8+ 5 596.3092 -3.54
+  637.3688 C33H53N2O10+ 5 637.3695 -1
+  663.3504 C35H47N6O7+ 5 663.3501 0.46
+  695.3751 C36H51N6O8+ 4 695.3763 -1.71
+  854.4452 C46H60N7O9+ 1 854.4447 0.57
+  872.4563 C46H62N7O10+ 1 872.4553 1.23
+PK$NUM_PEAK: 15
+PK$PEAK: m/z int. rel.int.
+  114.0548 70356.9 255
+  231.1488 45362.3 164
+  233.1277 28995.4 105
+  263.1382 88475.3 320
+  405.2115 55592.2 201
+  460.2907 33597 121
+  486.2712 43725 158
+  508.2793 22158.2 80
+  509.2757 25611.9 92
+  596.3071 101739.9 369
+  637.3688 172589.7 626
+  663.3504 130961.5 475
+  695.3751 275358.6 999
+  854.4452 28499.8 103
+  872.4563 132977.6 482
+//
diff --git a/Eawag/MSBNK-EAWAG-ED066804.txt b/Eawag/MSBNK-EAWAG-ED066804.txt
new file mode 100644
index 0000000000..0bdf6bc79d
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED066804.txt
@@ -0,0 +1,70 @@
+ACCESSION: MSBNK-EAWAG-ED066804
+RECORD_TITLE: Anabaenopeptin 871; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.05.01
+AUTHORS: E. Janssen [dtc], X. Wang [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 668
+CH$NAME: Anabaenopeptin 871
+CH$NAME: 2-[[12-butan-2-yl-3,9-bis[2-(4-hydroxyphenyl)ethyl]-6,7-dimethyl-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]-3-phenylpropanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C46H61N7O10
+CH$EXACT_MASS: 871.4479912
+CH$SMILES: O=C(NC(CC1=CC=CC=C1)C(O)=O)NC(CCCCNC(C(CCC2=CC=C(O)C=C2)NC3=O)=O)C(NC(C(CC)C)C(NC(CCC4=CC=C(O)C=C4)C(N(C)C3C)=O)=O)=O
+CH$IUPAC: InChI=1S/C46H61N7O10/c1-5-28(2)39-43(59)49-37(25-19-31-16-22-34(55)23-17-31)44(60)53(4)29(3)40(56)48-36(24-18-30-14-20-33(54)21-15-30)41(57)47-26-10-9-13-35(42(58)52-39)50-46(63)51-38(45(61)62)27-32-11-7-6-8-12-32/h6-8,11-12,14-17,20-23,28-29,35-39,54-55H,5,9-10,13,18-19,24-27H2,1-4H3,(H,47,57)(H,48,56)(H,49,59)(H,52,58)(H,61,62)(H2,50,51,63)
+CH$LINK: CHEBI 221335
+CH$LINK: PUBCHEM CID:146684803
+CH$LINK: INCHIKEY PQROCLKHWNWBTI-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 91-911
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.882 min
+MS$FOCUSED_ION: BASE_PEAK 719.4115
+MS$FOCUSED_ION: PRECURSOR_M/Z 872.4553
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03dj-0382449000-d06759b453b6bf4c933e
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  114.0546 C5H8NO2+ 1 114.055 -3.08
+  205.1327 C10H15N5+ 2 205.1322 2.22
+  231.1476 C12H17N5+ 2 231.1478 -1.08
+  233.128 C11H15N5O+ 2 233.1271 3.93
+  263.138 C12H17N5O2+ 2 263.1377 1.37
+  277.1537 C15H21N2O3+ 2 277.1547 -3.36
+  362.207 C19H28N3O4+ 4 362.2074 -1.29
+  405.2115 C18H27N7O4+ 4 405.2119 -1.07
+  458.2774 C24H36N5O4+ 3 458.2762 2.61
+  550.3024 C29H44NO9+ 5 550.3011 2.48
+  596.3068 C33H44N2O8+ 6 596.3092 -4.05
+  635.3559 C36H49N3O7+ 5 635.3565 -0.96
+  637.3696 C33H53N2O10+ 5 637.3695 0.15
+  695.3761 C36H51N6O8+ 5 695.3763 -0.31
+PK$NUM_PEAK: 14
+PK$PEAK: m/z int. rel.int.
+  114.0546 89936.5 881
+  205.1327 20427.6 200
+  231.1476 56268.9 551
+  233.128 49738.7 487
+  263.138 58430.4 572
+  277.1537 19195.6 188
+  362.207 70063.6 686
+  405.2115 101922.9 999
+  458.2774 17753.2 174
+  550.3024 43564.9 427
+  596.3068 60667.6 594
+  635.3559 95388.3 934
+  637.3696 43254.5 423
+  695.3761 82224 805
+//
diff --git a/Eawag/MSBNK-EAWAG-ED066805.txt b/Eawag/MSBNK-EAWAG-ED066805.txt
new file mode 100644
index 0000000000..8ab2b13c3f
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED066805.txt
@@ -0,0 +1,62 @@
+ACCESSION: MSBNK-EAWAG-ED066805
+RECORD_TITLE: Anabaenopeptin 871; LC-ESI-QFT; MS2; CE: 35%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.05.01
+AUTHORS: E. Janssen [dtc], X. Wang [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 668
+CH$NAME: Anabaenopeptin 871
+CH$NAME: 2-[[12-butan-2-yl-3,9-bis[2-(4-hydroxyphenyl)ethyl]-6,7-dimethyl-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]-3-phenylpropanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C46H61N7O10
+CH$EXACT_MASS: 871.4479912
+CH$SMILES: O=C(NC(CC1=CC=CC=C1)C(O)=O)NC(CCCCNC(C(CCC2=CC=C(O)C=C2)NC3=O)=O)C(NC(C(CC)C)C(NC(CCC4=CC=C(O)C=C4)C(N(C)C3C)=O)=O)=O
+CH$IUPAC: InChI=1S/C46H61N7O10/c1-5-28(2)39-43(59)49-37(25-19-31-16-22-34(55)23-17-31)44(60)53(4)29(3)40(56)48-36(24-18-30-14-20-33(54)21-15-30)41(57)47-26-10-9-13-35(42(58)52-39)50-46(63)51-38(45(61)62)27-32-11-7-6-8-12-32/h6-8,11-12,14-17,20-23,28-29,35-39,54-55H,5,9-10,13,18-19,24-27H2,1-4H3,(H,47,57)(H,48,56)(H,49,59)(H,52,58)(H,61,62)(H2,50,51,63)
+CH$LINK: CHEBI 221335
+CH$LINK: PUBCHEM CID:146684803
+CH$LINK: INCHIKEY PQROCLKHWNWBTI-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 35 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 91-911
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.882 min
+MS$FOCUSED_ION: BASE_PEAK 719.4115
+MS$FOCUSED_ION: PRECURSOR_M/Z 872.4553
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03di-0965540000-1ca601e15b30e9a54a74
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  114.0548 C5H8NO2+ 1 114.055 -1.41
+  129.1023 C6H13N2O+ 1 129.1022 0.14
+  231.1485 C12H17N5+ 2 231.1478 2.95
+  263.138 C12H17N5O2+ 2 263.1377 1.37
+  277.1535 C15H21N2O3+ 2 277.1547 -4.24
+  320.1597 C14H20N6O3+ 2 320.1591 1.59
+  362.2076 C19H28N3O4+ 4 362.2074 0.4
+  405.212 C19H33O9+ 4 405.2119 0.27
+  550.301 C29H44NO9+ 4 550.3011 -0.19
+  568.3108 C44H40+ 6 568.3125 -2.94
+PK$NUM_PEAK: 10
+PK$PEAK: m/z int. rel.int.
+  114.0548 131693.8 999
+  129.1023 28814.2 218
+  231.1485 63666.4 482
+  263.138 26505.3 201
+  277.1535 17840.2 135
+  320.1597 51091.1 387
+  362.2076 45354.7 344
+  405.212 99930.1 758
+  550.301 45782.6 347
+  568.3108 37137 281
+//
diff --git a/Eawag/MSBNK-EAWAG-ED066851.txt b/Eawag/MSBNK-EAWAG-ED066851.txt
new file mode 100644
index 0000000000..880d74a5c8
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED066851.txt
@@ -0,0 +1,50 @@
+ACCESSION: MSBNK-EAWAG-ED066851
+RECORD_TITLE: Anabaenopeptin 871; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.05.01
+AUTHORS: E. Janssen [dtc], X. Wang [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 668
+CH$NAME: Anabaenopeptin 871
+CH$NAME: 2-[[12-butan-2-yl-3,9-bis[2-(4-hydroxyphenyl)ethyl]-6,7-dimethyl-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]-3-phenylpropanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C46H61N7O10
+CH$EXACT_MASS: 871.4479912
+CH$SMILES: O=C(NC(CC1=CC=CC=C1)C(O)=O)NC(CCCCNC(C(CCC2=CC=C(O)C=C2)NC3=O)=O)C(NC(C(CC)C)C(NC(CCC4=CC=C(O)C=C4)C(N(C)C3C)=O)=O)=O
+CH$IUPAC: InChI=1S/C46H61N7O10/c1-5-28(2)39-43(59)49-37(25-19-31-16-22-34(55)23-17-31)44(60)53(4)29(3)40(56)48-36(24-18-30-14-20-33(54)21-15-30)41(57)47-26-10-9-13-35(42(58)52-39)50-46(63)51-38(45(61)62)27-32-11-7-6-8-12-32/h6-8,11-12,14-17,20-23,28-29,35-39,54-55H,5,9-10,13,18-19,24-27H2,1-4H3,(H,47,57)(H,48,56)(H,49,59)(H,52,58)(H,61,62)(H2,50,51,63)
+CH$LINK: CHEBI 221335
+CH$LINK: PUBCHEM CID:146684803
+CH$LINK: INCHIKEY PQROCLKHWNWBTI-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 90-909
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.896 min
+MS$FOCUSED_ION: BASE_PEAK 763.4039
+MS$FOCUSED_ION: PRECURSOR_M/Z 870.4407
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0ir0-0000006090-e534aa094393c80d96db
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  661.3353 C35H45N6O7- 6 661.3355 -0.31
+  662.3365 C41H46N2O6- 5 662.3361 0.61
+  852.4304 C46H58N7O9- 1 852.4302 0.27
+  870.4407 C46H60N7O10- 1 870.4407 0.03
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  661.3353 968270.1 999
+  662.3365 13134.3 13
+  852.4304 571622.6 589
+  870.4407 706365.7 728
+//
diff --git a/Eawag/MSBNK-EAWAG-ED066852.txt b/Eawag/MSBNK-EAWAG-ED066852.txt
new file mode 100644
index 0000000000..550d950e72
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED066852.txt
@@ -0,0 +1,48 @@
+ACCESSION: MSBNK-EAWAG-ED066852
+RECORD_TITLE: Anabaenopeptin 871; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.05.01
+AUTHORS: E. Janssen [dtc], X. Wang [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 668
+CH$NAME: Anabaenopeptin 871
+CH$NAME: 2-[[12-butan-2-yl-3,9-bis[2-(4-hydroxyphenyl)ethyl]-6,7-dimethyl-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]-3-phenylpropanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C46H61N7O10
+CH$EXACT_MASS: 871.4479912
+CH$SMILES: O=C(NC(CC1=CC=CC=C1)C(O)=O)NC(CCCCNC(C(CCC2=CC=C(O)C=C2)NC3=O)=O)C(NC(C(CC)C)C(NC(CCC4=CC=C(O)C=C4)C(N(C)C3C)=O)=O)=O
+CH$IUPAC: InChI=1S/C46H61N7O10/c1-5-28(2)39-43(59)49-37(25-19-31-16-22-34(55)23-17-31)44(60)53(4)29(3)40(56)48-36(24-18-30-14-20-33(54)21-15-30)41(57)47-26-10-9-13-35(42(58)52-39)50-46(63)51-38(45(61)62)27-32-11-7-6-8-12-32/h6-8,11-12,14-17,20-23,28-29,35-39,54-55H,5,9-10,13,18-19,24-27H2,1-4H3,(H,47,57)(H,48,56)(H,49,59)(H,52,58)(H,61,62)(H2,50,51,63)
+CH$LINK: CHEBI 221335
+CH$LINK: PUBCHEM CID:146684803
+CH$LINK: INCHIKEY PQROCLKHWNWBTI-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 90-909
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.896 min
+MS$FOCUSED_ION: BASE_PEAK 763.4039
+MS$FOCUSED_ION: PRECURSOR_M/Z 870.4407
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03di-0000009040-30f3aedbc0f3d7af38e8
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  661.3351 C35H45N6O7- 6 661.3355 -0.68
+  852.4303 C46H58N7O9- 1 852.4302 0.13
+  870.4396 C46H60N7O10- 1 870.4407 -1.23
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  661.3351 1187943.2 999
+  852.4303 502340.8 422
+  870.4396 37124.5 31
+//
diff --git a/Eawag/MSBNK-EAWAG-ED066853.txt b/Eawag/MSBNK-EAWAG-ED066853.txt
new file mode 100644
index 0000000000..e45d8a49b4
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED066853.txt
@@ -0,0 +1,50 @@
+ACCESSION: MSBNK-EAWAG-ED066853
+RECORD_TITLE: Anabaenopeptin 871; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.05.01
+AUTHORS: E. Janssen [dtc], X. Wang [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 668
+CH$NAME: Anabaenopeptin 871
+CH$NAME: 2-[[12-butan-2-yl-3,9-bis[2-(4-hydroxyphenyl)ethyl]-6,7-dimethyl-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]-3-phenylpropanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C46H61N7O10
+CH$EXACT_MASS: 871.4479912
+CH$SMILES: O=C(NC(CC1=CC=CC=C1)C(O)=O)NC(CCCCNC(C(CCC2=CC=C(O)C=C2)NC3=O)=O)C(NC(C(CC)C)C(NC(CCC4=CC=C(O)C=C4)C(N(C)C3C)=O)=O)=O
+CH$IUPAC: InChI=1S/C46H61N7O10/c1-5-28(2)39-43(59)49-37(25-19-31-16-22-34(55)23-17-31)44(60)53(4)29(3)40(56)48-36(24-18-30-14-20-33(54)21-15-30)41(57)47-26-10-9-13-35(42(58)52-39)50-46(63)51-38(45(61)62)27-32-11-7-6-8-12-32/h6-8,11-12,14-17,20-23,28-29,35-39,54-55H,5,9-10,13,18-19,24-27H2,1-4H3,(H,47,57)(H,48,56)(H,49,59)(H,52,58)(H,61,62)(H2,50,51,63)
+CH$LINK: CHEBI 221335
+CH$LINK: PUBCHEM CID:146684803
+CH$LINK: INCHIKEY PQROCLKHWNWBTI-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 90-909
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.896 min
+MS$FOCUSED_ION: BASE_PEAK 763.4039
+MS$FOCUSED_ION: PRECURSOR_M/Z 870.4407
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03di-0000009030-34cea0cfccd72eeff312
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  208.0974 C9H12N4O2- 2 208.0966 3.83
+  402.2138 C19H32NO8- 3 402.2133 1.2
+  661.3352 C35H45N6O7- 6 661.3355 -0.5
+  852.4302 C46H58N7O9- 1 852.4302 0.06
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  208.0974 31736 25
+  402.2138 49547.4 40
+  661.3352 1222534 999
+  852.4302 435289 355
+//
diff --git a/Eawag/MSBNK-EAWAG-ED066854.txt b/Eawag/MSBNK-EAWAG-ED066854.txt
new file mode 100644
index 0000000000..818b20bb17
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED066854.txt
@@ -0,0 +1,52 @@
+ACCESSION: MSBNK-EAWAG-ED066854
+RECORD_TITLE: Anabaenopeptin 871; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.05.01
+AUTHORS: E. Janssen [dtc], X. Wang [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 668
+CH$NAME: Anabaenopeptin 871
+CH$NAME: 2-[[12-butan-2-yl-3,9-bis[2-(4-hydroxyphenyl)ethyl]-6,7-dimethyl-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]-3-phenylpropanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C46H61N7O10
+CH$EXACT_MASS: 871.4479912
+CH$SMILES: O=C(NC(CC1=CC=CC=C1)C(O)=O)NC(CCCCNC(C(CCC2=CC=C(O)C=C2)NC3=O)=O)C(NC(C(CC)C)C(NC(CCC4=CC=C(O)C=C4)C(N(C)C3C)=O)=O)=O
+CH$IUPAC: InChI=1S/C46H61N7O10/c1-5-28(2)39-43(59)49-37(25-19-31-16-22-34(55)23-17-31)44(60)53(4)29(3)40(56)48-36(24-18-30-14-20-33(54)21-15-30)41(57)47-26-10-9-13-35(42(58)52-39)50-46(63)51-38(45(61)62)27-32-11-7-6-8-12-32/h6-8,11-12,14-17,20-23,28-29,35-39,54-55H,5,9-10,13,18-19,24-27H2,1-4H3,(H,47,57)(H,48,56)(H,49,59)(H,52,58)(H,61,62)(H2,50,51,63)
+CH$LINK: CHEBI 221335
+CH$LINK: PUBCHEM CID:146684803
+CH$LINK: INCHIKEY PQROCLKHWNWBTI-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 90-909
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.896 min
+MS$FOCUSED_ION: BASE_PEAK 763.4039
+MS$FOCUSED_ION: PRECURSOR_M/Z 870.4407
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0ik9-0000109020-e56025a2bdd220c93ef2
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  208.0968 C9H12N4O2- 1 208.0966 1.19
+  402.2133 C19H32NO8- 3 402.2133 -0.09
+  618.3308 C33H48NO10- 5 618.3284 3.98
+  661.3346 C35H45N6O7- 4 661.3355 -1.33
+  852.4298 C46H58N7O9- 1 852.4302 -0.44
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  208.0968 49392.2 54
+  402.2133 189552.3 210
+  618.3308 39985.4 44
+  661.3346 898576.4 999
+  852.4298 284534 316
+//
diff --git a/Eawag/MSBNK-EAWAG-ED066855.txt b/Eawag/MSBNK-EAWAG-ED066855.txt
new file mode 100644
index 0000000000..80cf8f79a6
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED066855.txt
@@ -0,0 +1,66 @@
+ACCESSION: MSBNK-EAWAG-ED066855
+RECORD_TITLE: Anabaenopeptin 871; LC-ESI-QFT; MS2; CE: 35%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.05.01
+AUTHORS: E. Janssen [dtc], X. Wang [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 668
+CH$NAME: Anabaenopeptin 871
+CH$NAME: 2-[[12-butan-2-yl-3,9-bis[2-(4-hydroxyphenyl)ethyl]-6,7-dimethyl-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]-3-phenylpropanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C46H61N7O10
+CH$EXACT_MASS: 871.4479912
+CH$SMILES: O=C(NC(CC1=CC=CC=C1)C(O)=O)NC(CCCCNC(C(CCC2=CC=C(O)C=C2)NC3=O)=O)C(NC(C(CC)C)C(NC(CCC4=CC=C(O)C=C4)C(N(C)C3C)=O)=O)=O
+CH$IUPAC: InChI=1S/C46H61N7O10/c1-5-28(2)39-43(59)49-37(25-19-31-16-22-34(55)23-17-31)44(60)53(4)29(3)40(56)48-36(24-18-30-14-20-33(54)21-15-30)41(57)47-26-10-9-13-35(42(58)52-39)50-46(63)51-38(45(61)62)27-32-11-7-6-8-12-32/h6-8,11-12,14-17,20-23,28-29,35-39,54-55H,5,9-10,13,18-19,24-27H2,1-4H3,(H,47,57)(H,48,56)(H,49,59)(H,52,58)(H,61,62)(H2,50,51,63)
+CH$LINK: CHEBI 221335
+CH$LINK: PUBCHEM CID:146684803
+CH$LINK: INCHIKEY PQROCLKHWNWBTI-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 35 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 90-909
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.896 min
+MS$FOCUSED_ION: BASE_PEAK 763.4039
+MS$FOCUSED_ION: PRECURSOR_M/Z 870.4407
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0ik9-0022519010-a589f3f525c49d5f6108
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  189.0657 C8H7N5O- 1 189.0656 0.48
+  208.0963 C9H12N4O2- 1 208.0966 -1.38
+  233.0924 C10H11N5O2- 2 233.0918 2.66
+  278.1509 C12H18N6O2- 2 278.1497 4.24
+  300.1345 C14H16N6O2- 2 300.134 1.67
+  331.2135 C18H27N4O2- 3 331.2139 -1.22
+  402.2135 C19H32NO8- 3 402.2133 0.44
+  429.2148 C22H29N4O5- 4 429.2143 0.98
+  593.312 C33H43N3O7- 6 593.3106 2.26
+  617.3459 C34H45N6O5- 6 617.3457 0.35
+  661.335 C35H45N6O7- 6 661.3355 -0.77
+  852.4281 C46H58N7O9- 1 852.4302 -2.38
+PK$NUM_PEAK: 12
+PK$PEAK: m/z int. rel.int.
+  189.0657 12517.1 38
+  208.0963 57285.4 175
+  233.0924 23465.8 71
+  278.1509 9467.2 28
+  300.1345 18408.8 56
+  331.2135 68906.2 210
+  402.2135 203805.8 623
+  429.2148 24401.8 74
+  593.312 47737.2 146
+  617.3459 24531 75
+  661.335 326536.2 999
+  852.4281 67696 207
+//
diff --git a/Eawag/MSBNK-EAWAG-ED066856.txt b/Eawag/MSBNK-EAWAG-ED066856.txt
new file mode 100644
index 0000000000..45c13b71f9
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED066856.txt
@@ -0,0 +1,62 @@
+ACCESSION: MSBNK-EAWAG-ED066856
+RECORD_TITLE: Anabaenopeptin 871; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.05.01
+AUTHORS: E. Janssen [dtc], X. Wang [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 668
+CH$NAME: Anabaenopeptin 871
+CH$NAME: 2-[[12-butan-2-yl-3,9-bis[2-(4-hydroxyphenyl)ethyl]-6,7-dimethyl-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]-3-phenylpropanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C46H61N7O10
+CH$EXACT_MASS: 871.4479912
+CH$SMILES: O=C(NC(CC1=CC=CC=C1)C(O)=O)NC(CCCCNC(C(CCC2=CC=C(O)C=C2)NC3=O)=O)C(NC(C(CC)C)C(NC(CCC4=CC=C(O)C=C4)C(N(C)C3C)=O)=O)=O
+CH$IUPAC: InChI=1S/C46H61N7O10/c1-5-28(2)39-43(59)49-37(25-19-31-16-22-34(55)23-17-31)44(60)53(4)29(3)40(56)48-36(24-18-30-14-20-33(54)21-15-30)41(57)47-26-10-9-13-35(42(58)52-39)50-46(63)51-38(45(61)62)27-32-11-7-6-8-12-32/h6-8,11-12,14-17,20-23,28-29,35-39,54-55H,5,9-10,13,18-19,24-27H2,1-4H3,(H,47,57)(H,48,56)(H,49,59)(H,52,58)(H,61,62)(H2,50,51,63)
+CH$LINK: CHEBI 221335
+CH$LINK: PUBCHEM CID:146684803
+CH$LINK: INCHIKEY PQROCLKHWNWBTI-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 90-909
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.896 min
+MS$FOCUSED_ION: BASE_PEAK 763.4039
+MS$FOCUSED_ION: PRECURSOR_M/Z 870.4407
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0udi-0189801000-95eda71f44095cf35adc
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  101.0721 C4H9N2O- 1 101.072 0.75
+  127.0511 C5H7N2O2- 1 127.0513 -1.79
+  208.0966 C9H12N4O2- 1 208.0966 -0.06
+  229.1335 C14H17N2O- 2 229.1346 -4.99
+  278.1501 C12H18N6O2- 2 278.1497 1.39
+  300.1346 C14H16N6O2- 2 300.134 1.88
+  331.2137 C18H27N4O2- 4 331.2139 -0.85
+  399.2035 C21H27N4O4- 4 399.2038 -0.62
+  402.2135 C19H32NO8- 3 402.2133 0.44
+  618.3286 C33H48NO10- 5 618.3284 0.43
+PK$NUM_PEAK: 10
+PK$PEAK: m/z int. rel.int.
+  101.0721 10407.6 83
+  127.0511 15521.5 123
+  208.0966 67517.7 539
+  229.1335 38602.5 308
+  278.1501 17492.8 139
+  300.1346 37472.3 299
+  331.2137 80905.6 646
+  399.2035 12471.4 99
+  402.2135 125088.9 999
+  618.3286 21151.9 168
+//
diff --git a/Eawag/MSBNK-EAWAG-ED069901.txt b/Eawag/MSBNK-EAWAG-ED069901.txt
new file mode 100644
index 0000000000..eee1a3b9f2
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED069901.txt
@@ -0,0 +1,56 @@
+ACCESSION: MSBNK-EAWAG-ED069901
+RECORD_TITLE: Nodulapeptin 879; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md11010001
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 699
+CH$NAME: Nodulapeptin 879
+CH$NAME: 2-(3-(3-(acetoxymethyl)-12-(sec-butyl)-6-(4-hydroxyphenethyl)-7-methyl-2,5,8,11,14-pentaoxo-9-phenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)-3-methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C45H65N7O11
+CH$EXACT_MASS: 879.4742059
+CH$SMILES: O=C(N(C(CCC1=CC=C(O)C=C1)C(NC(COC(C)=O)C2=O)=O)C)C(NC(C(C(CC)C)NC(C(CCCCN2)NC(NC(C(CC)C)C(O)=O)=O)=O)=O)CCC3=CC=CC=C3
+CH$IUPAC: InChI=1S/C45H65N7O11/c1-7-27(3)37-42(58)47-34(23-19-30-14-10-9-11-15-30)43(59)52(6)36(24-20-31-17-21-32(54)22-18-31)41(57)48-35(26-63-29(5)53)39(55)46-25-13-12-16-33(40(56)50-37)49-45(62)51-38(44(60)61)28(4)8-2/h9-11,14-15,17-18,21-22,27-28,33-38,54H,7-8,12-13,16,19-20,23-26H2,1-6H3,(H,46,55)(H,47,58)(H,48,57)(H,50,56)(H,60,61)(H2,49,51,62)
+CH$LINK: PUBCHEM CID:146684894
+CH$LINK: INCHIKEY LTVNLDSXISIYIL-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 91-919
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.768 min
+MS$FOCUSED_ION: BASE_PEAK 132.958
+MS$FOCUSED_ION: PRECURSOR_M/Z 880.4815
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-001i-0000000090-488ba30b891a812b6557
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  689.3665 C39H51N3O8+ 7 689.3671 -0.87
+  719.3969 C35H55N6O10+ 4 719.3974 -0.67
+  723.407 C38H55N6O8+ 5 723.4076 -0.81
+  749.3871 C39H53N6O9+ 4 749.3869 0.27
+  820.4594 C43H62N7O9+ 2 820.4604 -1.22
+  862.4675 C45H64N7O10+ 1 862.4709 -3.97
+  880.4803 C45H66N7O11+ 1 880.4815 -1.32
+PK$NUM_PEAK: 7
+PK$PEAK: m/z int. rel.int.
+  689.3665 13152.2 10
+  719.3969 14255.4 11
+  723.407 52966.6 43
+  749.3871 29237.8 23
+  820.4594 339221.7 278
+  862.4675 31339.5 25
+  880.4803 1218995.9 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED069902.txt b/Eawag/MSBNK-EAWAG-ED069902.txt
new file mode 100644
index 0000000000..addc5e83b4
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED069902.txt
@@ -0,0 +1,50 @@
+ACCESSION: MSBNK-EAWAG-ED069902
+RECORD_TITLE: Nodulapeptin 879; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md11010001
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 699
+CH$NAME: Nodulapeptin 879
+CH$NAME: 2-(3-(3-(acetoxymethyl)-12-(sec-butyl)-6-(4-hydroxyphenethyl)-7-methyl-2,5,8,11,14-pentaoxo-9-phenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)-3-methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C45H65N7O11
+CH$EXACT_MASS: 879.4742059
+CH$SMILES: O=C(N(C(CCC1=CC=C(O)C=C1)C(NC(COC(C)=O)C2=O)=O)C)C(NC(C(C(CC)C)NC(C(CCCCN2)NC(NC(C(CC)C)C(O)=O)=O)=O)=O)CCC3=CC=CC=C3
+CH$IUPAC: InChI=1S/C45H65N7O11/c1-7-27(3)37-42(58)47-34(23-19-30-14-10-9-11-15-30)43(59)52(6)36(24-20-31-17-21-32(54)22-18-31)41(57)48-35(26-63-29(5)53)39(55)46-25-13-12-16-33(40(56)50-37)49-45(62)51-38(44(60)61)28(4)8-2/h9-11,14-15,17-18,21-22,27-28,33-38,54H,7-8,12-13,16,19-20,23-26H2,1-6H3,(H,46,55)(H,47,58)(H,48,57)(H,50,56)(H,60,61)(H2,49,51,62)
+CH$LINK: PUBCHEM CID:146684894
+CH$LINK: INCHIKEY LTVNLDSXISIYIL-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 91-919
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.768 min
+MS$FOCUSED_ION: BASE_PEAK 132.958
+MS$FOCUSED_ION: PRECURSOR_M/Z 880.4815
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0089-0000000090-1e261c37637d18db06a3
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  321.1446 C16H21N2O5+ 4 321.1445 0.22
+  749.3863 C39H53N6O9+ 4 749.3869 -0.71
+  820.4597 C43H62N7O9+ 2 820.4604 -0.77
+  880.4814 C45H66N7O11+ 1 880.4815 -0.07
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  321.1446 29203.2 72
+  749.3863 56865.3 140
+  820.4597 296660.8 735
+  880.4814 402979.5 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED069904.txt b/Eawag/MSBNK-EAWAG-ED069904.txt
new file mode 100644
index 0000000000..294c36b9db
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED069904.txt
@@ -0,0 +1,50 @@
+ACCESSION: MSBNK-EAWAG-ED069904
+RECORD_TITLE: Nodulapeptin 879; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md11010001
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 699
+CH$NAME: Nodulapeptin 879
+CH$NAME: 2-(3-(3-(acetoxymethyl)-12-(sec-butyl)-6-(4-hydroxyphenethyl)-7-methyl-2,5,8,11,14-pentaoxo-9-phenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)-3-methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C45H65N7O11
+CH$EXACT_MASS: 879.4742059
+CH$SMILES: O=C(N(C(CCC1=CC=C(O)C=C1)C(NC(COC(C)=O)C2=O)=O)C)C(NC(C(C(CC)C)NC(C(CCCCN2)NC(NC(C(CC)C)C(O)=O)=O)=O)=O)CCC3=CC=CC=C3
+CH$IUPAC: InChI=1S/C45H65N7O11/c1-7-27(3)37-42(58)47-34(23-19-30-14-10-9-11-15-30)43(59)52(6)36(24-20-31-17-21-32(54)22-18-31)41(57)48-35(26-63-29(5)53)39(55)46-25-13-12-16-33(40(56)50-37)49-45(62)51-38(44(60)61)28(4)8-2/h9-11,14-15,17-18,21-22,27-28,33-38,54H,7-8,12-13,16,19-20,23-26H2,1-6H3,(H,46,55)(H,47,58)(H,48,57)(H,50,56)(H,60,61)(H2,49,51,62)
+CH$LINK: PUBCHEM CID:146684894
+CH$LINK: INCHIKEY LTVNLDSXISIYIL-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 91-919
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.768 min
+MS$FOCUSED_ION: BASE_PEAK 132.958
+MS$FOCUSED_ION: PRECURSOR_M/Z 880.4815
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-03dl-0913500000-ca6d58a4054faf9c59c0
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  164.1069 C10H14NO+ 1 164.107 -0.74
+  213.123 C10H17N2O3+ 2 213.1234 -1.7
+  321.1435 C16H21N2O5+ 3 321.1445 -3.2
+  493.2303 C23H33N4O8+ 4 493.2293 2.1
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  164.1069 153528.4 999
+  213.123 27432.5 178
+  321.1435 60817.4 395
+  493.2303 91642.7 596
+//
diff --git a/Eawag/MSBNK-EAWAG-ED069905.txt b/Eawag/MSBNK-EAWAG-ED069905.txt
new file mode 100644
index 0000000000..39dabcb514
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED069905.txt
@@ -0,0 +1,58 @@
+ACCESSION: MSBNK-EAWAG-ED069905
+RECORD_TITLE: Nodulapeptin 879; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md11010001
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 699
+CH$NAME: Nodulapeptin 879
+CH$NAME: 2-(3-(3-(acetoxymethyl)-12-(sec-butyl)-6-(4-hydroxyphenethyl)-7-methyl-2,5,8,11,14-pentaoxo-9-phenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)-3-methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C45H65N7O11
+CH$EXACT_MASS: 879.4742059
+CH$SMILES: O=C(N(C(CCC1=CC=C(O)C=C1)C(NC(COC(C)=O)C2=O)=O)C)C(NC(C(C(CC)C)NC(C(CCCCN2)NC(NC(C(CC)C)C(O)=O)=O)=O)=O)CCC3=CC=CC=C3
+CH$IUPAC: InChI=1S/C45H65N7O11/c1-7-27(3)37-42(58)47-34(23-19-30-14-10-9-11-15-30)43(59)52(6)36(24-20-31-17-21-32(54)22-18-31)41(57)48-35(26-63-29(5)53)39(55)46-25-13-12-16-33(40(56)50-37)49-45(62)51-38(44(60)61)28(4)8-2/h9-11,14-15,17-18,21-22,27-28,33-38,54H,7-8,12-13,16,19-20,23-26H2,1-6H3,(H,46,55)(H,47,58)(H,48,57)(H,50,56)(H,60,61)(H2,49,51,62)
+CH$LINK: PUBCHEM CID:146684894
+CH$LINK: INCHIKEY LTVNLDSXISIYIL-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 91-919
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.768 min
+MS$FOCUSED_ION: BASE_PEAK 132.958
+MS$FOCUSED_ION: PRECURSOR_M/Z 880.4815
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-03di-0910000000-ec323850382569409e4b
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  107.049 C7H7O+ 1 107.0491 -1.59
+  133.0647 C9H9O+ 1 133.0648 -0.57
+  134.0963 C9H12N+ 1 134.0964 -0.65
+  153.1023 C8H13N2O+ 1 153.1022 0.35
+  164.1068 C10H14NO+ 1 164.107 -1.39
+  171.1125 C8H15N2O2+ 1 171.1128 -1.53
+  195.1131 C10H15N2O2+ 1 195.1128 1.57
+  284.1233 C10H16N6O4+ 2 284.1228 2.01
+PK$NUM_PEAK: 8
+PK$PEAK: m/z int. rel.int.
+  107.049 117361.2 422
+  133.0647 14357.7 51
+  134.0963 26305.6 94
+  153.1023 41058.2 147
+  164.1068 277790.9 999
+  171.1125 24942.5 89
+  195.1131 35634.9 128
+  284.1233 68276.8 245
+//
diff --git a/Eawag/MSBNK-EAWAG-ED069906.txt b/Eawag/MSBNK-EAWAG-ED069906.txt
new file mode 100644
index 0000000000..7185fe5f8d
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED069906.txt
@@ -0,0 +1,52 @@
+ACCESSION: MSBNK-EAWAG-ED069906
+RECORD_TITLE: Nodulapeptin 879; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md11010001
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 699
+CH$NAME: Nodulapeptin 879
+CH$NAME: 2-(3-(3-(acetoxymethyl)-12-(sec-butyl)-6-(4-hydroxyphenethyl)-7-methyl-2,5,8,11,14-pentaoxo-9-phenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)-3-methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C45H65N7O11
+CH$EXACT_MASS: 879.4742059
+CH$SMILES: O=C(N(C(CCC1=CC=C(O)C=C1)C(NC(COC(C)=O)C2=O)=O)C)C(NC(C(C(CC)C)NC(C(CCCCN2)NC(NC(C(CC)C)C(O)=O)=O)=O)=O)CCC3=CC=CC=C3
+CH$IUPAC: InChI=1S/C45H65N7O11/c1-7-27(3)37-42(58)47-34(23-19-30-14-10-9-11-15-30)43(59)52(6)36(24-20-31-17-21-32(54)22-18-31)41(57)48-35(26-63-29(5)53)39(55)46-25-13-12-16-33(40(56)50-37)49-45(62)51-38(44(60)61)28(4)8-2/h9-11,14-15,17-18,21-22,27-28,33-38,54H,7-8,12-13,16,19-20,23-26H2,1-6H3,(H,46,55)(H,47,58)(H,48,57)(H,50,56)(H,60,61)(H2,49,51,62)
+CH$LINK: PUBCHEM CID:146684894
+CH$LINK: INCHIKEY LTVNLDSXISIYIL-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 91-919
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.768 min
+MS$FOCUSED_ION: BASE_PEAK 132.958
+MS$FOCUSED_ION: PRECURSOR_M/Z 880.4815
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0bt9-0900000000-84c2a5d28f4bf04df306
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  107.049 C7H7O+ 1 107.0491 -1.02
+  153.102 C8H13N2O+ 1 153.1022 -1.35
+  164.1069 C10H14NO+ 1 164.107 -0.46
+  181.0969 C9H13N2O2+ 1 181.0972 -1.56
+  195.1128 C10H15N2O2+ 1 195.1128 -0.23
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  107.049 232865.8 999
+  153.102 65617.2 281
+  164.1069 198731.1 852
+  181.0969 17424.1 74
+  195.1128 55679.9 238
+//
diff --git a/Eawag/MSBNK-EAWAG-ED069951.txt b/Eawag/MSBNK-EAWAG-ED069951.txt
new file mode 100644
index 0000000000..25a751c3e9
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED069951.txt
@@ -0,0 +1,48 @@
+ACCESSION: MSBNK-EAWAG-ED069951
+RECORD_TITLE: Nodulapeptin 879; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md11010001
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 699
+CH$NAME: Nodulapeptin 879
+CH$NAME: 2-(3-(3-(acetoxymethyl)-12-(sec-butyl)-6-(4-hydroxyphenethyl)-7-methyl-2,5,8,11,14-pentaoxo-9-phenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)-3-methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C45H65N7O11
+CH$EXACT_MASS: 879.4742059
+CH$SMILES: O=C(N(C(CCC1=CC=C(O)C=C1)C(NC(COC(C)=O)C2=O)=O)C)C(NC(C(C(CC)C)NC(C(CCCCN2)NC(NC(C(CC)C)C(O)=O)=O)=O)=O)CCC3=CC=CC=C3
+CH$IUPAC: InChI=1S/C45H65N7O11/c1-7-27(3)37-42(58)47-34(23-19-30-14-10-9-11-15-30)43(59)52(6)36(24-20-31-17-21-32(54)22-18-31)41(57)48-35(26-63-29(5)53)39(55)46-25-13-12-16-33(40(56)50-37)49-45(62)51-38(44(60)61)28(4)8-2/h9-11,14-15,17-18,21-22,27-28,33-38,54H,7-8,12-13,16,19-20,23-26H2,1-6H3,(H,46,55)(H,47,58)(H,48,57)(H,50,56)(H,60,61)(H2,49,51,62)
+CH$LINK: PUBCHEM CID:146684894
+CH$LINK: INCHIKEY LTVNLDSXISIYIL-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 91-917
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.784 min
+MS$FOCUSED_ION: BASE_PEAK 896.4238
+MS$FOCUSED_ION: PRECURSOR_M/Z 878.4669
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0002-0000000940-69ed2c8e570b692d91fc
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  687.3507 C37H47N6O7- 6 687.3512 -0.74
+  747.3719 C39H51N6O9- 4 747.3723 -0.58
+  860.4561 C45H62N7O10- 1 860.4564 -0.34
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  687.3507 81765.5 110
+  747.3719 737122.2 999
+  860.4561 344011.7 466
+//
diff --git a/Eawag/MSBNK-EAWAG-ED069952.txt b/Eawag/MSBNK-EAWAG-ED069952.txt
new file mode 100644
index 0000000000..13cdc4d405
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED069952.txt
@@ -0,0 +1,48 @@
+ACCESSION: MSBNK-EAWAG-ED069952
+RECORD_TITLE: Nodulapeptin 879; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md11010001
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 699
+CH$NAME: Nodulapeptin 879
+CH$NAME: 2-(3-(3-(acetoxymethyl)-12-(sec-butyl)-6-(4-hydroxyphenethyl)-7-methyl-2,5,8,11,14-pentaoxo-9-phenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)-3-methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C45H65N7O11
+CH$EXACT_MASS: 879.4742059
+CH$SMILES: O=C(N(C(CCC1=CC=C(O)C=C1)C(NC(COC(C)=O)C2=O)=O)C)C(NC(C(C(CC)C)NC(C(CCCCN2)NC(NC(C(CC)C)C(O)=O)=O)=O)=O)CCC3=CC=CC=C3
+CH$IUPAC: InChI=1S/C45H65N7O11/c1-7-27(3)37-42(58)47-34(23-19-30-14-10-9-11-15-30)43(59)52(6)36(24-20-31-17-21-32(54)22-18-31)41(57)48-35(26-63-29(5)53)39(55)46-25-13-12-16-33(40(56)50-37)49-45(62)51-38(44(60)61)28(4)8-2/h9-11,14-15,17-18,21-22,27-28,33-38,54H,7-8,12-13,16,19-20,23-26H2,1-6H3,(H,46,55)(H,47,58)(H,48,57)(H,50,56)(H,60,61)(H2,49,51,62)
+CH$LINK: PUBCHEM CID:146684894
+CH$LINK: INCHIKEY LTVNLDSXISIYIL-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 91-917
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.784 min
+MS$FOCUSED_ION: BASE_PEAK 896.4238
+MS$FOCUSED_ION: PRECURSOR_M/Z 878.4669
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-01p2-0000007940-c31edc658207d3863ff7
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  687.3513 C37H47N6O7- 6 687.3512 0.14
+  747.3714 C39H51N6O9- 4 747.3723 -1.15
+  860.4546 C45H62N7O10- 1 860.4564 -2.04
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  687.3513 370108.4 823
+  747.3714 448952.7 999
+  860.4546 246655.4 548
+//
diff --git a/Eawag/MSBNK-EAWAG-ED069953.txt b/Eawag/MSBNK-EAWAG-ED069953.txt
new file mode 100644
index 0000000000..8947dbc3bd
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED069953.txt
@@ -0,0 +1,50 @@
+ACCESSION: MSBNK-EAWAG-ED069953
+RECORD_TITLE: Nodulapeptin 879; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md11010001
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 699
+CH$NAME: Nodulapeptin 879
+CH$NAME: 2-(3-(3-(acetoxymethyl)-12-(sec-butyl)-6-(4-hydroxyphenethyl)-7-methyl-2,5,8,11,14-pentaoxo-9-phenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)-3-methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C45H65N7O11
+CH$EXACT_MASS: 879.4742059
+CH$SMILES: O=C(N(C(CCC1=CC=C(O)C=C1)C(NC(COC(C)=O)C2=O)=O)C)C(NC(C(C(CC)C)NC(C(CCCCN2)NC(NC(C(CC)C)C(O)=O)=O)=O)=O)CCC3=CC=CC=C3
+CH$IUPAC: InChI=1S/C45H65N7O11/c1-7-27(3)37-42(58)47-34(23-19-30-14-10-9-11-15-30)43(59)52(6)36(24-20-31-17-21-32(54)22-18-31)41(57)48-35(26-63-29(5)53)39(55)46-25-13-12-16-33(40(56)50-37)49-45(62)51-38(44(60)61)28(4)8-2/h9-11,14-15,17-18,21-22,27-28,33-38,54H,7-8,12-13,16,19-20,23-26H2,1-6H3,(H,46,55)(H,47,58)(H,48,57)(H,50,56)(H,60,61)(H2,49,51,62)
+CH$LINK: PUBCHEM CID:146684894
+CH$LINK: INCHIKEY LTVNLDSXISIYIL-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 91-917
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.784 min
+MS$FOCUSED_ION: BASE_PEAK 896.4238
+MS$FOCUSED_ION: PRECURSOR_M/Z 878.4669
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-000i-0000109110-e24e5f224576cb88e98e
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  430.2091 C21H28N5O5- 3 430.2096 -1.09
+  687.3506 C37H47N6O7- 6 687.3512 -0.83
+  747.371 C39H51N6O9- 2 747.3723 -1.72
+  800.437 C45H60N4O9- 2 800.4366 0.47
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  430.2091 133252.4 218
+  687.3506 608647.2 999
+  747.371 107952.4 177
+  800.437 111524.4 183
+//
diff --git a/Eawag/MSBNK-EAWAG-ED073301.txt b/Eawag/MSBNK-EAWAG-ED073301.txt
new file mode 100644
index 0000000000..174210b6c4
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED073301.txt
@@ -0,0 +1,50 @@
+ACCESSION: MSBNK-EAWAG-ED073301
+RECORD_TITLE: [Met6] Nodulapeptin C; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1016/j.chembiol.2010.01.017
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 733
+CH$NAME: [Met6] Nodulapeptin C
+CH$NAME: 2-(3-(6-(4-hydroxyphenethyl)-7-methyl-3,12-bis(2-(methylthio)ethyl)-2,5,8,11,14-pentaoxo-9-phenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)-3-methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C44H65N7O9S2
+CH$EXACT_MASS: 899.4285187
+CH$SMILES: O=C(N(C(CCC1=CC=C(O)C=C1)C(NC(CCSC)C2=O)=O)C)C(NC(C(CCSC)NC(C(CCCCN2)NC(NC(C(CC)C)C(O)=O)=O)=O)=O)CCC3=CC=CC=C3
+CH$IUPAC: InChI=1S/C44H65N7O9S2/c1-6-28(2)37(43(58)59)50-44(60)49-32-14-10-11-25-45-38(53)33(23-26-61-4)47-41(56)36(22-18-30-15-19-31(52)20-16-30)51(3)42(57)35(21-17-29-12-8-7-9-13-29)48-40(55)34(24-27-62-5)46-39(32)54/h7-9,12-13,15-16,19-20,28,32-37,52H,6,10-11,14,17-18,21-27H2,1-5H3,(H,45,53)(H,46,54)(H,47,56)(H,48,55)(H,58,59)(H2,49,50,60)
+CH$LINK: PUBCHEM CID:146684826
+CH$LINK: INCHIKEY UVYPXLQJIYVPPA-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 93-939
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.313 min
+MS$FOCUSED_ION: BASE_PEAK 132.958
+MS$FOCUSED_ION: PRECURSOR_M/Z 900.4358
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0udi-0000000009-5fa3b50f18574efd1eae
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  100.0494 CH4N6+ 1 100.0492 2.09
+  872.4389 C43H66N7O8S2+ 1 872.4409 -2.23
+  882.4238 C44H64N7O8S2+ 1 882.4252 -1.62
+  900.4339 C44H66N7O9S2+ 1 900.4358 -2.12
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  100.0494 337019.2 50
+  872.4389 188800.5 28
+  882.4238 137189.6 20
+  900.4339 6631344.5 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED073302.txt b/Eawag/MSBNK-EAWAG-ED073302.txt
new file mode 100644
index 0000000000..30f422ceb3
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED073302.txt
@@ -0,0 +1,66 @@
+ACCESSION: MSBNK-EAWAG-ED073302
+RECORD_TITLE: [Met6] Nodulapeptin C; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1016/j.chembiol.2010.01.017
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 733
+CH$NAME: [Met6] Nodulapeptin C
+CH$NAME: 2-(3-(6-(4-hydroxyphenethyl)-7-methyl-3,12-bis(2-(methylthio)ethyl)-2,5,8,11,14-pentaoxo-9-phenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)-3-methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C44H65N7O9S2
+CH$EXACT_MASS: 899.4285187
+CH$SMILES: O=C(N(C(CCC1=CC=C(O)C=C1)C(NC(CCSC)C2=O)=O)C)C(NC(C(CCSC)NC(C(CCCCN2)NC(NC(C(CC)C)C(O)=O)=O)=O)=O)CCC3=CC=CC=C3
+CH$IUPAC: InChI=1S/C44H65N7O9S2/c1-6-28(2)37(43(58)59)50-44(60)49-32-14-10-11-25-45-38(53)33(23-26-61-4)47-41(56)36(22-18-30-15-19-31(52)20-16-30)51(3)42(57)35(21-17-29-12-8-7-9-13-29)48-40(55)34(24-27-62-5)46-39(32)54/h7-9,12-13,15-16,19-20,28,32-37,52H,6,10-11,14,17-18,21-27H2,1-5H3,(H,45,53)(H,46,54)(H,47,56)(H,48,55)(H,58,59)(H2,49,50,60)
+CH$LINK: PUBCHEM CID:146684826
+CH$LINK: INCHIKEY UVYPXLQJIYVPPA-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 93-939
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.313 min
+MS$FOCUSED_ION: BASE_PEAK 132.958
+MS$FOCUSED_ION: PRECURSOR_M/Z 900.4358
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0udi-0001000629-0bf790a53b0daff951b5
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  100.0495 CH4N6+ 1 100.0492 2.93
+  164.1069 C10H14NO+ 3 164.107 -0.74
+  220.097 C4H18N3O5S+ 4 220.0962 3.99
+  323.1423 C16H23N2O3S+ 8 323.1424 -0.25
+  353.1855 C13H29N4O5S+ 10 353.1853 0.49
+  615.266 C36H41NO6S+ 14 615.2649 1.73
+  739.3511 C40H49N7O5S+ 10 739.351 0.09
+  743.3616 C37H55N6O6S2+ 11 743.3619 -0.4
+  769.3402 C44H47N7O4S+ 8 769.3405 -0.37
+  872.4406 C43H66N7O8S2+ 1 872.4409 -0.27
+  882.4252 C44H64N7O8S2+ 1 882.4252 -0.02
+  900.4349 C44H66N7O9S2+ 1 900.4358 -1.04
+PK$NUM_PEAK: 12
+PK$PEAK: m/z int. rel.int.
+  100.0495 123088.8 49
+  164.1069 63947.7 25
+  220.097 27383.2 11
+  323.1423 178071.8 71
+  353.1855 123617.7 49
+  615.266 117497.6 47
+  739.3511 388878.3 156
+  743.3616 748313.6 301
+  769.3402 624088.9 251
+  872.4406 478268.7 192
+  882.4252 127825.2 51
+  900.4349 2477408.2 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED073303.txt b/Eawag/MSBNK-EAWAG-ED073303.txt
new file mode 100644
index 0000000000..bdaaeca502
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED073303.txt
@@ -0,0 +1,70 @@
+ACCESSION: MSBNK-EAWAG-ED073303
+RECORD_TITLE: [Met6] Nodulapeptin C; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1016/j.chembiol.2010.01.017
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 733
+CH$NAME: [Met6] Nodulapeptin C
+CH$NAME: 2-(3-(6-(4-hydroxyphenethyl)-7-methyl-3,12-bis(2-(methylthio)ethyl)-2,5,8,11,14-pentaoxo-9-phenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)-3-methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C44H65N7O9S2
+CH$EXACT_MASS: 899.4285187
+CH$SMILES: O=C(N(C(CCC1=CC=C(O)C=C1)C(NC(CCSC)C2=O)=O)C)C(NC(C(CCSC)NC(C(CCCCN2)NC(NC(C(CC)C)C(O)=O)=O)=O)=O)CCC3=CC=CC=C3
+CH$IUPAC: InChI=1S/C44H65N7O9S2/c1-6-28(2)37(43(58)59)50-44(60)49-32-14-10-11-25-45-38(53)33(23-26-61-4)47-41(56)36(22-18-30-15-19-31(52)20-16-30)51(3)42(57)35(21-17-29-12-8-7-9-13-29)48-40(55)34(24-27-62-5)46-39(32)54/h7-9,12-13,15-16,19-20,28,32-37,52H,6,10-11,14,17-18,21-27H2,1-5H3,(H,45,53)(H,46,54)(H,47,56)(H,48,55)(H,58,59)(H2,49,50,60)
+CH$LINK: PUBCHEM CID:146684826
+CH$LINK: INCHIKEY UVYPXLQJIYVPPA-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 93-939
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.313 min
+MS$FOCUSED_ION: BASE_PEAK 132.958
+MS$FOCUSED_ION: PRECURSOR_M/Z 900.4358
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-00du-0213000911-a5c88c22635e75e8fe56
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  107.0495 C7H7O+ 1 107.0491 3.54
+  164.1068 C10H14NO+ 2 164.107 -1.3
+  215.1217 C10H19N2OS+ 4 215.1213 2.12
+  220.096 C4H18N3O5S+ 4 220.0962 -0.93
+  323.1425 C16H23N2O3S+ 8 323.1424 0.42
+  325.1913 C6H35N3O7S2+ 10 325.1911 0.7
+  389.2212 C17H33N4O4S+ 11 389.2217 -1.41
+  739.3509 C40H49N7O5S+ 10 739.351 -0.16
+  743.3623 C37H55N6O6S2+ 11 743.3619 0.58
+  769.3401 C44H47N7O4S+ 8 769.3405 -0.53
+  787.3514 C41H53N7O5S2+ 6 787.3544 -3.86
+  872.4402 C43H66N7O8S2+ 1 872.4409 -0.76
+  882.4228 C44H64N7O8S2+ 1 882.4252 -2.72
+  900.4341 C44H66N7O9S2+ 1 900.4358 -1.85
+PK$NUM_PEAK: 14
+PK$PEAK: m/z int. rel.int.
+  107.0495 31690.3 78
+  164.1068 288495.1 715
+  215.1217 71983.9 178
+  220.096 71601.6 177
+  323.1425 389817.8 967
+  325.1913 34808.3 86
+  389.2212 39932.8 99
+  739.3509 394883.9 979
+  743.3623 402599.5 999
+  769.3401 247795 614
+  787.3514 189986.7 471
+  872.4402 189065.3 469
+  882.4228 35320 87
+  900.4341 236132.8 585
+//
diff --git a/Eawag/MSBNK-EAWAG-ED073304.txt b/Eawag/MSBNK-EAWAG-ED073304.txt
new file mode 100644
index 0000000000..ef255ab2b5
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED073304.txt
@@ -0,0 +1,76 @@
+ACCESSION: MSBNK-EAWAG-ED073304
+RECORD_TITLE: [Met6] Nodulapeptin C; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1016/j.chembiol.2010.01.017
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 733
+CH$NAME: [Met6] Nodulapeptin C
+CH$NAME: 2-(3-(6-(4-hydroxyphenethyl)-7-methyl-3,12-bis(2-(methylthio)ethyl)-2,5,8,11,14-pentaoxo-9-phenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)-3-methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C44H65N7O9S2
+CH$EXACT_MASS: 899.4285187
+CH$SMILES: O=C(N(C(CCC1=CC=C(O)C=C1)C(NC(CCSC)C2=O)=O)C)C(NC(C(CCSC)NC(C(CCCCN2)NC(NC(C(CC)C)C(O)=O)=O)=O)=O)CCC3=CC=CC=C3
+CH$IUPAC: InChI=1S/C44H65N7O9S2/c1-6-28(2)37(43(58)59)50-44(60)49-32-14-10-11-25-45-38(53)33(23-26-61-4)47-41(56)36(22-18-30-15-19-31(52)20-16-30)51(3)42(57)35(21-17-29-12-8-7-9-13-29)48-40(55)34(24-27-62-5)46-39(32)54/h7-9,12-13,15-16,19-20,28,32-37,52H,6,10-11,14,17-18,21-27H2,1-5H3,(H,45,53)(H,46,54)(H,47,56)(H,48,55)(H,58,59)(H2,49,50,60)
+CH$LINK: PUBCHEM CID:146684826
+CH$LINK: INCHIKEY UVYPXLQJIYVPPA-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 93-939
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.313 min
+MS$FOCUSED_ION: BASE_PEAK 132.958
+MS$FOCUSED_ION: PRECURSOR_M/Z 900.4358
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-03k9-0946000000-ddfaedbbe20f90cb322b
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  104.053 C4H10NS+ 1 104.0528 1.65
+  107.0492 C7H7O+ 1 107.0491 0.33
+  129.1025 C6H13N2O+ 2 129.1022 2.18
+  133.0645 C9H9O+ 2 133.0648 -1.83
+  164.1068 C10H14NO+ 2 164.107 -1.3
+  192.1017 C11H14NO2+ 4 192.1019 -1.28
+  215.1213 C10H19N2OS+ 4 215.1213 0.21
+  220.0953 C4H18N3O5S+ 4 220.0962 -3.77
+  238.1189 C11H16N3O3+ 4 238.1186 1.03
+  265.1367 C7H23NO9+ 6 265.1367 -0.06
+  295.1473 C15H23N2O2S+ 8 295.1475 -0.66
+  304.1324 C12H22N3O4S+ 10 304.1326 -0.49
+  323.1423 C16H23N2O3S+ 8 323.1424 -0.34
+  325.1913 C6H35N3O7S2+ 9 325.1911 0.51
+  353.1852 C13H29N4O5S+ 10 353.1853 -0.37
+  389.2205 C17H33N4O4S+ 10 389.2217 -3.05
+  582.2778 C24H46N4O8S2+ 14 582.2752 4.55
+PK$NUM_PEAK: 17
+PK$PEAK: m/z int. rel.int.
+  104.053 25438 34
+  107.0492 122955.3 169
+  129.1025 30563 42
+  133.0645 40017.1 55
+  164.1068 726651.4 999
+  192.1017 66776.6 91
+  215.1213 129356.1 177
+  220.0953 75327.6 103
+  238.1189 23493.2 32
+  265.1367 64455 88
+  295.1473 177810.8 244
+  304.1324 89596 123
+  323.1423 406460 558
+  325.1913 51505.1 70
+  353.1852 82568.8 113
+  389.2205 68443.8 94
+  582.2778 36042.3 49
+//
diff --git a/Eawag/MSBNK-EAWAG-ED073305.txt b/Eawag/MSBNK-EAWAG-ED073305.txt
new file mode 100644
index 0000000000..ef48ea97de
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED073305.txt
@@ -0,0 +1,76 @@
+ACCESSION: MSBNK-EAWAG-ED073305
+RECORD_TITLE: [Met6] Nodulapeptin C; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1016/j.chembiol.2010.01.017
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 733
+CH$NAME: [Met6] Nodulapeptin C
+CH$NAME: 2-(3-(6-(4-hydroxyphenethyl)-7-methyl-3,12-bis(2-(methylthio)ethyl)-2,5,8,11,14-pentaoxo-9-phenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)-3-methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C44H65N7O9S2
+CH$EXACT_MASS: 899.4285187
+CH$SMILES: O=C(N(C(CCC1=CC=C(O)C=C1)C(NC(CCSC)C2=O)=O)C)C(NC(C(CCSC)NC(C(CCCCN2)NC(NC(C(CC)C)C(O)=O)=O)=O)=O)CCC3=CC=CC=C3
+CH$IUPAC: InChI=1S/C44H65N7O9S2/c1-6-28(2)37(43(58)59)50-44(60)49-32-14-10-11-25-45-38(53)33(23-26-61-4)47-41(56)36(22-18-30-15-19-31(52)20-16-30)51(3)42(57)35(21-17-29-12-8-7-9-13-29)48-40(55)34(24-27-62-5)46-39(32)54/h7-9,12-13,15-16,19-20,28,32-37,52H,6,10-11,14,17-18,21-27H2,1-5H3,(H,45,53)(H,46,54)(H,47,56)(H,48,55)(H,58,59)(H2,49,50,60)
+CH$LINK: PUBCHEM CID:146684826
+CH$LINK: INCHIKEY UVYPXLQJIYVPPA-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 93-939
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.313 min
+MS$FOCUSED_ION: BASE_PEAK 132.958
+MS$FOCUSED_ION: PRECURSOR_M/Z 900.4358
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-03di-0931000000-2bb3db1050c9f8e39542
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  104.0527 C4H10NS+ 1 104.0528 -1.79
+  107.049 C7H7O+ 1 107.0491 -1.09
+  129.1021 C6H13N2O+ 1 129.1022 -1.01
+  164.1068 C10H14NO+ 2 164.107 -1.3
+  172.1148 CH22N3O2S2+ 4 172.1148 0.31
+  173.0922 C7H13N2O3+ 2 173.0921 0.61
+  192.1025 C11H14NO2+ 3 192.1019 3.24
+  210.1238 C10H16N3O2+ 3 210.1237 0.49
+  215.1212 C10H19N2OS+ 4 215.1213 -0.22
+  238.1188 C11H16N3O3+ 4 238.1186 0.78
+  247.1443 H29N3O7S2+ 7 247.1441 0.65
+  265.1366 C7H23NO9+ 7 265.1367 -0.4
+  268.111 C12H18N3O2S+ 6 268.1114 -1.54
+  295.1474 C15H23N2O2S+ 8 295.1475 -0.35
+  304.1319 C12H22N3O4S+ 9 304.1326 -2
+  315.1842 C6H31N6O4S2+ 9 315.1843 -0.28
+  341.1644 C14H29O7S+ 9 341.1629 4.47
+PK$NUM_PEAK: 17
+PK$PEAK: m/z int. rel.int.
+  104.0527 129782.9 110
+  107.049 490242.9 418
+  129.1021 98544.9 84
+  164.1068 1170832 999
+  172.1148 49567.1 42
+  173.0922 36125.1 30
+  192.1025 35073.2 29
+  210.1238 25205.7 21
+  215.1212 122687.5 104
+  238.1188 85021 72
+  247.1443 86943.7 74
+  265.1366 160583.7 137
+  268.111 31155.1 26
+  295.1474 212348.1 181
+  304.1319 206000.7 175
+  315.1842 30599.5 26
+  341.1644 73453.8 62
+//
diff --git a/Eawag/MSBNK-EAWAG-ED073306.txt b/Eawag/MSBNK-EAWAG-ED073306.txt
new file mode 100644
index 0000000000..40a77cc97b
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED073306.txt
@@ -0,0 +1,76 @@
+ACCESSION: MSBNK-EAWAG-ED073306
+RECORD_TITLE: [Met6] Nodulapeptin C; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1016/j.chembiol.2010.01.017
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 733
+CH$NAME: [Met6] Nodulapeptin C
+CH$NAME: 2-(3-(6-(4-hydroxyphenethyl)-7-methyl-3,12-bis(2-(methylthio)ethyl)-2,5,8,11,14-pentaoxo-9-phenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)-3-methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C44H65N7O9S2
+CH$EXACT_MASS: 899.4285187
+CH$SMILES: O=C(N(C(CCC1=CC=C(O)C=C1)C(NC(CCSC)C2=O)=O)C)C(NC(C(CCSC)NC(C(CCCCN2)NC(NC(C(CC)C)C(O)=O)=O)=O)=O)CCC3=CC=CC=C3
+CH$IUPAC: InChI=1S/C44H65N7O9S2/c1-6-28(2)37(43(58)59)50-44(60)49-32-14-10-11-25-45-38(53)33(23-26-61-4)47-41(56)36(22-18-30-15-19-31(52)20-16-30)51(3)42(57)35(21-17-29-12-8-7-9-13-29)48-40(55)34(24-27-62-5)46-39(32)54/h7-9,12-13,15-16,19-20,28,32-37,52H,6,10-11,14,17-18,21-27H2,1-5H3,(H,45,53)(H,46,54)(H,47,56)(H,48,55)(H,58,59)(H2,49,50,60)
+CH$LINK: PUBCHEM CID:146684826
+CH$LINK: INCHIKEY UVYPXLQJIYVPPA-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 93-939
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.313 min
+MS$FOCUSED_ION: BASE_PEAK 132.958
+MS$FOCUSED_ION: PRECURSOR_M/Z 900.4358
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0bt9-0900000000-754b903470f5906f14f6
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  104.0527 C4H10NS+ 1 104.0528 -1.28
+  107.049 C7H7O+ 1 107.0491 -1.16
+  117.0697 C9H9+ 2 117.0699 -1.56
+  129.102 C6H13N2O+ 1 129.1022 -2.19
+  133.0647 C9H9O+ 2 133.0648 -0.91
+  134.0964 C9H12N+ 2 134.0964 -0.53
+  142.0682 H14O8+ 2 142.0683 -0.54
+  155.0813 C7H11N2O2+ 1 155.0815 -1.28
+  164.1068 C10H14NO+ 2 164.107 -1.39
+  172.1146 CH22N3O2S2+ 4 172.1148 -1.29
+  173.0917 C7H13N2O3+ 1 173.0921 -2.12
+  220.1156 C7H24O3S2+ 6 220.1161 -2.3
+  247.1443 H29N3O7S2+ 7 247.1441 0.53
+  256.1295 C11H18N3O4+ 5 256.1292 1.34
+  268.1125 C12H18N3O2S+ 7 268.1114 3.92
+  304.1323 C12H22N3O4S+ 8 304.1326 -0.69
+  341.1643 C14H29O7S+ 9 341.1629 4.2
+PK$NUM_PEAK: 17
+PK$PEAK: m/z int. rel.int.
+  104.0527 301958.9 283
+  107.049 1065116.1 999
+  117.0697 62549.5 58
+  129.102 124734.8 116
+  133.0647 55227.6 51
+  134.0964 101035.1 94
+  142.0682 24208.5 22
+  155.0813 28641.9 26
+  164.1068 959171.4 899
+  172.1146 71254.6 66
+  173.0917 42195.5 39
+  220.1156 112696.3 105
+  247.1443 95760.3 89
+  256.1295 55167.4 51
+  268.1125 39848.3 37
+  304.1323 132183.8 123
+  341.1643 35922.3 33
+//
diff --git a/Eawag/MSBNK-EAWAG-ED073307.txt b/Eawag/MSBNK-EAWAG-ED073307.txt
new file mode 100644
index 0000000000..2dd5faab0c
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED073307.txt
@@ -0,0 +1,64 @@
+ACCESSION: MSBNK-EAWAG-ED073307
+RECORD_TITLE: [Met6] Nodulapeptin C; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1016/j.chembiol.2010.01.017
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 733
+CH$NAME: [Met6] Nodulapeptin C
+CH$NAME: 2-(3-(6-(4-hydroxyphenethyl)-7-methyl-3,12-bis(2-(methylthio)ethyl)-2,5,8,11,14-pentaoxo-9-phenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)-3-methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C44H65N7O9S2
+CH$EXACT_MASS: 899.4285187
+CH$SMILES: O=C(N(C(CCC1=CC=C(O)C=C1)C(NC(CCSC)C2=O)=O)C)C(NC(C(CCSC)NC(C(CCCCN2)NC(NC(C(CC)C)C(O)=O)=O)=O)=O)CCC3=CC=CC=C3
+CH$IUPAC: InChI=1S/C44H65N7O9S2/c1-6-28(2)37(43(58)59)50-44(60)49-32-14-10-11-25-45-38(53)33(23-26-61-4)47-41(56)36(22-18-30-15-19-31(52)20-16-30)51(3)42(57)35(21-17-29-12-8-7-9-13-29)48-40(55)34(24-27-62-5)46-39(32)54/h7-9,12-13,15-16,19-20,28,32-37,52H,6,10-11,14,17-18,21-27H2,1-5H3,(H,45,53)(H,46,54)(H,47,56)(H,48,55)(H,58,59)(H2,49,50,60)
+CH$LINK: PUBCHEM CID:146684826
+CH$LINK: INCHIKEY UVYPXLQJIYVPPA-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 93-939
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.313 min
+MS$FOCUSED_ION: BASE_PEAK 132.958
+MS$FOCUSED_ION: PRECURSOR_M/Z 900.4358
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0a4i-0900000000-e363faeafc2ca3732d50
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  104.0528 C4H10NS+ 1 104.0528 -0.11
+  107.049 C7H7O+ 1 107.0491 -0.95
+  117.0697 C9H9+ 2 117.0699 -1.76
+  127.0861 C6H11N2O+ 1 127.0866 -3.5
+  129.1021 C6H13N2O+ 1 129.1022 -1.25
+  133.0645 C9H9O+ 2 133.0648 -2.4
+  139.0862 C7H11N2O+ 1 139.0866 -2.66
+  164.1068 C10H14NO+ 2 164.107 -0.92
+  193.0971 C10H13N2O2+ 3 193.0972 -0.37
+  238.1189 C11H16N3O3+ 4 238.1186 1.1
+  256.1302 C5H24N2O7S+ 6 256.1299 1.14
+PK$NUM_PEAK: 11
+PK$PEAK: m/z int. rel.int.
+  104.0528 289503.7 211
+  107.049 1365234.4 999
+  117.0697 85480.3 62
+  127.0861 20434.9 14
+  129.1021 97341.8 71
+  133.0645 34771.7 25
+  139.0862 18920 13
+  164.1068 405770.8 296
+  193.0971 25496.1 18
+  238.1189 87635.4 64
+  256.1302 49055.6 35
+//
diff --git a/Eawag/MSBNK-EAWAG-ED073308.txt b/Eawag/MSBNK-EAWAG-ED073308.txt
new file mode 100644
index 0000000000..5942839138
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED073308.txt
@@ -0,0 +1,68 @@
+ACCESSION: MSBNK-EAWAG-ED073308
+RECORD_TITLE: [Met6] Nodulapeptin C; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1016/j.chembiol.2010.01.017
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 733
+CH$NAME: [Met6] Nodulapeptin C
+CH$NAME: 2-(3-(6-(4-hydroxyphenethyl)-7-methyl-3,12-bis(2-(methylthio)ethyl)-2,5,8,11,14-pentaoxo-9-phenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)-3-methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C44H65N7O9S2
+CH$EXACT_MASS: 899.4285187
+CH$SMILES: O=C(N(C(CCC1=CC=C(O)C=C1)C(NC(CCSC)C2=O)=O)C)C(NC(C(CCSC)NC(C(CCCCN2)NC(NC(C(CC)C)C(O)=O)=O)=O)=O)CCC3=CC=CC=C3
+CH$IUPAC: InChI=1S/C44H65N7O9S2/c1-6-28(2)37(43(58)59)50-44(60)49-32-14-10-11-25-45-38(53)33(23-26-61-4)47-41(56)36(22-18-30-15-19-31(52)20-16-30)51(3)42(57)35(21-17-29-12-8-7-9-13-29)48-40(55)34(24-27-62-5)46-39(32)54/h7-9,12-13,15-16,19-20,28,32-37,52H,6,10-11,14,17-18,21-27H2,1-5H3,(H,45,53)(H,46,54)(H,47,56)(H,48,55)(H,58,59)(H2,49,50,60)
+CH$LINK: PUBCHEM CID:146684826
+CH$LINK: INCHIKEY UVYPXLQJIYVPPA-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 93-939
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.313 min
+MS$FOCUSED_ION: BASE_PEAK 132.958
+MS$FOCUSED_ION: PRECURSOR_M/Z 900.4358
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0a4i-0900000000-3eb2e6540cd2db7a8fa2
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  104.0527 C4H10NS+ 1 104.0528 -1.14
+  107.049 C7H7O+ 1 107.0491 -1.31
+  108.0524 C2H8N2O3+ 1 108.0529 -4.81
+  117.0698 C9H9+ 2 117.0699 -0.91
+  127.0865 C6H11N2O+ 1 127.0866 -1.04
+  129.1022 C6H13N2O+ 1 129.1022 -0.54
+  133.0647 C9H9O+ 2 133.0648 -0.34
+  134.0962 C9H12N+ 2 134.0964 -1.9
+  139.0865 C7H11N2O+ 1 139.0866 -0.8
+  155.0818 C7H11N2O2+ 2 155.0815 2.06
+  164.1067 C10H14NO+ 2 164.107 -1.85
+  210.1238 C10H16N3O2+ 3 210.1237 0.49
+  256.1291 C11H18N3O4+ 5 256.1292 -0.45
+PK$NUM_PEAK: 13
+PK$PEAK: m/z int. rel.int.
+  104.0527 193555.7 118
+  107.049 1631436.5 999
+  108.0524 16843.5 10
+  117.0698 92083.2 56
+  127.0865 25096.2 15
+  129.1022 69656.2 42
+  133.0647 21731.4 13
+  134.0962 41778.2 25
+  139.0865 57528.6 35
+  155.0818 27177.6 16
+  164.1067 141262.4 86
+  210.1238 27538.8 16
+  256.1291 31801.8 19
+//
diff --git a/Eawag/MSBNK-EAWAG-ED073309.txt b/Eawag/MSBNK-EAWAG-ED073309.txt
new file mode 100644
index 0000000000..2baf425111
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED073309.txt
@@ -0,0 +1,60 @@
+ACCESSION: MSBNK-EAWAG-ED073309
+RECORD_TITLE: [Met6] Nodulapeptin C; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1016/j.chembiol.2010.01.017
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 733
+CH$NAME: [Met6] Nodulapeptin C
+CH$NAME: 2-(3-(6-(4-hydroxyphenethyl)-7-methyl-3,12-bis(2-(methylthio)ethyl)-2,5,8,11,14-pentaoxo-9-phenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)-3-methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C44H65N7O9S2
+CH$EXACT_MASS: 899.4285187
+CH$SMILES: O=C(N(C(CCC1=CC=C(O)C=C1)C(NC(CCSC)C2=O)=O)C)C(NC(C(CCSC)NC(C(CCCCN2)NC(NC(C(CC)C)C(O)=O)=O)=O)=O)CCC3=CC=CC=C3
+CH$IUPAC: InChI=1S/C44H65N7O9S2/c1-6-28(2)37(43(58)59)50-44(60)49-32-14-10-11-25-45-38(53)33(23-26-61-4)47-41(56)36(22-18-30-15-19-31(52)20-16-30)51(3)42(57)35(21-17-29-12-8-7-9-13-29)48-40(55)34(24-27-62-5)46-39(32)54/h7-9,12-13,15-16,19-20,28,32-37,52H,6,10-11,14,17-18,21-27H2,1-5H3,(H,45,53)(H,46,54)(H,47,56)(H,48,55)(H,58,59)(H2,49,50,60)
+CH$LINK: PUBCHEM CID:146684826
+CH$LINK: INCHIKEY UVYPXLQJIYVPPA-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 93-939
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.313 min
+MS$FOCUSED_ION: BASE_PEAK 132.958
+MS$FOCUSED_ION: PRECURSOR_M/Z 900.4358
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0a4i-0900000000-05bce5f91d31b2c743ef
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  95.0489 C6H7O+ 1 95.0491 -2.18
+  104.0527 C4H10NS+ 1 104.0528 -1.36
+  107.049 C7H7O+ 1 107.0491 -1.59
+  117.0697 C9H9+ 2 117.0699 -1.63
+  129.1017 C6H13N2O+ 1 129.1022 -3.85
+  134.0962 C9H12N+ 2 134.0964 -1.56
+  139.0866 C7H11N2O+ 2 139.0866 0.08
+  164.107 C10H14NO+ 3 164.107 -0.18
+  238.1187 C11H16N3O3+ 3 238.1186 0.39
+PK$NUM_PEAK: 9
+PK$PEAK: m/z int. rel.int.
+  95.0489 45967.5 29
+  104.0527 84433.9 54
+  107.049 1545666.4 999
+  117.0697 67204.6 43
+  129.1017 38850.6 25
+  134.0962 17396.4 11
+  139.0866 52943.6 34
+  164.107 23478.1 15
+  238.1187 20277.6 13
+//
diff --git a/Eawag/MSBNK-EAWAG-ED073351.txt b/Eawag/MSBNK-EAWAG-ED073351.txt
new file mode 100644
index 0000000000..e6f0ab35a6
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED073351.txt
@@ -0,0 +1,48 @@
+ACCESSION: MSBNK-EAWAG-ED073351
+RECORD_TITLE: [Met6] Nodulapeptin C; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1016/j.chembiol.2010.01.017
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 733
+CH$NAME: [Met6] Nodulapeptin C
+CH$NAME: 2-(3-(6-(4-hydroxyphenethyl)-7-methyl-3,12-bis(2-(methylthio)ethyl)-2,5,8,11,14-pentaoxo-9-phenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)-3-methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C44H65N7O9S2
+CH$EXACT_MASS: 899.4285187
+CH$SMILES: O=C(N(C(CCC1=CC=C(O)C=C1)C(NC(CCSC)C2=O)=O)C)C(NC(C(CCSC)NC(C(CCCCN2)NC(NC(C(CC)C)C(O)=O)=O)=O)=O)CCC3=CC=CC=C3
+CH$IUPAC: InChI=1S/C44H65N7O9S2/c1-6-28(2)37(43(58)59)50-44(60)49-32-14-10-11-25-45-38(53)33(23-26-61-4)47-41(56)36(22-18-30-15-19-31(52)20-16-30)51(3)42(57)35(21-17-29-12-8-7-9-13-29)48-40(55)34(24-27-62-5)46-39(32)54/h7-9,12-13,15-16,19-20,28,32-37,52H,6,10-11,14,17-18,21-27H2,1-5H3,(H,45,53)(H,46,54)(H,47,56)(H,48,55)(H,58,59)(H2,49,50,60)
+CH$LINK: PUBCHEM CID:146684826
+CH$LINK: INCHIKEY UVYPXLQJIYVPPA-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 93-937
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.327 min
+MS$FOCUSED_ION: BASE_PEAK 898.4219
+MS$FOCUSED_ION: PRECURSOR_M/Z 898.4212
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-014i-0000000930-10f23652f02c3889bd99
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  767.3266 C38H51N6O7S2- 8 767.3266 -0.03
+  768.3282 C44H44N6O7- 5 768.3277 0.62
+  880.4102 C44H62N7O8S2- 1 880.4107 -0.49
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  767.3266 3262944 999
+  768.3282 237530.7 72
+  880.4102 1471614.5 450
+//
diff --git a/Eawag/MSBNK-EAWAG-ED073352.txt b/Eawag/MSBNK-EAWAG-ED073352.txt
new file mode 100644
index 0000000000..e2e01a4c43
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED073352.txt
@@ -0,0 +1,48 @@
+ACCESSION: MSBNK-EAWAG-ED073352
+RECORD_TITLE: [Met6] Nodulapeptin C; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1016/j.chembiol.2010.01.017
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 733
+CH$NAME: [Met6] Nodulapeptin C
+CH$NAME: 2-(3-(6-(4-hydroxyphenethyl)-7-methyl-3,12-bis(2-(methylthio)ethyl)-2,5,8,11,14-pentaoxo-9-phenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)-3-methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C44H65N7O9S2
+CH$EXACT_MASS: 899.4285187
+CH$SMILES: O=C(N(C(CCC1=CC=C(O)C=C1)C(NC(CCSC)C2=O)=O)C)C(NC(C(CCSC)NC(C(CCCCN2)NC(NC(C(CC)C)C(O)=O)=O)=O)=O)CCC3=CC=CC=C3
+CH$IUPAC: InChI=1S/C44H65N7O9S2/c1-6-28(2)37(43(58)59)50-44(60)49-32-14-10-11-25-45-38(53)33(23-26-61-4)47-41(56)36(22-18-30-15-19-31(52)20-16-30)51(3)42(57)35(21-17-29-12-8-7-9-13-29)48-40(55)34(24-27-62-5)46-39(32)54/h7-9,12-13,15-16,19-20,28,32-37,52H,6,10-11,14,17-18,21-27H2,1-5H3,(H,45,53)(H,46,54)(H,47,56)(H,48,55)(H,58,59)(H2,49,50,60)
+CH$LINK: PUBCHEM CID:146684826
+CH$LINK: INCHIKEY UVYPXLQJIYVPPA-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 93-937
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.327 min
+MS$FOCUSED_ION: BASE_PEAK 898.4219
+MS$FOCUSED_ION: PRECURSOR_M/Z 898.4212
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-014i-0000000920-f4a1688ab03d463c6b1d
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  767.3263 C38H51N6O7S2- 8 767.3266 -0.35
+  768.3292 C44H44N6O7- 5 768.3277 1.89
+  880.4102 C44H62N7O8S2- 1 880.4107 -0.49
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  767.3263 4122874.8 999
+  768.3292 276994.5 67
+  880.4102 1288208.8 312
+//
diff --git a/Eawag/MSBNK-EAWAG-ED073353.txt b/Eawag/MSBNK-EAWAG-ED073353.txt
new file mode 100644
index 0000000000..36f43a4166
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED073353.txt
@@ -0,0 +1,46 @@
+ACCESSION: MSBNK-EAWAG-ED073353
+RECORD_TITLE: [Met6] Nodulapeptin C; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1016/j.chembiol.2010.01.017
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 733
+CH$NAME: [Met6] Nodulapeptin C
+CH$NAME: 2-(3-(6-(4-hydroxyphenethyl)-7-methyl-3,12-bis(2-(methylthio)ethyl)-2,5,8,11,14-pentaoxo-9-phenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)-3-methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C44H65N7O9S2
+CH$EXACT_MASS: 899.4285187
+CH$SMILES: O=C(N(C(CCC1=CC=C(O)C=C1)C(NC(CCSC)C2=O)=O)C)C(NC(C(CCSC)NC(C(CCCCN2)NC(NC(C(CC)C)C(O)=O)=O)=O)=O)CCC3=CC=CC=C3
+CH$IUPAC: InChI=1S/C44H65N7O9S2/c1-6-28(2)37(43(58)59)50-44(60)49-32-14-10-11-25-45-38(53)33(23-26-61-4)47-41(56)36(22-18-30-15-19-31(52)20-16-30)51(3)42(57)35(21-17-29-12-8-7-9-13-29)48-40(55)34(24-27-62-5)46-39(32)54/h7-9,12-13,15-16,19-20,28,32-37,52H,6,10-11,14,17-18,21-27H2,1-5H3,(H,45,53)(H,46,54)(H,47,56)(H,48,55)(H,58,59)(H2,49,50,60)
+CH$LINK: PUBCHEM CID:146684826
+CH$LINK: INCHIKEY UVYPXLQJIYVPPA-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 93-937
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.327 min
+MS$FOCUSED_ION: BASE_PEAK 898.4219
+MS$FOCUSED_ION: PRECURSOR_M/Z 898.4212
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-001i-0000000290-970873c1adb42a41d1ce
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  768.328 C44H44N6O7- 5 768.3277 0.38
+  880.4101 C44H62N7O8S2- 1 880.4107 -0.7
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  768.328 247559.4 223
+  880.4101 1108564.2 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED073354.txt b/Eawag/MSBNK-EAWAG-ED073354.txt
new file mode 100644
index 0000000000..ad63f77f52
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED073354.txt
@@ -0,0 +1,52 @@
+ACCESSION: MSBNK-EAWAG-ED073354
+RECORD_TITLE: [Met6] Nodulapeptin C; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1016/j.chembiol.2010.01.017
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 733
+CH$NAME: [Met6] Nodulapeptin C
+CH$NAME: 2-(3-(6-(4-hydroxyphenethyl)-7-methyl-3,12-bis(2-(methylthio)ethyl)-2,5,8,11,14-pentaoxo-9-phenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)-3-methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C44H65N7O9S2
+CH$EXACT_MASS: 899.4285187
+CH$SMILES: O=C(N(C(CCC1=CC=C(O)C=C1)C(NC(CCSC)C2=O)=O)C)C(NC(C(CCSC)NC(C(CCCCN2)NC(NC(C(CC)C)C(O)=O)=O)=O)=O)CCC3=CC=CC=C3
+CH$IUPAC: InChI=1S/C44H65N7O9S2/c1-6-28(2)37(43(58)59)50-44(60)49-32-14-10-11-25-45-38(53)33(23-26-61-4)47-41(56)36(22-18-30-15-19-31(52)20-16-30)51(3)42(57)35(21-17-29-12-8-7-9-13-29)48-40(55)34(24-27-62-5)46-39(32)54/h7-9,12-13,15-16,19-20,28,32-37,52H,6,10-11,14,17-18,21-27H2,1-5H3,(H,45,53)(H,46,54)(H,47,56)(H,48,55)(H,58,59)(H2,49,50,60)
+CH$LINK: PUBCHEM CID:146684826
+CH$LINK: INCHIKEY UVYPXLQJIYVPPA-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 93-937
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.327 min
+MS$FOCUSED_ION: BASE_PEAK 898.4219
+MS$FOCUSED_ION: PRECURSOR_M/Z 898.4212
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-014i-0000400920-91328141eff99f5e61d3
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  324.1386 C15H22N3O3S- 8 324.1387 -0.53
+  421.2271 C21H33N4O3S- 11 421.2279 -1.94
+  492.2279 C29H28N6O2- 11 492.2279 -0.14
+  767.3263 C38H51N6O7S2- 8 767.3266 -0.43
+  880.4104 C44H62N7O8S2- 1 880.4107 -0.35
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  324.1386 30785.6 16
+  421.2271 227282 118
+  492.2279 624863.5 326
+  767.3263 1913248.8 999
+  880.4104 465764.2 243
+//
diff --git a/Eawag/MSBNK-EAWAG-ED073355.txt b/Eawag/MSBNK-EAWAG-ED073355.txt
new file mode 100644
index 0000000000..3ef1057044
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED073355.txt
@@ -0,0 +1,58 @@
+ACCESSION: MSBNK-EAWAG-ED073355
+RECORD_TITLE: [Met6] Nodulapeptin C; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1016/j.chembiol.2010.01.017
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 733
+CH$NAME: [Met6] Nodulapeptin C
+CH$NAME: 2-(3-(6-(4-hydroxyphenethyl)-7-methyl-3,12-bis(2-(methylthio)ethyl)-2,5,8,11,14-pentaoxo-9-phenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)-3-methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C44H65N7O9S2
+CH$EXACT_MASS: 899.4285187
+CH$SMILES: O=C(N(C(CCC1=CC=C(O)C=C1)C(NC(CCSC)C2=O)=O)C)C(NC(C(CCSC)NC(C(CCCCN2)NC(NC(C(CC)C)C(O)=O)=O)=O)=O)CCC3=CC=CC=C3
+CH$IUPAC: InChI=1S/C44H65N7O9S2/c1-6-28(2)37(43(58)59)50-44(60)49-32-14-10-11-25-45-38(53)33(23-26-61-4)47-41(56)36(22-18-30-15-19-31(52)20-16-30)51(3)42(57)35(21-17-29-12-8-7-9-13-29)48-40(55)34(24-27-62-5)46-39(32)54/h7-9,12-13,15-16,19-20,28,32-37,52H,6,10-11,14,17-18,21-27H2,1-5H3,(H,45,53)(H,46,54)(H,47,56)(H,48,55)(H,58,59)(H2,49,50,60)
+CH$LINK: PUBCHEM CID:146684826
+CH$LINK: INCHIKEY UVYPXLQJIYVPPA-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 93-937
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.327 min
+MS$FOCUSED_ION: BASE_PEAK 898.4219
+MS$FOCUSED_ION: PRECURSOR_M/Z 898.4212
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-00di-0200900000-332affe17ad2075d69f6
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  136.0404 C7H6NO2- 2 136.0404 0.07
+  139.0513 C6H7N2O2- 1 139.0513 -0.24
+  155.0821 C7H11N2O2- 1 155.0826 -3.12
+  173.0384 C4H7N5OS- 2 173.0377 3.98
+  209.116 C8H13N6O- 5 209.1156 1.59
+  421.2271 C21H33N4O3S- 11 421.2279 -1.87
+  492.2277 C29H28N6O2- 12 492.2279 -0.45
+  767.3273 C38H51N6O7S2- 8 767.3266 0.84
+PK$NUM_PEAK: 8
+PK$PEAK: m/z int. rel.int.
+  136.0404 25969.9 36
+  139.0513 20780.6 29
+  155.0821 47924 68
+  173.0384 127873.1 181
+  209.116 17108.2 24
+  421.2271 702169.8 999
+  492.2277 160992.8 229
+  767.3273 59392.9 84
+//
diff --git a/Eawag/MSBNK-EAWAG-ED073356.txt b/Eawag/MSBNK-EAWAG-ED073356.txt
new file mode 100644
index 0000000000..0cbcd52241
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED073356.txt
@@ -0,0 +1,70 @@
+ACCESSION: MSBNK-EAWAG-ED073356
+RECORD_TITLE: [Met6] Nodulapeptin C; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1016/j.chembiol.2010.01.017
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 733
+CH$NAME: [Met6] Nodulapeptin C
+CH$NAME: 2-(3-(6-(4-hydroxyphenethyl)-7-methyl-3,12-bis(2-(methylthio)ethyl)-2,5,8,11,14-pentaoxo-9-phenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)-3-methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C44H65N7O9S2
+CH$EXACT_MASS: 899.4285187
+CH$SMILES: O=C(N(C(CCC1=CC=C(O)C=C1)C(NC(CCSC)C2=O)=O)C)C(NC(C(CCSC)NC(C(CCCCN2)NC(NC(C(CC)C)C(O)=O)=O)=O)=O)CCC3=CC=CC=C3
+CH$IUPAC: InChI=1S/C44H65N7O9S2/c1-6-28(2)37(43(58)59)50-44(60)49-32-14-10-11-25-45-38(53)33(23-26-61-4)47-41(56)36(22-18-30-15-19-31(52)20-16-30)51(3)42(57)35(21-17-29-12-8-7-9-13-29)48-40(55)34(24-27-62-5)46-39(32)54/h7-9,12-13,15-16,19-20,28,32-37,52H,6,10-11,14,17-18,21-27H2,1-5H3,(H,45,53)(H,46,54)(H,47,56)(H,48,55)(H,58,59)(H2,49,50,60)
+CH$LINK: PUBCHEM CID:146684826
+CH$LINK: INCHIKEY UVYPXLQJIYVPPA-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 93-937
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.327 min
+MS$FOCUSED_ION: BASE_PEAK 898.4219
+MS$FOCUSED_ION: PRECURSOR_M/Z 898.4212
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-00di-0920300000-ab82874285b92b20575b
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  99.02 C3H3N2O2- 1 99.02 -0.18
+  113.0357 C4H5N2O2- 1 113.0357 0.38
+  119.0501 C8H7O- 2 119.0502 -0.78
+  125.0357 C5H5N2O2- 1 125.0357 0.26
+  127.0514 C5H7N2O2- 1 127.0513 0.6
+  130.087 C6H12NO2- 1 130.0874 -2.61
+  136.0407 C7H6NO2- 3 136.0404 1.98
+  139.051 C6H7N2O2- 1 139.0513 -2
+  155.0822 C7H11N2O2- 1 155.0826 -2.43
+  173.0385 C4H7N5OS- 2 173.0377 4.69
+  210.1244 C2H20N5O4S- 3 210.1241 1.33
+  245.1292 C6H21N4O4S- 6 245.1289 1.25
+  247.1087 C13H15N2O3- 4 247.1088 -0.6
+  421.2273 C21H33N4O3S- 11 421.2279 -1.29
+PK$NUM_PEAK: 14
+PK$PEAK: m/z int. rel.int.
+  99.02 25280.4 137
+  113.0357 25297.2 137
+  119.0501 69066.5 374
+  125.0357 28211.5 153
+  127.0514 33643.2 182
+  130.087 38907.1 211
+  136.0407 24049.6 130
+  139.051 54169.3 293
+  155.0822 54356.9 295
+  173.0385 110205.7 598
+  210.1244 27149.8 147
+  245.1292 24043 130
+  247.1087 59931.3 325
+  421.2273 184068 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED073501.txt b/Eawag/MSBNK-EAWAG-ED073501.txt
new file mode 100644
index 0000000000..d37a287c92
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED073501.txt
@@ -0,0 +1,52 @@
+ACCESSION: MSBNK-EAWAG-ED073501
+RECORD_TITLE: Nodulapeptin 883a; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md11010001
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 735
+CH$NAME: Nodulapeptin 883a
+CH$NAME: 3-methyl-2-(3-(7-methyl-3,12-bis(2-(methylthio)ethyl)-2,5,8,11,14-pentaoxo-6,9-diphenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)pentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C44H65N7O8S2
+CH$EXACT_MASS: 883.433604
+CH$SMILES: O=C(N(C(CCC1=CC=CC=C1)C(NC(CCSC)C2=O)=O)C)C(NC(C(CCSC)NC(C(CCCCN2)NC(NC(C(CC)C)C(O)=O)=O)=O)=O)CCC3=CC=CC=C3
+CH$IUPAC: InChI=1S/C44H65N7O8S2/c1-6-29(2)37(43(57)58)50-44(59)49-32-19-13-14-26-45-38(52)33(24-27-60-4)47-41(55)36(23-21-31-17-11-8-12-18-31)51(3)42(56)35(22-20-30-15-9-7-10-16-30)48-40(54)34(25-28-61-5)46-39(32)53/h7-12,15-18,29,32-37H,6,13-14,19-28H2,1-5H3,(H,45,52)(H,46,53)(H,47,55)(H,48,54)(H,57,58)(H2,49,50,59)
+CH$LINK: PUBCHEM CID:146684895
+CH$LINK: INCHIKEY XVMDQBMZIUJUKI-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 92-923
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 12.822 min
+MS$FOCUSED_ION: BASE_PEAK 132.958
+MS$FOCUSED_ION: PRECURSOR_M/Z 884.4409
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-001i-0000000090-c07994cc6eb6ff497b79
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  727.367 C37H55N6O5S2+ 11 727.367 0.06
+  753.3447 C40H55N3O7S2+ 6 753.3476 -3.84
+  856.4453 C43H66N7O7S2+ 1 856.446 -0.74
+  866.4289 C44H64N7O7S2+ 1 866.4303 -1.68
+  884.4399 C44H66N7O8S2+ 1 884.4409 -1.09
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  727.367 52697.6 47
+  753.3447 42932.5 38
+  856.4453 30928.7 27
+  866.4289 24639.3 22
+  884.4399 1111527.1 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED073502.txt b/Eawag/MSBNK-EAWAG-ED073502.txt
new file mode 100644
index 0000000000..ec9b0dda5e
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED073502.txt
@@ -0,0 +1,50 @@
+ACCESSION: MSBNK-EAWAG-ED073502
+RECORD_TITLE: Nodulapeptin 883a; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md11010001
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 735
+CH$NAME: Nodulapeptin 883a
+CH$NAME: 3-methyl-2-(3-(7-methyl-3,12-bis(2-(methylthio)ethyl)-2,5,8,11,14-pentaoxo-6,9-diphenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)pentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C44H65N7O8S2
+CH$EXACT_MASS: 883.433604
+CH$SMILES: O=C(N(C(CCC1=CC=CC=C1)C(NC(CCSC)C2=O)=O)C)C(NC(C(CCSC)NC(C(CCCCN2)NC(NC(C(CC)C)C(O)=O)=O)=O)=O)CCC3=CC=CC=C3
+CH$IUPAC: InChI=1S/C44H65N7O8S2/c1-6-29(2)37(43(57)58)50-44(59)49-32-19-13-14-26-45-38(52)33(24-27-60-4)47-41(55)36(23-21-31-17-11-8-12-18-31)51(3)42(56)35(22-20-30-15-9-7-10-16-30)48-40(54)34(25-28-61-5)46-39(32)53/h7-12,15-18,29,32-37H,6,13-14,19-28H2,1-5H3,(H,45,52)(H,46,53)(H,47,55)(H,48,54)(H,57,58)(H2,49,50,59)
+CH$LINK: PUBCHEM CID:146684895
+CH$LINK: INCHIKEY XVMDQBMZIUJUKI-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 92-923
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 12.822 min
+MS$FOCUSED_ION: BASE_PEAK 132.958
+MS$FOCUSED_ION: PRECURSOR_M/Z 884.4409
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-001i-0000100290-67c48f1028378f16308c
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  307.1465 C8H27N4O4S2+ 6 307.1468 -1.06
+  468.23 C24H32N6O2S+ 10 468.2302 -0.37
+  727.367 C37H55N6O5S2+ 11 727.367 0.06
+  884.4403 C44H66N7O8S2+ 1 884.4409 -0.67
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  307.1465 21356.3 63
+  468.23 42471.5 127
+  727.367 108332.2 324
+  884.4403 333593.9 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED073504.txt b/Eawag/MSBNK-EAWAG-ED073504.txt
new file mode 100644
index 0000000000..1b58358c24
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED073504.txt
@@ -0,0 +1,48 @@
+ACCESSION: MSBNK-EAWAG-ED073504
+RECORD_TITLE: Nodulapeptin 883a; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md11010001
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 735
+CH$NAME: Nodulapeptin 883a
+CH$NAME: 3-methyl-2-(3-(7-methyl-3,12-bis(2-(methylthio)ethyl)-2,5,8,11,14-pentaoxo-6,9-diphenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)pentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C44H65N7O8S2
+CH$EXACT_MASS: 883.433604
+CH$SMILES: O=C(N(C(CCC1=CC=CC=C1)C(NC(CCSC)C2=O)=O)C)C(NC(C(CCSC)NC(C(CCCCN2)NC(NC(C(CC)C)C(O)=O)=O)=O)=O)CCC3=CC=CC=C3
+CH$IUPAC: InChI=1S/C44H65N7O8S2/c1-6-29(2)37(43(57)58)50-44(59)49-32-19-13-14-26-45-38(52)33(24-27-60-4)47-41(55)36(23-21-31-17-11-8-12-18-31)51(3)42(56)35(22-20-30-15-9-7-10-16-30)48-40(54)34(25-28-61-5)46-39(32)53/h7-12,15-18,29,32-37H,6,13-14,19-28H2,1-5H3,(H,45,52)(H,46,53)(H,47,55)(H,48,54)(H,57,58)(H2,49,50,59)
+CH$LINK: PUBCHEM CID:146684895
+CH$LINK: INCHIKEY XVMDQBMZIUJUKI-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 92-923
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 12.822 min
+MS$FOCUSED_ION: BASE_PEAK 132.958
+MS$FOCUSED_ION: PRECURSOR_M/Z 884.4409
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0002-0914000000-37a5a154a26520addc90
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  148.1119 C10H14N+ 2 148.1121 -1.47
+  215.122 C4H25NO4S2+ 3 215.122 0.05
+  307.1476 C16H23N2O2S+ 7 307.1475 0.3
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  148.1119 122969.9 999
+  215.122 15189.6 123
+  307.1476 59765.3 485
+//
diff --git a/Eawag/MSBNK-EAWAG-ED073505.txt b/Eawag/MSBNK-EAWAG-ED073505.txt
new file mode 100644
index 0000000000..a0bb83084b
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED073505.txt
@@ -0,0 +1,54 @@
+ACCESSION: MSBNK-EAWAG-ED073505
+RECORD_TITLE: Nodulapeptin 883a; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md11010001
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 735
+CH$NAME: Nodulapeptin 883a
+CH$NAME: 3-methyl-2-(3-(7-methyl-3,12-bis(2-(methylthio)ethyl)-2,5,8,11,14-pentaoxo-6,9-diphenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)pentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C44H65N7O8S2
+CH$EXACT_MASS: 883.433604
+CH$SMILES: O=C(N(C(CCC1=CC=CC=C1)C(NC(CCSC)C2=O)=O)C)C(NC(C(CCSC)NC(C(CCCCN2)NC(NC(C(CC)C)C(O)=O)=O)=O)=O)CCC3=CC=CC=C3
+CH$IUPAC: InChI=1S/C44H65N7O8S2/c1-6-29(2)37(43(57)58)50-44(59)49-32-19-13-14-26-45-38(52)33(24-27-60-4)47-41(55)36(23-21-31-17-11-8-12-18-31)51(3)42(56)35(22-20-30-15-9-7-10-16-30)48-40(54)34(25-28-61-5)46-39(32)53/h7-12,15-18,29,32-37H,6,13-14,19-28H2,1-5H3,(H,45,52)(H,46,53)(H,47,55)(H,48,54)(H,57,58)(H2,49,50,59)
+CH$LINK: PUBCHEM CID:146684895
+CH$LINK: INCHIKEY XVMDQBMZIUJUKI-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 92-923
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 12.822 min
+MS$FOCUSED_ION: BASE_PEAK 132.958
+MS$FOCUSED_ION: PRECURSOR_M/Z 884.4409
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0002-0901000000-6739a27662712061e8ce
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  104.0531 C4H10NS+ 1 104.0528 2.02
+  117.07 C9H9+ 1 117.0699 1.24
+  148.1118 C10H14N+ 2 148.1121 -1.57
+  265.1363 C12H19N5S+ 6 265.1356 2.72
+  304.1327 C12H22N3O4S+ 10 304.1326 0.51
+  307.1474 C16H23N2O2S+ 7 307.1475 -0.1
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  104.0531 30553.3 107
+  117.07 32914.6 115
+  148.1118 285175.4 999
+  265.1363 15149 53
+  304.1327 40365 141
+  307.1474 18552.3 64
+//
diff --git a/Eawag/MSBNK-EAWAG-ED073551.txt b/Eawag/MSBNK-EAWAG-ED073551.txt
new file mode 100644
index 0000000000..7372019c7a
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED073551.txt
@@ -0,0 +1,48 @@
+ACCESSION: MSBNK-EAWAG-ED073551
+RECORD_TITLE: Nodulapeptin 883a; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md11010001
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 735
+CH$NAME: Nodulapeptin 883a
+CH$NAME: 3-methyl-2-(3-(7-methyl-3,12-bis(2-(methylthio)ethyl)-2,5,8,11,14-pentaoxo-6,9-diphenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)pentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C44H65N7O8S2
+CH$EXACT_MASS: 883.433604
+CH$SMILES: O=C(N(C(CCC1=CC=CC=C1)C(NC(CCSC)C2=O)=O)C)C(NC(C(CCSC)NC(C(CCCCN2)NC(NC(C(CC)C)C(O)=O)=O)=O)=O)CCC3=CC=CC=C3
+CH$IUPAC: InChI=1S/C44H65N7O8S2/c1-6-29(2)37(43(57)58)50-44(59)49-32-19-13-14-26-45-38(52)33(24-27-60-4)47-41(55)36(23-21-31-17-11-8-12-18-31)51(3)42(56)35(22-20-30-15-9-7-10-16-30)48-40(54)34(25-28-61-5)46-39(32)53/h7-12,15-18,29,32-37H,6,13-14,19-28H2,1-5H3,(H,45,52)(H,46,53)(H,47,55)(H,48,54)(H,57,58)(H2,49,50,59)
+CH$LINK: PUBCHEM CID:146684895
+CH$LINK: INCHIKEY XVMDQBMZIUJUKI-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 92-921
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 12.837 min
+MS$FOCUSED_ION: BASE_PEAK 291.1959
+MS$FOCUSED_ION: PRECURSOR_M/Z 882.4263
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0udi-0000000940-6c464748f3d380a23383
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  751.3318 C38H51N6O6S2- 8 751.3317 0.17
+  752.3336 C41H48N6O6S- 4 752.3362 -3.39
+  864.416 C44H62N7O7S2- 1 864.4158 0.25
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  751.3318 544016.7 999
+  752.3336 38865.6 71
+  864.416 260058.6 477
+//
diff --git a/Eawag/MSBNK-EAWAG-ED073552.txt b/Eawag/MSBNK-EAWAG-ED073552.txt
new file mode 100644
index 0000000000..21440562a0
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED073552.txt
@@ -0,0 +1,48 @@
+ACCESSION: MSBNK-EAWAG-ED073552
+RECORD_TITLE: Nodulapeptin 883a; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md11010001
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 735
+CH$NAME: Nodulapeptin 883a
+CH$NAME: 3-methyl-2-(3-(7-methyl-3,12-bis(2-(methylthio)ethyl)-2,5,8,11,14-pentaoxo-6,9-diphenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)pentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C44H65N7O8S2
+CH$EXACT_MASS: 883.433604
+CH$SMILES: O=C(N(C(CCC1=CC=CC=C1)C(NC(CCSC)C2=O)=O)C)C(NC(C(CCSC)NC(C(CCCCN2)NC(NC(C(CC)C)C(O)=O)=O)=O)=O)CCC3=CC=CC=C3
+CH$IUPAC: InChI=1S/C44H65N7O8S2/c1-6-29(2)37(43(57)58)50-44(59)49-32-19-13-14-26-45-38(52)33(24-27-60-4)47-41(55)36(23-21-31-17-11-8-12-18-31)51(3)42(56)35(22-20-30-15-9-7-10-16-30)48-40(54)34(25-28-61-5)46-39(32)53/h7-12,15-18,29,32-37H,6,13-14,19-28H2,1-5H3,(H,45,52)(H,46,53)(H,47,55)(H,48,54)(H,57,58)(H2,49,50,59)
+CH$LINK: PUBCHEM CID:146684895
+CH$LINK: INCHIKEY XVMDQBMZIUJUKI-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 92-921
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 12.837 min
+MS$FOCUSED_ION: BASE_PEAK 291.1959
+MS$FOCUSED_ION: PRECURSOR_M/Z 882.4263
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0udi-0000000920-1a1a25bbbb81cd4a0283
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  751.3316 C38H51N6O6S2- 8 751.3317 -0.15
+  752.3365 C41H48N6O6S- 5 752.3362 0.5
+  864.4155 C44H62N7O7S2- 1 864.4158 -0.32
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  751.3316 594680.9 999
+  752.3365 43578.2 73
+  864.4155 205522.3 345
+//
diff --git a/Eawag/MSBNK-EAWAG-ED073553.txt b/Eawag/MSBNK-EAWAG-ED073553.txt
new file mode 100644
index 0000000000..c5c996c7db
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED073553.txt
@@ -0,0 +1,46 @@
+ACCESSION: MSBNK-EAWAG-ED073553
+RECORD_TITLE: Nodulapeptin 883a; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md11010001
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 735
+CH$NAME: Nodulapeptin 883a
+CH$NAME: 3-methyl-2-(3-(7-methyl-3,12-bis(2-(methylthio)ethyl)-2,5,8,11,14-pentaoxo-6,9-diphenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)pentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C44H65N7O8S2
+CH$EXACT_MASS: 883.433604
+CH$SMILES: O=C(N(C(CCC1=CC=CC=C1)C(NC(CCSC)C2=O)=O)C)C(NC(C(CCSC)NC(C(CCCCN2)NC(NC(C(CC)C)C(O)=O)=O)=O)=O)CCC3=CC=CC=C3
+CH$IUPAC: InChI=1S/C44H65N7O8S2/c1-6-29(2)37(43(57)58)50-44(59)49-32-19-13-14-26-45-38(52)33(24-27-60-4)47-41(55)36(23-21-31-17-11-8-12-18-31)51(3)42(56)35(22-20-30-15-9-7-10-16-30)48-40(54)34(25-28-61-5)46-39(32)53/h7-12,15-18,29,32-37H,6,13-14,19-28H2,1-5H3,(H,45,52)(H,46,53)(H,47,55)(H,48,54)(H,57,58)(H2,49,50,59)
+CH$LINK: PUBCHEM CID:146684895
+CH$LINK: INCHIKEY XVMDQBMZIUJUKI-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 92-921
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 12.837 min
+MS$FOCUSED_ION: BASE_PEAK 291.1959
+MS$FOCUSED_ION: PRECURSOR_M/Z 882.4263
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-03di-0000000290-1ae00c2925f5e373d696
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  752.3346 C41H48N6O6S- 5 752.3362 -2.09
+  864.4144 C44H62N7O7S2- 1 864.4158 -1.59
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  752.3346 42803.2 291
+  864.4144 146779.1 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED073554.txt b/Eawag/MSBNK-EAWAG-ED073554.txt
new file mode 100644
index 0000000000..b9281af18b
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED073554.txt
@@ -0,0 +1,46 @@
+ACCESSION: MSBNK-EAWAG-ED073554
+RECORD_TITLE: Nodulapeptin 883a; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md11010001
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 735
+CH$NAME: Nodulapeptin 883a
+CH$NAME: 3-methyl-2-(3-(7-methyl-3,12-bis(2-(methylthio)ethyl)-2,5,8,11,14-pentaoxo-6,9-diphenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)pentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C44H65N7O8S2
+CH$EXACT_MASS: 883.433604
+CH$SMILES: O=C(N(C(CCC1=CC=CC=C1)C(NC(CCSC)C2=O)=O)C)C(NC(C(CCSC)NC(C(CCCCN2)NC(NC(C(CC)C)C(O)=O)=O)=O)=O)CCC3=CC=CC=C3
+CH$IUPAC: InChI=1S/C44H65N7O8S2/c1-6-29(2)37(43(57)58)50-44(59)49-32-19-13-14-26-45-38(52)33(24-27-60-4)47-41(55)36(23-21-31-17-11-8-12-18-31)51(3)42(56)35(22-20-30-15-9-7-10-16-30)48-40(54)34(25-28-61-5)46-39(32)53/h7-12,15-18,29,32-37H,6,13-14,19-28H2,1-5H3,(H,45,52)(H,46,53)(H,47,55)(H,48,54)(H,57,58)(H2,49,50,59)
+CH$LINK: PUBCHEM CID:146684895
+CH$LINK: INCHIKEY XVMDQBMZIUJUKI-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 92-921
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 12.837 min
+MS$FOCUSED_ION: BASE_PEAK 291.1959
+MS$FOCUSED_ION: PRECURSOR_M/Z 882.4263
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0udi-0000300900-6c98b7ea2d41f3f3eb40
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  476.2341 C31H30N3O2- 11 476.2344 -0.5
+  751.3319 C38H51N6O6S2- 8 751.3317 0.26
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  476.2341 108834 365
+  751.3319 297781.3 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED074801.txt b/Eawag/MSBNK-EAWAG-ED074801.txt
new file mode 100644
index 0000000000..b849c6da64
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED074801.txt
@@ -0,0 +1,58 @@
+ACCESSION: MSBNK-EAWAG-ED074801
+RECORD_TITLE: Nodulapeptin B; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1016/j.chembiol.2010.01.017; https://www.jstage.jst.go.jp/article/massspec/48/1/48_1_56/_pdf
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 748
+CH$NAME: Nodulapeptin B
+CH$NAME: (((3S,6S,9S,12S,15R)-3-(acetoxymethyl)-6-(4-hydroxyphenethyl)-7-methyl-12-(2-(methylsulfinyl)ethyl)-2,5,8,11,14-pentaoxo-9-phenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)carbamoyl)-D-isoleucine
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C44H63N7O12S
+CH$EXACT_MASS: 913.4255415
+CH$SMILES: CC[C@H]([C@@H](NC(N[C@@H]1CCCCNC([C@H](COC(C)=O)NC([C@H](CCC2=CC=C(O)C=C2)N(C)C([C@H](CCC3=CC=CC=C3)NC([C@H](CCS(C)=O)NC1=O)=O)=O)=O)=O)=O)C(O)=O)C
+CH$IUPAC: InChI=1S/C44H63N7O12S/c1-6-27(2)37(43(59)60)50-44(61)49-32-14-10-11-24-45-38(54)35(26-63-28(3)52)48-41(57)36(22-18-30-15-19-31(53)20-16-30)51(4)42(58)34(21-17-29-12-8-7-9-13-29)47-40(56)33(46-39(32)55)23-25-64(5)62/h7-9,12-13,15-16,19-20,27,32-37,53H,6,10-11,14,17-18,21-26H2,1-5H3,(H,45,54)(H,46,55)(H,47,56)(H,48,57)(H,59,60)(H2,49,50,61)/t27-,32-,33+,34+,35+,36+,37-,64?/m1/s1
+CH$LINK: PUBCHEM CID:15342341
+CH$LINK: INCHIKEY ZTBSRBSUQIFLBN-MTFODHARSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 95-954
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.985 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 914.4328
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-03di-0000000029-5e691052c143a3eefad8
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  723.3194 C38H49N3O9S+ 10 723.3184 1.41
+  757.3585 C44H53O11+ 9 757.3582 0.34
+  783.3373 C44H45N7O7+ 7 783.3375 -0.22
+  854.4116 C42H60N7O10S+ 2 854.4117 -0.05
+  868.4276 C43H62N7O10S+ 1 868.4273 0.35
+  886.4364 C43H64N7O11S+ 1 886.4379 -1.72
+  896.4214 C44H62N7O11S+ 1 896.4223 -0.92
+  914.432 C44H64N7O12S+ 1 914.4328 -0.89
+PK$NUM_PEAK: 8
+PK$PEAK: m/z int. rel.int.
+  723.3194 63936.9 12
+  757.3585 216616.2 41
+  783.3373 269434.4 52
+  854.4116 798146.6 154
+  868.4276 114817 22
+  886.4364 131312.8 25
+  896.4214 310376.1 60
+  914.432 5160203 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED074802.txt b/Eawag/MSBNK-EAWAG-ED074802.txt
new file mode 100644
index 0000000000..547ef9e5c9
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED074802.txt
@@ -0,0 +1,66 @@
+ACCESSION: MSBNK-EAWAG-ED074802
+RECORD_TITLE: Nodulapeptin B; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1016/j.chembiol.2010.01.017; https://www.jstage.jst.go.jp/article/massspec/48/1/48_1_56/_pdf
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 748
+CH$NAME: Nodulapeptin B
+CH$NAME: (((3S,6S,9S,12S,15R)-3-(acetoxymethyl)-6-(4-hydroxyphenethyl)-7-methyl-12-(2-(methylsulfinyl)ethyl)-2,5,8,11,14-pentaoxo-9-phenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)carbamoyl)-D-isoleucine
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C44H63N7O12S
+CH$EXACT_MASS: 913.4255415
+CH$SMILES: CC[C@H]([C@@H](NC(N[C@@H]1CCCCNC([C@H](COC(C)=O)NC([C@H](CCC2=CC=C(O)C=C2)N(C)C([C@H](CCC3=CC=CC=C3)NC([C@H](CCS(C)=O)NC1=O)=O)=O)=O)=O)=O)C(O)=O)C
+CH$IUPAC: InChI=1S/C44H63N7O12S/c1-6-27(2)37(43(59)60)50-44(61)49-32-14-10-11-24-45-38(54)35(26-63-28(3)52)48-41(57)36(22-18-30-15-19-31(53)20-16-30)51(4)42(58)34(21-17-29-12-8-7-9-13-29)47-40(56)33(46-39(32)55)23-25-64(5)62/h7-9,12-13,15-16,19-20,27,32-37,53H,6,10-11,14,17-18,21-26H2,1-5H3,(H,45,54)(H,46,55)(H,47,56)(H,48,57)(H,59,60)(H2,49,50,61)/t27-,32-,33+,34+,35+,36+,37-,64?/m1/s1
+CH$LINK: PUBCHEM CID:15342341
+CH$LINK: INCHIKEY ZTBSRBSUQIFLBN-MTFODHARSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 95-954
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.985 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 914.4328
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-03di-0000000379-e251baab18448132d754
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  321.145 C2H23N7O11+ 7 321.145 0.07
+  353.186 C21H25N2O3+ 6 353.186 0.2
+  723.319 C38H49N3O9S+ 11 723.3184 0.82
+  757.3589 C44H53O11+ 9 757.3582 0.9
+  790.4131 C41H56N7O9+ 6 790.4134 -0.34
+  801.3468 C44H47N7O8+ 5 801.3481 -1.58
+  850.4347 C43H60N7O11+ 2 850.4345 0.14
+  854.4113 C42H60N7O10S+ 2 854.4117 -0.48
+  868.4268 C43H62N7O10S+ 1 868.4273 -0.63
+  886.4366 C43H64N7O11S+ 1 886.4379 -1.44
+  896.4214 C44H62N7O11S+ 1 896.4223 -0.92
+  914.4327 C44H64N7O12S+ 1 914.4328 -0.09
+PK$NUM_PEAK: 12
+PK$PEAK: m/z int. rel.int.
+  321.145 28615.8 14
+  353.186 68755.1 34
+  723.319 263916.6 130
+  757.3589 395055.8 195
+  790.4131 35561.3 17
+  801.3468 121583.9 60
+  850.4347 114332.7 56
+  854.4113 659276 326
+  868.4268 181240.2 89
+  886.4366 364817.8 180
+  896.4214 198341.9 98
+  914.4327 2016632.6 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED074803.txt b/Eawag/MSBNK-EAWAG-ED074803.txt
new file mode 100644
index 0000000000..7c568d5b71
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED074803.txt
@@ -0,0 +1,74 @@
+ACCESSION: MSBNK-EAWAG-ED074803
+RECORD_TITLE: Nodulapeptin B; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1016/j.chembiol.2010.01.017; https://www.jstage.jst.go.jp/article/massspec/48/1/48_1_56/_pdf
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 748
+CH$NAME: Nodulapeptin B
+CH$NAME: (((3S,6S,9S,12S,15R)-3-(acetoxymethyl)-6-(4-hydroxyphenethyl)-7-methyl-12-(2-(methylsulfinyl)ethyl)-2,5,8,11,14-pentaoxo-9-phenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)carbamoyl)-D-isoleucine
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C44H63N7O12S
+CH$EXACT_MASS: 913.4255415
+CH$SMILES: CC[C@H]([C@@H](NC(N[C@@H]1CCCCNC([C@H](COC(C)=O)NC([C@H](CCC2=CC=C(O)C=C2)N(C)C([C@H](CCC3=CC=CC=C3)NC([C@H](CCS(C)=O)NC1=O)=O)=O)=O)=O)=O)C(O)=O)C
+CH$IUPAC: InChI=1S/C44H63N7O12S/c1-6-27(2)37(43(59)60)50-44(61)49-32-14-10-11-24-45-38(54)35(26-63-28(3)52)48-41(57)36(22-18-30-15-19-31(53)20-16-30)51(4)42(58)34(21-17-29-12-8-7-9-13-29)47-40(56)33(46-39(32)55)23-25-64(5)62/h7-9,12-13,15-16,19-20,27,32-37,53H,6,10-11,14,17-18,21-26H2,1-5H3,(H,45,54)(H,46,55)(H,47,56)(H,48,57)(H,59,60)(H2,49,50,61)/t27-,32-,33+,34+,35+,36+,37-,64?/m1/s1
+CH$LINK: PUBCHEM CID:15342341
+CH$LINK: INCHIKEY ZTBSRBSUQIFLBN-MTFODHARSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 95-954
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.985 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 914.4328
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0bu0-0202100922-c9a6da772d5a161d7400
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  153.1021 C8H13N2O+ 2 153.1022 -0.75
+  164.107 C10H14NO+ 3 164.107 -0.18
+  192.1018 C11H14NO2+ 4 192.1019 -0.41
+  195.1128 C10H15N2O2+ 3 195.1128 -0.07
+  309.1262 C21H15N3+ 7 309.126 0.4
+  353.1859 C21H25N2O3+ 6 353.186 -0.15
+  493.229 C25H35NO9+ 14 493.2306 -3.28
+  578.3203 C30H46N2O9+ 13 578.3198 0.97
+  697.3386 C35H49N6O7S+ 12 697.3378 1.12
+  741.3264 C38H51N3O10S+ 8 741.329 -3.4
+  755.3429 C44H51O11+ 9 755.3426 0.45
+  757.359 C44H53O11+ 9 757.3582 0.98
+  783.3368 C44H45N7O7+ 5 783.3375 -0.84
+  790.4137 C41H56N7O9+ 5 790.4134 0.44
+  886.4392 C43H64N7O11S+ 1 886.4379 1.52
+  914.4337 C44H64N7O12S+ 1 914.4328 0.91
+PK$NUM_PEAK: 16
+PK$PEAK: m/z int. rel.int.
+  153.1021 26187.1 98
+  164.107 137653.4 519
+  192.1018 16219.8 61
+  195.1128 21201.2 80
+  309.1262 43630.9 164
+  353.1859 130307.1 492
+  493.229 153042.7 577
+  578.3203 82089.1 309
+  697.3386 65884 248
+  741.3264 33407.4 126
+  755.3429 214963.8 811
+  757.359 206104.6 778
+  783.3368 264555.6 999
+  790.4137 28394.3 107
+  886.4392 202151 763
+  914.4337 222815.9 841
+//
diff --git a/Eawag/MSBNK-EAWAG-ED074804.txt b/Eawag/MSBNK-EAWAG-ED074804.txt
new file mode 100644
index 0000000000..d9128e8c3d
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED074804.txt
@@ -0,0 +1,72 @@
+ACCESSION: MSBNK-EAWAG-ED074804
+RECORD_TITLE: Nodulapeptin B; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1016/j.chembiol.2010.01.017; https://www.jstage.jst.go.jp/article/massspec/48/1/48_1_56/_pdf
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 748
+CH$NAME: Nodulapeptin B
+CH$NAME: (((3S,6S,9S,12S,15R)-3-(acetoxymethyl)-6-(4-hydroxyphenethyl)-7-methyl-12-(2-(methylsulfinyl)ethyl)-2,5,8,11,14-pentaoxo-9-phenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)carbamoyl)-D-isoleucine
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C44H63N7O12S
+CH$EXACT_MASS: 913.4255415
+CH$SMILES: CC[C@H]([C@@H](NC(N[C@@H]1CCCCNC([C@H](COC(C)=O)NC([C@H](CCC2=CC=C(O)C=C2)N(C)C([C@H](CCC3=CC=CC=C3)NC([C@H](CCS(C)=O)NC1=O)=O)=O)=O)=O)=O)C(O)=O)C
+CH$IUPAC: InChI=1S/C44H63N7O12S/c1-6-27(2)37(43(59)60)50-44(61)49-32-14-10-11-24-45-38(54)35(26-63-28(3)52)48-41(57)36(22-18-30-15-19-31(53)20-16-30)51(4)42(58)34(21-17-29-12-8-7-9-13-29)47-40(56)33(46-39(32)55)23-25-64(5)62/h7-9,12-13,15-16,19-20,27,32-37,53H,6,10-11,14,17-18,21-26H2,1-5H3,(H,45,54)(H,46,55)(H,47,56)(H,48,57)(H,59,60)(H2,49,50,61)/t27-,32-,33+,34+,35+,36+,37-,64?/m1/s1
+CH$LINK: PUBCHEM CID:15342341
+CH$LINK: INCHIKEY ZTBSRBSUQIFLBN-MTFODHARSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 95-954
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.985 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 914.4328
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-08fu-0911200200-fa0b8f93e110a12ea5da
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  107.0491 C7H7O+ 1 107.0491 -0.66
+  129.1023 C6H13N2O+ 2 129.1022 0.41
+  133.0647 C9H9O+ 2 133.0648 -0.68
+  153.1024 C8H13N2O+ 2 153.1022 0.94
+  164.1069 C10H14NO+ 3 164.107 -0.74
+  195.1127 C10H15N2O2+ 3 195.1128 -0.47
+  233.1291 C7H23NO5S+ 2 233.1291 -0.08
+  261.1247 C2H21N4O10+ 4 261.1252 -1.98
+  281.1319 C14H21N2O2S+ 6 281.1318 0.1
+  309.1257 C21H15N3+ 6 309.126 -0.98
+  399.2017 C27H29NS+ 8 399.2015 0.4
+  493.2293 C25H35NO9+ 12 493.2306 -2.72
+  558.2549 C39H32N3O+ 13 558.254 1.65
+  689.3483 C37H49N6O5S+ 10 689.348 0.54
+  755.3427 C44H51O11+ 9 755.3426 0.21
+PK$NUM_PEAK: 15
+PK$PEAK: m/z int. rel.int.
+  107.0491 98810.4 250
+  129.1023 12921.8 32
+  133.0647 19579.2 49
+  153.1024 59357.8 150
+  164.1069 393417.1 999
+  195.1127 54383.8 138
+  233.1291 35278.8 89
+  261.1247 16222.4 41
+  281.1319 75955.4 192
+  309.1257 50610.5 128
+  399.2017 40758.1 103
+  493.2293 203792.6 517
+  558.2549 42430.9 107
+  689.3483 32455.1 82
+  755.3427 150457.2 382
+//
diff --git a/Eawag/MSBNK-EAWAG-ED074805.txt b/Eawag/MSBNK-EAWAG-ED074805.txt
new file mode 100644
index 0000000000..34eee0e7da
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED074805.txt
@@ -0,0 +1,82 @@
+ACCESSION: MSBNK-EAWAG-ED074805
+RECORD_TITLE: Nodulapeptin B; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1016/j.chembiol.2010.01.017; https://www.jstage.jst.go.jp/article/massspec/48/1/48_1_56/_pdf
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 748
+CH$NAME: Nodulapeptin B
+CH$NAME: (((3S,6S,9S,12S,15R)-3-(acetoxymethyl)-6-(4-hydroxyphenethyl)-7-methyl-12-(2-(methylsulfinyl)ethyl)-2,5,8,11,14-pentaoxo-9-phenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)carbamoyl)-D-isoleucine
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C44H63N7O12S
+CH$EXACT_MASS: 913.4255415
+CH$SMILES: CC[C@H]([C@@H](NC(N[C@@H]1CCCCNC([C@H](COC(C)=O)NC([C@H](CCC2=CC=C(O)C=C2)N(C)C([C@H](CCC3=CC=CC=C3)NC([C@H](CCS(C)=O)NC1=O)=O)=O)=O)=O)=O)C(O)=O)C
+CH$IUPAC: InChI=1S/C44H63N7O12S/c1-6-27(2)37(43(59)60)50-44(61)49-32-14-10-11-24-45-38(54)35(26-63-28(3)52)48-41(57)36(22-18-30-15-19-31(53)20-16-30)51(4)42(58)34(21-17-29-12-8-7-9-13-29)47-40(56)33(46-39(32)55)23-25-64(5)62/h7-9,12-13,15-16,19-20,27,32-37,53H,6,10-11,14,17-18,21-26H2,1-5H3,(H,45,54)(H,46,55)(H,47,56)(H,48,57)(H,59,60)(H2,49,50,61)/t27-,32-,33+,34+,35+,36+,37-,64?/m1/s1
+CH$LINK: PUBCHEM CID:15342341
+CH$LINK: INCHIKEY ZTBSRBSUQIFLBN-MTFODHARSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 95-954
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.985 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 914.4328
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-03di-0920200000-6c5671d16e65282727d1
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  107.0492 C7H7O+ 1 107.0491 0.26
+  129.1021 C6H13N2O+ 1 129.1022 -1.01
+  133.0652 C9H9O+ 1 133.0648 2.76
+  134.0962 C9H12N+ 2 134.0964 -1.9
+  153.1023 C8H13N2O+ 3 153.1022 0.35
+  164.107 C10H14NO+ 3 164.107 0.19
+  195.1128 C10H15N2O2+ 3 195.1128 0
+  213.1228 C2H21N4O5S+ 3 213.1227 0.57
+  217.1334 C13H17N2O+ 4 217.1335 -0.58
+  230.1181 H18N6O8+ 4 230.1181 0.11
+  238.1183 C3H20N5O5S+ 4 238.118 1.27
+  281.1306 C7H23NO10+ 4 281.1316 -3.61
+  284.1243 C12H18N3O5+ 6 284.1241 0.83
+  371.2081 C14H33N3O6S+ 9 371.2085 -0.89
+  387.2249 C19H33NO7+ 7 387.2252 -0.63
+  418.2116 C23H26N6O2+ 8 418.2112 1.08
+  431.1592 C22H25NO8+ 9 431.1575 4.01
+  436.2233 C25H30N3O4+ 9 436.2231 0.46
+  440.229 C23H30N5O4+ 9 440.2292 -0.55
+  493.2293 C25H35NO9+ 12 493.2306 -2.66
+PK$NUM_PEAK: 20
+PK$PEAK: m/z int. rel.int.
+  107.0492 372882.8 498
+  129.1021 37009.1 49
+  133.0652 46125.7 61
+  134.0962 37702.2 50
+  153.1023 120862.6 161
+  164.107 747499.2 999
+  195.1128 156740.9 209
+  213.1228 89079 119
+  217.1334 58290.2 77
+  230.1181 44285.2 59
+  238.1183 40518.8 54
+  281.1306 77850.6 104
+  284.1243 142110.8 189
+  371.2081 60975.8 81
+  387.2249 26352.9 35
+  418.2116 93821 125
+  431.1592 43112 57
+  436.2233 68720.8 91
+  440.229 68972.9 92
+  493.2293 93060.7 124
+//
diff --git a/Eawag/MSBNK-EAWAG-ED074806.txt b/Eawag/MSBNK-EAWAG-ED074806.txt
new file mode 100644
index 0000000000..a035398301
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED074806.txt
@@ -0,0 +1,68 @@
+ACCESSION: MSBNK-EAWAG-ED074806
+RECORD_TITLE: Nodulapeptin B; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1016/j.chembiol.2010.01.017; https://www.jstage.jst.go.jp/article/massspec/48/1/48_1_56/_pdf
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 748
+CH$NAME: Nodulapeptin B
+CH$NAME: (((3S,6S,9S,12S,15R)-3-(acetoxymethyl)-6-(4-hydroxyphenethyl)-7-methyl-12-(2-(methylsulfinyl)ethyl)-2,5,8,11,14-pentaoxo-9-phenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)carbamoyl)-D-isoleucine
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C44H63N7O12S
+CH$EXACT_MASS: 913.4255415
+CH$SMILES: CC[C@H]([C@@H](NC(N[C@@H]1CCCCNC([C@H](COC(C)=O)NC([C@H](CCC2=CC=C(O)C=C2)N(C)C([C@H](CCC3=CC=CC=C3)NC([C@H](CCS(C)=O)NC1=O)=O)=O)=O)=O)=O)C(O)=O)C
+CH$IUPAC: InChI=1S/C44H63N7O12S/c1-6-27(2)37(43(59)60)50-44(61)49-32-14-10-11-24-45-38(54)35(26-63-28(3)52)48-41(57)36(22-18-30-15-19-31(53)20-16-30)51(4)42(58)34(21-17-29-12-8-7-9-13-29)47-40(56)33(46-39(32)55)23-25-64(5)62/h7-9,12-13,15-16,19-20,27,32-37,53H,6,10-11,14,17-18,21-26H2,1-5H3,(H,45,54)(H,46,55)(H,47,56)(H,48,57)(H,59,60)(H2,49,50,61)/t27-,32-,33+,34+,35+,36+,37-,64?/m1/s1
+CH$LINK: PUBCHEM CID:15342341
+CH$LINK: INCHIKEY ZTBSRBSUQIFLBN-MTFODHARSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 95-954
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.985 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 914.4328
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0bt9-0900000000-cc3ce4e8389989502abb
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  107.0491 C7H7O+ 1 107.0491 -0.09
+  117.0695 C9H9+ 2 117.0699 -3.26
+  129.1025 C6H13N2O+ 2 129.1022 2.18
+  133.0648 C9H9O+ 2 133.0648 -0.11
+  134.0966 C9H12N+ 2 134.0964 1.06
+  153.1022 C8H13N2O+ 3 153.1022 0.05
+  164.107 C10H14NO+ 3 164.107 -0.18
+  171.1126 C8H15N2O2+ 2 171.1128 -1.44
+  181.0974 C9H13N2O2+ 3 181.0972 1.31
+  195.1129 C10H15N2O2+ 3 195.1128 0.63
+  217.1337 C13H17N2O+ 4 217.1335 0.68
+  256.1298 C5H24N2O7S+ 4 256.1299 -0.17
+  307.1401 C14H19N4O4+ 7 307.1401 0.13
+PK$NUM_PEAK: 13
+PK$PEAK: m/z int. rel.int.
+  107.0491 680899.2 999
+  117.0695 53996.7 79
+  129.1025 53288.7 78
+  133.0648 34024.4 49
+  134.0966 33512.9 49
+  153.1022 157317.1 230
+  164.107 510695.3 749
+  171.1126 109784 161
+  181.0974 54177.4 79
+  195.1129 181940 266
+  217.1337 63317.2 92
+  256.1298 24862.4 36
+  307.1401 42613.1 62
+//
diff --git a/Eawag/MSBNK-EAWAG-ED074807.txt b/Eawag/MSBNK-EAWAG-ED074807.txt
new file mode 100644
index 0000000000..190a4a8a6b
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED074807.txt
@@ -0,0 +1,68 @@
+ACCESSION: MSBNK-EAWAG-ED074807
+RECORD_TITLE: Nodulapeptin B; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1016/j.chembiol.2010.01.017; https://www.jstage.jst.go.jp/article/massspec/48/1/48_1_56/_pdf
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 748
+CH$NAME: Nodulapeptin B
+CH$NAME: (((3S,6S,9S,12S,15R)-3-(acetoxymethyl)-6-(4-hydroxyphenethyl)-7-methyl-12-(2-(methylsulfinyl)ethyl)-2,5,8,11,14-pentaoxo-9-phenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)carbamoyl)-D-isoleucine
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C44H63N7O12S
+CH$EXACT_MASS: 913.4255415
+CH$SMILES: CC[C@H]([C@@H](NC(N[C@@H]1CCCCNC([C@H](COC(C)=O)NC([C@H](CCC2=CC=C(O)C=C2)N(C)C([C@H](CCC3=CC=CC=C3)NC([C@H](CCS(C)=O)NC1=O)=O)=O)=O)=O)=O)C(O)=O)C
+CH$IUPAC: InChI=1S/C44H63N7O12S/c1-6-27(2)37(43(59)60)50-44(61)49-32-14-10-11-24-45-38(54)35(26-63-28(3)52)48-41(57)36(22-18-30-15-19-31(53)20-16-30)51(4)42(58)34(21-17-29-12-8-7-9-13-29)47-40(56)33(46-39(32)55)23-25-64(5)62/h7-9,12-13,15-16,19-20,27,32-37,53H,6,10-11,14,17-18,21-26H2,1-5H3,(H,45,54)(H,46,55)(H,47,56)(H,48,57)(H,59,60)(H2,49,50,61)/t27-,32-,33+,34+,35+,36+,37-,64?/m1/s1
+CH$LINK: PUBCHEM CID:15342341
+CH$LINK: INCHIKEY ZTBSRBSUQIFLBN-MTFODHARSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 95-954
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.985 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 914.4328
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0a4i-0900000000-6f11a3a2a45df3c7821c
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  107.0491 C7H7O+ 1 107.0491 -0.09
+  117.07 C9H9+ 1 117.0699 0.65
+  129.1025 C6H13N2O+ 2 129.1022 1.94
+  134.0967 C9H12N+ 2 134.0964 1.74
+  136.0756 C8H10NO+ 2 136.0757 -0.75
+  153.1023 C8H13N2O+ 3 153.1022 0.15
+  155.0818 C7H11N2O2+ 2 155.0815 1.77
+  164.107 C10H14NO+ 3 164.107 -0.09
+  171.1128 C8H15N2O2+ 3 171.1128 0.17
+  181.0974 C9H13N2O2+ 3 181.0972 1.14
+  195.1127 C10H15N2O2+ 3 195.1128 -0.39
+  210.1245 C4H22N2O5S+ 3 210.1244 0.32
+  284.1244 C12H18N3O5+ 5 284.1241 0.94
+PK$NUM_PEAK: 13
+PK$PEAK: m/z int. rel.int.
+  107.0491 940616.1 999
+  117.07 85056.5 90
+  129.1025 28413.6 30
+  134.0967 30296.3 32
+  136.0756 33083.3 35
+  153.1023 146294.8 155
+  155.0818 36598.4 38
+  164.107 224801.1 238
+  171.1128 98821.7 104
+  181.0974 42656.2 45
+  195.1127 179865.5 191
+  210.1245 36916.2 39
+  284.1244 120019.8 127
+//
diff --git a/Eawag/MSBNK-EAWAG-ED074808.txt b/Eawag/MSBNK-EAWAG-ED074808.txt
new file mode 100644
index 0000000000..c30a8c6242
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED074808.txt
@@ -0,0 +1,68 @@
+ACCESSION: MSBNK-EAWAG-ED074808
+RECORD_TITLE: Nodulapeptin B; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1016/j.chembiol.2010.01.017; https://www.jstage.jst.go.jp/article/massspec/48/1/48_1_56/_pdf
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 748
+CH$NAME: Nodulapeptin B
+CH$NAME: (((3S,6S,9S,12S,15R)-3-(acetoxymethyl)-6-(4-hydroxyphenethyl)-7-methyl-12-(2-(methylsulfinyl)ethyl)-2,5,8,11,14-pentaoxo-9-phenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)carbamoyl)-D-isoleucine
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C44H63N7O12S
+CH$EXACT_MASS: 913.4255415
+CH$SMILES: CC[C@H]([C@@H](NC(N[C@@H]1CCCCNC([C@H](COC(C)=O)NC([C@H](CCC2=CC=C(O)C=C2)N(C)C([C@H](CCC3=CC=CC=C3)NC([C@H](CCS(C)=O)NC1=O)=O)=O)=O)=O)=O)C(O)=O)C
+CH$IUPAC: InChI=1S/C44H63N7O12S/c1-6-27(2)37(43(59)60)50-44(61)49-32-14-10-11-24-45-38(54)35(26-63-28(3)52)48-41(57)36(22-18-30-15-19-31(53)20-16-30)51(4)42(58)34(21-17-29-12-8-7-9-13-29)47-40(56)33(46-39(32)55)23-25-64(5)62/h7-9,12-13,15-16,19-20,27,32-37,53H,6,10-11,14,17-18,21-26H2,1-5H3,(H,45,54)(H,46,55)(H,47,56)(H,48,57)(H,59,60)(H2,49,50,61)/t27-,32-,33+,34+,35+,36+,37-,64?/m1/s1
+CH$LINK: PUBCHEM CID:15342341
+CH$LINK: INCHIKEY ZTBSRBSUQIFLBN-MTFODHARSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 95-954
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.985 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 914.4328
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0a4i-0900000000-8f591a2ff65a006821a4
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  102.0549 C4H8NO2+ 1 102.055 -0.59
+  107.0491 C7H7O+ 1 107.0491 -0.59
+  110.0602 C6H8NO+ 2 110.06 1.45
+  117.0696 C9H9+ 2 117.0699 -1.95
+  129.102 C6H13N2O+ 1 129.1022 -1.84
+  134.0965 C9H12N+ 2 134.0964 0.38
+  136.0755 C8H10NO+ 2 136.0757 -1.42
+  153.1023 C8H13N2O+ 3 153.1022 0.25
+  164.107 C10H14NO+ 3 164.107 0.01
+  171.1126 C8H15N2O2+ 3 171.1128 -0.9
+  181.0971 C9H13N2O2+ 3 181.0972 -0.21
+  195.1127 C10H15N2O2+ 3 195.1128 -0.47
+  238.1187 C11H16N3O3+ 3 238.1186 0.39
+PK$NUM_PEAK: 13
+PK$PEAK: m/z int. rel.int.
+  102.0549 20852.1 18
+  107.0491 1115171.6 999
+  110.0602 17761.9 15
+  117.0696 87516.9 78
+  129.102 20667 18
+  134.0965 21182.9 18
+  136.0755 22565.6 20
+  153.1023 97491.1 87
+  164.107 76468.9 68
+  171.1126 63410.7 56
+  181.0971 26896.5 24
+  195.1127 110734.3 99
+  238.1187 46057.3 41
+//
diff --git a/Eawag/MSBNK-EAWAG-ED074809.txt b/Eawag/MSBNK-EAWAG-ED074809.txt
new file mode 100644
index 0000000000..e2681cd79f
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED074809.txt
@@ -0,0 +1,56 @@
+ACCESSION: MSBNK-EAWAG-ED074809
+RECORD_TITLE: Nodulapeptin B; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1016/j.chembiol.2010.01.017; https://www.jstage.jst.go.jp/article/massspec/48/1/48_1_56/_pdf
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 748
+CH$NAME: Nodulapeptin B
+CH$NAME: (((3S,6S,9S,12S,15R)-3-(acetoxymethyl)-6-(4-hydroxyphenethyl)-7-methyl-12-(2-(methylsulfinyl)ethyl)-2,5,8,11,14-pentaoxo-9-phenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)carbamoyl)-D-isoleucine
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C44H63N7O12S
+CH$EXACT_MASS: 913.4255415
+CH$SMILES: CC[C@H]([C@@H](NC(N[C@@H]1CCCCNC([C@H](COC(C)=O)NC([C@H](CCC2=CC=C(O)C=C2)N(C)C([C@H](CCC3=CC=CC=C3)NC([C@H](CCS(C)=O)NC1=O)=O)=O)=O)=O)=O)C(O)=O)C
+CH$IUPAC: InChI=1S/C44H63N7O12S/c1-6-27(2)37(43(59)60)50-44(61)49-32-14-10-11-24-45-38(54)35(26-63-28(3)52)48-41(57)36(22-18-30-15-19-31(53)20-16-30)51(4)42(58)34(21-17-29-12-8-7-9-13-29)47-40(56)33(46-39(32)55)23-25-64(5)62/h7-9,12-13,15-16,19-20,27,32-37,53H,6,10-11,14,17-18,21-26H2,1-5H3,(H,45,54)(H,46,55)(H,47,56)(H,48,57)(H,59,60)(H2,49,50,61)/t27-,32-,33+,34+,35+,36+,37-,64?/m1/s1
+CH$LINK: PUBCHEM CID:15342341
+CH$LINK: INCHIKEY ZTBSRBSUQIFLBN-MTFODHARSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 95-954
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.985 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 914.4328
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0a4i-0900000000-f82abbce732d9d45f167
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  96.0806 C6H10N+ 1 96.0808 -1.95
+  107.0491 C7H7O+ 1 107.0491 -0.74
+  110.0599 C6H8NO+ 1 110.06 -0.91
+  117.0697 C9H9+ 2 117.0699 -1.37
+  136.0762 C8H10NO+ 2 136.0757 3.96
+  153.1017 C8H13N2O+ 2 153.1022 -3.64
+  195.1126 C10H15N2O2+ 3 195.1128 -0.93
+PK$NUM_PEAK: 7
+PK$PEAK: m/z int. rel.int.
+  96.0806 22775.4 21
+  107.0491 1073181.2 999
+  110.0599 24890.3 23
+  117.0697 66965 62
+  136.0762 18079.2 16
+  153.1017 61847.6 57
+  195.1126 36158.2 33
+//
diff --git a/Eawag/MSBNK-EAWAG-ED074851.txt b/Eawag/MSBNK-EAWAG-ED074851.txt
new file mode 100644
index 0000000000..001b53084e
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED074851.txt
@@ -0,0 +1,54 @@
+ACCESSION: MSBNK-EAWAG-ED074851
+RECORD_TITLE: Nodulapeptin B; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1016/j.chembiol.2010.01.017; https://www.jstage.jst.go.jp/article/massspec/48/1/48_1_56/_pdf
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 748
+CH$NAME: Nodulapeptin B
+CH$NAME: (((3S,6S,9S,12S,15R)-3-(acetoxymethyl)-6-(4-hydroxyphenethyl)-7-methyl-12-(2-(methylsulfinyl)ethyl)-2,5,8,11,14-pentaoxo-9-phenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)carbamoyl)-D-isoleucine
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C44H63N7O12S
+CH$EXACT_MASS: 913.4255415
+CH$SMILES: CC[C@H]([C@@H](NC(N[C@@H]1CCCCNC([C@H](COC(C)=O)NC([C@H](CCC2=CC=C(O)C=C2)N(C)C([C@H](CCC3=CC=CC=C3)NC([C@H](CCS(C)=O)NC1=O)=O)=O)=O)=O)=O)C(O)=O)C
+CH$IUPAC: InChI=1S/C44H63N7O12S/c1-6-27(2)37(43(59)60)50-44(61)49-32-14-10-11-24-45-38(54)35(26-63-28(3)52)48-41(57)36(22-18-30-15-19-31(53)20-16-30)51(4)42(58)34(21-17-29-12-8-7-9-13-29)47-40(56)33(46-39(32)55)23-25-64(5)62/h7-9,12-13,15-16,19-20,27,32-37,53H,6,10-11,14,17-18,21-26H2,1-5H3,(H,45,54)(H,46,55)(H,47,56)(H,48,57)(H,59,60)(H2,49,50,61)/t27-,32-,33+,34+,35+,36+,37-,64?/m1/s1
+CH$LINK: PUBCHEM CID:15342341
+CH$LINK: INCHIKEY ZTBSRBSUQIFLBN-MTFODHARSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 95-952
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.972 min
+MS$FOCUSED_ION: BASE_PEAK 912.4189
+MS$FOCUSED_ION: PRECURSOR_M/Z 912.4183
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-001i-0000000923-f3d9c44611bb26ef6429
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  721.3022 C36H45N6O8S- 11 721.3025 -0.4
+  781.3236 C38H49N6O10S- 7 781.3236 -0.04
+  782.326 C44H50N2O9S- 4 782.3243 2.21
+  834.3872 C42H56N7O9S- 3 834.3866 0.78
+  894.4073 C44H60N7O11S- 1 894.4077 -0.49
+  912.4179 C44H62N7O12S- 1 912.4183 -0.42
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  721.3022 396241.2 117
+  781.3236 3378989.2 999
+  782.326 191663.2 56
+  834.3872 36744.4 10
+  894.4073 1252809 370
+  912.4179 1431099.2 423
+//
diff --git a/Eawag/MSBNK-EAWAG-ED074852.txt b/Eawag/MSBNK-EAWAG-ED074852.txt
new file mode 100644
index 0000000000..120d1c12d0
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED074852.txt
@@ -0,0 +1,50 @@
+ACCESSION: MSBNK-EAWAG-ED074852
+RECORD_TITLE: Nodulapeptin B; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1016/j.chembiol.2010.01.017; https://www.jstage.jst.go.jp/article/massspec/48/1/48_1_56/_pdf
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 748
+CH$NAME: Nodulapeptin B
+CH$NAME: (((3S,6S,9S,12S,15R)-3-(acetoxymethyl)-6-(4-hydroxyphenethyl)-7-methyl-12-(2-(methylsulfinyl)ethyl)-2,5,8,11,14-pentaoxo-9-phenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)carbamoyl)-D-isoleucine
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C44H63N7O12S
+CH$EXACT_MASS: 913.4255415
+CH$SMILES: CC[C@H]([C@@H](NC(N[C@@H]1CCCCNC([C@H](COC(C)=O)NC([C@H](CCC2=CC=C(O)C=C2)N(C)C([C@H](CCC3=CC=CC=C3)NC([C@H](CCS(C)=O)NC1=O)=O)=O)=O)=O)=O)C(O)=O)C
+CH$IUPAC: InChI=1S/C44H63N7O12S/c1-6-27(2)37(43(59)60)50-44(61)49-32-14-10-11-24-45-38(54)35(26-63-28(3)52)48-41(57)36(22-18-30-15-19-31(53)20-16-30)51(4)42(58)34(21-17-29-12-8-7-9-13-29)47-40(56)33(46-39(32)55)23-25-64(5)62/h7-9,12-13,15-16,19-20,27,32-37,53H,6,10-11,14,17-18,21-26H2,1-5H3,(H,45,54)(H,46,55)(H,47,56)(H,48,57)(H,59,60)(H2,49,50,61)/t27-,32-,33+,34+,35+,36+,37-,64?/m1/s1
+CH$LINK: PUBCHEM CID:15342341
+CH$LINK: INCHIKEY ZTBSRBSUQIFLBN-MTFODHARSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 95-952
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.972 min
+MS$FOCUSED_ION: BASE_PEAK 912.4189
+MS$FOCUSED_ION: PRECURSOR_M/Z 912.4183
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-00di-0000000950-0201d5b3364536db802d
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  721.3024 C36H45N6O8S- 11 721.3025 -0.15
+  834.3848 C39H58N6O12S- 3 834.3839 1.14
+  894.4073 C44H60N7O11S- 1 894.4077 -0.49
+  912.4149 C44H62N7O12S- 1 912.4183 -3.69
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  721.3024 1757826.4 999
+  834.3848 230278.2 130
+  894.4073 850321.7 483
+  912.4149 43491.7 24
+//
diff --git a/Eawag/MSBNK-EAWAG-ED074853.txt b/Eawag/MSBNK-EAWAG-ED074853.txt
new file mode 100644
index 0000000000..4e271103bf
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED074853.txt
@@ -0,0 +1,60 @@
+ACCESSION: MSBNK-EAWAG-ED074853
+RECORD_TITLE: Nodulapeptin B; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1016/j.chembiol.2010.01.017; https://www.jstage.jst.go.jp/article/massspec/48/1/48_1_56/_pdf
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 748
+CH$NAME: Nodulapeptin B
+CH$NAME: (((3S,6S,9S,12S,15R)-3-(acetoxymethyl)-6-(4-hydroxyphenethyl)-7-methyl-12-(2-(methylsulfinyl)ethyl)-2,5,8,11,14-pentaoxo-9-phenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)carbamoyl)-D-isoleucine
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C44H63N7O12S
+CH$EXACT_MASS: 913.4255415
+CH$SMILES: CC[C@H]([C@@H](NC(N[C@@H]1CCCCNC([C@H](COC(C)=O)NC([C@H](CCC2=CC=C(O)C=C2)N(C)C([C@H](CCC3=CC=CC=C3)NC([C@H](CCS(C)=O)NC1=O)=O)=O)=O)=O)=O)C(O)=O)C
+CH$IUPAC: InChI=1S/C44H63N7O12S/c1-6-27(2)37(43(59)60)50-44(61)49-32-14-10-11-24-45-38(54)35(26-63-28(3)52)48-41(57)36(22-18-30-15-19-31(53)20-16-30)51(4)42(58)34(21-17-29-12-8-7-9-13-29)47-40(56)33(46-39(32)55)23-25-64(5)62/h7-9,12-13,15-16,19-20,27,32-37,53H,6,10-11,14,17-18,21-26H2,1-5H3,(H,45,54)(H,46,55)(H,47,56)(H,48,57)(H,59,60)(H2,49,50,61)/t27-,32-,33+,34+,35+,36+,37-,64?/m1/s1
+CH$LINK: PUBCHEM CID:15342341
+CH$LINK: INCHIKEY ZTBSRBSUQIFLBN-MTFODHARSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 95-952
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.972 min
+MS$FOCUSED_ION: BASE_PEAK 912.4189
+MS$FOCUSED_ION: PRECURSOR_M/Z 912.4183
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-00di-0010000920-c2a6a7737f2281956dad
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  262.1184 C11H14N6O2- 4 262.1184 0.27
+  263.1259 C11H15N6O2- 4 263.1262 -1.05
+  267.1086 C11H15N4O4- 6 267.1099 -4.92
+  657.3039 C35H41N6O7- 13 657.3042 -0.51
+  721.3022 C36H45N6O8S- 11 721.3025 -0.4
+  722.3056 C38H46N2O12- 8 722.3056 0.01
+  781.3236 C38H49N6O10S- 7 781.3236 -0.04
+  834.3856 C42H56N7O9S- 3 834.3866 -1.13
+  894.4059 C44H60N7O11S- 1 894.4077 -2.06
+PK$NUM_PEAK: 9
+PK$PEAK: m/z int. rel.int.
+  262.1184 212112.5 97
+  263.1259 48942 22
+  267.1086 61585.4 28
+  657.3039 248052 114
+  721.3022 2170711.8 999
+  722.3056 119689.5 55
+  781.3236 480648.9 221
+  834.3856 393621.9 181
+  894.4059 234672.8 108
+//
diff --git a/Eawag/MSBNK-EAWAG-ED074854.txt b/Eawag/MSBNK-EAWAG-ED074854.txt
new file mode 100644
index 0000000000..6bbfa5085f
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED074854.txt
@@ -0,0 +1,58 @@
+ACCESSION: MSBNK-EAWAG-ED074854
+RECORD_TITLE: Nodulapeptin B; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1016/j.chembiol.2010.01.017; https://www.jstage.jst.go.jp/article/massspec/48/1/48_1_56/_pdf
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 748
+CH$NAME: Nodulapeptin B
+CH$NAME: (((3S,6S,9S,12S,15R)-3-(acetoxymethyl)-6-(4-hydroxyphenethyl)-7-methyl-12-(2-(methylsulfinyl)ethyl)-2,5,8,11,14-pentaoxo-9-phenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)carbamoyl)-D-isoleucine
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C44H63N7O12S
+CH$EXACT_MASS: 913.4255415
+CH$SMILES: CC[C@H]([C@@H](NC(N[C@@H]1CCCCNC([C@H](COC(C)=O)NC([C@H](CCC2=CC=C(O)C=C2)N(C)C([C@H](CCC3=CC=CC=C3)NC([C@H](CCS(C)=O)NC1=O)=O)=O)=O)=O)=O)C(O)=O)C
+CH$IUPAC: InChI=1S/C44H63N7O12S/c1-6-27(2)37(43(59)60)50-44(61)49-32-14-10-11-24-45-38(54)35(26-63-28(3)52)48-41(57)36(22-18-30-15-19-31(53)20-16-30)51(4)42(58)34(21-17-29-12-8-7-9-13-29)47-40(56)33(46-39(32)55)23-25-64(5)62/h7-9,12-13,15-16,19-20,27,32-37,53H,6,10-11,14,17-18,21-26H2,1-5H3,(H,45,54)(H,46,55)(H,47,56)(H,48,57)(H,59,60)(H2,49,50,61)/t27-,32-,33+,34+,35+,36+,37-,64?/m1/s1
+CH$LINK: PUBCHEM CID:15342341
+CH$LINK: INCHIKEY ZTBSRBSUQIFLBN-MTFODHARSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 95-952
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.972 min
+MS$FOCUSED_ION: BASE_PEAK 912.4189
+MS$FOCUSED_ION: PRECURSOR_M/Z 912.4183
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-01q9-0095810010-8830145898db4c969d4b
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  262.1186 C11H14N6O2- 4 262.1184 0.74
+  263.1267 C5H21N5O5S- 4 263.1269 -0.89
+  267.1087 C11H15N4O4- 6 267.1099 -4.23
+  359.2081 C11H31N6O5S- 6 359.2082 -0.32
+  386.2192 C20H28N5O3- 7 386.2198 -1.47
+  430.209 C14H38O12S- 10 430.2089 0.06
+  543.292 C26H43N2O10- 12 543.2923 -0.54
+  834.3839 C39H58N6O12S- 4 834.3839 0.04
+PK$NUM_PEAK: 8
+PK$PEAK: m/z int. rel.int.
+  262.1186 379240.1 658
+  263.1267 97065.2 168
+  267.1087 164483.2 285
+  359.2081 300985.4 522
+  386.2192 56767 98
+  430.209 575700.6 999
+  543.292 98786 171
+  834.3839 138924.6 241
+//
diff --git a/Eawag/MSBNK-EAWAG-ED074855.txt b/Eawag/MSBNK-EAWAG-ED074855.txt
new file mode 100644
index 0000000000..e2972c9aa8
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED074855.txt
@@ -0,0 +1,68 @@
+ACCESSION: MSBNK-EAWAG-ED074855
+RECORD_TITLE: Nodulapeptin B; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1016/j.chembiol.2010.01.017; https://www.jstage.jst.go.jp/article/massspec/48/1/48_1_56/_pdf
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 748
+CH$NAME: Nodulapeptin B
+CH$NAME: (((3S,6S,9S,12S,15R)-3-(acetoxymethyl)-6-(4-hydroxyphenethyl)-7-methyl-12-(2-(methylsulfinyl)ethyl)-2,5,8,11,14-pentaoxo-9-phenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)carbamoyl)-D-isoleucine
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C44H63N7O12S
+CH$EXACT_MASS: 913.4255415
+CH$SMILES: CC[C@H]([C@@H](NC(N[C@@H]1CCCCNC([C@H](COC(C)=O)NC([C@H](CCC2=CC=C(O)C=C2)N(C)C([C@H](CCC3=CC=CC=C3)NC([C@H](CCS(C)=O)NC1=O)=O)=O)=O)=O)=O)C(O)=O)C
+CH$IUPAC: InChI=1S/C44H63N7O12S/c1-6-27(2)37(43(59)60)50-44(61)49-32-14-10-11-24-45-38(54)35(26-63-28(3)52)48-41(57)36(22-18-30-15-19-31(53)20-16-30)51(4)42(58)34(21-17-29-12-8-7-9-13-29)47-40(56)33(46-39(32)55)23-25-64(5)62/h7-9,12-13,15-16,19-20,27,32-37,53H,6,10-11,14,17-18,21-26H2,1-5H3,(H,45,54)(H,46,55)(H,47,56)(H,48,57)(H,59,60)(H2,49,50,61)/t27-,32-,33+,34+,35+,36+,37-,64?/m1/s1
+CH$LINK: PUBCHEM CID:15342341
+CH$LINK: INCHIKEY ZTBSRBSUQIFLBN-MTFODHARSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 95-952
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.972 min
+MS$FOCUSED_ION: BASE_PEAK 912.4189
+MS$FOCUSED_ION: PRECURSOR_M/Z 912.4183
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0900-0793000000-c2b404ae064cc51048c9
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  111.0201 C4H3N2O2- 1 111.02 0.49
+  113.0357 C4H5N2O2- 1 113.0357 0.38
+  130.0874 C6H12NO2- 2 130.0874 0.55
+  139.0511 C6H7N2O2- 1 139.0513 -1.56
+  155.0818 C7H11N2O2- 2 155.0826 -4.98
+  195.1006 CH17N5O4S- 3 195.1007 -0.44
+  196.1081 C7H12N6O- 3 196.1078 1.67
+  247.1086 C5H19N4O5S- 4 247.1082 1.92
+  262.1186 C11H14N6O2- 4 262.1184 0.74
+  263.1261 C11H15N6O2- 4 263.1262 -0.24
+  266.1008 C17H16NS- 6 266.1009 -0.2
+  267.109 C11H15N4O4- 6 267.1099 -3.32
+  359.2083 C11H31N6O5S- 6 359.2082 0.19
+PK$NUM_PEAK: 13
+PK$PEAK: m/z int. rel.int.
+  111.0201 50629.6 216
+  113.0357 106657.9 455
+  130.0874 30327.4 129
+  139.0511 19934.6 85
+  155.0818 80896 345
+  195.1006 45271.7 193
+  196.1081 134948.5 576
+  247.1086 61096.4 260
+  262.1186 160373.9 684
+  263.1261 80579.2 344
+  266.1008 133687.9 570
+  267.109 149033 636
+  359.2083 233982.5 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED074856.txt b/Eawag/MSBNK-EAWAG-ED074856.txt
new file mode 100644
index 0000000000..e0e082fb1d
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED074856.txt
@@ -0,0 +1,72 @@
+ACCESSION: MSBNK-EAWAG-ED074856
+RECORD_TITLE: Nodulapeptin B; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1016/j.chembiol.2010.01.017; https://www.jstage.jst.go.jp/article/massspec/48/1/48_1_56/_pdf
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 748
+CH$NAME: Nodulapeptin B
+CH$NAME: (((3S,6S,9S,12S,15R)-3-(acetoxymethyl)-6-(4-hydroxyphenethyl)-7-methyl-12-(2-(methylsulfinyl)ethyl)-2,5,8,11,14-pentaoxo-9-phenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)carbamoyl)-D-isoleucine
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C44H63N7O12S
+CH$EXACT_MASS: 913.4255415
+CH$SMILES: CC[C@H]([C@@H](NC(N[C@@H]1CCCCNC([C@H](COC(C)=O)NC([C@H](CCC2=CC=C(O)C=C2)N(C)C([C@H](CCC3=CC=CC=C3)NC([C@H](CCS(C)=O)NC1=O)=O)=O)=O)=O)=O)C(O)=O)C
+CH$IUPAC: InChI=1S/C44H63N7O12S/c1-6-27(2)37(43(59)60)50-44(61)49-32-14-10-11-24-45-38(54)35(26-63-28(3)52)48-41(57)36(22-18-30-15-19-31(53)20-16-30)51(4)42(58)34(21-17-29-12-8-7-9-13-29)47-40(56)33(46-39(32)55)23-25-64(5)62/h7-9,12-13,15-16,19-20,27,32-37,53H,6,10-11,14,17-18,21-26H2,1-5H3,(H,45,54)(H,46,55)(H,47,56)(H,48,57)(H,59,60)(H2,49,50,61)/t27-,32-,33+,34+,35+,36+,37-,64?/m1/s1
+CH$LINK: PUBCHEM CID:15342341
+CH$LINK: INCHIKEY ZTBSRBSUQIFLBN-MTFODHARSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 95-952
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.972 min
+MS$FOCUSED_ION: BASE_PEAK 912.4189
+MS$FOCUSED_ION: PRECURSOR_M/Z 912.4183
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-03dj-0910000000-402021fc84739984bdb4
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  111.0201 C4H3N2O2- 1 111.02 0.7
+  113.0356 C4H5N2O2- 1 113.0357 -0.7
+  119.0505 C8H7O- 1 119.0502 1.85
+  125.0359 C5H5N2O2- 1 125.0357 1.66
+  127.0514 C5H7N2O2- 1 127.0513 0.42
+  130.0873 C6H12NO2- 1 130.0874 -0.74
+  136.0405 C7H6NO2- 3 136.0404 0.41
+  139.0512 C6H7N2O2- 1 139.0513 -0.57
+  155.082 C7H11N2O2- 2 155.0826 -4
+  195.1 CH17N5O4S- 3 195.1007 -3.33
+  196.1083 C7H12N6O- 3 196.1078 2.29
+  231.1139 C13H15N2O2- 3 231.1139 0.01
+  263.1267 C5H21N5O5S- 4 263.1269 -0.66
+  267.1094 C11H15N4O4- 6 267.1099 -1.72
+  359.2093 C13H33N3O6S- 9 359.2096 -0.83
+PK$NUM_PEAK: 15
+PK$PEAK: m/z int. rel.int.
+  111.0201 81710.5 455
+  113.0356 179029.6 999
+  119.0505 34936.9 194
+  125.0359 28406.7 158
+  127.0514 29199.4 162
+  130.0873 33184.8 185
+  136.0405 28148.8 157
+  139.0512 60101.3 335
+  155.082 64779.3 361
+  195.1 50980.9 284
+  196.1083 112870.7 629
+  231.1139 29455 164
+  263.1267 22618.1 126
+  267.1094 31819.2 177
+  359.2093 41244.5 230
+//
diff --git a/Eawag/MSBNK-EAWAG-ED075001.txt b/Eawag/MSBNK-EAWAG-ED075001.txt
new file mode 100644
index 0000000000..5d27b96f9f
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED075001.txt
@@ -0,0 +1,52 @@
+ACCESSION: MSBNK-EAWAG-ED075001
+RECORD_TITLE: Nodulapeptin C; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1016/j.chembiol.2010.01.017
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 750
+CH$NAME: Nodulapeptin C
+CH$NAME: 2-(3-(3-(acetoxymethyl)-6-(4-hydroxyphenethyl)-7-methyl-12-(2-(methylthio)ethyl)-2,5,8,11,14-pentaoxo-9-phenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)-3-methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C44H63N7O11S
+CH$EXACT_MASS: 897.4306268
+CH$SMILES: O=C(N(C(CCC1=CC=C(O)C=C1)C(NC(COC(C)=O)C2=O)=O)C)C(NC(C(CCSC)NC(C(CCCCN2)NC(NC(C(CC)C)C(O)=O)=O)=O)=O)CCC3=CC=CC=C3
+CH$IUPAC: InChI=1S/C44H63N7O11S/c1-6-27(2)37(43(59)60)50-44(61)49-32-14-10-11-24-45-38(54)35(26-62-28(3)52)48-41(57)36(22-18-30-15-19-31(53)20-16-30)51(4)42(58)34(21-17-29-12-8-7-9-13-29)47-40(56)33(23-25-63-5)46-39(32)55/h7-9,12-13,15-16,19-20,27,32-37,53H,6,10-11,14,17-18,21-26H2,1-5H3,(H,45,54)(H,46,55)(H,47,56)(H,48,57)(H,59,60)(H2,49,50,61)
+CH$LINK: PUBCHEM CID:146684876
+CH$LINK: INCHIKEY XTDLZZLFKOTTLJ-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 93-937
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.721 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 898.4379
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0002-0000000090-10248ec81807adb2e226
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  741.3644 C37H53N6O8S+ 9 741.364 0.54
+  838.4166 C42H60N7O9S+ 2 838.4168 -0.23
+  870.4432 C43H64N7O10S+ 1 870.443 0.25
+  880.4282 C44H62N7O10S+ 1 880.4273 0.98
+  898.4372 C44H64N7O11S+ 1 898.4379 -0.74
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  741.3644 386536.9 55
+  838.4166 1617408.8 230
+  870.4432 258773.8 36
+  880.4282 237699.5 33
+  898.4372 7006225 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED075002.txt b/Eawag/MSBNK-EAWAG-ED075002.txt
new file mode 100644
index 0000000000..52fc631762
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED075002.txt
@@ -0,0 +1,68 @@
+ACCESSION: MSBNK-EAWAG-ED075002
+RECORD_TITLE: Nodulapeptin C; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1016/j.chembiol.2010.01.017
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 750
+CH$NAME: Nodulapeptin C
+CH$NAME: 2-(3-(3-(acetoxymethyl)-6-(4-hydroxyphenethyl)-7-methyl-12-(2-(methylthio)ethyl)-2,5,8,11,14-pentaoxo-9-phenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)-3-methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C44H63N7O11S
+CH$EXACT_MASS: 897.4306268
+CH$SMILES: O=C(N(C(CCC1=CC=C(O)C=C1)C(NC(COC(C)=O)C2=O)=O)C)C(NC(C(CCSC)NC(C(CCCCN2)NC(NC(C(CC)C)C(O)=O)=O)=O)=O)CCC3=CC=CC=C3
+CH$IUPAC: InChI=1S/C44H63N7O11S/c1-6-27(2)37(43(59)60)50-44(61)49-32-14-10-11-24-45-38(54)35(26-62-28(3)52)48-41(57)36(22-18-30-15-19-31(53)20-16-30)51(4)42(58)34(21-17-29-12-8-7-9-13-29)47-40(56)33(23-25-63-5)46-39(32)55/h7-9,12-13,15-16,19-20,27,32-37,53H,6,10-11,14,17-18,21-26H2,1-5H3,(H,45,54)(H,46,55)(H,47,56)(H,48,57)(H,59,60)(H2,49,50,61)
+CH$LINK: PUBCHEM CID:146684876
+CH$LINK: INCHIKEY XTDLZZLFKOTTLJ-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 93-937
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.721 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 898.4379
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-000b-0000000490-bea013fe62d7c0d066ba
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  164.107 C10H14NO+ 3 164.107 0.28
+  484.2264 C26H34N3O4S+ 11 484.2265 -0.19
+  493.2295 C30H31N5S+ 10 493.2295 0.07
+  516.2259 C24H38NO9S+ 8 516.2262 -0.53
+  647.3217 C38H47O9+ 14 647.3215 0.39
+  681.3433 C35H49N6O6S+ 11 681.3429 0.57
+  737.3537 C34H53N6O10S+ 9 737.3538 -0.15
+  741.364 C37H53N6O8S+ 9 741.364 0.05
+  767.344 C40H53N3O10S+ 7 767.3446 -0.84
+  785.3544 C38H53N6O10S+ 6 785.3538 0.74
+  838.4166 C42H60N7O9S+ 2 838.4168 -0.16
+  870.4427 C43H64N7O10S+ 1 870.443 -0.38
+  898.4382 C44H64N7O11S+ 1 898.4379 0.35
+PK$NUM_PEAK: 13
+PK$PEAK: m/z int. rel.int.
+  164.107 78513.2 37
+  484.2264 214285.3 102
+  493.2295 150639.3 72
+  516.2259 29802.7 14
+  647.3217 77866.6 37
+  681.3433 148195.1 71
+  737.3537 556072.8 267
+  741.364 625324.5 300
+  767.344 356889.1 171
+  785.3544 222849.6 107
+  838.4166 1104126.2 530
+  870.4427 535035 257
+  898.4382 2079743 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED075003.txt b/Eawag/MSBNK-EAWAG-ED075003.txt
new file mode 100644
index 0000000000..b2277bbcd6
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED075003.txt
@@ -0,0 +1,82 @@
+ACCESSION: MSBNK-EAWAG-ED075003
+RECORD_TITLE: Nodulapeptin C; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1016/j.chembiol.2010.01.017
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 750
+CH$NAME: Nodulapeptin C
+CH$NAME: 2-(3-(3-(acetoxymethyl)-6-(4-hydroxyphenethyl)-7-methyl-12-(2-(methylthio)ethyl)-2,5,8,11,14-pentaoxo-9-phenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)-3-methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C44H63N7O11S
+CH$EXACT_MASS: 897.4306268
+CH$SMILES: O=C(N(C(CCC1=CC=C(O)C=C1)C(NC(COC(C)=O)C2=O)=O)C)C(NC(C(CCSC)NC(C(CCCCN2)NC(NC(C(CC)C)C(O)=O)=O)=O)=O)CCC3=CC=CC=C3
+CH$IUPAC: InChI=1S/C44H63N7O11S/c1-6-27(2)37(43(59)60)50-44(61)49-32-14-10-11-24-45-38(54)35(26-62-28(3)52)48-41(57)36(22-18-30-15-19-31(53)20-16-30)51(4)42(58)34(21-17-29-12-8-7-9-13-29)47-40(56)33(23-25-63-5)46-39(32)55/h7-9,12-13,15-16,19-20,27,32-37,53H,6,10-11,14,17-18,21-26H2,1-5H3,(H,45,54)(H,46,55)(H,47,56)(H,48,57)(H,59,60)(H2,49,50,61)
+CH$LINK: PUBCHEM CID:146684876
+CH$LINK: INCHIKEY XTDLZZLFKOTTLJ-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 93-937
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.721 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 898.4379
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-01wr-0826632980-1178e17c8cb8a80c2b70
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  164.1069 C10H14NO+ 3 164.107 -0.46
+  181.0975 C9H13N2O2+ 2 181.0972 1.81
+  195.1128 C10H15N2O2+ 3 195.1128 0.16
+  213.1234 C10H17N2O3+ 3 213.1234 0.31
+  261.1235 C14H17N2O3+ 4 261.1234 0.66
+  265.1365 C7H23NO9+ 5 265.1367 -0.86
+  321.1446 C16H21N2O5+ 6 321.1445 0.41
+  355.1983 C16H27N4O5+ 6 355.1976 2.09
+  397.209 C12H35N3O9S+ 7 397.2089 0.47
+  484.2266 C26H34N3O4S+ 12 484.2265 0.25
+  488.2323 C24H34N5O4S+ 10 488.2326 -0.6
+  514.2335 C25H34N6O4S+ 11 514.2357 -4.28
+  516.2274 C31H28N6O2+ 7 516.2268 1.17
+  647.3218 C38H47O9+ 14 647.3215 0.49
+  681.343 C35H49N6O6S+ 11 681.3429 0.21
+  737.3542 C34H53N6O10S+ 9 737.3538 0.43
+  767.3448 C40H53N3O10S+ 8 767.3446 0.2
+  838.4157 C42H60N7O9S+ 2 838.4168 -1.25
+  870.4416 C43H64N7O10S+ 1 870.443 -1.57
+  898.4396 C44H64N7O11S+ 1 898.4379 1.85
+PK$NUM_PEAK: 20
+PK$PEAK: m/z int. rel.int.
+  164.1069 487322.4 999
+  181.0975 14974.3 30
+  195.1128 35170.2 72
+  213.1234 79749.7 163
+  261.1235 39252.1 80
+  265.1365 19924.5 40
+  321.1446 315417.8 646
+  355.1983 79106.2 162
+  397.209 34950 71
+  484.2266 338157.8 693
+  488.2323 49211.1 100
+  514.2335 99349.3 203
+  516.2274 104800.6 214
+  647.3218 59644.2 122
+  681.343 116677.7 239
+  737.3542 451651.5 925
+  767.3448 122342.1 250
+  838.4157 214957.2 440
+  870.4416 168456.2 345
+  898.4396 183560.9 376
+//
diff --git a/Eawag/MSBNK-EAWAG-ED075004.txt b/Eawag/MSBNK-EAWAG-ED075004.txt
new file mode 100644
index 0000000000..a7afb4463d
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED075004.txt
@@ -0,0 +1,82 @@
+ACCESSION: MSBNK-EAWAG-ED075004
+RECORD_TITLE: Nodulapeptin C; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1016/j.chembiol.2010.01.017
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 750
+CH$NAME: Nodulapeptin C
+CH$NAME: 2-(3-(3-(acetoxymethyl)-6-(4-hydroxyphenethyl)-7-methyl-12-(2-(methylthio)ethyl)-2,5,8,11,14-pentaoxo-9-phenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)-3-methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C44H63N7O11S
+CH$EXACT_MASS: 897.4306268
+CH$SMILES: O=C(N(C(CCC1=CC=C(O)C=C1)C(NC(COC(C)=O)C2=O)=O)C)C(NC(C(CCSC)NC(C(CCCCN2)NC(NC(C(CC)C)C(O)=O)=O)=O)=O)CCC3=CC=CC=C3
+CH$IUPAC: InChI=1S/C44H63N7O11S/c1-6-27(2)37(43(59)60)50-44(61)49-32-14-10-11-24-45-38(54)35(26-62-28(3)52)48-41(57)36(22-18-30-15-19-31(53)20-16-30)51(4)42(58)34(21-17-29-12-8-7-9-13-29)47-40(56)33(23-25-63-5)46-39(32)55/h7-9,12-13,15-16,19-20,27,32-37,53H,6,10-11,14,17-18,21-26H2,1-5H3,(H,45,54)(H,46,55)(H,47,56)(H,48,57)(H,59,60)(H2,49,50,61)
+CH$LINK: PUBCHEM CID:146684876
+CH$LINK: INCHIKEY XTDLZZLFKOTTLJ-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 93-937
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.721 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 898.4379
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-03di-0903300000-f72a895351f07765f19d
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  107.0492 C7H7O+ 1 107.0491 0.33
+  129.1024 C6H13N2O+ 2 129.1022 1.12
+  133.0646 C9H9O+ 2 133.0648 -1.26
+  134.0964 C9H12N+ 1 134.0964 0.15
+  164.1069 C10H14NO+ 3 164.107 -0.37
+  171.113 C8H15N2O2+ 3 171.1128 1.15
+  181.0974 C9H13N2O2+ 3 181.0972 1.14
+  192.1018 C11H14NO2+ 4 192.1019 -0.57
+  195.113 C10H15N2O2+ 3 195.1128 1.02
+  213.1234 C10H17N2O3+ 3 213.1234 0.31
+  261.1236 C14H17N2O3+ 4 261.1234 0.78
+  321.1446 C16H21N2O5+ 6 321.1445 0.32
+  327.2027 C15H27N4O4+ 7 327.2027 0.16
+  355.1432 C15H23N4O4S+ 9 355.1435 -0.82
+  355.1978 C16H27N4O5+ 7 355.1976 0.45
+  397.2083 C12H35N3O9S+ 9 397.2089 -1.3
+  488.2324 C24H34N5O4S+ 9 488.2326 -0.41
+  490.2473 C23H40NO8S+ 9 490.2469 0.84
+  493.2294 C30H31N5S+ 10 493.2295 -0.11
+  514.2357 C25H34N6O4S+ 9 514.2357 0.11
+PK$NUM_PEAK: 20
+PK$PEAK: m/z int. rel.int.
+  107.0492 196789.1 185
+  129.1024 32553.1 30
+  133.0646 46967.1 44
+  134.0964 22479.2 21
+  164.1069 1058845.4 999
+  171.113 27443.4 25
+  181.0974 39135.7 36
+  192.1018 53999.7 50
+  195.113 61185.4 57
+  213.1234 94287 88
+  261.1236 55871.2 52
+  321.1446 310250.9 292
+  327.2027 36764.2 34
+  355.1432 85436.7 80
+  355.1978 114413.3 107
+  397.2083 28397.6 26
+  488.2324 49773.4 46
+  490.2473 60440.1 57
+  493.2294 467448.7 441
+  514.2357 60616.4 57
+//
diff --git a/Eawag/MSBNK-EAWAG-ED075005.txt b/Eawag/MSBNK-EAWAG-ED075005.txt
new file mode 100644
index 0000000000..82fc80a2df
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED075005.txt
@@ -0,0 +1,80 @@
+ACCESSION: MSBNK-EAWAG-ED075005
+RECORD_TITLE: Nodulapeptin C; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1016/j.chembiol.2010.01.017
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 750
+CH$NAME: Nodulapeptin C
+CH$NAME: 2-(3-(3-(acetoxymethyl)-6-(4-hydroxyphenethyl)-7-methyl-12-(2-(methylthio)ethyl)-2,5,8,11,14-pentaoxo-9-phenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)-3-methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C44H63N7O11S
+CH$EXACT_MASS: 897.4306268
+CH$SMILES: O=C(N(C(CCC1=CC=C(O)C=C1)C(NC(COC(C)=O)C2=O)=O)C)C(NC(C(CCSC)NC(C(CCCCN2)NC(NC(C(CC)C)C(O)=O)=O)=O)=O)CCC3=CC=CC=C3
+CH$IUPAC: InChI=1S/C44H63N7O11S/c1-6-27(2)37(43(59)60)50-44(61)49-32-14-10-11-24-45-38(54)35(26-62-28(3)52)48-41(57)36(22-18-30-15-19-31(53)20-16-30)51(4)42(58)34(21-17-29-12-8-7-9-13-29)47-40(56)33(23-25-63-5)46-39(32)55/h7-9,12-13,15-16,19-20,27,32-37,53H,6,10-11,14,17-18,21-26H2,1-5H3,(H,45,54)(H,46,55)(H,47,56)(H,48,57)(H,59,60)(H2,49,50,61)
+CH$LINK: PUBCHEM CID:146684876
+CH$LINK: INCHIKEY XTDLZZLFKOTTLJ-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 93-937
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.721 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 898.4379
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-03di-0920000000-bd264490f15761b2884d
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  104.0528 C4H10NS+ 1 104.0528 -0.11
+  107.0491 C7H7O+ 1 107.0491 -0.52
+  117.0702 C9H9+ 1 117.0699 2.48
+  129.1022 C6H13N2O+ 1 129.1022 -0.3
+  134.0964 C9H12N+ 2 134.0964 0.04
+  153.102 C8H13N2O+ 2 153.1022 -1.75
+  164.1068 C10H14NO+ 2 164.107 -0.92
+  171.1127 C8H15N2O2+ 3 171.1128 -0.72
+  181.0968 C9H13N2O2+ 2 181.0972 -1.73
+  195.1128 C10H15N2O2+ 3 195.1128 0.16
+  213.1232 C10H17N2O3+ 3 213.1234 -0.77
+  233.1289 C7H23NO5S+ 3 233.1291 -1.13
+  265.1367 C7H23NO9+ 4 265.1367 -0.06
+  279.1451 C13H19N4O3+ 5 279.1452 -0.33
+  284.1238 C12H18N3O5+ 5 284.1241 -1.1
+  327.2035 C15H27N4O4+ 7 327.2027 2.5
+  355.1426 C15H23N4O4S+ 7 355.1435 -2.54
+  355.1979 C16H27N4O5+ 9 355.1976 0.88
+  369.214 C11H35N3O8S+ 6 369.2139 0.14
+PK$NUM_PEAK: 19
+PK$PEAK: m/z int. rel.int.
+  104.0528 27322.7 18
+  107.0491 681823.6 460
+  117.0702 21172.9 14
+  129.1022 70596.8 47
+  134.0964 79363.2 53
+  153.102 202741.8 136
+  164.1068 1478772.1 999
+  171.1127 111518.6 75
+  181.0968 71983.5 48
+  195.1128 160731.7 108
+  213.1232 121555 82
+  233.1289 18665.1 12
+  265.1367 158248.3 106
+  279.1451 77782.8 52
+  284.1238 338040.3 228
+  327.2035 24461.4 16
+  355.1426 55849.9 37
+  355.1979 52456.7 35
+  369.214 81259 54
+//
diff --git a/Eawag/MSBNK-EAWAG-ED075006.txt b/Eawag/MSBNK-EAWAG-ED075006.txt
new file mode 100644
index 0000000000..419531c435
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED075006.txt
@@ -0,0 +1,74 @@
+ACCESSION: MSBNK-EAWAG-ED075006
+RECORD_TITLE: Nodulapeptin C; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1016/j.chembiol.2010.01.017
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 750
+CH$NAME: Nodulapeptin C
+CH$NAME: 2-(3-(3-(acetoxymethyl)-6-(4-hydroxyphenethyl)-7-methyl-12-(2-(methylthio)ethyl)-2,5,8,11,14-pentaoxo-9-phenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)-3-methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C44H63N7O11S
+CH$EXACT_MASS: 897.4306268
+CH$SMILES: O=C(N(C(CCC1=CC=C(O)C=C1)C(NC(COC(C)=O)C2=O)=O)C)C(NC(C(CCSC)NC(C(CCCCN2)NC(NC(C(CC)C)C(O)=O)=O)=O)=O)CCC3=CC=CC=C3
+CH$IUPAC: InChI=1S/C44H63N7O11S/c1-6-27(2)37(43(59)60)50-44(61)49-32-14-10-11-24-45-38(54)35(26-62-28(3)52)48-41(57)36(22-18-30-15-19-31(53)20-16-30)51(4)42(58)34(21-17-29-12-8-7-9-13-29)47-40(56)33(23-25-63-5)46-39(32)55/h7-9,12-13,15-16,19-20,27,32-37,53H,6,10-11,14,17-18,21-26H2,1-5H3,(H,45,54)(H,46,55)(H,47,56)(H,48,57)(H,59,60)(H2,49,50,61)
+CH$LINK: PUBCHEM CID:146684876
+CH$LINK: INCHIKEY XTDLZZLFKOTTLJ-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 93-937
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.721 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 898.4379
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0bt9-0910000000-00a2e36d23e90a2f099c
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  104.053 C4H10NS+ 1 104.0528 1.28
+  107.0491 C7H7O+ 1 107.0491 -0.38
+  117.0698 C9H9+ 2 117.0699 -0.98
+  129.1021 C6H13N2O+ 1 129.1022 -0.77
+  134.0963 C9H12N+ 2 134.0964 -0.99
+  153.1022 C8H13N2O+ 2 153.1022 -0.55
+  164.1069 C10H14NO+ 3 164.107 -0.64
+  171.1127 C8H15N2O2+ 3 171.1128 -0.55
+  172.1149 CH14N7O3+ 3 172.1153 -2.06
+  181.097 C9H13N2O2+ 3 181.0972 -0.72
+  195.1128 C10H15N2O2+ 3 195.1128 0.08
+  230.118 H18N6O8+ 5 230.1181 -0.42
+  238.1191 C3H20N5O5S+ 4 238.118 4.79
+  279.145 C13H19N4O3+ 5 279.1452 -0.55
+  284.1243 C12H18N3O5+ 6 284.1241 0.73
+  307.1408 C6H23N6O6S+ 7 307.1394 4.44
+PK$NUM_PEAK: 16
+PK$PEAK: m/z int. rel.int.
+  104.053 64188.1 50
+  107.0491 1269375.6 999
+  117.0698 65147.8 51
+  129.1021 85325.2 67
+  134.0963 120153.3 94
+  153.1022 300483.1 236
+  164.1069 943679.7 742
+  171.1127 185745.2 146
+  172.1149 35745.8 28
+  181.097 85316.5 67
+  195.1128 275424.2 216
+  230.118 19579.6 15
+  238.1191 76792.6 60
+  279.145 58287.1 45
+  284.1243 461929.4 363
+  307.1408 27582.4 21
+//
diff --git a/Eawag/MSBNK-EAWAG-ED075007.txt b/Eawag/MSBNK-EAWAG-ED075007.txt
new file mode 100644
index 0000000000..d9d1a251eb
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED075007.txt
@@ -0,0 +1,72 @@
+ACCESSION: MSBNK-EAWAG-ED075007
+RECORD_TITLE: Nodulapeptin C; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1016/j.chembiol.2010.01.017
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 750
+CH$NAME: Nodulapeptin C
+CH$NAME: 2-(3-(3-(acetoxymethyl)-6-(4-hydroxyphenethyl)-7-methyl-12-(2-(methylthio)ethyl)-2,5,8,11,14-pentaoxo-9-phenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)-3-methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C44H63N7O11S
+CH$EXACT_MASS: 897.4306268
+CH$SMILES: O=C(N(C(CCC1=CC=C(O)C=C1)C(NC(COC(C)=O)C2=O)=O)C)C(NC(C(CCSC)NC(C(CCCCN2)NC(NC(C(CC)C)C(O)=O)=O)=O)=O)CCC3=CC=CC=C3
+CH$IUPAC: InChI=1S/C44H63N7O11S/c1-6-27(2)37(43(59)60)50-44(61)49-32-14-10-11-24-45-38(54)35(26-62-28(3)52)48-41(57)36(22-18-30-15-19-31(53)20-16-30)51(4)42(58)34(21-17-29-12-8-7-9-13-29)47-40(56)33(23-25-63-5)46-39(32)55/h7-9,12-13,15-16,19-20,27,32-37,53H,6,10-11,14,17-18,21-26H2,1-5H3,(H,45,54)(H,46,55)(H,47,56)(H,48,57)(H,59,60)(H2,49,50,61)
+CH$LINK: PUBCHEM CID:146684876
+CH$LINK: INCHIKEY XTDLZZLFKOTTLJ-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 93-937
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.721 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 898.4379
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0a4i-0900000000-f13326df9dbc49db3016
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  104.0527 C4H10NS+ 1 104.0528 -1.06
+  107.0491 C7H7O+ 1 107.0491 -0.24
+  117.0698 C9H9+ 2 117.0699 -0.78
+  129.1021 C6H13N2O+ 1 129.1022 -1.25
+  133.0647 C9H9O+ 2 133.0648 -0.45
+  134.0962 C9H12N+ 2 134.0964 -1.33
+  136.0759 C8H10NO+ 2 136.0757 1.72
+  153.1022 C8H13N2O+ 3 153.1022 -0.25
+  155.0815 C7H11N2O2+ 2 155.0815 0.19
+  164.1069 C10H14NO+ 3 164.107 -0.37
+  171.1129 C8H15N2O2+ 3 171.1128 0.35
+  181.0973 C9H13N2O2+ 3 181.0972 0.55
+  195.1129 C10H15N2O2+ 3 195.1128 0.24
+  210.1238 C4H22N2O5S+ 3 210.1244 -3.02
+  284.1241 C12H18N3O5+ 7 284.1241 -0.13
+PK$NUM_PEAK: 15
+PK$PEAK: m/z int. rel.int.
+  104.0527 48413.9 26
+  107.0491 1797371.5 999
+  117.0698 103916.7 57
+  129.1021 73547 40
+  133.0647 47423 26
+  134.0962 95814 53
+  136.0759 44993.2 25
+  153.1022 241922.2 134
+  155.0815 47600.1 26
+  164.1069 382296.3 212
+  171.1129 148177.9 82
+  181.0973 76081.3 42
+  195.1129 301864.6 167
+  210.1238 31255.6 17
+  284.1241 294264.9 163
+//
diff --git a/Eawag/MSBNK-EAWAG-ED075008.txt b/Eawag/MSBNK-EAWAG-ED075008.txt
new file mode 100644
index 0000000000..9e8a2eea22
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED075008.txt
@@ -0,0 +1,74 @@
+ACCESSION: MSBNK-EAWAG-ED075008
+RECORD_TITLE: Nodulapeptin C; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1016/j.chembiol.2010.01.017
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 750
+CH$NAME: Nodulapeptin C
+CH$NAME: 2-(3-(3-(acetoxymethyl)-6-(4-hydroxyphenethyl)-7-methyl-12-(2-(methylthio)ethyl)-2,5,8,11,14-pentaoxo-9-phenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)-3-methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C44H63N7O11S
+CH$EXACT_MASS: 897.4306268
+CH$SMILES: O=C(N(C(CCC1=CC=C(O)C=C1)C(NC(COC(C)=O)C2=O)=O)C)C(NC(C(CCSC)NC(C(CCCCN2)NC(NC(C(CC)C)C(O)=O)=O)=O)=O)CCC3=CC=CC=C3
+CH$IUPAC: InChI=1S/C44H63N7O11S/c1-6-27(2)37(43(59)60)50-44(61)49-32-14-10-11-24-45-38(54)35(26-62-28(3)52)48-41(57)36(22-18-30-15-19-31(53)20-16-30)51(4)42(58)34(21-17-29-12-8-7-9-13-29)47-40(56)33(23-25-63-5)46-39(32)55/h7-9,12-13,15-16,19-20,27,32-37,53H,6,10-11,14,17-18,21-26H2,1-5H3,(H,45,54)(H,46,55)(H,47,56)(H,48,57)(H,59,60)(H2,49,50,61)
+CH$LINK: PUBCHEM CID:146684876
+CH$LINK: INCHIKEY XTDLZZLFKOTTLJ-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 93-937
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.721 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 898.4379
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0a4i-0900000000-9483cfde2cbe33a6e5a1
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  95.0491 C6H7O+ 1 95.0491 -0.9
+  104.0532 C4H10NS+ 1 104.0528 3.63
+  107.0491 C7H7O+ 1 107.0491 -0.52
+  110.06 C6H8NO+ 1 110.06 -0.49
+  117.0699 C9H9+ 1 117.0699 0
+  129.1018 C6H13N2O+ 1 129.1022 -3.49
+  133.0643 C9H9O+ 2 133.0648 -3.44
+  134.0962 C9H12N+ 2 134.0964 -1.9
+  136.0755 C8H10NO+ 2 136.0757 -1.09
+  153.1022 C8H13N2O+ 3 153.1022 -0.15
+  154.0863 H16N3O4S+ 4 154.0856 4.66
+  155.0809 C7H11N2O2+ 2 155.0815 -4.04
+  164.1071 C10H14NO+ 3 164.107 0.66
+  171.113 C8H15N2O2+ 3 171.1128 1.06
+  181.0972 C9H13N2O2+ 3 181.0972 0.04
+  195.1129 C10H15N2O2+ 3 195.1128 0.4
+PK$NUM_PEAK: 16
+PK$PEAK: m/z int. rel.int.
+  95.0491 42653.2 19
+  104.0532 40214.7 18
+  107.0491 2131789.2 999
+  110.06 30981.3 14
+  117.0699 101754.3 47
+  129.1018 44116.4 20
+  133.0643 32070.6 15
+  134.0962 52980.7 24
+  136.0755 42426 19
+  153.1022 192637.5 90
+  154.0863 26394.7 12
+  155.0809 38043.3 17
+  164.1071 117644.3 55
+  171.113 85338.7 39
+  181.0972 35396.8 16
+  195.1129 190896.1 89
+//
diff --git a/Eawag/MSBNK-EAWAG-ED075009.txt b/Eawag/MSBNK-EAWAG-ED075009.txt
new file mode 100644
index 0000000000..3a70936113
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED075009.txt
@@ -0,0 +1,58 @@
+ACCESSION: MSBNK-EAWAG-ED075009
+RECORD_TITLE: Nodulapeptin C; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1016/j.chembiol.2010.01.017
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 750
+CH$NAME: Nodulapeptin C
+CH$NAME: 2-(3-(3-(acetoxymethyl)-6-(4-hydroxyphenethyl)-7-methyl-12-(2-(methylthio)ethyl)-2,5,8,11,14-pentaoxo-9-phenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)-3-methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C44H63N7O11S
+CH$EXACT_MASS: 897.4306268
+CH$SMILES: O=C(N(C(CCC1=CC=C(O)C=C1)C(NC(COC(C)=O)C2=O)=O)C)C(NC(C(CCSC)NC(C(CCCCN2)NC(NC(C(CC)C)C(O)=O)=O)=O)=O)CCC3=CC=CC=C3
+CH$IUPAC: InChI=1S/C44H63N7O11S/c1-6-27(2)37(43(59)60)50-44(61)49-32-14-10-11-24-45-38(54)35(26-62-28(3)52)48-41(57)36(22-18-30-15-19-31(53)20-16-30)51(4)42(58)34(21-17-29-12-8-7-9-13-29)47-40(56)33(23-25-63-5)46-39(32)55/h7-9,12-13,15-16,19-20,27,32-37,53H,6,10-11,14,17-18,21-26H2,1-5H3,(H,45,54)(H,46,55)(H,47,56)(H,48,57)(H,59,60)(H2,49,50,61)
+CH$LINK: PUBCHEM CID:146684876
+CH$LINK: INCHIKEY XTDLZZLFKOTTLJ-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 93-937
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.721 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 898.4379
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0a4i-0900000000-d3d031dfc7de909187ac
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  107.049 C7H7O+ 1 107.0491 -1.02
+  110.0602 C6H8NO+ 1 110.06 1.03
+  117.0695 C9H9+ 2 117.0699 -3.19
+  129.1022 C6H13N2O+ 1 129.1022 -0.42
+  136.0753 C8H10NO+ 2 136.0757 -2.99
+  153.102 C8H13N2O+ 2 153.1022 -1.65
+  171.1125 C8H15N2O2+ 2 171.1128 -1.88
+  195.1128 C10H15N2O2+ 3 195.1128 -0.07
+PK$NUM_PEAK: 8
+PK$PEAK: m/z int. rel.int.
+  107.049 1989467.5 999
+  110.0602 38941 19
+  117.0695 92187.8 46
+  129.1022 25505.7 12
+  136.0753 38741.4 19
+  153.102 86343.9 43
+  171.1125 41257 20
+  195.1128 64902.2 32
+//
diff --git a/Eawag/MSBNK-EAWAG-ED075051.txt b/Eawag/MSBNK-EAWAG-ED075051.txt
new file mode 100644
index 0000000000..6e7c0768f6
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED075051.txt
@@ -0,0 +1,52 @@
+ACCESSION: MSBNK-EAWAG-ED075051
+RECORD_TITLE: Nodulapeptin C; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1016/j.chembiol.2010.01.017
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 750
+CH$NAME: Nodulapeptin C
+CH$NAME: 2-(3-(3-(acetoxymethyl)-6-(4-hydroxyphenethyl)-7-methyl-12-(2-(methylthio)ethyl)-2,5,8,11,14-pentaoxo-9-phenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)-3-methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C44H63N7O11S
+CH$EXACT_MASS: 897.4306268
+CH$SMILES: O=C(N(C(CCC1=CC=C(O)C=C1)C(NC(COC(C)=O)C2=O)=O)C)C(NC(C(CCSC)NC(C(CCCCN2)NC(NC(C(CC)C)C(O)=O)=O)=O)=O)CCC3=CC=CC=C3
+CH$IUPAC: InChI=1S/C44H63N7O11S/c1-6-27(2)37(43(59)60)50-44(61)49-32-14-10-11-24-45-38(54)35(26-62-28(3)52)48-41(57)36(22-18-30-15-19-31(53)20-16-30)51(4)42(58)34(21-17-29-12-8-7-9-13-29)47-40(56)33(23-25-63-5)46-39(32)55/h7-9,12-13,15-16,19-20,27,32-37,53H,6,10-11,14,17-18,21-26H2,1-5H3,(H,45,54)(H,46,55)(H,47,56)(H,48,57)(H,59,60)(H2,49,50,61)
+CH$LINK: PUBCHEM CID:146684876
+CH$LINK: INCHIKEY XTDLZZLFKOTTLJ-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 93-935
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.736 min
+MS$FOCUSED_ION: BASE_PEAK 896.4238
+MS$FOCUSED_ION: PRECURSOR_M/Z 896.4234
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-004j-0000000290-8dfc4674cf791b6b9731
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  705.307 C36H45N6O7S- 11 705.3076 -0.8
+  766.3302 C44H50N2O8S- 4 766.3293 1.19
+  818.3911 C42H56N7O8S- 3 818.3917 -0.73
+  878.4122 C44H60N7O10S- 1 878.4128 -0.67
+  896.4229 C44H62N7O11S- 1 896.4234 -0.45
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  705.307 703900 354
+  766.3302 216046.9 108
+  818.3911 48882.9 24
+  878.4122 1985996.4 999
+  896.4229 1258559.8 633
+//
diff --git a/Eawag/MSBNK-EAWAG-ED075052.txt b/Eawag/MSBNK-EAWAG-ED075052.txt
new file mode 100644
index 0000000000..816ca5b58e
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED075052.txt
@@ -0,0 +1,56 @@
+ACCESSION: MSBNK-EAWAG-ED075052
+RECORD_TITLE: Nodulapeptin C; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1016/j.chembiol.2010.01.017
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 750
+CH$NAME: Nodulapeptin C
+CH$NAME: 2-(3-(3-(acetoxymethyl)-6-(4-hydroxyphenethyl)-7-methyl-12-(2-(methylthio)ethyl)-2,5,8,11,14-pentaoxo-9-phenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)-3-methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C44H63N7O11S
+CH$EXACT_MASS: 897.4306268
+CH$SMILES: O=C(N(C(CCC1=CC=C(O)C=C1)C(NC(COC(C)=O)C2=O)=O)C)C(NC(C(CCSC)NC(C(CCCCN2)NC(NC(C(CC)C)C(O)=O)=O)=O)=O)CCC3=CC=CC=C3
+CH$IUPAC: InChI=1S/C44H63N7O11S/c1-6-27(2)37(43(59)60)50-44(61)49-32-14-10-11-24-45-38(54)35(26-62-28(3)52)48-41(57)36(22-18-30-15-19-31(53)20-16-30)51(4)42(58)34(21-17-29-12-8-7-9-13-29)47-40(56)33(23-25-63-5)46-39(32)55/h7-9,12-13,15-16,19-20,27,32-37,53H,6,10-11,14,17-18,21-26H2,1-5H3,(H,45,54)(H,46,55)(H,47,56)(H,48,57)(H,59,60)(H2,49,50,61)
+CH$LINK: PUBCHEM CID:146684876
+CH$LINK: INCHIKEY XTDLZZLFKOTTLJ-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 93-935
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.736 min
+MS$FOCUSED_ION: BASE_PEAK 896.4238
+MS$FOCUSED_ION: PRECURSOR_M/Z 896.4234
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0aor-0000000920-8e5f23c5a780497aff3a
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  430.2091 C13H32N7O7S- 9 430.2089 0.28
+  705.3067 C36H45N6O7S- 9 705.3076 -1.23
+  706.3101 C43H42N6O2S- 8 706.3095 0.76
+  765.3279 C44H43N7O6- 7 765.328 -0.21
+  766.3308 C44H50N2O8S- 4 766.3293 1.91
+  818.391 C42H56N7O8S- 3 818.3917 -0.81
+  878.4118 C44H60N7O10S- 1 878.4128 -1.09
+PK$NUM_PEAK: 7
+PK$PEAK: m/z int. rel.int.
+  430.2091 194650.2 67
+  705.3067 2876067.2 999
+  706.3101 138244.3 48
+  765.3279 2184884.5 758
+  766.3308 119413.4 41
+  818.391 395392.4 137
+  878.4118 1263210.5 438
+//
diff --git a/Eawag/MSBNK-EAWAG-ED075053.txt b/Eawag/MSBNK-EAWAG-ED075053.txt
new file mode 100644
index 0000000000..4d4449955c
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED075053.txt
@@ -0,0 +1,66 @@
+ACCESSION: MSBNK-EAWAG-ED075053
+RECORD_TITLE: Nodulapeptin C; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1016/j.chembiol.2010.01.017
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 750
+CH$NAME: Nodulapeptin C
+CH$NAME: 2-(3-(3-(acetoxymethyl)-6-(4-hydroxyphenethyl)-7-methyl-12-(2-(methylthio)ethyl)-2,5,8,11,14-pentaoxo-9-phenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)-3-methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C44H63N7O11S
+CH$EXACT_MASS: 897.4306268
+CH$SMILES: O=C(N(C(CCC1=CC=C(O)C=C1)C(NC(COC(C)=O)C2=O)=O)C)C(NC(C(CCSC)NC(C(CCCCN2)NC(NC(C(CC)C)C(O)=O)=O)=O)=O)CCC3=CC=CC=C3
+CH$IUPAC: InChI=1S/C44H63N7O11S/c1-6-27(2)37(43(59)60)50-44(61)49-32-14-10-11-24-45-38(54)35(26-62-28(3)52)48-41(57)36(22-18-30-15-19-31(53)20-16-30)51(4)42(58)34(21-17-29-12-8-7-9-13-29)47-40(56)33(23-25-63-5)46-39(32)55/h7-9,12-13,15-16,19-20,27,32-37,53H,6,10-11,14,17-18,21-26H2,1-5H3,(H,45,54)(H,46,55)(H,47,56)(H,48,57)(H,59,60)(H2,49,50,61)
+CH$LINK: PUBCHEM CID:146684876
+CH$LINK: INCHIKEY XTDLZZLFKOTTLJ-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 93-935
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.736 min
+MS$FOCUSED_ION: BASE_PEAK 896.4238
+MS$FOCUSED_ION: PRECURSOR_M/Z 896.4234
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0a4i-0000200920-2790949d5043b491b56c
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  155.0825 C7H11N2O2- 1 155.0826 -0.95
+  262.1187 C5H20N5O5S- 4 262.1191 -1.2
+  267.109 C17H17NS- 6 267.1087 1.14
+  310.1224 C20H14N4- 7 310.1224 -0.04
+  359.2083 C11H31N6O5S- 6 359.2082 0.28
+  430.2088 C13H32N7O7S- 9 430.2089 -0.29
+  543.2931 C41H37N- 11 543.2931 -0.15
+  705.3069 C36H45N6O7S- 11 705.3076 -0.97
+  706.3099 C43H42N6O2S- 8 706.3095 0.5
+  765.3275 C44H43N7O6- 5 765.328 -0.69
+  818.3915 C42H56N7O8S- 3 818.3917 -0.13
+  878.4117 C44H60N7O10S- 1 878.4128 -1.23
+PK$NUM_PEAK: 12
+PK$PEAK: m/z int. rel.int.
+  155.0825 44001.7 14
+  262.1187 179821.6 60
+  267.109 156894.8 52
+  310.1224 123126.6 41
+  359.2083 171109.7 57
+  430.2088 792268.8 267
+  543.2931 154223.7 52
+  705.3069 2957663.5 999
+  706.3099 176211 59
+  765.3275 381129.8 128
+  818.3915 683660.2 230
+  878.4117 381880 128
+//
diff --git a/Eawag/MSBNK-EAWAG-ED075054.txt b/Eawag/MSBNK-EAWAG-ED075054.txt
new file mode 100644
index 0000000000..b64fb58a94
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED075054.txt
@@ -0,0 +1,72 @@
+ACCESSION: MSBNK-EAWAG-ED075054
+RECORD_TITLE: Nodulapeptin C; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1016/j.chembiol.2010.01.017
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 750
+CH$NAME: Nodulapeptin C
+CH$NAME: 2-(3-(3-(acetoxymethyl)-6-(4-hydroxyphenethyl)-7-methyl-12-(2-(methylthio)ethyl)-2,5,8,11,14-pentaoxo-9-phenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)-3-methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C44H63N7O11S
+CH$EXACT_MASS: 897.4306268
+CH$SMILES: O=C(N(C(CCC1=CC=C(O)C=C1)C(NC(COC(C)=O)C2=O)=O)C)C(NC(C(CCSC)NC(C(CCCCN2)NC(NC(C(CC)C)C(O)=O)=O)=O)=O)CCC3=CC=CC=C3
+CH$IUPAC: InChI=1S/C44H63N7O11S/c1-6-27(2)37(43(59)60)50-44(61)49-32-14-10-11-24-45-38(54)35(26-62-28(3)52)48-41(57)36(22-18-30-15-19-31(53)20-16-30)51(4)42(58)34(21-17-29-12-8-7-9-13-29)47-40(56)33(23-25-63-5)46-39(32)55/h7-9,12-13,15-16,19-20,27,32-37,53H,6,10-11,14,17-18,21-26H2,1-5H3,(H,45,54)(H,46,55)(H,47,56)(H,48,57)(H,59,60)(H2,49,50,61)
+CH$LINK: PUBCHEM CID:146684876
+CH$LINK: INCHIKEY XTDLZZLFKOTTLJ-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 93-935
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.736 min
+MS$FOCUSED_ION: BASE_PEAK 896.4238
+MS$FOCUSED_ION: PRECURSOR_M/Z 896.4234
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0a4i-0145510920-6da568538724b13f85ff
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  113.0355 C4H5N2O2- 1 113.0357 -1.04
+  130.0869 C6H12NO2- 1 130.0874 -3.2
+  155.082 C7H11N2O2- 1 155.0826 -3.61
+  196.1081 C7H12N6O- 3 196.1078 1.28
+  262.1185 C11H14N6O2- 4 262.1184 0.51
+  267.1089 C17H17NS- 6 267.1087 0.68
+  310.1224 C20H14N4- 7 310.1224 -0.04
+  351.1712 C21H23N2O3- 5 351.1714 -0.51
+  359.2081 C11H31N6O5S- 6 359.2082 -0.32
+  430.2088 C13H32N7O7S- 8 430.2089 -0.43
+  543.293 C41H37N- 12 543.2931 -0.27
+  693.3082 C40H45N4O5S- 11 693.3116 -4.95
+  705.3066 C36H45N6O7S- 9 705.3076 -1.4
+  706.3098 C43H42N6O2S- 7 706.3095 0.33
+  818.392 C42H56N7O8S- 3 818.3917 0.46
+PK$NUM_PEAK: 15
+PK$PEAK: m/z int. rel.int.
+  113.0355 34550.9 31
+  130.0869 13649.7 12
+  155.082 92203.1 83
+  196.1081 39858.7 36
+  262.1185 264474.3 239
+  267.1089 334667.7 303
+  310.1224 119806.5 108
+  351.1712 93193.1 84
+  359.2081 493820.4 447
+  430.2088 719134.1 652
+  543.293 150756.2 136
+  693.3082 47032.4 42
+  705.3066 1101325.1 999
+  706.3098 60353.5 54
+  818.392 323303.2 293
+//
diff --git a/Eawag/MSBNK-EAWAG-ED075055.txt b/Eawag/MSBNK-EAWAG-ED075055.txt
new file mode 100644
index 0000000000..8e8b357076
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED075055.txt
@@ -0,0 +1,72 @@
+ACCESSION: MSBNK-EAWAG-ED075055
+RECORD_TITLE: Nodulapeptin C; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1016/j.chembiol.2010.01.017
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 750
+CH$NAME: Nodulapeptin C
+CH$NAME: 2-(3-(3-(acetoxymethyl)-6-(4-hydroxyphenethyl)-7-methyl-12-(2-(methylthio)ethyl)-2,5,8,11,14-pentaoxo-9-phenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)-3-methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C44H63N7O11S
+CH$EXACT_MASS: 897.4306268
+CH$SMILES: O=C(N(C(CCC1=CC=C(O)C=C1)C(NC(COC(C)=O)C2=O)=O)C)C(NC(C(CCSC)NC(C(CCCCN2)NC(NC(C(CC)C)C(O)=O)=O)=O)=O)CCC3=CC=CC=C3
+CH$IUPAC: InChI=1S/C44H63N7O11S/c1-6-27(2)37(43(59)60)50-44(61)49-32-14-10-11-24-45-38(54)35(26-62-28(3)52)48-41(57)36(22-18-30-15-19-31(53)20-16-30)51(4)42(58)34(21-17-29-12-8-7-9-13-29)47-40(56)33(23-25-63-5)46-39(32)55/h7-9,12-13,15-16,19-20,27,32-37,53H,6,10-11,14,17-18,21-26H2,1-5H3,(H,45,54)(H,46,55)(H,47,56)(H,48,57)(H,59,60)(H2,49,50,61)
+CH$LINK: PUBCHEM CID:146684876
+CH$LINK: INCHIKEY XTDLZZLFKOTTLJ-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 93-935
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.736 min
+MS$FOCUSED_ION: BASE_PEAK 896.4238
+MS$FOCUSED_ION: PRECURSOR_M/Z 896.4234
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0cdj-0894000000-c6e35a0ec0ebe4daa7c0
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  111.0198 C4H3N2O2- 1 111.02 -1.57
+  113.0356 C4H5N2O2- 1 113.0357 -0.43
+  130.0872 C6H12NO2- 1 130.0874 -1.32
+  139.0512 C6H7N2O2- 1 139.0513 -0.57
+  153.0667 C7H9N2O2- 1 153.067 -1.33
+  155.0823 C7H11N2O2- 1 155.0826 -1.93
+  170.0927 C7H12N3O2- 2 170.0935 -4.49
+  195.1002 CH17N5O4S- 3 195.1007 -2.24
+  223.1195 C2H19N6O4S- 4 223.1194 0.54
+  247.1078 C11H13N5O2- 5 247.1075 1.38
+  262.1184 C11H14N6O2- 3 262.1184 0.04
+  266.1009 C17H16NS- 6 266.1009 -0.08
+  267.1088 C17H17NS- 6 267.1087 0.22
+  347.2092 C17H31O7- 9 347.2075 4.83
+  359.2081 C11H31N6O5S- 6 359.2082 -0.32
+PK$NUM_PEAK: 15
+PK$PEAK: m/z int. rel.int.
+  111.0198 75362.4 220
+  113.0356 246458.3 722
+  130.0872 51469.8 150
+  139.0512 47856.1 140
+  153.0667 47797.2 140
+  155.0823 110828.8 324
+  170.0927 41502.7 121
+  195.1002 74652.9 218
+  223.1195 48333.9 141
+  247.1078 151293.3 443
+  262.1184 128109.8 375
+  266.1009 153141.2 448
+  267.1088 217778.5 638
+  347.2092 21488.3 62
+  359.2081 340850.6 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED075056.txt b/Eawag/MSBNK-EAWAG-ED075056.txt
new file mode 100644
index 0000000000..968233bf24
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED075056.txt
@@ -0,0 +1,74 @@
+ACCESSION: MSBNK-EAWAG-ED075056
+RECORD_TITLE: Nodulapeptin C; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1016/j.chembiol.2010.01.017
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 750
+CH$NAME: Nodulapeptin C
+CH$NAME: 2-(3-(3-(acetoxymethyl)-6-(4-hydroxyphenethyl)-7-methyl-12-(2-(methylthio)ethyl)-2,5,8,11,14-pentaoxo-9-phenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)-3-methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C44H63N7O11S
+CH$EXACT_MASS: 897.4306268
+CH$SMILES: O=C(N(C(CCC1=CC=C(O)C=C1)C(NC(COC(C)=O)C2=O)=O)C)C(NC(C(CCSC)NC(C(CCCCN2)NC(NC(C(CC)C)C(O)=O)=O)=O)=O)CCC3=CC=CC=C3
+CH$IUPAC: InChI=1S/C44H63N7O11S/c1-6-27(2)37(43(59)60)50-44(61)49-32-14-10-11-24-45-38(54)35(26-62-28(3)52)48-41(57)36(22-18-30-15-19-31(53)20-16-30)51(4)42(58)34(21-17-29-12-8-7-9-13-29)47-40(56)33(23-25-63-5)46-39(32)55/h7-9,12-13,15-16,19-20,27,32-37,53H,6,10-11,14,17-18,21-26H2,1-5H3,(H,45,54)(H,46,55)(H,47,56)(H,48,57)(H,59,60)(H2,49,50,61)
+CH$LINK: PUBCHEM CID:146684876
+CH$LINK: INCHIKEY XTDLZZLFKOTTLJ-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 93-935
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.736 min
+MS$FOCUSED_ION: BASE_PEAK 896.4238
+MS$FOCUSED_ION: PRECURSOR_M/Z 896.4234
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-03dj-0920000000-170409ce6d8d829cec49
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  99.0201 C3H3N2O2- 1 99.02 1.29
+  111.0198 C4H3N2O2- 1 111.02 -1.36
+  113.0356 C4H5N2O2- 1 113.0357 -0.63
+  119.05 C8H7O- 2 119.0502 -1.74
+  123.0566 C6H7N2O- 2 123.0564 1.35
+  127.0511 C5H7N2O2- 1 127.0513 -1.51
+  130.087 C6H12NO2- 1 130.0874 -2.73
+  139.0507 C6H7N2O2- 1 139.0513 -4.41
+  151.051 C7H7N2O2- 1 151.0513 -2.03
+  153.0667 C7H9N2O2- 1 153.067 -1.73
+  170.0932 C7H12N3O2- 1 170.0935 -1.89
+  195.1003 CH17N5O4S- 2 195.1007 -1.85
+  247.1078 C11H13N5O2- 5 247.1075 1.38
+  266.101 C17H16NS- 6 266.1009 0.38
+  267.1091 C17H17NS- 6 267.1087 1.36
+  443.1751 C28H21N5O- 10 443.1752 -0.24
+PK$NUM_PEAK: 16
+PK$PEAK: m/z int. rel.int.
+  99.0201 25237.9 72
+  111.0198 148045.1 425
+  113.0356 347290.9 999
+  119.05 65323.3 187
+  123.0566 25290.5 72
+  127.0511 60634.9 174
+  130.087 61503.9 176
+  139.0507 98037.6 282
+  151.051 30289.4 87
+  153.0667 55715.7 160
+  170.0932 37079.7 106
+  195.1003 107471 309
+  247.1078 174188.2 501
+  266.101 71188.2 204
+  267.1091 47844.2 137
+  443.1751 69306.7 199
+//
diff --git a/Eawag/MSBNK-EAWAG-ED075057.txt b/Eawag/MSBNK-EAWAG-ED075057.txt
new file mode 100644
index 0000000000..58dd87763f
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED075057.txt
@@ -0,0 +1,64 @@
+ACCESSION: MSBNK-EAWAG-ED075057
+RECORD_TITLE: Nodulapeptin C; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1016/j.chembiol.2010.01.017
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 750
+CH$NAME: Nodulapeptin C
+CH$NAME: 2-(3-(3-(acetoxymethyl)-6-(4-hydroxyphenethyl)-7-methyl-12-(2-(methylthio)ethyl)-2,5,8,11,14-pentaoxo-9-phenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)-3-methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C44H63N7O11S
+CH$EXACT_MASS: 897.4306268
+CH$SMILES: O=C(N(C(CCC1=CC=C(O)C=C1)C(NC(COC(C)=O)C2=O)=O)C)C(NC(C(CCSC)NC(C(CCCCN2)NC(NC(C(CC)C)C(O)=O)=O)=O)=O)CCC3=CC=CC=C3
+CH$IUPAC: InChI=1S/C44H63N7O11S/c1-6-27(2)37(43(59)60)50-44(61)49-32-14-10-11-24-45-38(54)35(26-62-28(3)52)48-41(57)36(22-18-30-15-19-31(53)20-16-30)51(4)42(58)34(21-17-29-12-8-7-9-13-29)47-40(56)33(23-25-63-5)46-39(32)55/h7-9,12-13,15-16,19-20,27,32-37,53H,6,10-11,14,17-18,21-26H2,1-5H3,(H,45,54)(H,46,55)(H,47,56)(H,48,57)(H,59,60)(H2,49,50,61)
+CH$LINK: PUBCHEM CID:146684876
+CH$LINK: INCHIKEY XTDLZZLFKOTTLJ-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 93-935
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.736 min
+MS$FOCUSED_ION: BASE_PEAK 896.4238
+MS$FOCUSED_ION: PRECURSOR_M/Z 896.4234
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-03dj-0900000000-c05f189b1d0d48e23ec7
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  111.0199 C4H3N2O2- 1 111.02 -1.3
+  113.0355 C4H5N2O2- 1 113.0357 -1.38
+  119.0501 C8H7O- 2 119.0502 -1.16
+  127.0511 C5H7N2O2- 1 127.0513 -1.81
+  130.0869 C6H12NO2- 1 130.0874 -3.43
+  139.0512 C6H7N2O2- 1 139.0513 -1.01
+  151.0511 C7H7N2O2- 1 151.0513 -1.32
+  153.0669 C7H9N2O2- 1 153.067 -0.63
+  170.0932 C7H12N3O2- 1 170.0935 -1.89
+  195.1005 CH17N5O4S- 3 195.1007 -0.91
+  196.1081 C7H12N6O- 3 196.1078 1.28
+PK$NUM_PEAK: 11
+PK$PEAK: m/z int. rel.int.
+  111.0199 142122.9 549
+  113.0355 258529.1 999
+  119.0501 84536 326
+  127.0511 87281 337
+  130.0869 66248.8 255
+  139.0512 80586.6 311
+  151.0511 28712.2 110
+  153.0669 41411.8 160
+  170.0932 26748.7 103
+  195.1005 87549.3 338
+  196.1081 122597.7 473
+//
diff --git a/Eawag/MSBNK-EAWAG-ED075058.txt b/Eawag/MSBNK-EAWAG-ED075058.txt
new file mode 100644
index 0000000000..6bc4d0174a
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED075058.txt
@@ -0,0 +1,64 @@
+ACCESSION: MSBNK-EAWAG-ED075058
+RECORD_TITLE: Nodulapeptin C; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1016/j.chembiol.2010.01.017
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 750
+CH$NAME: Nodulapeptin C
+CH$NAME: 2-(3-(3-(acetoxymethyl)-6-(4-hydroxyphenethyl)-7-methyl-12-(2-(methylthio)ethyl)-2,5,8,11,14-pentaoxo-9-phenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)-3-methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C44H63N7O11S
+CH$EXACT_MASS: 897.4306268
+CH$SMILES: O=C(N(C(CCC1=CC=C(O)C=C1)C(NC(COC(C)=O)C2=O)=O)C)C(NC(C(CCSC)NC(C(CCCCN2)NC(NC(C(CC)C)C(O)=O)=O)=O)=O)CCC3=CC=CC=C3
+CH$IUPAC: InChI=1S/C44H63N7O11S/c1-6-27(2)37(43(59)60)50-44(61)49-32-14-10-11-24-45-38(54)35(26-62-28(3)52)48-41(57)36(22-18-30-15-19-31(53)20-16-30)51(4)42(58)34(21-17-29-12-8-7-9-13-29)47-40(56)33(23-25-63-5)46-39(32)55/h7-9,12-13,15-16,19-20,27,32-37,53H,6,10-11,14,17-18,21-26H2,1-5H3,(H,45,54)(H,46,55)(H,47,56)(H,48,57)(H,59,60)(H2,49,50,61)
+CH$LINK: PUBCHEM CID:146684876
+CH$LINK: INCHIKEY XTDLZZLFKOTTLJ-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 93-935
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.736 min
+MS$FOCUSED_ION: BASE_PEAK 896.4238
+MS$FOCUSED_ION: PRECURSOR_M/Z 896.4234
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-03di-0900000000-1b532d0158dc15e8571b
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  111.02 C4H3N2O2- 1 111.02 -0.33
+  113.0355 C4H5N2O2- 1 113.0357 -1.11
+  119.05 C8H7O- 2 119.0502 -1.87
+  123.0566 C6H7N2O- 2 123.0564 1.97
+  125.0353 C5H5N2O2- 1 125.0357 -2.42
+  127.0511 C5H7N2O2- 1 127.0513 -1.93
+  130.0871 C6H12NO2- 1 130.0874 -2.03
+  139.051 C6H7N2O2- 1 139.0513 -2.33
+  151.0511 C7H7N2O2- 1 151.0513 -1.63
+  194.0928 CH16N5O4S- 3 194.0928 -0.03
+  195.1004 CH17N5O4S- 3 195.1007 -1.53
+PK$NUM_PEAK: 11
+PK$PEAK: m/z int. rel.int.
+  111.02 149589.2 803
+  113.0355 185928.7 999
+  119.05 84576 454
+  123.0566 24275.3 130
+  125.0353 19391 104
+  127.0511 71038.9 381
+  130.0871 39926.1 214
+  139.051 58109.7 312
+  151.0511 31071 166
+  194.0928 23105.2 124
+  195.1004 30217.9 162
+//
diff --git a/Eawag/MSBNK-EAWAG-ED075059.txt b/Eawag/MSBNK-EAWAG-ED075059.txt
new file mode 100644
index 0000000000..90a06b4f75
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED075059.txt
@@ -0,0 +1,56 @@
+ACCESSION: MSBNK-EAWAG-ED075059
+RECORD_TITLE: Nodulapeptin C; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1016/j.chembiol.2010.01.017
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 750
+CH$NAME: Nodulapeptin C
+CH$NAME: 2-(3-(3-(acetoxymethyl)-6-(4-hydroxyphenethyl)-7-methyl-12-(2-(methylthio)ethyl)-2,5,8,11,14-pentaoxo-9-phenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)-3-methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C44H63N7O11S
+CH$EXACT_MASS: 897.4306268
+CH$SMILES: O=C(N(C(CCC1=CC=C(O)C=C1)C(NC(COC(C)=O)C2=O)=O)C)C(NC(C(CCSC)NC(C(CCCCN2)NC(NC(C(CC)C)C(O)=O)=O)=O)=O)CCC3=CC=CC=C3
+CH$IUPAC: InChI=1S/C44H63N7O11S/c1-6-27(2)37(43(59)60)50-44(61)49-32-14-10-11-24-45-38(54)35(26-62-28(3)52)48-41(57)36(22-18-30-15-19-31(53)20-16-30)51(4)42(58)34(21-17-29-12-8-7-9-13-29)47-40(56)33(23-25-63-5)46-39(32)55/h7-9,12-13,15-16,19-20,27,32-37,53H,6,10-11,14,17-18,21-26H2,1-5H3,(H,45,54)(H,46,55)(H,47,56)(H,48,57)(H,59,60)(H2,49,50,61)
+CH$LINK: PUBCHEM CID:146684876
+CH$LINK: INCHIKEY XTDLZZLFKOTTLJ-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 93-935
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.736 min
+MS$FOCUSED_ION: BASE_PEAK 896.4238
+MS$FOCUSED_ION: PRECURSOR_M/Z 896.4234
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-03di-0900000000-369b787aab087c1108ac
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  111.0199 C4H3N2O2- 1 111.02 -1.16
+  113.0356 C4H5N2O2- 1 113.0357 -0.57
+  119.0501 C8H7O- 2 119.0502 -1.1
+  127.0513 C5H7N2O2- 1 127.0513 0.3
+  130.0872 C6H12NO2- 1 130.0874 -1.32
+  139.0513 C6H7N2O2- 2 139.0513 0.19
+  151.0511 C7H7N2O2- 1 151.0513 -1.63
+PK$NUM_PEAK: 7
+PK$PEAK: m/z int. rel.int.
+  111.0199 98384.5 866
+  113.0356 113442.6 999
+  119.0501 85340.2 751
+  127.0513 33457.2 294
+  130.0872 34943.7 307
+  139.0513 31474.5 277
+  151.0511 13201.9 116
+//
diff --git a/Eawag/MSBNK-EAWAG-ED075201.txt b/Eawag/MSBNK-EAWAG-ED075201.txt
new file mode 100644
index 0000000000..ec0597f8e5
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED075201.txt
@@ -0,0 +1,54 @@
+ACCESSION: MSBNK-EAWAG-ED075201
+RECORD_TITLE: Nodulapeptin 881a; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md11010001
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 752
+CH$NAME: Nodulapeptin 881a
+CH$NAME: 2-(3-(3-(acetoxymethyl)-7-methyl-12-(2-(methylthio)ethyl)-2,5,8,11,14-pentaoxo-6,9-diphenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)-3-methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C44H63N7O10S
+CH$EXACT_MASS: 881.4357122
+CH$SMILES: O=C(N(C(CCC1=CC=CC=C1)C(NC(COC(C)=O)C2=O)=O)C)C(NC(C(CCSC)NC(C(CCCCN2)NC(NC(C(CC)C)C(O)=O)=O)=O)=O)CCC3=CC=CC=C3
+CH$IUPAC: InChI=1S/C44H63N7O10S/c1-6-28(2)37(43(58)59)50-44(60)49-32-19-13-14-25-45-38(53)35(27-61-29(3)52)48-41(56)36(23-21-31-17-11-8-12-18-31)51(4)42(57)34(22-20-30-15-9-7-10-16-30)47-40(55)33(24-26-62-5)46-39(32)54/h7-12,15-18,28,32-37H,6,13-14,19-27H2,1-5H3,(H,45,53)(H,46,54)(H,47,55)(H,48,56)(H,58,59)(H2,49,50,60)
+CH$LINK: PUBCHEM CID:146684896
+CH$LINK: INCHIKEY COYVFWSNQRUPIO-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 92-921
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 12.358 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 882.443
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-001i-0000000090-52b224ce1b3eaf580360
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  725.3693 C37H53N6O7S+ 9 725.3691 0.26
+  822.4218 C42H60N7O8S+ 2 822.4219 -0.12
+  823.4213 C43H61N5O9S+ 1 823.4185 3.5
+  854.4477 C43H64N7O9S+ 1 854.4481 -0.49
+  864.4322 C44H62N7O9S+ 1 864.4324 -0.24
+  882.4422 C44H64N7O10S+ 1 882.443 -0.92
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  725.3693 250298.3 55
+  822.4218 1109222.9 244
+  823.4213 73301.9 16
+  854.4477 182970.4 40
+  864.4322 153862.3 33
+  882.4422 4529234.5 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED075202.txt b/Eawag/MSBNK-EAWAG-ED075202.txt
new file mode 100644
index 0000000000..4f83600cad
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED075202.txt
@@ -0,0 +1,58 @@
+ACCESSION: MSBNK-EAWAG-ED075202
+RECORD_TITLE: Nodulapeptin 881a; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md11010001
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 752
+CH$NAME: Nodulapeptin 881a
+CH$NAME: 2-(3-(3-(acetoxymethyl)-7-methyl-12-(2-(methylthio)ethyl)-2,5,8,11,14-pentaoxo-6,9-diphenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)-3-methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C44H63N7O10S
+CH$EXACT_MASS: 881.4357122
+CH$SMILES: O=C(N(C(CCC1=CC=CC=C1)C(NC(COC(C)=O)C2=O)=O)C)C(NC(C(CCSC)NC(C(CCCCN2)NC(NC(C(CC)C)C(O)=O)=O)=O)=O)CCC3=CC=CC=C3
+CH$IUPAC: InChI=1S/C44H63N7O10S/c1-6-28(2)37(43(58)59)50-44(60)49-32-19-13-14-25-45-38(53)35(27-61-29(3)52)48-41(56)36(23-21-31-17-11-8-12-18-31)51(4)42(57)34(22-20-30-15-9-7-10-16-30)47-40(55)33(24-26-62-5)46-39(32)54/h7-12,15-18,28,32-37H,6,13-14,19-27H2,1-5H3,(H,45,53)(H,46,54)(H,47,55)(H,48,56)(H,58,59)(H2,49,50,60)
+CH$LINK: PUBCHEM CID:146684896
+CH$LINK: INCHIKEY COYVFWSNQRUPIO-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 92-921
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 12.358 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 882.443
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0089-0000000390-96285d947963d1753c13
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  305.1496 C16H21N2O4+ 6 305.1496 0
+  451.2552 C22H35N4O6+ 9 451.2551 0.27
+  721.3595 C42H49N4O7+ 8 721.3596 -0.16
+  725.3696 C37H53N6O7S+ 9 725.3691 0.68
+  751.3484 C38H51N6O8S+ 7 751.3484 0.08
+  822.4222 C42H60N7O8S+ 2 822.4219 0.47
+  854.4493 C43H64N7O9S+ 1 854.4481 1.44
+  882.4432 C44H64N7O10S+ 1 882.443 0.19
+PK$NUM_PEAK: 8
+PK$PEAK: m/z int. rel.int.
+  305.1496 85748.4 72
+  451.2552 32746.4 27
+  721.3595 300673.1 255
+  725.3696 349437.7 296
+  751.3484 216616.1 183
+  822.4222 664349.2 564
+  854.4493 332751.2 282
+  882.4432 1176124.2 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED075203.txt b/Eawag/MSBNK-EAWAG-ED075203.txt
new file mode 100644
index 0000000000..1b1c4ab4c0
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED075203.txt
@@ -0,0 +1,60 @@
+ACCESSION: MSBNK-EAWAG-ED075203
+RECORD_TITLE: Nodulapeptin 881a; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md11010001
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 752
+CH$NAME: Nodulapeptin 881a
+CH$NAME: 2-(3-(3-(acetoxymethyl)-7-methyl-12-(2-(methylthio)ethyl)-2,5,8,11,14-pentaoxo-6,9-diphenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)-3-methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C44H63N7O10S
+CH$EXACT_MASS: 881.4357122
+CH$SMILES: O=C(N(C(CCC1=CC=CC=C1)C(NC(COC(C)=O)C2=O)=O)C)C(NC(C(CCSC)NC(C(CCCCN2)NC(NC(C(CC)C)C(O)=O)=O)=O)=O)CCC3=CC=CC=C3
+CH$IUPAC: InChI=1S/C44H63N7O10S/c1-6-28(2)37(43(58)59)50-44(60)49-32-19-13-14-25-45-38(53)35(27-61-29(3)52)48-41(56)36(23-21-31-17-11-8-12-18-31)51(4)42(57)34(22-20-30-15-9-7-10-16-30)47-40(55)33(24-26-62-5)46-39(32)54/h7-12,15-18,28,32-37H,6,13-14,19-27H2,1-5H3,(H,45,53)(H,46,54)(H,47,55)(H,48,56)(H,58,59)(H2,49,50,60)
+CH$LINK: PUBCHEM CID:146684896
+CH$LINK: INCHIKEY COYVFWSNQRUPIO-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 92-921
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 12.358 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 882.443
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-00dj-0616400920-f447893d952e22f253e5
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  148.1121 C10H14N+ 3 148.1121 -0.03
+  204.102 C12H14NO2+ 4 204.1019 0.45
+  213.1237 C10H17N2O3+ 3 213.1234 1.45
+  305.1497 C16H21N2O4+ 6 305.1496 0.5
+  337.1905 C13H29N4O4S+ 7 337.1904 0.19
+  477.235 C17H39N3O10S+ 9 477.2351 -0.15
+  721.3598 C42H49N4O7+ 8 721.3596 0.34
+  723.3543 C39H53N3O8S+ 9 723.3548 -0.71
+  822.4204 C42H60N7O8S+ 2 822.4219 -1.75
+PK$NUM_PEAK: 9
+PK$PEAK: m/z int. rel.int.
+  148.1121 318578 999
+  204.102 50941.3 159
+  213.1237 48062.4 150
+  305.1497 183189.6 574
+  337.1905 118089.4 370
+  477.235 215160.1 674
+  721.3598 271787.7 852
+  723.3543 177148.7 555
+  822.4204 112554.4 352
+//
diff --git a/Eawag/MSBNK-EAWAG-ED075204.txt b/Eawag/MSBNK-EAWAG-ED075204.txt
new file mode 100644
index 0000000000..33c0c0d090
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED075204.txt
@@ -0,0 +1,70 @@
+ACCESSION: MSBNK-EAWAG-ED075204
+RECORD_TITLE: Nodulapeptin 881a; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md11010001
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 752
+CH$NAME: Nodulapeptin 881a
+CH$NAME: 2-(3-(3-(acetoxymethyl)-7-methyl-12-(2-(methylthio)ethyl)-2,5,8,11,14-pentaoxo-6,9-diphenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)-3-methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C44H63N7O10S
+CH$EXACT_MASS: 881.4357122
+CH$SMILES: O=C(N(C(CCC1=CC=CC=C1)C(NC(COC(C)=O)C2=O)=O)C)C(NC(C(CCSC)NC(C(CCCCN2)NC(NC(C(CC)C)C(O)=O)=O)=O)=O)CCC3=CC=CC=C3
+CH$IUPAC: InChI=1S/C44H63N7O10S/c1-6-28(2)37(43(58)59)50-44(60)49-32-19-13-14-25-45-38(53)35(27-61-29(3)52)48-41(56)36(23-21-31-17-11-8-12-18-31)51(4)42(57)34(22-20-30-15-9-7-10-16-30)47-40(55)33(24-26-62-5)46-39(32)54/h7-12,15-18,28,32-37H,6,13-14,19-27H2,1-5H3,(H,45,53)(H,46,54)(H,47,55)(H,48,56)(H,58,59)(H2,49,50,60)
+CH$LINK: PUBCHEM CID:146684896
+CH$LINK: INCHIKEY COYVFWSNQRUPIO-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 92-921
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 12.358 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 882.443
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0002-0925400000-6cfcc9d1802500e0d119
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  148.112 C10H14N+ 3 148.1121 -0.24
+  171.1131 C8H15N2O2+ 2 171.1128 1.86
+  181.0974 C9H13N2O2+ 3 181.0972 1.31
+  204.1022 C12H14NO2+ 4 204.1019 1.42
+  213.1238 C4H23NO6S+ 3 213.1241 -1.43
+  265.1371 C14H21N2OS+ 4 265.1369 0.54
+  277.1548 CH23N7O9+ 4 277.1552 -1.18
+  305.1498 C16H21N2O4+ 5 305.1496 0.7
+  337.1904 C13H29N4O4S+ 7 337.1904 -0.08
+  355.1433 C15H23N4O4S+ 7 355.1435 -0.3
+  355.1984 C10H33N3O8S+ 6 355.1983 0.4
+  369.2142 C9H33N6O7S+ 7 369.2126 4.44
+  477.2348 C17H39N3O10S+ 10 477.2351 -0.66
+  490.2492 C26H38N2O5S+ 8 490.2496 -0.77
+PK$NUM_PEAK: 14
+PK$PEAK: m/z int. rel.int.
+  148.112 692089.7 999
+  171.1131 27512.2 39
+  181.0974 31047 44
+  204.1022 66603.9 96
+  213.1238 73135.6 105
+  265.1371 60657.8 87
+  277.1548 30022.5 43
+  305.1498 200305.9 289
+  337.1904 59727.3 86
+  355.1433 49270.7 71
+  355.1984 82980.9 119
+  369.2142 30417.3 43
+  477.2348 322809.8 465
+  490.2492 35897.3 51
+//
diff --git a/Eawag/MSBNK-EAWAG-ED075205.txt b/Eawag/MSBNK-EAWAG-ED075205.txt
new file mode 100644
index 0000000000..979bbbf57a
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED075205.txt
@@ -0,0 +1,70 @@
+ACCESSION: MSBNK-EAWAG-ED075205
+RECORD_TITLE: Nodulapeptin 881a; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md11010001
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 752
+CH$NAME: Nodulapeptin 881a
+CH$NAME: 2-(3-(3-(acetoxymethyl)-7-methyl-12-(2-(methylthio)ethyl)-2,5,8,11,14-pentaoxo-6,9-diphenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)-3-methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C44H63N7O10S
+CH$EXACT_MASS: 881.4357122
+CH$SMILES: O=C(N(C(CCC1=CC=CC=C1)C(NC(COC(C)=O)C2=O)=O)C)C(NC(C(CCSC)NC(C(CCCCN2)NC(NC(C(CC)C)C(O)=O)=O)=O)=O)CCC3=CC=CC=C3
+CH$IUPAC: InChI=1S/C44H63N7O10S/c1-6-28(2)37(43(58)59)50-44(60)49-32-19-13-14-25-45-38(53)35(27-61-29(3)52)48-41(56)36(23-21-31-17-11-8-12-18-31)51(4)42(57)34(22-20-30-15-9-7-10-16-30)47-40(55)33(24-26-62-5)46-39(32)54/h7-12,15-18,28,32-37H,6,13-14,19-27H2,1-5H3,(H,45,53)(H,46,54)(H,47,55)(H,48,56)(H,58,59)(H2,49,50,60)
+CH$LINK: PUBCHEM CID:146684896
+CH$LINK: INCHIKEY COYVFWSNQRUPIO-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 92-921
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 12.358 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 882.443
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0002-0910000000-2229d5d7d035deefa62a
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  117.07 C9H9+ 1 117.0699 1.24
+  129.1024 C6H13N2O+ 2 129.1022 1.24
+  134.0965 C9H12N+ 2 134.0964 0.61
+  148.112 C10H14N+ 2 148.1121 -0.34
+  153.1021 C8H13N2O+ 2 153.1022 -0.65
+  171.1128 C8H15N2O2+ 3 171.1128 -0.28
+  195.1125 C10H15N2O2+ 2 195.1128 -1.48
+  213.1239 C4H23NO6S+ 2 213.1241 -0.57
+  220.1157 C13H18NS+ 4 220.1154 0.98
+  277.1543 CH23N7O9+ 5 277.1552 -3.05
+  279.146 C7H25N3O6S+ 6 279.1459 0.36
+  305.1494 C16H21N2O4+ 6 305.1496 -0.6
+  321.1561 C15H21N4O4+ 5 321.1557 1.07
+  355.1981 C10H33N3O8S+ 7 355.1983 -0.63
+PK$NUM_PEAK: 14
+PK$PEAK: m/z int. rel.int.
+  117.07 123135.3 100
+  129.1024 35504.5 29
+  134.0965 57336 46
+  148.112 1221847.8 999
+  153.1021 134090.5 109
+  171.1128 67695.7 55
+  195.1125 96727.8 79
+  213.1239 84071.6 68
+  220.1157 37466.1 30
+  277.1543 44318.5 36
+  279.146 44110.9 36
+  305.1494 57009.6 46
+  321.1561 56737.6 46
+  355.1981 27360.5 22
+//
diff --git a/Eawag/MSBNK-EAWAG-ED075206.txt b/Eawag/MSBNK-EAWAG-ED075206.txt
new file mode 100644
index 0000000000..47e19275fd
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED075206.txt
@@ -0,0 +1,68 @@
+ACCESSION: MSBNK-EAWAG-ED075206
+RECORD_TITLE: Nodulapeptin 881a; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md11010001
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 752
+CH$NAME: Nodulapeptin 881a
+CH$NAME: 2-(3-(3-(acetoxymethyl)-7-methyl-12-(2-(methylthio)ethyl)-2,5,8,11,14-pentaoxo-6,9-diphenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)-3-methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C44H63N7O10S
+CH$EXACT_MASS: 881.4357122
+CH$SMILES: O=C(N(C(CCC1=CC=CC=C1)C(NC(COC(C)=O)C2=O)=O)C)C(NC(C(CCSC)NC(C(CCCCN2)NC(NC(C(CC)C)C(O)=O)=O)=O)=O)CCC3=CC=CC=C3
+CH$IUPAC: InChI=1S/C44H63N7O10S/c1-6-28(2)37(43(58)59)50-44(60)49-32-19-13-14-25-45-38(53)35(27-61-29(3)52)48-41(56)36(23-21-31-17-11-8-12-18-31)51(4)42(57)34(22-20-30-15-9-7-10-16-30)47-40(55)33(24-26-62-5)46-39(32)54/h7-12,15-18,28,32-37H,6,13-14,19-27H2,1-5H3,(H,45,53)(H,46,54)(H,47,55)(H,48,56)(H,58,59)(H2,49,50,60)
+CH$LINK: PUBCHEM CID:146684896
+CH$LINK: INCHIKEY COYVFWSNQRUPIO-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 92-921
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 12.358 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 882.443
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0002-0910000000-000c9863509dfbd78263
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  104.0528 C4H10NS+ 1 104.0528 -0.55
+  117.0699 C9H9+ 1 117.0699 0
+  129.1022 C6H13N2O+ 1 129.1022 -0.18
+  134.0964 C9H12N+ 2 134.0964 -0.19
+  148.112 C10H14N+ 2 148.1121 -0.34
+  153.1022 C8H13N2O+ 3 153.1022 -0.05
+  171.1129 C8H15N2O2+ 3 171.1128 0.7
+  181.0974 C9H13N2O2+ 3 181.0972 1.31
+  195.113 C10H15N2O2+ 3 195.1128 0.79
+  213.1235 C10H17N2O3+ 3 213.1234 0.52
+  238.1185 C11H16N3O3+ 3 238.1186 -0.57
+  265.1371 C14H21N2OS+ 4 265.1369 0.54
+  284.1242 C12H18N3O5+ 6 284.1241 0.51
+PK$NUM_PEAK: 13
+PK$PEAK: m/z int. rel.int.
+  104.0528 56860.8 44
+  117.0699 240909.1 187
+  129.1022 55254.2 42
+  134.0964 81543.5 63
+  148.112 1285490.4 999
+  153.1022 198155.5 153
+  171.1129 138071.6 107
+  181.0974 68788.6 53
+  195.113 166261.5 129
+  213.1235 31575.6 24
+  238.1185 54251.5 42
+  265.1371 31845.6 24
+  284.1242 313506.8 243
+//
diff --git a/Eawag/MSBNK-EAWAG-ED075207.txt b/Eawag/MSBNK-EAWAG-ED075207.txt
new file mode 100644
index 0000000000..0f598326c2
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED075207.txt
@@ -0,0 +1,68 @@
+ACCESSION: MSBNK-EAWAG-ED075207
+RECORD_TITLE: Nodulapeptin 881a; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md11010001
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 752
+CH$NAME: Nodulapeptin 881a
+CH$NAME: 2-(3-(3-(acetoxymethyl)-7-methyl-12-(2-(methylthio)ethyl)-2,5,8,11,14-pentaoxo-6,9-diphenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)-3-methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C44H63N7O10S
+CH$EXACT_MASS: 881.4357122
+CH$SMILES: O=C(N(C(CCC1=CC=CC=C1)C(NC(COC(C)=O)C2=O)=O)C)C(NC(C(CCSC)NC(C(CCCCN2)NC(NC(C(CC)C)C(O)=O)=O)=O)=O)CCC3=CC=CC=C3
+CH$IUPAC: InChI=1S/C44H63N7O10S/c1-6-28(2)37(43(58)59)50-44(60)49-32-19-13-14-25-45-38(53)35(27-61-29(3)52)48-41(56)36(23-21-31-17-11-8-12-18-31)51(4)42(57)34(22-20-30-15-9-7-10-16-30)47-40(55)33(24-26-62-5)46-39(32)54/h7-12,15-18,28,32-37H,6,13-14,19-27H2,1-5H3,(H,45,53)(H,46,54)(H,47,55)(H,48,56)(H,58,59)(H2,49,50,60)
+CH$LINK: PUBCHEM CID:146684896
+CH$LINK: INCHIKEY COYVFWSNQRUPIO-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 92-921
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 12.358 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 882.443
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0002-0910000000-577145aaa2fe75b8d238
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  104.0528 C4H10NS+ 1 104.0528 -0.4
+  117.0699 C9H9+ 1 117.0699 0.07
+  129.1024 C6H13N2O+ 2 129.1022 1.35
+  134.0962 C9H12N+ 2 134.0964 -1.44
+  136.0758 C8H10NO+ 2 136.0757 1.16
+  148.112 C10H14N+ 2 148.1121 -0.44
+  153.1023 C8H13N2O+ 3 153.1022 0.15
+  155.0821 CH17NO5S+ 2 155.0822 -0.62
+  171.1129 C8H15N2O2+ 3 171.1128 0.35
+  181.0972 C9H13N2O2+ 3 181.0972 0.13
+  195.1128 C10H15N2O2+ 3 195.1128 -0.07
+  238.1191 C11H16N3O3+ 4 238.1186 2.06
+  284.1241 C12H18N3O5+ 7 284.1241 0.08
+PK$NUM_PEAK: 13
+PK$PEAK: m/z int. rel.int.
+  104.0528 43000.8 52
+  117.0699 269050.6 328
+  129.1024 36059.7 44
+  134.0962 61168.9 74
+  136.0758 20798.7 25
+  148.112 818139.9 999
+  153.1023 181946.1 222
+  155.0821 23901.3 29
+  171.1129 110661.6 135
+  181.0972 47436.6 57
+  195.1128 180507 220
+  238.1191 53038.6 64
+  284.1241 164568.6 200
+//
diff --git a/Eawag/MSBNK-EAWAG-ED075208.txt b/Eawag/MSBNK-EAWAG-ED075208.txt
new file mode 100644
index 0000000000..53cb2ed890
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED075208.txt
@@ -0,0 +1,62 @@
+ACCESSION: MSBNK-EAWAG-ED075208
+RECORD_TITLE: Nodulapeptin 881a; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md11010001
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 752
+CH$NAME: Nodulapeptin 881a
+CH$NAME: 2-(3-(3-(acetoxymethyl)-7-methyl-12-(2-(methylthio)ethyl)-2,5,8,11,14-pentaoxo-6,9-diphenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)-3-methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C44H63N7O10S
+CH$EXACT_MASS: 881.4357122
+CH$SMILES: O=C(N(C(CCC1=CC=CC=C1)C(NC(COC(C)=O)C2=O)=O)C)C(NC(C(CCSC)NC(C(CCCCN2)NC(NC(C(CC)C)C(O)=O)=O)=O)=O)CCC3=CC=CC=C3
+CH$IUPAC: InChI=1S/C44H63N7O10S/c1-6-28(2)37(43(58)59)50-44(60)49-32-19-13-14-25-45-38(53)35(27-61-29(3)52)48-41(56)36(23-21-31-17-11-8-12-18-31)51(4)42(57)34(22-20-30-15-9-7-10-16-30)47-40(55)33(24-26-62-5)46-39(32)54/h7-12,15-18,28,32-37H,6,13-14,19-27H2,1-5H3,(H,45,53)(H,46,54)(H,47,55)(H,48,56)(H,58,59)(H2,49,50,60)
+CH$LINK: PUBCHEM CID:146684896
+CH$LINK: INCHIKEY COYVFWSNQRUPIO-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 92-921
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 12.358 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 882.443
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0002-0900000000-546bc65e3f40c5ea79d5
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  110.0601 C6H8NO+ 1 110.06 0.89
+  117.0698 C9H9+ 1 117.0699 -0.39
+  129.1022 C6H13N2O+ 1 129.1022 -0.06
+  134.0965 C9H12N+ 2 134.0964 0.26
+  136.0756 C8H10NO+ 2 136.0757 -0.75
+  148.1119 C10H14N+ 2 148.1121 -0.85
+  153.1021 C8H13N2O+ 2 153.1022 -0.75
+  181.0974 C9H13N2O2+ 3 181.0972 1.22
+  195.1127 C10H15N2O2+ 3 195.1128 -0.62
+  284.1243 C12H18N3O5+ 6 284.1241 0.73
+PK$NUM_PEAK: 10
+PK$PEAK: m/z int. rel.int.
+  110.0601 17076 38
+  117.0698 257050 573
+  129.1022 35584.3 79
+  134.0965 26863.6 59
+  136.0756 23993.1 53
+  148.1119 448087 999
+  153.1021 110890.3 247
+  181.0974 20333.9 45
+  195.1127 122189.6 272
+  284.1243 62076.6 138
+//
diff --git a/Eawag/MSBNK-EAWAG-ED075209.txt b/Eawag/MSBNK-EAWAG-ED075209.txt
new file mode 100644
index 0000000000..ce54309a01
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED075209.txt
@@ -0,0 +1,52 @@
+ACCESSION: MSBNK-EAWAG-ED075209
+RECORD_TITLE: Nodulapeptin 881a; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md11010001
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 752
+CH$NAME: Nodulapeptin 881a
+CH$NAME: 2-(3-(3-(acetoxymethyl)-7-methyl-12-(2-(methylthio)ethyl)-2,5,8,11,14-pentaoxo-6,9-diphenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)-3-methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C44H63N7O10S
+CH$EXACT_MASS: 881.4357122
+CH$SMILES: O=C(N(C(CCC1=CC=CC=C1)C(NC(COC(C)=O)C2=O)=O)C)C(NC(C(CCSC)NC(C(CCCCN2)NC(NC(C(CC)C)C(O)=O)=O)=O)=O)CCC3=CC=CC=C3
+CH$IUPAC: InChI=1S/C44H63N7O10S/c1-6-28(2)37(43(58)59)50-44(60)49-32-19-13-14-25-45-38(53)35(27-61-29(3)52)48-41(56)36(23-21-31-17-11-8-12-18-31)51(4)42(57)34(22-20-30-15-9-7-10-16-30)47-40(55)33(24-26-62-5)46-39(32)54/h7-12,15-18,28,32-37H,6,13-14,19-27H2,1-5H3,(H,45,53)(H,46,54)(H,47,55)(H,48,56)(H,58,59)(H2,49,50,60)
+CH$LINK: PUBCHEM CID:146684896
+CH$LINK: INCHIKEY COYVFWSNQRUPIO-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 92-921
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 12.358 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 882.443
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-00kb-0900000000-a7ee978622cd6bc5f841
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  117.0698 C9H9+ 1 117.0699 -0.26
+  148.1119 C10H14N+ 2 148.1121 -1.37
+  153.1024 C8H13N2O+ 2 153.1022 1.04
+  171.1133 C8H15N2O2+ 2 171.1128 3.11
+  195.1134 C10H15N2O2+ 2 195.1128 2.82
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  117.0698 201382.3 999
+  148.1119 190267.1 943
+  153.1024 68043.7 337
+  171.1133 24503.5 121
+  195.1134 35309.9 175
+//
diff --git a/Eawag/MSBNK-EAWAG-ED075251.txt b/Eawag/MSBNK-EAWAG-ED075251.txt
new file mode 100644
index 0000000000..9f11a32e94
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED075251.txt
@@ -0,0 +1,50 @@
+ACCESSION: MSBNK-EAWAG-ED075251
+RECORD_TITLE: Nodulapeptin 881a; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md11010001
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 752
+CH$NAME: Nodulapeptin 881a
+CH$NAME: 2-(3-(3-(acetoxymethyl)-7-methyl-12-(2-(methylthio)ethyl)-2,5,8,11,14-pentaoxo-6,9-diphenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)-3-methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C44H63N7O10S
+CH$EXACT_MASS: 881.4357122
+CH$SMILES: O=C(N(C(CCC1=CC=CC=C1)C(NC(COC(C)=O)C2=O)=O)C)C(NC(C(CCSC)NC(C(CCCCN2)NC(NC(C(CC)C)C(O)=O)=O)=O)=O)CCC3=CC=CC=C3
+CH$IUPAC: InChI=1S/C44H63N7O10S/c1-6-28(2)37(43(58)59)50-44(60)49-32-19-13-14-25-45-38(53)35(27-61-29(3)52)48-41(56)36(23-21-31-17-11-8-12-18-31)51(4)42(57)34(22-20-30-15-9-7-10-16-30)47-40(55)33(24-26-62-5)46-39(32)54/h7-12,15-18,28,32-37H,6,13-14,19-27H2,1-5H3,(H,45,53)(H,46,54)(H,47,55)(H,48,56)(H,58,59)(H2,49,50,60)
+CH$LINK: PUBCHEM CID:146684896
+CH$LINK: INCHIKEY COYVFWSNQRUPIO-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 91-919
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 12.345 min
+MS$FOCUSED_ION: BASE_PEAK 880.4288
+MS$FOCUSED_ION: PRECURSOR_M/Z 880.4284
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-01ot-0000001940-85f39a25b2f5b737aa80
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  689.3125 C36H45N6O6S- 11 689.3127 -0.33
+  749.3337 C38H49N6O8S- 7 749.3338 -0.2
+  802.3941 C42H56N7O7S- 4 802.3967 -3.29
+  862.4173 C44H60N7O9S- 1 862.4179 -0.71
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  689.3125 421436.8 212
+  749.3337 1979293.8 999
+  802.3941 25017.9 12
+  862.4173 1064411.1 537
+//
diff --git a/Eawag/MSBNK-EAWAG-ED075252.txt b/Eawag/MSBNK-EAWAG-ED075252.txt
new file mode 100644
index 0000000000..b628d27868
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED075252.txt
@@ -0,0 +1,52 @@
+ACCESSION: MSBNK-EAWAG-ED075252
+RECORD_TITLE: Nodulapeptin 881a; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md11010001
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 752
+CH$NAME: Nodulapeptin 881a
+CH$NAME: 2-(3-(3-(acetoxymethyl)-7-methyl-12-(2-(methylthio)ethyl)-2,5,8,11,14-pentaoxo-6,9-diphenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)-3-methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C44H63N7O10S
+CH$EXACT_MASS: 881.4357122
+CH$SMILES: O=C(N(C(CCC1=CC=CC=C1)C(NC(COC(C)=O)C2=O)=O)C)C(NC(C(CCSC)NC(C(CCCCN2)NC(NC(C(CC)C)C(O)=O)=O)=O)=O)CCC3=CC=CC=C3
+CH$IUPAC: InChI=1S/C44H63N7O10S/c1-6-28(2)37(43(58)59)50-44(60)49-32-19-13-14-25-45-38(53)35(27-61-29(3)52)48-41(56)36(23-21-31-17-11-8-12-18-31)51(4)42(57)34(22-20-30-15-9-7-10-16-30)47-40(55)33(24-26-62-5)46-39(32)54/h7-12,15-18,28,32-37H,6,13-14,19-27H2,1-5H3,(H,45,53)(H,46,54)(H,47,55)(H,48,56)(H,58,59)(H2,49,50,60)
+CH$LINK: PUBCHEM CID:146684896
+CH$LINK: INCHIKEY COYVFWSNQRUPIO-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 91-919
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 12.345 min
+MS$FOCUSED_ION: BASE_PEAK 880.4288
+MS$FOCUSED_ION: PRECURSOR_M/Z 880.4284
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-000j-0000009650-cb6919f7154373a65e6c
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  310.1234 C14H20N3O3S- 6 310.1231 0.98
+  689.3125 C36H45N6O6S- 11 689.3127 -0.24
+  749.3335 C38H49N6O8S- 7 749.3338 -0.36
+  802.3971 C42H56N7O7S- 3 802.3967 0.44
+  862.4171 C44H60N7O9S- 1 862.4179 -0.85
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  310.1234 35487.3 24
+  689.3125 1457130.4 999
+  749.3335 985278.8 675
+  802.3971 181167 124
+  862.4171 629307.1 431
+//
diff --git a/Eawag/MSBNK-EAWAG-ED075253.txt b/Eawag/MSBNK-EAWAG-ED075253.txt
new file mode 100644
index 0000000000..679bb93201
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED075253.txt
@@ -0,0 +1,58 @@
+ACCESSION: MSBNK-EAWAG-ED075253
+RECORD_TITLE: Nodulapeptin 881a; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md11010001
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 752
+CH$NAME: Nodulapeptin 881a
+CH$NAME: 2-(3-(3-(acetoxymethyl)-7-methyl-12-(2-(methylthio)ethyl)-2,5,8,11,14-pentaoxo-6,9-diphenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)-3-methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C44H63N7O10S
+CH$EXACT_MASS: 881.4357122
+CH$SMILES: O=C(N(C(CCC1=CC=CC=C1)C(NC(COC(C)=O)C2=O)=O)C)C(NC(C(CCSC)NC(C(CCCCN2)NC(NC(C(CC)C)C(O)=O)=O)=O)=O)CCC3=CC=CC=C3
+CH$IUPAC: InChI=1S/C44H63N7O10S/c1-6-28(2)37(43(58)59)50-44(60)49-32-19-13-14-25-45-38(53)35(27-61-29(3)52)48-41(56)36(23-21-31-17-11-8-12-18-31)51(4)42(57)34(22-20-30-15-9-7-10-16-30)47-40(55)33(24-26-62-5)46-39(32)54/h7-12,15-18,28,32-37H,6,13-14,19-27H2,1-5H3,(H,45,53)(H,46,54)(H,47,55)(H,48,56)(H,58,59)(H2,49,50,60)
+CH$LINK: PUBCHEM CID:146684896
+CH$LINK: INCHIKEY COYVFWSNQRUPIO-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 91-919
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 12.345 min
+MS$FOCUSED_ION: BASE_PEAK 880.4288
+MS$FOCUSED_ION: PRECURSOR_M/Z 880.4284
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-000i-0010209030-02716fddf9b2507164bc
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  155.0821 C7H11N2O2- 1 155.0826 -3.31
+  262.1189 C11H14N6O2- 4 262.1184 2.02
+  267.1089 C17H17NS- 6 267.1087 0.79
+  310.1218 C14H20N3O3S- 6 310.1231 -4.14
+  414.2139 C13H32N7O6S- 7 414.214 -0.25
+  689.3125 C36H45N6O6S- 11 689.3127 -0.24
+  802.3959 C42H56N7O7S- 3 802.3967 -1
+  862.418 C44H60N7O9S- 1 862.4179 0.14
+PK$NUM_PEAK: 8
+PK$PEAK: m/z int. rel.int.
+  155.0821 25144.2 15
+  262.1189 103284.5 65
+  267.1089 116324 73
+  310.1218 93066.1 58
+  414.2139 481605.9 304
+  689.3125 1579687.8 999
+  802.3959 369068.7 233
+  862.418 234189.3 148
+//
diff --git a/Eawag/MSBNK-EAWAG-ED075254.txt b/Eawag/MSBNK-EAWAG-ED075254.txt
new file mode 100644
index 0000000000..1684adfb79
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED075254.txt
@@ -0,0 +1,58 @@
+ACCESSION: MSBNK-EAWAG-ED075254
+RECORD_TITLE: Nodulapeptin 881a; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md11010001
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 752
+CH$NAME: Nodulapeptin 881a
+CH$NAME: 2-(3-(3-(acetoxymethyl)-7-methyl-12-(2-(methylthio)ethyl)-2,5,8,11,14-pentaoxo-6,9-diphenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)-3-methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C44H63N7O10S
+CH$EXACT_MASS: 881.4357122
+CH$SMILES: O=C(N(C(CCC1=CC=CC=C1)C(NC(COC(C)=O)C2=O)=O)C)C(NC(C(CCSC)NC(C(CCCCN2)NC(NC(C(CC)C)C(O)=O)=O)=O)=O)CCC3=CC=CC=C3
+CH$IUPAC: InChI=1S/C44H63N7O10S/c1-6-28(2)37(43(58)59)50-44(60)49-32-19-13-14-25-45-38(53)35(27-61-29(3)52)48-41(56)36(23-21-31-17-11-8-12-18-31)51(4)42(57)34(22-20-30-15-9-7-10-16-30)47-40(55)33(24-26-62-5)46-39(32)54/h7-12,15-18,28,32-37H,6,13-14,19-27H2,1-5H3,(H,45,53)(H,46,54)(H,47,55)(H,48,56)(H,58,59)(H2,49,50,60)
+CH$LINK: PUBCHEM CID:146684896
+CH$LINK: INCHIKEY COYVFWSNQRUPIO-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 91-919
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 12.345 min
+MS$FOCUSED_ION: BASE_PEAK 880.4288
+MS$FOCUSED_ION: PRECURSOR_M/Z 880.4284
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-03dr-0151709020-c7dd4015c6b6afc27fcd
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  113.0357 C4H5N2O2- 1 113.0357 0.78
+  155.082 C7H11N2O2- 2 155.0826 -3.71
+  262.1184 C11H14N6O2- 4 262.1184 0.16
+  267.1089 C17H17NS- 6 267.1087 0.79
+  310.1226 C14H20N3O3S- 6 310.1231 -1.58
+  414.214 C13H32N7O6S- 8 414.214 -0.03
+  689.3125 C36H45N6O6S- 11 689.3127 -0.24
+  802.3961 C42H56N7O7S- 3 802.3967 -0.78
+PK$NUM_PEAK: 8
+PK$PEAK: m/z int. rel.int.
+  113.0357 31329.5 49
+  155.082 55969.3 88
+  262.1184 161572.8 256
+  267.1089 241648.1 384
+  310.1226 73125.4 116
+  414.214 496964.9 789
+  689.3125 628445.6 999
+  802.3961 175045.4 278
+//
diff --git a/Eawag/MSBNK-EAWAG-ED075255.txt b/Eawag/MSBNK-EAWAG-ED075255.txt
new file mode 100644
index 0000000000..a6a153caa5
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED075255.txt
@@ -0,0 +1,68 @@
+ACCESSION: MSBNK-EAWAG-ED075255
+RECORD_TITLE: Nodulapeptin 881a; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md11010001
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 752
+CH$NAME: Nodulapeptin 881a
+CH$NAME: 2-(3-(3-(acetoxymethyl)-7-methyl-12-(2-(methylthio)ethyl)-2,5,8,11,14-pentaoxo-6,9-diphenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)-3-methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C44H63N7O10S
+CH$EXACT_MASS: 881.4357122
+CH$SMILES: O=C(N(C(CCC1=CC=CC=C1)C(NC(COC(C)=O)C2=O)=O)C)C(NC(C(CCSC)NC(C(CCCCN2)NC(NC(C(CC)C)C(O)=O)=O)=O)=O)CCC3=CC=CC=C3
+CH$IUPAC: InChI=1S/C44H63N7O10S/c1-6-28(2)37(43(58)59)50-44(60)49-32-19-13-14-25-45-38(53)35(27-61-29(3)52)48-41(56)36(23-21-31-17-11-8-12-18-31)51(4)42(57)34(22-20-30-15-9-7-10-16-30)47-40(55)33(24-26-62-5)46-39(32)54/h7-12,15-18,28,32-37H,6,13-14,19-27H2,1-5H3,(H,45,53)(H,46,54)(H,47,55)(H,48,56)(H,58,59)(H2,49,50,60)
+CH$LINK: PUBCHEM CID:146684896
+CH$LINK: INCHIKEY COYVFWSNQRUPIO-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 91-919
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 12.345 min
+MS$FOCUSED_ION: BASE_PEAK 880.4288
+MS$FOCUSED_ION: PRECURSOR_M/Z 880.4284
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-02ta-0951000000-de57e31366017d5ac357
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  111.02 C4H3N2O2- 1 111.02 -0.27
+  113.0354 C4H5N2O2- 1 113.0357 -1.85
+  127.0511 C5H7N2O2- 1 127.0513 -1.51
+  130.0873 C6H12NO2- 1 130.0874 -0.38
+  155.082 C7H11N2O2- 2 155.0826 -3.9
+  170.0934 C7H12N3O2- 2 170.0935 -0.45
+  195.1009 CH17N5O4S- 3 195.1007 1.28
+  196.1082 CH18N5O4S- 3 196.1085 -1.31
+  223.1189 C2H19N6O4S- 4 223.1194 -2.26
+  262.1192 C11H14N6O2- 4 262.1184 3.18
+  266.1015 C11H14N4O4- 6 266.1021 -2.26
+  267.1087 C17H17NS- 6 267.1087 -0.23
+  343.2129 C18H31O6- 6 343.2126 0.74
+PK$NUM_PEAK: 13
+PK$PEAK: m/z int. rel.int.
+  111.02 41588.5 289
+  113.0354 111660.2 777
+  127.0511 83036.1 578
+  130.0873 32332 225
+  155.082 69789.2 486
+  170.0934 22865.6 159
+  195.1009 23015.3 160
+  196.1082 137950 960
+  223.1189 24084.3 167
+  262.1192 59893.7 417
+  266.1015 100873.2 702
+  267.1087 143434 999
+  343.2129 91348.7 636
+//
diff --git a/Eawag/MSBNK-EAWAG-ED075256.txt b/Eawag/MSBNK-EAWAG-ED075256.txt
new file mode 100644
index 0000000000..9fb49f2a00
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED075256.txt
@@ -0,0 +1,58 @@
+ACCESSION: MSBNK-EAWAG-ED075256
+RECORD_TITLE: Nodulapeptin 881a; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md11010001
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 752
+CH$NAME: Nodulapeptin 881a
+CH$NAME: 2-(3-(3-(acetoxymethyl)-7-methyl-12-(2-(methylthio)ethyl)-2,5,8,11,14-pentaoxo-6,9-diphenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)-3-methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C44H63N7O10S
+CH$EXACT_MASS: 881.4357122
+CH$SMILES: O=C(N(C(CCC1=CC=CC=C1)C(NC(COC(C)=O)C2=O)=O)C)C(NC(C(CCSC)NC(C(CCCCN2)NC(NC(C(CC)C)C(O)=O)=O)=O)=O)CCC3=CC=CC=C3
+CH$IUPAC: InChI=1S/C44H63N7O10S/c1-6-28(2)37(43(58)59)50-44(60)49-32-19-13-14-25-45-38(53)35(27-61-29(3)52)48-41(56)36(23-21-31-17-11-8-12-18-31)51(4)42(57)34(22-20-30-15-9-7-10-16-30)47-40(55)33(24-26-62-5)46-39(32)54/h7-12,15-18,28,32-37H,6,13-14,19-27H2,1-5H3,(H,45,53)(H,46,54)(H,47,55)(H,48,56)(H,58,59)(H2,49,50,60)
+CH$LINK: PUBCHEM CID:146684896
+CH$LINK: INCHIKEY COYVFWSNQRUPIO-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 91-919
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 12.345 min
+MS$FOCUSED_ION: BASE_PEAK 880.4288
+MS$FOCUSED_ION: PRECURSOR_M/Z 880.4284
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-03fs-0900000000-c91f63896432006199de
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  111.0199 C4H3N2O2- 1 111.02 -0.95
+  113.0355 C4H5N2O2- 1 113.0357 -0.97
+  127.051 C5H7N2O2- 1 127.0513 -2.17
+  130.0874 C6H12NO2- 2 130.0874 0.55
+  139.0515 C6H7N2O2- 2 139.0513 1.18
+  195.1006 CH17N5O4S- 3 195.1007 -0.36
+  196.1082 CH18N5O4S- 2 196.1085 -1.7
+  266.101 C11H14N4O4- 6 266.1021 -3.87
+PK$NUM_PEAK: 8
+PK$PEAK: m/z int. rel.int.
+  111.0199 68342.9 394
+  113.0355 173069.5 999
+  127.051 131952.4 761
+  130.0874 30600.5 176
+  139.0515 27821.1 160
+  195.1006 28830.5 166
+  196.1082 131024.1 756
+  266.101 52956.2 305
+//
diff --git a/Eawag/MSBNK-EAWAG-ED080501.txt b/Eawag/MSBNK-EAWAG-ED080501.txt
new file mode 100644
index 0000000000..87e5d879b5
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED080501.txt
@@ -0,0 +1,43 @@
+ACCESSION: MSBNK-EAWAG-ED080501
+RECORD_TITLE: Anabaenopeptin F; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 805
+CH$NAME: Anabaenopeptin F
+CH$NAME: (2R)-2-(3-((3S,6S,12S,15R)-3-benzyl-12-((R)-sec-butyl)-9-(4-hydroxyphenethyl)-6,7-dimethyl-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)-5-((diaminomethylene)amino)pentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C42H62N10O9
+CH$EXACT_MASS: 850.4701236
+CH$SMILES: C[C@H]1C(N[C@@H](CC2=CC=CC=C2)C(NCCCC[C@@H](NC(N[C@@H](C(O)=O)CCC/N=C(N)\N)=O)C(N[C@@H]([C@H](C)CC)C(NC(CCC3=CC=C(O)C=C3)C(N1C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C42H62N10O9/c1-5-25(2)34-38(57)47-31(21-18-27-16-19-29(53)20-17-27)39(58)52(4)26(3)35(54)48-33(24-28-12-7-6-8-13-28)36(55)45-22-10-9-14-30(37(56)51-34)49-42(61)50-32(40(59)60)15-11-23-46-41(43)44/h6-8,12-13,16-17,19-20,25-26,30-34,53H,5,9-11,14-15,18,21-24H2,1-4H3,(H,45,55)(H,47,57)(H,48,54)(H,51,56)(H,59,60)(H4,43,44,46)(H2,49,50,61)/t25-,26+,30-,31?,32-,33+,34+/m1/s1
+CH$LINK: PUBCHEM CID: 44387258
+CH$LINK: INCHIKEY RAUPUVQHUFXDQT-XQEBCNPXSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 88-890
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.114 min
+MS$FOCUSED_ION: BASE_PEAK 426.2414
+MS$FOCUSED_ION: PRECURSOR_M/Z 851.4774
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0udi-0000000090-8911baad3a35eed81ce3
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  851.4758 C42H63N10O9+ 1 851.4774 -1.93
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  851.4758 112662440 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED080502.txt b/Eawag/MSBNK-EAWAG-ED080502.txt
new file mode 100644
index 0000000000..3becfcc087
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED080502.txt
@@ -0,0 +1,49 @@
+ACCESSION: MSBNK-EAWAG-ED080502
+RECORD_TITLE: Anabaenopeptin F; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 805
+CH$NAME: Anabaenopeptin F
+CH$NAME: (2R)-2-(3-((3S,6S,12S,15R)-3-benzyl-12-((R)-sec-butyl)-9-(4-hydroxyphenethyl)-6,7-dimethyl-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)-5-((diaminomethylene)amino)pentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C42H62N10O9
+CH$EXACT_MASS: 850.4701236
+CH$SMILES: C[C@H]1C(N[C@@H](CC2=CC=CC=C2)C(NCCCC[C@@H](NC(N[C@@H](C(O)=O)CCC/N=C(N)\N)=O)C(N[C@@H]([C@H](C)CC)C(NC(CCC3=CC=C(O)C=C3)C(N1C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C42H62N10O9/c1-5-25(2)34-38(57)47-31(21-18-27-16-19-29(53)20-17-27)39(58)52(4)26(3)35(54)48-33(24-28-12-7-6-8-13-28)36(55)45-22-10-9-14-30(37(56)51-34)49-42(61)50-32(40(59)60)15-11-23-46-41(43)44/h6-8,12-13,16-17,19-20,25-26,30-34,53H,5,9-11,14-15,18,21-24H2,1-4H3,(H,45,55)(H,47,57)(H,48,54)(H,51,56)(H,59,60)(H4,43,44,46)(H2,49,50,61)/t25-,26+,30-,31?,32-,33+,34+/m1/s1
+CH$LINK: PUBCHEM CID: 44387258
+CH$LINK: INCHIKEY RAUPUVQHUFXDQT-XQEBCNPXSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 88-890
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.114 min
+MS$FOCUSED_ION: BASE_PEAK 426.2414
+MS$FOCUSED_ION: PRECURSOR_M/Z 851.4774
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0udi-0010000090-39833acede314da3b860
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  175.1185 C6H15N4O2+ 1 175.119 -2.38
+  201.0975 C6H17O7+ 3 201.0969 3.32
+  651.3858 C35H51N6O6+ 5 651.3865 -0.98
+  851.476 C42H63N10O9+ 1 851.4774 -1.64
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  175.1185 3815179.5 44
+  201.0975 10737766 125
+  651.3858 2843431 33
+  851.476 85590520 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED080503.txt b/Eawag/MSBNK-EAWAG-ED080503.txt
new file mode 100644
index 0000000000..c94f7d4305
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED080503.txt
@@ -0,0 +1,49 @@
+ACCESSION: MSBNK-EAWAG-ED080503
+RECORD_TITLE: Anabaenopeptin F; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 805
+CH$NAME: Anabaenopeptin F
+CH$NAME: (2R)-2-(3-((3S,6S,12S,15R)-3-benzyl-12-((R)-sec-butyl)-9-(4-hydroxyphenethyl)-6,7-dimethyl-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)-5-((diaminomethylene)amino)pentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C42H62N10O9
+CH$EXACT_MASS: 850.4701236
+CH$SMILES: C[C@H]1C(N[C@@H](CC2=CC=CC=C2)C(NCCCC[C@@H](NC(N[C@@H](C(O)=O)CCC/N=C(N)\N)=O)C(N[C@@H]([C@H](C)CC)C(NC(CCC3=CC=C(O)C=C3)C(N1C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C42H62N10O9/c1-5-25(2)34-38(57)47-31(21-18-27-16-19-29(53)20-17-27)39(58)52(4)26(3)35(54)48-33(24-28-12-7-6-8-13-28)36(55)45-22-10-9-14-30(37(56)51-34)49-42(61)50-32(40(59)60)15-11-23-46-41(43)44/h6-8,12-13,16-17,19-20,25-26,30-34,53H,5,9-11,14-15,18,21-24H2,1-4H3,(H,45,55)(H,47,57)(H,48,54)(H,51,56)(H,59,60)(H4,43,44,46)(H2,49,50,61)/t25-,26+,30-,31?,32-,33+,34+/m1/s1
+CH$LINK: PUBCHEM CID: 44387258
+CH$LINK: INCHIKEY RAUPUVQHUFXDQT-XQEBCNPXSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 88-890
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.114 min
+MS$FOCUSED_ION: BASE_PEAK 426.2414
+MS$FOCUSED_ION: PRECURSOR_M/Z 851.4774
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0udi-0270001090-db6072e3c72912fbb6ff
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  175.1186 C6H15N4O2+ 1 175.119 -2.03
+  201.0975 C6H17O7+ 3 201.0969 3.32
+  651.3859 C35H51N6O6+ 5 651.3865 -0.89
+  851.4764 C42H63N10O9+ 1 851.4774 -1.14
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  175.1186 9681509 233
+  201.0975 35876732 865
+  651.3859 4913424.5 118
+  851.4764 41397484 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED080504.txt b/Eawag/MSBNK-EAWAG-ED080504.txt
new file mode 100644
index 0000000000..bd734a84bf
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED080504.txt
@@ -0,0 +1,49 @@
+ACCESSION: MSBNK-EAWAG-ED080504
+RECORD_TITLE: Anabaenopeptin F; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 805
+CH$NAME: Anabaenopeptin F
+CH$NAME: (2R)-2-(3-((3S,6S,12S,15R)-3-benzyl-12-((R)-sec-butyl)-9-(4-hydroxyphenethyl)-6,7-dimethyl-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)-5-((diaminomethylene)amino)pentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C42H62N10O9
+CH$EXACT_MASS: 850.4701236
+CH$SMILES: C[C@H]1C(N[C@@H](CC2=CC=CC=C2)C(NCCCC[C@@H](NC(N[C@@H](C(O)=O)CCC/N=C(N)\N)=O)C(N[C@@H]([C@H](C)CC)C(NC(CCC3=CC=C(O)C=C3)C(N1C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C42H62N10O9/c1-5-25(2)34-38(57)47-31(21-18-27-16-19-29(53)20-17-27)39(58)52(4)26(3)35(54)48-33(24-28-12-7-6-8-13-28)36(55)45-22-10-9-14-30(37(56)51-34)49-42(61)50-32(40(59)60)15-11-23-46-41(43)44/h6-8,12-13,16-17,19-20,25-26,30-34,53H,5,9-11,14-15,18,21-24H2,1-4H3,(H,45,55)(H,47,57)(H,48,54)(H,51,56)(H,59,60)(H4,43,44,46)(H2,49,50,61)/t25-,26+,30-,31?,32-,33+,34+/m1/s1
+CH$LINK: PUBCHEM CID: 44387258
+CH$LINK: INCHIKEY RAUPUVQHUFXDQT-XQEBCNPXSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 88-890
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.114 min
+MS$FOCUSED_ION: BASE_PEAK 426.2414
+MS$FOCUSED_ION: PRECURSOR_M/Z 851.4774
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0udi-0190000010-3e9ab9a5cf6a2bae47de
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  175.1186 C6H15N4O2+ 1 175.119 -2.03
+  201.0975 C6H17O7+ 3 201.0969 3.32
+  651.386 C35H51N6O6+ 7 651.3865 -0.7
+  851.4767 C42H63N10O9+ 1 851.4774 -0.78
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  175.1186 12275769 216
+  201.0975 56688924 999
+  651.386 2773852 48
+  851.4767 7903324 139
+//
diff --git a/Eawag/MSBNK-EAWAG-ED080505.txt b/Eawag/MSBNK-EAWAG-ED080505.txt
new file mode 100644
index 0000000000..0b0165c270
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED080505.txt
@@ -0,0 +1,59 @@
+ACCESSION: MSBNK-EAWAG-ED080505
+RECORD_TITLE: Anabaenopeptin F; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 805
+CH$NAME: Anabaenopeptin F
+CH$NAME: (2R)-2-(3-((3S,6S,12S,15R)-3-benzyl-12-((R)-sec-butyl)-9-(4-hydroxyphenethyl)-6,7-dimethyl-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)-5-((diaminomethylene)amino)pentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C42H62N10O9
+CH$EXACT_MASS: 850.4701236
+CH$SMILES: C[C@H]1C(N[C@@H](CC2=CC=CC=C2)C(NCCCC[C@@H](NC(N[C@@H](C(O)=O)CCC/N=C(N)\N)=O)C(N[C@@H]([C@H](C)CC)C(NC(CCC3=CC=C(O)C=C3)C(N1C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C42H62N10O9/c1-5-25(2)34-38(57)47-31(21-18-27-16-19-29(53)20-17-27)39(58)52(4)26(3)35(54)48-33(24-28-12-7-6-8-13-28)36(55)45-22-10-9-14-30(37(56)51-34)49-42(61)50-32(40(59)60)15-11-23-46-41(43)44/h6-8,12-13,16-17,19-20,25-26,30-34,53H,5,9-11,14-15,18,21-24H2,1-4H3,(H,45,55)(H,47,57)(H,48,54)(H,51,56)(H,59,60)(H4,43,44,46)(H2,49,50,61)/t25-,26+,30-,31?,32-,33+,34+/m1/s1
+CH$LINK: PUBCHEM CID: 44387258
+CH$LINK: INCHIKEY RAUPUVQHUFXDQT-XQEBCNPXSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 88-890
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.114 min
+MS$FOCUSED_ION: BASE_PEAK 426.2414
+MS$FOCUSED_ION: PRECURSOR_M/Z 851.4774
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0udi-0290000000-b5ebfb144fc80fabe7a5
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  112.0867 C5H10N3+ 1 112.0869 -2.05
+  114.0547 C5H8NO2+ 1 114.055 -2.57
+  115.0862 C5H11N2O+ 1 115.0866 -3
+  116.0704 C5H10NO2+ 1 116.0706 -1.87
+  130.0972 C5H12N3O+ 1 130.0975 -2.27
+  158.0921 C6H12N3O2+ 1 158.0924 -2.1
+  159.0758 C6H11N2O3+ 2 159.0764 -3.66
+  175.1185 C6H15N4O2+ 1 175.119 -2.56
+  201.0974 C6H17O7+ 3 201.0969 2.71
+PK$NUM_PEAK: 9
+PK$PEAK: m/z int. rel.int.
+  112.0867 1355905 27
+  114.0547 1866137.9 37
+  115.0862 619686.5 12
+  116.0704 966130.3 19
+  130.0972 1485496.1 30
+  158.0921 752020.9 15
+  159.0758 1069497.1 21
+  175.1185 6116422.5 123
+  201.0974 49313252 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED080506.txt b/Eawag/MSBNK-EAWAG-ED080506.txt
new file mode 100644
index 0000000000..2cf672bee0
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED080506.txt
@@ -0,0 +1,67 @@
+ACCESSION: MSBNK-EAWAG-ED080506
+RECORD_TITLE: Anabaenopeptin F; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 805
+CH$NAME: Anabaenopeptin F
+CH$NAME: (2R)-2-(3-((3S,6S,12S,15R)-3-benzyl-12-((R)-sec-butyl)-9-(4-hydroxyphenethyl)-6,7-dimethyl-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)-5-((diaminomethylene)amino)pentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C42H62N10O9
+CH$EXACT_MASS: 850.4701236
+CH$SMILES: C[C@H]1C(N[C@@H](CC2=CC=CC=C2)C(NCCCC[C@@H](NC(N[C@@H](C(O)=O)CCC/N=C(N)\N)=O)C(N[C@@H]([C@H](C)CC)C(NC(CCC3=CC=C(O)C=C3)C(N1C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C42H62N10O9/c1-5-25(2)34-38(57)47-31(21-18-27-16-19-29(53)20-17-27)39(58)52(4)26(3)35(54)48-33(24-28-12-7-6-8-13-28)36(55)45-22-10-9-14-30(37(56)51-34)49-42(61)50-32(40(59)60)15-11-23-46-41(43)44/h6-8,12-13,16-17,19-20,25-26,30-34,53H,5,9-11,14-15,18,21-24H2,1-4H3,(H,45,55)(H,47,57)(H,48,54)(H,51,56)(H,59,60)(H4,43,44,46)(H2,49,50,61)/t25-,26+,30-,31?,32-,33+,34+/m1/s1
+CH$LINK: PUBCHEM CID: 44387258
+CH$LINK: INCHIKEY RAUPUVQHUFXDQT-XQEBCNPXSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 88-890
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.114 min
+MS$FOCUSED_ION: BASE_PEAK 426.2414
+MS$FOCUSED_ION: PRECURSOR_M/Z 851.4774
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03di-0900000000-a78f6b55e1877a167895
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  112.0868 C5H10N3+ 1 112.0869 -1.37
+  113.0707 C5H9N2O+ 1 113.0709 -1.9
+  114.0548 C5H8NO2+ 1 114.055 -1.3
+  115.0864 C5H11N2O+ 1 115.0866 -2
+  116.0704 C5H10NO2+ 1 116.0706 -1.74
+  120.0806 C8H10N+ 1 120.0808 -1.44
+  129.1019 C6H13N2O+ 1 129.1022 -2.44
+  130.0973 C5H12N3O+ 1 130.0975 -1.33
+  141.066 C6H9N2O2+ 1 141.0659 0.8
+  142.0497 C6H8NO3+ 1 142.0499 -1.43
+  158.0924 C6H12N3O2+ 1 158.0924 -0.27
+  159.0762 C6H11N2O3+ 1 159.0764 -1.55
+  175.1187 C6H15N4O2+ 1 175.119 -1.68
+PK$NUM_PEAK: 13
+PK$PEAK: m/z int. rel.int.
+  112.0868 2368555 587
+  113.0707 896055.7 222
+  114.0548 4025816.5 999
+  115.0864 1144293.8 283
+  116.0704 1522177.6 377
+  120.0806 494760.7 122
+  129.1019 390051.3 96
+  130.0973 3470446.2 861
+  141.066 529044 131
+  142.0497 732323.1 181
+  158.0924 839911 208
+  159.0762 1799529.6 446
+  175.1187 2410352.8 598
+//
diff --git a/Eawag/MSBNK-EAWAG-ED080507.txt b/Eawag/MSBNK-EAWAG-ED080507.txt
new file mode 100644
index 0000000000..a5ffd748bd
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED080507.txt
@@ -0,0 +1,79 @@
+ACCESSION: MSBNK-EAWAG-ED080507
+RECORD_TITLE: Anabaenopeptin F; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 805
+CH$NAME: Anabaenopeptin F
+CH$NAME: (2R)-2-(3-((3S,6S,12S,15R)-3-benzyl-12-((R)-sec-butyl)-9-(4-hydroxyphenethyl)-6,7-dimethyl-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)-5-((diaminomethylene)amino)pentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C42H62N10O9
+CH$EXACT_MASS: 850.4701236
+CH$SMILES: C[C@H]1C(N[C@@H](CC2=CC=CC=C2)C(NCCCC[C@@H](NC(N[C@@H](C(O)=O)CCC/N=C(N)\N)=O)C(N[C@@H]([C@H](C)CC)C(NC(CCC3=CC=C(O)C=C3)C(N1C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C42H62N10O9/c1-5-25(2)34-38(57)47-31(21-18-27-16-19-29(53)20-17-27)39(58)52(4)26(3)35(54)48-33(24-28-12-7-6-8-13-28)36(55)45-22-10-9-14-30(37(56)51-34)49-42(61)50-32(40(59)60)15-11-23-46-41(43)44/h6-8,12-13,16-17,19-20,25-26,30-34,53H,5,9-11,14-15,18,21-24H2,1-4H3,(H,45,55)(H,47,57)(H,48,54)(H,51,56)(H,59,60)(H4,43,44,46)(H2,49,50,61)/t25-,26+,30-,31?,32-,33+,34+/m1/s1
+CH$LINK: PUBCHEM CID: 44387258
+CH$LINK: INCHIKEY RAUPUVQHUFXDQT-XQEBCNPXSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 88-890
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.114 min
+MS$FOCUSED_ION: BASE_PEAK 426.2414
+MS$FOCUSED_ION: PRECURSOR_M/Z 851.4774
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03di-0900000000-5a2ebd9edef01fc3448b
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  97.0757 C5H9N2+ 1 97.076 -3.26
+  98.0598 C5H8NO+ 1 98.06 -2.37
+  99.0439 C5H7O2+ 1 99.0441 -1.43
+  107.0489 C7H7O+ 1 107.0491 -2.2
+  112.0867 C5H10N3+ 1 112.0869 -1.64
+  113.0708 C5H9N2O+ 1 113.0709 -1.16
+  114.0548 C5H8NO2+ 1 114.055 -1.37
+  115.0865 C5H11N2O+ 1 115.0866 -1.01
+  116.0704 C5H10NO2+ 1 116.0706 -1.41
+  120.0805 C8H10N+ 1 120.0808 -1.89
+  129.1022 C6H13N2O+ 1 129.1022 -0.54
+  130.0973 C5H12N3O+ 1 130.0975 -1.8
+  141.0659 C6H9N2O2+ 1 141.0659 0.25
+  142.0497 C6H8NO3+ 1 142.0499 -1.21
+  150.0913 C9H12NO+ 1 150.0913 -0.55
+  158.0922 C6H12N3O2+ 1 158.0924 -1.04
+  159.0761 C6H11N2O3+ 1 159.0764 -1.84
+  175.1187 C6H15N4O2+ 1 175.119 -1.16
+  240.1697 C10H20N6O+ 2 240.1693 1.62
+PK$NUM_PEAK: 19
+PK$PEAK: m/z int. rel.int.
+  97.0757 202461.8 32
+  98.0598 146436.1 23
+  99.0439 174399.2 27
+  107.0489 444086.1 70
+  112.0867 2166039.5 342
+  113.0708 1522167.1 240
+  114.0548 6320089 999
+  115.0865 1132829.9 179
+  116.0704 1296538.9 204
+  120.0805 943437.3 149
+  129.1022 389836.6 61
+  130.0973 4439609.5 701
+  141.0659 521381.8 82
+  142.0497 854381.8 135
+  150.0913 204531.5 32
+  158.0922 516050 81
+  159.0761 1315006.4 207
+  175.1187 680403 107
+  240.1697 200852.9 31
+//
diff --git a/Eawag/MSBNK-EAWAG-ED080508.txt b/Eawag/MSBNK-EAWAG-ED080508.txt
new file mode 100644
index 0000000000..9474a37bdc
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED080508.txt
@@ -0,0 +1,83 @@
+ACCESSION: MSBNK-EAWAG-ED080508
+RECORD_TITLE: Anabaenopeptin F; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 805
+CH$NAME: Anabaenopeptin F
+CH$NAME: (2R)-2-(3-((3S,6S,12S,15R)-3-benzyl-12-((R)-sec-butyl)-9-(4-hydroxyphenethyl)-6,7-dimethyl-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)-5-((diaminomethylene)amino)pentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C42H62N10O9
+CH$EXACT_MASS: 850.4701236
+CH$SMILES: C[C@H]1C(N[C@@H](CC2=CC=CC=C2)C(NCCCC[C@@H](NC(N[C@@H](C(O)=O)CCC/N=C(N)\N)=O)C(N[C@@H]([C@H](C)CC)C(NC(CCC3=CC=C(O)C=C3)C(N1C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C42H62N10O9/c1-5-25(2)34-38(57)47-31(21-18-27-16-19-29(53)20-17-27)39(58)52(4)26(3)35(54)48-33(24-28-12-7-6-8-13-28)36(55)45-22-10-9-14-30(37(56)51-34)49-42(61)50-32(40(59)60)15-11-23-46-41(43)44/h6-8,12-13,16-17,19-20,25-26,30-34,53H,5,9-11,14-15,18,21-24H2,1-4H3,(H,45,55)(H,47,57)(H,48,54)(H,51,56)(H,59,60)(H4,43,44,46)(H2,49,50,61)/t25-,26+,30-,31?,32-,33+,34+/m1/s1
+CH$LINK: PUBCHEM CID: 44387258
+CH$LINK: INCHIKEY RAUPUVQHUFXDQT-XQEBCNPXSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 88-890
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.114 min
+MS$FOCUSED_ION: BASE_PEAK 426.2414
+MS$FOCUSED_ION: PRECURSOR_M/Z 851.4774
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0ik9-0920000000-89b70bcdab7e64e3f661
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  96.0443 C5H6NO+ 1 96.0444 -1.43
+  97.0757 C5H9N2+ 1 97.076 -2.95
+  98.0597 C5H8NO+ 1 98.06 -3.31
+  99.0438 C5H7O2+ 1 99.0441 -2.66
+  105.07 C8H9+ 1 105.0699 1.37
+  107.049 C7H7O+ 1 107.0491 -1.56
+  112.0867 C5H10N3+ 1 112.0869 -2.25
+  113.0706 C5H9N2O+ 1 113.0709 -2.58
+  114.0547 C5H8NO2+ 1 114.055 -2.03
+  115.0864 C5H11N2O+ 1 115.0866 -1.41
+  116.0703 C5H10NO2+ 1 116.0706 -2.53
+  120.0806 C8H10N+ 1 120.0808 -1.7
+  130.0972 C5H12N3O+ 1 130.0975 -2.27
+  138.066 C6H8N3O+ 1 138.0662 -1.22
+  141.0655 C6H9N2O2+ 1 141.0659 -2.67
+  142.0495 C6H8NO3+ 1 142.0499 -2.72
+  155.0813 C7H11N2O2+ 1 155.0815 -1.45
+  158.0922 C6H12N3O2+ 1 158.0924 -1.14
+  159.0759 C6H11N2O3+ 1 159.0764 -2.99
+  175.1186 C6H15N4O2+ 1 175.119 -2.29
+  201.0975 C6H17O7+ 3 201.0969 3.32
+PK$NUM_PEAK: 21
+PK$PEAK: m/z int. rel.int.
+  96.0443 272249.7 49
+  97.0757 164128.3 29
+  98.0597 158314.3 28
+  99.0438 276714.2 50
+  105.07 89807.1 16
+  107.049 642342.9 116
+  112.0867 1230889.9 224
+  113.0706 1231798.4 224
+  114.0547 5485137 999
+  115.0864 645807 117
+  116.0703 709984.4 129
+  120.0806 1310882.8 238
+  130.0972 3841178.8 699
+  138.066 80374.5 14
+  141.0655 311819.8 56
+  142.0495 467010 85
+  155.0813 199592.9 36
+  158.0922 218457.7 39
+  159.0759 614746.2 111
+  175.1186 138149.6 25
+  201.0975 4446059 809
+//
diff --git a/Eawag/MSBNK-EAWAG-ED080509.txt b/Eawag/MSBNK-EAWAG-ED080509.txt
new file mode 100644
index 0000000000..55607b347c
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED080509.txt
@@ -0,0 +1,79 @@
+ACCESSION: MSBNK-EAWAG-ED080509
+RECORD_TITLE: Anabaenopeptin F; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 805
+CH$NAME: Anabaenopeptin F
+CH$NAME: (2R)-2-(3-((3S,6S,12S,15R)-3-benzyl-12-((R)-sec-butyl)-9-(4-hydroxyphenethyl)-6,7-dimethyl-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)-5-((diaminomethylene)amino)pentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C42H62N10O9
+CH$EXACT_MASS: 850.4701236
+CH$SMILES: C[C@H]1C(N[C@@H](CC2=CC=CC=C2)C(NCCCC[C@@H](NC(N[C@@H](C(O)=O)CCC/N=C(N)\N)=O)C(N[C@@H]([C@H](C)CC)C(NC(CCC3=CC=C(O)C=C3)C(N1C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C42H62N10O9/c1-5-25(2)34-38(57)47-31(21-18-27-16-19-29(53)20-17-27)39(58)52(4)26(3)35(54)48-33(24-28-12-7-6-8-13-28)36(55)45-22-10-9-14-30(37(56)51-34)49-42(61)50-32(40(59)60)15-11-23-46-41(43)44/h6-8,12-13,16-17,19-20,25-26,30-34,53H,5,9-11,14-15,18,21-24H2,1-4H3,(H,45,55)(H,47,57)(H,48,54)(H,51,56)(H,59,60)(H4,43,44,46)(H2,49,50,61)/t25-,26+,30-,31?,32-,33+,34+/m1/s1
+CH$LINK: PUBCHEM CID: 44387258
+CH$LINK: INCHIKEY RAUPUVQHUFXDQT-XQEBCNPXSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 88-890
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.114 min
+MS$FOCUSED_ION: BASE_PEAK 426.2414
+MS$FOCUSED_ION: PRECURSOR_M/Z 851.4774
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03di-0900000000-8bfde445c24761beda81
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  96.0443 C5H6NO+ 1 96.0444 -0.72
+  97.076 C5H9N2+ 1 97.076 -0.43
+  98.0597 C5H8NO+ 1 98.06 -3.39
+  99.0438 C5H7O2+ 1 99.0441 -2.97
+  103.0543 C8H7+ 1 103.0542 0.85
+  105.07 C8H9+ 1 105.0699 1.22
+  107.0489 C7H7O+ 1 107.0491 -2.42
+  112.0866 C5H10N3+ 1 112.0869 -2.73
+  113.0707 C5H9N2O+ 1 113.0709 -2.17
+  114.0548 C5H8NO2+ 1 114.055 -1.77
+  116.0705 C5H10NO2+ 1 116.0706 -0.88
+  120.0805 C8H10N+ 1 120.0808 -2.33
+  129.1024 C6H13N2O+ 1 129.1022 1.11
+  130.0972 C5H12N3O+ 1 130.0975 -2.03
+  138.066 C6H8N3O+ 1 138.0662 -1.66
+  142.0495 C6H8NO3+ 1 142.0499 -2.72
+  155.0815 C7H11N2O2+ 1 155.0815 0.22
+  159.076 C6H11N2O3+ 1 159.0764 -2.8
+  201.0975 C6H17O7+ 3 201.0969 2.94
+PK$NUM_PEAK: 19
+PK$PEAK: m/z int. rel.int.
+  96.0443 362106.1 91
+  97.076 107337.3 27
+  98.0597 201341 50
+  99.0438 300234.9 75
+  103.0543 224243.2 56
+  105.07 127894.8 32
+  107.0489 781886 197
+  112.0866 672112.5 169
+  113.0707 871769.1 220
+  114.0548 3951237.5 999
+  116.0705 381575.7 96
+  120.0805 1352303.9 341
+  129.1024 158163 39
+  130.0972 2393223.2 605
+  138.066 101966.2 25
+  142.0495 211371.6 53
+  155.0815 127423.3 32
+  159.076 199964.6 50
+  201.0975 1271514 321
+//
diff --git a/Eawag/MSBNK-EAWAG-ED080551.txt b/Eawag/MSBNK-EAWAG-ED080551.txt
new file mode 100644
index 0000000000..7fa6c281bd
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED080551.txt
@@ -0,0 +1,51 @@
+ACCESSION: MSBNK-EAWAG-ED080551
+RECORD_TITLE: Anabaenopeptin F; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 805
+CH$NAME: Anabaenopeptin F
+CH$NAME: (2R)-2-(3-((3S,6S,12S,15R)-3-benzyl-12-((R)-sec-butyl)-9-(4-hydroxyphenethyl)-6,7-dimethyl-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)-5-((diaminomethylene)amino)pentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C42H62N10O9
+CH$EXACT_MASS: 850.4701236
+CH$SMILES: C[C@H]1C(N[C@@H](CC2=CC=CC=C2)C(NCCCC[C@@H](NC(N[C@@H](C(O)=O)CCC/N=C(N)\N)=O)C(N[C@@H]([C@H](C)CC)C(NC(CCC3=CC=C(O)C=C3)C(N1C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C42H62N10O9/c1-5-25(2)34-38(57)47-31(21-18-27-16-19-29(53)20-17-27)39(58)52(4)26(3)35(54)48-33(24-28-12-7-6-8-13-28)36(55)45-22-10-9-14-30(37(56)51-34)49-42(61)50-32(40(59)60)15-11-23-46-41(43)44/h6-8,12-13,16-17,19-20,25-26,30-34,53H,5,9-11,14-15,18,21-24H2,1-4H3,(H,45,55)(H,47,57)(H,48,54)(H,51,56)(H,59,60)(H4,43,44,46)(H2,49,50,61)/t25-,26+,30-,31?,32-,33+,34+/m1/s1
+CH$LINK: PUBCHEM CID: 44387258
+CH$LINK: INCHIKEY RAUPUVQHUFXDQT-XQEBCNPXSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 88-887
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.102 min
+MS$FOCUSED_ION: BASE_PEAK 849.4634
+MS$FOCUSED_ION: PRECURSOR_M/Z 849.4628
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0032-0000005090-fc3d6222c7aa11ed9810
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  173.1039 C6H13N4O2- 3 173.1044 -3.03
+  675.3511 C36H47N6O7- 6 675.3512 -0.16
+  676.3529 C42H48N2O6- 4 676.3518 1.64
+  831.452 C42H59N10O8- 1 831.4523 -0.34
+  849.4629 C42H61N10O9- 1 849.4628 0.05
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  173.1039 376056.3 19
+  675.3511 18405984 957
+  676.3529 626440 32
+  831.452 11333869 589
+  849.4629 19201488 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED080552.txt b/Eawag/MSBNK-EAWAG-ED080552.txt
new file mode 100644
index 0000000000..0f9388382c
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED080552.txt
@@ -0,0 +1,53 @@
+ACCESSION: MSBNK-EAWAG-ED080552
+RECORD_TITLE: Anabaenopeptin F; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 805
+CH$NAME: Anabaenopeptin F
+CH$NAME: (2R)-2-(3-((3S,6S,12S,15R)-3-benzyl-12-((R)-sec-butyl)-9-(4-hydroxyphenethyl)-6,7-dimethyl-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)-5-((diaminomethylene)amino)pentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C42H62N10O9
+CH$EXACT_MASS: 850.4701236
+CH$SMILES: C[C@H]1C(N[C@@H](CC2=CC=CC=C2)C(NCCCC[C@@H](NC(N[C@@H](C(O)=O)CCC/N=C(N)\N)=O)C(N[C@@H]([C@H](C)CC)C(NC(CCC3=CC=C(O)C=C3)C(N1C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C42H62N10O9/c1-5-25(2)34-38(57)47-31(21-18-27-16-19-29(53)20-17-27)39(58)52(4)26(3)35(54)48-33(24-28-12-7-6-8-13-28)36(55)45-22-10-9-14-30(37(56)51-34)49-42(61)50-32(40(59)60)15-11-23-46-41(43)44/h6-8,12-13,16-17,19-20,25-26,30-34,53H,5,9-11,14-15,18,21-24H2,1-4H3,(H,45,55)(H,47,57)(H,48,54)(H,51,56)(H,59,60)(H4,43,44,46)(H2,49,50,61)/t25-,26+,30-,31?,32-,33+,34+/m1/s1
+CH$LINK: PUBCHEM CID: 44387258
+CH$LINK: INCHIKEY RAUPUVQHUFXDQT-XQEBCNPXSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 88-887
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.102 min
+MS$FOCUSED_ION: BASE_PEAK 849.4634
+MS$FOCUSED_ION: PRECURSOR_M/Z 849.4628
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-004i-0000009040-d90030373a399ee53204
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  173.1038 C6H13N4O2- 3 173.1044 -3.47
+  675.3513 C36H47N6O7- 6 675.3512 0.21
+  676.3531 C42H48N2O6- 4 676.3518 1.92
+  789.43 C41H57N8O8- 1 789.4305 -0.58
+  831.4524 C42H59N10O8- 1 831.4523 0.1
+  849.4628 C42H61N10O9- 1 849.4628 -0.09
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  173.1038 1478339.4 52
+  675.3513 28068696 999
+  676.3531 1210452.9 43
+  789.43 284723.6 10
+  831.4524 12745372 453
+  849.4628 1809848.8 64
+//
diff --git a/Eawag/MSBNK-EAWAG-ED080553.txt b/Eawag/MSBNK-EAWAG-ED080553.txt
new file mode 100644
index 0000000000..cf6b59b314
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED080553.txt
@@ -0,0 +1,57 @@
+ACCESSION: MSBNK-EAWAG-ED080553
+RECORD_TITLE: Anabaenopeptin F; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 805
+CH$NAME: Anabaenopeptin F
+CH$NAME: (2R)-2-(3-((3S,6S,12S,15R)-3-benzyl-12-((R)-sec-butyl)-9-(4-hydroxyphenethyl)-6,7-dimethyl-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)-5-((diaminomethylene)amino)pentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C42H62N10O9
+CH$EXACT_MASS: 850.4701236
+CH$SMILES: C[C@H]1C(N[C@@H](CC2=CC=CC=C2)C(NCCCC[C@@H](NC(N[C@@H](C(O)=O)CCC/N=C(N)\N)=O)C(N[C@@H]([C@H](C)CC)C(NC(CCC3=CC=C(O)C=C3)C(N1C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C42H62N10O9/c1-5-25(2)34-38(57)47-31(21-18-27-16-19-29(53)20-17-27)39(58)52(4)26(3)35(54)48-33(24-28-12-7-6-8-13-28)36(55)45-22-10-9-14-30(37(56)51-34)49-42(61)50-32(40(59)60)15-11-23-46-41(43)44/h6-8,12-13,16-17,19-20,25-26,30-34,53H,5,9-11,14-15,18,21-24H2,1-4H3,(H,45,55)(H,47,57)(H,48,54)(H,51,56)(H,59,60)(H4,43,44,46)(H2,49,50,61)/t25-,26+,30-,31?,32-,33+,34+/m1/s1
+CH$LINK: PUBCHEM CID: 44387258
+CH$LINK: INCHIKEY RAUPUVQHUFXDQT-XQEBCNPXSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 88-887
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.102 min
+MS$FOCUSED_ION: BASE_PEAK 849.4634
+MS$FOCUSED_ION: PRECURSOR_M/Z 849.4628
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-004i-0000009020-ce29644a8a20749049ee
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  131.0825 C5H11N2O2- 1 131.0826 -0.92
+  173.1038 C6H13N4O2- 3 173.1044 -3.29
+  402.2141 C20H28N5O4- 5 402.2147 -1.41
+  649.3718 C35H49N6O6- 7 649.3719 -0.18
+  675.3511 C36H47N6O7- 6 675.3512 -0.07
+  676.3532 C42H48N2O6- 4 676.3518 2.1
+  789.4296 C41H57N8O8- 1 789.4305 -1.12
+  831.4521 C42H59N10O8- 1 831.4523 -0.19
+PK$NUM_PEAK: 8
+PK$PEAK: m/z int. rel.int.
+  131.0825 696893.4 21
+  173.1038 3005857.5 94
+  402.2141 941281.4 29
+  649.3718 492375.6 15
+  675.3511 31711176 999
+  676.3532 1467881.2 46
+  789.4296 1223146.6 38
+  831.4521 10246805 322
+//
diff --git a/Eawag/MSBNK-EAWAG-ED080554.txt b/Eawag/MSBNK-EAWAG-ED080554.txt
new file mode 100644
index 0000000000..5bc8ec867c
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED080554.txt
@@ -0,0 +1,65 @@
+ACCESSION: MSBNK-EAWAG-ED080554
+RECORD_TITLE: Anabaenopeptin F; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 805
+CH$NAME: Anabaenopeptin F
+CH$NAME: (2R)-2-(3-((3S,6S,12S,15R)-3-benzyl-12-((R)-sec-butyl)-9-(4-hydroxyphenethyl)-6,7-dimethyl-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)-5-((diaminomethylene)amino)pentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C42H62N10O9
+CH$EXACT_MASS: 850.4701236
+CH$SMILES: C[C@H]1C(N[C@@H](CC2=CC=CC=C2)C(NCCCC[C@@H](NC(N[C@@H](C(O)=O)CCC/N=C(N)\N)=O)C(N[C@@H]([C@H](C)CC)C(NC(CCC3=CC=C(O)C=C3)C(N1C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C42H62N10O9/c1-5-25(2)34-38(57)47-31(21-18-27-16-19-29(53)20-17-27)39(58)52(4)26(3)35(54)48-33(24-28-12-7-6-8-13-28)36(55)45-22-10-9-14-30(37(56)51-34)49-42(61)50-32(40(59)60)15-11-23-46-41(43)44/h6-8,12-13,16-17,19-20,25-26,30-34,53H,5,9-11,14-15,18,21-24H2,1-4H3,(H,45,55)(H,47,57)(H,48,54)(H,51,56)(H,59,60)(H4,43,44,46)(H2,49,50,61)/t25-,26+,30-,31?,32-,33+,34+/m1/s1
+CH$LINK: PUBCHEM CID: 44387258
+CH$LINK: INCHIKEY RAUPUVQHUFXDQT-XQEBCNPXSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 88-887
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.102 min
+MS$FOCUSED_ION: BASE_PEAK 849.4634
+MS$FOCUSED_ION: PRECURSOR_M/Z 849.4628
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-004i-0100009010-c7719e5573e33fd403c6
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  131.0824 C5H11N2O2- 1 131.0826 -1.5
+  173.1038 C6H13N4O2- 3 173.1044 -3.64
+  331.2127 C17H31O6- 5 331.2126 0.28
+  370.2132 C21H28N3O3- 4 370.2136 -1
+  413.2195 C22H29N4O4- 5 413.2194 0.05
+  443.2295 C20H33N3O8- 7 443.2273 4.91
+  632.3449 C35H46N5O6- 5 632.3454 -0.8
+  649.3713 C35H49N6O6- 5 649.3719 -0.93
+  675.3509 C36H47N6O7- 6 675.3512 -0.34
+  676.3531 C42H48N2O6- 4 676.3518 2.01
+  789.4297 C41H57N8O8- 1 789.4305 -1.04
+  831.4519 C42H59N10O8- 1 831.4523 -0.48
+PK$NUM_PEAK: 12
+PK$PEAK: m/z int. rel.int.
+  131.0824 1673956.1 70
+  173.1038 3675356.8 155
+  331.2127 300276.3 12
+  370.2132 239316.9 10
+  413.2195 278417.4 11
+  443.2295 300043.4 12
+  632.3449 662320.9 28
+  649.3713 1245013.9 52
+  675.3509 23565524 999
+  676.3531 1109950.2 47
+  789.4297 2075398 87
+  831.4519 4911552.5 208
+//
diff --git a/Eawag/MSBNK-EAWAG-ED080555.txt b/Eawag/MSBNK-EAWAG-ED080555.txt
new file mode 100644
index 0000000000..98c326254f
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED080555.txt
@@ -0,0 +1,111 @@
+ACCESSION: MSBNK-EAWAG-ED080555
+RECORD_TITLE: Anabaenopeptin F; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 805
+CH$NAME: Anabaenopeptin F
+CH$NAME: (2R)-2-(3-((3S,6S,12S,15R)-3-benzyl-12-((R)-sec-butyl)-9-(4-hydroxyphenethyl)-6,7-dimethyl-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)-5-((diaminomethylene)amino)pentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C42H62N10O9
+CH$EXACT_MASS: 850.4701236
+CH$SMILES: C[C@H]1C(N[C@@H](CC2=CC=CC=C2)C(NCCCC[C@@H](NC(N[C@@H](C(O)=O)CCC/N=C(N)\N)=O)C(N[C@@H]([C@H](C)CC)C(NC(CCC3=CC=C(O)C=C3)C(N1C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C42H62N10O9/c1-5-25(2)34-38(57)47-31(21-18-27-16-19-29(53)20-17-27)39(58)52(4)26(3)35(54)48-33(24-28-12-7-6-8-13-28)36(55)45-22-10-9-14-30(37(56)51-34)49-42(61)50-32(40(59)60)15-11-23-46-41(43)44/h6-8,12-13,16-17,19-20,25-26,30-34,53H,5,9-11,14-15,18,21-24H2,1-4H3,(H,45,55)(H,47,57)(H,48,54)(H,51,56)(H,59,60)(H4,43,44,46)(H2,49,50,61)/t25-,26+,30-,31?,32-,33+,34+/m1/s1
+CH$LINK: PUBCHEM CID: 44387258
+CH$LINK: INCHIKEY RAUPUVQHUFXDQT-XQEBCNPXSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 88-887
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.102 min
+MS$FOCUSED_ION: BASE_PEAK 849.4634
+MS$FOCUSED_ION: PRECURSOR_M/Z 849.4628
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0ff0-0911303000-258866df75d343b8b7b1
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  101.0719 C4H9N2O- 1 101.072 -1.61
+  102.0559 C4H8NO2- 1 102.0561 -1.44
+  107.0498 C7H7O- 1 107.0502 -3.94
+  119.0502 C8H7O- 1 119.0502 0.06
+  127.0513 C5H7N2O2- 1 127.0513 0.26
+  131.0825 C5H11N2O2- 1 131.0826 -0.8
+  141.0666 C6H9N2O2- 1 141.067 -2.3
+  146.0607 C9H8NO- 1 146.0611 -2.95
+  153.0668 C7H9N2O2- 1 153.067 -1.04
+  156.0775 C6H10N3O2- 1 156.0779 -2.28
+  160.0763 C10H10NO- 1 160.0768 -2.85
+  166.0866 C7H10N4O- 2 166.086 3.8
+  170.0928 C5H10N6O- 2 170.0922 3.74
+  173.1039 C6H13N4O2- 3 173.1044 -3.12
+  189.0663 C10H9N2O2- 2 189.067 -3.33
+  198.0991 C7H12N5O2- 3 198.0996 -2.72
+  204.0661 C11H10NO3- 2 204.0666 -2.68
+  219.0767 C9H9N5O2- 2 219.0762 2.29
+  227.1185 C14H15N2O- 3 227.119 -2.04
+  261.1237 C12H15N5O2- 3 261.1231 2.18
+  274.1558 C15H20N3O2- 3 274.1561 -1.2
+  300.1347 C16H18N3O3- 3 300.1354 -2.17
+  314.1502 C15H18N6O2- 3 314.1497 1.54
+  340.2017 C20H26N3O2- 4 340.2031 -4.05
+  352.2016 C19H24N6O- 4 352.2017 -0.22
+  370.2132 C21H28N3O3- 4 370.2136 -1
+  380.2343 C23H30N3O2- 5 380.2344 -0.07
+  402.2141 C20H28N5O4- 5 402.2147 -1.33
+  413.2189 C22H29N4O4- 5 413.2194 -1.2
+  443.2286 C20H33N3O8- 5 443.2273 2.98
+  632.3449 C35H46N5O6- 5 632.3454 -0.8
+  649.3714 C35H49N6O6- 7 649.3719 -0.75
+  675.3512 C36H47N6O7- 6 675.3512 0.02
+  789.4287 C41H57N8O8- 1 789.4305 -2.28
+  831.4524 C42H59N10O8- 1 831.4523 0.1
+PK$NUM_PEAK: 35
+PK$PEAK: m/z int. rel.int.
+  101.0719 161149.8 42
+  102.0559 80324.5 21
+  107.0498 58220 15
+  119.0502 185554.6 49
+  127.0513 191166.5 50
+  131.0825 3757850 999
+  141.0666 136648.6 36
+  146.0607 132790.6 35
+  153.0668 85563 22
+  156.0775 507419.6 134
+  160.0763 200842.8 53
+  166.0866 77462.8 20
+  170.0928 87296.8 23
+  173.1039 2219686.2 590
+  189.0663 249532.2 66
+  198.0991 156472.2 41
+  204.0661 250293.9 66
+  219.0767 82934.2 22
+  227.1185 133146.2 35
+  261.1237 359069.1 95
+  274.1558 214550.1 57
+  300.1347 766365.6 203
+  314.1502 126045 33
+  340.2017 37778.3 10
+  352.2016 119309.2 31
+  370.2132 443761.5 117
+  380.2343 248178.8 65
+  402.2141 2846646 756
+  413.2189 345773.9 91
+  443.2286 328908.7 87
+  632.3449 584997.2 155
+  649.3714 277714 73
+  675.3512 1951916.5 518
+  789.4287 236526.8 62
+  831.4524 95867.7 25
+//
diff --git a/Eawag/MSBNK-EAWAG-ED080556.txt b/Eawag/MSBNK-EAWAG-ED080556.txt
new file mode 100644
index 0000000000..d8e8a51a8e
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED080556.txt
@@ -0,0 +1,105 @@
+ACCESSION: MSBNK-EAWAG-ED080556
+RECORD_TITLE: Anabaenopeptin F; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 805
+CH$NAME: Anabaenopeptin F
+CH$NAME: (2R)-2-(3-((3S,6S,12S,15R)-3-benzyl-12-((R)-sec-butyl)-9-(4-hydroxyphenethyl)-6,7-dimethyl-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)-5-((diaminomethylene)amino)pentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C42H62N10O9
+CH$EXACT_MASS: 850.4701236
+CH$SMILES: C[C@H]1C(N[C@@H](CC2=CC=CC=C2)C(NCCCC[C@@H](NC(N[C@@H](C(O)=O)CCC/N=C(N)\N)=O)C(N[C@@H]([C@H](C)CC)C(NC(CCC3=CC=C(O)C=C3)C(N1C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C42H62N10O9/c1-5-25(2)34-38(57)47-31(21-18-27-16-19-29(53)20-17-27)39(58)52(4)26(3)35(54)48-33(24-28-12-7-6-8-13-28)36(55)45-22-10-9-14-30(37(56)51-34)49-42(61)50-32(40(59)60)15-11-23-46-41(43)44/h6-8,12-13,16-17,19-20,25-26,30-34,53H,5,9-11,14-15,18,21-24H2,1-4H3,(H,45,55)(H,47,57)(H,48,54)(H,51,56)(H,59,60)(H4,43,44,46)(H2,49,50,61)/t25-,26+,30-,31?,32-,33+,34+/m1/s1
+CH$LINK: PUBCHEM CID: 44387258
+CH$LINK: INCHIKEY RAUPUVQHUFXDQT-XQEBCNPXSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 88-887
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.102 min
+MS$FOCUSED_ION: BASE_PEAK 849.4634
+MS$FOCUSED_ION: PRECURSOR_M/Z 849.4628
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-001i-0911000000-b86ff3f0bd652cce696c
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  93.0347 C6H5O- 1 93.0346 1.29
+  99.02 C3H3N2O2- 1 99.02 -0.39
+  101.072 C4H9N2O- 1 101.072 -0.86
+  102.056 C4H8NO2- 1 102.0561 -0.39
+  107.0502 C7H7O- 1 107.0502 -0.38
+  114.056 C5H8NO2- 1 114.0561 -0.63
+  119.0501 C8H7O- 1 119.0502 -0.77
+  127.0512 C5H7N2O2- 1 127.0513 -0.7
+  131.0825 C5H11N2O2- 1 131.0826 -0.8
+  139.0874 C7H11N2O- 1 139.0877 -2.29
+  141.0667 C6H9N2O2- 1 141.067 -1.76
+  146.0609 C9H8NO- 1 146.0611 -1.7
+  153.0666 C7H9N2O2- 1 153.067 -2.24
+  155.0822 C7H11N2O2- 1 155.0826 -2.74
+  155.1182 C8H15N2O- 2 155.119 -4.96
+  156.0775 C6H10N3O2- 1 156.0779 -2.37
+  160.0763 C10H10NO- 1 160.0768 -3.14
+  166.0865 C7H10N4O- 2 166.086 3.25
+  170.0927 C5H10N6O- 2 170.0922 3.47
+  173.1039 C6H13N4O2- 3 173.1044 -2.94
+  189.0663 C10H9N2O2- 2 189.067 -3.25
+  198.0992 C7H12N5O2- 3 198.0996 -2.18
+  227.1183 C14H15N2O- 2 227.119 -2.91
+  229.134 C12H15N5- 2 229.1333 2.93
+  231.1132 C11H13N5O- 2 231.1126 2.63
+  261.1232 C12H15N5O2- 2 261.1231 0.31
+  274.1555 C15H20N3O2- 3 274.1561 -2.32
+  300.1344 C16H18N3O3- 3 300.1354 -3.19
+  331.2133 C17H31O6- 4 331.2126 1.94
+  352.2022 C19H24N6O- 3 352.2017 1.52
+  380.234 C23H30N3O2- 4 380.2344 -0.87
+  402.2144 C20H28N5O4- 5 402.2147 -0.72
+PK$NUM_PEAK: 32
+PK$PEAK: m/z int. rel.int.
+  93.0347 74615.4 13
+  99.02 85165.7 15
+  101.072 472550 87
+  102.056 87425.3 16
+  107.0502 240716.6 44
+  114.056 111231.1 20
+  119.0501 399135.4 73
+  127.0512 195412.7 36
+  131.0825 5400779.5 999
+  139.0874 151123.7 27
+  141.0667 317769.8 58
+  146.0609 369335 68
+  153.0666 153475.8 28
+  155.0822 148978.6 27
+  155.1182 54355 10
+  156.0775 533041.5 98
+  160.0763 278969.1 51
+  166.0865 98467.1 18
+  170.0927 148968.6 27
+  173.1039 882078.1 163
+  189.0663 239996.5 44
+  198.0992 62416.7 11
+  227.1183 387093.4 71
+  229.134 1392315 257
+  231.1132 178721 33
+  261.1232 158810.8 29
+  274.1555 96817.6 17
+  300.1344 466628.6 86
+  331.2133 490602.9 90
+  352.2022 141076.5 26
+  380.234 211797.4 39
+  402.2144 229041.7 42
+//
diff --git a/Eawag/MSBNK-EAWAG-ED080557.txt b/Eawag/MSBNK-EAWAG-ED080557.txt
new file mode 100644
index 0000000000..1369a44bf6
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED080557.txt
@@ -0,0 +1,85 @@
+ACCESSION: MSBNK-EAWAG-ED080557
+RECORD_TITLE: Anabaenopeptin F; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 805
+CH$NAME: Anabaenopeptin F
+CH$NAME: (2R)-2-(3-((3S,6S,12S,15R)-3-benzyl-12-((R)-sec-butyl)-9-(4-hydroxyphenethyl)-6,7-dimethyl-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)-5-((diaminomethylene)amino)pentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C42H62N10O9
+CH$EXACT_MASS: 850.4701236
+CH$SMILES: C[C@H]1C(N[C@@H](CC2=CC=CC=C2)C(NCCCC[C@@H](NC(N[C@@H](C(O)=O)CCC/N=C(N)\N)=O)C(N[C@@H]([C@H](C)CC)C(NC(CCC3=CC=C(O)C=C3)C(N1C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C42H62N10O9/c1-5-25(2)34-38(57)47-31(21-18-27-16-19-29(53)20-17-27)39(58)52(4)26(3)35(54)48-33(24-28-12-7-6-8-13-28)36(55)45-22-10-9-14-30(37(56)51-34)49-42(61)50-32(40(59)60)15-11-23-46-41(43)44/h6-8,12-13,16-17,19-20,25-26,30-34,53H,5,9-11,14-15,18,21-24H2,1-4H3,(H,45,55)(H,47,57)(H,48,54)(H,51,56)(H,59,60)(H4,43,44,46)(H2,49,50,61)/t25-,26+,30-,31?,32-,33+,34+/m1/s1
+CH$LINK: PUBCHEM CID: 44387258
+CH$LINK: INCHIKEY RAUPUVQHUFXDQT-XQEBCNPXSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 88-887
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.102 min
+MS$FOCUSED_ION: BASE_PEAK 849.4634
+MS$FOCUSED_ION: PRECURSOR_M/Z 849.4628
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-001i-0900000000-473f6c76146ff0d59506
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  93.0345 C6H5O- 1 93.0346 -0.76
+  99.0201 C3H3N2O2- 1 99.02 0.61
+  101.072 C4H9N2O- 1 101.072 -0.86
+  102.0559 C4H8NO2- 1 102.0561 -1.74
+  107.0501 C7H7O- 1 107.0502 -1.09
+  114.0559 C5H8NO2- 1 114.0561 -1.04
+  119.0502 C8H7O- 1 119.0502 -0.71
+  127.0512 C5H7N2O2- 1 127.0513 -0.58
+  131.0825 C5H11N2O2- 1 131.0826 -0.92
+  139.0873 C7H11N2O- 1 139.0877 -2.61
+  141.0667 C6H9N2O2- 1 141.067 -1.76
+  146.0608 C9H8NO- 1 146.0611 -2.64
+  153.0666 C7H9N2O2- 1 153.067 -2.04
+  155.0822 C7H11N2O2- 1 155.0826 -2.74
+  155.1185 C8H15N2O- 1 155.119 -3.38
+  156.0775 C6H10N3O2- 1 156.0779 -2.47
+  160.0763 C10H10NO- 1 160.0768 -3.14
+  170.0928 C5H10N6O- 2 170.0922 3.92
+  173.1037 C6H13N4O2- 3 173.1044 -3.82
+  227.1185 C14H15N2O- 3 227.119 -2.04
+  229.1339 C12H15N5- 2 229.1333 2.86
+  231.113 C11H13N5O- 2 231.1126 1.7
+PK$NUM_PEAK: 22
+PK$PEAK: m/z int. rel.int.
+  93.0345 93057.2 16
+  99.0201 102261.4 18
+  101.072 520612.2 93
+  102.0559 63671.4 11
+  107.0501 264543.9 47
+  114.0559 125237.5 22
+  119.0502 415090.8 74
+  127.0512 151920.2 27
+  131.0825 5586687 999
+  139.0873 136131.6 24
+  141.0667 277236 49
+  146.0608 340558.7 60
+  153.0666 118400.4 21
+  155.0822 96770.5 17
+  155.1185 61518.7 11
+  156.0775 380157.9 67
+  160.0763 146830.5 26
+  170.0928 106563.1 19
+  173.1037 244427.5 43
+  227.1185 296313.6 52
+  229.1339 632391.8 113
+  231.113 70361.5 12
+//
diff --git a/Eawag/MSBNK-EAWAG-ED080558.txt b/Eawag/MSBNK-EAWAG-ED080558.txt
new file mode 100644
index 0000000000..829861eb60
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED080558.txt
@@ -0,0 +1,83 @@
+ACCESSION: MSBNK-EAWAG-ED080558
+RECORD_TITLE: Anabaenopeptin F; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 805
+CH$NAME: Anabaenopeptin F
+CH$NAME: (2R)-2-(3-((3S,6S,12S,15R)-3-benzyl-12-((R)-sec-butyl)-9-(4-hydroxyphenethyl)-6,7-dimethyl-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)-5-((diaminomethylene)amino)pentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C42H62N10O9
+CH$EXACT_MASS: 850.4701236
+CH$SMILES: C[C@H]1C(N[C@@H](CC2=CC=CC=C2)C(NCCCC[C@@H](NC(N[C@@H](C(O)=O)CCC/N=C(N)\N)=O)C(N[C@@H]([C@H](C)CC)C(NC(CCC3=CC=C(O)C=C3)C(N1C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C42H62N10O9/c1-5-25(2)34-38(57)47-31(21-18-27-16-19-29(53)20-17-27)39(58)52(4)26(3)35(54)48-33(24-28-12-7-6-8-13-28)36(55)45-22-10-9-14-30(37(56)51-34)49-42(61)50-32(40(59)60)15-11-23-46-41(43)44/h6-8,12-13,16-17,19-20,25-26,30-34,53H,5,9-11,14-15,18,21-24H2,1-4H3,(H,45,55)(H,47,57)(H,48,54)(H,51,56)(H,59,60)(H4,43,44,46)(H2,49,50,61)/t25-,26+,30-,31?,32-,33+,34+/m1/s1
+CH$LINK: PUBCHEM CID: 44387258
+CH$LINK: INCHIKEY RAUPUVQHUFXDQT-XQEBCNPXSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 88-887
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.102 min
+MS$FOCUSED_ION: BASE_PEAK 849.4634
+MS$FOCUSED_ION: PRECURSOR_M/Z 849.4628
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-001i-0900000000-ce4356c96b0fef56e1b5
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  93.0344 C6H5O- 1 93.0346 -1.75
+  97.0042 C3HN2O2- 1 97.0044 -1.31
+  98.0122 C3H2N2O2- 1 98.0122 -0.06
+  99.0198 C3H3N2O2- 1 99.02 -2.32
+  101.072 C4H9N2O- 1 101.072 -0.18
+  107.0502 C7H7O- 1 107.0502 -0.59
+  111.02 C4H3N2O2- 1 111.02 -0.28
+  114.056 C5H8NO2- 1 114.0561 -0.7
+  119.0501 C8H7O- 1 119.0502 -0.77
+  127.0513 C5H7N2O2- 1 127.0513 0.26
+  131.0825 C5H11N2O2- 1 131.0826 -0.68
+  139.0871 C7H11N2O- 1 139.0877 -3.93
+  141.0667 C6H9N2O2- 1 141.067 -1.65
+  146.061 C9H8NO- 1 146.0611 -0.86
+  153.0665 C7H9N2O2- 1 153.067 -3.04
+  155.0824 C7H11N2O2- 1 155.0826 -1.36
+  156.0776 C6H10N3O2- 1 156.0779 -1.49
+  160.0763 C10H10NO- 1 160.0768 -3.33
+  173.1038 C6H13N4O2- 3 173.1044 -3.38
+  227.1184 C14H15N2O- 3 227.119 -2.58
+  229.1339 C12H15N5- 2 229.1333 2.66
+PK$NUM_PEAK: 21
+PK$PEAK: m/z int. rel.int.
+  93.0344 89289.7 16
+  97.0042 58626.3 10
+  98.0122 92429.8 17
+  99.0198 101368.4 18
+  101.072 340875.9 62
+  107.0502 236397.6 43
+  111.02 84320.5 15
+  114.056 109061 20
+  119.0501 437723.5 80
+  127.0513 129451.4 23
+  131.0825 5419173.5 999
+  139.0871 94007.9 17
+  141.0667 156931.2 28
+  146.061 191024.2 35
+  153.0665 91322.6 16
+  155.0824 77061.3 14
+  156.0776 220131.7 40
+  160.0763 76938.5 14
+  173.1038 62892.6 11
+  227.1184 134589.7 24
+  229.1339 176267.4 32
+//
diff --git a/Eawag/MSBNK-EAWAG-ED080559.txt b/Eawag/MSBNK-EAWAG-ED080559.txt
new file mode 100644
index 0000000000..2b821d6ca9
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED080559.txt
@@ -0,0 +1,71 @@
+ACCESSION: MSBNK-EAWAG-ED080559
+RECORD_TITLE: Anabaenopeptin F; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 805
+CH$NAME: Anabaenopeptin F
+CH$NAME: (2R)-2-(3-((3S,6S,12S,15R)-3-benzyl-12-((R)-sec-butyl)-9-(4-hydroxyphenethyl)-6,7-dimethyl-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)-5-((diaminomethylene)amino)pentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C42H62N10O9
+CH$EXACT_MASS: 850.4701236
+CH$SMILES: C[C@H]1C(N[C@@H](CC2=CC=CC=C2)C(NCCCC[C@@H](NC(N[C@@H](C(O)=O)CCC/N=C(N)\N)=O)C(N[C@@H]([C@H](C)CC)C(NC(CCC3=CC=C(O)C=C3)C(N1C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C42H62N10O9/c1-5-25(2)34-38(57)47-31(21-18-27-16-19-29(53)20-17-27)39(58)52(4)26(3)35(54)48-33(24-28-12-7-6-8-13-28)36(55)45-22-10-9-14-30(37(56)51-34)49-42(61)50-32(40(59)60)15-11-23-46-41(43)44/h6-8,12-13,16-17,19-20,25-26,30-34,53H,5,9-11,14-15,18,21-24H2,1-4H3,(H,45,55)(H,47,57)(H,48,54)(H,51,56)(H,59,60)(H4,43,44,46)(H2,49,50,61)/t25-,26+,30-,31?,32-,33+,34+/m1/s1
+CH$LINK: PUBCHEM CID: 44387258
+CH$LINK: INCHIKEY RAUPUVQHUFXDQT-XQEBCNPXSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 88-887
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.102 min
+MS$FOCUSED_ION: BASE_PEAK 849.4634
+MS$FOCUSED_ION: PRECURSOR_M/Z 849.4628
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-001i-0900000000-b5237fe1a04093a76258
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  93.0344 C6H5O- 1 93.0346 -2.16
+  97.0043 C3HN2O2- 1 97.0044 -0.6
+  98.0121 C3H2N2O2- 1 98.0122 -0.69
+  99.02 C3H3N2O2- 1 99.02 -0.32
+  101.0719 C4H9N2O- 1 101.072 -1.16
+  107.0501 C7H7O- 1 107.0502 -0.87
+  111.02 C4H3N2O2- 1 111.02 -0.08
+  114.0559 C5H8NO2- 1 114.0561 -1.24
+  119.0501 C8H7O- 1 119.0502 -1.28
+  126.0436 C5H6N2O2- 1 126.0435 1.1
+  127.0507 C5H7N2O2- 1 127.0513 -4.36
+  131.0825 C5H11N2O2- 1 131.0826 -1.03
+  139.0877 C7H11N2O- 1 139.0877 0.02
+  146.0608 C9H8NO- 1 146.0611 -2.12
+  156.0774 C6H10N3O2- 1 156.0779 -3.06
+PK$NUM_PEAK: 15
+PK$PEAK: m/z int. rel.int.
+  93.0344 90879.5 23
+  97.0043 50499.5 12
+  98.0121 67523 17
+  99.02 68800.4 17
+  101.0719 203838.3 52
+  107.0501 169992 43
+  111.02 79109.7 20
+  114.0559 72833.3 18
+  119.0501 346976 88
+  126.0436 46961.6 12
+  127.0507 99091.4 25
+  131.0825 3899349.5 999
+  139.0877 46332.3 11
+  146.0608 75439.1 19
+  156.0774 104075 26
+//
diff --git a/Eawag/MSBNK-EAWAG-ED080951.txt b/Eawag/MSBNK-EAWAG-ED080951.txt
new file mode 100644
index 0000000000..aac840c499
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED080951.txt
@@ -0,0 +1,46 @@
+ACCESSION: MSBNK-EAWAG-ED080951
+RECORD_TITLE: Anabaenopeptin 807; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.05.01
+AUTHORS: E. Janssen [dtc], X. Wang [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 809
+CH$NAME: Anabaenopeptin 807
+CH$NAME: 2-[[3-benzyl-12-butan-2-yl-9-[2-(4-hydroxyphenyl)ethyl]-6,7-dimethyl-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]-3-methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C42H61N7O9
+CH$EXACT_MASS: 807.4530765
+CH$SMILES: O=C(N(C(C)C(NC(CC1=CC=CC=C1)C2=O)=O)C)C(NC(C(C(CC)C)NC(C(CCCCN2)NC(NC(C(CC)C)C(O)=O)=O)=O)=O)CCC3=CC=C(O)C=C3
+CH$IUPAC: InChI=1S/C42H61N7O9/c1-7-25(3)34-39(54)44-32(22-19-28-17-20-30(50)21-18-28)40(55)49(6)27(5)36(51)45-33(24-29-14-10-9-11-15-29)37(52)43-23-13-12-16-31(38(53)47-34)46-42(58)48-35(41(56)57)26(4)8-2/h9-11,14-15,17-18,20-21,25-27,31-35,50H,7-8,12-13,16,19,22-24H2,1-6H3,(H,43,52)(H,44,54)(H,45,51)(H,47,53)(H,56,57)(H2,46,48,58)
+CH$LINK: CHEBI 221508
+CH$LINK: PUBCHEM CID:146684830
+CH$LINK: INCHIKEY DOYBAFJOBDCILF-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 84-844
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.250 min
+MS$FOCUSED_ION: BASE_PEAK 655.3716
+MS$FOCUSED_ION: PRECURSOR_M/Z 806.4458
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03dr-0000009500-5419e04a4a52495cc99f
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  661.3354 C35H45N6O7- 4 661.3355 -0.22
+  788.4351 C42H58N7O8- 1 788.4352 -0.17
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  661.3354 127624.7 999
+  788.4351 74362 582
+//
diff --git a/Eawag/MSBNK-EAWAG-ED080952.txt b/Eawag/MSBNK-EAWAG-ED080952.txt
new file mode 100644
index 0000000000..bc7f8b7d21
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED080952.txt
@@ -0,0 +1,46 @@
+ACCESSION: MSBNK-EAWAG-ED080952
+RECORD_TITLE: Anabaenopeptin 807; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.05.01
+AUTHORS: E. Janssen [dtc], X. Wang [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 809
+CH$NAME: Anabaenopeptin 807
+CH$NAME: 2-[[3-benzyl-12-butan-2-yl-9-[2-(4-hydroxyphenyl)ethyl]-6,7-dimethyl-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]-3-methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C42H61N7O9
+CH$EXACT_MASS: 807.4530765
+CH$SMILES: O=C(N(C(C)C(NC(CC1=CC=CC=C1)C2=O)=O)C)C(NC(C(C(CC)C)NC(C(CCCCN2)NC(NC(C(CC)C)C(O)=O)=O)=O)=O)CCC3=CC=C(O)C=C3
+CH$IUPAC: InChI=1S/C42H61N7O9/c1-7-25(3)34-39(54)44-32(22-19-28-17-20-30(50)21-18-28)40(55)49(6)27(5)36(51)45-33(24-29-14-10-9-11-15-29)37(52)43-23-13-12-16-31(38(53)47-34)46-42(58)48-35(41(56)57)26(4)8-2/h9-11,14-15,17-18,20-21,25-27,31-35,50H,7-8,12-13,16,19,22-24H2,1-6H3,(H,43,52)(H,44,54)(H,45,51)(H,47,53)(H,56,57)(H2,46,48,58)
+CH$LINK: CHEBI 221508
+CH$LINK: PUBCHEM CID:146684830
+CH$LINK: INCHIKEY DOYBAFJOBDCILF-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 84-844
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.250 min
+MS$FOCUSED_ION: BASE_PEAK 655.3716
+MS$FOCUSED_ION: PRECURSOR_M/Z 806.4458
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03di-0000009300-5d7e644e72b1753a9af6
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  661.3356 C35H45N6O7- 4 661.3355 0.15
+  788.4376 C42H58N7O8- 1 788.4352 3.01
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  661.3356 179501.2 999
+  788.4376 72192.8 401
+//
diff --git a/Eawag/MSBNK-EAWAG-ED080953.txt b/Eawag/MSBNK-EAWAG-ED080953.txt
new file mode 100644
index 0000000000..e3e5889c34
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED080953.txt
@@ -0,0 +1,46 @@
+ACCESSION: MSBNK-EAWAG-ED080953
+RECORD_TITLE: Anabaenopeptin 807; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.05.01
+AUTHORS: E. Janssen [dtc], X. Wang [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 809
+CH$NAME: Anabaenopeptin 807
+CH$NAME: 2-[[3-benzyl-12-butan-2-yl-9-[2-(4-hydroxyphenyl)ethyl]-6,7-dimethyl-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]-3-methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C42H61N7O9
+CH$EXACT_MASS: 807.4530765
+CH$SMILES: O=C(N(C(C)C(NC(CC1=CC=CC=C1)C2=O)=O)C)C(NC(C(C(CC)C)NC(C(CCCCN2)NC(NC(C(CC)C)C(O)=O)=O)=O)=O)CCC3=CC=C(O)C=C3
+CH$IUPAC: InChI=1S/C42H61N7O9/c1-7-25(3)34-39(54)44-32(22-19-28-17-20-30(50)21-18-28)40(55)49(6)27(5)36(51)45-33(24-29-14-10-9-11-15-29)37(52)43-23-13-12-16-31(38(53)47-34)46-42(58)48-35(41(56)57)26(4)8-2/h9-11,14-15,17-18,20-21,25-27,31-35,50H,7-8,12-13,16,19,22-24H2,1-6H3,(H,43,52)(H,44,54)(H,45,51)(H,47,53)(H,56,57)(H2,46,48,58)
+CH$LINK: CHEBI 221508
+CH$LINK: PUBCHEM CID:146684830
+CH$LINK: INCHIKEY DOYBAFJOBDCILF-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 84-844
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.250 min
+MS$FOCUSED_ION: BASE_PEAK 655.3716
+MS$FOCUSED_ION: PRECURSOR_M/Z 806.4458
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03di-0000009300-21fa2ef18fdc879239e5
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  661.3351 C35H45N6O7- 4 661.3355 -0.59
+  788.4325 C42H58N7O8- 1 788.4352 -3.5
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  661.3351 177682.9 999
+  788.4325 64591.3 363
+//
diff --git a/Eawag/MSBNK-EAWAG-ED080954.txt b/Eawag/MSBNK-EAWAG-ED080954.txt
new file mode 100644
index 0000000000..08ddf5b7a2
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED080954.txt
@@ -0,0 +1,46 @@
+ACCESSION: MSBNK-EAWAG-ED080954
+RECORD_TITLE: Anabaenopeptin 807; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.05.01
+AUTHORS: E. Janssen [dtc], X. Wang [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 809
+CH$NAME: Anabaenopeptin 807
+CH$NAME: 2-[[3-benzyl-12-butan-2-yl-9-[2-(4-hydroxyphenyl)ethyl]-6,7-dimethyl-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]-3-methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C42H61N7O9
+CH$EXACT_MASS: 807.4530765
+CH$SMILES: O=C(N(C(C)C(NC(CC1=CC=CC=C1)C2=O)=O)C)C(NC(C(C(CC)C)NC(C(CCCCN2)NC(NC(C(CC)C)C(O)=O)=O)=O)=O)CCC3=CC=C(O)C=C3
+CH$IUPAC: InChI=1S/C42H61N7O9/c1-7-25(3)34-39(54)44-32(22-19-28-17-20-30(50)21-18-28)40(55)49(6)27(5)36(51)45-33(24-29-14-10-9-11-15-29)37(52)43-23-13-12-16-31(38(53)47-34)46-42(58)48-35(41(56)57)26(4)8-2/h9-11,14-15,17-18,20-21,25-27,31-35,50H,7-8,12-13,16,19,22-24H2,1-6H3,(H,43,52)(H,44,54)(H,45,51)(H,47,53)(H,56,57)(H2,46,48,58)
+CH$LINK: CHEBI 221508
+CH$LINK: PUBCHEM CID:146684830
+CH$LINK: INCHIKEY DOYBAFJOBDCILF-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 84-844
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.250 min
+MS$FOCUSED_ION: BASE_PEAK 655.3716
+MS$FOCUSED_ION: PRECURSOR_M/Z 806.4458
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03di-0000009300-62e81f0920d77881f114
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  661.3339 C35H45N6O7- 2 661.3355 -2.53
+  788.4353 C42H58N7O8- 1 788.4352 0.14
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  661.3339 112621.7 999
+  788.4353 38636.8 342
+//
diff --git a/Eawag/MSBNK-EAWAG-ED081101.txt b/Eawag/MSBNK-EAWAG-ED081101.txt
new file mode 100644
index 0000000000..0b315064ae
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED081101.txt
@@ -0,0 +1,53 @@
+ACCESSION: MSBNK-EAWAG-ED081101
+RECORD_TITLE: Schizopeptin 791; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1093/femsec/fiaa243
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 811
+CH$NAME: Schizopeptin 791
+CH$NAME: (((3S,6S,9S,12S,15R)-3-benzyl-12-((S)-sec-butyl)-6,7-dimethyl-2,5,8,11,14-pentaoxo-9-phenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)carbamoyl)-L-isoleucine
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C42H61N7O8
+CH$EXACT_MASS: 791.4581619
+CH$SMILES: C[C@H]([C@H]1C(N[C@@H](CCC2=CC=CC=C2)C(N(C)[C@@H](C)C(N[C@@H](CC3=CC=CC=C3)C(NCCCC[C@@H](NC(N[C@H](C(O)=O)[C@H](CC)C)=O)C(N1)=O)=O)=O)=O)=O)CC
+CH$IUPAC: InChI=1S/C42H61N7O8/c1-7-26(3)34-39(53)44-32(23-22-29-17-11-9-12-18-29)40(54)49(6)28(5)36(50)45-33(25-30-19-13-10-14-20-30)37(51)43-24-16-15-21-31(38(52)47-34)46-42(57)48-35(41(55)56)27(4)8-2/h9-14,17-20,26-28,31-35H,7-8,15-16,21-25H2,1-6H3,(H,43,51)(H,44,53)(H,45,50)(H,47,52)(H,55,56)(H2,46,48,57)/t26-,27-,28-,31+,32-,33-,34-,35-/m0/s1
+CH$LINK: PUBCHEM CID:10985632
+CH$LINK: INCHIKEY UHGIIADZWWCEKS-NDSQDYTJSA-N
+CH$LINK: CHEMSPIDER 8570954
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 82-829
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.391 min
+MS$FOCUSED_ION: BASE_PEAK 111.0205
+MS$FOCUSED_ION: PRECURSOR_M/Z 792.4654
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0006-0000000900-3b4cfdc92e372d60b913
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  635.3908 C35H51N6O5+ 3 635.3915 -1.13
+  661.3703 C36H49N6O6+ 4 661.3708 -0.72
+  764.4707 C41H62N7O7+ 1 764.4705 0.25
+  774.4538 C42H60N7O7+ 1 774.4549 -1.45
+  792.4646 C42H62N7O8+ 1 792.4654 -1.11
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  635.3908 185273.8 51
+  661.3703 123196 34
+  764.4707 83432.3 23
+  774.4538 88202.8 24
+  792.4646 3566484.2 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED081102.txt b/Eawag/MSBNK-EAWAG-ED081102.txt
new file mode 100644
index 0000000000..b6ec8e0d88
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED081102.txt
@@ -0,0 +1,65 @@
+ACCESSION: MSBNK-EAWAG-ED081102
+RECORD_TITLE: Schizopeptin 791; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1093/femsec/fiaa243
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 811
+CH$NAME: Schizopeptin 791
+CH$NAME: (((3S,6S,9S,12S,15R)-3-benzyl-12-((S)-sec-butyl)-6,7-dimethyl-2,5,8,11,14-pentaoxo-9-phenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)carbamoyl)-L-isoleucine
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C42H61N7O8
+CH$EXACT_MASS: 791.4581619
+CH$SMILES: C[C@H]([C@H]1C(N[C@@H](CCC2=CC=CC=C2)C(N(C)[C@@H](C)C(N[C@@H](CC3=CC=CC=C3)C(NCCCC[C@@H](NC(N[C@H](C(O)=O)[C@H](CC)C)=O)C(N1)=O)=O)=O)=O)=O)CC
+CH$IUPAC: InChI=1S/C42H61N7O8/c1-7-26(3)34-39(53)44-32(23-22-29-17-11-9-12-18-29)40(54)49(6)28(5)36(50)45-33(25-30-19-13-10-14-20-30)37(51)43-24-16-15-21-31(38(52)47-34)46-42(57)48-35(41(55)56)27(4)8-2/h9-14,17-20,26-28,31-35H,7-8,15-16,21-25H2,1-6H3,(H,43,51)(H,44,53)(H,45,50)(H,47,52)(H,55,56)(H2,46,48,57)/t26-,27-,28-,31+,32-,33-,34-,35-/m0/s1
+CH$LINK: PUBCHEM CID:10985632
+CH$LINK: INCHIKEY UHGIIADZWWCEKS-NDSQDYTJSA-N
+CH$LINK: CHEMSPIDER 8570954
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 82-829
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.391 min
+MS$FOCUSED_ION: BASE_PEAK 111.0205
+MS$FOCUSED_ION: PRECURSOR_M/Z 792.4654
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0006-1000006900-36bd04f59499bf6203e0
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  84.0808 C5H10N+ 1 84.0808 0.61
+  114.055 C5H8NO2+ 1 114.055 0.67
+  247.1437 C14H19N2O2+ 3 247.1441 -1.54
+  490.3014 C25H40N5O5+ 3 490.3024 -1.99
+  518.2974 C26H40N5O6+ 4 518.2973 0.2
+  631.3816 C32H51N6O7+ 3 631.3814 0.37
+  635.3913 C35H51N6O5+ 5 635.3915 -0.36
+  661.3708 C36H49N6O6+ 4 661.3708 -0.08
+  679.3815 C36H51N6O7+ 3 679.3814 0.2
+  764.4711 C41H62N7O7+ 1 764.4705 0.73
+  792.4655 C42H62N7O8+ 1 792.4654 0.05
+PK$NUM_PEAK: 11
+PK$PEAK: m/z int. rel.int.
+  84.0808 185157.3 136
+  114.055 23314.1 17
+  247.1437 93093.4 68
+  490.3014 60105.4 44
+  518.2974 123674.1 90
+  631.3816 292403.5 214
+  635.3913 423423.8 311
+  661.3708 319076.3 234
+  679.3815 114375.3 84
+  764.4711 221101 162
+  792.4655 1359755 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED081103.txt b/Eawag/MSBNK-EAWAG-ED081103.txt
new file mode 100644
index 0000000000..739ea5cd3e
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED081103.txt
@@ -0,0 +1,73 @@
+ACCESSION: MSBNK-EAWAG-ED081103
+RECORD_TITLE: Schizopeptin 791; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1093/femsec/fiaa243
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 811
+CH$NAME: Schizopeptin 791
+CH$NAME: (((3S,6S,9S,12S,15R)-3-benzyl-12-((S)-sec-butyl)-6,7-dimethyl-2,5,8,11,14-pentaoxo-9-phenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)carbamoyl)-L-isoleucine
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C42H61N7O8
+CH$EXACT_MASS: 791.4581619
+CH$SMILES: C[C@H]([C@H]1C(N[C@@H](CCC2=CC=CC=C2)C(N(C)[C@@H](C)C(N[C@@H](CC3=CC=CC=C3)C(NCCCC[C@@H](NC(N[C@H](C(O)=O)[C@H](CC)C)=O)C(N1)=O)=O)=O)=O)=O)CC
+CH$IUPAC: InChI=1S/C42H61N7O8/c1-7-26(3)34-39(53)44-32(23-22-29-17-11-9-12-18-29)40(54)49(6)28(5)36(50)45-33(25-30-19-13-10-14-20-30)37(51)43-24-16-15-21-31(38(52)47-34)46-42(57)48-35(41(55)56)27(4)8-2/h9-14,17-20,26-28,31-35H,7-8,15-16,21-25H2,1-6H3,(H,43,51)(H,44,53)(H,45,50)(H,47,52)(H,55,56)(H2,46,48,57)/t26-,27-,28-,31+,32-,33-,34-,35-/m0/s1
+CH$LINK: PUBCHEM CID:10985632
+CH$LINK: INCHIKEY UHGIIADZWWCEKS-NDSQDYTJSA-N
+CH$LINK: CHEMSPIDER 8570954
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 82-829
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.391 min
+MS$FOCUSED_ION: BASE_PEAK 111.0205
+MS$FOCUSED_ION: PRECURSOR_M/Z 792.4654
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-001i-4021209100-fd43dc9d5348aa896be3
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  84.0808 C5H10N+ 1 84.0808 0.16
+  86.06 C4H8NO+ 1 86.06 -0.35
+  114.0548 C5H8NO2+ 1 114.055 -1.34
+  231.1485 C14H19N2O+ 3 231.1492 -2.78
+  233.1274 C11H15N5O+ 2 233.1271 1.06
+  247.1438 C14H19N2O2+ 3 247.1441 -1.29
+  360.2283 C18H28N6O2+ 3 360.2268 4.07
+  405.2092 C15H29N6O7+ 4 405.2092 -0.17
+  490.3008 C25H40N5O5+ 3 490.3024 -3.23
+  500.2854 C26H38N5O5+ 2 500.2867 -2.71
+  631.3801 C32H51N6O7+ 2 631.3814 -2.04
+  633.376 C37H51N3O6+ 5 633.3772 -1.96
+  635.3909 C35H51N6O5+ 3 635.3915 -1.03
+  661.3701 C36H49N6O6+ 2 661.3708 -1.09
+  792.4654 C42H62N7O8+ 1 792.4654 -0.11
+PK$NUM_PEAK: 15
+PK$PEAK: m/z int. rel.int.
+  84.0808 431573.5 999
+  86.06 23213.1 53
+  114.0548 81505.3 188
+  231.1485 61902.5 143
+  233.1274 55350.4 128
+  247.1438 149226.1 345
+  360.2283 114178.6 264
+  405.2092 155493.5 359
+  490.3008 99398.5 230
+  500.2854 72328.1 167
+  631.3801 282869.2 654
+  633.376 163165.5 377
+  635.3909 210894.1 488
+  661.3701 162494.5 376
+  792.4654 156440.5 362
+//
diff --git a/Eawag/MSBNK-EAWAG-ED081104.txt b/Eawag/MSBNK-EAWAG-ED081104.txt
new file mode 100644
index 0000000000..0c4edba787
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED081104.txt
@@ -0,0 +1,69 @@
+ACCESSION: MSBNK-EAWAG-ED081104
+RECORD_TITLE: Schizopeptin 791; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1093/femsec/fiaa243
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 811
+CH$NAME: Schizopeptin 791
+CH$NAME: (((3S,6S,9S,12S,15R)-3-benzyl-12-((S)-sec-butyl)-6,7-dimethyl-2,5,8,11,14-pentaoxo-9-phenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)carbamoyl)-L-isoleucine
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C42H61N7O8
+CH$EXACT_MASS: 791.4581619
+CH$SMILES: C[C@H]([C@H]1C(N[C@@H](CCC2=CC=CC=C2)C(N(C)[C@@H](C)C(N[C@@H](CC3=CC=CC=C3)C(NCCCC[C@@H](NC(N[C@H](C(O)=O)[C@H](CC)C)=O)C(N1)=O)=O)=O)=O)=O)CC
+CH$IUPAC: InChI=1S/C42H61N7O8/c1-7-26(3)34-39(53)44-32(23-22-29-17-11-9-12-18-29)40(54)49(6)28(5)36(50)45-33(25-30-19-13-10-14-20-30)37(51)43-24-16-15-21-31(38(52)47-34)46-42(57)48-35(41(55)56)27(4)8-2/h9-14,17-20,26-28,31-35H,7-8,15-16,21-25H2,1-6H3,(H,43,51)(H,44,53)(H,45,50)(H,47,52)(H,55,56)(H2,46,48,57)/t26-,27-,28-,31+,32-,33-,34-,35-/m0/s1
+CH$LINK: PUBCHEM CID:10985632
+CH$LINK: INCHIKEY UHGIIADZWWCEKS-NDSQDYTJSA-N
+CH$LINK: CHEMSPIDER 8570954
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 82-829
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.391 min
+MS$FOCUSED_ION: BASE_PEAK 111.0205
+MS$FOCUSED_ION: PRECURSOR_M/Z 792.4654
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-001i-9221102000-83c7ce36a6b58cc3f65b
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  84.0808 C5H10N+ 1 84.0808 -0.11
+  86.06 C4H8NO+ 1 86.06 -0.7
+  114.0548 C5H8NO2+ 1 114.055 -1.21
+  129.1022 C6H13N2O+ 1 129.1022 -0.66
+  205.1333 C12H17N2O+ 1 205.1335 -1.13
+  231.1485 C14H19N2O+ 3 231.1492 -2.78
+  247.1438 C14H19N2O2+ 3 247.1441 -1.11
+  275.1747 C16H23N2O2+ 3 275.1754 -2.45
+  360.227 C18H28N6O2+ 3 360.2268 0.51
+  401.2547 C22H33N4O3+ 4 401.2547 -0.09
+  490.3006 C25H40N5O5+ 3 490.3024 -3.61
+  631.3805 C32H51N6O7+ 2 631.3814 -1.46
+  633.3761 C37H51N3O6+ 5 633.3772 -1.87
+PK$NUM_PEAK: 13
+PK$PEAK: m/z int. rel.int.
+  84.0808 676460 999
+  86.06 65681.3 96
+  114.0548 161452.1 238
+  129.1022 16176.8 23
+  205.1333 22241.1 32
+  231.1485 91241.1 134
+  247.1438 103835.6 153
+  275.1747 28057.6 41
+  360.227 111783.9 165
+  401.2547 48722.9 71
+  490.3006 91337.2 134
+  631.3805 91500.5 135
+  633.3761 99883.3 147
+//
diff --git a/Eawag/MSBNK-EAWAG-ED081105.txt b/Eawag/MSBNK-EAWAG-ED081105.txt
new file mode 100644
index 0000000000..f90d01e0fc
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED081105.txt
@@ -0,0 +1,71 @@
+ACCESSION: MSBNK-EAWAG-ED081105
+RECORD_TITLE: Schizopeptin 791; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1093/femsec/fiaa243
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 811
+CH$NAME: Schizopeptin 791
+CH$NAME: (((3S,6S,9S,12S,15R)-3-benzyl-12-((S)-sec-butyl)-6,7-dimethyl-2,5,8,11,14-pentaoxo-9-phenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)carbamoyl)-L-isoleucine
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C42H61N7O8
+CH$EXACT_MASS: 791.4581619
+CH$SMILES: C[C@H]([C@H]1C(N[C@@H](CCC2=CC=CC=C2)C(N(C)[C@@H](C)C(N[C@@H](CC3=CC=CC=C3)C(NCCCC[C@@H](NC(N[C@H](C(O)=O)[C@H](CC)C)=O)C(N1)=O)=O)=O)=O)=O)CC
+CH$IUPAC: InChI=1S/C42H61N7O8/c1-7-26(3)34-39(53)44-32(23-22-29-17-11-9-12-18-29)40(54)49(6)28(5)36(50)45-33(25-30-19-13-10-14-20-30)37(51)43-24-16-15-21-31(38(52)47-34)46-42(57)48-35(41(55)56)27(4)8-2/h9-14,17-20,26-28,31-35H,7-8,15-16,21-25H2,1-6H3,(H,43,51)(H,44,53)(H,45,50)(H,47,52)(H,55,56)(H2,46,48,57)/t26-,27-,28-,31+,32-,33-,34-,35-/m0/s1
+CH$LINK: PUBCHEM CID:10985632
+CH$LINK: INCHIKEY UHGIIADZWWCEKS-NDSQDYTJSA-N
+CH$LINK: CHEMSPIDER 8570954
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 82-829
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.391 min
+MS$FOCUSED_ION: BASE_PEAK 111.0205
+MS$FOCUSED_ION: PRECURSOR_M/Z 792.4654
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-001i-9321100000-086bc5eb2a944f93e0c6
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  84.0808 C5H10N+ 1 84.0808 0.07
+  86.06 C4H8NO+ 1 86.06 0.1
+  86.0963 C5H12N+ 1 86.0964 -1.6
+  114.0549 C5H8NO2+ 1 114.055 -0.34
+  120.0807 C8H10N+ 1 120.0808 -0.99
+  129.102 C6H13N2O+ 1 129.1022 -1.61
+  134.0963 C9H12N+ 1 134.0964 -0.98
+  205.133 C12H17N2O+ 2 205.1335 -2.39
+  231.1484 C12H17N5+ 2 231.1478 2.37
+  240.1701 C12H22N3O2+ 2 240.1707 -2.3
+  247.1803 C13H21N5+ 3 247.1791 4.84
+  275.1755 C16H23N2O2+ 2 275.1754 0.21
+  320.1598 C16H22N3O4+ 2 320.1605 -2.1
+  405.2095 C15H29N6O7+ 3 405.2092 0.74
+PK$NUM_PEAK: 14
+PK$PEAK: m/z int. rel.int.
+  84.0808 756061.9 999
+  86.06 123861.8 163
+  86.0963 40490.9 53
+  114.0549 200682.2 265
+  120.0807 50817.5 67
+  129.102 58103.9 76
+  134.0963 49238.4 65
+  205.133 84656.5 111
+  231.1484 69398.1 91
+  240.1701 53440.4 70
+  247.1803 39842.5 52
+  275.1755 15843.5 20
+  320.1598 161997 214
+  405.2095 188018.4 248
+//
diff --git a/Eawag/MSBNK-EAWAG-ED081106.txt b/Eawag/MSBNK-EAWAG-ED081106.txt
new file mode 100644
index 0000000000..26981b2c53
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED081106.txt
@@ -0,0 +1,67 @@
+ACCESSION: MSBNK-EAWAG-ED081106
+RECORD_TITLE: Schizopeptin 791; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1093/femsec/fiaa243
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 811
+CH$NAME: Schizopeptin 791
+CH$NAME: (((3S,6S,9S,12S,15R)-3-benzyl-12-((S)-sec-butyl)-6,7-dimethyl-2,5,8,11,14-pentaoxo-9-phenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)carbamoyl)-L-isoleucine
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C42H61N7O8
+CH$EXACT_MASS: 791.4581619
+CH$SMILES: C[C@H]([C@H]1C(N[C@@H](CCC2=CC=CC=C2)C(N(C)[C@@H](C)C(N[C@@H](CC3=CC=CC=C3)C(NCCCC[C@@H](NC(N[C@H](C(O)=O)[C@H](CC)C)=O)C(N1)=O)=O)=O)=O)=O)CC
+CH$IUPAC: InChI=1S/C42H61N7O8/c1-7-26(3)34-39(53)44-32(23-22-29-17-11-9-12-18-29)40(54)49(6)28(5)36(50)45-33(25-30-19-13-10-14-20-30)37(51)43-24-16-15-21-31(38(52)47-34)46-42(57)48-35(41(55)56)27(4)8-2/h9-14,17-20,26-28,31-35H,7-8,15-16,21-25H2,1-6H3,(H,43,51)(H,44,53)(H,45,50)(H,47,52)(H,55,56)(H2,46,48,57)/t26-,27-,28-,31+,32-,33-,34-,35-/m0/s1
+CH$LINK: PUBCHEM CID:10985632
+CH$LINK: INCHIKEY UHGIIADZWWCEKS-NDSQDYTJSA-N
+CH$LINK: CHEMSPIDER 8570954
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 82-829
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.391 min
+MS$FOCUSED_ION: BASE_PEAK 111.0205
+MS$FOCUSED_ION: PRECURSOR_M/Z 792.4654
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-001i-9501000000-d5a951bc2d2a6a46ec7b
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  84.0808 C5H10N+ 1 84.0808 0.34
+  86.0601 C4H8NO+ 1 86.06 0.54
+  86.0966 C5H12N+ 1 86.0964 1.59
+  114.0549 C5H8NO2+ 1 114.055 -0.6
+  117.0702 C9H9+ 1 117.0699 2.53
+  120.0808 C8H10N+ 1 120.0808 -0.04
+  129.1021 C6H13N2O+ 1 129.1022 -1.37
+  134.0965 C9H12N+ 1 134.0964 0.27
+  173.0916 C7H13N2O3+ 2 173.0921 -2.76
+  188.1434 C13H18N+ 1 188.1434 0.16
+  231.1492 C14H19N2O+ 2 231.1492 -0.14
+  320.1602 C16H22N3O4+ 2 320.1605 -0.86
+PK$NUM_PEAK: 12
+PK$PEAK: m/z int. rel.int.
+  84.0808 667763.9 999
+  86.0601 178072 266
+  86.0966 69265.8 103
+  114.0549 97508.8 145
+  117.0702 20515.2 30
+  120.0808 193084.4 288
+  129.1021 83023.1 124
+  134.0965 68134.3 101
+  173.0916 32924.3 49
+  188.1434 33518.3 50
+  231.1492 38596.6 57
+  320.1602 140937.6 210
+//
diff --git a/Eawag/MSBNK-EAWAG-ED081107.txt b/Eawag/MSBNK-EAWAG-ED081107.txt
new file mode 100644
index 0000000000..33379a9c2c
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED081107.txt
@@ -0,0 +1,67 @@
+ACCESSION: MSBNK-EAWAG-ED081107
+RECORD_TITLE: Schizopeptin 791; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1093/femsec/fiaa243
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 811
+CH$NAME: Schizopeptin 791
+CH$NAME: (((3S,6S,9S,12S,15R)-3-benzyl-12-((S)-sec-butyl)-6,7-dimethyl-2,5,8,11,14-pentaoxo-9-phenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)carbamoyl)-L-isoleucine
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C42H61N7O8
+CH$EXACT_MASS: 791.4581619
+CH$SMILES: C[C@H]([C@H]1C(N[C@@H](CCC2=CC=CC=C2)C(N(C)[C@@H](C)C(N[C@@H](CC3=CC=CC=C3)C(NCCCC[C@@H](NC(N[C@H](C(O)=O)[C@H](CC)C)=O)C(N1)=O)=O)=O)=O)=O)CC
+CH$IUPAC: InChI=1S/C42H61N7O8/c1-7-26(3)34-39(53)44-32(23-22-29-17-11-9-12-18-29)40(54)49(6)28(5)36(50)45-33(25-30-19-13-10-14-20-30)37(51)43-24-16-15-21-31(38(52)47-34)46-42(57)48-35(41(55)56)27(4)8-2/h9-14,17-20,26-28,31-35H,7-8,15-16,21-25H2,1-6H3,(H,43,51)(H,44,53)(H,45,50)(H,47,52)(H,55,56)(H2,46,48,57)/t26-,27-,28-,31+,32-,33-,34-,35-/m0/s1
+CH$LINK: PUBCHEM CID:10985632
+CH$LINK: INCHIKEY UHGIIADZWWCEKS-NDSQDYTJSA-N
+CH$LINK: CHEMSPIDER 8570954
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 82-829
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.391 min
+MS$FOCUSED_ION: BASE_PEAK 111.0205
+MS$FOCUSED_ION: PRECURSOR_M/Z 792.4654
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-001i-9500000000-2b383a61826d9951adeb
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  84.0808 C5H10N+ 1 84.0808 -0.02
+  86.0601 C4H8NO+ 1 86.06 0.45
+  86.0965 C5H12N+ 1 86.0964 0.35
+  114.0546 C5H8NO2+ 1 114.055 -3.35
+  117.07 C9H9+ 1 117.0699 0.96
+  120.0807 C8H10N+ 1 120.0808 -0.92
+  129.1018 C6H13N2O+ 1 129.1022 -3.62
+  134.0962 C9H12N+ 1 134.0964 -1.78
+  155.0811 C7H11N2O2+ 1 155.0815 -2.81
+  173.0917 C7H13N2O3+ 1 173.0921 -2.14
+  188.1426 C13H18N+ 1 188.1434 -4.3
+  240.1702 C12H22N3O2+ 2 240.1707 -1.99
+PK$NUM_PEAK: 12
+PK$PEAK: m/z int. rel.int.
+  84.0808 770398.1 999
+  86.0601 176235.8 228
+  86.0965 93523.7 121
+  114.0546 41531.8 53
+  117.07 38251.3 49
+  120.0807 334701.9 434
+  129.1018 75039.1 97
+  134.0962 66415.3 86
+  155.0811 41830.5 54
+  173.0917 39369.6 51
+  188.1426 50243.1 65
+  240.1702 60288 78
+//
diff --git a/Eawag/MSBNK-EAWAG-ED081108.txt b/Eawag/MSBNK-EAWAG-ED081108.txt
new file mode 100644
index 0000000000..80090a65ad
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED081108.txt
@@ -0,0 +1,63 @@
+ACCESSION: MSBNK-EAWAG-ED081108
+RECORD_TITLE: Schizopeptin 791; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1093/femsec/fiaa243
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 811
+CH$NAME: Schizopeptin 791
+CH$NAME: (((3S,6S,9S,12S,15R)-3-benzyl-12-((S)-sec-butyl)-6,7-dimethyl-2,5,8,11,14-pentaoxo-9-phenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)carbamoyl)-L-isoleucine
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C42H61N7O8
+CH$EXACT_MASS: 791.4581619
+CH$SMILES: C[C@H]([C@H]1C(N[C@@H](CCC2=CC=CC=C2)C(N(C)[C@@H](C)C(N[C@@H](CC3=CC=CC=C3)C(NCCCC[C@@H](NC(N[C@H](C(O)=O)[C@H](CC)C)=O)C(N1)=O)=O)=O)=O)=O)CC
+CH$IUPAC: InChI=1S/C42H61N7O8/c1-7-26(3)34-39(53)44-32(23-22-29-17-11-9-12-18-29)40(54)49(6)28(5)36(50)45-33(25-30-19-13-10-14-20-30)37(51)43-24-16-15-21-31(38(52)47-34)46-42(57)48-35(41(55)56)27(4)8-2/h9-14,17-20,26-28,31-35H,7-8,15-16,21-25H2,1-6H3,(H,43,51)(H,44,53)(H,45,50)(H,47,52)(H,55,56)(H2,46,48,57)/t26-,27-,28-,31+,32-,33-,34-,35-/m0/s1
+CH$LINK: PUBCHEM CID:10985632
+CH$LINK: INCHIKEY UHGIIADZWWCEKS-NDSQDYTJSA-N
+CH$LINK: CHEMSPIDER 8570954
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 82-829
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.391 min
+MS$FOCUSED_ION: BASE_PEAK 111.0205
+MS$FOCUSED_ION: PRECURSOR_M/Z 792.4654
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0089-9400000000-c39768d16010ff9cf734
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  84.0808 C5H10N+ 1 84.0808 -0.11
+  86.06 C4H8NO+ 1 86.06 -0.44
+  86.0964 C5H12N+ 1 86.0964 -0.8
+  91.0542 C7H7+ 1 91.0542 0.2
+  103.0542 C8H7+ 1 103.0542 0.05
+  105.07 C8H9+ 1 105.0699 0.86
+  117.0699 C9H9+ 1 117.0699 0.51
+  120.0807 C8H10N+ 1 120.0808 -0.92
+  173.0916 C7H13N2O3+ 1 173.0921 -2.67
+  188.1431 C13H18N+ 1 188.1434 -1.38
+PK$NUM_PEAK: 10
+PK$PEAK: m/z int. rel.int.
+  84.0808 756232.4 999
+  86.06 172293.5 227
+  86.0964 87848.1 116
+  91.0542 80000.3 105
+  103.0542 20833.2 27
+  105.07 21319.1 28
+  117.0699 47421.7 62
+  120.0807 384985.2 508
+  173.0916 21901.2 28
+  188.1431 24006.7 31
+//
diff --git a/Eawag/MSBNK-EAWAG-ED081109.txt b/Eawag/MSBNK-EAWAG-ED081109.txt
new file mode 100644
index 0000000000..a99bf7a7c7
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED081109.txt
@@ -0,0 +1,59 @@
+ACCESSION: MSBNK-EAWAG-ED081109
+RECORD_TITLE: Schizopeptin 791; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1093/femsec/fiaa243
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 811
+CH$NAME: Schizopeptin 791
+CH$NAME: (((3S,6S,9S,12S,15R)-3-benzyl-12-((S)-sec-butyl)-6,7-dimethyl-2,5,8,11,14-pentaoxo-9-phenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)carbamoyl)-L-isoleucine
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C42H61N7O8
+CH$EXACT_MASS: 791.4581619
+CH$SMILES: C[C@H]([C@H]1C(N[C@@H](CCC2=CC=CC=C2)C(N(C)[C@@H](C)C(N[C@@H](CC3=CC=CC=C3)C(NCCCC[C@@H](NC(N[C@H](C(O)=O)[C@H](CC)C)=O)C(N1)=O)=O)=O)=O)=O)CC
+CH$IUPAC: InChI=1S/C42H61N7O8/c1-7-26(3)34-39(53)44-32(23-22-29-17-11-9-12-18-29)40(54)49(6)28(5)36(50)45-33(25-30-19-13-10-14-20-30)37(51)43-24-16-15-21-31(38(52)47-34)46-42(57)48-35(41(55)56)27(4)8-2/h9-14,17-20,26-28,31-35H,7-8,15-16,21-25H2,1-6H3,(H,43,51)(H,44,53)(H,45,50)(H,47,52)(H,55,56)(H2,46,48,57)/t26-,27-,28-,31+,32-,33-,34-,35-/m0/s1
+CH$LINK: PUBCHEM CID:10985632
+CH$LINK: INCHIKEY UHGIIADZWWCEKS-NDSQDYTJSA-N
+CH$LINK: CHEMSPIDER 8570954
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 82-829
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.391 min
+MS$FOCUSED_ION: BASE_PEAK 111.0205
+MS$FOCUSED_ION: PRECURSOR_M/Z 792.4654
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0089-9300000000-0c88c04887701e80f518
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  84.0808 C5H10N+ 1 84.0808 -0.11
+  86.06 C4H8NO+ 1 86.06 -0.35
+  86.0964 C5H12N+ 1 86.0964 -0.44
+  91.0542 C7H7+ 1 91.0542 -0.22
+  103.0542 C8H7+ 1 103.0542 -0.62
+  105.0698 C8H9+ 1 105.0699 -0.45
+  120.0806 C8H10N+ 1 120.0808 -1.12
+  129.1025 C6H13N2O+ 1 129.1022 2.29
+PK$NUM_PEAK: 8
+PK$PEAK: m/z int. rel.int.
+  84.0808 766310.6 999
+  86.06 115520.9 150
+  86.0964 83751.1 109
+  91.0542 126543.8 164
+  103.0542 37808.9 49
+  105.0698 33306.8 43
+  120.0806 385476.9 502
+  129.1025 28102.1 36
+//
diff --git a/Eawag/MSBNK-EAWAG-ED081151.txt b/Eawag/MSBNK-EAWAG-ED081151.txt
new file mode 100644
index 0000000000..823445cfb4
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED081151.txt
@@ -0,0 +1,51 @@
+ACCESSION: MSBNK-EAWAG-ED081151
+RECORD_TITLE: Schizopeptin 791; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1093/femsec/fiaa243
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 811
+CH$NAME: Schizopeptin 791
+CH$NAME: (((3S,6S,9S,12S,15R)-3-benzyl-12-((S)-sec-butyl)-6,7-dimethyl-2,5,8,11,14-pentaoxo-9-phenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)carbamoyl)-L-isoleucine
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C42H61N7O8
+CH$EXACT_MASS: 791.4581619
+CH$SMILES: C[C@H]([C@H]1C(N[C@@H](CCC2=CC=CC=C2)C(N(C)[C@@H](C)C(N[C@@H](CC3=CC=CC=C3)C(NCCCC[C@@H](NC(N[C@H](C(O)=O)[C@H](CC)C)=O)C(N1)=O)=O)=O)=O)=O)CC
+CH$IUPAC: InChI=1S/C42H61N7O8/c1-7-26(3)34-39(53)44-32(23-22-29-17-11-9-12-18-29)40(54)49(6)28(5)36(50)45-33(25-30-19-13-10-14-20-30)37(51)43-24-16-15-21-31(38(52)47-34)46-42(57)48-35(41(55)56)27(4)8-2/h9-14,17-20,26-28,31-35H,7-8,15-16,21-25H2,1-6H3,(H,43,51)(H,44,53)(H,45,50)(H,47,52)(H,55,56)(H2,46,48,57)/t26-,27-,28-,31+,32-,33-,34-,35-/m0/s1
+CH$LINK: PUBCHEM CID:10985632
+CH$LINK: INCHIKEY UHGIIADZWWCEKS-NDSQDYTJSA-N
+CH$LINK: CHEMSPIDER 8570954
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 82-827
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.405 min
+MS$FOCUSED_ION: BASE_PEAK 307.1909
+MS$FOCUSED_ION: PRECURSOR_M/Z 790.4509
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0a4i-0000009600-09be327dabf4cf88ee0e
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  659.3563 C36H47N6O6- 4 659.3563 -0.01
+  660.3582 C42H48N2O5- 2 660.3569 2.02
+  772.4401 C42H58N7O7- 1 772.4403 -0.27
+  790.4511 C42H60N7O8- 1 790.4509 0.22
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  659.3563 2126265 999
+  660.3582 63988.9 30
+  772.4401 834579.3 392
+  790.4511 669848.6 314
+//
diff --git a/Eawag/MSBNK-EAWAG-ED081152.txt b/Eawag/MSBNK-EAWAG-ED081152.txt
new file mode 100644
index 0000000000..75bf09d0be
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED081152.txt
@@ -0,0 +1,47 @@
+ACCESSION: MSBNK-EAWAG-ED081152
+RECORD_TITLE: Schizopeptin 791; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1093/femsec/fiaa243
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 811
+CH$NAME: Schizopeptin 791
+CH$NAME: (((3S,6S,9S,12S,15R)-3-benzyl-12-((S)-sec-butyl)-6,7-dimethyl-2,5,8,11,14-pentaoxo-9-phenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)carbamoyl)-L-isoleucine
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C42H61N7O8
+CH$EXACT_MASS: 791.4581619
+CH$SMILES: C[C@H]([C@H]1C(N[C@@H](CCC2=CC=CC=C2)C(N(C)[C@@H](C)C(N[C@@H](CC3=CC=CC=C3)C(NCCCC[C@@H](NC(N[C@H](C(O)=O)[C@H](CC)C)=O)C(N1)=O)=O)=O)=O)=O)CC
+CH$IUPAC: InChI=1S/C42H61N7O8/c1-7-26(3)34-39(53)44-32(23-22-29-17-11-9-12-18-29)40(54)49(6)28(5)36(50)45-33(25-30-19-13-10-14-20-30)37(51)43-24-16-15-21-31(38(52)47-34)46-42(57)48-35(41(55)56)27(4)8-2/h9-14,17-20,26-28,31-35H,7-8,15-16,21-25H2,1-6H3,(H,43,51)(H,44,53)(H,45,50)(H,47,52)(H,55,56)(H2,46,48,57)/t26-,27-,28-,31+,32-,33-,34-,35-/m0/s1
+CH$LINK: PUBCHEM CID:10985632
+CH$LINK: INCHIKEY UHGIIADZWWCEKS-NDSQDYTJSA-N
+CH$LINK: CHEMSPIDER 8570954
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 82-827
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.405 min
+MS$FOCUSED_ION: BASE_PEAK 307.1909
+MS$FOCUSED_ION: PRECURSOR_M/Z 790.4509
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0a4i-0000009200-b9384dfa47ffd2bdd77c
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  659.3562 C36H47N6O6- 4 659.3563 -0.1
+  772.4401 C42H58N7O7- 1 772.4403 -0.35
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  659.3562 2415529.5 999
+  772.4401 699434.6 289
+//
diff --git a/Eawag/MSBNK-EAWAG-ED081153.txt b/Eawag/MSBNK-EAWAG-ED081153.txt
new file mode 100644
index 0000000000..b6fb26654b
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED081153.txt
@@ -0,0 +1,49 @@
+ACCESSION: MSBNK-EAWAG-ED081153
+RECORD_TITLE: Schizopeptin 791; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1093/femsec/fiaa243
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 811
+CH$NAME: Schizopeptin 791
+CH$NAME: (((3S,6S,9S,12S,15R)-3-benzyl-12-((S)-sec-butyl)-6,7-dimethyl-2,5,8,11,14-pentaoxo-9-phenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)carbamoyl)-L-isoleucine
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C42H61N7O8
+CH$EXACT_MASS: 791.4581619
+CH$SMILES: C[C@H]([C@H]1C(N[C@@H](CCC2=CC=CC=C2)C(N(C)[C@@H](C)C(N[C@@H](CC3=CC=CC=C3)C(NCCCC[C@@H](NC(N[C@H](C(O)=O)[C@H](CC)C)=O)C(N1)=O)=O)=O)=O)=O)CC
+CH$IUPAC: InChI=1S/C42H61N7O8/c1-7-26(3)34-39(53)44-32(23-22-29-17-11-9-12-18-29)40(54)49(6)28(5)36(50)45-33(25-30-19-13-10-14-20-30)37(51)43-24-16-15-21-31(38(52)47-34)46-42(57)48-35(41(55)56)27(4)8-2/h9-14,17-20,26-28,31-35H,7-8,15-16,21-25H2,1-6H3,(H,43,51)(H,44,53)(H,45,50)(H,47,52)(H,55,56)(H2,46,48,57)/t26-,27-,28-,31+,32-,33-,34-,35-/m0/s1
+CH$LINK: PUBCHEM CID:10985632
+CH$LINK: INCHIKEY UHGIIADZWWCEKS-NDSQDYTJSA-N
+CH$LINK: CHEMSPIDER 8570954
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 82-827
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.405 min
+MS$FOCUSED_ION: BASE_PEAK 307.1909
+MS$FOCUSED_ION: PRECURSOR_M/Z 790.4509
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0a4i-0000009200-a2a56cb64cfad6940282
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  402.2145 C20H28N5O4- 3 402.2147 -0.49
+  659.3562 C36H47N6O6- 4 659.3563 -0.1
+  772.4404 C42H58N7O7- 1 772.4403 0.05
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  402.2145 102373.5 42
+  659.3562 2432341.8 999
+  772.4404 592034.7 243
+//
diff --git a/Eawag/MSBNK-EAWAG-ED081154.txt b/Eawag/MSBNK-EAWAG-ED081154.txt
new file mode 100644
index 0000000000..76de7afd55
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED081154.txt
@@ -0,0 +1,53 @@
+ACCESSION: MSBNK-EAWAG-ED081154
+RECORD_TITLE: Schizopeptin 791; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1093/femsec/fiaa243
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 811
+CH$NAME: Schizopeptin 791
+CH$NAME: (((3S,6S,9S,12S,15R)-3-benzyl-12-((S)-sec-butyl)-6,7-dimethyl-2,5,8,11,14-pentaoxo-9-phenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)carbamoyl)-L-isoleucine
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C42H61N7O8
+CH$EXACT_MASS: 791.4581619
+CH$SMILES: C[C@H]([C@H]1C(N[C@@H](CCC2=CC=CC=C2)C(N(C)[C@@H](C)C(N[C@@H](CC3=CC=CC=C3)C(NCCCC[C@@H](NC(N[C@H](C(O)=O)[C@H](CC)C)=O)C(N1)=O)=O)=O)=O)=O)CC
+CH$IUPAC: InChI=1S/C42H61N7O8/c1-7-26(3)34-39(53)44-32(23-22-29-17-11-9-12-18-29)40(54)49(6)28(5)36(50)45-33(25-30-19-13-10-14-20-30)37(51)43-24-16-15-21-31(38(52)47-34)46-42(57)48-35(41(55)56)27(4)8-2/h9-14,17-20,26-28,31-35H,7-8,15-16,21-25H2,1-6H3,(H,43,51)(H,44,53)(H,45,50)(H,47,52)(H,55,56)(H2,46,48,57)/t26-,27-,28-,31+,32-,33-,34-,35-/m0/s1
+CH$LINK: PUBCHEM CID:10985632
+CH$LINK: INCHIKEY UHGIIADZWWCEKS-NDSQDYTJSA-N
+CH$LINK: CHEMSPIDER 8570954
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 82-827
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.405 min
+MS$FOCUSED_ION: BASE_PEAK 307.1909
+MS$FOCUSED_ION: PRECURSOR_M/Z 790.4509
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0a4i-0000109200-bb5873dd69edbb9ad99a
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  130.0873 C6H12NO2- 1 130.0874 -0.2
+  331.2141 C18H27N4O2- 4 331.2139 0.6
+  402.2142 C20H28N5O4- 3 402.2147 -1.09
+  659.356 C36H47N6O6- 4 659.3563 -0.38
+  772.4394 C42H58N7O7- 1 772.4403 -1.14
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  130.0873 55398.9 36
+  331.2141 39794.3 26
+  402.2142 327138.6 214
+  659.356 1522742.2 999
+  772.4394 362024.7 237
+//
diff --git a/Eawag/MSBNK-EAWAG-ED081155.txt b/Eawag/MSBNK-EAWAG-ED081155.txt
new file mode 100644
index 0000000000..0a46bed151
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED081155.txt
@@ -0,0 +1,53 @@
+ACCESSION: MSBNK-EAWAG-ED081155
+RECORD_TITLE: Schizopeptin 791; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1093/femsec/fiaa243
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 811
+CH$NAME: Schizopeptin 791
+CH$NAME: (((3S,6S,9S,12S,15R)-3-benzyl-12-((S)-sec-butyl)-6,7-dimethyl-2,5,8,11,14-pentaoxo-9-phenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)carbamoyl)-L-isoleucine
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C42H61N7O8
+CH$EXACT_MASS: 791.4581619
+CH$SMILES: C[C@H]([C@H]1C(N[C@@H](CCC2=CC=CC=C2)C(N(C)[C@@H](C)C(N[C@@H](CC3=CC=CC=C3)C(NCCCC[C@@H](NC(N[C@H](C(O)=O)[C@H](CC)C)=O)C(N1)=O)=O)=O)=O)=O)CC
+CH$IUPAC: InChI=1S/C42H61N7O8/c1-7-26(3)34-39(53)44-32(23-22-29-17-11-9-12-18-29)40(54)49(6)28(5)36(50)45-33(25-30-19-13-10-14-20-30)37(51)43-24-16-15-21-31(38(52)47-34)46-42(57)48-35(41(55)56)27(4)8-2/h9-14,17-20,26-28,31-35H,7-8,15-16,21-25H2,1-6H3,(H,43,51)(H,44,53)(H,45,50)(H,47,52)(H,55,56)(H2,46,48,57)/t26-,27-,28-,31+,32-,33-,34-,35-/m0/s1
+CH$LINK: PUBCHEM CID:10985632
+CH$LINK: INCHIKEY UHGIIADZWWCEKS-NDSQDYTJSA-N
+CH$LINK: CHEMSPIDER 8570954
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 82-827
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.405 min
+MS$FOCUSED_ION: BASE_PEAK 307.1909
+MS$FOCUSED_ION: PRECURSOR_M/Z 790.4509
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-001i-0948000000-43efc80e47ab9ae36ca4
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  101.0723 C4H9N2O- 1 101.072 3.1
+  130.087 C6H12NO2- 1 130.0874 -2.78
+  141.0666 C6H9N2O2- 1 141.067 -2.66
+  229.134 C14H17N2O- 2 229.1346 -2.86
+  331.2132 C18H27N4O2- 3 331.2139 -2.17
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  101.0723 22438.6 155
+  130.087 84415.2 583
+  141.0666 39667.9 274
+  229.134 77869.8 538
+  331.2132 144535 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED081156.txt b/Eawag/MSBNK-EAWAG-ED081156.txt
new file mode 100644
index 0000000000..a400b375d8
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED081156.txt
@@ -0,0 +1,57 @@
+ACCESSION: MSBNK-EAWAG-ED081156
+RECORD_TITLE: Schizopeptin 791; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1093/femsec/fiaa243
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 811
+CH$NAME: Schizopeptin 791
+CH$NAME: (((3S,6S,9S,12S,15R)-3-benzyl-12-((S)-sec-butyl)-6,7-dimethyl-2,5,8,11,14-pentaoxo-9-phenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)carbamoyl)-L-isoleucine
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C42H61N7O8
+CH$EXACT_MASS: 791.4581619
+CH$SMILES: C[C@H]([C@H]1C(N[C@@H](CCC2=CC=CC=C2)C(N(C)[C@@H](C)C(N[C@@H](CC3=CC=CC=C3)C(NCCCC[C@@H](NC(N[C@H](C(O)=O)[C@H](CC)C)=O)C(N1)=O)=O)=O)=O)=O)CC
+CH$IUPAC: InChI=1S/C42H61N7O8/c1-7-26(3)34-39(53)44-32(23-22-29-17-11-9-12-18-29)40(54)49(6)28(5)36(50)45-33(25-30-19-13-10-14-20-30)37(51)43-24-16-15-21-31(38(52)47-34)46-42(57)48-35(41(55)56)27(4)8-2/h9-14,17-20,26-28,31-35H,7-8,15-16,21-25H2,1-6H3,(H,43,51)(H,44,53)(H,45,50)(H,47,52)(H,55,56)(H2,46,48,57)/t26-,27-,28-,31+,32-,33-,34-,35-/m0/s1
+CH$LINK: PUBCHEM CID:10985632
+CH$LINK: INCHIKEY UHGIIADZWWCEKS-NDSQDYTJSA-N
+CH$LINK: CHEMSPIDER 8570954
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 82-827
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.405 min
+MS$FOCUSED_ION: BASE_PEAK 307.1909
+MS$FOCUSED_ION: PRECURSOR_M/Z 790.4509
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-005c-1940000000-c12732e206d08cfde7cd
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  91.0553 C7H7- 1 91.0553 -0.31
+  101.0719 C4H9N2O- 1 101.072 -1.58
+  130.087 C6H12NO2- 1 130.0874 -3.02
+  141.0668 C6H9N2O2- 1 141.067 -1.26
+  146.061 C9H8NO- 1 146.0611 -1.13
+  189.0663 C10H9N2O2- 2 189.067 -3.7
+  229.1339 C12H15N5- 2 229.1333 2.54
+PK$NUM_PEAK: 7
+PK$PEAK: m/z int. rel.int.
+  91.0553 45577.1 343
+  101.0719 57432.5 432
+  130.087 99856 751
+  141.0668 62111.8 467
+  146.061 44131.4 332
+  189.0663 23219.6 174
+  229.1339 132721.5 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED081301.txt b/Eawag/MSBNK-EAWAG-ED081301.txt
new file mode 100644
index 0000000000..6691d3b6af
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED081301.txt
@@ -0,0 +1,52 @@
+ACCESSION: MSBNK-EAWAG-ED081301
+RECORD_TITLE: Nodulapeptin 855a (and isomers); LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md18090442
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 813
+CH$NAME: Nodulapeptin 855a (and isomers)
+CH$NAME: 2-(3-(3-(hydroxymethyl)-6-(4-hydroxyphenethyl)-7-methyl-12-(2-(methylthio)ethyl)-2,5,8,11,14-pentaoxo-9-phenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)-3-methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C42H61N7O10S
+CH$EXACT_MASS: 855.4200622
+CH$SMILES: O=C(N(C(CCC1=CC=C(O)C=C1)C(NC(CO)C2=O)=O)C)C(NC(C(CCSC)NC(C(CCCCN2)NC(NC(C(CC)C)C(O)=O)=O)=O)=O)CCC3=CC=CC=C3
+CH$IUPAC: InChI=1S/C42H61N7O10S/c1-5-26(2)35(41(57)58)48-42(59)47-30-13-9-10-23-43-36(52)33(25-50)46-39(55)34(21-17-28-14-18-29(51)19-15-28)49(3)40(56)32(20-16-27-11-7-6-8-12-27)45-38(54)31(22-24-60-4)44-37(30)53/h6-8,11-12,14-15,18-19,26,30-35,50-51H,5,9-10,13,16-17,20-25H2,1-4H3,(H,43,52)(H,44,53)(H,45,54)(H,46,55)(H,57,58)(H2,47,48,59)
+CH$LINK: PUBCHEM CID:146684831
+CH$LINK: INCHIKEY CWANKXLXOYMBBJ-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 89-895
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.302 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 856.4273
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0a4i-0000000090-cd70c5f646b11f57f48a
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  699.3541 C40H51N4O5S+ 9 699.3575 -4.79
+  725.3326 C38H51N3O9S+ 7 725.3341 -2.03
+  828.4328 C41H62N7O9S+ 1 828.4324 0.43
+  838.4169 C42H60N7O9S+ 1 838.4168 0.17
+  856.4269 C42H62N7O10S+ 1 856.4273 -0.54
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  699.3541 122784.5 41
+  725.3326 100458.2 33
+  828.4328 70779.7 23
+  838.4169 159688.1 53
+  856.4269 2971461.2 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED081302.txt b/Eawag/MSBNK-EAWAG-ED081302.txt
new file mode 100644
index 0000000000..977d8f35ff
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED081302.txt
@@ -0,0 +1,54 @@
+ACCESSION: MSBNK-EAWAG-ED081302
+RECORD_TITLE: Nodulapeptin 855a (and isomers); LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md18090442
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 813
+CH$NAME: Nodulapeptin 855a (and isomers)
+CH$NAME: 2-(3-(3-(hydroxymethyl)-6-(4-hydroxyphenethyl)-7-methyl-12-(2-(methylthio)ethyl)-2,5,8,11,14-pentaoxo-9-phenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)-3-methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C42H61N7O10S
+CH$EXACT_MASS: 855.4200622
+CH$SMILES: O=C(N(C(CCC1=CC=C(O)C=C1)C(NC(CO)C2=O)=O)C)C(NC(C(CCSC)NC(C(CCCCN2)NC(NC(C(CC)C)C(O)=O)=O)=O)=O)CCC3=CC=CC=C3
+CH$IUPAC: InChI=1S/C42H61N7O10S/c1-5-26(2)35(41(57)58)48-42(59)47-30-13-9-10-23-43-36(52)33(25-50)46-39(55)34(21-17-28-14-18-29(51)19-15-28)49(3)40(56)32(20-16-27-11-7-6-8-12-27)45-38(54)31(22-24-60-4)44-37(30)53/h6-8,11-12,14-15,18-19,26,30-35,50-51H,5,9-10,13,16-17,20-25H2,1-4H3,(H,43,52)(H,44,53)(H,45,54)(H,46,55)(H,57,58)(H2,47,48,59)
+CH$LINK: PUBCHEM CID:146684831
+CH$LINK: INCHIKEY CWANKXLXOYMBBJ-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 89-895
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.302 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 856.4273
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0a4i-0000001190-6e28a29e74777ea40b1c
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  699.3542 C40H51N4O5S+ 9 699.3575 -4.7
+  725.3326 C38H51N3O9S+ 7 725.3341 -1.94
+  743.3416 C38H53N3O10S+ 5 743.3446 -4.03
+  828.433 C41H62N7O9S+ 1 828.4324 0.73
+  838.4173 C42H60N7O9S+ 1 838.4168 0.68
+  856.4269 C42H62N7O10S+ 1 856.4273 -0.47
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  699.3542 280883.2 242
+  725.3326 238225.7 206
+  743.3416 71500.7 61
+  828.433 193129.3 167
+  838.4173 156858.6 135
+  856.4269 1155050.8 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED081303.txt b/Eawag/MSBNK-EAWAG-ED081303.txt
new file mode 100644
index 0000000000..5a01946abe
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED081303.txt
@@ -0,0 +1,58 @@
+ACCESSION: MSBNK-EAWAG-ED081303
+RECORD_TITLE: Nodulapeptin 855a (and isomers); LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md18090442
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 813
+CH$NAME: Nodulapeptin 855a (and isomers)
+CH$NAME: 2-(3-(3-(hydroxymethyl)-6-(4-hydroxyphenethyl)-7-methyl-12-(2-(methylthio)ethyl)-2,5,8,11,14-pentaoxo-9-phenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)-3-methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C42H61N7O10S
+CH$EXACT_MASS: 855.4200622
+CH$SMILES: O=C(N(C(CCC1=CC=C(O)C=C1)C(NC(CO)C2=O)=O)C)C(NC(C(CCSC)NC(C(CCCCN2)NC(NC(C(CC)C)C(O)=O)=O)=O)=O)CCC3=CC=CC=C3
+CH$IUPAC: InChI=1S/C42H61N7O10S/c1-5-26(2)35(41(57)58)48-42(59)47-30-13-9-10-23-43-36(52)33(25-50)46-39(55)34(21-17-28-14-18-29(51)19-15-28)49(3)40(56)32(20-16-27-11-7-6-8-12-27)45-38(54)31(22-24-60-4)44-37(30)53/h6-8,11-12,14-15,18-19,26,30-35,50-51H,5,9-10,13,16-17,20-25H2,1-4H3,(H,43,52)(H,44,53)(H,45,54)(H,46,55)(H,57,58)(H2,47,48,59)
+CH$LINK: PUBCHEM CID:146684831
+CH$LINK: INCHIKEY CWANKXLXOYMBBJ-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 89-895
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.302 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 856.4273
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-004j-0740306490-327d78c692ffeca13687
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  164.1069 C10H14NO+ 3 164.107 -0.38
+  171.1128 C8H15N2O2+ 3 171.1128 0.13
+  279.1344 H21N7O10+ 5 279.1344 -0.16
+  451.2195 C15H37N3O10S+ 9 451.2194 0.08
+  699.3542 C40H51N4O5S+ 9 699.3575 -4.62
+  725.3333 C38H51N3O9S+ 7 725.3341 -1.1
+  828.4308 C41H62N7O9S+ 1 828.4324 -1.92
+  856.4286 C42H62N7O10S+ 1 856.4273 1.46
+PK$NUM_PEAK: 8
+PK$PEAK: m/z int. rel.int.
+  164.1069 142745 822
+  171.1128 46477.5 267
+  279.1344 106731.6 615
+  451.2195 92778.7 534
+  699.3542 173357 999
+  725.3333 124830.8 719
+  828.4308 87344.1 503
+  856.4286 140044 807
+//
diff --git a/Eawag/MSBNK-EAWAG-ED081304.txt b/Eawag/MSBNK-EAWAG-ED081304.txt
new file mode 100644
index 0000000000..2f9f196d33
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED081304.txt
@@ -0,0 +1,50 @@
+ACCESSION: MSBNK-EAWAG-ED081304
+RECORD_TITLE: Nodulapeptin 855a (and isomers); LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md18090442
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 813
+CH$NAME: Nodulapeptin 855a (and isomers)
+CH$NAME: 2-(3-(3-(hydroxymethyl)-6-(4-hydroxyphenethyl)-7-methyl-12-(2-(methylthio)ethyl)-2,5,8,11,14-pentaoxo-9-phenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)-3-methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C42H61N7O10S
+CH$EXACT_MASS: 855.4200622
+CH$SMILES: O=C(N(C(CCC1=CC=C(O)C=C1)C(NC(CO)C2=O)=O)C)C(NC(C(CCSC)NC(C(CCCCN2)NC(NC(C(CC)C)C(O)=O)=O)=O)=O)CCC3=CC=CC=C3
+CH$IUPAC: InChI=1S/C42H61N7O10S/c1-5-26(2)35(41(57)58)48-42(59)47-30-13-9-10-23-43-36(52)33(25-50)46-39(55)34(21-17-28-14-18-29(51)19-15-28)49(3)40(56)32(20-16-27-11-7-6-8-12-27)45-38(54)31(22-24-60-4)44-37(30)53/h6-8,11-12,14-15,18-19,26,30-35,50-51H,5,9-10,13,16-17,20-25H2,1-4H3,(H,43,52)(H,44,53)(H,45,54)(H,46,55)(H,57,58)(H2,47,48,59)
+CH$LINK: PUBCHEM CID:146684831
+CH$LINK: INCHIKEY CWANKXLXOYMBBJ-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 89-895
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.302 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 856.4273
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03di-0920300000-d052e1cf0384f5973c35
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  164.107 C10H14NO+ 3 164.107 0.08
+  171.1128 C8H15N2O2+ 3 171.1128 0.05
+  279.1337 H21N7O10+ 5 279.1344 -2.78
+  451.2193 C15H37N3O10S+ 9 451.2194 -0.32
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  164.107 380837.5 999
+  171.1128 80473.3 211
+  279.1337 143615.9 376
+  451.2193 158790.5 416
+//
diff --git a/Eawag/MSBNK-EAWAG-ED081305.txt b/Eawag/MSBNK-EAWAG-ED081305.txt
new file mode 100644
index 0000000000..915b46b8ec
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED081305.txt
@@ -0,0 +1,58 @@
+ACCESSION: MSBNK-EAWAG-ED081305
+RECORD_TITLE: Nodulapeptin 855a (and isomers); LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md18090442
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 813
+CH$NAME: Nodulapeptin 855a (and isomers)
+CH$NAME: 2-(3-(3-(hydroxymethyl)-6-(4-hydroxyphenethyl)-7-methyl-12-(2-(methylthio)ethyl)-2,5,8,11,14-pentaoxo-9-phenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)-3-methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C42H61N7O10S
+CH$EXACT_MASS: 855.4200622
+CH$SMILES: O=C(N(C(CCC1=CC=C(O)C=C1)C(NC(CO)C2=O)=O)C)C(NC(C(CCSC)NC(C(CCCCN2)NC(NC(C(CC)C)C(O)=O)=O)=O)=O)CCC3=CC=CC=C3
+CH$IUPAC: InChI=1S/C42H61N7O10S/c1-5-26(2)35(41(57)58)48-42(59)47-30-13-9-10-23-43-36(52)33(25-50)46-39(55)34(21-17-28-14-18-29(51)19-15-28)49(3)40(56)32(20-16-27-11-7-6-8-12-27)45-38(54)31(22-24-60-4)44-37(30)53/h6-8,11-12,14-15,18-19,26,30-35,50-51H,5,9-10,13,16-17,20-25H2,1-4H3,(H,43,52)(H,44,53)(H,45,54)(H,46,55)(H,57,58)(H2,47,48,59)
+CH$LINK: PUBCHEM CID:146684831
+CH$LINK: INCHIKEY CWANKXLXOYMBBJ-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 89-895
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.302 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 856.4273
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03di-0900000000-36c1f1b91fc61000740b
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  107.0492 C7H7O+ 1 107.0491 0.38
+  133.0647 C9H9O+ 2 133.0648 -1.03
+  134.0964 CH16N3O2S+ 2 134.0958 4.89
+  164.1069 C10H14NO+ 3 164.107 -0.29
+  171.1128 C8H15N2O2+ 3 171.1128 -0.13
+  251.1396 C7H25NO6S+ 3 251.1397 -0.49
+  260.1239 C10H18N3O5+ 5 260.1241 -0.86
+  345.2148 C15H29N4O5+ 6 345.2132 4.42
+PK$NUM_PEAK: 8
+PK$PEAK: m/z int. rel.int.
+  107.0492 249760.5 449
+  133.0647 29511.9 53
+  134.0964 29515.4 53
+  164.1069 554837.4 999
+  171.1128 115233.8 207
+  251.1396 33714.1 60
+  260.1239 56012.9 100
+  345.2148 32387.8 58
+//
diff --git a/Eawag/MSBNK-EAWAG-ED081306.txt b/Eawag/MSBNK-EAWAG-ED081306.txt
new file mode 100644
index 0000000000..d36edce981
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED081306.txt
@@ -0,0 +1,52 @@
+ACCESSION: MSBNK-EAWAG-ED081306
+RECORD_TITLE: Nodulapeptin 855a (and isomers); LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md18090442
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 813
+CH$NAME: Nodulapeptin 855a (and isomers)
+CH$NAME: 2-(3-(3-(hydroxymethyl)-6-(4-hydroxyphenethyl)-7-methyl-12-(2-(methylthio)ethyl)-2,5,8,11,14-pentaoxo-9-phenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)-3-methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C42H61N7O10S
+CH$EXACT_MASS: 855.4200622
+CH$SMILES: O=C(N(C(CCC1=CC=C(O)C=C1)C(NC(CO)C2=O)=O)C)C(NC(C(CCSC)NC(C(CCCCN2)NC(NC(C(CC)C)C(O)=O)=O)=O)=O)CCC3=CC=CC=C3
+CH$IUPAC: InChI=1S/C42H61N7O10S/c1-5-26(2)35(41(57)58)48-42(59)47-30-13-9-10-23-43-36(52)33(25-50)46-39(55)34(21-17-28-14-18-29(51)19-15-28)49(3)40(56)32(20-16-27-11-7-6-8-12-27)45-38(54)31(22-24-60-4)44-37(30)53/h6-8,11-12,14-15,18-19,26,30-35,50-51H,5,9-10,13,16-17,20-25H2,1-4H3,(H,43,52)(H,44,53)(H,45,54)(H,46,55)(H,57,58)(H2,47,48,59)
+CH$LINK: PUBCHEM CID:146684831
+CH$LINK: INCHIKEY CWANKXLXOYMBBJ-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 89-895
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.302 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 856.4273
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0bt9-0900000000-cf0d3d6f73241cd6a809
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  107.0491 C7H7O+ 1 107.0491 0.03
+  134.0963 CH16N3O2S+ 2 134.0958 4.21
+  153.1023 C8H13N2O+ 3 153.1022 0.14
+  164.1069 C10H14NO+ 3 164.107 -0.48
+  171.1128 C8H15N2O2+ 3 171.1128 0.22
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  107.0491 451011.3 999
+  134.0963 44200.6 97
+  153.1023 37504.5 83
+  164.1069 394413 873
+  171.1128 118138.7 261
+//
diff --git a/Eawag/MSBNK-EAWAG-ED081307.txt b/Eawag/MSBNK-EAWAG-ED081307.txt
new file mode 100644
index 0000000000..d38e2b57cb
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED081307.txt
@@ -0,0 +1,60 @@
+ACCESSION: MSBNK-EAWAG-ED081307
+RECORD_TITLE: Nodulapeptin 855a (and isomers); LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md18090442
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 813
+CH$NAME: Nodulapeptin 855a (and isomers)
+CH$NAME: 2-(3-(3-(hydroxymethyl)-6-(4-hydroxyphenethyl)-7-methyl-12-(2-(methylthio)ethyl)-2,5,8,11,14-pentaoxo-9-phenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)-3-methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C42H61N7O10S
+CH$EXACT_MASS: 855.4200622
+CH$SMILES: O=C(N(C(CCC1=CC=C(O)C=C1)C(NC(CO)C2=O)=O)C)C(NC(C(CCSC)NC(C(CCCCN2)NC(NC(C(CC)C)C(O)=O)=O)=O)=O)CCC3=CC=CC=C3
+CH$IUPAC: InChI=1S/C42H61N7O10S/c1-5-26(2)35(41(57)58)48-42(59)47-30-13-9-10-23-43-36(52)33(25-50)46-39(55)34(21-17-28-14-18-29(51)19-15-28)49(3)40(56)32(20-16-27-11-7-6-8-12-27)45-38(54)31(22-24-60-4)44-37(30)53/h6-8,11-12,14-15,18-19,26,30-35,50-51H,5,9-10,13,16-17,20-25H2,1-4H3,(H,43,52)(H,44,53)(H,45,54)(H,46,55)(H,57,58)(H2,47,48,59)
+CH$LINK: PUBCHEM CID:146684831
+CH$LINK: INCHIKEY CWANKXLXOYMBBJ-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 89-895
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.302 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 856.4273
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0a4i-0900000000-6273166202a3b71437fc
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  91.0542 C7H7+ 1 91.0542 -0.25
+  104.0531 C4H10NS+ 1 104.0528 2.59
+  107.0491 C7H7O+ 1 107.0491 -0.19
+  117.0699 C9H9+ 1 117.0699 0.5
+  129.1025 C6H13N2O+ 2 129.1022 2.06
+  153.1022 C8H13N2O+ 3 153.1022 -0.36
+  164.107 C10H14NO+ 3 164.107 -0.1
+  171.1129 C8H15N2O2+ 3 171.1128 0.67
+  210.1236 C10H16N3O2+ 3 210.1237 -0.57
+PK$NUM_PEAK: 9
+PK$PEAK: m/z int. rel.int.
+  91.0542 36031.9 59
+  104.0531 24597.3 40
+  107.0491 602295.2 999
+  117.0699 41195.5 68
+  129.1025 41466 68
+  153.1022 31098.6 51
+  164.107 160714.6 266
+  171.1129 54307.2 90
+  210.1236 20757.6 34
+//
diff --git a/Eawag/MSBNK-EAWAG-ED081308.txt b/Eawag/MSBNK-EAWAG-ED081308.txt
new file mode 100644
index 0000000000..6825c0da9c
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED081308.txt
@@ -0,0 +1,54 @@
+ACCESSION: MSBNK-EAWAG-ED081308
+RECORD_TITLE: Nodulapeptin 855a (and isomers); LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md18090442
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 813
+CH$NAME: Nodulapeptin 855a (and isomers)
+CH$NAME: 2-(3-(3-(hydroxymethyl)-6-(4-hydroxyphenethyl)-7-methyl-12-(2-(methylthio)ethyl)-2,5,8,11,14-pentaoxo-9-phenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)-3-methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C42H61N7O10S
+CH$EXACT_MASS: 855.4200622
+CH$SMILES: O=C(N(C(CCC1=CC=C(O)C=C1)C(NC(CO)C2=O)=O)C)C(NC(C(CCSC)NC(C(CCCCN2)NC(NC(C(CC)C)C(O)=O)=O)=O)=O)CCC3=CC=CC=C3
+CH$IUPAC: InChI=1S/C42H61N7O10S/c1-5-26(2)35(41(57)58)48-42(59)47-30-13-9-10-23-43-36(52)33(25-50)46-39(55)34(21-17-28-14-18-29(51)19-15-28)49(3)40(56)32(20-16-27-11-7-6-8-12-27)45-38(54)31(22-24-60-4)44-37(30)53/h6-8,11-12,14-15,18-19,26,30-35,50-51H,5,9-10,13,16-17,20-25H2,1-4H3,(H,43,52)(H,44,53)(H,45,54)(H,46,55)(H,57,58)(H2,47,48,59)
+CH$LINK: PUBCHEM CID:146684831
+CH$LINK: INCHIKEY CWANKXLXOYMBBJ-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 89-895
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.302 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 856.4273
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0a4i-0900000000-e3e85dca49a244b42376
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  91.0541 C7H7+ 1 91.0542 -0.92
+  107.0491 C7H7O+ 1 107.0491 0.03
+  117.0698 C9H9+ 2 117.0699 -1.07
+  129.1025 C6H13N2O+ 2 129.1022 1.7
+  164.107 C10H14NO+ 3 164.107 0.08
+  173.0919 C7H13N2O3+ 2 173.0921 -0.84
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  91.0541 73532.5 104
+  107.0491 705055.2 999
+  117.0698 41616.6 58
+  129.1025 30447 43
+  164.107 54922.6 77
+  173.0919 36235.5 51
+//
diff --git a/Eawag/MSBNK-EAWAG-ED081309.txt b/Eawag/MSBNK-EAWAG-ED081309.txt
new file mode 100644
index 0000000000..70bf5b7d14
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED081309.txt
@@ -0,0 +1,48 @@
+ACCESSION: MSBNK-EAWAG-ED081309
+RECORD_TITLE: Nodulapeptin 855a (and isomers); LC-ESI-QFT; MS2; CE: 80%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md18090442
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 813
+CH$NAME: Nodulapeptin 855a (and isomers)
+CH$NAME: 2-(3-(3-(hydroxymethyl)-6-(4-hydroxyphenethyl)-7-methyl-12-(2-(methylthio)ethyl)-2,5,8,11,14-pentaoxo-9-phenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)-3-methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C42H61N7O10S
+CH$EXACT_MASS: 855.4200622
+CH$SMILES: O=C(N(C(CCC1=CC=C(O)C=C1)C(NC(CO)C2=O)=O)C)C(NC(C(CCSC)NC(C(CCCCN2)NC(NC(C(CC)C)C(O)=O)=O)=O)=O)CCC3=CC=CC=C3
+CH$IUPAC: InChI=1S/C42H61N7O10S/c1-5-26(2)35(41(57)58)48-42(59)47-30-13-9-10-23-43-36(52)33(25-50)46-39(55)34(21-17-28-14-18-29(51)19-15-28)49(3)40(56)32(20-16-27-11-7-6-8-12-27)45-38(54)31(22-24-60-4)44-37(30)53/h6-8,11-12,14-15,18-19,26,30-35,50-51H,5,9-10,13,16-17,20-25H2,1-4H3,(H,43,52)(H,44,53)(H,45,54)(H,46,55)(H,57,58)(H2,47,48,59)
+CH$LINK: PUBCHEM CID:146684831
+CH$LINK: INCHIKEY CWANKXLXOYMBBJ-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 89-895
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.302 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 856.4273
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0a4i-1900000000-b908d6ee9d598f686361
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  91.0543 C7H7+ 1 91.0542 0.51
+  107.0491 C7H7O+ 1 107.0491 -0.33
+  117.07 C9H9+ 1 117.0699 1.21
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  91.0543 104507.1 146
+  107.0491 712056.6 999
+  117.07 36747.1 51
+//
diff --git a/Eawag/MSBNK-EAWAG-ED081351.txt b/Eawag/MSBNK-EAWAG-ED081351.txt
new file mode 100644
index 0000000000..f6cd4b5ecb
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED081351.txt
@@ -0,0 +1,50 @@
+ACCESSION: MSBNK-EAWAG-ED081351
+RECORD_TITLE: Nodulapeptin 855a (and isomers); LC-ESI-QFT; MS2; CE: 15%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md18090442
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 813
+CH$NAME: Nodulapeptin 855a (and isomers)
+CH$NAME: 2-(3-(3-(hydroxymethyl)-6-(4-hydroxyphenethyl)-7-methyl-12-(2-(methylthio)ethyl)-2,5,8,11,14-pentaoxo-9-phenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)-3-methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C42H61N7O10S
+CH$EXACT_MASS: 855.4200622
+CH$SMILES: O=C(N(C(CCC1=CC=C(O)C=C1)C(NC(CO)C2=O)=O)C)C(NC(C(CCSC)NC(C(CCCCN2)NC(NC(C(CC)C)C(O)=O)=O)=O)=O)CCC3=CC=CC=C3
+CH$IUPAC: InChI=1S/C42H61N7O10S/c1-5-26(2)35(41(57)58)48-42(59)47-30-13-9-10-23-43-36(52)33(25-50)46-39(55)34(21-17-28-14-18-29(51)19-15-28)49(3)40(56)32(20-16-27-11-7-6-8-12-27)45-38(54)31(22-24-60-4)44-37(30)53/h6-8,11-12,14-15,18-19,26,30-35,50-51H,5,9-10,13,16-17,20-25H2,1-4H3,(H,43,52)(H,44,53)(H,45,54)(H,46,55)(H,57,58)(H2,47,48,59)
+CH$LINK: PUBCHEM CID:146684831
+CH$LINK: INCHIKEY CWANKXLXOYMBBJ-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 89-893
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.316 min
+MS$FOCUSED_ION: BASE_PEAK 146.9383
+MS$FOCUSED_ION: PRECURSOR_M/Z 854.4128
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00di-0000000960-74e7c1a8ec15dd3cb7e7
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  723.3181 C36H47N6O8S- 7 723.3182 -0.02
+  724.3209 C42H48N2O7S- 4 724.3188 2.92
+  836.4022 C42H58N7O9S- 1 836.4022 0.01
+  854.4125 C42H60N7O10S- 1 854.4128 -0.35
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  723.3181 1586760.8 999
+  724.3209 80738.7 50
+  836.4022 673374 423
+  854.4125 623379.4 392
+//
diff --git a/Eawag/MSBNK-EAWAG-ED081352.txt b/Eawag/MSBNK-EAWAG-ED081352.txt
new file mode 100644
index 0000000000..d13a2544e4
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED081352.txt
@@ -0,0 +1,48 @@
+ACCESSION: MSBNK-EAWAG-ED081352
+RECORD_TITLE: Nodulapeptin 855a (and isomers); LC-ESI-QFT; MS2; CE: 20%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md18090442
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 813
+CH$NAME: Nodulapeptin 855a (and isomers)
+CH$NAME: 2-(3-(3-(hydroxymethyl)-6-(4-hydroxyphenethyl)-7-methyl-12-(2-(methylthio)ethyl)-2,5,8,11,14-pentaoxo-9-phenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)-3-methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C42H61N7O10S
+CH$EXACT_MASS: 855.4200622
+CH$SMILES: O=C(N(C(CCC1=CC=C(O)C=C1)C(NC(CO)C2=O)=O)C)C(NC(C(CCSC)NC(C(CCCCN2)NC(NC(C(CC)C)C(O)=O)=O)=O)=O)CCC3=CC=CC=C3
+CH$IUPAC: InChI=1S/C42H61N7O10S/c1-5-26(2)35(41(57)58)48-42(59)47-30-13-9-10-23-43-36(52)33(25-50)46-39(55)34(21-17-28-14-18-29(51)19-15-28)49(3)40(56)32(20-16-27-11-7-6-8-12-27)45-38(54)31(22-24-60-4)44-37(30)53/h6-8,11-12,14-15,18-19,26,30-35,50-51H,5,9-10,13,16-17,20-25H2,1-4H3,(H,43,52)(H,44,53)(H,45,54)(H,46,55)(H,57,58)(H2,47,48,59)
+CH$LINK: PUBCHEM CID:146684831
+CH$LINK: INCHIKEY CWANKXLXOYMBBJ-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 89-893
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.316 min
+MS$FOCUSED_ION: BASE_PEAK 146.9383
+MS$FOCUSED_ION: PRECURSOR_M/Z 854.4128
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00di-0000000920-8c85f1aafb13e4b3ee91
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  723.3177 C42H41N7O5- 7 723.3175 0.26
+  724.321 C42H48N2O7S- 4 724.3188 3.09
+  836.4016 C42H58N7O9S- 1 836.4022 -0.72
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  723.3177 1822559 999
+  724.321 88551.2 48
+  836.4016 594452.5 325
+//
diff --git a/Eawag/MSBNK-EAWAG-ED081353.txt b/Eawag/MSBNK-EAWAG-ED081353.txt
new file mode 100644
index 0000000000..0f8dd305a0
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED081353.txt
@@ -0,0 +1,48 @@
+ACCESSION: MSBNK-EAWAG-ED081353
+RECORD_TITLE: Nodulapeptin 855a (and isomers); LC-ESI-QFT; MS2; CE: 25%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md18090442
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 813
+CH$NAME: Nodulapeptin 855a (and isomers)
+CH$NAME: 2-(3-(3-(hydroxymethyl)-6-(4-hydroxyphenethyl)-7-methyl-12-(2-(methylthio)ethyl)-2,5,8,11,14-pentaoxo-9-phenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)-3-methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C42H61N7O10S
+CH$EXACT_MASS: 855.4200622
+CH$SMILES: O=C(N(C(CCC1=CC=C(O)C=C1)C(NC(CO)C2=O)=O)C)C(NC(C(CCSC)NC(C(CCCCN2)NC(NC(C(CC)C)C(O)=O)=O)=O)=O)CCC3=CC=CC=C3
+CH$IUPAC: InChI=1S/C42H61N7O10S/c1-5-26(2)35(41(57)58)48-42(59)47-30-13-9-10-23-43-36(52)33(25-50)46-39(55)34(21-17-28-14-18-29(51)19-15-28)49(3)40(56)32(20-16-27-11-7-6-8-12-27)45-38(54)31(22-24-60-4)44-37(30)53/h6-8,11-12,14-15,18-19,26,30-35,50-51H,5,9-10,13,16-17,20-25H2,1-4H3,(H,43,52)(H,44,53)(H,45,54)(H,46,55)(H,57,58)(H2,47,48,59)
+CH$LINK: PUBCHEM CID:146684831
+CH$LINK: INCHIKEY CWANKXLXOYMBBJ-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 89-893
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.316 min
+MS$FOCUSED_ION: BASE_PEAK 146.9383
+MS$FOCUSED_ION: PRECURSOR_M/Z 854.4128
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00di-0000000930-1019ee0f4dab5d422112
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  723.3179 C36H47N6O8S- 7 723.3182 -0.36
+  806.3888 C41H56N7O8S- 1 806.3917 -3.56
+  836.4027 C42H58N7O9S- 1 836.4022 0.52
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  723.3179 1402218.2 999
+  806.3888 179829 128
+  836.4027 324361.6 231
+//
diff --git a/Eawag/MSBNK-EAWAG-ED081354.txt b/Eawag/MSBNK-EAWAG-ED081354.txt
new file mode 100644
index 0000000000..15da547fd0
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED081354.txt
@@ -0,0 +1,48 @@
+ACCESSION: MSBNK-EAWAG-ED081354
+RECORD_TITLE: Nodulapeptin 855a (and isomers); LC-ESI-QFT; MS2; CE: 30%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md18090442
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 813
+CH$NAME: Nodulapeptin 855a (and isomers)
+CH$NAME: 2-(3-(3-(hydroxymethyl)-6-(4-hydroxyphenethyl)-7-methyl-12-(2-(methylthio)ethyl)-2,5,8,11,14-pentaoxo-9-phenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)-3-methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C42H61N7O10S
+CH$EXACT_MASS: 855.4200622
+CH$SMILES: O=C(N(C(CCC1=CC=C(O)C=C1)C(NC(CO)C2=O)=O)C)C(NC(C(CCSC)NC(C(CCCCN2)NC(NC(C(CC)C)C(O)=O)=O)=O)=O)CCC3=CC=CC=C3
+CH$IUPAC: InChI=1S/C42H61N7O10S/c1-5-26(2)35(41(57)58)48-42(59)47-30-13-9-10-23-43-36(52)33(25-50)46-39(55)34(21-17-28-14-18-29(51)19-15-28)49(3)40(56)32(20-16-27-11-7-6-8-12-27)45-38(54)31(22-24-60-4)44-37(30)53/h6-8,11-12,14-15,18-19,26,30-35,50-51H,5,9-10,13,16-17,20-25H2,1-4H3,(H,43,52)(H,44,53)(H,45,54)(H,46,55)(H,57,58)(H2,47,48,59)
+CH$LINK: PUBCHEM CID:146684831
+CH$LINK: INCHIKEY CWANKXLXOYMBBJ-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 89-893
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.316 min
+MS$FOCUSED_ION: BASE_PEAK 146.9383
+MS$FOCUSED_ION: PRECURSOR_M/Z 854.4128
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-006x-0000009520-fb013238ca8edc7fda8a
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  693.3076 C35H45N6O7S- 9 693.3076 -0.04
+  723.3178 C42H41N7O5- 7 723.3175 0.43
+  806.3906 C41H56N7O8S- 1 806.3917 -1.29
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  693.3076 614640.2 999
+  723.3178 342771 557
+  806.3906 189419.8 307
+//
diff --git a/Eawag/MSBNK-EAWAG-ED081355.txt b/Eawag/MSBNK-EAWAG-ED081355.txt
new file mode 100644
index 0000000000..fca5522cb9
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED081355.txt
@@ -0,0 +1,46 @@
+ACCESSION: MSBNK-EAWAG-ED081355
+RECORD_TITLE: Nodulapeptin 855a (and isomers); LC-ESI-QFT; MS2; CE: 40%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md18090442
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 813
+CH$NAME: Nodulapeptin 855a (and isomers)
+CH$NAME: 2-(3-(3-(hydroxymethyl)-6-(4-hydroxyphenethyl)-7-methyl-12-(2-(methylthio)ethyl)-2,5,8,11,14-pentaoxo-9-phenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)-3-methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C42H61N7O10S
+CH$EXACT_MASS: 855.4200622
+CH$SMILES: O=C(N(C(CCC1=CC=C(O)C=C1)C(NC(CO)C2=O)=O)C)C(NC(C(CCSC)NC(C(CCCCN2)NC(NC(C(CC)C)C(O)=O)=O)=O)=O)CCC3=CC=CC=C3
+CH$IUPAC: InChI=1S/C42H61N7O10S/c1-5-26(2)35(41(57)58)48-42(59)47-30-13-9-10-23-43-36(52)33(25-50)46-39(55)34(21-17-28-14-18-29(51)19-15-28)49(3)40(56)32(20-16-27-11-7-6-8-12-27)45-38(54)31(22-24-60-4)44-37(30)53/h6-8,11-12,14-15,18-19,26,30-35,50-51H,5,9-10,13,16-17,20-25H2,1-4H3,(H,43,52)(H,44,53)(H,45,54)(H,46,55)(H,57,58)(H2,47,48,59)
+CH$LINK: PUBCHEM CID:146684831
+CH$LINK: INCHIKEY CWANKXLXOYMBBJ-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 89-893
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.316 min
+MS$FOCUSED_ION: BASE_PEAK 146.9383
+MS$FOCUSED_ION: PRECURSOR_M/Z 854.4128
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0002-0009300000-0a9e2c830288e479bfa2
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  347.2081 C10H31N6O5S- 6 347.2082 -0.39
+  418.2082 C19H32NO9- 8 418.2083 -0.15
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  347.2081 325567 999
+  418.2082 137935.5 423
+//
diff --git a/Eawag/MSBNK-EAWAG-ED081356.txt b/Eawag/MSBNK-EAWAG-ED081356.txt
new file mode 100644
index 0000000000..6949d492d9
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED081356.txt
@@ -0,0 +1,50 @@
+ACCESSION: MSBNK-EAWAG-ED081356
+RECORD_TITLE: Nodulapeptin 855a (and isomers); LC-ESI-QFT; MS2; CE: 50%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md18090442
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 813
+CH$NAME: Nodulapeptin 855a (and isomers)
+CH$NAME: 2-(3-(3-(hydroxymethyl)-6-(4-hydroxyphenethyl)-7-methyl-12-(2-(methylthio)ethyl)-2,5,8,11,14-pentaoxo-9-phenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)-3-methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C42H61N7O10S
+CH$EXACT_MASS: 855.4200622
+CH$SMILES: O=C(N(C(CCC1=CC=C(O)C=C1)C(NC(CO)C2=O)=O)C)C(NC(C(CCSC)NC(C(CCCCN2)NC(NC(C(CC)C)C(O)=O)=O)=O)=O)CCC3=CC=CC=C3
+CH$IUPAC: InChI=1S/C42H61N7O10S/c1-5-26(2)35(41(57)58)48-42(59)47-30-13-9-10-23-43-36(52)33(25-50)46-39(55)34(21-17-28-14-18-29(51)19-15-28)49(3)40(56)32(20-16-27-11-7-6-8-12-27)45-38(54)31(22-24-60-4)44-37(30)53/h6-8,11-12,14-15,18-19,26,30-35,50-51H,5,9-10,13,16-17,20-25H2,1-4H3,(H,43,52)(H,44,53)(H,45,54)(H,46,55)(H,57,58)(H2,47,48,59)
+CH$LINK: PUBCHEM CID:146684831
+CH$LINK: INCHIKEY CWANKXLXOYMBBJ-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 89-893
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.316 min
+MS$FOCUSED_ION: BASE_PEAK 146.9383
+MS$FOCUSED_ION: PRECURSOR_M/Z 854.4128
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0002-2019000000-9af784fe02e2c05e5553
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  99.0198 C3H3N2O2- 1 99.02 -1.65
+  113.0358 C4H5N2O2- 1 113.0357 1.37
+  247.1082 C5H19N4O5S- 3 247.1082 -0.01
+  347.2083 C10H31N6O5S- 6 347.2082 0.14
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  99.0198 58749.7 239
+  113.0358 27204.7 110
+  247.1082 50895.5 207
+  347.2083 244873.8 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED081401.txt b/Eawag/MSBNK-EAWAG-ED081401.txt
new file mode 100644
index 0000000000..90b4965c70
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED081401.txt
@@ -0,0 +1,52 @@
+ACCESSION: MSBNK-EAWAG-ED081401
+RECORD_TITLE: Nodulapeptin 855b (and isomers); LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md18090442
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 814
+CH$NAME: Nodulapeptin 855b (and isomers)
+CH$NAME: 2-(3-(3-(hydroxymethyl)-7-methyl-12-(2-(methylsulfinyl)ethyl)-2,5,8,11,14-pentaoxo-6,9-diphenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)-3-methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C42H61N7O10S
+CH$EXACT_MASS: 855.4200622
+CH$SMILES: O=C(N(C(CCC1=CC=CC=C1)C(NC(CO)C2=O)=O)C)C(NC(C(CCS(C)=O)NC(C(CCCCN2)NC(NC(C(CC)C)C(O)=O)=O)=O)=O)CCC3=CC=CC=C3
+CH$IUPAC: InChI=1S/C42H61N7O10S/c1-5-27(2)35(41(56)57)48-42(58)47-30-18-12-13-24-43-36(51)33(26-50)46-39(54)34(22-20-29-16-10-7-11-17-29)49(3)40(55)32(21-19-28-14-8-6-9-15-28)45-38(53)31(44-37(30)52)23-25-60(4)59/h6-11,14-17,27,30-35,50H,5,12-13,18-26H2,1-4H3,(H,43,51)(H,44,52)(H,45,53)(H,46,54)(H,56,57)(H2,47,48,58)
+CH$LINK: PUBCHEM CID:146684748
+CH$LINK: INCHIKEY WTOJHHZFHCUTDI-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 89-895
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.302 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 856.4273
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0a4i-0000000090-cd70c5f646b11f57f48a
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  699.3541 C40H51N4O5S+ 9 699.3575 -4.79
+  725.3326 C38H51N3O9S+ 7 725.3341 -2.03
+  828.4328 C41H62N7O9S+ 1 828.4324 0.43
+  838.4169 C42H60N7O9S+ 1 838.4168 0.17
+  856.4269 C42H62N7O10S+ 1 856.4273 -0.54
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  699.3541 122784.5 41
+  725.3326 100458.2 33
+  828.4328 70779.7 23
+  838.4169 159688.1 53
+  856.4269 2971461.2 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED081402.txt b/Eawag/MSBNK-EAWAG-ED081402.txt
new file mode 100644
index 0000000000..6481bba6d8
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED081402.txt
@@ -0,0 +1,54 @@
+ACCESSION: MSBNK-EAWAG-ED081402
+RECORD_TITLE: Nodulapeptin 855b (and isomers); LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md18090442
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 814
+CH$NAME: Nodulapeptin 855b (and isomers)
+CH$NAME: 2-(3-(3-(hydroxymethyl)-7-methyl-12-(2-(methylsulfinyl)ethyl)-2,5,8,11,14-pentaoxo-6,9-diphenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)-3-methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C42H61N7O10S
+CH$EXACT_MASS: 855.4200622
+CH$SMILES: O=C(N(C(CCC1=CC=CC=C1)C(NC(CO)C2=O)=O)C)C(NC(C(CCS(C)=O)NC(C(CCCCN2)NC(NC(C(CC)C)C(O)=O)=O)=O)=O)CCC3=CC=CC=C3
+CH$IUPAC: InChI=1S/C42H61N7O10S/c1-5-27(2)35(41(56)57)48-42(58)47-30-18-12-13-24-43-36(51)33(26-50)46-39(54)34(22-20-29-16-10-7-11-17-29)49(3)40(55)32(21-19-28-14-8-6-9-15-28)45-38(53)31(44-37(30)52)23-25-60(4)59/h6-11,14-17,27,30-35,50H,5,12-13,18-26H2,1-4H3,(H,43,51)(H,44,52)(H,45,53)(H,46,54)(H,56,57)(H2,47,48,58)
+CH$LINK: PUBCHEM CID:146684748
+CH$LINK: INCHIKEY WTOJHHZFHCUTDI-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 89-895
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.302 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 856.4273
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0a4i-0000001190-6e28a29e74777ea40b1c
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  699.3542 C40H51N4O5S+ 9 699.3575 -4.7
+  725.3326 C38H51N3O9S+ 7 725.3341 -1.94
+  743.3416 C38H53N3O10S+ 5 743.3446 -4.03
+  828.433 C41H62N7O9S+ 1 828.4324 0.73
+  838.4173 C42H60N7O9S+ 1 838.4168 0.68
+  856.4269 C42H62N7O10S+ 1 856.4273 -0.47
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  699.3542 280883.2 242
+  725.3326 238225.7 206
+  743.3416 71500.7 61
+  828.433 193129.3 167
+  838.4173 156858.6 135
+  856.4269 1155050.8 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED081403.txt b/Eawag/MSBNK-EAWAG-ED081403.txt
new file mode 100644
index 0000000000..e037c62531
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED081403.txt
@@ -0,0 +1,58 @@
+ACCESSION: MSBNK-EAWAG-ED081403
+RECORD_TITLE: Nodulapeptin 855b (and isomers); LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md18090442
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 814
+CH$NAME: Nodulapeptin 855b (and isomers)
+CH$NAME: 2-(3-(3-(hydroxymethyl)-7-methyl-12-(2-(methylsulfinyl)ethyl)-2,5,8,11,14-pentaoxo-6,9-diphenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)-3-methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C42H61N7O10S
+CH$EXACT_MASS: 855.4200622
+CH$SMILES: O=C(N(C(CCC1=CC=CC=C1)C(NC(CO)C2=O)=O)C)C(NC(C(CCS(C)=O)NC(C(CCCCN2)NC(NC(C(CC)C)C(O)=O)=O)=O)=O)CCC3=CC=CC=C3
+CH$IUPAC: InChI=1S/C42H61N7O10S/c1-5-27(2)35(41(56)57)48-42(58)47-30-18-12-13-24-43-36(51)33(26-50)46-39(54)34(22-20-29-16-10-7-11-17-29)49(3)40(55)32(21-19-28-14-8-6-9-15-28)45-38(53)31(44-37(30)52)23-25-60(4)59/h6-11,14-17,27,30-35,50H,5,12-13,18-26H2,1-4H3,(H,43,51)(H,44,52)(H,45,53)(H,46,54)(H,56,57)(H2,47,48,58)
+CH$LINK: PUBCHEM CID:146684748
+CH$LINK: INCHIKEY WTOJHHZFHCUTDI-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 89-895
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.302 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 856.4273
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-004j-0740306490-327d78c692ffeca13687
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  164.1069 C10H14NO+ 3 164.107 -0.38
+  171.1128 C8H15N2O2+ 3 171.1128 0.13
+  279.1344 H21N7O10+ 5 279.1344 -0.16
+  451.2195 C15H37N3O10S+ 9 451.2194 0.08
+  699.3542 C40H51N4O5S+ 9 699.3575 -4.62
+  725.3333 C38H51N3O9S+ 7 725.3341 -1.1
+  828.4308 C41H62N7O9S+ 1 828.4324 -1.92
+  856.4286 C42H62N7O10S+ 1 856.4273 1.46
+PK$NUM_PEAK: 8
+PK$PEAK: m/z int. rel.int.
+  164.1069 142745 822
+  171.1128 46477.5 267
+  279.1344 106731.6 615
+  451.2195 92778.7 534
+  699.3542 173357 999
+  725.3333 124830.8 719
+  828.4308 87344.1 503
+  856.4286 140044 807
+//
diff --git a/Eawag/MSBNK-EAWAG-ED081404.txt b/Eawag/MSBNK-EAWAG-ED081404.txt
new file mode 100644
index 0000000000..296c62bbc3
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED081404.txt
@@ -0,0 +1,50 @@
+ACCESSION: MSBNK-EAWAG-ED081404
+RECORD_TITLE: Nodulapeptin 855b (and isomers); LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md18090442
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 814
+CH$NAME: Nodulapeptin 855b (and isomers)
+CH$NAME: 2-(3-(3-(hydroxymethyl)-7-methyl-12-(2-(methylsulfinyl)ethyl)-2,5,8,11,14-pentaoxo-6,9-diphenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)-3-methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C42H61N7O10S
+CH$EXACT_MASS: 855.4200622
+CH$SMILES: O=C(N(C(CCC1=CC=CC=C1)C(NC(CO)C2=O)=O)C)C(NC(C(CCS(C)=O)NC(C(CCCCN2)NC(NC(C(CC)C)C(O)=O)=O)=O)=O)CCC3=CC=CC=C3
+CH$IUPAC: InChI=1S/C42H61N7O10S/c1-5-27(2)35(41(56)57)48-42(58)47-30-18-12-13-24-43-36(51)33(26-50)46-39(54)34(22-20-29-16-10-7-11-17-29)49(3)40(55)32(21-19-28-14-8-6-9-15-28)45-38(53)31(44-37(30)52)23-25-60(4)59/h6-11,14-17,27,30-35,50H,5,12-13,18-26H2,1-4H3,(H,43,51)(H,44,52)(H,45,53)(H,46,54)(H,56,57)(H2,47,48,58)
+CH$LINK: PUBCHEM CID:146684748
+CH$LINK: INCHIKEY WTOJHHZFHCUTDI-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 89-895
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.302 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 856.4273
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03di-0920300000-d052e1cf0384f5973c35
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  164.107 C10H14NO+ 3 164.107 0.08
+  171.1128 C8H15N2O2+ 3 171.1128 0.05
+  279.1337 H21N7O10+ 5 279.1344 -2.78
+  451.2193 C15H37N3O10S+ 9 451.2194 -0.32
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  164.107 380837.5 999
+  171.1128 80473.3 211
+  279.1337 143615.9 376
+  451.2193 158790.5 416
+//
diff --git a/Eawag/MSBNK-EAWAG-ED081405.txt b/Eawag/MSBNK-EAWAG-ED081405.txt
new file mode 100644
index 0000000000..6927ed584d
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED081405.txt
@@ -0,0 +1,58 @@
+ACCESSION: MSBNK-EAWAG-ED081405
+RECORD_TITLE: Nodulapeptin 855b (and isomers); LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md18090442
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 814
+CH$NAME: Nodulapeptin 855b (and isomers)
+CH$NAME: 2-(3-(3-(hydroxymethyl)-7-methyl-12-(2-(methylsulfinyl)ethyl)-2,5,8,11,14-pentaoxo-6,9-diphenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)-3-methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C42H61N7O10S
+CH$EXACT_MASS: 855.4200622
+CH$SMILES: O=C(N(C(CCC1=CC=CC=C1)C(NC(CO)C2=O)=O)C)C(NC(C(CCS(C)=O)NC(C(CCCCN2)NC(NC(C(CC)C)C(O)=O)=O)=O)=O)CCC3=CC=CC=C3
+CH$IUPAC: InChI=1S/C42H61N7O10S/c1-5-27(2)35(41(56)57)48-42(58)47-30-18-12-13-24-43-36(51)33(26-50)46-39(54)34(22-20-29-16-10-7-11-17-29)49(3)40(55)32(21-19-28-14-8-6-9-15-28)45-38(53)31(44-37(30)52)23-25-60(4)59/h6-11,14-17,27,30-35,50H,5,12-13,18-26H2,1-4H3,(H,43,51)(H,44,52)(H,45,53)(H,46,54)(H,56,57)(H2,47,48,58)
+CH$LINK: PUBCHEM CID:146684748
+CH$LINK: INCHIKEY WTOJHHZFHCUTDI-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 89-895
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.302 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 856.4273
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03di-0900000000-36c1f1b91fc61000740b
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  107.0492 C7H7O+ 1 107.0491 0.38
+  133.0647 C9H9O+ 2 133.0648 -1.03
+  134.0964 CH16N3O2S+ 2 134.0958 4.89
+  164.1069 C10H14NO+ 3 164.107 -0.29
+  171.1128 C8H15N2O2+ 3 171.1128 -0.13
+  251.1396 C7H25NO6S+ 3 251.1397 -0.49
+  260.1239 C10H18N3O5+ 5 260.1241 -0.86
+  345.2148 C15H29N4O5+ 6 345.2132 4.42
+PK$NUM_PEAK: 8
+PK$PEAK: m/z int. rel.int.
+  107.0492 249760.5 449
+  133.0647 29511.9 53
+  134.0964 29515.4 53
+  164.1069 554837.4 999
+  171.1128 115233.8 207
+  251.1396 33714.1 60
+  260.1239 56012.9 100
+  345.2148 32387.8 58
+//
diff --git a/Eawag/MSBNK-EAWAG-ED081406.txt b/Eawag/MSBNK-EAWAG-ED081406.txt
new file mode 100644
index 0000000000..da5a3b9842
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED081406.txt
@@ -0,0 +1,52 @@
+ACCESSION: MSBNK-EAWAG-ED081406
+RECORD_TITLE: Nodulapeptin 855b (and isomers); LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md18090442
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 814
+CH$NAME: Nodulapeptin 855b (and isomers)
+CH$NAME: 2-(3-(3-(hydroxymethyl)-7-methyl-12-(2-(methylsulfinyl)ethyl)-2,5,8,11,14-pentaoxo-6,9-diphenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)-3-methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C42H61N7O10S
+CH$EXACT_MASS: 855.4200622
+CH$SMILES: O=C(N(C(CCC1=CC=CC=C1)C(NC(CO)C2=O)=O)C)C(NC(C(CCS(C)=O)NC(C(CCCCN2)NC(NC(C(CC)C)C(O)=O)=O)=O)=O)CCC3=CC=CC=C3
+CH$IUPAC: InChI=1S/C42H61N7O10S/c1-5-27(2)35(41(56)57)48-42(58)47-30-18-12-13-24-43-36(51)33(26-50)46-39(54)34(22-20-29-16-10-7-11-17-29)49(3)40(55)32(21-19-28-14-8-6-9-15-28)45-38(53)31(44-37(30)52)23-25-60(4)59/h6-11,14-17,27,30-35,50H,5,12-13,18-26H2,1-4H3,(H,43,51)(H,44,52)(H,45,53)(H,46,54)(H,56,57)(H2,47,48,58)
+CH$LINK: PUBCHEM CID:146684748
+CH$LINK: INCHIKEY WTOJHHZFHCUTDI-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 89-895
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.302 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 856.4273
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0bt9-0900000000-cf0d3d6f73241cd6a809
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  107.0491 C7H7O+ 1 107.0491 0.03
+  134.0963 CH16N3O2S+ 2 134.0958 4.21
+  153.1023 C8H13N2O+ 3 153.1022 0.14
+  164.1069 C10H14NO+ 3 164.107 -0.48
+  171.1128 C8H15N2O2+ 3 171.1128 0.22
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  107.0491 451011.3 999
+  134.0963 44200.6 97
+  153.1023 37504.5 83
+  164.1069 394413 873
+  171.1128 118138.7 261
+//
diff --git a/Eawag/MSBNK-EAWAG-ED081407.txt b/Eawag/MSBNK-EAWAG-ED081407.txt
new file mode 100644
index 0000000000..5b73a4f3d5
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED081407.txt
@@ -0,0 +1,60 @@
+ACCESSION: MSBNK-EAWAG-ED081407
+RECORD_TITLE: Nodulapeptin 855b (and isomers); LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md18090442
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 814
+CH$NAME: Nodulapeptin 855b (and isomers)
+CH$NAME: 2-(3-(3-(hydroxymethyl)-7-methyl-12-(2-(methylsulfinyl)ethyl)-2,5,8,11,14-pentaoxo-6,9-diphenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)-3-methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C42H61N7O10S
+CH$EXACT_MASS: 855.4200622
+CH$SMILES: O=C(N(C(CCC1=CC=CC=C1)C(NC(CO)C2=O)=O)C)C(NC(C(CCS(C)=O)NC(C(CCCCN2)NC(NC(C(CC)C)C(O)=O)=O)=O)=O)CCC3=CC=CC=C3
+CH$IUPAC: InChI=1S/C42H61N7O10S/c1-5-27(2)35(41(56)57)48-42(58)47-30-18-12-13-24-43-36(51)33(26-50)46-39(54)34(22-20-29-16-10-7-11-17-29)49(3)40(55)32(21-19-28-14-8-6-9-15-28)45-38(53)31(44-37(30)52)23-25-60(4)59/h6-11,14-17,27,30-35,50H,5,12-13,18-26H2,1-4H3,(H,43,51)(H,44,52)(H,45,53)(H,46,54)(H,56,57)(H2,47,48,58)
+CH$LINK: PUBCHEM CID:146684748
+CH$LINK: INCHIKEY WTOJHHZFHCUTDI-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 89-895
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.302 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 856.4273
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0a4i-0900000000-6273166202a3b71437fc
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  91.0542 C7H7+ 1 91.0542 -0.25
+  104.0531 C4H10NS+ 1 104.0528 2.59
+  107.0491 C7H7O+ 1 107.0491 -0.19
+  117.0699 C9H9+ 1 117.0699 0.5
+  129.1025 C6H13N2O+ 2 129.1022 2.06
+  153.1022 C8H13N2O+ 3 153.1022 -0.36
+  164.107 C10H14NO+ 3 164.107 -0.1
+  171.1129 C8H15N2O2+ 3 171.1128 0.67
+  210.1236 C10H16N3O2+ 3 210.1237 -0.57
+PK$NUM_PEAK: 9
+PK$PEAK: m/z int. rel.int.
+  91.0542 36031.9 59
+  104.0531 24597.3 40
+  107.0491 602295.2 999
+  117.0699 41195.5 68
+  129.1025 41466 68
+  153.1022 31098.6 51
+  164.107 160714.6 266
+  171.1129 54307.2 90
+  210.1236 20757.6 34
+//
diff --git a/Eawag/MSBNK-EAWAG-ED081408.txt b/Eawag/MSBNK-EAWAG-ED081408.txt
new file mode 100644
index 0000000000..4e2e503f83
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED081408.txt
@@ -0,0 +1,54 @@
+ACCESSION: MSBNK-EAWAG-ED081408
+RECORD_TITLE: Nodulapeptin 855b (and isomers); LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md18090442
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 814
+CH$NAME: Nodulapeptin 855b (and isomers)
+CH$NAME: 2-(3-(3-(hydroxymethyl)-7-methyl-12-(2-(methylsulfinyl)ethyl)-2,5,8,11,14-pentaoxo-6,9-diphenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)-3-methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C42H61N7O10S
+CH$EXACT_MASS: 855.4200622
+CH$SMILES: O=C(N(C(CCC1=CC=CC=C1)C(NC(CO)C2=O)=O)C)C(NC(C(CCS(C)=O)NC(C(CCCCN2)NC(NC(C(CC)C)C(O)=O)=O)=O)=O)CCC3=CC=CC=C3
+CH$IUPAC: InChI=1S/C42H61N7O10S/c1-5-27(2)35(41(56)57)48-42(58)47-30-18-12-13-24-43-36(51)33(26-50)46-39(54)34(22-20-29-16-10-7-11-17-29)49(3)40(55)32(21-19-28-14-8-6-9-15-28)45-38(53)31(44-37(30)52)23-25-60(4)59/h6-11,14-17,27,30-35,50H,5,12-13,18-26H2,1-4H3,(H,43,51)(H,44,52)(H,45,53)(H,46,54)(H,56,57)(H2,47,48,58)
+CH$LINK: PUBCHEM CID:146684748
+CH$LINK: INCHIKEY WTOJHHZFHCUTDI-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 89-895
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.302 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 856.4273
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0a4i-0900000000-e3e85dca49a244b42376
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  91.0541 C7H7+ 1 91.0542 -0.92
+  107.0491 C7H7O+ 1 107.0491 0.03
+  117.0698 C9H9+ 2 117.0699 -1.07
+  129.1025 C6H13N2O+ 2 129.1022 1.7
+  164.107 C10H14NO+ 3 164.107 0.08
+  173.0919 C7H13N2O3+ 2 173.0921 -0.84
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  91.0541 73532.5 104
+  107.0491 705055.2 999
+  117.0698 41616.6 58
+  129.1025 30447 43
+  164.107 54922.6 77
+  173.0919 36235.5 51
+//
diff --git a/Eawag/MSBNK-EAWAG-ED081409.txt b/Eawag/MSBNK-EAWAG-ED081409.txt
new file mode 100644
index 0000000000..42425447e9
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED081409.txt
@@ -0,0 +1,48 @@
+ACCESSION: MSBNK-EAWAG-ED081409
+RECORD_TITLE: Nodulapeptin 855b (and isomers); LC-ESI-QFT; MS2; CE: 80%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md18090442
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 814
+CH$NAME: Nodulapeptin 855b (and isomers)
+CH$NAME: 2-(3-(3-(hydroxymethyl)-7-methyl-12-(2-(methylsulfinyl)ethyl)-2,5,8,11,14-pentaoxo-6,9-diphenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)-3-methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C42H61N7O10S
+CH$EXACT_MASS: 855.4200622
+CH$SMILES: O=C(N(C(CCC1=CC=CC=C1)C(NC(CO)C2=O)=O)C)C(NC(C(CCS(C)=O)NC(C(CCCCN2)NC(NC(C(CC)C)C(O)=O)=O)=O)=O)CCC3=CC=CC=C3
+CH$IUPAC: InChI=1S/C42H61N7O10S/c1-5-27(2)35(41(56)57)48-42(58)47-30-18-12-13-24-43-36(51)33(26-50)46-39(54)34(22-20-29-16-10-7-11-17-29)49(3)40(55)32(21-19-28-14-8-6-9-15-28)45-38(53)31(44-37(30)52)23-25-60(4)59/h6-11,14-17,27,30-35,50H,5,12-13,18-26H2,1-4H3,(H,43,51)(H,44,52)(H,45,53)(H,46,54)(H,56,57)(H2,47,48,58)
+CH$LINK: PUBCHEM CID:146684748
+CH$LINK: INCHIKEY WTOJHHZFHCUTDI-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 89-895
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.302 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 856.4273
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0a4i-1900000000-b908d6ee9d598f686361
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  91.0543 C7H7+ 1 91.0542 0.51
+  107.0491 C7H7O+ 1 107.0491 -0.33
+  117.07 C9H9+ 1 117.0699 1.21
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  91.0543 104507.1 146
+  107.0491 712056.6 999
+  117.07 36747.1 51
+//
diff --git a/Eawag/MSBNK-EAWAG-ED081451.txt b/Eawag/MSBNK-EAWAG-ED081451.txt
new file mode 100644
index 0000000000..d7e15a9a0f
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED081451.txt
@@ -0,0 +1,50 @@
+ACCESSION: MSBNK-EAWAG-ED081451
+RECORD_TITLE: Nodulapeptin 855b (and isomers); LC-ESI-QFT; MS2; CE: 15%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md18090442
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 814
+CH$NAME: Nodulapeptin 855b (and isomers)
+CH$NAME: 2-(3-(3-(hydroxymethyl)-7-methyl-12-(2-(methylsulfinyl)ethyl)-2,5,8,11,14-pentaoxo-6,9-diphenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)-3-methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C42H61N7O10S
+CH$EXACT_MASS: 855.4200622
+CH$SMILES: O=C(N(C(CCC1=CC=CC=C1)C(NC(CO)C2=O)=O)C)C(NC(C(CCS(C)=O)NC(C(CCCCN2)NC(NC(C(CC)C)C(O)=O)=O)=O)=O)CCC3=CC=CC=C3
+CH$IUPAC: InChI=1S/C42H61N7O10S/c1-5-27(2)35(41(56)57)48-42(58)47-30-18-12-13-24-43-36(51)33(26-50)46-39(54)34(22-20-29-16-10-7-11-17-29)49(3)40(55)32(21-19-28-14-8-6-9-15-28)45-38(53)31(44-37(30)52)23-25-60(4)59/h6-11,14-17,27,30-35,50H,5,12-13,18-26H2,1-4H3,(H,43,51)(H,44,52)(H,45,53)(H,46,54)(H,56,57)(H2,47,48,58)
+CH$LINK: PUBCHEM CID:146684748
+CH$LINK: INCHIKEY WTOJHHZFHCUTDI-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 89-893
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.316 min
+MS$FOCUSED_ION: BASE_PEAK 146.9383
+MS$FOCUSED_ION: PRECURSOR_M/Z 854.4128
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00di-0000000960-74e7c1a8ec15dd3cb7e7
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  723.3181 C36H47N6O8S- 7 723.3182 -0.02
+  724.3209 C42H48N2O7S- 4 724.3188 2.92
+  836.4022 C42H58N7O9S- 1 836.4022 0.01
+  854.4125 C42H60N7O10S- 1 854.4128 -0.35
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  723.3181 1586760.8 999
+  724.3209 80738.7 50
+  836.4022 673374 423
+  854.4125 623379.4 392
+//
diff --git a/Eawag/MSBNK-EAWAG-ED081452.txt b/Eawag/MSBNK-EAWAG-ED081452.txt
new file mode 100644
index 0000000000..91f2365182
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED081452.txt
@@ -0,0 +1,48 @@
+ACCESSION: MSBNK-EAWAG-ED081452
+RECORD_TITLE: Nodulapeptin 855b (and isomers); LC-ESI-QFT; MS2; CE: 20%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md18090442
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 814
+CH$NAME: Nodulapeptin 855b (and isomers)
+CH$NAME: 2-(3-(3-(hydroxymethyl)-7-methyl-12-(2-(methylsulfinyl)ethyl)-2,5,8,11,14-pentaoxo-6,9-diphenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)-3-methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C42H61N7O10S
+CH$EXACT_MASS: 855.4200622
+CH$SMILES: O=C(N(C(CCC1=CC=CC=C1)C(NC(CO)C2=O)=O)C)C(NC(C(CCS(C)=O)NC(C(CCCCN2)NC(NC(C(CC)C)C(O)=O)=O)=O)=O)CCC3=CC=CC=C3
+CH$IUPAC: InChI=1S/C42H61N7O10S/c1-5-27(2)35(41(56)57)48-42(58)47-30-18-12-13-24-43-36(51)33(26-50)46-39(54)34(22-20-29-16-10-7-11-17-29)49(3)40(55)32(21-19-28-14-8-6-9-15-28)45-38(53)31(44-37(30)52)23-25-60(4)59/h6-11,14-17,27,30-35,50H,5,12-13,18-26H2,1-4H3,(H,43,51)(H,44,52)(H,45,53)(H,46,54)(H,56,57)(H2,47,48,58)
+CH$LINK: PUBCHEM CID:146684748
+CH$LINK: INCHIKEY WTOJHHZFHCUTDI-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 89-893
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.316 min
+MS$FOCUSED_ION: BASE_PEAK 146.9383
+MS$FOCUSED_ION: PRECURSOR_M/Z 854.4128
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00di-0000000920-8c85f1aafb13e4b3ee91
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  723.3177 C42H41N7O5- 7 723.3175 0.26
+  724.321 C42H48N2O7S- 4 724.3188 3.09
+  836.4016 C42H58N7O9S- 1 836.4022 -0.72
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  723.3177 1822559 999
+  724.321 88551.2 48
+  836.4016 594452.5 325
+//
diff --git a/Eawag/MSBNK-EAWAG-ED081453.txt b/Eawag/MSBNK-EAWAG-ED081453.txt
new file mode 100644
index 0000000000..e92c822de3
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED081453.txt
@@ -0,0 +1,48 @@
+ACCESSION: MSBNK-EAWAG-ED081453
+RECORD_TITLE: Nodulapeptin 855b (and isomers); LC-ESI-QFT; MS2; CE: 25%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md18090442
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 814
+CH$NAME: Nodulapeptin 855b (and isomers)
+CH$NAME: 2-(3-(3-(hydroxymethyl)-7-methyl-12-(2-(methylsulfinyl)ethyl)-2,5,8,11,14-pentaoxo-6,9-diphenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)-3-methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C42H61N7O10S
+CH$EXACT_MASS: 855.4200622
+CH$SMILES: O=C(N(C(CCC1=CC=CC=C1)C(NC(CO)C2=O)=O)C)C(NC(C(CCS(C)=O)NC(C(CCCCN2)NC(NC(C(CC)C)C(O)=O)=O)=O)=O)CCC3=CC=CC=C3
+CH$IUPAC: InChI=1S/C42H61N7O10S/c1-5-27(2)35(41(56)57)48-42(58)47-30-18-12-13-24-43-36(51)33(26-50)46-39(54)34(22-20-29-16-10-7-11-17-29)49(3)40(55)32(21-19-28-14-8-6-9-15-28)45-38(53)31(44-37(30)52)23-25-60(4)59/h6-11,14-17,27,30-35,50H,5,12-13,18-26H2,1-4H3,(H,43,51)(H,44,52)(H,45,53)(H,46,54)(H,56,57)(H2,47,48,58)
+CH$LINK: PUBCHEM CID:146684748
+CH$LINK: INCHIKEY WTOJHHZFHCUTDI-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 89-893
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.316 min
+MS$FOCUSED_ION: BASE_PEAK 146.9383
+MS$FOCUSED_ION: PRECURSOR_M/Z 854.4128
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00di-0000000930-1019ee0f4dab5d422112
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  723.3179 C36H47N6O8S- 7 723.3182 -0.36
+  806.3888 C41H56N7O8S- 1 806.3917 -3.56
+  836.4027 C42H58N7O9S- 1 836.4022 0.52
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  723.3179 1402218.2 999
+  806.3888 179829 128
+  836.4027 324361.6 231
+//
diff --git a/Eawag/MSBNK-EAWAG-ED081454.txt b/Eawag/MSBNK-EAWAG-ED081454.txt
new file mode 100644
index 0000000000..4335dbee90
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED081454.txt
@@ -0,0 +1,48 @@
+ACCESSION: MSBNK-EAWAG-ED081454
+RECORD_TITLE: Nodulapeptin 855b (and isomers); LC-ESI-QFT; MS2; CE: 30%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md18090442
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 814
+CH$NAME: Nodulapeptin 855b (and isomers)
+CH$NAME: 2-(3-(3-(hydroxymethyl)-7-methyl-12-(2-(methylsulfinyl)ethyl)-2,5,8,11,14-pentaoxo-6,9-diphenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)-3-methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C42H61N7O10S
+CH$EXACT_MASS: 855.4200622
+CH$SMILES: O=C(N(C(CCC1=CC=CC=C1)C(NC(CO)C2=O)=O)C)C(NC(C(CCS(C)=O)NC(C(CCCCN2)NC(NC(C(CC)C)C(O)=O)=O)=O)=O)CCC3=CC=CC=C3
+CH$IUPAC: InChI=1S/C42H61N7O10S/c1-5-27(2)35(41(56)57)48-42(58)47-30-18-12-13-24-43-36(51)33(26-50)46-39(54)34(22-20-29-16-10-7-11-17-29)49(3)40(55)32(21-19-28-14-8-6-9-15-28)45-38(53)31(44-37(30)52)23-25-60(4)59/h6-11,14-17,27,30-35,50H,5,12-13,18-26H2,1-4H3,(H,43,51)(H,44,52)(H,45,53)(H,46,54)(H,56,57)(H2,47,48,58)
+CH$LINK: PUBCHEM CID:146684748
+CH$LINK: INCHIKEY WTOJHHZFHCUTDI-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 89-893
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.316 min
+MS$FOCUSED_ION: BASE_PEAK 146.9383
+MS$FOCUSED_ION: PRECURSOR_M/Z 854.4128
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-006x-0000009520-fb013238ca8edc7fda8a
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  693.3076 C35H45N6O7S- 9 693.3076 -0.04
+  723.3178 C42H41N7O5- 7 723.3175 0.43
+  806.3906 C41H56N7O8S- 1 806.3917 -1.29
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  693.3076 614640.2 999
+  723.3178 342771 557
+  806.3906 189419.8 307
+//
diff --git a/Eawag/MSBNK-EAWAG-ED081455.txt b/Eawag/MSBNK-EAWAG-ED081455.txt
new file mode 100644
index 0000000000..1f6744526a
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED081455.txt
@@ -0,0 +1,46 @@
+ACCESSION: MSBNK-EAWAG-ED081455
+RECORD_TITLE: Nodulapeptin 855b (and isomers); LC-ESI-QFT; MS2; CE: 40%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md18090442
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 814
+CH$NAME: Nodulapeptin 855b (and isomers)
+CH$NAME: 2-(3-(3-(hydroxymethyl)-7-methyl-12-(2-(methylsulfinyl)ethyl)-2,5,8,11,14-pentaoxo-6,9-diphenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)-3-methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C42H61N7O10S
+CH$EXACT_MASS: 855.4200622
+CH$SMILES: O=C(N(C(CCC1=CC=CC=C1)C(NC(CO)C2=O)=O)C)C(NC(C(CCS(C)=O)NC(C(CCCCN2)NC(NC(C(CC)C)C(O)=O)=O)=O)=O)CCC3=CC=CC=C3
+CH$IUPAC: InChI=1S/C42H61N7O10S/c1-5-27(2)35(41(56)57)48-42(58)47-30-18-12-13-24-43-36(51)33(26-50)46-39(54)34(22-20-29-16-10-7-11-17-29)49(3)40(55)32(21-19-28-14-8-6-9-15-28)45-38(53)31(44-37(30)52)23-25-60(4)59/h6-11,14-17,27,30-35,50H,5,12-13,18-26H2,1-4H3,(H,43,51)(H,44,52)(H,45,53)(H,46,54)(H,56,57)(H2,47,48,58)
+CH$LINK: PUBCHEM CID:146684748
+CH$LINK: INCHIKEY WTOJHHZFHCUTDI-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 89-893
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.316 min
+MS$FOCUSED_ION: BASE_PEAK 146.9383
+MS$FOCUSED_ION: PRECURSOR_M/Z 854.4128
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0002-0009300000-0a9e2c830288e479bfa2
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  347.2081 C10H31N6O5S- 6 347.2082 -0.39
+  418.2082 C19H32NO9- 8 418.2083 -0.15
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  347.2081 325567 999
+  418.2082 137935.5 423
+//
diff --git a/Eawag/MSBNK-EAWAG-ED081456.txt b/Eawag/MSBNK-EAWAG-ED081456.txt
new file mode 100644
index 0000000000..0477318311
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED081456.txt
@@ -0,0 +1,50 @@
+ACCESSION: MSBNK-EAWAG-ED081456
+RECORD_TITLE: Nodulapeptin 855b (and isomers); LC-ESI-QFT; MS2; CE: 50%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md18090442
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 814
+CH$NAME: Nodulapeptin 855b (and isomers)
+CH$NAME: 2-(3-(3-(hydroxymethyl)-7-methyl-12-(2-(methylsulfinyl)ethyl)-2,5,8,11,14-pentaoxo-6,9-diphenethyl-1,4,7,10,13-pentaazacyclononadecan-15-yl)ureido)-3-methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C42H61N7O10S
+CH$EXACT_MASS: 855.4200622
+CH$SMILES: O=C(N(C(CCC1=CC=CC=C1)C(NC(CO)C2=O)=O)C)C(NC(C(CCS(C)=O)NC(C(CCCCN2)NC(NC(C(CC)C)C(O)=O)=O)=O)=O)CCC3=CC=CC=C3
+CH$IUPAC: InChI=1S/C42H61N7O10S/c1-5-27(2)35(41(56)57)48-42(58)47-30-18-12-13-24-43-36(51)33(26-50)46-39(54)34(22-20-29-16-10-7-11-17-29)49(3)40(55)32(21-19-28-14-8-6-9-15-28)45-38(53)31(44-37(30)52)23-25-60(4)59/h6-11,14-17,27,30-35,50H,5,12-13,18-26H2,1-4H3,(H,43,51)(H,44,52)(H,45,53)(H,46,54)(H,56,57)(H2,47,48,58)
+CH$LINK: PUBCHEM CID:146684748
+CH$LINK: INCHIKEY WTOJHHZFHCUTDI-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 89-893
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.316 min
+MS$FOCUSED_ION: BASE_PEAK 146.9383
+MS$FOCUSED_ION: PRECURSOR_M/Z 854.4128
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0002-2019000000-9af784fe02e2c05e5553
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  99.0198 C3H3N2O2- 1 99.02 -1.65
+  113.0358 C4H5N2O2- 1 113.0357 1.37
+  247.1082 C5H19N4O5S- 3 247.1082 -0.01
+  347.2083 C10H31N6O5S- 6 347.2082 0.14
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  99.0198 58749.7 239
+  113.0358 27204.7 110
+  247.1082 50895.5 207
+  347.2083 244873.8 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED084701.txt b/Eawag/MSBNK-EAWAG-ED084701.txt
new file mode 100644
index 0000000000..a5de7ea73a
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED084701.txt
@@ -0,0 +1,55 @@
+ACCESSION: MSBNK-EAWAG-ED084701
+RECORD_TITLE: Microginin 770; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1111/j.1574-6941.2012.01439.x
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 847
+CH$NAME: Microginin 770
+CH$NAME: (2-(2-(2-(2-hydroxy-3-(methylamino)decanamido)-3-methylbutanamido)-4-methylpentanamido)-4-(4-hydroxyphenyl)butanoyl)tyrosine
+CH$NAME: 2-[[2-[[2-[[2-[[2-hydroxy-3-(methylamino)decanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-4-(4-hydroxyphenyl)butanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C41H63N5O9
+CH$EXACT_MASS: 769.4625786
+CH$SMILES: O=C(NC(CC1=CC=C(O)C=C1)C(O)=O)C(CCC2=CC=C(O)C=C2)NC(C(CC(C)C)NC(C(C(C)C)NC(C(O)C(NC)CCCCCCC)=O)=O)=O
+CH$IUPAC: InChI=1S/C41H63N5O9/c1-7-8-9-10-11-12-31(42-6)36(49)40(53)46-35(26(4)5)39(52)44-33(23-25(2)3)38(51)43-32(22-17-27-13-18-29(47)19-14-27)37(50)45-34(41(54)55)24-28-15-20-30(48)21-16-28/h13-16,18-21,25-26,31-36,42,47-49H,7-12,17,22-24H2,1-6H3,(H,43,51)(H,44,52)(H,45,50)(H,46,53)(H,54,55)
+CH$LINK: PUBCHEM CID:146683730
+CH$LINK: INCHIKEY YSNCVQPXJAIHHN-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 80-807
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.150 min
+MS$FOCUSED_ION: BASE_PEAK 770.4687
+MS$FOCUSED_ION: PRECURSOR_M/Z 770.4699
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0229-0000720900-8783262b83d5b99b687d
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  271.1647 C11H21N5O3+ 2 271.1639 3
+  281.2225 C16H29N2O2+ 1 281.2224 0.67
+  412.3166 C22H42N3O4+ 2 412.317 -1.03
+  472.2427 C25H34N3O6+ 2 472.2442 -3.27
+  589.3956 C32H53N4O6+ 3 589.396 -0.67
+  770.4696 C41H64N5O9+ 1 770.4699 -0.38
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  271.1647 4799367.5 24
+  281.2225 5106522.5 25
+  412.3166 169724816 850
+  472.2427 4341308.5 21
+  589.3956 44641640 223
+  770.4696 199466640 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED084702.txt b/Eawag/MSBNK-EAWAG-ED084702.txt
new file mode 100644
index 0000000000..421f40e4eb
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED084702.txt
@@ -0,0 +1,69 @@
+ACCESSION: MSBNK-EAWAG-ED084702
+RECORD_TITLE: Microginin 770; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1111/j.1574-6941.2012.01439.x
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 847
+CH$NAME: Microginin 770
+CH$NAME: (2-(2-(2-(2-hydroxy-3-(methylamino)decanamido)-3-methylbutanamido)-4-methylpentanamido)-4-(4-hydroxyphenyl)butanoyl)tyrosine
+CH$NAME: 2-[[2-[[2-[[2-[[2-hydroxy-3-(methylamino)decanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-4-(4-hydroxyphenyl)butanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C41H63N5O9
+CH$EXACT_MASS: 769.4625786
+CH$SMILES: O=C(NC(CC1=CC=C(O)C=C1)C(O)=O)C(CCC2=CC=C(O)C=C2)NC(C(CC(C)C)NC(C(C(C)C)NC(C(O)C(NC)CCCCCCC)=O)=O)=O
+CH$IUPAC: InChI=1S/C41H63N5O9/c1-7-8-9-10-11-12-31(42-6)36(49)40(53)46-35(26(4)5)39(52)44-33(23-25(2)3)38(51)43-32(22-17-27-13-18-29(47)19-14-27)37(50)45-34(41(54)55)24-28-15-20-30(48)21-16-28/h13-16,18-21,25-26,31-36,42,47-49H,7-12,17,22-24H2,1-6H3,(H,43,51)(H,44,52)(H,45,50)(H,46,53)(H,54,55)
+CH$LINK: PUBCHEM CID:146683730
+CH$LINK: INCHIKEY YSNCVQPXJAIHHN-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 80-807
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.150 min
+MS$FOCUSED_ION: BASE_PEAK 770.4687
+MS$FOCUSED_ION: PRECURSOR_M/Z 770.4699
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03di-0020910000-804bf36b7a87df477051
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  86.0965 C5H12N+ 1 86.0964 1.06
+  132.1015 C6H14NO2+ 1 132.1019 -3.26
+  142.1591 C9H20N+ 1 142.159 0.51
+  182.1534 C11H20NO+ 2 182.1539 -3.01
+  271.1647 C11H21N5O3+ 2 271.1639 2.89
+  281.2218 C16H29N2O2+ 2 281.2224 -1.83
+  299.2323 C16H31N2O3+ 2 299.2329 -1.95
+  394.3062 C22H40N3O3+ 2 394.3064 -0.51
+  412.3163 C22H42N3O4+ 3 412.317 -1.54
+  440.3121 C23H42N3O5+ 2 440.3119 0.54
+  472.2437 C25H34N3O6+ 3 472.2442 -1.01
+  589.3955 C32H53N4O6+ 3 589.396 -0.77
+  770.4693 C41H64N5O9+ 1 770.4699 -0.78
+PK$NUM_PEAK: 13
+PK$PEAK: m/z int. rel.int.
+  86.0965 3630056.8 14
+  132.1015 3650969.8 14
+  142.1591 8872826 34
+  182.1534 7779831 30
+  271.1647 31726390 124
+  281.2218 46349016 181
+  299.2323 3151305.5 12
+  394.3062 11588943 45
+  412.3163 254583008 999
+  440.3121 4573230 17
+  472.2437 9561830 37
+  589.3955 58934632 231
+  770.4693 28235420 110
+//
diff --git a/Eawag/MSBNK-EAWAG-ED084703.txt b/Eawag/MSBNK-EAWAG-ED084703.txt
new file mode 100644
index 0000000000..8cdb09bd5b
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED084703.txt
@@ -0,0 +1,85 @@
+ACCESSION: MSBNK-EAWAG-ED084703
+RECORD_TITLE: Microginin 770; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1111/j.1574-6941.2012.01439.x
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 847
+CH$NAME: Microginin 770
+CH$NAME: (2-(2-(2-(2-hydroxy-3-(methylamino)decanamido)-3-methylbutanamido)-4-methylpentanamido)-4-(4-hydroxyphenyl)butanoyl)tyrosine
+CH$NAME: 2-[[2-[[2-[[2-[[2-hydroxy-3-(methylamino)decanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-4-(4-hydroxyphenyl)butanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C41H63N5O9
+CH$EXACT_MASS: 769.4625786
+CH$SMILES: O=C(NC(CC1=CC=C(O)C=C1)C(O)=O)C(CCC2=CC=C(O)C=C2)NC(C(CC(C)C)NC(C(C(C)C)NC(C(O)C(NC)CCCCCCC)=O)=O)=O
+CH$IUPAC: InChI=1S/C41H63N5O9/c1-7-8-9-10-11-12-31(42-6)36(49)40(53)46-35(26(4)5)39(52)44-33(23-25(2)3)38(51)43-32(22-17-27-13-18-29(47)19-14-27)37(50)45-34(41(54)55)24-28-15-20-30(48)21-16-28/h13-16,18-21,25-26,31-36,42,47-49H,7-12,17,22-24H2,1-6H3,(H,43,51)(H,44,52)(H,45,50)(H,46,53)(H,54,55)
+CH$LINK: PUBCHEM CID:146683730
+CH$LINK: INCHIKEY YSNCVQPXJAIHHN-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 80-807
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.150 min
+MS$FOCUSED_ION: BASE_PEAK 770.4687
+MS$FOCUSED_ION: PRECURSOR_M/Z 770.4699
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-01q9-0491610000-d81e235e163ce2251dfa
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  86.0965 C5H12N+ 1 86.0964 0.44
+  132.1017 C6H14NO2+ 1 132.1019 -1.52
+  142.1588 C9H20N+ 1 142.159 -1.31
+  154.1589 C10H20N+ 1 154.159 -0.91
+  172.169 C10H22NO+ 2 172.1696 -3.31
+  182.1534 C11H20NO+ 2 182.1539 -3.01
+  196.1326 C11H18NO2+ 2 196.1332 -3.25
+  206.0804 C11H12NO3+ 2 206.0812 -3.71
+  209.1645 C10H19N5+ 2 209.1635 4.76
+  253.2265 C13H27N5+ 2 253.2261 1.51
+  260.1277 C15H18NO3+ 2 260.1281 -1.71
+  271.1647 C11H21N5O3+ 2 271.1639 3.11
+  281.2219 C16H29N2O2+ 2 281.2224 -1.51
+  299.2322 C16H31N2O3+ 2 299.2329 -2.46
+  359.16 C19H23N2O5+ 2 359.1601 -0.35
+  394.3058 C22H40N3O3+ 2 394.3064 -1.59
+  412.3166 C22H42N3O4+ 2 412.317 -0.88
+  440.3113 C23H42N3O5+ 3 440.3119 -1.47
+  448.2428 C23H34N3O6+ 2 448.2442 -3.04
+  472.2445 C25H34N3O6+ 2 472.2442 0.61
+  589.3958 C32H53N4O6+ 4 589.396 -0.36
+PK$NUM_PEAK: 21
+PK$PEAK: m/z int. rel.int.
+  86.0965 17738356 158
+  132.1017 8309347.5 74
+  142.1588 34252800 306
+  154.1589 4893661 43
+  172.169 6170497 55
+  182.1534 26681760 238
+  196.1326 2432772 21
+  206.0804 6163006 55
+  209.1645 1262534.9 11
+  253.2265 5235847.5 46
+  260.1277 1852944.5 16
+  271.1647 53403376 477
+  281.2219 89496584 800
+  299.2322 5695971 50
+  359.16 4928430 44
+  394.3058 15826133 141
+  412.3166 111691424 999
+  440.3113 6663583 59
+  448.2428 3781688.2 33
+  472.2445 3520521.5 31
+  589.3958 24004022 214
+//
diff --git a/Eawag/MSBNK-EAWAG-ED084704.txt b/Eawag/MSBNK-EAWAG-ED084704.txt
new file mode 100644
index 0000000000..e3a18712a9
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED084704.txt
@@ -0,0 +1,87 @@
+ACCESSION: MSBNK-EAWAG-ED084704
+RECORD_TITLE: Microginin 770; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1111/j.1574-6941.2012.01439.x
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 847
+CH$NAME: Microginin 770
+CH$NAME: (2-(2-(2-(2-hydroxy-3-(methylamino)decanamido)-3-methylbutanamido)-4-methylpentanamido)-4-(4-hydroxyphenyl)butanoyl)tyrosine
+CH$NAME: 2-[[2-[[2-[[2-[[2-hydroxy-3-(methylamino)decanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-4-(4-hydroxyphenyl)butanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C41H63N5O9
+CH$EXACT_MASS: 769.4625786
+CH$SMILES: O=C(NC(CC1=CC=C(O)C=C1)C(O)=O)C(CCC2=CC=C(O)C=C2)NC(C(CC(C)C)NC(C(C(C)C)NC(C(O)C(NC)CCCCCCC)=O)=O)=O
+CH$IUPAC: InChI=1S/C41H63N5O9/c1-7-8-9-10-11-12-31(42-6)36(49)40(53)46-35(26(4)5)39(52)44-33(23-25(2)3)38(51)43-32(22-17-27-13-18-29(47)19-14-27)37(50)45-34(41(54)55)24-28-15-20-30(48)21-16-28/h13-16,18-21,25-26,31-36,42,47-49H,7-12,17,22-24H2,1-6H3,(H,43,51)(H,44,52)(H,45,50)(H,46,53)(H,54,55)
+CH$LINK: PUBCHEM CID:146683730
+CH$LINK: INCHIKEY YSNCVQPXJAIHHN-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 80-807
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.150 min
+MS$FOCUSED_ION: BASE_PEAK 770.4687
+MS$FOCUSED_ION: PRECURSOR_M/Z 770.4699
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-001l-2980100000-9e5fc8d69924a793364d
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  86.0965 C5H12N+ 1 86.0964 0.44
+  130.0868 C6H12NO2+ 1 130.0863 3.96
+  132.1018 C6H14NO2+ 1 132.1019 -0.6
+  142.1589 C9H20N+ 1 142.159 -0.99
+  150.0914 C9H12NO+ 1 150.0913 0.29
+  154.1588 C10H20N+ 1 154.159 -1.31
+  158.081 C7H12NO3+ 1 158.0812 -1.01
+  172.1691 C10H22NO+ 1 172.1696 -2.69
+  178.0858 C10H12NO2+ 1 178.0863 -2.47
+  182.1534 C11H20NO+ 2 182.1539 -3.09
+  196.1327 C11H18NO2+ 2 196.1332 -2.47
+  206.0805 C11H12NO3+ 2 206.0812 -3.34
+  209.1641 C10H19N5+ 2 209.1635 2.65
+  253.2268 C15H29N2O+ 2 253.2274 -2.59
+  260.1279 C15H18NO3+ 2 260.1281 -1.01
+  271.1648 C11H21N5O3+ 2 271.1639 3.23
+  281.222 C16H29N2O2+ 2 281.2224 -1.29
+  299.2327 C16H31N2O3+ 2 299.2329 -0.83
+  359.1597 C19H23N2O5+ 2 359.1601 -1.28
+  394.3063 C22H40N3O3+ 2 394.3064 -0.28
+  412.3166 C22H42N3O4+ 2 412.317 -0.95
+  440.3117 C23H42N3O5+ 2 440.3119 -0.43
+PK$NUM_PEAK: 22
+PK$PEAK: m/z int. rel.int.
+  86.0965 42896296 522
+  130.0868 1138338.4 13
+  132.1018 9094153 110
+  142.1589 69991896 852
+  150.0914 1454237.8 17
+  154.1588 10086692 122
+  158.081 1369205.8 16
+  172.1691 11970169 145
+  178.0858 2572801.5 31
+  182.1534 48510200 591
+  196.1327 3919650.2 47
+  206.0805 5335423.5 65
+  209.1641 2800161 34
+  253.2268 10431862 127
+  260.1279 4890016 59
+  271.1648 44241292 539
+  281.222 81992200 999
+  299.2327 5019078 61
+  359.1597 7412901 90
+  394.3063 7915409 96
+  412.3166 29098274 354
+  440.3117 4066244.5 49
+//
diff --git a/Eawag/MSBNK-EAWAG-ED084705.txt b/Eawag/MSBNK-EAWAG-ED084705.txt
new file mode 100644
index 0000000000..8f811e6357
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED084705.txt
@@ -0,0 +1,73 @@
+ACCESSION: MSBNK-EAWAG-ED084705
+RECORD_TITLE: Microginin 770; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1111/j.1574-6941.2012.01439.x
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 847
+CH$NAME: Microginin 770
+CH$NAME: (2-(2-(2-(2-hydroxy-3-(methylamino)decanamido)-3-methylbutanamido)-4-methylpentanamido)-4-(4-hydroxyphenyl)butanoyl)tyrosine
+CH$NAME: 2-[[2-[[2-[[2-[[2-hydroxy-3-(methylamino)decanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-4-(4-hydroxyphenyl)butanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C41H63N5O9
+CH$EXACT_MASS: 769.4625786
+CH$SMILES: O=C(NC(CC1=CC=C(O)C=C1)C(O)=O)C(CCC2=CC=C(O)C=C2)NC(C(CC(C)C)NC(C(C(C)C)NC(C(O)C(NC)CCCCCCC)=O)=O)=O
+CH$IUPAC: InChI=1S/C41H63N5O9/c1-7-8-9-10-11-12-31(42-6)36(49)40(53)46-35(26(4)5)39(52)44-33(23-25(2)3)38(51)43-32(22-17-27-13-18-29(47)19-14-27)37(50)45-34(41(54)55)24-28-15-20-30(48)21-16-28/h13-16,18-21,25-26,31-36,42,47-49H,7-12,17,22-24H2,1-6H3,(H,43,51)(H,44,52)(H,45,50)(H,46,53)(H,54,55)
+CH$LINK: PUBCHEM CID:146683730
+CH$LINK: INCHIKEY YSNCVQPXJAIHHN-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 80-807
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.150 min
+MS$FOCUSED_ION: BASE_PEAK 770.4687
+MS$FOCUSED_ION: PRECURSOR_M/Z 770.4699
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0016-2910000000-a2de0ecf44617edea2a7
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  86.0964 C5H12N+ 1 86.0964 -0.18
+  114.0913 C6H12NO+ 1 114.0913 -0.62
+  130.0859 C6H12NO2+ 1 130.0863 -2.37
+  132.1019 C6H14NO2+ 1 132.1019 -0.37
+  141.1019 C7H13N2O+ 1 141.1022 -2.56
+  142.1588 C9H20N+ 1 142.159 -1.63
+  150.0912 C9H12NO+ 1 150.0913 -1.13
+  154.1587 C10H20N+ 1 154.159 -2
+  172.169 C10H22NO+ 2 172.1696 -3.58
+  182.1533 C11H20NO+ 2 182.1539 -3.51
+  196.1327 C11H18NO2+ 2 196.1332 -2.39
+  253.2267 C13H27N5+ 2 253.2261 2.53
+  260.1274 C13H16N4O2+ 2 260.1268 2.51
+  271.1648 C11H21N5O3+ 2 271.1639 3.23
+  281.2218 C16H29N2O2+ 2 281.2224 -1.94
+PK$NUM_PEAK: 15
+PK$PEAK: m/z int. rel.int.
+  86.0964 70104368 559
+  114.0913 1724142.1 13
+  130.0859 6631840.5 52
+  132.1019 8679806 69
+  141.1019 6031724 48
+  142.1588 125261320 999
+  150.0912 8787208 70
+  154.1587 14492992 115
+  172.169 14856146 118
+  182.1533 71293296 568
+  196.1327 5584800.5 44
+  253.2267 8764742 69
+  260.1274 5884365 46
+  271.1648 12960821 103
+  281.2218 21179822 168
+//
diff --git a/Eawag/MSBNK-EAWAG-ED084706.txt b/Eawag/MSBNK-EAWAG-ED084706.txt
new file mode 100644
index 0000000000..b3b7c1a0e8
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED084706.txt
@@ -0,0 +1,77 @@
+ACCESSION: MSBNK-EAWAG-ED084706
+RECORD_TITLE: Microginin 770; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1111/j.1574-6941.2012.01439.x
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 847
+CH$NAME: Microginin 770
+CH$NAME: (2-(2-(2-(2-hydroxy-3-(methylamino)decanamido)-3-methylbutanamido)-4-methylpentanamido)-4-(4-hydroxyphenyl)butanoyl)tyrosine
+CH$NAME: 2-[[2-[[2-[[2-[[2-hydroxy-3-(methylamino)decanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-4-(4-hydroxyphenyl)butanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C41H63N5O9
+CH$EXACT_MASS: 769.4625786
+CH$SMILES: O=C(NC(CC1=CC=C(O)C=C1)C(O)=O)C(CCC2=CC=C(O)C=C2)NC(C(CC(C)C)NC(C(C(C)C)NC(C(O)C(NC)CCCCCCC)=O)=O)=O
+CH$IUPAC: InChI=1S/C41H63N5O9/c1-7-8-9-10-11-12-31(42-6)36(49)40(53)46-35(26(4)5)39(52)44-33(23-25(2)3)38(51)43-32(22-17-27-13-18-29(47)19-14-27)37(50)45-34(41(54)55)24-28-15-20-30(48)21-16-28/h13-16,18-21,25-26,31-36,42,47-49H,7-12,17,22-24H2,1-6H3,(H,43,51)(H,44,52)(H,45,50)(H,46,53)(H,54,55)
+CH$LINK: PUBCHEM CID:146683730
+CH$LINK: INCHIKEY YSNCVQPXJAIHHN-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 80-807
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.150 min
+MS$FOCUSED_ION: BASE_PEAK 770.4687
+MS$FOCUSED_ION: PRECURSOR_M/Z 770.4699
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0006-2900000000-ab648ec6639884c49874
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  84.0808 C5H10N+ 1 84.0808 -0.2
+  86.0964 C5H12N+ 1 86.0964 0.18
+  112.0758 C6H10NO+ 1 112.0757 0.72
+  114.0913 C6H12NO+ 1 114.0913 -0.28
+  121.0647 C8H9O+ 1 121.0648 -0.48
+  130.0861 C6H12NO2+ 1 130.0863 -1.32
+  132.1018 C6H14NO2+ 1 132.1019 -0.71
+  141.1022 C7H13N2O+ 1 141.1022 -0.61
+  142.1588 C9H20N+ 1 142.159 -1.42
+  150.0911 C9H12NO+ 1 150.0913 -1.64
+  154.1588 C10H20N+ 1 154.159 -1.7
+  172.169 C10H22NO+ 2 172.1696 -3.22
+  178.0856 C10H12NO2+ 2 178.0863 -3.42
+  182.1533 C11H20NO+ 2 182.1539 -3.26
+  196.1329 C11H18NO2+ 1 196.1332 -1.77
+  253.227 C15H29N2O+ 2 253.2274 -1.93
+  260.1273 C13H16N4O2+ 2 260.1268 2.04
+PK$NUM_PEAK: 17
+PK$PEAK: m/z int. rel.int.
+  84.0808 1555698.9 10
+  86.0964 69880448 469
+  112.0758 1613907 10
+  114.0913 3205092 21
+  121.0647 1753967.5 11
+  130.0861 12950649 86
+  132.1018 4893906.5 32
+  141.1022 4210400 28
+  142.1588 148775632 999
+  150.0911 12396557 83
+  154.1588 15587950 104
+  172.169 10205470 68
+  178.0856 3215831.8 21
+  182.1533 50216696 337
+  196.1329 4752655 31
+  253.227 2916457.5 19
+  260.1273 3377809.2 22
+//
diff --git a/Eawag/MSBNK-EAWAG-ED084707.txt b/Eawag/MSBNK-EAWAG-ED084707.txt
new file mode 100644
index 0000000000..5649056a2e
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED084707.txt
@@ -0,0 +1,73 @@
+ACCESSION: MSBNK-EAWAG-ED084707
+RECORD_TITLE: Microginin 770; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1111/j.1574-6941.2012.01439.x
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 847
+CH$NAME: Microginin 770
+CH$NAME: (2-(2-(2-(2-hydroxy-3-(methylamino)decanamido)-3-methylbutanamido)-4-methylpentanamido)-4-(4-hydroxyphenyl)butanoyl)tyrosine
+CH$NAME: 2-[[2-[[2-[[2-[[2-hydroxy-3-(methylamino)decanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-4-(4-hydroxyphenyl)butanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C41H63N5O9
+CH$EXACT_MASS: 769.4625786
+CH$SMILES: O=C(NC(CC1=CC=C(O)C=C1)C(O)=O)C(CCC2=CC=C(O)C=C2)NC(C(CC(C)C)NC(C(C(C)C)NC(C(O)C(NC)CCCCCCC)=O)=O)=O
+CH$IUPAC: InChI=1S/C41H63N5O9/c1-7-8-9-10-11-12-31(42-6)36(49)40(53)46-35(26(4)5)39(52)44-33(23-25(2)3)38(51)43-32(22-17-27-13-18-29(47)19-14-27)37(50)45-34(41(54)55)24-28-15-20-30(48)21-16-28/h13-16,18-21,25-26,31-36,42,47-49H,7-12,17,22-24H2,1-6H3,(H,43,51)(H,44,52)(H,45,50)(H,46,53)(H,54,55)
+CH$LINK: PUBCHEM CID:146683730
+CH$LINK: INCHIKEY YSNCVQPXJAIHHN-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 80-807
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.150 min
+MS$FOCUSED_ION: BASE_PEAK 770.4687
+MS$FOCUSED_ION: PRECURSOR_M/Z 770.4699
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0006-2900000000-66a63d96ba78d4a337b4
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  81.0698 C6H9+ 1 81.0699 -1.42
+  84.0808 C5H10N+ 1 84.0808 0.43
+  86.0965 C5H12N+ 1 86.0964 0.53
+  98.0598 C5H8NO+ 1 98.06 -2.08
+  114.0912 C6H12NO+ 1 114.0913 -0.82
+  121.0645 C8H9O+ 1 121.0648 -2
+  130.0861 C6H12NO2+ 1 130.0863 -0.97
+  132.1016 C6H14NO2+ 1 132.1019 -2.33
+  141.1024 C7H13N2O+ 1 141.1022 1.22
+  142.1589 C9H20N+ 1 142.159 -0.99
+  150.0912 C9H12NO+ 1 150.0913 -1.13
+  154.1589 C10H20N+ 1 154.159 -1.11
+  172.1693 C10H22NO+ 1 172.1696 -1.81
+  182.1534 C11H20NO+ 2 182.1539 -2.92
+  196.1326 C11H18NO2+ 2 196.1332 -3.32
+PK$NUM_PEAK: 15
+PK$PEAK: m/z int. rel.int.
+  81.0698 1714532.9 11
+  84.0808 3017343.8 20
+  86.0965 63212384 432
+  98.0598 1787700.5 12
+  114.0912 3706688.2 25
+  121.0645 3657123.5 25
+  130.0861 12429975 85
+  132.1016 2417337 16
+  141.1024 1906618.9 13
+  142.1589 146051392 999
+  150.0912 11358859 77
+  154.1589 12593433 86
+  172.1693 6338084 43
+  182.1534 22805716 155
+  196.1326 2912172.5 19
+//
diff --git a/Eawag/MSBNK-EAWAG-ED084708.txt b/Eawag/MSBNK-EAWAG-ED084708.txt
new file mode 100644
index 0000000000..b3ccea10e3
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED084708.txt
@@ -0,0 +1,69 @@
+ACCESSION: MSBNK-EAWAG-ED084708
+RECORD_TITLE: Microginin 770; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1111/j.1574-6941.2012.01439.x
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 847
+CH$NAME: Microginin 770
+CH$NAME: (2-(2-(2-(2-hydroxy-3-(methylamino)decanamido)-3-methylbutanamido)-4-methylpentanamido)-4-(4-hydroxyphenyl)butanoyl)tyrosine
+CH$NAME: 2-[[2-[[2-[[2-[[2-hydroxy-3-(methylamino)decanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-4-(4-hydroxyphenyl)butanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C41H63N5O9
+CH$EXACT_MASS: 769.4625786
+CH$SMILES: O=C(NC(CC1=CC=C(O)C=C1)C(O)=O)C(CCC2=CC=C(O)C=C2)NC(C(CC(C)C)NC(C(C(C)C)NC(C(O)C(NC)CCCCCCC)=O)=O)=O
+CH$IUPAC: InChI=1S/C41H63N5O9/c1-7-8-9-10-11-12-31(42-6)36(49)40(53)46-35(26(4)5)39(52)44-33(23-25(2)3)38(51)43-32(22-17-27-13-18-29(47)19-14-27)37(50)45-34(41(54)55)24-28-15-20-30(48)21-16-28/h13-16,18-21,25-26,31-36,42,47-49H,7-12,17,22-24H2,1-6H3,(H,43,51)(H,44,52)(H,45,50)(H,46,53)(H,54,55)
+CH$LINK: PUBCHEM CID:146683730
+CH$LINK: INCHIKEY YSNCVQPXJAIHHN-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 80-807
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.150 min
+MS$FOCUSED_ION: BASE_PEAK 770.4687
+MS$FOCUSED_ION: PRECURSOR_M/Z 770.4699
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-000f-3900000000-d4e396850b22edaec904
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  81.0699 C6H9+ 1 81.0699 0.47
+  84.0807 C5H10N+ 1 84.0808 -0.66
+  86.0964 C5H12N+ 1 86.0964 -0.18
+  98.0599 C5H8NO+ 1 98.06 -1.92
+  112.0755 C6H10NO+ 1 112.0757 -1.66
+  114.0911 C6H12NO+ 1 114.0913 -1.82
+  121.0646 C8H9O+ 1 121.0648 -1.68
+  130.086 C6H12NO2+ 1 130.0863 -1.67
+  142.1588 C9H20N+ 1 142.159 -1.74
+  150.0911 C9H12NO+ 1 150.0913 -1.85
+  154.1587 C10H20N+ 1 154.159 -2.4
+  172.1688 C10H22NO+ 2 172.1696 -4.64
+  182.1533 C11H20NO+ 2 182.1539 -3.68
+PK$NUM_PEAK: 13
+PK$PEAK: m/z int. rel.int.
+  81.0699 2074743.1 17
+  84.0807 3293723.2 27
+  86.0964 62401076 514
+  98.0599 1426825.6 11
+  112.0755 1452754.8 11
+  114.0911 3649117 30
+  121.0646 3703695.5 30
+  130.086 8902649 73
+  142.1588 121215448 999
+  150.0911 11151284 91
+  154.1587 8663538 71
+  172.1688 2849325 23
+  182.1533 9142615 75
+//
diff --git a/Eawag/MSBNK-EAWAG-ED084709.txt b/Eawag/MSBNK-EAWAG-ED084709.txt
new file mode 100644
index 0000000000..fcc799aaf4
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED084709.txt
@@ -0,0 +1,69 @@
+ACCESSION: MSBNK-EAWAG-ED084709
+RECORD_TITLE: Microginin 770; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1111/j.1574-6941.2012.01439.x
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 847
+CH$NAME: Microginin 770
+CH$NAME: (2-(2-(2-(2-hydroxy-3-(methylamino)decanamido)-3-methylbutanamido)-4-methylpentanamido)-4-(4-hydroxyphenyl)butanoyl)tyrosine
+CH$NAME: 2-[[2-[[2-[[2-[[2-hydroxy-3-(methylamino)decanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-4-(4-hydroxyphenyl)butanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C41H63N5O9
+CH$EXACT_MASS: 769.4625786
+CH$SMILES: O=C(NC(CC1=CC=C(O)C=C1)C(O)=O)C(CCC2=CC=C(O)C=C2)NC(C(CC(C)C)NC(C(C(C)C)NC(C(O)C(NC)CCCCCCC)=O)=O)=O
+CH$IUPAC: InChI=1S/C41H63N5O9/c1-7-8-9-10-11-12-31(42-6)36(49)40(53)46-35(26(4)5)39(52)44-33(23-25(2)3)38(51)43-32(22-17-27-13-18-29(47)19-14-27)37(50)45-34(41(54)55)24-28-15-20-30(48)21-16-28/h13-16,18-21,25-26,31-36,42,47-49H,7-12,17,22-24H2,1-6H3,(H,43,51)(H,44,52)(H,45,50)(H,46,53)(H,54,55)
+CH$LINK: PUBCHEM CID:146683730
+CH$LINK: INCHIKEY YSNCVQPXJAIHHN-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 80-807
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.150 min
+MS$FOCUSED_ION: BASE_PEAK 770.4687
+MS$FOCUSED_ION: PRECURSOR_M/Z 770.4699
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-000f-5900000000-e4936df8276734f6b5d7
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  81.0698 C6H9+ 1 81.0699 -0.66
+  84.0808 C5H10N+ 1 84.0808 0.25
+  86.0964 C5H12N+ 1 86.0964 0.18
+  98.0599 C5H8NO+ 1 98.06 -1.92
+  107.0488 C7H7O+ 1 107.0491 -3.14
+  112.0754 C6H10NO+ 1 112.0757 -2.27
+  114.0913 C6H12NO+ 1 114.0913 -0.08
+  121.0646 C8H9O+ 1 121.0648 -1.18
+  130.0861 C6H12NO2+ 1 130.0863 -0.97
+  142.1588 C9H20N+ 1 142.159 -1.42
+  150.0912 C9H12NO+ 1 150.0913 -0.63
+  154.1586 C10H20N+ 1 154.159 -2.59
+  172.1689 C10H22NO+ 2 172.1696 -4.29
+PK$NUM_PEAK: 13
+PK$PEAK: m/z int. rel.int.
+  81.0698 1923476.1 27
+  84.0808 3427752.2 48
+  86.0964 47803624 676
+  98.0599 886063.6 12
+  107.0488 992464.8 14
+  112.0754 1353510.1 19
+  114.0913 2438853.5 34
+  121.0646 3191459.2 45
+  130.0861 4953110.5 70
+  142.1588 70566088 999
+  150.0912 6012364.5 85
+  154.1586 3332691.5 47
+  172.1689 1103815.5 15
+//
diff --git a/Eawag/MSBNK-EAWAG-ED084751.txt b/Eawag/MSBNK-EAWAG-ED084751.txt
new file mode 100644
index 0000000000..006a2c7525
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED084751.txt
@@ -0,0 +1,45 @@
+ACCESSION: MSBNK-EAWAG-ED084751
+RECORD_TITLE: Microginin 770; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1111/j.1574-6941.2012.01439.x
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 847
+CH$NAME: Microginin 770
+CH$NAME: (2-(2-(2-(2-hydroxy-3-(methylamino)decanamido)-3-methylbutanamido)-4-methylpentanamido)-4-(4-hydroxyphenyl)butanoyl)tyrosine
+CH$NAME: 2-[[2-[[2-[[2-[[2-hydroxy-3-(methylamino)decanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-4-(4-hydroxyphenyl)butanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C41H63N5O9
+CH$EXACT_MASS: 769.4625786
+CH$SMILES: O=C(NC(CC1=CC=C(O)C=C1)C(O)=O)C(CCC2=CC=C(O)C=C2)NC(C(CC(C)C)NC(C(C(C)C)NC(C(O)C(NC)CCCCCCC)=O)=O)=O
+CH$IUPAC: InChI=1S/C41H63N5O9/c1-7-8-9-10-11-12-31(42-6)36(49)40(53)46-35(26(4)5)39(52)44-33(23-25(2)3)38(51)43-32(22-17-27-13-18-29(47)19-14-27)37(50)45-34(41(54)55)24-28-15-20-30(48)21-16-28/h13-16,18-21,25-26,31-36,42,47-49H,7-12,17,22-24H2,1-6H3,(H,43,51)(H,44,52)(H,45,50)(H,46,53)(H,54,55)
+CH$LINK: PUBCHEM CID:146683730
+CH$LINK: INCHIKEY YSNCVQPXJAIHHN-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 80-805
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.189 min
+MS$FOCUSED_ION: BASE_PEAK 768.456
+MS$FOCUSED_ION: PRECURSOR_M/Z 768.4553
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-014i-0000000900-4166428c0bed26c21f4c
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  768.456 C41H62N5O9- 1 768.4553 0.96
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  768.456 146533520 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED084752.txt b/Eawag/MSBNK-EAWAG-ED084752.txt
new file mode 100644
index 0000000000..1479de8fa9
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED084752.txt
@@ -0,0 +1,45 @@
+ACCESSION: MSBNK-EAWAG-ED084752
+RECORD_TITLE: Microginin 770; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1111/j.1574-6941.2012.01439.x
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 847
+CH$NAME: Microginin 770
+CH$NAME: (2-(2-(2-(2-hydroxy-3-(methylamino)decanamido)-3-methylbutanamido)-4-methylpentanamido)-4-(4-hydroxyphenyl)butanoyl)tyrosine
+CH$NAME: 2-[[2-[[2-[[2-[[2-hydroxy-3-(methylamino)decanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-4-(4-hydroxyphenyl)butanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C41H63N5O9
+CH$EXACT_MASS: 769.4625786
+CH$SMILES: O=C(NC(CC1=CC=C(O)C=C1)C(O)=O)C(CCC2=CC=C(O)C=C2)NC(C(CC(C)C)NC(C(C(C)C)NC(C(O)C(NC)CCCCCCC)=O)=O)=O
+CH$IUPAC: InChI=1S/C41H63N5O9/c1-7-8-9-10-11-12-31(42-6)36(49)40(53)46-35(26(4)5)39(52)44-33(23-25(2)3)38(51)43-32(22-17-27-13-18-29(47)19-14-27)37(50)45-34(41(54)55)24-28-15-20-30(48)21-16-28/h13-16,18-21,25-26,31-36,42,47-49H,7-12,17,22-24H2,1-6H3,(H,43,51)(H,44,52)(H,45,50)(H,46,53)(H,54,55)
+CH$LINK: PUBCHEM CID:146683730
+CH$LINK: INCHIKEY YSNCVQPXJAIHHN-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 80-805
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.189 min
+MS$FOCUSED_ION: BASE_PEAK 768.456
+MS$FOCUSED_ION: PRECURSOR_M/Z 768.4553
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-014i-0000000900-336a69f7fc3a0f4f5fe5
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  768.4564 C41H62N5O9- 1 768.4553 1.44
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  768.4564 156363024 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED084753.txt b/Eawag/MSBNK-EAWAG-ED084753.txt
new file mode 100644
index 0000000000..73889d86d4
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED084753.txt
@@ -0,0 +1,55 @@
+ACCESSION: MSBNK-EAWAG-ED084753
+RECORD_TITLE: Microginin 770; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1111/j.1574-6941.2012.01439.x
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 847
+CH$NAME: Microginin 770
+CH$NAME: (2-(2-(2-(2-hydroxy-3-(methylamino)decanamido)-3-methylbutanamido)-4-methylpentanamido)-4-(4-hydroxyphenyl)butanoyl)tyrosine
+CH$NAME: 2-[[2-[[2-[[2-[[2-hydroxy-3-(methylamino)decanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-4-(4-hydroxyphenyl)butanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C41H63N5O9
+CH$EXACT_MASS: 769.4625786
+CH$SMILES: O=C(NC(CC1=CC=C(O)C=C1)C(O)=O)C(CCC2=CC=C(O)C=C2)NC(C(CC(C)C)NC(C(C(C)C)NC(C(O)C(NC)CCCCCCC)=O)=O)=O
+CH$IUPAC: InChI=1S/C41H63N5O9/c1-7-8-9-10-11-12-31(42-6)36(49)40(53)46-35(26(4)5)39(52)44-33(23-25(2)3)38(51)43-32(22-17-27-13-18-29(47)19-14-27)37(50)45-34(41(54)55)24-28-15-20-30(48)21-16-28/h13-16,18-21,25-26,31-36,42,47-49H,7-12,17,22-24H2,1-6H3,(H,43,51)(H,44,52)(H,45,50)(H,46,53)(H,54,55)
+CH$LINK: PUBCHEM CID:146683730
+CH$LINK: INCHIKEY YSNCVQPXJAIHHN-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 80-805
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.189 min
+MS$FOCUSED_ION: BASE_PEAK 768.456
+MS$FOCUSED_ION: PRECURSOR_M/Z 768.4553
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-014i-0000000900-9a5a8edf1aaf43916658
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  180.066 C9H10NO3- 2 180.0666 -3.31
+  282.1132 C17H16NO3- 2 282.1136 -1.43
+  357.1453 C19H21N2O5- 2 357.1456 -0.77
+  481.3397 C25H45N4O5- 3 481.3395 0.3
+  662.414 C36H58N2O9- 2 662.4148 -1.19
+  768.4561 C41H62N5O9- 1 768.4553 1.04
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  180.066 2316146 19
+  282.1132 1603554 13
+  357.1453 3554684.8 29
+  481.3397 1839151.5 15
+  662.414 2093938.2 17
+  768.4561 120479504 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED084754.txt b/Eawag/MSBNK-EAWAG-ED084754.txt
new file mode 100644
index 0000000000..b45caef967
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED084754.txt
@@ -0,0 +1,83 @@
+ACCESSION: MSBNK-EAWAG-ED084754
+RECORD_TITLE: Microginin 770; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1111/j.1574-6941.2012.01439.x
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 847
+CH$NAME: Microginin 770
+CH$NAME: (2-(2-(2-(2-hydroxy-3-(methylamino)decanamido)-3-methylbutanamido)-4-methylpentanamido)-4-(4-hydroxyphenyl)butanoyl)tyrosine
+CH$NAME: 2-[[2-[[2-[[2-[[2-hydroxy-3-(methylamino)decanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-4-(4-hydroxyphenyl)butanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C41H63N5O9
+CH$EXACT_MASS: 769.4625786
+CH$SMILES: O=C(NC(CC1=CC=C(O)C=C1)C(O)=O)C(CCC2=CC=C(O)C=C2)NC(C(CC(C)C)NC(C(C(C)C)NC(C(O)C(NC)CCCCCCC)=O)=O)=O
+CH$IUPAC: InChI=1S/C41H63N5O9/c1-7-8-9-10-11-12-31(42-6)36(49)40(53)46-35(26(4)5)39(52)44-33(23-25(2)3)38(51)43-32(22-17-27-13-18-29(47)19-14-27)37(50)45-34(41(54)55)24-28-15-20-30(48)21-16-28/h13-16,18-21,25-26,31-36,42,47-49H,7-12,17,22-24H2,1-6H3,(H,43,51)(H,44,52)(H,45,50)(H,46,53)(H,54,55)
+CH$LINK: PUBCHEM CID:146683730
+CH$LINK: INCHIKEY YSNCVQPXJAIHHN-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 80-805
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.189 min
+MS$FOCUSED_ION: BASE_PEAK 768.456
+MS$FOCUSED_ION: PRECURSOR_M/Z 768.4553
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-014i-0111100900-c449aef7e028272782d9
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  126.0557 C6H8NO2- 1 126.0561 -2.51
+  134.0608 C8H8NO- 1 134.0611 -2.33
+  143.1185 C7H15N2O- 1 143.119 -3.14
+  147.045 C9H7O2- 1 147.0452 -0.85
+  163.0396 C9H7O3- 1 163.0401 -2.69
+  180.066 C9H10NO3- 2 180.0666 -3.48
+  206.0454 C10H8NO4- 2 206.0459 -2.09
+  211.1446 C11H19N2O2- 2 211.1452 -2.73
+  242.1868 C12H24N3O2- 1 242.1874 -2.41
+  251.1033 C12H15N2O4- 2 251.1037 -1.89
+  279.207 C16H27N2O2- 2 279.2078 -3
+  282.1132 C17H16NO3- 2 282.1136 -1.43
+  326.1031 C18H16NO5- 2 326.1034 -0.93
+  328.2603 C17H34N3O3- 2 328.2606 -0.89
+  357.1456 C19H21N2O5- 2 357.1456 0
+  441.3445 C23H45N4O4- 3 441.3446 -0.29
+  470.2298 C25H32N3O6- 2 470.2297 0.24
+  481.3399 C25H45N4O5- 4 481.3395 0.74
+  662.4138 C36H58N2O9- 2 662.4148 -1.46
+  768.4562 C41H62N5O9- 1 768.4553 1.12
+PK$NUM_PEAK: 20
+PK$PEAK: m/z int. rel.int.
+  126.0557 750382.8 12
+  134.0608 771307.8 12
+  143.1185 900455.7 14
+  147.045 628024.3 10
+  163.0396 948988.8 15
+  180.066 8653216 141
+  206.0454 1177733 19
+  211.1446 975862.7 15
+  242.1868 1063228.5 17
+  251.1033 667961.1 10
+  279.207 942639.3 15
+  282.1132 6903405 113
+  326.1031 1988910 32
+  328.2603 855369.2 14
+  357.1456 8189778.5 134
+  441.3445 2945796.2 48
+  470.2298 1363392.9 22
+  481.3399 3781627.2 61
+  662.4138 5070832 83
+  768.4562 61008756 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED084755.txt b/Eawag/MSBNK-EAWAG-ED084755.txt
new file mode 100644
index 0000000000..52dfe750b9
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED084755.txt
@@ -0,0 +1,141 @@
+ACCESSION: MSBNK-EAWAG-ED084755
+RECORD_TITLE: Microginin 770; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1111/j.1574-6941.2012.01439.x
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 847
+CH$NAME: Microginin 770
+CH$NAME: (2-(2-(2-(2-hydroxy-3-(methylamino)decanamido)-3-methylbutanamido)-4-methylpentanamido)-4-(4-hydroxyphenyl)butanoyl)tyrosine
+CH$NAME: 2-[[2-[[2-[[2-[[2-hydroxy-3-(methylamino)decanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-4-(4-hydroxyphenyl)butanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C41H63N5O9
+CH$EXACT_MASS: 769.4625786
+CH$SMILES: O=C(NC(CC1=CC=C(O)C=C1)C(O)=O)C(CCC2=CC=C(O)C=C2)NC(C(CC(C)C)NC(C(C(C)C)NC(C(O)C(NC)CCCCCCC)=O)=O)=O
+CH$IUPAC: InChI=1S/C41H63N5O9/c1-7-8-9-10-11-12-31(42-6)36(49)40(53)46-35(26(4)5)39(52)44-33(23-25(2)3)38(51)43-32(22-17-27-13-18-29(47)19-14-27)37(50)45-34(41(54)55)24-28-15-20-30(48)21-16-28/h13-16,18-21,25-26,31-36,42,47-49H,7-12,17,22-24H2,1-6H3,(H,43,51)(H,44,52)(H,45,50)(H,46,53)(H,54,55)
+CH$LINK: PUBCHEM CID:146683730
+CH$LINK: INCHIKEY YSNCVQPXJAIHHN-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 80-805
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.189 min
+MS$FOCUSED_ION: BASE_PEAK 768.456
+MS$FOCUSED_ION: PRECURSOR_M/Z 768.4553
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-001i-0951000000-6d04c544eb502d062f3a
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  85.0407 C3H5N2O- 1 85.0407 -0.73
+  87.0564 C3H7N2O- 1 87.0564 -0.31
+  88.0404 C3H6NO2- 1 88.0404 0.48
+  93.0346 C6H5O- 1 93.0346 0.22
+  94.0664 C6H8N- 1 94.0662 1.39
+  100.0039 C3H2NO3- 1 100.004 -0.77
+  106.0423 C7H6O- 1 106.0424 -0.76
+  107.0503 C7H7O- 1 107.0502 0.92
+  112.077 C6H10NO- 1 112.0768 2.22
+  113.0354 C4H5N2O2- 1 113.0357 -2.35
+  119.0502 C8H7O- 1 119.0502 -0.32
+  126.0559 C6H8NO2- 1 126.0561 -0.94
+  127.0513 C5H7N2O2- 1 127.0513 -0.01
+  129.1032 C6H13N2O- 1 129.1033 -1.14
+  130.0871 C6H12NO2- 1 130.0874 -2.08
+  134.061 C8H8NO- 1 134.0611 -1.08
+  136.0764 C8H10NO- 1 136.0768 -2.55
+  138.0558 C7H8NO2- 1 138.0561 -1.91
+  140.071 C5H8N4O- 1 140.0704 4.22
+  143.1187 C7H15N2O- 1 143.119 -1.96
+  145.0291 C9H5O2- 1 145.0295 -2.91
+  146.0608 C9H8NO- 1 146.0611 -2.18
+  147.0448 C9H7O2- 1 147.0452 -2.51
+  155.082 C7H11N2O2- 2 155.0826 -3.91
+  156.0661 C7H10NO3- 1 156.0666 -3.52
+  157.098 C7H13N2O2- 1 157.0983 -1.64
+  162.0553 C9H8NO2- 2 162.0561 -4.39
+  163.0396 C9H7O3- 1 163.0401 -3.16
+  169.0977 C8H13N2O2- 2 169.0983 -3.1
+  174.0554 C8H6N4O- 2 174.0547 4.21
+  180.066 C9H10NO3- 2 180.0666 -3.31
+  183.1131 C9H15N2O2- 2 183.1139 -4.41
+  185.1652 C10H21N2O- 2 185.1659 -3.88
+  206.0455 C10H8NO4- 2 206.0459 -1.87
+  207.1134 C11H15N2O2- 2 207.1139 -2.5
+  211.1446 C11H19N2O2- 2 211.1452 -2.8
+  242.187 C12H24N3O2- 1 242.1874 -1.85
+  251.1034 C12H15N2O4- 2 251.1037 -1.35
+  253.2275 C15H29N2O- 2 253.2285 -4.03
+  256.2024 C13H26N3O2- 1 256.2031 -2.42
+  279.2074 C16H27N2O2- 2 279.2078 -1.58
+  282.1133 C17H16NO3- 2 282.1136 -1.1
+  283.117 C12H17N3O5- 1 283.1174 -1.36
+  313.1553 C18H21N2O3- 2 313.1558 -1.59
+  320.198 C17H26N3O3- 2 320.198 0.11
+  326.1039 C18H16NO5- 2 326.1034 1.51
+  328.2605 C17H34N3O3- 2 328.2606 -0.06
+  357.1456 C19H21N2O5- 2 357.1456 0.08
+  768.4555 C41H62N5O9- 1 768.4553 0.25
+PK$NUM_PEAK: 49
+PK$PEAK: m/z int. rel.int.
+  85.0407 183687.7 11
+  87.0564 245585 15
+  88.0404 458425.1 29
+  93.0346 956840.1 62
+  94.0664 154745.9 10
+  100.0039 523843.2 34
+  106.0423 259078.7 16
+  107.0503 634630.6 41
+  112.077 220117.6 14
+  113.0354 369801.6 24
+  119.0502 4190691.2 272
+  126.0559 1841621.9 119
+  127.0513 214812 13
+  129.1032 1794774.2 116
+  130.0871 706581.4 45
+  134.061 3505940.8 228
+  136.0764 453791.7 29
+  138.0558 1252707.9 81
+  140.071 547371.8 35
+  143.1187 5289810 344
+  145.0291 1067318.9 69
+  146.0608 287692.1 18
+  147.0448 1809939.8 117
+  155.082 319330.8 20
+  156.0661 964659.9 62
+  157.098 316276.1 20
+  162.0553 1112135.2 72
+  163.0396 3102843.5 201
+  169.0977 680967.1 44
+  174.0554 348533.6 22
+  180.066 15345691 999
+  183.1131 619351.9 40
+  185.1652 232237.5 15
+  206.0455 892250.4 58
+  207.1134 3266881.8 212
+  211.1446 3183071.2 207
+  242.187 3320429.5 216
+  251.1034 2607710 169
+  253.2275 205405.8 13
+  256.2024 320336.7 20
+  279.2074 2118197.2 137
+  282.1133 12216840 795
+  283.117 235161.6 15
+  313.1553 760252.1 49
+  320.198 685317.9 44
+  326.1039 720895.8 46
+  328.2605 1420571.8 92
+  357.1456 5001763 325
+  768.4555 1312126.4 85
+//
diff --git a/Eawag/MSBNK-EAWAG-ED084756.txt b/Eawag/MSBNK-EAWAG-ED084756.txt
new file mode 100644
index 0000000000..78b973633a
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED084756.txt
@@ -0,0 +1,119 @@
+ACCESSION: MSBNK-EAWAG-ED084756
+RECORD_TITLE: Microginin 770; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1111/j.1574-6941.2012.01439.x
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 847
+CH$NAME: Microginin 770
+CH$NAME: (2-(2-(2-(2-hydroxy-3-(methylamino)decanamido)-3-methylbutanamido)-4-methylpentanamido)-4-(4-hydroxyphenyl)butanoyl)tyrosine
+CH$NAME: 2-[[2-[[2-[[2-[[2-hydroxy-3-(methylamino)decanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-4-(4-hydroxyphenyl)butanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C41H63N5O9
+CH$EXACT_MASS: 769.4625786
+CH$SMILES: O=C(NC(CC1=CC=C(O)C=C1)C(O)=O)C(CCC2=CC=C(O)C=C2)NC(C(CC(C)C)NC(C(C(C)C)NC(C(O)C(NC)CCCCCCC)=O)=O)=O
+CH$IUPAC: InChI=1S/C41H63N5O9/c1-7-8-9-10-11-12-31(42-6)36(49)40(53)46-35(26(4)5)39(52)44-33(23-25(2)3)38(51)43-32(22-17-27-13-18-29(47)19-14-27)37(50)45-34(41(54)55)24-28-15-20-30(48)21-16-28/h13-16,18-21,25-26,31-36,42,47-49H,7-12,17,22-24H2,1-6H3,(H,43,51)(H,44,52)(H,45,50)(H,46,53)(H,54,55)
+CH$LINK: PUBCHEM CID:146683730
+CH$LINK: INCHIKEY YSNCVQPXJAIHHN-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 80-805
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.189 min
+MS$FOCUSED_ION: BASE_PEAK 768.456
+MS$FOCUSED_ION: PRECURSOR_M/Z 768.4553
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-02al-0920000000-ef1895018c491b88db8b
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  85.0404 C3H5N2O- 1 85.0407 -3.69
+  87.0563 C3H7N2O- 1 87.0564 -1.01
+  88.0405 C3H6NO2- 1 88.0404 1.08
+  93.0345 C6H5O- 1 93.0346 -1.25
+  94.066 C6H8N- 1 94.0662 -2.18
+  99.0566 C4H7N2O- 1 99.0564 1.83
+  106.0423 C7H6O- 1 106.0424 -1.05
+  107.0504 C7H7O- 1 107.0502 1.28
+  112.0278 C4H4N2O2- 1 112.0278 -0.06
+  113.0355 C4H5N2O2- 1 113.0357 -1.54
+  119.0502 C8H7O- 1 119.0502 -0.51
+  126.056 C6H8NO2- 1 126.0561 -0.76
+  129.1032 C6H13N2O- 1 129.1033 -1.14
+  130.0873 C6H12NO2- 1 130.0874 -0.08
+  132.058 C9H8O- 1 132.0581 -0.17
+  133.0532 C8H7NO- 1 133.0533 -0.67
+  134.0609 C8H8NO- 1 134.0611 -1.65
+  136.0765 C8H10NO- 1 136.0768 -1.77
+  138.0558 C7H8NO2- 1 138.0561 -2.02
+  139.0874 C7H11N2O- 1 139.0877 -2.32
+  143.1186 C7H15N2O- 1 143.119 -2.39
+  145.0291 C9H5O2- 1 145.0295 -2.81
+  147.045 C9H7O2- 1 147.0452 -1.16
+  148.0767 C9H10NO- 1 148.0768 -0.86
+  156.0661 C7H10NO3- 1 156.0666 -3.22
+  157.0979 C7H13N2O2- 1 157.0983 -1.93
+  162.0554 C9H8NO2- 2 162.0561 -3.73
+  163.0394 C9H7O3- 2 163.0401 -4.1
+  168.0898 C8H12N2O2- 2 168.0904 -3.99
+  176.0711 C10H10NO2- 2 176.0717 -3.3
+  187.1081 C6H13N5O2- 2 187.1075 3.54
+  205.0979 C11H13N2O2- 2 205.0983 -1.6
+  207.1132 C11H15N2O2- 2 207.1139 -3.16
+  242.1869 C12H24N3O2- 1 242.1874 -2.04
+  250.1816 C15H24NO2- 1 250.1813 1.34
+  251.1033 C12H15N2O4- 2 251.1037 -1.89
+  282.1132 C17H16NO3- 2 282.1136 -1.32
+  313.1557 C18H21N2O3- 2 313.1558 -0.23
+PK$NUM_PEAK: 38
+PK$PEAK: m/z int. rel.int.
+  85.0404 381635.6 49
+  87.0563 908817.8 117
+  88.0405 288411 37
+  93.0345 1292915.6 166
+  94.066 337111.6 43
+  99.0566 279640.7 36
+  106.0423 436818.2 56
+  107.0504 861801.7 111
+  112.0278 155751.7 20
+  113.0355 504129.4 65
+  119.0502 7734276 999
+  126.056 726105 93
+  129.1032 3491924.5 451
+  130.0873 465114.9 60
+  132.058 317590.4 41
+  133.0532 208459.7 26
+  134.0609 3959065 511
+  136.0765 789869.4 102
+  138.0558 1177581.2 152
+  139.0874 603853.4 77
+  143.1186 5122682.5 661
+  145.0291 1235405.9 159
+  147.045 900848.6 116
+  148.0767 158863.4 20
+  156.0661 381240.5 49
+  157.0979 192167 24
+  162.0554 1595329.9 206
+  163.0394 3276065 423
+  168.0898 463547.8 59
+  176.0711 1038863.5 134
+  187.1081 683083.1 88
+  205.0979 979554.9 126
+  207.1132 2938064.8 379
+  242.1869 1560539.1 201
+  250.1816 254569.5 32
+  251.1033 914414.1 118
+  282.1132 4309629 556
+  313.1557 215313 27
+//
diff --git a/Eawag/MSBNK-EAWAG-ED084757.txt b/Eawag/MSBNK-EAWAG-ED084757.txt
new file mode 100644
index 0000000000..57bfbe94e4
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED084757.txt
@@ -0,0 +1,133 @@
+ACCESSION: MSBNK-EAWAG-ED084757
+RECORD_TITLE: Microginin 770; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1111/j.1574-6941.2012.01439.x
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 847
+CH$NAME: Microginin 770
+CH$NAME: (2-(2-(2-(2-hydroxy-3-(methylamino)decanamido)-3-methylbutanamido)-4-methylpentanamido)-4-(4-hydroxyphenyl)butanoyl)tyrosine
+CH$NAME: 2-[[2-[[2-[[2-[[2-hydroxy-3-(methylamino)decanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-4-(4-hydroxyphenyl)butanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C41H63N5O9
+CH$EXACT_MASS: 769.4625786
+CH$SMILES: O=C(NC(CC1=CC=C(O)C=C1)C(O)=O)C(CCC2=CC=C(O)C=C2)NC(C(CC(C)C)NC(C(C(C)C)NC(C(O)C(NC)CCCCCCC)=O)=O)=O
+CH$IUPAC: InChI=1S/C41H63N5O9/c1-7-8-9-10-11-12-31(42-6)36(49)40(53)46-35(26(4)5)39(52)44-33(23-25(2)3)38(51)43-32(22-17-27-13-18-29(47)19-14-27)37(50)45-34(41(54)55)24-28-15-20-30(48)21-16-28/h13-16,18-21,25-26,31-36,42,47-49H,7-12,17,22-24H2,1-6H3,(H,43,51)(H,44,52)(H,45,50)(H,46,53)(H,54,55)
+CH$LINK: PUBCHEM CID:146683730
+CH$LINK: INCHIKEY YSNCVQPXJAIHHN-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 80-805
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.189 min
+MS$FOCUSED_ION: BASE_PEAK 768.456
+MS$FOCUSED_ION: PRECURSOR_M/Z 768.4553
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-015c-1900000000-69c829d962bea76e0455
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  85.0407 C3H5N2O- 1 85.0407 -0.91
+  87.0564 C3H7N2O- 1 87.0564 0.21
+  88.0402 C3H6NO2- 1 88.0404 -2.64
+  93.0346 C6H5O- 1 93.0346 -0.35
+  94.0662 C6H8N- 1 94.0662 0.09
+  99.0564 C4H7N2O- 1 99.0564 0.29
+  100.0041 C3H2NO3- 1 100.004 1.14
+  101.0721 C4H9N2O- 1 101.072 0.83
+  106.0424 C7H6O- 1 106.0424 -0.18
+  107.0502 C7H7O- 1 107.0502 -0.65
+  112.0281 C4H4N2O2- 1 112.0278 2.8
+  112.0767 C6H10NO- 1 112.0768 -0.64
+  113.0356 C4H5N2O2- 1 113.0357 -0.6
+  114.0922 C6H12NO- 1 114.0924 -2.44
+  117.0346 C8H5O- 1 117.0346 -0.06
+  119.0502 C8H7O- 1 119.0502 -0.19
+  125.0356 C5H5N2O2- 1 125.0357 -0.3
+  126.0555 C6H8NO2- 1 126.0561 -4.08
+  127.051 C5H7N2O2- 1 127.0513 -2.11
+  129.1032 C6H13N2O- 1 129.1033 -0.79
+  130.0872 C6H12NO2- 1 130.0874 -0.91
+  132.0576 C9H8O- 1 132.0581 -3.18
+  133.053 C8H7NO- 1 133.0533 -2.39
+  134.0609 C8H8NO- 1 134.0611 -1.53
+  136.0767 C8H10NO- 1 136.0768 -0.87
+  138.0562 C7H8NO2- 1 138.0561 0.85
+  139.0509 C6H7N2O2- 1 139.0513 -2.81
+  139.0875 C7H11N2O- 1 139.0877 -1.33
+  141.103 C7H13N2O- 1 141.1033 -2.72
+  143.1187 C7H15N2O- 1 143.119 -2.28
+  145.029 C9H5O2- 1 145.0295 -3.23
+  145.0616 C5H9N2O3- 1 145.0619 -1.96
+  146.0608 C9H8NO- 1 146.0611 -2.39
+  148.0762 C9H10NO- 1 148.0768 -3.95
+  154.0742 C7H10N2O2- 2 154.0748 -3.98
+  162.0556 C9H8NO2- 1 162.0561 -2.7
+  163.0395 C9H7O3- 2 163.0401 -3.25
+  174.0555 C8H6N4O- 2 174.0547 4.56
+  176.0712 C10H10NO2- 2 176.0717 -3.13
+  180.066 C9H10NO3- 2 180.0666 -3.31
+  205.0976 C11H13N2O2- 2 205.0983 -3.16
+  207.1133 C11H15N2O2- 2 207.1139 -2.72
+  211.1446 C11H19N2O2- 2 211.1452 -2.87
+  242.1869 C12H24N3O2- 1 242.1874 -2.04
+  282.1136 C17H16NO3- 2 282.1136 0.2
+PK$NUM_PEAK: 45
+PK$PEAK: m/z int. rel.int.
+  85.0407 345230 36
+  87.0564 1597619 168
+  88.0402 269795.4 28
+  93.0346 1571219.4 165
+  94.0662 328630.4 34
+  99.0564 252162.8 26
+  100.0041 178559.2 18
+  101.0721 202905.7 21
+  106.0424 569680.1 60
+  107.0502 908427.1 95
+  112.0281 163431.2 17
+  112.0767 499503.2 52
+  113.0356 394664.9 41
+  114.0922 118135.4 12
+  117.0346 187443.2 19
+  119.0502 9470259 999
+  125.0356 289656.6 30
+  126.0555 195776 20
+  127.051 248867.4 26
+  129.1032 3621801.5 382
+  130.0872 363919.5 38
+  132.0576 395446 41
+  133.053 576952.3 60
+  134.0609 3517701.8 371
+  136.0767 829314.8 87
+  138.0562 446965.6 47
+  139.0509 209001.8 22
+  139.0875 416654.9 43
+  141.103 145436.8 15
+  143.1187 3567831.5 376
+  145.029 1031407.2 108
+  145.0616 197063.8 20
+  146.0608 264785.4 27
+  148.0762 138934.7 14
+  154.0742 383010.5 40
+  162.0556 1208312.2 127
+  163.0395 2673575.2 282
+  174.0555 404569.3 42
+  176.0712 429217.9 45
+  180.066 3213498.8 338
+  205.0976 268295.2 28
+  207.1133 1643544 173
+  211.1446 510165.2 53
+  242.1869 476037.3 50
+  282.1136 846767.8 89
+//
diff --git a/Eawag/MSBNK-EAWAG-ED084758.txt b/Eawag/MSBNK-EAWAG-ED084758.txt
new file mode 100644
index 0000000000..21ec2dd2c8
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED084758.txt
@@ -0,0 +1,101 @@
+ACCESSION: MSBNK-EAWAG-ED084758
+RECORD_TITLE: Microginin 770; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1111/j.1574-6941.2012.01439.x
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 847
+CH$NAME: Microginin 770
+CH$NAME: (2-(2-(2-(2-hydroxy-3-(methylamino)decanamido)-3-methylbutanamido)-4-methylpentanamido)-4-(4-hydroxyphenyl)butanoyl)tyrosine
+CH$NAME: 2-[[2-[[2-[[2-[[2-hydroxy-3-(methylamino)decanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-4-(4-hydroxyphenyl)butanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C41H63N5O9
+CH$EXACT_MASS: 769.4625786
+CH$SMILES: O=C(NC(CC1=CC=C(O)C=C1)C(O)=O)C(CCC2=CC=C(O)C=C2)NC(C(CC(C)C)NC(C(C(C)C)NC(C(O)C(NC)CCCCCCC)=O)=O)=O
+CH$IUPAC: InChI=1S/C41H63N5O9/c1-7-8-9-10-11-12-31(42-6)36(49)40(53)46-35(26(4)5)39(52)44-33(23-25(2)3)38(51)43-32(22-17-27-13-18-29(47)19-14-27)37(50)45-34(41(54)55)24-28-15-20-30(48)21-16-28/h13-16,18-21,25-26,31-36,42,47-49H,7-12,17,22-24H2,1-6H3,(H,43,51)(H,44,52)(H,45,50)(H,46,53)(H,54,55)
+CH$LINK: PUBCHEM CID:146683730
+CH$LINK: INCHIKEY YSNCVQPXJAIHHN-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 80-805
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.189 min
+MS$FOCUSED_ION: BASE_PEAK 768.456
+MS$FOCUSED_ION: PRECURSOR_M/Z 768.4553
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-014i-1900000000-e92794af2dccbcf38601
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  87.0563 C3H7N2O- 1 87.0564 -0.75
+  93.0346 C6H5O- 1 93.0346 -0.02
+  94.0662 C6H8N- 1 94.0662 -0.48
+  101.0722 C4H9N2O- 1 101.072 1.36
+  106.0423 C7H6O- 1 106.0424 -0.62
+  107.0502 C7H7O- 1 107.0502 -0.79
+  112.0278 C4H4N2O2- 1 112.0278 -0.2
+  112.0768 C6H10NO- 1 112.0768 -0.1
+  113.0357 C4H5N2O2- 1 113.0357 0.15
+  117.0346 C8H5O- 1 117.0346 0.14
+  119.0502 C8H7O- 1 119.0502 -0.12
+  125.0355 C5H5N2O2- 1 125.0357 -1.34
+  129.1032 C6H13N2O- 1 129.1033 -1.14
+  130.0874 C6H12NO2- 1 130.0874 0.27
+  132.0576 C9H8O- 1 132.0581 -3.52
+  133.0531 C8H7NO- 1 133.0533 -1.48
+  134.061 C8H8NO- 1 134.0611 -1.08
+  136.0768 C8H10NO- 1 136.0768 -0.2
+  143.1187 C7H15N2O- 1 143.119 -2.18
+  145.0291 C9H5O2- 1 145.0295 -2.91
+  148.0762 C9H10NO- 1 148.0768 -3.74
+  154.0742 C7H10N2O2- 1 154.0748 -3.58
+  162.0556 C9H8NO2- 1 162.0561 -2.88
+  163.0394 C9H7O3- 2 163.0401 -4.28
+  168.0898 C8H12N2O2- 2 168.0904 -3.53
+  174.0548 C8H6N4O- 1 174.0547 0.61
+  176.0711 C10H10NO2- 2 176.0717 -3.47
+  180.0663 C9H10NO3- 1 180.0666 -1.53
+  207.1133 C11H15N2O2- 2 207.1139 -2.79
+PK$NUM_PEAK: 29
+PK$PEAK: m/z int. rel.int.
+  87.0563 1641041.6 169
+  93.0346 1424897.4 147
+  94.0662 239117.1 24
+  101.0722 122253.3 12
+  106.0423 431911 44
+  107.0502 844224.5 87
+  112.0278 156177.5 16
+  112.0768 328561.3 33
+  113.0357 255948 26
+  117.0346 462464.5 47
+  119.0502 9655422 999
+  125.0355 445262.3 46
+  129.1032 2720271.2 281
+  130.0874 241840.1 25
+  132.0576 447083.9 46
+  133.0531 725393.4 75
+  134.061 2757575.5 285
+  136.0768 689963.3 71
+  143.1187 2018036 208
+  145.0291 666040.4 68
+  148.0762 99673.2 10
+  154.0742 244490.6 25
+  162.0556 610859.8 63
+  163.0394 1573677.2 162
+  168.0898 411983.6 42
+  174.0548 332200.7 34
+  176.0711 150195 15
+  180.0663 1004917.4 103
+  207.1133 475056.3 49
+//
diff --git a/Eawag/MSBNK-EAWAG-ED084759.txt b/Eawag/MSBNK-EAWAG-ED084759.txt
new file mode 100644
index 0000000000..dff7ae8c4b
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED084759.txt
@@ -0,0 +1,95 @@
+ACCESSION: MSBNK-EAWAG-ED084759
+RECORD_TITLE: Microginin 770; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1111/j.1574-6941.2012.01439.x
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 847
+CH$NAME: Microginin 770
+CH$NAME: (2-(2-(2-(2-hydroxy-3-(methylamino)decanamido)-3-methylbutanamido)-4-methylpentanamido)-4-(4-hydroxyphenyl)butanoyl)tyrosine
+CH$NAME: 2-[[2-[[2-[[2-[[2-hydroxy-3-(methylamino)decanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-4-(4-hydroxyphenyl)butanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C41H63N5O9
+CH$EXACT_MASS: 769.4625786
+CH$SMILES: O=C(NC(CC1=CC=C(O)C=C1)C(O)=O)C(CCC2=CC=C(O)C=C2)NC(C(CC(C)C)NC(C(C(C)C)NC(C(O)C(NC)CCCCCCC)=O)=O)=O
+CH$IUPAC: InChI=1S/C41H63N5O9/c1-7-8-9-10-11-12-31(42-6)36(49)40(53)46-35(26(4)5)39(52)44-33(23-25(2)3)38(51)43-32(22-17-27-13-18-29(47)19-14-27)37(50)45-34(41(54)55)24-28-15-20-30(48)21-16-28/h13-16,18-21,25-26,31-36,42,47-49H,7-12,17,22-24H2,1-6H3,(H,43,51)(H,44,52)(H,45,50)(H,46,53)(H,54,55)
+CH$LINK: PUBCHEM CID:146683730
+CH$LINK: INCHIKEY YSNCVQPXJAIHHN-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 80-805
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.189 min
+MS$FOCUSED_ION: BASE_PEAK 768.456
+MS$FOCUSED_ION: PRECURSOR_M/Z 768.4553
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-014i-1900000000-7b8e1631958144df9982
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  85.0408 C3H5N2O- 1 85.0407 1.06
+  87.0563 C3H7N2O- 1 87.0564 -0.49
+  93.0345 C6H5O- 1 93.0346 -1.17
+  106.0422 C7H6O- 1 106.0424 -1.91
+  107.0501 C7H7O- 1 107.0502 -1.22
+  112.0279 C4H4N2O2- 1 112.0278 0.35
+  113.0355 C4H5N2O2- 1 113.0357 -1.41
+  117.0345 C8H5O- 1 117.0346 -0.71
+  119.0502 C8H7O- 1 119.0502 -0.51
+  125.0355 C5H5N2O2- 1 125.0357 -1.22
+  129.1032 C6H13N2O- 1 129.1033 -1.38
+  130.0871 C6H12NO2- 1 130.0874 -2.31
+  132.0578 C9H8O- 1 132.0581 -1.91
+  133.0531 C8H7NO- 1 133.0533 -1.25
+  134.0609 C8H8NO- 1 134.0611 -1.42
+  136.0766 C8H10NO- 1 136.0768 -1.54
+  138.056 C7H8NO2- 1 138.0561 -0.36
+  139.0511 C6H7N2O2- 1 139.0513 -1.16
+  143.1187 C7H15N2O- 1 143.119 -2.07
+  145.0296 C9H5O2- 1 145.0295 0.35
+  146.0608 C9H8NO- 1 146.0611 -2.59
+  162.0554 C9H8NO2- 2 162.0561 -3.92
+  163.0393 C9H7O3- 2 163.0401 -4.66
+  168.0895 C6H10N5O- 1 168.0891 2.37
+  174.0554 C8H6N4O- 2 174.0547 3.77
+  180.0655 C7H8N4O2- 1 180.0653 1.52
+PK$NUM_PEAK: 26
+PK$PEAK: m/z int. rel.int.
+  85.0408 255418.2 30
+  87.0563 1219896.8 144
+  93.0345 1407943.5 166
+  106.0422 554234.2 65
+  107.0501 603589.6 71
+  112.0279 262262 30
+  113.0355 218504 25
+  117.0345 671323.7 79
+  119.0502 8454409 999
+  125.0355 453210.2 53
+  129.1032 1697271.2 200
+  130.0871 138596.7 16
+  132.0578 358428.5 42
+  133.0531 1063622 125
+  134.0609 2100241.2 248
+  136.0766 330006.6 38
+  138.056 87973.4 10
+  139.0511 463516.2 54
+  143.1187 814944.2 96
+  145.0296 389637.4 46
+  146.0608 208100.5 24
+  162.0554 222796.4 26
+  163.0393 754870.3 89
+  168.0895 167513.2 19
+  174.0554 281429.6 33
+  180.0655 279782.8 33
+//
diff --git a/Eawag/MSBNK-EAWAG-ED085701.txt b/Eawag/MSBNK-EAWAG-ED085701.txt
new file mode 100644
index 0000000000..978ce0ec8f
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED085701.txt
@@ -0,0 +1,50 @@
+ACCESSION: MSBNK-EAWAG-ED085701
+RECORD_TITLE: Microginin 767 (and isomers); LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], A. Miglione [dtc], L. Tartaglione [dtc], F. Varriale [dtc], C. Dell'Aversano [dtc], S.K. Zervou [dtc], T. M. Triantis [dtc], T. Kaloudis [dtc], A. Hiskia [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.chemosphere.2022.137012
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 857
+CH$NAME: Microginin 767 (and isomers)
+CH$NAME: 2-[[1-[2-[[2-[[2-hydroxy-3-(methylamino)decanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]-methylamino]-3-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C41H61N5O9
+CH$EXACT_MASS: 767.4469285
+CH$SMILES: OC(C(NC(C(N(C(C(N1C(C(NC(CC2=CC=C(O)C=C2)C(O)=O)=O)CCC1)=O)C(CC)C)C)=O)CC3=CC=C(O)C=C3)=O)C(NC)CCCCCCC
+CH$IUPAC: InChI=1S/C41H61N5O9/c1-6-8-9-10-11-13-31(42-4)36(49)38(51)43-32(24-27-15-19-29(47)20-16-27)39(52)45(5)35(26(3)7-2)40(53)46-23-12-14-34(46)37(50)44-33(41(54)55)25-28-17-21-30(48)22-18-28/h15-22,26,31-36,42,47-49H,6-14,23-25H2,1-5H3,(H,43,51)(H,44,50)(H,54,55)
+CH$LINK: PUBCHEM CID:146683918
+CH$LINK: INCHIKEY IFMJJUPZIKGJIU-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 80-805
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.307 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 768.4542
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00kf-0000900800-f993d1d6ab2e99f4f2d5
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  345.2169 C20H29N2O3+ 2 345.2173 -0.93
+  349.1747 C18H25N2O5+ 3 349.1758 -3.28
+  490.3271 C27H44N3O5+ 3 490.3275 -0.88
+  768.4541 C41H62N5O9+ 1 768.4542 -0.13
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  345.2169 13824.4 15
+  349.1747 17354.1 19
+  490.3271 866894.9 999
+  768.4541 799337.9 921
+//
diff --git a/Eawag/MSBNK-EAWAG-ED085702.txt b/Eawag/MSBNK-EAWAG-ED085702.txt
new file mode 100644
index 0000000000..3e7bffc175
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED085702.txt
@@ -0,0 +1,52 @@
+ACCESSION: MSBNK-EAWAG-ED085702
+RECORD_TITLE: Microginin 767 (and isomers); LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], A. Miglione [dtc], L. Tartaglione [dtc], F. Varriale [dtc], C. Dell'Aversano [dtc], S.K. Zervou [dtc], T. M. Triantis [dtc], T. Kaloudis [dtc], A. Hiskia [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.chemosphere.2022.137012
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 857
+CH$NAME: Microginin 767 (and isomers)
+CH$NAME: 2-[[1-[2-[[2-[[2-hydroxy-3-(methylamino)decanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]-methylamino]-3-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C41H61N5O9
+CH$EXACT_MASS: 767.4469285
+CH$SMILES: OC(C(NC(C(N(C(C(N1C(C(NC(CC2=CC=C(O)C=C2)C(O)=O)=O)CCC1)=O)C(CC)C)C)=O)CC3=CC=C(O)C=C3)=O)C(NC)CCCCCCC
+CH$IUPAC: InChI=1S/C41H61N5O9/c1-6-8-9-10-11-13-31(42-4)36(49)38(51)43-32(24-27-15-19-29(47)20-16-27)39(52)45(5)35(26(3)7-2)40(53)46-23-12-14-34(46)37(50)44-33(41(54)55)25-28-17-21-30(48)22-18-28/h15-22,26,31-36,42,47-49H,6-14,23-25H2,1-5H3,(H,43,51)(H,44,50)(H,54,55)
+CH$LINK: PUBCHEM CID:146683918
+CH$LINK: INCHIKEY IFMJJUPZIKGJIU-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 80-805
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.307 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 768.4542
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0006-0001900000-23bd887b58427c73f1fc
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  182.1538 C11H20NO+ 1 182.1539 -0.7
+  345.2173 C20H29N2O3+ 2 345.2173 -0.05
+  349.1757 C18H25N2O5+ 2 349.1758 -0.4
+  490.3273 C27H44N3O5+ 2 490.3275 -0.44
+  768.4558 C41H62N5O9+ 1 768.4542 2.1
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  182.1538 58775.6 56
+  345.2173 123605.3 117
+  349.1757 99877.1 95
+  490.3273 1047965.3 999
+  768.4558 91104.3 86
+//
diff --git a/Eawag/MSBNK-EAWAG-ED085703.txt b/Eawag/MSBNK-EAWAG-ED085703.txt
new file mode 100644
index 0000000000..1151907fd9
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED085703.txt
@@ -0,0 +1,56 @@
+ACCESSION: MSBNK-EAWAG-ED085703
+RECORD_TITLE: Microginin 767 (and isomers); LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], A. Miglione [dtc], L. Tartaglione [dtc], F. Varriale [dtc], C. Dell'Aversano [dtc], S.K. Zervou [dtc], T. M. Triantis [dtc], T. Kaloudis [dtc], A. Hiskia [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.chemosphere.2022.137012
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 857
+CH$NAME: Microginin 767 (and isomers)
+CH$NAME: 2-[[1-[2-[[2-[[2-hydroxy-3-(methylamino)decanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]-methylamino]-3-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C41H61N5O9
+CH$EXACT_MASS: 767.4469285
+CH$SMILES: OC(C(NC(C(N(C(C(N1C(C(NC(CC2=CC=C(O)C=C2)C(O)=O)=O)CCC1)=O)C(CC)C)C)=O)CC3=CC=C(O)C=C3)=O)C(NC)CCCCCCC
+CH$IUPAC: InChI=1S/C41H61N5O9/c1-6-8-9-10-11-13-31(42-4)36(49)38(51)43-32(24-27-15-19-29(47)20-16-27)39(52)45(5)35(26(3)7-2)40(53)46-23-12-14-34(46)37(50)44-33(41(54)55)25-28-17-21-30(48)22-18-28/h15-22,26,31-36,42,47-49H,6-14,23-25H2,1-5H3,(H,43,51)(H,44,50)(H,54,55)
+CH$LINK: PUBCHEM CID:146683918
+CH$LINK: INCHIKEY IFMJJUPZIKGJIU-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 80-805
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.307 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 768.4542
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0007-0807900000-e3410aa90d8af94b9170
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  100.112 C6H14N+ 1 100.1121 -0.33
+  142.1592 C9H20N+ 1 142.159 1.28
+  154.1589 C10H20N+ 1 154.159 -0.54
+  182.1534 C11H20NO+ 2 182.1539 -2.88
+  345.2168 C20H29N2O3+ 2 345.2173 -1.46
+  349.1752 C18H25N2O5+ 2 349.1758 -1.62
+  490.3272 C27H44N3O5+ 3 490.3275 -0.69
+PK$NUM_PEAK: 7
+PK$PEAK: m/z int. rel.int.
+  100.112 69421.7 141
+  142.1592 101304.5 205
+  154.1589 42653.9 86
+  182.1534 231580.5 470
+  345.2168 256664.8 521
+  349.1752 171408.5 348
+  490.3272 491299.3 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED085704.txt b/Eawag/MSBNK-EAWAG-ED085704.txt
new file mode 100644
index 0000000000..92043faf38
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED085704.txt
@@ -0,0 +1,58 @@
+ACCESSION: MSBNK-EAWAG-ED085704
+RECORD_TITLE: Microginin 767 (and isomers); LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], A. Miglione [dtc], L. Tartaglione [dtc], F. Varriale [dtc], C. Dell'Aversano [dtc], S.K. Zervou [dtc], T. M. Triantis [dtc], T. Kaloudis [dtc], A. Hiskia [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.chemosphere.2022.137012
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 857
+CH$NAME: Microginin 767 (and isomers)
+CH$NAME: 2-[[1-[2-[[2-[[2-hydroxy-3-(methylamino)decanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]-methylamino]-3-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C41H61N5O9
+CH$EXACT_MASS: 767.4469285
+CH$SMILES: OC(C(NC(C(N(C(C(N1C(C(NC(CC2=CC=C(O)C=C2)C(O)=O)=O)CCC1)=O)C(CC)C)C)=O)CC3=CC=C(O)C=C3)=O)C(NC)CCCCCCC
+CH$IUPAC: InChI=1S/C41H61N5O9/c1-6-8-9-10-11-13-31(42-4)36(49)38(51)43-32(24-27-15-19-29(47)20-16-27)39(52)45(5)35(26(3)7-2)40(53)46-23-12-14-34(46)37(50)44-33(41(54)55)25-28-17-21-30(48)22-18-28/h15-22,26,31-36,42,47-49H,6-14,23-25H2,1-5H3,(H,43,51)(H,44,50)(H,54,55)
+CH$LINK: PUBCHEM CID:146683918
+CH$LINK: INCHIKEY IFMJJUPZIKGJIU-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 80-805
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.307 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 768.4542
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0f8d-0903100000-00bd4382409d2c62ad36
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  100.1121 C6H14N+ 1 100.1121 0.13
+  142.1589 C9H20N+ 1 142.159 -0.65
+  146.1177 C7H16NO2+ 1 146.1176 0.94
+  154.1589 C10H20N+ 1 154.159 -0.73
+  182.1534 C11H20NO+ 2 182.1539 -3.22
+  345.2172 C20H29N2O3+ 2 345.2173 -0.23
+  349.1755 C18H25N2O5+ 2 349.1758 -0.84
+  490.3273 C27H44N3O5+ 2 490.3275 -0.44
+PK$NUM_PEAK: 8
+PK$PEAK: m/z int. rel.int.
+  100.1121 172004.3 497
+  142.1589 194466.3 562
+  146.1177 26357.9 76
+  154.1589 78478.7 227
+  182.1534 345232.7 999
+  345.2172 192174.8 556
+  349.1755 106264.8 307
+  490.3273 103768.1 300
+//
diff --git a/Eawag/MSBNK-EAWAG-ED085705.txt b/Eawag/MSBNK-EAWAG-ED085705.txt
new file mode 100644
index 0000000000..0ed4f793a9
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED085705.txt
@@ -0,0 +1,56 @@
+ACCESSION: MSBNK-EAWAG-ED085705
+RECORD_TITLE: Microginin 767 (and isomers); LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], A. Miglione [dtc], L. Tartaglione [dtc], F. Varriale [dtc], C. Dell'Aversano [dtc], S.K. Zervou [dtc], T. M. Triantis [dtc], T. Kaloudis [dtc], A. Hiskia [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.chemosphere.2022.137012
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 857
+CH$NAME: Microginin 767 (and isomers)
+CH$NAME: 2-[[1-[2-[[2-[[2-hydroxy-3-(methylamino)decanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]-methylamino]-3-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C41H61N5O9
+CH$EXACT_MASS: 767.4469285
+CH$SMILES: OC(C(NC(C(N(C(C(N1C(C(NC(CC2=CC=C(O)C=C2)C(O)=O)=O)CCC1)=O)C(CC)C)C)=O)CC3=CC=C(O)C=C3)=O)C(NC)CCCCCCC
+CH$IUPAC: InChI=1S/C41H61N5O9/c1-6-8-9-10-11-13-31(42-4)36(49)38(51)43-32(24-27-15-19-29(47)20-16-27)39(52)45(5)35(26(3)7-2)40(53)46-23-12-14-34(46)37(50)44-33(41(54)55)25-28-17-21-30(48)22-18-28/h15-22,26,31-36,42,47-49H,6-14,23-25H2,1-5H3,(H,43,51)(H,44,50)(H,54,55)
+CH$LINK: PUBCHEM CID:146683918
+CH$LINK: INCHIKEY IFMJJUPZIKGJIU-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 80-805
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.307 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 768.4542
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0uec-0900000000-b89da72210772db6d6f3
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  100.1121 C6H14N+ 1 100.1121 -0.25
+  142.1589 C9H20N+ 1 142.159 -1.08
+  146.1177 C7H16NO2+ 1 146.1176 0.73
+  154.1587 C10H20N+ 1 154.159 -1.82
+  172.1692 C10H22NO+ 1 172.1696 -2.38
+  182.1534 C11H20NO+ 2 182.1539 -3.13
+  345.2172 C20H29N2O3+ 2 345.2173 -0.31
+PK$NUM_PEAK: 7
+PK$PEAK: m/z int. rel.int.
+  100.1121 236067.7 689
+  142.1589 300960.4 879
+  146.1177 30297.7 88
+  154.1587 112617.5 328
+  172.1692 22661.4 66
+  182.1534 341963.6 999
+  345.2172 18903.4 55
+//
diff --git a/Eawag/MSBNK-EAWAG-ED085706.txt b/Eawag/MSBNK-EAWAG-ED085706.txt
new file mode 100644
index 0000000000..233d590abb
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED085706.txt
@@ -0,0 +1,56 @@
+ACCESSION: MSBNK-EAWAG-ED085706
+RECORD_TITLE: Microginin 767 (and isomers); LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], A. Miglione [dtc], L. Tartaglione [dtc], F. Varriale [dtc], C. Dell'Aversano [dtc], S.K. Zervou [dtc], T. M. Triantis [dtc], T. Kaloudis [dtc], A. Hiskia [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.chemosphere.2022.137012
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 857
+CH$NAME: Microginin 767 (and isomers)
+CH$NAME: 2-[[1-[2-[[2-[[2-hydroxy-3-(methylamino)decanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]-methylamino]-3-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C41H61N5O9
+CH$EXACT_MASS: 767.4469285
+CH$SMILES: OC(C(NC(C(N(C(C(N1C(C(NC(CC2=CC=C(O)C=C2)C(O)=O)=O)CCC1)=O)C(CC)C)C)=O)CC3=CC=C(O)C=C3)=O)C(NC)CCCCCCC
+CH$IUPAC: InChI=1S/C41H61N5O9/c1-6-8-9-10-11-13-31(42-4)36(49)38(51)43-32(24-27-15-19-29(47)20-16-27)39(52)45(5)35(26(3)7-2)40(53)46-23-12-14-34(46)37(50)44-33(41(54)55)25-28-17-21-30(48)22-18-28/h15-22,26,31-36,42,47-49H,6-14,23-25H2,1-5H3,(H,43,51)(H,44,50)(H,54,55)
+CH$LINK: PUBCHEM CID:146683918
+CH$LINK: INCHIKEY IFMJJUPZIKGJIU-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 80-805
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.307 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 768.4542
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0f6x-0900000000-6e94fd04820178d8323b
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  100.1121 C6H14N+ 1 100.1121 0.21
+  136.0758 C8H10NO+ 1 136.0757 0.88
+  142.1589 C9H20N+ 1 142.159 -0.87
+  154.1588 C10H20N+ 1 154.159 -1.43
+  172.1693 C10H22NO+ 1 172.1696 -1.49
+  182.1534 C11H20NO+ 2 182.1539 -2.71
+  194.0812 C10H12NO3+ 1 194.0812 0.06
+PK$NUM_PEAK: 7
+PK$PEAK: m/z int. rel.int.
+  100.1121 226944.9 564
+  136.0758 25010.5 62
+  142.1589 401939.1 999
+  154.1588 92454.5 229
+  172.1693 15214.4 37
+  182.1534 183215.2 455
+  194.0812 27846.2 69
+//
diff --git a/Eawag/MSBNK-EAWAG-ED085707.txt b/Eawag/MSBNK-EAWAG-ED085707.txt
new file mode 100644
index 0000000000..b81afb6f10
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED085707.txt
@@ -0,0 +1,50 @@
+ACCESSION: MSBNK-EAWAG-ED085707
+RECORD_TITLE: Microginin 767 (and isomers); LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], A. Miglione [dtc], L. Tartaglione [dtc], F. Varriale [dtc], C. Dell'Aversano [dtc], S.K. Zervou [dtc], T. M. Triantis [dtc], T. Kaloudis [dtc], A. Hiskia [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.chemosphere.2022.137012
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 857
+CH$NAME: Microginin 767 (and isomers)
+CH$NAME: 2-[[1-[2-[[2-[[2-hydroxy-3-(methylamino)decanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]-methylamino]-3-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C41H61N5O9
+CH$EXACT_MASS: 767.4469285
+CH$SMILES: OC(C(NC(C(N(C(C(N1C(C(NC(CC2=CC=C(O)C=C2)C(O)=O)=O)CCC1)=O)C(CC)C)C)=O)CC3=CC=C(O)C=C3)=O)C(NC)CCCCCCC
+CH$IUPAC: InChI=1S/C41H61N5O9/c1-6-8-9-10-11-13-31(42-4)36(49)38(51)43-32(24-27-15-19-29(47)20-16-27)39(52)45(5)35(26(3)7-2)40(53)46-23-12-14-34(46)37(50)44-33(41(54)55)25-28-17-21-30(48)22-18-28/h15-22,26,31-36,42,47-49H,6-14,23-25H2,1-5H3,(H,43,51)(H,44,50)(H,54,55)
+CH$LINK: PUBCHEM CID:146683918
+CH$LINK: INCHIKEY IFMJJUPZIKGJIU-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 80-805
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.307 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 768.4542
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0006-0900000000-9d724011211499da9775
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  100.1121 C6H14N+ 1 100.1121 0.59
+  136.0757 C8H10NO+ 1 136.0757 0.2
+  142.1589 C9H20N+ 1 142.159 -0.97
+  182.1534 C11H20NO+ 2 182.1539 -3.13
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  100.1121 185970.5 471
+  136.0757 44537.8 113
+  142.1589 393671.8 999
+  182.1534 64435.7 163
+//
diff --git a/Eawag/MSBNK-EAWAG-ED085708.txt b/Eawag/MSBNK-EAWAG-ED085708.txt
new file mode 100644
index 0000000000..f81a92445f
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED085708.txt
@@ -0,0 +1,48 @@
+ACCESSION: MSBNK-EAWAG-ED085708
+RECORD_TITLE: Microginin 767 (and isomers); LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], A. Miglione [dtc], L. Tartaglione [dtc], F. Varriale [dtc], C. Dell'Aversano [dtc], S.K. Zervou [dtc], T. M. Triantis [dtc], T. Kaloudis [dtc], A. Hiskia [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.chemosphere.2022.137012
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 857
+CH$NAME: Microginin 767 (and isomers)
+CH$NAME: 2-[[1-[2-[[2-[[2-hydroxy-3-(methylamino)decanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]-methylamino]-3-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C41H61N5O9
+CH$EXACT_MASS: 767.4469285
+CH$SMILES: OC(C(NC(C(N(C(C(N1C(C(NC(CC2=CC=C(O)C=C2)C(O)=O)=O)CCC1)=O)C(CC)C)C)=O)CC3=CC=C(O)C=C3)=O)C(NC)CCCCCCC
+CH$IUPAC: InChI=1S/C41H61N5O9/c1-6-8-9-10-11-13-31(42-4)36(49)38(51)43-32(24-27-15-19-29(47)20-16-27)39(52)45(5)35(26(3)7-2)40(53)46-23-12-14-34(46)37(50)44-33(41(54)55)25-28-17-21-30(48)22-18-28/h15-22,26,31-36,42,47-49H,6-14,23-25H2,1-5H3,(H,43,51)(H,44,50)(H,54,55)
+CH$LINK: PUBCHEM CID:146683918
+CH$LINK: INCHIKEY IFMJJUPZIKGJIU-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 80-805
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.307 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 768.4542
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0f6x-0900000000-dd22c8058e00dae35ab2
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  100.112 C6H14N+ 1 100.1121 -0.48
+  136.0755 C8H10NO+ 1 136.0757 -1.59
+  142.1588 C9H20N+ 1 142.159 -1.3
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  100.112 153763.6 503
+  136.0755 45322.7 148
+  142.1588 305234.6 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED085709.txt b/Eawag/MSBNK-EAWAG-ED085709.txt
new file mode 100644
index 0000000000..937f97b68c
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED085709.txt
@@ -0,0 +1,48 @@
+ACCESSION: MSBNK-EAWAG-ED085709
+RECORD_TITLE: Microginin 767 (and isomers); LC-ESI-QFT; MS2; CE: 80%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], A. Miglione [dtc], L. Tartaglione [dtc], F. Varriale [dtc], C. Dell'Aversano [dtc], S.K. Zervou [dtc], T. M. Triantis [dtc], T. Kaloudis [dtc], A. Hiskia [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.chemosphere.2022.137012
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 857
+CH$NAME: Microginin 767 (and isomers)
+CH$NAME: 2-[[1-[2-[[2-[[2-hydroxy-3-(methylamino)decanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]-methylamino]-3-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C41H61N5O9
+CH$EXACT_MASS: 767.4469285
+CH$SMILES: OC(C(NC(C(N(C(C(N1C(C(NC(CC2=CC=C(O)C=C2)C(O)=O)=O)CCC1)=O)C(CC)C)C)=O)CC3=CC=C(O)C=C3)=O)C(NC)CCCCCCC
+CH$IUPAC: InChI=1S/C41H61N5O9/c1-6-8-9-10-11-13-31(42-4)36(49)38(51)43-32(24-27-15-19-29(47)20-16-27)39(52)45(5)35(26(3)7-2)40(53)46-23-12-14-34(46)37(50)44-33(41(54)55)25-28-17-21-30(48)22-18-28/h15-22,26,31-36,42,47-49H,6-14,23-25H2,1-5H3,(H,43,51)(H,44,50)(H,54,55)
+CH$LINK: PUBCHEM CID:146683918
+CH$LINK: INCHIKEY IFMJJUPZIKGJIU-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 80-805
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.307 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 768.4542
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0f6x-0900000000-390dd1a6d670e77fc144
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  100.112 C6H14N+ 1 100.1121 -0.93
+  136.0755 C8H10NO+ 1 136.0757 -1.59
+  142.1589 C9H20N+ 1 142.159 -1.19
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  100.112 101953.4 549
+  136.0755 48447 261
+  142.1589 185350.5 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED085751.txt b/Eawag/MSBNK-EAWAG-ED085751.txt
new file mode 100644
index 0000000000..f93d4b8549
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED085751.txt
@@ -0,0 +1,44 @@
+ACCESSION: MSBNK-EAWAG-ED085751
+RECORD_TITLE: Microginin 767 (and isomers); LC-ESI-QFT; MS2; CE: 15%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], A. Miglione [dtc], L. Tartaglione [dtc], F. Varriale [dtc], C. Dell'Aversano [dtc], S.K. Zervou [dtc], T. M. Triantis [dtc], T. Kaloudis [dtc], A. Hiskia [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.chemosphere.2022.137012
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 857
+CH$NAME: Microginin 767 (and isomers)
+CH$NAME: 2-[[1-[2-[[2-[[2-hydroxy-3-(methylamino)decanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]-methylamino]-3-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C41H61N5O9
+CH$EXACT_MASS: 767.4469285
+CH$SMILES: OC(C(NC(C(N(C(C(N1C(C(NC(CC2=CC=C(O)C=C2)C(O)=O)=O)CCC1)=O)C(CC)C)C)=O)CC3=CC=C(O)C=C3)=O)C(NC)CCCCCCC
+CH$IUPAC: InChI=1S/C41H61N5O9/c1-6-8-9-10-11-13-31(42-4)36(49)38(51)43-32(24-27-15-19-29(47)20-16-27)39(52)45(5)35(26(3)7-2)40(53)46-23-12-14-34(46)37(50)44-33(41(54)55)25-28-17-21-30(48)22-18-28/h15-22,26,31-36,42,47-49H,6-14,23-25H2,1-5H3,(H,43,51)(H,44,50)(H,54,55)
+CH$LINK: PUBCHEM CID:146683918
+CH$LINK: INCHIKEY IFMJJUPZIKGJIU-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 80-803
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.264 min
+MS$FOCUSED_ION: BASE_PEAK 146.9382
+MS$FOCUSED_ION: PRECURSOR_M/Z 766.4397
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-014i-0000000900-71c3a35b3fd4941ca945
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  766.4404 C41H60N5O9- 1 766.4397 1.01
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  766.4404 573504.2 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED085752.txt b/Eawag/MSBNK-EAWAG-ED085752.txt
new file mode 100644
index 0000000000..6b1f938dae
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED085752.txt
@@ -0,0 +1,44 @@
+ACCESSION: MSBNK-EAWAG-ED085752
+RECORD_TITLE: Microginin 767 (and isomers); LC-ESI-QFT; MS2; CE: 20%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], A. Miglione [dtc], L. Tartaglione [dtc], F. Varriale [dtc], C. Dell'Aversano [dtc], S.K. Zervou [dtc], T. M. Triantis [dtc], T. Kaloudis [dtc], A. Hiskia [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.chemosphere.2022.137012
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 857
+CH$NAME: Microginin 767 (and isomers)
+CH$NAME: 2-[[1-[2-[[2-[[2-hydroxy-3-(methylamino)decanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]-methylamino]-3-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C41H61N5O9
+CH$EXACT_MASS: 767.4469285
+CH$SMILES: OC(C(NC(C(N(C(C(N1C(C(NC(CC2=CC=C(O)C=C2)C(O)=O)=O)CCC1)=O)C(CC)C)C)=O)CC3=CC=C(O)C=C3)=O)C(NC)CCCCCCC
+CH$IUPAC: InChI=1S/C41H61N5O9/c1-6-8-9-10-11-13-31(42-4)36(49)38(51)43-32(24-27-15-19-29(47)20-16-27)39(52)45(5)35(26(3)7-2)40(53)46-23-12-14-34(46)37(50)44-33(41(54)55)25-28-17-21-30(48)22-18-28/h15-22,26,31-36,42,47-49H,6-14,23-25H2,1-5H3,(H,43,51)(H,44,50)(H,54,55)
+CH$LINK: PUBCHEM CID:146683918
+CH$LINK: INCHIKEY IFMJJUPZIKGJIU-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 80-803
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.264 min
+MS$FOCUSED_ION: BASE_PEAK 146.9382
+MS$FOCUSED_ION: PRECURSOR_M/Z 766.4397
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-014i-0000000900-be900790e7013a058e6b
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  766.4403 C41H60N5O9- 1 766.4397 0.85
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  766.4403 521190.6 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED085753.txt b/Eawag/MSBNK-EAWAG-ED085753.txt
new file mode 100644
index 0000000000..fad403edc4
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED085753.txt
@@ -0,0 +1,44 @@
+ACCESSION: MSBNK-EAWAG-ED085753
+RECORD_TITLE: Microginin 767 (and isomers); LC-ESI-QFT; MS2; CE: 25%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], A. Miglione [dtc], L. Tartaglione [dtc], F. Varriale [dtc], C. Dell'Aversano [dtc], S.K. Zervou [dtc], T. M. Triantis [dtc], T. Kaloudis [dtc], A. Hiskia [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.chemosphere.2022.137012
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 857
+CH$NAME: Microginin 767 (and isomers)
+CH$NAME: 2-[[1-[2-[[2-[[2-hydroxy-3-(methylamino)decanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]-methylamino]-3-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C41H61N5O9
+CH$EXACT_MASS: 767.4469285
+CH$SMILES: OC(C(NC(C(N(C(C(N1C(C(NC(CC2=CC=C(O)C=C2)C(O)=O)=O)CCC1)=O)C(CC)C)C)=O)CC3=CC=C(O)C=C3)=O)C(NC)CCCCCCC
+CH$IUPAC: InChI=1S/C41H61N5O9/c1-6-8-9-10-11-13-31(42-4)36(49)38(51)43-32(24-27-15-19-29(47)20-16-27)39(52)45(5)35(26(3)7-2)40(53)46-23-12-14-34(46)37(50)44-33(41(54)55)25-28-17-21-30(48)22-18-28/h15-22,26,31-36,42,47-49H,6-14,23-25H2,1-5H3,(H,43,51)(H,44,50)(H,54,55)
+CH$LINK: PUBCHEM CID:146683918
+CH$LINK: INCHIKEY IFMJJUPZIKGJIU-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 80-803
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.264 min
+MS$FOCUSED_ION: BASE_PEAK 146.9382
+MS$FOCUSED_ION: PRECURSOR_M/Z 766.4397
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-014i-0000000900-5a808ba7af5e73004673
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  766.4397 C41H60N5O9- 1 766.4397 0.05
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  766.4397 433516.3 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED085754.txt b/Eawag/MSBNK-EAWAG-ED085754.txt
new file mode 100644
index 0000000000..611f70c963
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED085754.txt
@@ -0,0 +1,46 @@
+ACCESSION: MSBNK-EAWAG-ED085754
+RECORD_TITLE: Microginin 767 (and isomers); LC-ESI-QFT; MS2; CE: 30%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], A. Miglione [dtc], L. Tartaglione [dtc], F. Varriale [dtc], C. Dell'Aversano [dtc], S.K. Zervou [dtc], T. M. Triantis [dtc], T. Kaloudis [dtc], A. Hiskia [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.chemosphere.2022.137012
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 857
+CH$NAME: Microginin 767 (and isomers)
+CH$NAME: 2-[[1-[2-[[2-[[2-hydroxy-3-(methylamino)decanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]-methylamino]-3-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C41H61N5O9
+CH$EXACT_MASS: 767.4469285
+CH$SMILES: OC(C(NC(C(N(C(C(N1C(C(NC(CC2=CC=C(O)C=C2)C(O)=O)=O)CCC1)=O)C(CC)C)C)=O)CC3=CC=C(O)C=C3)=O)C(NC)CCCCCCC
+CH$IUPAC: InChI=1S/C41H61N5O9/c1-6-8-9-10-11-13-31(42-4)36(49)38(51)43-32(24-27-15-19-29(47)20-16-27)39(52)45(5)35(26(3)7-2)40(53)46-23-12-14-34(46)37(50)44-33(41(54)55)25-28-17-21-30(48)22-18-28/h15-22,26,31-36,42,47-49H,6-14,23-25H2,1-5H3,(H,43,51)(H,44,50)(H,54,55)
+CH$LINK: PUBCHEM CID:146683918
+CH$LINK: INCHIKEY IFMJJUPZIKGJIU-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 80-803
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.264 min
+MS$FOCUSED_ION: BASE_PEAK 146.9382
+MS$FOCUSED_ION: PRECURSOR_M/Z 766.4397
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-014i-0030000900-4ebe86eebc7d864a8699
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  277.1183 C12H15N5O3- 2 277.118 1.01
+  766.4385 C41H60N5O9- 1 766.4397 -1.54
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  277.1183 80696.2 370
+  766.4385 217612.7 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED085801.txt b/Eawag/MSBNK-EAWAG-ED085801.txt
new file mode 100644
index 0000000000..c794264fd5
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED085801.txt
@@ -0,0 +1,50 @@
+ACCESSION: MSBNK-EAWAG-ED085801
+RECORD_TITLE: Microginin KR767 (and isomers); LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], A. Miglione [dtc], L. Tartaglione [dtc], F. Varriale [dtc], C. Dell'Aversano [dtc], S.K. Zervou [dtc], T. M. Triantis [dtc], T. Kaloudis [dtc], A. Hiskia [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.chemosphere.2022.137013
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 858
+CH$NAME: Microginin KR767 (and isomers)
+CH$NAME: (2R)-2-[[(2S)-1-[(2S)-2-[[(2R)-2-[[(2S,3S)-2-hydroxy-3-(methylamino)decanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]-methylamino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C41H61N5O9
+CH$EXACT_MASS: 767.4469285
+CH$SMILES: O[C@@H]([C@H](CCCCCCC)NC)C(N[C@H](CC1=CC=C(C=C1)O)C(N([C@@H](CC(C)C)C(N2[C@@H](CCC2)C(N[C@@H](C(O)=O)CC3=CC=C(C=C3)O)=O)=O)C)=O)=O
+CH$IUPAC: InChI=1S/C41H61N5O9/c1-6-7-8-9-10-12-31(42-4)36(49)38(51)43-32(24-27-14-18-29(47)19-15-27)39(52)45(5)35(23-26(2)3)40(53)46-22-11-13-34(46)37(50)44-33(41(54)55)25-28-16-20-30(48)21-17-28/h14-21,26,31-36,42,47-49H,6-13,22-25H2,1-5H3,(H,43,51)(H,44,50)(H,54,55)/t31-,32+,33+,34-,35-,36-/m0/s1
+CH$LINK: PUBCHEM CID:146683786
+CH$LINK: INCHIKEY PUNOWWCAVNLVNA-VBBYNRSSSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 80-805
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.307 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 768.4542
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00kf-0000900800-f993d1d6ab2e99f4f2d5
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  345.2169 C20H29N2O3+ 2 345.2173 -0.93
+  349.1747 C18H25N2O5+ 3 349.1758 -3.28
+  490.3271 C27H44N3O5+ 3 490.3275 -0.88
+  768.4541 C41H62N5O9+ 1 768.4542 -0.13
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  345.2169 13824.4 15
+  349.1747 17354.1 19
+  490.3271 866894.9 999
+  768.4541 799337.9 921
+//
diff --git a/Eawag/MSBNK-EAWAG-ED085802.txt b/Eawag/MSBNK-EAWAG-ED085802.txt
new file mode 100644
index 0000000000..5ed9c706c7
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED085802.txt
@@ -0,0 +1,52 @@
+ACCESSION: MSBNK-EAWAG-ED085802
+RECORD_TITLE: Microginin KR767 (and isomers); LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], A. Miglione [dtc], L. Tartaglione [dtc], F. Varriale [dtc], C. Dell'Aversano [dtc], S.K. Zervou [dtc], T. M. Triantis [dtc], T. Kaloudis [dtc], A. Hiskia [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.chemosphere.2022.137013
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 858
+CH$NAME: Microginin KR767 (and isomers)
+CH$NAME: (2R)-2-[[(2S)-1-[(2S)-2-[[(2R)-2-[[(2S,3S)-2-hydroxy-3-(methylamino)decanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]-methylamino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C41H61N5O9
+CH$EXACT_MASS: 767.4469285
+CH$SMILES: O[C@@H]([C@H](CCCCCCC)NC)C(N[C@H](CC1=CC=C(C=C1)O)C(N([C@@H](CC(C)C)C(N2[C@@H](CCC2)C(N[C@@H](C(O)=O)CC3=CC=C(C=C3)O)=O)=O)C)=O)=O
+CH$IUPAC: InChI=1S/C41H61N5O9/c1-6-7-8-9-10-12-31(42-4)36(49)38(51)43-32(24-27-14-18-29(47)19-15-27)39(52)45(5)35(23-26(2)3)40(53)46-22-11-13-34(46)37(50)44-33(41(54)55)25-28-16-20-30(48)21-17-28/h14-21,26,31-36,42,47-49H,6-13,22-25H2,1-5H3,(H,43,51)(H,44,50)(H,54,55)/t31-,32+,33+,34-,35-,36-/m0/s1
+CH$LINK: PUBCHEM CID:146683786
+CH$LINK: INCHIKEY PUNOWWCAVNLVNA-VBBYNRSSSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 80-805
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.307 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 768.4542
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0006-0001900000-23bd887b58427c73f1fc
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  182.1538 C11H20NO+ 1 182.1539 -0.7
+  345.2173 C20H29N2O3+ 2 345.2173 -0.05
+  349.1757 C18H25N2O5+ 2 349.1758 -0.4
+  490.3273 C27H44N3O5+ 2 490.3275 -0.44
+  768.4558 C41H62N5O9+ 1 768.4542 2.1
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  182.1538 58775.6 56
+  345.2173 123605.3 117
+  349.1757 99877.1 95
+  490.3273 1047965.3 999
+  768.4558 91104.3 86
+//
diff --git a/Eawag/MSBNK-EAWAG-ED085803.txt b/Eawag/MSBNK-EAWAG-ED085803.txt
new file mode 100644
index 0000000000..3109d80517
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED085803.txt
@@ -0,0 +1,56 @@
+ACCESSION: MSBNK-EAWAG-ED085803
+RECORD_TITLE: Microginin KR767 (and isomers); LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], A. Miglione [dtc], L. Tartaglione [dtc], F. Varriale [dtc], C. Dell'Aversano [dtc], S.K. Zervou [dtc], T. M. Triantis [dtc], T. Kaloudis [dtc], A. Hiskia [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.chemosphere.2022.137013
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 858
+CH$NAME: Microginin KR767 (and isomers)
+CH$NAME: (2R)-2-[[(2S)-1-[(2S)-2-[[(2R)-2-[[(2S,3S)-2-hydroxy-3-(methylamino)decanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]-methylamino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C41H61N5O9
+CH$EXACT_MASS: 767.4469285
+CH$SMILES: O[C@@H]([C@H](CCCCCCC)NC)C(N[C@H](CC1=CC=C(C=C1)O)C(N([C@@H](CC(C)C)C(N2[C@@H](CCC2)C(N[C@@H](C(O)=O)CC3=CC=C(C=C3)O)=O)=O)C)=O)=O
+CH$IUPAC: InChI=1S/C41H61N5O9/c1-6-7-8-9-10-12-31(42-4)36(49)38(51)43-32(24-27-14-18-29(47)19-15-27)39(52)45(5)35(23-26(2)3)40(53)46-22-11-13-34(46)37(50)44-33(41(54)55)25-28-16-20-30(48)21-17-28/h14-21,26,31-36,42,47-49H,6-13,22-25H2,1-5H3,(H,43,51)(H,44,50)(H,54,55)/t31-,32+,33+,34-,35-,36-/m0/s1
+CH$LINK: PUBCHEM CID:146683786
+CH$LINK: INCHIKEY PUNOWWCAVNLVNA-VBBYNRSSSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 80-805
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.307 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 768.4542
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0007-0807900000-e3410aa90d8af94b9170
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  100.112 C6H14N+ 1 100.1121 -0.33
+  142.1592 C9H20N+ 1 142.159 1.28
+  154.1589 C10H20N+ 1 154.159 -0.54
+  182.1534 C11H20NO+ 2 182.1539 -2.88
+  345.2168 C20H29N2O3+ 2 345.2173 -1.46
+  349.1752 C18H25N2O5+ 2 349.1758 -1.62
+  490.3272 C27H44N3O5+ 3 490.3275 -0.69
+PK$NUM_PEAK: 7
+PK$PEAK: m/z int. rel.int.
+  100.112 69421.7 141
+  142.1592 101304.5 205
+  154.1589 42653.9 86
+  182.1534 231580.5 470
+  345.2168 256664.8 521
+  349.1752 171408.5 348
+  490.3272 491299.3 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED085804.txt b/Eawag/MSBNK-EAWAG-ED085804.txt
new file mode 100644
index 0000000000..f2941fa85b
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED085804.txt
@@ -0,0 +1,58 @@
+ACCESSION: MSBNK-EAWAG-ED085804
+RECORD_TITLE: Microginin KR767 (and isomers); LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], A. Miglione [dtc], L. Tartaglione [dtc], F. Varriale [dtc], C. Dell'Aversano [dtc], S.K. Zervou [dtc], T. M. Triantis [dtc], T. Kaloudis [dtc], A. Hiskia [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.chemosphere.2022.137013
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 858
+CH$NAME: Microginin KR767 (and isomers)
+CH$NAME: (2R)-2-[[(2S)-1-[(2S)-2-[[(2R)-2-[[(2S,3S)-2-hydroxy-3-(methylamino)decanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]-methylamino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C41H61N5O9
+CH$EXACT_MASS: 767.4469285
+CH$SMILES: O[C@@H]([C@H](CCCCCCC)NC)C(N[C@H](CC1=CC=C(C=C1)O)C(N([C@@H](CC(C)C)C(N2[C@@H](CCC2)C(N[C@@H](C(O)=O)CC3=CC=C(C=C3)O)=O)=O)C)=O)=O
+CH$IUPAC: InChI=1S/C41H61N5O9/c1-6-7-8-9-10-12-31(42-4)36(49)38(51)43-32(24-27-14-18-29(47)19-15-27)39(52)45(5)35(23-26(2)3)40(53)46-22-11-13-34(46)37(50)44-33(41(54)55)25-28-16-20-30(48)21-17-28/h14-21,26,31-36,42,47-49H,6-13,22-25H2,1-5H3,(H,43,51)(H,44,50)(H,54,55)/t31-,32+,33+,34-,35-,36-/m0/s1
+CH$LINK: PUBCHEM CID:146683786
+CH$LINK: INCHIKEY PUNOWWCAVNLVNA-VBBYNRSSSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 80-805
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.307 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 768.4542
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0f8d-0903100000-00bd4382409d2c62ad36
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  100.1121 C6H14N+ 1 100.1121 0.13
+  142.1589 C9H20N+ 1 142.159 -0.65
+  146.1177 C7H16NO2+ 1 146.1176 0.94
+  154.1589 C10H20N+ 1 154.159 -0.73
+  182.1534 C11H20NO+ 2 182.1539 -3.22
+  345.2172 C20H29N2O3+ 2 345.2173 -0.23
+  349.1755 C18H25N2O5+ 2 349.1758 -0.84
+  490.3273 C27H44N3O5+ 2 490.3275 -0.44
+PK$NUM_PEAK: 8
+PK$PEAK: m/z int. rel.int.
+  100.1121 172004.3 497
+  142.1589 194466.3 562
+  146.1177 26357.9 76
+  154.1589 78478.7 227
+  182.1534 345232.7 999
+  345.2172 192174.8 556
+  349.1755 106264.8 307
+  490.3273 103768.1 300
+//
diff --git a/Eawag/MSBNK-EAWAG-ED085805.txt b/Eawag/MSBNK-EAWAG-ED085805.txt
new file mode 100644
index 0000000000..1742dcd089
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED085805.txt
@@ -0,0 +1,56 @@
+ACCESSION: MSBNK-EAWAG-ED085805
+RECORD_TITLE: Microginin KR767 (and isomers); LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], A. Miglione [dtc], L. Tartaglione [dtc], F. Varriale [dtc], C. Dell'Aversano [dtc], S.K. Zervou [dtc], T. M. Triantis [dtc], T. Kaloudis [dtc], A. Hiskia [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.chemosphere.2022.137013
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 858
+CH$NAME: Microginin KR767 (and isomers)
+CH$NAME: (2R)-2-[[(2S)-1-[(2S)-2-[[(2R)-2-[[(2S,3S)-2-hydroxy-3-(methylamino)decanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]-methylamino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C41H61N5O9
+CH$EXACT_MASS: 767.4469285
+CH$SMILES: O[C@@H]([C@H](CCCCCCC)NC)C(N[C@H](CC1=CC=C(C=C1)O)C(N([C@@H](CC(C)C)C(N2[C@@H](CCC2)C(N[C@@H](C(O)=O)CC3=CC=C(C=C3)O)=O)=O)C)=O)=O
+CH$IUPAC: InChI=1S/C41H61N5O9/c1-6-7-8-9-10-12-31(42-4)36(49)38(51)43-32(24-27-14-18-29(47)19-15-27)39(52)45(5)35(23-26(2)3)40(53)46-22-11-13-34(46)37(50)44-33(41(54)55)25-28-16-20-30(48)21-17-28/h14-21,26,31-36,42,47-49H,6-13,22-25H2,1-5H3,(H,43,51)(H,44,50)(H,54,55)/t31-,32+,33+,34-,35-,36-/m0/s1
+CH$LINK: PUBCHEM CID:146683786
+CH$LINK: INCHIKEY PUNOWWCAVNLVNA-VBBYNRSSSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 80-805
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.307 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 768.4542
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0uec-0900000000-b89da72210772db6d6f3
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  100.1121 C6H14N+ 1 100.1121 -0.25
+  142.1589 C9H20N+ 1 142.159 -1.08
+  146.1177 C7H16NO2+ 1 146.1176 0.73
+  154.1587 C10H20N+ 1 154.159 -1.82
+  172.1692 C10H22NO+ 1 172.1696 -2.38
+  182.1534 C11H20NO+ 2 182.1539 -3.13
+  345.2172 C20H29N2O3+ 2 345.2173 -0.31
+PK$NUM_PEAK: 7
+PK$PEAK: m/z int. rel.int.
+  100.1121 236067.7 689
+  142.1589 300960.4 879
+  146.1177 30297.7 88
+  154.1587 112617.5 328
+  172.1692 22661.4 66
+  182.1534 341963.6 999
+  345.2172 18903.4 55
+//
diff --git a/Eawag/MSBNK-EAWAG-ED085806.txt b/Eawag/MSBNK-EAWAG-ED085806.txt
new file mode 100644
index 0000000000..c80b8b372f
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED085806.txt
@@ -0,0 +1,56 @@
+ACCESSION: MSBNK-EAWAG-ED085806
+RECORD_TITLE: Microginin KR767 (and isomers); LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], A. Miglione [dtc], L. Tartaglione [dtc], F. Varriale [dtc], C. Dell'Aversano [dtc], S.K. Zervou [dtc], T. M. Triantis [dtc], T. Kaloudis [dtc], A. Hiskia [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.chemosphere.2022.137013
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 858
+CH$NAME: Microginin KR767 (and isomers)
+CH$NAME: (2R)-2-[[(2S)-1-[(2S)-2-[[(2R)-2-[[(2S,3S)-2-hydroxy-3-(methylamino)decanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]-methylamino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C41H61N5O9
+CH$EXACT_MASS: 767.4469285
+CH$SMILES: O[C@@H]([C@H](CCCCCCC)NC)C(N[C@H](CC1=CC=C(C=C1)O)C(N([C@@H](CC(C)C)C(N2[C@@H](CCC2)C(N[C@@H](C(O)=O)CC3=CC=C(C=C3)O)=O)=O)C)=O)=O
+CH$IUPAC: InChI=1S/C41H61N5O9/c1-6-7-8-9-10-12-31(42-4)36(49)38(51)43-32(24-27-14-18-29(47)19-15-27)39(52)45(5)35(23-26(2)3)40(53)46-22-11-13-34(46)37(50)44-33(41(54)55)25-28-16-20-30(48)21-17-28/h14-21,26,31-36,42,47-49H,6-13,22-25H2,1-5H3,(H,43,51)(H,44,50)(H,54,55)/t31-,32+,33+,34-,35-,36-/m0/s1
+CH$LINK: PUBCHEM CID:146683786
+CH$LINK: INCHIKEY PUNOWWCAVNLVNA-VBBYNRSSSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 80-805
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.307 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 768.4542
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0f6x-0900000000-6e94fd04820178d8323b
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  100.1121 C6H14N+ 1 100.1121 0.21
+  136.0758 C8H10NO+ 1 136.0757 0.88
+  142.1589 C9H20N+ 1 142.159 -0.87
+  154.1588 C10H20N+ 1 154.159 -1.43
+  172.1693 C10H22NO+ 1 172.1696 -1.49
+  182.1534 C11H20NO+ 2 182.1539 -2.71
+  194.0812 C10H12NO3+ 1 194.0812 0.06
+PK$NUM_PEAK: 7
+PK$PEAK: m/z int. rel.int.
+  100.1121 226944.9 564
+  136.0758 25010.5 62
+  142.1589 401939.1 999
+  154.1588 92454.5 229
+  172.1693 15214.4 37
+  182.1534 183215.2 455
+  194.0812 27846.2 69
+//
diff --git a/Eawag/MSBNK-EAWAG-ED085807.txt b/Eawag/MSBNK-EAWAG-ED085807.txt
new file mode 100644
index 0000000000..3bfd0fc3e4
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED085807.txt
@@ -0,0 +1,50 @@
+ACCESSION: MSBNK-EAWAG-ED085807
+RECORD_TITLE: Microginin KR767 (and isomers); LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], A. Miglione [dtc], L. Tartaglione [dtc], F. Varriale [dtc], C. Dell'Aversano [dtc], S.K. Zervou [dtc], T. M. Triantis [dtc], T. Kaloudis [dtc], A. Hiskia [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.chemosphere.2022.137013
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 858
+CH$NAME: Microginin KR767 (and isomers)
+CH$NAME: (2R)-2-[[(2S)-1-[(2S)-2-[[(2R)-2-[[(2S,3S)-2-hydroxy-3-(methylamino)decanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]-methylamino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C41H61N5O9
+CH$EXACT_MASS: 767.4469285
+CH$SMILES: O[C@@H]([C@H](CCCCCCC)NC)C(N[C@H](CC1=CC=C(C=C1)O)C(N([C@@H](CC(C)C)C(N2[C@@H](CCC2)C(N[C@@H](C(O)=O)CC3=CC=C(C=C3)O)=O)=O)C)=O)=O
+CH$IUPAC: InChI=1S/C41H61N5O9/c1-6-7-8-9-10-12-31(42-4)36(49)38(51)43-32(24-27-14-18-29(47)19-15-27)39(52)45(5)35(23-26(2)3)40(53)46-22-11-13-34(46)37(50)44-33(41(54)55)25-28-16-20-30(48)21-17-28/h14-21,26,31-36,42,47-49H,6-13,22-25H2,1-5H3,(H,43,51)(H,44,50)(H,54,55)/t31-,32+,33+,34-,35-,36-/m0/s1
+CH$LINK: PUBCHEM CID:146683786
+CH$LINK: INCHIKEY PUNOWWCAVNLVNA-VBBYNRSSSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 80-805
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.307 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 768.4542
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0006-0900000000-9d724011211499da9775
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  100.1121 C6H14N+ 1 100.1121 0.59
+  136.0757 C8H10NO+ 1 136.0757 0.2
+  142.1589 C9H20N+ 1 142.159 -0.97
+  182.1534 C11H20NO+ 2 182.1539 -3.13
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  100.1121 185970.5 471
+  136.0757 44537.8 113
+  142.1589 393671.8 999
+  182.1534 64435.7 163
+//
diff --git a/Eawag/MSBNK-EAWAG-ED085808.txt b/Eawag/MSBNK-EAWAG-ED085808.txt
new file mode 100644
index 0000000000..89e837a150
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED085808.txt
@@ -0,0 +1,48 @@
+ACCESSION: MSBNK-EAWAG-ED085808
+RECORD_TITLE: Microginin KR767 (and isomers); LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], A. Miglione [dtc], L. Tartaglione [dtc], F. Varriale [dtc], C. Dell'Aversano [dtc], S.K. Zervou [dtc], T. M. Triantis [dtc], T. Kaloudis [dtc], A. Hiskia [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.chemosphere.2022.137013
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 858
+CH$NAME: Microginin KR767 (and isomers)
+CH$NAME: (2R)-2-[[(2S)-1-[(2S)-2-[[(2R)-2-[[(2S,3S)-2-hydroxy-3-(methylamino)decanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]-methylamino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C41H61N5O9
+CH$EXACT_MASS: 767.4469285
+CH$SMILES: O[C@@H]([C@H](CCCCCCC)NC)C(N[C@H](CC1=CC=C(C=C1)O)C(N([C@@H](CC(C)C)C(N2[C@@H](CCC2)C(N[C@@H](C(O)=O)CC3=CC=C(C=C3)O)=O)=O)C)=O)=O
+CH$IUPAC: InChI=1S/C41H61N5O9/c1-6-7-8-9-10-12-31(42-4)36(49)38(51)43-32(24-27-14-18-29(47)19-15-27)39(52)45(5)35(23-26(2)3)40(53)46-22-11-13-34(46)37(50)44-33(41(54)55)25-28-16-20-30(48)21-17-28/h14-21,26,31-36,42,47-49H,6-13,22-25H2,1-5H3,(H,43,51)(H,44,50)(H,54,55)/t31-,32+,33+,34-,35-,36-/m0/s1
+CH$LINK: PUBCHEM CID:146683786
+CH$LINK: INCHIKEY PUNOWWCAVNLVNA-VBBYNRSSSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 80-805
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.307 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 768.4542
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0f6x-0900000000-dd22c8058e00dae35ab2
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  100.112 C6H14N+ 1 100.1121 -0.48
+  136.0755 C8H10NO+ 1 136.0757 -1.59
+  142.1588 C9H20N+ 1 142.159 -1.3
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  100.112 153763.6 503
+  136.0755 45322.7 148
+  142.1588 305234.6 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED085809.txt b/Eawag/MSBNK-EAWAG-ED085809.txt
new file mode 100644
index 0000000000..f56441f29b
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED085809.txt
@@ -0,0 +1,48 @@
+ACCESSION: MSBNK-EAWAG-ED085809
+RECORD_TITLE: Microginin KR767 (and isomers); LC-ESI-QFT; MS2; CE: 80%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], A. Miglione [dtc], L. Tartaglione [dtc], F. Varriale [dtc], C. Dell'Aversano [dtc], S.K. Zervou [dtc], T. M. Triantis [dtc], T. Kaloudis [dtc], A. Hiskia [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.chemosphere.2022.137013
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 858
+CH$NAME: Microginin KR767 (and isomers)
+CH$NAME: (2R)-2-[[(2S)-1-[(2S)-2-[[(2R)-2-[[(2S,3S)-2-hydroxy-3-(methylamino)decanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]-methylamino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C41H61N5O9
+CH$EXACT_MASS: 767.4469285
+CH$SMILES: O[C@@H]([C@H](CCCCCCC)NC)C(N[C@H](CC1=CC=C(C=C1)O)C(N([C@@H](CC(C)C)C(N2[C@@H](CCC2)C(N[C@@H](C(O)=O)CC3=CC=C(C=C3)O)=O)=O)C)=O)=O
+CH$IUPAC: InChI=1S/C41H61N5O9/c1-6-7-8-9-10-12-31(42-4)36(49)38(51)43-32(24-27-14-18-29(47)19-15-27)39(52)45(5)35(23-26(2)3)40(53)46-22-11-13-34(46)37(50)44-33(41(54)55)25-28-16-20-30(48)21-17-28/h14-21,26,31-36,42,47-49H,6-13,22-25H2,1-5H3,(H,43,51)(H,44,50)(H,54,55)/t31-,32+,33+,34-,35-,36-/m0/s1
+CH$LINK: PUBCHEM CID:146683786
+CH$LINK: INCHIKEY PUNOWWCAVNLVNA-VBBYNRSSSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 80-805
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.307 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 768.4542
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0f6x-0900000000-390dd1a6d670e77fc144
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  100.112 C6H14N+ 1 100.1121 -0.93
+  136.0755 C8H10NO+ 1 136.0757 -1.59
+  142.1589 C9H20N+ 1 142.159 -1.19
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  100.112 101953.4 549
+  136.0755 48447 261
+  142.1589 185350.5 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED085851.txt b/Eawag/MSBNK-EAWAG-ED085851.txt
new file mode 100644
index 0000000000..8a20d6b0cc
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED085851.txt
@@ -0,0 +1,44 @@
+ACCESSION: MSBNK-EAWAG-ED085851
+RECORD_TITLE: Microginin KR767 (and isomers); LC-ESI-QFT; MS2; CE: 15%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], A. Miglione [dtc], L. Tartaglione [dtc], F. Varriale [dtc], C. Dell'Aversano [dtc], S.K. Zervou [dtc], T. M. Triantis [dtc], T. Kaloudis [dtc], A. Hiskia [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.chemosphere.2022.137013
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 858
+CH$NAME: Microginin KR767 (and isomers)
+CH$NAME: (2R)-2-[[(2S)-1-[(2S)-2-[[(2R)-2-[[(2S,3S)-2-hydroxy-3-(methylamino)decanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]-methylamino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C41H61N5O9
+CH$EXACT_MASS: 767.4469285
+CH$SMILES: O[C@@H]([C@H](CCCCCCC)NC)C(N[C@H](CC1=CC=C(C=C1)O)C(N([C@@H](CC(C)C)C(N2[C@@H](CCC2)C(N[C@@H](C(O)=O)CC3=CC=C(C=C3)O)=O)=O)C)=O)=O
+CH$IUPAC: InChI=1S/C41H61N5O9/c1-6-7-8-9-10-12-31(42-4)36(49)38(51)43-32(24-27-14-18-29(47)19-15-27)39(52)45(5)35(23-26(2)3)40(53)46-22-11-13-34(46)37(50)44-33(41(54)55)25-28-16-20-30(48)21-17-28/h14-21,26,31-36,42,47-49H,6-13,22-25H2,1-5H3,(H,43,51)(H,44,50)(H,54,55)/t31-,32+,33+,34-,35-,36-/m0/s1
+CH$LINK: PUBCHEM CID:146683786
+CH$LINK: INCHIKEY PUNOWWCAVNLVNA-VBBYNRSSSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 80-803
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.264 min
+MS$FOCUSED_ION: BASE_PEAK 146.9382
+MS$FOCUSED_ION: PRECURSOR_M/Z 766.4397
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-014i-0000000900-71c3a35b3fd4941ca945
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  766.4404 C41H60N5O9- 1 766.4397 1.01
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  766.4404 573504.2 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED085852.txt b/Eawag/MSBNK-EAWAG-ED085852.txt
new file mode 100644
index 0000000000..3bae1b7f05
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED085852.txt
@@ -0,0 +1,44 @@
+ACCESSION: MSBNK-EAWAG-ED085852
+RECORD_TITLE: Microginin KR767 (and isomers); LC-ESI-QFT; MS2; CE: 20%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], A. Miglione [dtc], L. Tartaglione [dtc], F. Varriale [dtc], C. Dell'Aversano [dtc], S.K. Zervou [dtc], T. M. Triantis [dtc], T. Kaloudis [dtc], A. Hiskia [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.chemosphere.2022.137013
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 858
+CH$NAME: Microginin KR767 (and isomers)
+CH$NAME: (2R)-2-[[(2S)-1-[(2S)-2-[[(2R)-2-[[(2S,3S)-2-hydroxy-3-(methylamino)decanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]-methylamino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C41H61N5O9
+CH$EXACT_MASS: 767.4469285
+CH$SMILES: O[C@@H]([C@H](CCCCCCC)NC)C(N[C@H](CC1=CC=C(C=C1)O)C(N([C@@H](CC(C)C)C(N2[C@@H](CCC2)C(N[C@@H](C(O)=O)CC3=CC=C(C=C3)O)=O)=O)C)=O)=O
+CH$IUPAC: InChI=1S/C41H61N5O9/c1-6-7-8-9-10-12-31(42-4)36(49)38(51)43-32(24-27-14-18-29(47)19-15-27)39(52)45(5)35(23-26(2)3)40(53)46-22-11-13-34(46)37(50)44-33(41(54)55)25-28-16-20-30(48)21-17-28/h14-21,26,31-36,42,47-49H,6-13,22-25H2,1-5H3,(H,43,51)(H,44,50)(H,54,55)/t31-,32+,33+,34-,35-,36-/m0/s1
+CH$LINK: PUBCHEM CID:146683786
+CH$LINK: INCHIKEY PUNOWWCAVNLVNA-VBBYNRSSSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 80-803
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.264 min
+MS$FOCUSED_ION: BASE_PEAK 146.9382
+MS$FOCUSED_ION: PRECURSOR_M/Z 766.4397
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-014i-0000000900-be900790e7013a058e6b
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  766.4403 C41H60N5O9- 1 766.4397 0.85
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  766.4403 521190.6 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED085853.txt b/Eawag/MSBNK-EAWAG-ED085853.txt
new file mode 100644
index 0000000000..88057630b5
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED085853.txt
@@ -0,0 +1,44 @@
+ACCESSION: MSBNK-EAWAG-ED085853
+RECORD_TITLE: Microginin KR767 (and isomers); LC-ESI-QFT; MS2; CE: 25%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], A. Miglione [dtc], L. Tartaglione [dtc], F. Varriale [dtc], C. Dell'Aversano [dtc], S.K. Zervou [dtc], T. M. Triantis [dtc], T. Kaloudis [dtc], A. Hiskia [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.chemosphere.2022.137013
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 858
+CH$NAME: Microginin KR767 (and isomers)
+CH$NAME: (2R)-2-[[(2S)-1-[(2S)-2-[[(2R)-2-[[(2S,3S)-2-hydroxy-3-(methylamino)decanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]-methylamino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C41H61N5O9
+CH$EXACT_MASS: 767.4469285
+CH$SMILES: O[C@@H]([C@H](CCCCCCC)NC)C(N[C@H](CC1=CC=C(C=C1)O)C(N([C@@H](CC(C)C)C(N2[C@@H](CCC2)C(N[C@@H](C(O)=O)CC3=CC=C(C=C3)O)=O)=O)C)=O)=O
+CH$IUPAC: InChI=1S/C41H61N5O9/c1-6-7-8-9-10-12-31(42-4)36(49)38(51)43-32(24-27-14-18-29(47)19-15-27)39(52)45(5)35(23-26(2)3)40(53)46-22-11-13-34(46)37(50)44-33(41(54)55)25-28-16-20-30(48)21-17-28/h14-21,26,31-36,42,47-49H,6-13,22-25H2,1-5H3,(H,43,51)(H,44,50)(H,54,55)/t31-,32+,33+,34-,35-,36-/m0/s1
+CH$LINK: PUBCHEM CID:146683786
+CH$LINK: INCHIKEY PUNOWWCAVNLVNA-VBBYNRSSSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 80-803
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.264 min
+MS$FOCUSED_ION: BASE_PEAK 146.9382
+MS$FOCUSED_ION: PRECURSOR_M/Z 766.4397
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-014i-0000000900-5a808ba7af5e73004673
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  766.4397 C41H60N5O9- 1 766.4397 0.05
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  766.4397 433516.3 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED085854.txt b/Eawag/MSBNK-EAWAG-ED085854.txt
new file mode 100644
index 0000000000..59162cf357
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED085854.txt
@@ -0,0 +1,46 @@
+ACCESSION: MSBNK-EAWAG-ED085854
+RECORD_TITLE: Microginin KR767 (and isomers); LC-ESI-QFT; MS2; CE: 30%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], A. Miglione [dtc], L. Tartaglione [dtc], F. Varriale [dtc], C. Dell'Aversano [dtc], S.K. Zervou [dtc], T. M. Triantis [dtc], T. Kaloudis [dtc], A. Hiskia [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.chemosphere.2022.137013
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 858
+CH$NAME: Microginin KR767 (and isomers)
+CH$NAME: (2R)-2-[[(2S)-1-[(2S)-2-[[(2R)-2-[[(2S,3S)-2-hydroxy-3-(methylamino)decanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]-methylamino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C41H61N5O9
+CH$EXACT_MASS: 767.4469285
+CH$SMILES: O[C@@H]([C@H](CCCCCCC)NC)C(N[C@H](CC1=CC=C(C=C1)O)C(N([C@@H](CC(C)C)C(N2[C@@H](CCC2)C(N[C@@H](C(O)=O)CC3=CC=C(C=C3)O)=O)=O)C)=O)=O
+CH$IUPAC: InChI=1S/C41H61N5O9/c1-6-7-8-9-10-12-31(42-4)36(49)38(51)43-32(24-27-14-18-29(47)19-15-27)39(52)45(5)35(23-26(2)3)40(53)46-22-11-13-34(46)37(50)44-33(41(54)55)25-28-16-20-30(48)21-17-28/h14-21,26,31-36,42,47-49H,6-13,22-25H2,1-5H3,(H,43,51)(H,44,50)(H,54,55)/t31-,32+,33+,34-,35-,36-/m0/s1
+CH$LINK: PUBCHEM CID:146683786
+CH$LINK: INCHIKEY PUNOWWCAVNLVNA-VBBYNRSSSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 80-803
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.264 min
+MS$FOCUSED_ION: BASE_PEAK 146.9382
+MS$FOCUSED_ION: PRECURSOR_M/Z 766.4397
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-014i-0030000900-4ebe86eebc7d864a8699
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  277.1183 C12H15N5O3- 2 277.118 1.01
+  766.4385 C41H60N5O9- 1 766.4397 -1.54
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  277.1183 80696.2 370
+  766.4385 217612.7 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED086101.txt b/Eawag/MSBNK-EAWAG-ED086101.txt
new file mode 100644
index 0000000000..d990483507
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED086101.txt
@@ -0,0 +1,49 @@
+ACCESSION: MSBNK-EAWAG-ED086101
+RECORD_TITLE: Nodularin-R; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], K. Thomas [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.4224/crm.2013.nodr.20070214
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 861
+CH$NAME: Nodularin-R
+CH$NAME: Nodularin R
+CH$NAME: (2Z,5R,6S,9S,12S,13S,16R)-9-[3-(diaminomethylideneamino)propyl]-2-ethylidene-12-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,6,13-trimethyl-3,7,10,14,19-pentaoxo-1,4,8,11,15-pentazacyclononadecane-5,16-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C41H60N8O10
+CH$EXACT_MASS: 824.4432401
+CH$SMILES: C/C=C\1/C(=O)N[C@H]([C@@H](C(=O)N[C@H](C(=O)N[C@H]([C@@H](C(=O)N[C@H](CCC(=O)N1C)C(=O)O)C)/C=C/C(=C/[C@H](C)[C@H](CC2=CC=CC=C2)OC)/C)CCCN=C(N)N)C)C(=O)O
+CH$IUPAC: InChI=1S/C41H60N8O10/c1-8-31-38(54)48-34(40(57)58)26(5)36(52)46-29(15-12-20-44-41(42)43)37(53)45-28(25(4)35(51)47-30(39(55)56)18-19-33(50)49(31)6)17-16-23(2)21-24(3)32(59-7)22-27-13-10-9-11-14-27/h8-11,13-14,16-17,21,24-26,28-30,32,34H,12,15,18-20,22H2,1-7H3,(H,45,53)(H,46,52)(H,47,51)(H,48,54)(H,55,56)(H,57,58)(H4,42,43,44)/b17-16+,23-21+,31-8-/t24-,25-,26-,28-,29-,30+,32-,34+/m0/s1
+CH$LINK: CAS 118399-22-7
+CH$LINK: CHEBI 80043
+CH$LINK: KEGG C15713
+CH$LINK: PUBCHEM CID:14217092
+CH$LINK: INCHIKEY IXBQSRWSVIBXNC-HSKGSTCASA-N
+CH$LINK: CHEMSPIDER 10471625
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 86-863
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 14.505 min
+MS$FOCUSED_ION: BASE_PEAK 825.4478
+MS$FOCUSED_ION: PRECURSOR_M/Z 825.4505
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-004i-0000000090-f655042756690dcb6c0b
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  825.4481 C41H61N8O10+ 1 825.4505 -2.98
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  825.4481 243426976 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED086102.txt b/Eawag/MSBNK-EAWAG-ED086102.txt
new file mode 100644
index 0000000000..1b644bc3fb
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED086102.txt
@@ -0,0 +1,49 @@
+ACCESSION: MSBNK-EAWAG-ED086102
+RECORD_TITLE: Nodularin-R; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], K. Thomas [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.4224/crm.2013.nodr.20070214
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 861
+CH$NAME: Nodularin-R
+CH$NAME: Nodularin R
+CH$NAME: (2Z,5R,6S,9S,12S,13S,16R)-9-[3-(diaminomethylideneamino)propyl]-2-ethylidene-12-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,6,13-trimethyl-3,7,10,14,19-pentaoxo-1,4,8,11,15-pentazacyclononadecane-5,16-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C41H60N8O10
+CH$EXACT_MASS: 824.4432401
+CH$SMILES: C/C=C\1/C(=O)N[C@H]([C@@H](C(=O)N[C@H](C(=O)N[C@H]([C@@H](C(=O)N[C@H](CCC(=O)N1C)C(=O)O)C)/C=C/C(=C/[C@H](C)[C@H](CC2=CC=CC=C2)OC)/C)CCCN=C(N)N)C)C(=O)O
+CH$IUPAC: InChI=1S/C41H60N8O10/c1-8-31-38(54)48-34(40(57)58)26(5)36(52)46-29(15-12-20-44-41(42)43)37(53)45-28(25(4)35(51)47-30(39(55)56)18-19-33(50)49(31)6)17-16-23(2)21-24(3)32(59-7)22-27-13-10-9-11-14-27/h8-11,13-14,16-17,21,24-26,28-30,32,34H,12,15,18-20,22H2,1-7H3,(H,45,53)(H,46,52)(H,47,51)(H,48,54)(H,55,56)(H,57,58)(H4,42,43,44)/b17-16+,23-21+,31-8-/t24-,25-,26-,28-,29-,30+,32-,34+/m0/s1
+CH$LINK: CAS 118399-22-7
+CH$LINK: CHEBI 80043
+CH$LINK: KEGG C15713
+CH$LINK: PUBCHEM CID:14217092
+CH$LINK: INCHIKEY IXBQSRWSVIBXNC-HSKGSTCASA-N
+CH$LINK: CHEMSPIDER 10471625
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 86-863
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 14.505 min
+MS$FOCUSED_ION: BASE_PEAK 825.4478
+MS$FOCUSED_ION: PRECURSOR_M/Z 825.4505
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-004i-0000000090-a37e7c292a8c78abd235
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  825.4484 C41H61N8O10+ 1 825.4505 -2.53
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  825.4484 288284192 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED086103.txt b/Eawag/MSBNK-EAWAG-ED086103.txt
new file mode 100644
index 0000000000..72fc7a93d0
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED086103.txt
@@ -0,0 +1,53 @@
+ACCESSION: MSBNK-EAWAG-ED086103
+RECORD_TITLE: Nodularin-R; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], K. Thomas [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.4224/crm.2013.nodr.20070214
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 861
+CH$NAME: Nodularin-R
+CH$NAME: Nodularin R
+CH$NAME: (2Z,5R,6S,9S,12S,13S,16R)-9-[3-(diaminomethylideneamino)propyl]-2-ethylidene-12-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,6,13-trimethyl-3,7,10,14,19-pentaoxo-1,4,8,11,15-pentazacyclononadecane-5,16-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C41H60N8O10
+CH$EXACT_MASS: 824.4432401
+CH$SMILES: C/C=C\1/C(=O)N[C@H]([C@@H](C(=O)N[C@H](C(=O)N[C@H]([C@@H](C(=O)N[C@H](CCC(=O)N1C)C(=O)O)C)/C=C/C(=C/[C@H](C)[C@H](CC2=CC=CC=C2)OC)/C)CCCN=C(N)N)C)C(=O)O
+CH$IUPAC: InChI=1S/C41H60N8O10/c1-8-31-38(54)48-34(40(57)58)26(5)36(52)46-29(15-12-20-44-41(42)43)37(53)45-28(25(4)35(51)47-30(39(55)56)18-19-33(50)49(31)6)17-16-23(2)21-24(3)32(59-7)22-27-13-10-9-11-14-27/h8-11,13-14,16-17,21,24-26,28-30,32,34H,12,15,18-20,22H2,1-7H3,(H,45,53)(H,46,52)(H,47,51)(H,48,54)(H,55,56)(H,57,58)(H4,42,43,44)/b17-16+,23-21+,31-8-/t24-,25-,26-,28-,29-,30+,32-,34+/m0/s1
+CH$LINK: CAS 118399-22-7
+CH$LINK: CHEBI 80043
+CH$LINK: KEGG C15713
+CH$LINK: PUBCHEM CID:14217092
+CH$LINK: INCHIKEY IXBQSRWSVIBXNC-HSKGSTCASA-N
+CH$LINK: CHEMSPIDER 10471625
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 86-863
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 14.505 min
+MS$FOCUSED_ION: BASE_PEAK 825.4478
+MS$FOCUSED_ION: PRECURSOR_M/Z 825.4505
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-004i-0000000090-970ba37f330168f1bc8d
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  781.4599 C40H61N8O8+ 1 781.4607 -1.04
+  808.4217 C41H58N7O10+ 1 808.424 -2.76
+  825.4486 C41H61N8O10+ 1 825.4505 -2.31
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  781.4599 6447781 27
+  808.4217 2509395 10
+  825.4486 235081904 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED086104.txt b/Eawag/MSBNK-EAWAG-ED086104.txt
new file mode 100644
index 0000000000..94fc3ce8de
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED086104.txt
@@ -0,0 +1,79 @@
+ACCESSION: MSBNK-EAWAG-ED086104
+RECORD_TITLE: Nodularin-R; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], K. Thomas [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.4224/crm.2013.nodr.20070214
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 861
+CH$NAME: Nodularin-R
+CH$NAME: Nodularin R
+CH$NAME: (2Z,5R,6S,9S,12S,13S,16R)-9-[3-(diaminomethylideneamino)propyl]-2-ethylidene-12-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,6,13-trimethyl-3,7,10,14,19-pentaoxo-1,4,8,11,15-pentazacyclononadecane-5,16-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C41H60N8O10
+CH$EXACT_MASS: 824.4432401
+CH$SMILES: C/C=C\1/C(=O)N[C@H]([C@@H](C(=O)N[C@H](C(=O)N[C@H]([C@@H](C(=O)N[C@H](CCC(=O)N1C)C(=O)O)C)/C=C/C(=C/[C@H](C)[C@H](CC2=CC=CC=C2)OC)/C)CCCN=C(N)N)C)C(=O)O
+CH$IUPAC: InChI=1S/C41H60N8O10/c1-8-31-38(54)48-34(40(57)58)26(5)36(52)46-29(15-12-20-44-41(42)43)37(53)45-28(25(4)35(51)47-30(39(55)56)18-19-33(50)49(31)6)17-16-23(2)21-24(3)32(59-7)22-27-13-10-9-11-14-27/h8-11,13-14,16-17,21,24-26,28-30,32,34H,12,15,18-20,22H2,1-7H3,(H,45,53)(H,46,52)(H,47,51)(H,48,54)(H,55,56)(H,57,58)(H4,42,43,44)/b17-16+,23-21+,31-8-/t24-,25-,26-,28-,29-,30+,32-,34+/m0/s1
+CH$LINK: CAS 118399-22-7
+CH$LINK: CHEBI 80043
+CH$LINK: KEGG C15713
+CH$LINK: PUBCHEM CID:14217092
+CH$LINK: INCHIKEY IXBQSRWSVIBXNC-HSKGSTCASA-N
+CH$LINK: CHEMSPIDER 10471625
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 86-863
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 14.505 min
+MS$FOCUSED_ION: BASE_PEAK 825.4478
+MS$FOCUSED_ION: PRECURSOR_M/Z 825.4505
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-004i-0000000090-874a9d70271838f3a5b4
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  135.0799 C9H11O+ 1 135.0804 -4.1
+  163.111 C9H13N3+ 2 163.1104 3.81
+  174.1338 C5H20NO5+ 2 174.1336 1.37
+  227.1008 C8H13N5O3+ 3 227.1013 -2.17
+  285.1655 C10H25N2O7+ 2 285.1656 -0.35
+  303.1761 C10H27N2O8+ 3 303.1762 -0.29
+  366.1757 C14H22N8O4+ 4 366.1759 -0.45
+  383.2025 C15H31N2O9+ 3 383.2024 0.25
+  389.2056 C19H27N5O4+ 4 389.2058 -0.3
+  674.3494 C32H48N7O9+ 3 674.3508 -2.11
+  691.3758 C41H49N5O5+ 3 691.3728 4.37
+  753.4647 C39H61N8O7+ 1 753.4658 -1.39
+  780.4287 C40H58N7O9+ 1 780.4291 -0.39
+  781.4594 C40H61N8O8+ 1 781.4607 -1.59
+  808.4224 C41H58N7O10+ 1 808.424 -1.93
+  825.4486 C41H61N8O10+ 1 825.4505 -2.31
+PK$NUM_PEAK: 16
+PK$PEAK: m/z int. rel.int.
+  135.0799 3291165.5 31
+  163.111 2594145 25
+  174.1338 2812002.2 27
+  227.1008 2079429.9 20
+  285.1655 1806936.5 17
+  303.1761 1065740.8 10
+  366.1757 2213925.8 21
+  383.2025 2173990.8 21
+  389.2056 6250995.5 60
+  674.3494 3640708 35
+  691.3758 4141341 40
+  753.4647 1900336.8 18
+  780.4287 1607283.9 15
+  781.4594 7923413 76
+  808.4224 2946865.5 28
+  825.4486 103413800 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED086105.txt b/Eawag/MSBNK-EAWAG-ED086105.txt
new file mode 100644
index 0000000000..246496d8d8
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED086105.txt
@@ -0,0 +1,149 @@
+ACCESSION: MSBNK-EAWAG-ED086105
+RECORD_TITLE: Nodularin-R; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], K. Thomas [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.4224/crm.2013.nodr.20070214
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 861
+CH$NAME: Nodularin-R
+CH$NAME: Nodularin R
+CH$NAME: (2Z,5R,6S,9S,12S,13S,16R)-9-[3-(diaminomethylideneamino)propyl]-2-ethylidene-12-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,6,13-trimethyl-3,7,10,14,19-pentaoxo-1,4,8,11,15-pentazacyclononadecane-5,16-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C41H60N8O10
+CH$EXACT_MASS: 824.4432401
+CH$SMILES: C/C=C\1/C(=O)N[C@H]([C@@H](C(=O)N[C@H](C(=O)N[C@H]([C@@H](C(=O)N[C@H](CCC(=O)N1C)C(=O)O)C)/C=C/C(=C/[C@H](C)[C@H](CC2=CC=CC=C2)OC)/C)CCCN=C(N)N)C)C(=O)O
+CH$IUPAC: InChI=1S/C41H60N8O10/c1-8-31-38(54)48-34(40(57)58)26(5)36(52)46-29(15-12-20-44-41(42)43)37(53)45-28(25(4)35(51)47-30(39(55)56)18-19-33(50)49(31)6)17-16-23(2)21-24(3)32(59-7)22-27-13-10-9-11-14-27/h8-11,13-14,16-17,21,24-26,28-30,32,34H,12,15,18-20,22H2,1-7H3,(H,45,53)(H,46,52)(H,47,51)(H,48,54)(H,55,56)(H,57,58)(H4,42,43,44)/b17-16+,23-21+,31-8-/t24-,25-,26-,28-,29-,30+,32-,34+/m0/s1
+CH$LINK: CAS 118399-22-7
+CH$LINK: CHEBI 80043
+CH$LINK: KEGG C15713
+CH$LINK: PUBCHEM CID:14217092
+CH$LINK: INCHIKEY IXBQSRWSVIBXNC-HSKGSTCASA-N
+CH$LINK: CHEMSPIDER 10471625
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 86-863
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 14.505 min
+MS$FOCUSED_ION: BASE_PEAK 825.4478
+MS$FOCUSED_ION: PRECURSOR_M/Z 825.4505
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-000i-0930000000-21ccc1471ef49c5d22a9
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  91.054 C7H7+ 1 91.0542 -1.94
+  93.0699 C7H9+ 1 93.0699 0.53
+  103.0539 C8H7+ 1 103.0542 -3.28
+  105.0697 C8H9+ 1 105.0699 -1.94
+  107.0852 C8H11+ 1 107.0855 -2.87
+  112.0866 C5H10N3+ 1 112.0869 -3.3
+  113.0707 C5H9N2O+ 1 113.0709 -2.25
+  114.1021 C5H12N3+ 1 114.1026 -4.08
+  115.0862 C5H11N2O+ 1 115.0866 -3.04
+  116.0703 C5H10NO2+ 1 116.0706 -2.59
+  117.0695 C9H9+ 1 117.0699 -2.8
+  120.0806 C8H10N+ 1 120.0808 -1.5
+  124.1117 C8H14N+ 1 124.1121 -3.28
+  125.0707 C6H9N2O+ 1 125.0709 -1.95
+  130.0494 C5H8NO3+ 1 130.0499 -3.36
+  130.0969 C5H12N3O+ 1 130.0975 -4.27
+  131.0851 C10H11+ 1 131.0855 -3.04
+  135.0799 C9H11O+ 1 135.0804 -3.65
+  135.1162 C10H15+ 1 135.1168 -4.84
+  139.0973 C6H11N4+ 1 139.0978 -3.42
+  140.0817 C6H10N3O+ 1 140.0818 -1.2
+  143.085 C11H11+ 1 143.0855 -3.84
+  145.1006 C11H13+ 1 145.1012 -4.31
+  157.1076 C6H13N4O+ 3 157.1084 -4.95
+  158.092 C6H12N3O2+ 1 158.0924 -2.4
+  163.0857 C7H9N5+ 1 163.0852 2.53
+  163.111 C9H13N3+ 2 163.1104 3.71
+  174.134 C5H20NO5+ 2 174.1336 2.33
+  180.1122 C7H12N6+ 1 180.1118 2.06
+  181.0961 C7H11N5O+ 1 181.0958 1.33
+  182.0801 C7H10N4O2+ 1 182.0798 1.28
+  182.1015 C5H10N8+ 3 182.1023 -4.28
+  183.1112 C7H13N5O+ 1 183.1115 -1.17
+  199.1059 C7H13N5O2+ 3 199.1064 -2.44
+  200.113 C6H18NO6+ 2 200.1129 0.68
+  201.0966 C5H11N7O2+ 2 201.0969 -1.3
+  208.1066 C8H12N6O+ 1 208.1067 -0.31
+  209.0904 C8H11N5O2+ 3 209.0907 -1.46
+  213.1328 C7H15N7O+ 3 213.1333 -2.28
+  223.117 C8H13N7O+ 3 223.1176 -2.7
+  225.0855 C8H11N5O3+ 1 225.0856 -0.71
+  225.1326 C8H15N7O+ 3 225.1333 -3
+  226.1169 C8H14N6O2+ 2 226.1173 -1.64
+  226.158 CH26N2O10+ 2 226.1582 -0.88
+  227.1009 C8H13N5O3+ 3 227.1013 -1.9
+  246.1462 C12H22O5+ 2 246.1462 0.23
+  253.0798 C8H15NO8+ 3 253.0792 2.44
+  285.1653 C10H25N2O7+ 2 285.1656 -1.21
+  366.1755 C14H22N8O4+ 4 366.1759 -0.87
+  389.2059 C19H27N5O4+ 4 389.2058 0.32
+  825.4495 C41H61N8O10+ 1 825.4505 -1.2
+PK$NUM_PEAK: 51
+PK$PEAK: m/z int. rel.int.
+  91.054 914993.6 46
+  93.0699 625326 31
+  103.0539 1877118.8 95
+  105.0697 1732059.9 87
+  107.0852 5949010.5 301
+  112.0866 3253699.2 165
+  113.0707 808082.9 40
+  114.1021 367007.1 18
+  115.0862 2177017.5 110
+  116.0703 697704.8 35
+  117.0695 758063.3 38
+  120.0806 374874.9 19
+  124.1117 339501.7 17
+  125.0707 601054.5 30
+  130.0494 577375.3 29
+  130.0969 370015 18
+  131.0851 398157.7 20
+  135.0799 19697440 999
+  135.1162 6515292 330
+  139.0973 418631.4 21
+  140.0817 404337 20
+  143.085 275857.8 13
+  145.1006 418743.3 21
+  157.1076 2439844.5 123
+  158.092 369652.4 18
+  163.0857 387520.7 19
+  163.111 6083996.5 308
+  174.134 3967108.2 201
+  180.1122 296216.1 15
+  181.0961 2503812.2 126
+  182.0801 275454.4 13
+  182.1015 229557 11
+  183.1112 1715170 86
+  199.1059 844172.1 42
+  200.113 2530795 128
+  201.0966 685873.9 34
+  208.1066 456408.3 23
+  209.0904 2902672 147
+  213.1328 792560.4 40
+  223.117 525392.8 26
+  225.0855 235833.3 11
+  225.1326 461345.5 23
+  226.1169 1103511.8 55
+  226.158 276118.7 14
+  227.1009 8820761 447
+  246.1462 895613.1 45
+  253.0798 2947169.2 149
+  285.1653 1722710.8 87
+  366.1755 2927759.2 148
+  389.2059 2508506.5 127
+  825.4495 1948617.5 98
+//
diff --git a/Eawag/MSBNK-EAWAG-ED086106.txt b/Eawag/MSBNK-EAWAG-ED086106.txt
new file mode 100644
index 0000000000..3990d11550
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED086106.txt
@@ -0,0 +1,137 @@
+ACCESSION: MSBNK-EAWAG-ED086106
+RECORD_TITLE: Nodularin-R; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], K. Thomas [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.4224/crm.2013.nodr.20070214
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 861
+CH$NAME: Nodularin-R
+CH$NAME: Nodularin R
+CH$NAME: (2Z,5R,6S,9S,12S,13S,16R)-9-[3-(diaminomethylideneamino)propyl]-2-ethylidene-12-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,6,13-trimethyl-3,7,10,14,19-pentaoxo-1,4,8,11,15-pentazacyclononadecane-5,16-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C41H60N8O10
+CH$EXACT_MASS: 824.4432401
+CH$SMILES: C/C=C\1/C(=O)N[C@H]([C@@H](C(=O)N[C@H](C(=O)N[C@H]([C@@H](C(=O)N[C@H](CCC(=O)N1C)C(=O)O)C)/C=C/C(=C/[C@H](C)[C@H](CC2=CC=CC=C2)OC)/C)CCCN=C(N)N)C)C(=O)O
+CH$IUPAC: InChI=1S/C41H60N8O10/c1-8-31-38(54)48-34(40(57)58)26(5)36(52)46-29(15-12-20-44-41(42)43)37(53)45-28(25(4)35(51)47-30(39(55)56)18-19-33(50)49(31)6)17-16-23(2)21-24(3)32(59-7)22-27-13-10-9-11-14-27/h8-11,13-14,16-17,21,24-26,28-30,32,34H,12,15,18-20,22H2,1-7H3,(H,45,53)(H,46,52)(H,47,51)(H,48,54)(H,55,56)(H,57,58)(H4,42,43,44)/b17-16+,23-21+,31-8-/t24-,25-,26-,28-,29-,30+,32-,34+/m0/s1
+CH$LINK: CAS 118399-22-7
+CH$LINK: CHEBI 80043
+CH$LINK: KEGG C15713
+CH$LINK: PUBCHEM CID:14217092
+CH$LINK: INCHIKEY IXBQSRWSVIBXNC-HSKGSTCASA-N
+CH$LINK: CHEMSPIDER 10471625
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 86-863
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 14.505 min
+MS$FOCUSED_ION: BASE_PEAK 825.4478
+MS$FOCUSED_ION: PRECURSOR_M/Z 825.4505
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-052r-0910000000-1795ed8c435a7a3072a4
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  91.0541 C7H7+ 1 91.0542 -1.61
+  93.0698 C7H9+ 1 93.0699 -1.02
+  95.0601 C5H7N2+ 1 95.0604 -2.54
+  97.0759 C5H9N2+ 1 97.076 -0.9
+  98.0598 C5H8NO+ 1 98.06 -2.11
+  103.054 C8H7+ 1 103.0542 -2.31
+  105.0696 C8H9+ 1 105.0699 -2.45
+  107.0852 C8H11+ 1 107.0855 -2.94
+  112.0866 C5H10N3+ 1 112.0869 -3.1
+  113.0707 C5H9N2O+ 1 113.0709 -1.71
+  115.0862 C5H11N2O+ 1 115.0866 -3.64
+  116.0706 C5H10NO2+ 1 116.0706 -0.09
+  117.0695 C9H9+ 1 117.0699 -2.8
+  119.085 C9H11+ 1 119.0855 -4.38
+  120.0802 C8H10N+ 1 120.0808 -4.93
+  124.0754 C7H10NO+ 1 124.0757 -2.72
+  124.1117 C8H14N+ 1 124.1121 -2.97
+  127.086 C6H11N2O+ 1 127.0866 -4.4
+  130.0494 C5H8NO3+ 1 130.0499 -3.72
+  130.0971 C5H12N3O+ 1 130.0975 -2.63
+  131.0853 C10H11+ 1 131.0855 -1.65
+  135.08 C9H11O+ 1 135.0804 -3.42
+  135.1162 C10H15+ 1 135.1168 -4.96
+  140.0814 C6H10N3O+ 1 140.0818 -3.16
+  141.0653 C6H9N2O2+ 1 141.0659 -4.12
+  145.1006 C11H13+ 1 145.1012 -3.99
+  152.0699 C6H8N4O+ 2 152.0693 3.92
+  157.1079 C6H13N4O+ 1 157.1084 -3.11
+  163.111 C9H13N3+ 2 163.1104 3.62
+  174.1343 C5H20NO5+ 3 174.1336 3.91
+  180.1119 C7H12N6+ 1 180.1118 0.7
+  181.096 C7H11N5O+ 1 181.0958 1.17
+  182.0798 C7H10N4O2+ 1 182.0798 -0.39
+  182.1019 C5H10N8+ 2 182.1023 -1.93
+  183.1118 C7H13N5O+ 1 183.1115 1.67
+  199.1065 C7H13N5O2+ 1 199.1064 0.86
+  208.1068 C8H12N6O+ 1 208.1067 0.5
+  209.0905 C8H11N5O2+ 1 209.0907 -1.03
+  213.1328 C7H15N7O+ 3 213.1333 -2
+  225.0851 C8H11N5O3+ 3 225.0856 -2.2
+  226.117 C8H14N6O2+ 2 226.1173 -1.1
+  226.1571 CH26N2O10+ 2 226.1582 -4.66
+  227.1008 C8H13N5O3+ 3 227.1013 -1.96
+  246.1473 C12H22O5+ 3 246.1462 4.57
+  285.1652 C10H25N2O7+ 2 285.1656 -1.42
+PK$NUM_PEAK: 45
+PK$PEAK: m/z int. rel.int.
+  91.0541 1968658.9 92
+  93.0698 2273572.5 106
+  95.0601 338234.8 15
+  97.0759 547166.6 25
+  98.0598 502572.8 23
+  103.054 5145388 241
+  105.0696 5036762 236
+  107.0852 8541942 400
+  112.0866 3513141.2 164
+  113.0707 1086344.2 50
+  115.0862 2732908.8 128
+  116.0706 533015.9 24
+  117.0695 2638115 123
+  119.085 336203.2 15
+  120.0802 531840.9 24
+  124.0754 444815.4 20
+  124.1117 382617 17
+  127.086 449510.7 21
+  130.0494 760536.2 35
+  130.0971 327519.6 15
+  131.0853 458348.7 21
+  135.08 21312804 999
+  135.1162 6955554 326
+  140.0814 916785.6 42
+  141.0653 671909.4 31
+  145.1006 326698.2 15
+  152.0699 1286949.2 60
+  157.1079 1782755.4 83
+  163.111 3050116.8 142
+  174.1343 1627872 76
+  180.1119 403643 18
+  181.096 3253440 152
+  182.0798 512248.6 24
+  182.1019 465668.9 21
+  183.1118 1401313.4 65
+  199.1065 585364 27
+  208.1068 376444 17
+  209.0905 3041377 142
+  213.1328 298107.7 13
+  225.0851 501397.1 23
+  226.117 922683.6 43
+  226.1571 261328.1 12
+  227.1008 6099689 285
+  246.1473 257124.8 12
+  285.1652 329143.9 15
+//
diff --git a/Eawag/MSBNK-EAWAG-ED086107.txt b/Eawag/MSBNK-EAWAG-ED086107.txt
new file mode 100644
index 0000000000..fc88b55667
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED086107.txt
@@ -0,0 +1,145 @@
+ACCESSION: MSBNK-EAWAG-ED086107
+RECORD_TITLE: Nodularin-R; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], K. Thomas [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.4224/crm.2013.nodr.20070214
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 861
+CH$NAME: Nodularin-R
+CH$NAME: Nodularin R
+CH$NAME: (2Z,5R,6S,9S,12S,13S,16R)-9-[3-(diaminomethylideneamino)propyl]-2-ethylidene-12-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,6,13-trimethyl-3,7,10,14,19-pentaoxo-1,4,8,11,15-pentazacyclononadecane-5,16-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C41H60N8O10
+CH$EXACT_MASS: 824.4432401
+CH$SMILES: C/C=C\1/C(=O)N[C@H]([C@@H](C(=O)N[C@H](C(=O)N[C@H]([C@@H](C(=O)N[C@H](CCC(=O)N1C)C(=O)O)C)/C=C/C(=C/[C@H](C)[C@H](CC2=CC=CC=C2)OC)/C)CCCN=C(N)N)C)C(=O)O
+CH$IUPAC: InChI=1S/C41H60N8O10/c1-8-31-38(54)48-34(40(57)58)26(5)36(52)46-29(15-12-20-44-41(42)43)37(53)45-28(25(4)35(51)47-30(39(55)56)18-19-33(50)49(31)6)17-16-23(2)21-24(3)32(59-7)22-27-13-10-9-11-14-27/h8-11,13-14,16-17,21,24-26,28-30,32,34H,12,15,18-20,22H2,1-7H3,(H,45,53)(H,46,52)(H,47,51)(H,48,54)(H,55,56)(H,57,58)(H4,42,43,44)/b17-16+,23-21+,31-8-/t24-,25-,26-,28-,29-,30+,32-,34+/m0/s1
+CH$LINK: CAS 118399-22-7
+CH$LINK: CHEBI 80043
+CH$LINK: KEGG C15713
+CH$LINK: PUBCHEM CID:14217092
+CH$LINK: INCHIKEY IXBQSRWSVIBXNC-HSKGSTCASA-N
+CH$LINK: CHEMSPIDER 10471625
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 86-863
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 14.505 min
+MS$FOCUSED_ION: BASE_PEAK 825.4478
+MS$FOCUSED_ION: PRECURSOR_M/Z 825.4505
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0pbi-1900000000-0ae35d2d2da896308527
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  91.0541 C7H7+ 1 91.0542 -1.27
+  93.0698 C7H9+ 1 93.0699 -1.27
+  94.0649 C6H8N+ 1 94.0651 -2.88
+  95.0491 C6H7O+ 1 95.0491 -0.82
+  95.0851 C7H11+ 1 95.0855 -4.28
+  96.0443 C5H6NO+ 1 96.0444 -0.76
+  96.0804 C6H10N+ 1 96.0808 -4.02
+  97.0759 C5H9N2+ 1 97.076 -1.29
+  98.0598 C5H8NO+ 1 98.06 -1.96
+  103.054 C8H7+ 1 103.0542 -2.54
+  105.0696 C8H9+ 1 105.0699 -2.59
+  107.0852 C8H11+ 1 107.0855 -2.87
+  109.0644 C7H9O+ 1 109.0648 -3.17
+  112.0865 C5H10N3+ 1 112.0869 -3.37
+  113.0231 C5H5O3+ 1 113.0233 -2.28
+  113.0707 C5H9N2O+ 1 113.0709 -2.18
+  114.1023 C5H12N3+ 1 114.1026 -2.07
+  115.0539 C9H7+ 1 115.0542 -3.19
+  115.0862 C5H11N2O+ 1 115.0866 -3.5
+  116.0704 C5H10NO2+ 1 116.0706 -1.34
+  117.0695 C9H9+ 1 117.0699 -3.19
+  120.0568 C8H8O+ 1 120.057 -1.32
+  120.0805 C8H10N+ 1 120.0808 -2.13
+  126.091 C7H12NO+ 1 126.0913 -3.01
+  127.0863 C6H11N2O+ 1 127.0866 -1.94
+  130.0495 C5H8NO3+ 1 130.0499 -2.78
+  130.097 C5H12N3O+ 1 130.0975 -4.04
+  131.0853 C10H11+ 1 131.0855 -1.53
+  135.08 C9H11O+ 1 135.0804 -3.54
+  136.075 C6H8N4+ 1 136.0743 4.62
+  140.0812 C6H10N3O+ 1 140.0818 -4.25
+  141.0653 C6H9N2O2+ 1 141.0659 -4.01
+  152.0698 C6H8N4O+ 1 152.0693 3.21
+  153.1016 C8H13N2O+ 2 153.1022 -4.08
+  157.1079 C6H13N4O+ 1 157.1084 -3.3
+  163.0855 C7H9N5+ 1 163.0852 1.6
+  163.1108 C9H13N3+ 1 163.1104 2.59
+  165.1016 C7H11N5+ 2 165.1009 4.27
+  174.1338 C5H20NO5+ 2 174.1336 0.93
+  180.1122 C7H12N6+ 1 180.1118 2.23
+  181.0959 C7H11N5O+ 1 181.0958 0.32
+  182.0803 C7H10N4O2+ 1 182.0798 2.37
+  182.1021 C5H10N8+ 2 182.1023 -1.1
+  198.1226 C7H14N6O+ 1 198.1224 1.22
+  199.1061 C7H13N5O2+ 1 199.1064 -1.21
+  209.0904 C8H11N5O2+ 3 209.0907 -1.76
+  210.0739 C7H14O7+ 3 210.0734 2.31
+  227.1008 C8H13N5O3+ 3 227.1013 -2.17
+  253.0796 C8H15NO8+ 3 253.0792 1.35
+PK$NUM_PEAK: 49
+PK$PEAK: m/z int. rel.int.
+  91.0541 3554093.5 223
+  93.0698 3514127.2 220
+  94.0649 163514.8 10
+  95.0491 762723.6 47
+  95.0851 218542.1 13
+  96.0443 244257.7 15
+  96.0804 230055.1 14
+  97.0759 1130632 70
+  98.0598 1142214.4 71
+  103.054 11973162 751
+  105.0696 8981134 563
+  107.0852 10145180 636
+  109.0644 299294.8 18
+  112.0865 3180786.5 199
+  113.0231 382468.9 24
+  113.0707 752728.3 47
+  114.1023 854217.8 53
+  115.0539 1571843.8 98
+  115.0862 2657396.8 166
+  116.0704 461746.9 28
+  117.0695 4083714 256
+  120.0568 249164.6 15
+  120.0805 676292.5 42
+  126.091 204954.2 12
+  127.0863 323605 20
+  130.0495 833601.3 52
+  130.097 455704.3 28
+  131.0853 533687 33
+  135.08 15910800 999
+  136.075 319091.6 20
+  140.0812 748833.9 47
+  141.0653 1362910.9 85
+  152.0698 813633.3 51
+  153.1016 986522.9 61
+  157.1079 942487.5 59
+  163.0855 720230.6 45
+  163.1108 1334667.9 83
+  165.1016 512081.2 32
+  174.1338 484547.8 30
+  180.1122 308662.8 19
+  181.0959 3169315.5 198
+  182.0803 493375.3 30
+  182.1021 453306.1 28
+  198.1226 303487.3 19
+  199.1061 245935.5 15
+  209.0904 1697286.8 106
+  210.0739 407593.1 25
+  227.1008 2642408.2 165
+  253.0796 500028.5 31
+//
diff --git a/Eawag/MSBNK-EAWAG-ED086108.txt b/Eawag/MSBNK-EAWAG-ED086108.txt
new file mode 100644
index 0000000000..65d30b61f8
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED086108.txt
@@ -0,0 +1,137 @@
+ACCESSION: MSBNK-EAWAG-ED086108
+RECORD_TITLE: Nodularin-R; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], K. Thomas [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.4224/crm.2013.nodr.20070214
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 861
+CH$NAME: Nodularin-R
+CH$NAME: Nodularin R
+CH$NAME: (2Z,5R,6S,9S,12S,13S,16R)-9-[3-(diaminomethylideneamino)propyl]-2-ethylidene-12-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,6,13-trimethyl-3,7,10,14,19-pentaoxo-1,4,8,11,15-pentazacyclononadecane-5,16-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C41H60N8O10
+CH$EXACT_MASS: 824.4432401
+CH$SMILES: C/C=C\1/C(=O)N[C@H]([C@@H](C(=O)N[C@H](C(=O)N[C@H]([C@@H](C(=O)N[C@H](CCC(=O)N1C)C(=O)O)C)/C=C/C(=C/[C@H](C)[C@H](CC2=CC=CC=C2)OC)/C)CCCN=C(N)N)C)C(=O)O
+CH$IUPAC: InChI=1S/C41H60N8O10/c1-8-31-38(54)48-34(40(57)58)26(5)36(52)46-29(15-12-20-44-41(42)43)37(53)45-28(25(4)35(51)47-30(39(55)56)18-19-33(50)49(31)6)17-16-23(2)21-24(3)32(59-7)22-27-13-10-9-11-14-27/h8-11,13-14,16-17,21,24-26,28-30,32,34H,12,15,18-20,22H2,1-7H3,(H,45,53)(H,46,52)(H,47,51)(H,48,54)(H,55,56)(H,57,58)(H4,42,43,44)/b17-16+,23-21+,31-8-/t24-,25-,26-,28-,29-,30+,32-,34+/m0/s1
+CH$LINK: CAS 118399-22-7
+CH$LINK: CHEBI 80043
+CH$LINK: KEGG C15713
+CH$LINK: PUBCHEM CID:14217092
+CH$LINK: INCHIKEY IXBQSRWSVIBXNC-HSKGSTCASA-N
+CH$LINK: CHEMSPIDER 10471625
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 86-863
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 14.505 min
+MS$FOCUSED_ION: BASE_PEAK 825.4478
+MS$FOCUSED_ION: PRECURSOR_M/Z 825.4505
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0pb9-1900000000-83ae7d179fe380bc5c93
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  91.0541 C7H7+ 1 91.0542 -1.44
+  93.0697 C7H9+ 1 93.0699 -1.6
+  94.065 C6H8N+ 1 94.0651 -1.66
+  95.049 C6H7O+ 1 95.0491 -1.06
+  95.0853 C7H11+ 1 95.0855 -2.52
+  96.0806 C6H10N+ 1 96.0808 -1.8
+  97.0758 C5H9N2+ 1 97.076 -1.92
+  98.06 C5H8NO+ 1 98.06 -0.87
+  99.0189 C3H3N2O2+ 1 99.0189 -0.11
+  100.0754 C5H10NO+ 1 100.0757 -2.69
+  102.0463 C8H6+ 1 102.0464 -1.3
+  103.054 C8H7+ 1 103.0542 -2.54
+  105.0696 C8H9+ 1 105.0699 -2.81
+  107.0852 C8H11+ 1 107.0855 -3.16
+  108.0804 C7H10N+ 1 108.0808 -3.82
+  109.0645 C7H9O+ 1 109.0648 -3.1
+  112.0864 C5H10N3+ 1 112.0869 -4.46
+  113.0707 C5H9N2O+ 1 113.0709 -2.11
+  114.1024 C5H12N3+ 1 114.1026 -1.47
+  115.0538 C9H7+ 1 115.0542 -3.38
+  115.0862 C5H11N2O+ 1 115.0866 -3.24
+  117.0695 C9H9+ 1 117.0699 -3.38
+  119.0852 C9H11+ 1 119.0855 -2.45
+  120.0804 C8H10N+ 1 120.0808 -3.21
+  125.0706 C6H9N2O+ 1 125.0709 -3.05
+  126.0911 C7H12NO+ 1 126.0913 -1.55
+  127.0862 C6H11N2O+ 1 127.0866 -3.38
+  130.0493 C5H8NO3+ 1 130.0499 -4.66
+  130.0975 C5H12N3O+ 1 130.0975 -0.17
+  131.085 C10H11+ 1 131.0855 -3.98
+  135.0799 C9H11O+ 1 135.0804 -3.65
+  135.0911 C8H11N2+ 1 135.0917 -3.9
+  136.0753 C8H10NO+ 1 136.0757 -3.23
+  141.0651 C4H7N5O+ 1 141.0645 3.99
+  145.1007 C11H13+ 1 145.1012 -3.47
+  152.0699 C6H8N4O+ 2 152.0693 4.22
+  153.1013 C6H11N5+ 1 153.1009 2.4
+  157.1076 C6H13N4O+ 3 157.1084 -4.95
+  163.0859 C7H9N5+ 2 163.0852 4.31
+  163.1112 C9H13N3+ 2 163.1104 4.93
+  165.1015 C7H11N5+ 2 165.1009 3.63
+  181.0959 C7H11N5O+ 1 181.0958 0.74
+  182.0799 C7H10N4O2+ 1 182.0798 0.36
+  209.0904 C8H11N5O2+ 3 209.0907 -1.61
+  227.101 C8H13N5O3+ 3 227.1013 -1.43
+PK$NUM_PEAK: 45
+PK$PEAK: m/z int. rel.int.
+  91.0541 5962300.5 280
+  93.0697 3949052.8 185
+  94.065 475502.7 22
+  95.049 1664623.6 78
+  95.0853 284908.9 13
+  96.0806 271091.8 12
+  97.0758 1463268.6 68
+  98.06 1307895.9 61
+  99.0189 277094.4 13
+  100.0754 369088.8 17
+  102.0463 265309.6 12
+  103.054 21263756 999
+  105.0696 11898437 559
+  107.0852 10098242 474
+  108.0804 286911.7 13
+  109.0645 475119.6 22
+  112.0864 2726770 128
+  113.0707 653204.6 30
+  114.1024 545582.1 25
+  115.0538 2863546 134
+  115.0862 1812618.5 85
+  117.0695 4870815 228
+  119.0852 512623.8 24
+  120.0804 542772.5 25
+  125.0706 838039.6 39
+  126.0911 272187.4 12
+  127.0862 437008.1 20
+  130.0493 681995.2 32
+  130.0975 340603.1 16
+  131.085 517300.8 24
+  135.0799 9098281 427
+  135.0911 765603.7 35
+  136.0753 392276.8 18
+  141.0651 1135438.9 53
+  145.1007 344650.2 16
+  152.0699 418236.6 19
+  153.1013 1229802.4 57
+  157.1076 560621.8 26
+  163.0859 907287.1 42
+  163.1112 463096.4 21
+  165.1015 245850 11
+  181.0959 3058135.2 143
+  182.0799 544308.9 25
+  209.0904 1259751.4 59
+  227.101 794427.2 37
+//
diff --git a/Eawag/MSBNK-EAWAG-ED086109.txt b/Eawag/MSBNK-EAWAG-ED086109.txt
new file mode 100644
index 0000000000..7ae137fd3d
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED086109.txt
@@ -0,0 +1,115 @@
+ACCESSION: MSBNK-EAWAG-ED086109
+RECORD_TITLE: Nodularin-R; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], K. Thomas [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.4224/crm.2013.nodr.20070214
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 861
+CH$NAME: Nodularin-R
+CH$NAME: Nodularin R
+CH$NAME: (2Z,5R,6S,9S,12S,13S,16R)-9-[3-(diaminomethylideneamino)propyl]-2-ethylidene-12-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,6,13-trimethyl-3,7,10,14,19-pentaoxo-1,4,8,11,15-pentazacyclononadecane-5,16-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C41H60N8O10
+CH$EXACT_MASS: 824.4432401
+CH$SMILES: C/C=C\1/C(=O)N[C@H]([C@@H](C(=O)N[C@H](C(=O)N[C@H]([C@@H](C(=O)N[C@H](CCC(=O)N1C)C(=O)O)C)/C=C/C(=C/[C@H](C)[C@H](CC2=CC=CC=C2)OC)/C)CCCN=C(N)N)C)C(=O)O
+CH$IUPAC: InChI=1S/C41H60N8O10/c1-8-31-38(54)48-34(40(57)58)26(5)36(52)46-29(15-12-20-44-41(42)43)37(53)45-28(25(4)35(51)47-30(39(55)56)18-19-33(50)49(31)6)17-16-23(2)21-24(3)32(59-7)22-27-13-10-9-11-14-27/h8-11,13-14,16-17,21,24-26,28-30,32,34H,12,15,18-20,22H2,1-7H3,(H,45,53)(H,46,52)(H,47,51)(H,48,54)(H,55,56)(H,57,58)(H4,42,43,44)/b17-16+,23-21+,31-8-/t24-,25-,26-,28-,29-,30+,32-,34+/m0/s1
+CH$LINK: CAS 118399-22-7
+CH$LINK: CHEBI 80043
+CH$LINK: KEGG C15713
+CH$LINK: PUBCHEM CID:14217092
+CH$LINK: INCHIKEY IXBQSRWSVIBXNC-HSKGSTCASA-N
+CH$LINK: CHEMSPIDER 10471625
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 86-863
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 14.505 min
+MS$FOCUSED_ION: BASE_PEAK 825.4478
+MS$FOCUSED_ION: PRECURSOR_M/Z 825.4505
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0zfr-2900000000-22310bb9771144b46076
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  91.0541 C7H7+ 1 91.0542 -1.77
+  93.0697 C7H9+ 1 93.0699 -2.09
+  94.0652 C6H8N+ 1 94.0651 1.17
+  95.049 C6H7O+ 1 95.0491 -1.3
+  95.0601 C5H7N2+ 1 95.0604 -2.46
+  97.0759 C5H9N2+ 1 97.076 -1.45
+  98.0599 C5H8NO+ 1 98.06 -1.72
+  99.0187 C3H3N2O2+ 1 99.0189 -1.73
+  102.046 C8H6+ 1 102.0464 -3.47
+  103.0539 C8H7+ 1 103.0542 -2.76
+  105.0696 C8H9+ 1 105.0699 -3.03
+  107.0852 C8H11+ 1 107.0855 -3.3
+  108.0804 C7H10N+ 1 108.0808 -3.82
+  109.0645 C7H9O+ 1 109.0648 -2.89
+  112.0865 C5H10N3+ 1 112.0869 -3.71
+  113.0231 C5H5O3+ 1 113.0233 -1.54
+  114.1024 C5H12N3+ 1 114.1026 -1.94
+  115.0538 C9H7+ 1 115.0542 -4.11
+  115.0862 C5H11N2O+ 1 115.0866 -3.11
+  117.0694 C9H9+ 1 117.0699 -4.49
+  119.0851 C9H11+ 1 119.0855 -3.35
+  120.0567 C8H8O+ 1 120.057 -2.46
+  120.0806 C8H10N+ 1 120.0808 -1.69
+  124.0752 C7H10NO+ 1 124.0757 -4.25
+  125.0704 C6H9N2O+ 1 125.0709 -4.27
+  127.0862 C6H11N2O+ 1 127.0866 -3.26
+  130.0497 C5H8NO3+ 1 130.0499 -1.6
+  131.0851 C10H11+ 1 131.0855 -3.39
+  135.0799 C9H11O+ 1 135.0804 -3.76
+  135.0916 C8H11N2+ 1 135.0917 -0.74
+  136.075 C8H10NO+ 1 136.0757 -4.8
+  141.065 C4H7N5O+ 1 141.0645 3.67
+  153.1016 C6H11N5+ 2 153.1009 4.29
+  181.096 C7H11N5O+ 1 181.0958 1
+PK$NUM_PEAK: 34
+PK$PEAK: m/z int. rel.int.
+  91.0541 7571430.5 265
+  93.0697 3144594 110
+  94.0652 585970.9 20
+  95.049 2721384.2 95
+  95.0601 720134.4 25
+  97.0759 1353263.9 47
+  98.0599 1450042.9 50
+  99.0187 381728.9 13
+  102.046 408147.5 14
+  103.0539 28445468 999
+  105.0696 11508439 404
+  107.0852 7681493 269
+  108.0804 354519.4 12
+  109.0645 775429.3 27
+  112.0865 1765527.8 62
+  113.0231 643432.2 22
+  114.1024 328309 11
+  115.0538 3473033.8 121
+  115.0862 711292.3 24
+  117.0694 3246794.8 114
+  119.0851 517096.2 18
+  120.0567 619064.5 21
+  120.0806 463374.2 16
+  124.0752 289301.2 10
+  125.0704 727785 25
+  127.0862 446426.3 15
+  130.0497 651334 22
+  131.0851 373375.5 13
+  135.0799 3931361 138
+  135.0916 1055309.9 37
+  136.075 337101.6 11
+  141.065 951840.9 33
+  153.1016 1014775.9 35
+  181.096 1959625 68
+//
diff --git a/Eawag/MSBNK-EAWAG-ED086151.txt b/Eawag/MSBNK-EAWAG-ED086151.txt
new file mode 100644
index 0000000000..99cf3cbf89
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED086151.txt
@@ -0,0 +1,51 @@
+ACCESSION: MSBNK-EAWAG-ED086151
+RECORD_TITLE: Nodularin-R; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], K. Thomas [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.4224/crm.2013.nodr.20070214
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 861
+CH$NAME: Nodularin-R
+CH$NAME: Nodularin R
+CH$NAME: (2Z,5R,6S,9S,12S,13S,16R)-9-[3-(diaminomethylideneamino)propyl]-2-ethylidene-12-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,6,13-trimethyl-3,7,10,14,19-pentaoxo-1,4,8,11,15-pentazacyclononadecane-5,16-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C41H60N8O10
+CH$EXACT_MASS: 824.4432401
+CH$SMILES: C/C=C\1/C(=O)N[C@H]([C@@H](C(=O)N[C@H](C(=O)N[C@H]([C@@H](C(=O)N[C@H](CCC(=O)N1C)C(=O)O)C)/C=C/C(=C/[C@H](C)[C@H](CC2=CC=CC=C2)OC)/C)CCCN=C(N)N)C)C(=O)O
+CH$IUPAC: InChI=1S/C41H60N8O10/c1-8-31-38(54)48-34(40(57)58)26(5)36(52)46-29(15-12-20-44-41(42)43)37(53)45-28(25(4)35(51)47-30(39(55)56)18-19-33(50)49(31)6)17-16-23(2)21-24(3)32(59-7)22-27-13-10-9-11-14-27/h8-11,13-14,16-17,21,24-26,28-30,32,34H,12,15,18-20,22H2,1-7H3,(H,45,53)(H,46,52)(H,47,51)(H,48,54)(H,55,56)(H,57,58)(H4,42,43,44)/b17-16+,23-21+,31-8-/t24-,25-,26-,28-,29-,30+,32-,34+/m0/s1
+CH$LINK: CAS 118399-22-7
+CH$LINK: CHEBI 80043
+CH$LINK: KEGG C15713
+CH$LINK: PUBCHEM CID:14217092
+CH$LINK: INCHIKEY IXBQSRWSVIBXNC-HSKGSTCASA-N
+CH$LINK: CHEMSPIDER 10471625
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 86-861
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 14.492 min
+MS$FOCUSED_ION: BASE_PEAK 823.4361
+MS$FOCUSED_ION: PRECURSOR_M/Z 823.436
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00di-0000000090-8887bbb18c466b735394
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  805.4258 C41H57N8O9- 1 805.4254 0.53
+  823.4359 C41H59N8O10- 1 823.436 -0.11
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  805.4258 1879007.8 24
+  823.4359 76598768 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED086152.txt b/Eawag/MSBNK-EAWAG-ED086152.txt
new file mode 100644
index 0000000000..50434d14c9
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED086152.txt
@@ -0,0 +1,51 @@
+ACCESSION: MSBNK-EAWAG-ED086152
+RECORD_TITLE: Nodularin-R; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], K. Thomas [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.4224/crm.2013.nodr.20070214
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 861
+CH$NAME: Nodularin-R
+CH$NAME: Nodularin R
+CH$NAME: (2Z,5R,6S,9S,12S,13S,16R)-9-[3-(diaminomethylideneamino)propyl]-2-ethylidene-12-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,6,13-trimethyl-3,7,10,14,19-pentaoxo-1,4,8,11,15-pentazacyclononadecane-5,16-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C41H60N8O10
+CH$EXACT_MASS: 824.4432401
+CH$SMILES: C/C=C\1/C(=O)N[C@H]([C@@H](C(=O)N[C@H](C(=O)N[C@H]([C@@H](C(=O)N[C@H](CCC(=O)N1C)C(=O)O)C)/C=C/C(=C/[C@H](C)[C@H](CC2=CC=CC=C2)OC)/C)CCCN=C(N)N)C)C(=O)O
+CH$IUPAC: InChI=1S/C41H60N8O10/c1-8-31-38(54)48-34(40(57)58)26(5)36(52)46-29(15-12-20-44-41(42)43)37(53)45-28(25(4)35(51)47-30(39(55)56)18-19-33(50)49(31)6)17-16-23(2)21-24(3)32(59-7)22-27-13-10-9-11-14-27/h8-11,13-14,16-17,21,24-26,28-30,32,34H,12,15,18-20,22H2,1-7H3,(H,45,53)(H,46,52)(H,47,51)(H,48,54)(H,55,56)(H,57,58)(H4,42,43,44)/b17-16+,23-21+,31-8-/t24-,25-,26-,28-,29-,30+,32-,34+/m0/s1
+CH$LINK: CAS 118399-22-7
+CH$LINK: CHEBI 80043
+CH$LINK: KEGG C15713
+CH$LINK: PUBCHEM CID:14217092
+CH$LINK: INCHIKEY IXBQSRWSVIBXNC-HSKGSTCASA-N
+CH$LINK: CHEMSPIDER 10471625
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 86-861
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 14.492 min
+MS$FOCUSED_ION: BASE_PEAK 823.4361
+MS$FOCUSED_ION: PRECURSOR_M/Z 823.436
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00di-0000000090-87e03c9907b0dcc4f8bc
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  805.4255 C41H57N8O9- 1 805.4254 0.16
+  823.436 C41H59N8O10- 1 823.436 0.04
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  805.4255 13914878 187
+  823.436 74080808 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED086153.txt b/Eawag/MSBNK-EAWAG-ED086153.txt
new file mode 100644
index 0000000000..bf5429d39c
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED086153.txt
@@ -0,0 +1,63 @@
+ACCESSION: MSBNK-EAWAG-ED086153
+RECORD_TITLE: Nodularin-R; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], K. Thomas [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.4224/crm.2013.nodr.20070214
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 861
+CH$NAME: Nodularin-R
+CH$NAME: Nodularin R
+CH$NAME: (2Z,5R,6S,9S,12S,13S,16R)-9-[3-(diaminomethylideneamino)propyl]-2-ethylidene-12-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,6,13-trimethyl-3,7,10,14,19-pentaoxo-1,4,8,11,15-pentazacyclononadecane-5,16-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C41H60N8O10
+CH$EXACT_MASS: 824.4432401
+CH$SMILES: C/C=C\1/C(=O)N[C@H]([C@@H](C(=O)N[C@H](C(=O)N[C@H]([C@@H](C(=O)N[C@H](CCC(=O)N1C)C(=O)O)C)/C=C/C(=C/[C@H](C)[C@H](CC2=CC=CC=C2)OC)/C)CCCN=C(N)N)C)C(=O)O
+CH$IUPAC: InChI=1S/C41H60N8O10/c1-8-31-38(54)48-34(40(57)58)26(5)36(52)46-29(15-12-20-44-41(42)43)37(53)45-28(25(4)35(51)47-30(39(55)56)18-19-33(50)49(31)6)17-16-23(2)21-24(3)32(59-7)22-27-13-10-9-11-14-27/h8-11,13-14,16-17,21,24-26,28-30,32,34H,12,15,18-20,22H2,1-7H3,(H,45,53)(H,46,52)(H,47,51)(H,48,54)(H,55,56)(H,57,58)(H4,42,43,44)/b17-16+,23-21+,31-8-/t24-,25-,26-,28-,29-,30+,32-,34+/m0/s1
+CH$LINK: CAS 118399-22-7
+CH$LINK: CHEBI 80043
+CH$LINK: KEGG C15713
+CH$LINK: PUBCHEM CID:14217092
+CH$LINK: INCHIKEY IXBQSRWSVIBXNC-HSKGSTCASA-N
+CH$LINK: CHEMSPIDER 10471625
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 86-861
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 14.492 min
+MS$FOCUSED_ION: BASE_PEAK 823.4361
+MS$FOCUSED_ION: PRECURSOR_M/Z 823.436
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-05fr-0000000090-85b14e1d7223c57db10f
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  128.0352 C5H6NO3- 1 128.0353 -1.11
+  691.346 C36H47N6O8- 4 691.3461 -0.18
+  708.3732 C36H50N7O8- 5 708.3726 0.82
+  779.4456 C40H59N8O8- 1 779.4461 -0.66
+  787.4143 C41H55N8O8- 1 787.4148 -0.65
+  788.3999 C41H54N7O9- 1 788.3988 1.28
+  805.4252 C41H57N8O9- 1 805.4254 -0.22
+  823.4354 C41H59N8O10- 1 823.436 -0.63
+PK$NUM_PEAK: 8
+PK$PEAK: m/z int. rel.int.
+  128.0352 1102500.2 29
+  691.346 476186.9 12
+  708.3732 647667.9 17
+  779.4456 1463619.6 39
+  787.4143 2160286.8 58
+  788.3999 1804824.1 49
+  805.4252 33015842 897
+  823.4354 36734628 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED086154.txt b/Eawag/MSBNK-EAWAG-ED086154.txt
new file mode 100644
index 0000000000..c165fac58f
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED086154.txt
@@ -0,0 +1,83 @@
+ACCESSION: MSBNK-EAWAG-ED086154
+RECORD_TITLE: Nodularin-R; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], K. Thomas [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.4224/crm.2013.nodr.20070214
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 861
+CH$NAME: Nodularin-R
+CH$NAME: Nodularin R
+CH$NAME: (2Z,5R,6S,9S,12S,13S,16R)-9-[3-(diaminomethylideneamino)propyl]-2-ethylidene-12-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,6,13-trimethyl-3,7,10,14,19-pentaoxo-1,4,8,11,15-pentazacyclononadecane-5,16-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C41H60N8O10
+CH$EXACT_MASS: 824.4432401
+CH$SMILES: C/C=C\1/C(=O)N[C@H]([C@@H](C(=O)N[C@H](C(=O)N[C@H]([C@@H](C(=O)N[C@H](CCC(=O)N1C)C(=O)O)C)/C=C/C(=C/[C@H](C)[C@H](CC2=CC=CC=C2)OC)/C)CCCN=C(N)N)C)C(=O)O
+CH$IUPAC: InChI=1S/C41H60N8O10/c1-8-31-38(54)48-34(40(57)58)26(5)36(52)46-29(15-12-20-44-41(42)43)37(53)45-28(25(4)35(51)47-30(39(55)56)18-19-33(50)49(31)6)17-16-23(2)21-24(3)32(59-7)22-27-13-10-9-11-14-27/h8-11,13-14,16-17,21,24-26,28-30,32,34H,12,15,18-20,22H2,1-7H3,(H,45,53)(H,46,52)(H,47,51)(H,48,54)(H,55,56)(H,57,58)(H4,42,43,44)/b17-16+,23-21+,31-8-/t24-,25-,26-,28-,29-,30+,32-,34+/m0/s1
+CH$LINK: CAS 118399-22-7
+CH$LINK: CHEBI 80043
+CH$LINK: KEGG C15713
+CH$LINK: PUBCHEM CID:14217092
+CH$LINK: INCHIKEY IXBQSRWSVIBXNC-HSKGSTCASA-N
+CH$LINK: CHEMSPIDER 10471625
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 86-861
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 14.492 min
+MS$FOCUSED_ION: BASE_PEAK 823.4361
+MS$FOCUSED_ION: PRECURSOR_M/Z 823.436
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0a4i-0100000490-1bab0dcd117f99950e96
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  128.0352 C5H6NO3- 1 128.0353 -1
+  138.0671 C6H8N3O- 1 138.0673 -1.47
+  224.1028 C8H12N6O2- 1 224.1027 0.22
+  242.1134 C8H14N6O3- 2 242.1133 0.56
+  298.1398 C11H18N6O4- 2 298.1395 0.92
+  477.2746 C27H35N5O3- 5 477.2745 0.07
+  520.2807 C28H36N6O4- 5 520.2804 0.58
+  555.317 C28H41N7O5- 6 555.3175 -0.84
+  691.3453 C36H47N6O8- 3 691.3461 -1.15
+  708.3717 C36H50N7O8- 2 708.3726 -1.34
+  744.4084 C40H54N7O7- 2 744.409 -0.86
+  762.4199 C40H56N7O8- 1 762.4196 0.48
+  770.3883 C41H52N7O8- 1 770.3883 0
+  779.4456 C40H59N8O8- 1 779.4461 -0.74
+  787.4142 C41H55N8O8- 1 787.4148 -0.81
+  788.4005 C41H54N7O9- 1 788.3988 2.05
+  805.4252 C41H57N8O9- 1 805.4254 -0.22
+  823.4353 C41H59N8O10- 1 823.436 -0.78
+PK$NUM_PEAK: 18
+PK$PEAK: m/z int. rel.int.
+  128.0352 4947546.5 178
+  138.0671 459434.2 16
+  224.1028 583711.4 21
+  242.1134 557456.6 20
+  298.1398 342131.9 12
+  477.2746 277578.7 9
+  520.2807 691600.2 24
+  555.317 451363.7 16
+  691.3453 892472 32
+  708.3717 931888.6 33
+  744.4084 518295.3 18
+  762.4199 1289941 46
+  770.3883 620047.4 22
+  779.4456 2847200.5 102
+  787.4142 6296830 226
+  788.4005 3978298.8 143
+  805.4252 27745030 999
+  823.4353 8793933 316
+//
diff --git a/Eawag/MSBNK-EAWAG-ED086155.txt b/Eawag/MSBNK-EAWAG-ED086155.txt
new file mode 100644
index 0000000000..a60bf5348d
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED086155.txt
@@ -0,0 +1,155 @@
+ACCESSION: MSBNK-EAWAG-ED086155
+RECORD_TITLE: Nodularin-R; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], K. Thomas [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.4224/crm.2013.nodr.20070214
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 861
+CH$NAME: Nodularin-R
+CH$NAME: Nodularin R
+CH$NAME: (2Z,5R,6S,9S,12S,13S,16R)-9-[3-(diaminomethylideneamino)propyl]-2-ethylidene-12-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,6,13-trimethyl-3,7,10,14,19-pentaoxo-1,4,8,11,15-pentazacyclononadecane-5,16-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C41H60N8O10
+CH$EXACT_MASS: 824.4432401
+CH$SMILES: C/C=C\1/C(=O)N[C@H]([C@@H](C(=O)N[C@H](C(=O)N[C@H]([C@@H](C(=O)N[C@H](CCC(=O)N1C)C(=O)O)C)/C=C/C(=C/[C@H](C)[C@H](CC2=CC=CC=C2)OC)/C)CCCN=C(N)N)C)C(=O)O
+CH$IUPAC: InChI=1S/C41H60N8O10/c1-8-31-38(54)48-34(40(57)58)26(5)36(52)46-29(15-12-20-44-41(42)43)37(53)45-28(25(4)35(51)47-30(39(55)56)18-19-33(50)49(31)6)17-16-23(2)21-24(3)32(59-7)22-27-13-10-9-11-14-27/h8-11,13-14,16-17,21,24-26,28-30,32,34H,12,15,18-20,22H2,1-7H3,(H,45,53)(H,46,52)(H,47,51)(H,48,54)(H,55,56)(H,57,58)(H4,42,43,44)/b17-16+,23-21+,31-8-/t24-,25-,26-,28-,29-,30+,32-,34+/m0/s1
+CH$LINK: CAS 118399-22-7
+CH$LINK: CHEBI 80043
+CH$LINK: KEGG C15713
+CH$LINK: PUBCHEM CID:14217092
+CH$LINK: INCHIKEY IXBQSRWSVIBXNC-HSKGSTCASA-N
+CH$LINK: CHEMSPIDER 10471625
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 86-861
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 14.492 min
+MS$FOCUSED_ION: BASE_PEAK 823.4361
+MS$FOCUSED_ION: PRECURSOR_M/Z 823.436
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-004i-0920000000-5363611769531d3c570a
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  96.0454 C5H6NO- 1 96.0455 -0.5
+  98.0609 C5H8NO- 1 98.0611 -2.79
+  110.0247 C5H4NO2- 1 110.0248 -0.57
+  112.0404 C5H6NO2- 1 112.0404 -0.39
+  113.0719 C5H9N2O- 1 113.072 -1.14
+  114.056 C5H8NO2- 1 114.0561 -0.73
+  122.0611 C7H8NO- 1 122.0611 -0.58
+  124.0401 C6H6NO2- 1 124.0404 -2.07
+  127.0511 C5H7N2O2- 1 127.0513 -1.22
+  128.0352 C5H6NO3- 1 128.0353 -0.64
+  130.0509 C5H8NO3- 1 130.051 -0.89
+  131.0863 C10H11- 1 131.0866 -2.5
+  136.0765 C8H10NO- 1 136.0768 -2.44
+  137.0719 C7H9N2O- 1 137.072 -1.17
+  138.0555 C7H8NO2- 1 138.0561 -3.77
+  138.0673 C6H8N3O- 1 138.0673 0.41
+  139.0508 C6H7N2O2- 1 139.0513 -3.28
+  140.0713 C7H10NO2- 1 140.0717 -2.62
+  149.0716 C8H9N2O- 1 149.072 -2.69
+  150.0558 C8H8NO2- 1 150.0561 -1.69
+  151.087 C8H11N2O- 2 151.0877 -4.3
+  163.0871 C9H11N2O- 2 163.0877 -3.59
+  164.0708 C7H8N4O- 1 164.0704 2.83
+  168.1139 C8H14N3O- 1 168.1142 -1.92
+  176.1067 C9H12N4- 1 176.1067 -0.21
+  178.0977 C7H10N6- 1 178.0972 2.46
+  180.1135 C7H12N6- 2 180.1129 3.26
+  181.0974 C7H11N5O- 2 181.0969 2.81
+  184.0607 C6H8N4O3- 2 184.0602 2.61
+  198.1235 C7H14N6O- 1 198.1235 0.27
+  206.0923 C8H10N6O- 1 206.0922 0.66
+  207.076 C8H9N5O2- 1 207.0762 -0.96
+  208.1083 C8H12N6O- 2 208.1078 2.22
+  223.1192 C9H19O6- 3 223.1187 2.35
+  224.1029 C8H12N6O2- 1 224.1027 0.77
+  225.086 C8H11N5O3- 3 225.0867 -3.2
+  231.0874 C10H15O6- 2 231.0874 0.08
+  236.1394 C10H16N6O- 2 236.1391 1.34
+  237.123 C10H15N5O2- 3 237.1231 -0.7
+  240.1458 C9H22NO6- 3 240.1453 2.21
+  242.1135 C8H14N6O3- 2 242.1133 0.93
+  248.114 C10H18NO6- 2 248.114 0.14
+  280.1294 C11H16N6O3- 2 280.1289 1.61
+  280.1697 C17H20N4- 3 280.1693 1.17
+  298.1397 C11H18N6O4- 2 298.1395 0.81
+  370.2499 C22H32N3O2- 4 370.25 -0.24
+  476.2908 C27H36N6O2- 4 476.2905 0.59
+  477.275 C27H35N5O3- 6 477.2745 1.03
+  520.2807 C28H36N6O4- 5 520.2804 0.7
+  555.3174 C28H41N7O5- 5 555.3175 -0.18
+  762.4181 C40H56N7O8- 1 762.4196 -2
+  787.416 C41H55N8O8- 1 787.4148 1.44
+  788.401 C41H54N7O9- 1 788.3988 2.75
+  805.4261 C41H57N8O9- 1 805.4254 0.91
+PK$NUM_PEAK: 54
+PK$PEAK: m/z int. rel.int.
+  96.0454 66993.1 10
+  98.0609 100968 15
+  110.0247 1099600 166
+  112.0404 579427.6 87
+  113.0719 894753.9 135
+  114.056 66859.2 10
+  122.0611 71705 10
+  124.0401 190048.8 28
+  127.0511 238740.3 36
+  128.0352 6615120 999
+  130.0509 206448.6 31
+  131.0863 388479.4 58
+  136.0765 67669.9 10
+  137.0719 1531532.2 231
+  138.0555 696478.2 105
+  138.0673 681616.9 102
+  139.0508 355121.6 53
+  140.0713 99944.4 15
+  149.0716 275254.7 41
+  150.0558 87869.2 13
+  151.087 96935 14
+  163.0871 161886.4 24
+  164.0708 110154.4 16
+  168.1139 174245.1 26
+  176.1067 129498.5 19
+  178.0977 213171 32
+  180.1135 820132.1 123
+  181.0974 1242626.8 187
+  184.0607 440801.5 66
+  198.1235 576057.4 86
+  206.0923 436197.9 65
+  207.076 202101.8 30
+  208.1083 70772.2 10
+  223.1192 439043.2 66
+  224.1029 1539198.8 232
+  225.086 217777.9 32
+  231.0874 276876.2 41
+  236.1394 243517.1 36
+  237.123 337065.3 50
+  240.1458 282551.4 42
+  242.1135 454045.8 68
+  248.114 445589.2 67
+  280.1294 684639.4 103
+  280.1697 141263.5 21
+  298.1397 205551.9 31
+  370.2499 451910 68
+  476.2908 422854.7 63
+  477.275 364804.5 55
+  520.2807 505926.1 76
+  555.3174 203197.6 30
+  762.4181 336454.4 50
+  787.416 746481.4 112
+  788.401 392541.8 59
+  805.4261 801773.3 121
+//
diff --git a/Eawag/MSBNK-EAWAG-ED086156.txt b/Eawag/MSBNK-EAWAG-ED086156.txt
new file mode 100644
index 0000000000..1a25b4468c
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED086156.txt
@@ -0,0 +1,177 @@
+ACCESSION: MSBNK-EAWAG-ED086156
+RECORD_TITLE: Nodularin-R; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], K. Thomas [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.4224/crm.2013.nodr.20070214
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 861
+CH$NAME: Nodularin-R
+CH$NAME: Nodularin R
+CH$NAME: (2Z,5R,6S,9S,12S,13S,16R)-9-[3-(diaminomethylideneamino)propyl]-2-ethylidene-12-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,6,13-trimethyl-3,7,10,14,19-pentaoxo-1,4,8,11,15-pentazacyclononadecane-5,16-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C41H60N8O10
+CH$EXACT_MASS: 824.4432401
+CH$SMILES: C/C=C\1/C(=O)N[C@H]([C@@H](C(=O)N[C@H](C(=O)N[C@H]([C@@H](C(=O)N[C@H](CCC(=O)N1C)C(=O)O)C)/C=C/C(=C/[C@H](C)[C@H](CC2=CC=CC=C2)OC)/C)CCCN=C(N)N)C)C(=O)O
+CH$IUPAC: InChI=1S/C41H60N8O10/c1-8-31-38(54)48-34(40(57)58)26(5)36(52)46-29(15-12-20-44-41(42)43)37(53)45-28(25(4)35(51)47-30(39(55)56)18-19-33(50)49(31)6)17-16-23(2)21-24(3)32(59-7)22-27-13-10-9-11-14-27/h8-11,13-14,16-17,21,24-26,28-30,32,34H,12,15,18-20,22H2,1-7H3,(H,45,53)(H,46,52)(H,47,51)(H,48,54)(H,55,56)(H,57,58)(H4,42,43,44)/b17-16+,23-21+,31-8-/t24-,25-,26-,28-,29-,30+,32-,34+/m0/s1
+CH$LINK: CAS 118399-22-7
+CH$LINK: CHEBI 80043
+CH$LINK: KEGG C15713
+CH$LINK: PUBCHEM CID:14217092
+CH$LINK: INCHIKEY IXBQSRWSVIBXNC-HSKGSTCASA-N
+CH$LINK: CHEMSPIDER 10471625
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 86-861
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 14.492 min
+MS$FOCUSED_ION: BASE_PEAK 823.4361
+MS$FOCUSED_ION: PRECURSOR_M/Z 823.436
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-01u0-0900000000-9d7cf9b18418449cbe1c
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  91.0552 C7H7- 1 91.0553 -0.92
+  96.0454 C5H6NO- 1 96.0455 -1.21
+  98.0611 C5H8NO- 1 98.0611 -0.84
+  102.0563 C4H8NO2- 1 102.0561 2.22
+  108.0818 C7H10N- 1 108.0819 -0.32
+  110.0247 C5H4NO2- 1 110.0248 -0.43
+  111.0562 C5H7N2O- 1 111.0564 -2
+  112.0404 C5H6NO2- 1 112.0404 -0.32
+  112.0767 C6H10NO- 1 112.0768 -1.01
+  113.0719 C5H9N2O- 1 113.072 -1.07
+  114.056 C5H8NO2- 1 114.0561 -0.26
+  122.0484 C6H6N2O- 1 122.0486 -1.12
+  122.061 C7H8NO- 1 122.0611 -1.21
+  122.0977 C8H12N- 1 122.0975 1.29
+  123.0325 C6H5NO2- 1 123.0326 -0.87
+  124.0402 C6H6NO2- 1 124.0404 -1.83
+  124.0766 C7H10NO- 1 124.0768 -1.22
+  126.056 C6H8NO2- 1 126.0561 -0.55
+  127.0513 C5H7N2O2- 1 127.0513 -0.08
+  128.0353 C5H6NO3- 1 128.0353 -0.52
+  130.0985 C5H12N3O- 1 130.0986 -0.51
+  131.0865 C10H11- 1 131.0866 -0.87
+  135.0564 C7H7N2O- 1 135.0564 -0.2
+  136.0513 C6H6N3O- 1 136.0516 -2.17
+  136.0765 C8H10NO- 1 136.0768 -2.22
+  137.0718 C7H9N2O- 1 137.072 -1.73
+  138.0557 C7H8NO2- 1 138.0561 -2.33
+  138.0675 C6H8N3O- 1 138.0673 1.4
+  139.051 C6H7N2O2- 1 139.0513 -2.3
+  140.0712 C7H10NO2- 1 140.0717 -3.28
+  141.0668 C6H9N2O2- 1 141.067 -1.06
+  142.0508 C6H8NO3- 1 142.051 -1.2
+  145.0616 C5H9N2O3- 1 145.0619 -1.7
+  149.0717 C8H9N2O- 1 149.072 -2.08
+  150.0554 C8H8NO2- 2 150.0561 -4.13
+  151.0875 C8H11N2O- 1 151.0877 -1.48
+  152.0713 C8H10NO2- 1 152.0717 -2.49
+  153.1029 C8H13N2O- 1 153.1033 -2.78
+  154.0984 C7H12N3O- 1 154.0986 -1.52
+  156.0776 C6H10N3O2- 1 156.0779 -1.48
+  163.0872 C9H11N2O- 1 163.0877 -3.03
+  168.1137 C8H14N3O- 2 168.1142 -3.19
+  169.0977 C8H13N2O2- 2 169.0983 -3.01
+  176.1073 C9H12N4- 2 176.1067 3.08
+  178.0979 C7H10N6- 2 178.0972 3.49
+  179.0822 C9H11N2O2- 1 179.0826 -2.34
+  180.1135 C7H12N6- 2 180.1129 3.43
+  181.0975 C7H11N5O- 2 181.0969 3.23
+  184.0604 C6H8N4O3- 1 184.0602 1.03
+  186.1236 C6H14N6O- 1 186.1235 1.02
+  198.1237 C7H14N6O- 1 198.1235 1.43
+  206.0926 C8H10N6O- 2 206.0922 2.07
+  207.0768 C8H9N5O2- 2 207.0762 2.94
+  208.1081 C8H12N6O- 1 208.1078 1.41
+  219.1121 C10H13N5O- 3 219.1126 -2.31
+  224.1029 C8H12N6O2- 1 224.1027 0.7
+  236.1386 C10H16N6O- 2 236.1391 -2.09
+  240.1457 C9H22NO6- 3 240.1453 1.89
+  242.1132 C8H14N6O3- 1 242.1133 -0.51
+  248.1141 C10H18NO6- 3 248.114 0.57
+  280.1289 C11H16N6O3- 3 280.1289 -0.02
+  280.1696 C17H20N4- 3 280.1693 0.95
+  338.2225 C19H26N6- 4 338.2224 0.23
+  370.2496 C22H32N3O2- 4 370.25 -0.99
+  476.2908 C27H36N6O2- 4 476.2905 0.59
+PK$NUM_PEAK: 65
+PK$PEAK: m/z int. rel.int.
+  91.0552 68899.9 13
+  96.0454 121248.5 23
+  98.0611 126511.6 24
+  102.0563 93366.5 18
+  108.0818 71069.2 13
+  110.0247 1702745.5 333
+  111.0562 60002.9 11
+  112.0404 838973.2 164
+  112.0767 126378.2 24
+  113.0719 1639857.1 320
+  114.056 89850.8 17
+  122.0484 178276.5 34
+  122.061 90894.3 17
+  122.0977 60311.5 11
+  123.0325 144316.5 28
+  124.0402 173869 34
+  124.0766 71367.7 13
+  126.056 61103.5 11
+  127.0513 274792 53
+  128.0353 5107734.5 999
+  130.0985 115351.1 22
+  131.0865 574878.7 112
+  135.0564 64207.2 12
+  136.0513 67137.3 13
+  136.0765 156526.3 30
+  137.0718 1356301.4 265
+  138.0557 804645.7 157
+  138.0675 311762 60
+  139.051 425081.6 83
+  140.0712 166525 32
+  141.0668 74558.7 14
+  142.0508 71731.3 14
+  145.0616 63992.1 12
+  149.0717 317804.2 62
+  150.0554 138977.4 27
+  151.0875 121790.2 23
+  152.0713 65389.2 12
+  153.1029 170271.4 33
+  154.0984 118544.4 23
+  156.0776 102736.2 20
+  163.0872 233381.7 45
+  168.1137 367712.8 71
+  169.0977 86002.6 16
+  176.1073 201203 39
+  178.0979 248613.7 48
+  179.0822 198681.5 38
+  180.1135 1228777.4 240
+  181.0975 1612602.2 315
+  184.0604 111423.4 21
+  186.1236 123269.8 24
+  198.1237 854799.3 167
+  206.0926 376196.3 73
+  207.0768 191847.9 37
+  208.1081 79926.6 15
+  219.1121 89149.1 17
+  224.1029 681627.2 133
+  236.1386 158329 30
+  240.1457 94690.6 18
+  242.1132 65610.7 12
+  248.1141 193056.2 37
+  280.1289 176185.9 34
+  280.1696 113871.7 22
+  338.2225 454681.3 88
+  370.2496 250053.5 48
+  476.2908 64623.3 12
+//
diff --git a/Eawag/MSBNK-EAWAG-ED086157.txt b/Eawag/MSBNK-EAWAG-ED086157.txt
new file mode 100644
index 0000000000..57c4c86627
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED086157.txt
@@ -0,0 +1,143 @@
+ACCESSION: MSBNK-EAWAG-ED086157
+RECORD_TITLE: Nodularin-R; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], K. Thomas [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.4224/crm.2013.nodr.20070214
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 861
+CH$NAME: Nodularin-R
+CH$NAME: Nodularin R
+CH$NAME: (2Z,5R,6S,9S,12S,13S,16R)-9-[3-(diaminomethylideneamino)propyl]-2-ethylidene-12-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,6,13-trimethyl-3,7,10,14,19-pentaoxo-1,4,8,11,15-pentazacyclononadecane-5,16-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C41H60N8O10
+CH$EXACT_MASS: 824.4432401
+CH$SMILES: C/C=C\1/C(=O)N[C@H]([C@@H](C(=O)N[C@H](C(=O)N[C@H]([C@@H](C(=O)N[C@H](CCC(=O)N1C)C(=O)O)C)/C=C/C(=C/[C@H](C)[C@H](CC2=CC=CC=C2)OC)/C)CCCN=C(N)N)C)C(=O)O
+CH$IUPAC: InChI=1S/C41H60N8O10/c1-8-31-38(54)48-34(40(57)58)26(5)36(52)46-29(15-12-20-44-41(42)43)37(53)45-28(25(4)35(51)47-30(39(55)56)18-19-33(50)49(31)6)17-16-23(2)21-24(3)32(59-7)22-27-13-10-9-11-14-27/h8-11,13-14,16-17,21,24-26,28-30,32,34H,12,15,18-20,22H2,1-7H3,(H,45,53)(H,46,52)(H,47,51)(H,48,54)(H,55,56)(H,57,58)(H4,42,43,44)/b17-16+,23-21+,31-8-/t24-,25-,26-,28-,29-,30+,32-,34+/m0/s1
+CH$LINK: CAS 118399-22-7
+CH$LINK: CHEBI 80043
+CH$LINK: KEGG C15713
+CH$LINK: PUBCHEM CID:14217092
+CH$LINK: INCHIKEY IXBQSRWSVIBXNC-HSKGSTCASA-N
+CH$LINK: CHEMSPIDER 10471625
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 86-861
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 14.492 min
+MS$FOCUSED_ION: BASE_PEAK 823.4361
+MS$FOCUSED_ION: PRECURSOR_M/Z 823.436
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03fr-0900000000-72b9bccf22d8758bc611
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  91.0552 C7H7- 1 91.0553 -1.25
+  96.0453 C5H6NO- 1 96.0455 -2.17
+  98.0608 C5H8NO- 1 98.0611 -3.49
+  102.0562 C4H8NO2- 1 102.0561 1.24
+  108.0818 C7H10N- 1 108.0819 -1.02
+  109.0407 C5H5N2O- 1 109.0407 -0.77
+  110.0247 C5H4NO2- 1 110.0248 -0.84
+  111.0328 C5H5NO2- 1 111.0326 1.69
+  111.0563 C5H7N2O- 1 111.0564 -0.49
+  112.0404 C5H6NO2- 1 112.0404 -0.32
+  112.0768 C6H10NO- 1 112.0768 0.15
+  113.072 C5H9N2O- 1 113.072 -0.73
+  114.0559 C5H8NO2- 1 114.0561 -1.33
+  121.0531 C7H7NO- 1 121.0533 -2
+  122.0485 C6H6N2O- 1 122.0486 -0.62
+  122.0608 C7H8NO- 1 122.0611 -2.64
+  122.0974 C8H12N- 1 122.0975 -1.09
+  123.0324 C6H5NO2- 1 123.0326 -1.12
+  123.0563 C6H7N2O- 1 123.0564 -1.04
+  124.0766 C7H10NO- 1 124.0768 -1.65
+  127.0511 C5H7N2O2- 1 127.0513 -1.7
+  128.0353 C5H6NO3- 1 128.0353 -0.52
+  130.0983 C5H12N3O- 1 130.0986 -1.92
+  131.0865 C10H11- 1 131.0866 -1.21
+  135.056 C7H7N2O- 1 135.0564 -2.57
+  136.0518 C6H6N3O- 1 136.0516 1.19
+  137.0718 C7H9N2O- 1 137.072 -1.51
+  138.0557 C7H8NO2- 1 138.0561 -2.67
+  138.0675 C6H8N3O- 1 138.0673 1.29
+  139.0511 C6H7N2O2- 1 139.0513 -1.2
+  140.0713 C7H10NO2- 1 140.0717 -3.17
+  140.0831 C6H10N3O- 1 140.0829 0.95
+  149.0484 C8H7NO2- 1 149.0482 1.34
+  149.0715 C8H9N2O- 1 149.072 -3.41
+  151.0871 C8H11N2O- 1 151.0877 -3.7
+  153.1028 C8H13N2O- 1 153.1033 -3.58
+  154.0979 C7H12N3O- 2 154.0986 -4.29
+  156.0773 C6H10N3O2- 1 156.0779 -3.53
+  163.0632 C7H7N4O- 2 163.0625 3.93
+  163.0871 C9H11N2O- 2 163.0877 -3.78
+  164.0711 C9H10NO2- 2 164.0717 -3.68
+  168.1136 C8H14N3O- 2 168.1142 -3.56
+  171.1171 C13H15- 1 171.1179 -4.83
+  180.1134 C7H12N6- 2 180.1129 3.01
+  181.0974 C7H11N5O- 2 181.0969 2.47
+  198.1238 C7H14N6O- 2 198.1235 1.81
+  206.0923 C8H10N6O- 1 206.0922 0.88
+  221.1161 C11H15N3O2- 2 221.117 -3.98
+PK$NUM_PEAK: 48
+PK$PEAK: m/z int. rel.int.
+  91.0552 85977.7 27
+  96.0453 133915 42
+  98.0608 98813.3 31
+  102.0562 71397.3 22
+  108.0818 62714.3 19
+  109.0407 72629.9 23
+  110.0247 1629645 517
+  111.0328 37659.3 11
+  111.0563 83803.8 26
+  112.0404 630676 200
+  112.0768 160666.7 50
+  113.072 1328577.5 421
+  114.0559 39473.2 12
+  121.0531 69365.1 22
+  122.0485 246969.2 78
+  122.0608 83232.9 26
+  122.0974 135991.8 43
+  123.0324 225081.7 71
+  123.0563 46952.6 14
+  124.0766 82920.5 26
+  127.0511 213491.4 67
+  128.0353 3148581 999
+  130.0983 172889 54
+  131.0865 340043.2 107
+  135.056 91717.9 29
+  136.0518 40594.6 12
+  137.0718 792745.4 251
+  138.0557 627010.9 198
+  138.0675 121779.6 38
+  139.0511 314990.2 99
+  140.0713 118116.6 37
+  140.0831 68962.5 21
+  149.0484 37881.8 12
+  149.0715 147063.5 46
+  151.0871 131101.3 41
+  153.1028 194384.7 61
+  154.0979 155440 49
+  156.0773 101938.8 32
+  163.0632 51546.1 16
+  163.0871 222091.2 70
+  164.0711 265728.2 84
+  168.1136 364655.5 115
+  171.1171 83051.6 26
+  180.1134 772696.2 245
+  181.0974 1000763.2 317
+  198.1238 472695.5 149
+  206.0923 201881.1 64
+  221.1161 60567.7 19
+//
diff --git a/Eawag/MSBNK-EAWAG-ED086158.txt b/Eawag/MSBNK-EAWAG-ED086158.txt
new file mode 100644
index 0000000000..17a6e1155d
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED086158.txt
@@ -0,0 +1,135 @@
+ACCESSION: MSBNK-EAWAG-ED086158
+RECORD_TITLE: Nodularin-R; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], K. Thomas [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.4224/crm.2013.nodr.20070214
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 861
+CH$NAME: Nodularin-R
+CH$NAME: Nodularin R
+CH$NAME: (2Z,5R,6S,9S,12S,13S,16R)-9-[3-(diaminomethylideneamino)propyl]-2-ethylidene-12-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,6,13-trimethyl-3,7,10,14,19-pentaoxo-1,4,8,11,15-pentazacyclononadecane-5,16-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C41H60N8O10
+CH$EXACT_MASS: 824.4432401
+CH$SMILES: C/C=C\1/C(=O)N[C@H]([C@@H](C(=O)N[C@H](C(=O)N[C@H]([C@@H](C(=O)N[C@H](CCC(=O)N1C)C(=O)O)C)/C=C/C(=C/[C@H](C)[C@H](CC2=CC=CC=C2)OC)/C)CCCN=C(N)N)C)C(=O)O
+CH$IUPAC: InChI=1S/C41H60N8O10/c1-8-31-38(54)48-34(40(57)58)26(5)36(52)46-29(15-12-20-44-41(42)43)37(53)45-28(25(4)35(51)47-30(39(55)56)18-19-33(50)49(31)6)17-16-23(2)21-24(3)32(59-7)22-27-13-10-9-11-14-27/h8-11,13-14,16-17,21,24-26,28-30,32,34H,12,15,18-20,22H2,1-7H3,(H,45,53)(H,46,52)(H,47,51)(H,48,54)(H,55,56)(H,57,58)(H4,42,43,44)/b17-16+,23-21+,31-8-/t24-,25-,26-,28-,29-,30+,32-,34+/m0/s1
+CH$LINK: CAS 118399-22-7
+CH$LINK: CHEBI 80043
+CH$LINK: KEGG C15713
+CH$LINK: PUBCHEM CID:14217092
+CH$LINK: INCHIKEY IXBQSRWSVIBXNC-HSKGSTCASA-N
+CH$LINK: CHEMSPIDER 10471625
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 86-861
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 14.492 min
+MS$FOCUSED_ION: BASE_PEAK 823.4361
+MS$FOCUSED_ION: PRECURSOR_M/Z 823.436
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03fr-0900000000-d5c191c6264bc1de9892
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  91.0554 C7H7- 1 91.0553 0.68
+  95.0252 C4H3N2O- 1 95.0251 0.87
+  96.0452 C5H6NO- 1 96.0455 -2.8
+  98.0611 C5H8NO- 1 98.0611 0.01
+  101.0722 C4H9N2O- 1 101.072 1.55
+  102.0564 C4H8NO2- 1 102.0561 2.96
+  108.0458 C6H6NO- 1 108.0455 3.08
+  109.0409 C5H5N2O- 1 109.0407 1.12
+  110.0247 C5H4NO2- 1 110.0248 -0.77
+  111.0566 C5H7N2O- 1 111.0564 1.71
+  112.0403 C5H6NO2- 1 112.0404 -0.52
+  112.0768 C6H10NO- 1 112.0768 0.08
+  113.0719 C5H9N2O- 1 113.072 -0.87
+  121.0535 C7H7NO- 1 121.0533 1.53
+  122.0487 C6H6N2O- 1 122.0486 1.25
+  122.0612 C7H8NO- 1 122.0611 0.48
+  122.0975 C8H12N- 1 122.0975 -0.4
+  123.0326 C6H5NO2- 1 123.0326 0
+  123.0565 C6H7N2O- 1 123.0564 0.57
+  124.0404 C6H6NO2- 1 124.0404 -0.35
+  127.0512 C5H7N2O2- 1 127.0513 -0.98
+  128.0352 C5H6NO3- 1 128.0353 -0.88
+  130.0986 C5H12N3O- 1 130.0986 -0.04
+  131.0865 C10H11- 1 131.0866 -0.63
+  136.0403 C7H6NO2- 1 136.0404 -0.69
+  136.0521 C6H6N3O- 1 136.0516 3.32
+  137.0718 C7H9N2O- 1 137.072 -1.84
+  138.0558 C7H8NO2- 1 138.0561 -1.89
+  138.0673 C6H8N3O- 1 138.0673 0.18
+  139.0511 C6H7N2O2- 1 139.0513 -1.2
+  140.0712 C7H10NO2- 1 140.0717 -3.5
+  140.0829 C6H10N3O- 1 140.0829 -0.36
+  141.0668 C6H9N2O2- 1 141.067 -1.39
+  149.0483 C8H7NO2- 1 149.0482 0.42
+  149.072 C8H9N2O- 1 149.072 -0.44
+  153.1028 C8H13N2O- 1 153.1033 -3.68
+  156.0776 C6H10N3O2- 1 156.0779 -1.67
+  163.0873 C9H11N2O- 1 163.0877 -2.66
+  164.0712 C9H10NO2- 2 164.0717 -3.31
+  166.0748 C8H10N2O2- 1 166.0748 -0.06
+  168.1136 C8H14N3O- 2 168.1142 -4.01
+  180.1135 C7H12N6- 2 180.1129 3.1
+  181.0975 C7H11N5O- 2 181.0969 3.14
+  198.1237 C7H14N6O- 1 198.1235 1.35
+PK$NUM_PEAK: 44
+PK$PEAK: m/z int. rel.int.
+  91.0554 55681.8 29
+  95.0252 59501.9 31
+  96.0452 126304.3 67
+  98.0611 55028.8 29
+  101.0722 45726.8 24
+  102.0564 55888.3 29
+  108.0458 65746.5 35
+  109.0409 73693.2 39
+  110.0247 1479583.8 793
+  111.0566 82134.7 44
+  112.0403 511335.1 274
+  112.0768 137819.9 73
+  113.0719 788222.6 422
+  121.0535 55559.4 29
+  122.0487 238294.5 127
+  122.0612 61294 32
+  122.0975 120042.7 64
+  123.0326 252063.5 135
+  123.0565 52573.5 28
+  124.0404 81358 43
+  127.0512 182751 98
+  128.0352 1862717.6 999
+  130.0986 168816 90
+  131.0865 135122.2 72
+  136.0403 31585.5 16
+  136.0521 35585.8 19
+  137.0718 447869.2 240
+  138.0558 433235 232
+  138.0673 51219.8 27
+  139.0511 192857.9 103
+  140.0712 52548.6 28
+  140.0829 43029.7 23
+  141.0668 58344 31
+  149.0483 49932.2 26
+  149.072 60763.4 32
+  153.1028 165574.5 88
+  156.0776 56374.3 30
+  163.0873 105708.2 56
+  164.0712 182629.2 97
+  166.0748 54117.9 29
+  168.1136 322601.4 173
+  180.1135 340297 182
+  181.0975 594864.2 319
+  198.1237 146837.7 78
+//
diff --git a/Eawag/MSBNK-EAWAG-ED086159.txt b/Eawag/MSBNK-EAWAG-ED086159.txt
new file mode 100644
index 0000000000..6374fa0532
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED086159.txt
@@ -0,0 +1,111 @@
+ACCESSION: MSBNK-EAWAG-ED086159
+RECORD_TITLE: Nodularin-R; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], K. Thomas [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.4224/crm.2013.nodr.20070214
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 861
+CH$NAME: Nodularin-R
+CH$NAME: Nodularin R
+CH$NAME: (2Z,5R,6S,9S,12S,13S,16R)-9-[3-(diaminomethylideneamino)propyl]-2-ethylidene-12-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,6,13-trimethyl-3,7,10,14,19-pentaoxo-1,4,8,11,15-pentazacyclononadecane-5,16-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C41H60N8O10
+CH$EXACT_MASS: 824.4432401
+CH$SMILES: C/C=C\1/C(=O)N[C@H]([C@@H](C(=O)N[C@H](C(=O)N[C@H]([C@@H](C(=O)N[C@H](CCC(=O)N1C)C(=O)O)C)/C=C/C(=C/[C@H](C)[C@H](CC2=CC=CC=C2)OC)/C)CCCN=C(N)N)C)C(=O)O
+CH$IUPAC: InChI=1S/C41H60N8O10/c1-8-31-38(54)48-34(40(57)58)26(5)36(52)46-29(15-12-20-44-41(42)43)37(53)45-28(25(4)35(51)47-30(39(55)56)18-19-33(50)49(31)6)17-16-23(2)21-24(3)32(59-7)22-27-13-10-9-11-14-27/h8-11,13-14,16-17,21,24-26,28-30,32,34H,12,15,18-20,22H2,1-7H3,(H,45,53)(H,46,52)(H,47,51)(H,48,54)(H,55,56)(H,57,58)(H4,42,43,44)/b17-16+,23-21+,31-8-/t24-,25-,26-,28-,29-,30+,32-,34+/m0/s1
+CH$LINK: CAS 118399-22-7
+CH$LINK: CHEBI 80043
+CH$LINK: KEGG C15713
+CH$LINK: PUBCHEM CID:14217092
+CH$LINK: INCHIKEY IXBQSRWSVIBXNC-HSKGSTCASA-N
+CH$LINK: CHEMSPIDER 10471625
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 86-861
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 14.492 min
+MS$FOCUSED_ION: BASE_PEAK 823.4361
+MS$FOCUSED_ION: PRECURSOR_M/Z 823.436
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03fr-0900000000-3653c82b7dd724eeb388
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  95.0254 C4H3N2O- 1 95.0251 3.04
+  95.0375 C5H5NO- 1 95.0377 -1.97
+  98.0614 C5H8NO- 1 98.0611 2.97
+  102.0559 C4H8NO2- 1 102.0561 -1.3
+  108.0459 C6H6NO- 1 108.0455 3.64
+  110.0247 C5H4NO2- 1 110.0248 -0.7
+  111.0565 C5H7N2O- 1 111.0564 0.89
+  112.0403 C5H6NO2- 1 112.0404 -0.87
+  112.0768 C6H10NO- 1 112.0768 0.35
+  113.0719 C5H9N2O- 1 113.072 -0.8
+  121.0411 C6H5N2O- 1 121.0407 2.63
+  122.0487 C6H6N2O- 1 122.0486 1.19
+  122.0974 C8H12N- 1 122.0975 -0.65
+  123.0324 C6H5NO2- 1 123.0326 -1.12
+  124.0403 C6H6NO2- 1 124.0404 -0.96
+  128.0353 C5H6NO3- 1 128.0353 -0.4
+  130.0989 C5H12N3O- 1 130.0986 2.54
+  135.056 C7H7N2O- 1 135.0564 -2.68
+  136.0403 C7H6NO2- 1 136.0404 -0.8
+  136.0768 C8H10NO- 1 136.0768 0.14
+  137.0483 C7H7NO2- 1 137.0482 0.21
+  137.0717 C7H9N2O- 1 137.072 -2.51
+  138.0559 C7H8NO2- 1 138.0561 -1.12
+  149.0483 C8H7NO2- 1 149.0482 0.42
+  150.0555 C8H8NO2- 1 150.0561 -3.62
+  153.1028 C8H13N2O- 1 153.1033 -3.58
+  163.0872 C9H11N2O- 1 163.0877 -2.94
+  164.0714 C9H10NO2- 1 164.0717 -2.01
+  168.1139 C8H14N3O- 1 168.1142 -2.1
+  180.1135 C7H12N6- 2 180.1129 3.18
+  181.0974 C7H11N5O- 2 181.0969 2.55
+  206.0932 C8H10N6O- 2 206.0922 4.88
+PK$NUM_PEAK: 32
+PK$PEAK: m/z int. rel.int.
+  95.0254 69403.4 61
+  95.0375 26488.3 23
+  98.0614 28449.8 25
+  102.0559 26215.7 23
+  108.0459 54216.4 48
+  110.0247 1122860.5 999
+  111.0565 61065.2 54
+  112.0403 352884.5 313
+  112.0768 96748.6 86
+  113.0719 379521.3 337
+  121.0411 62801.4 55
+  122.0487 198535.8 176
+  122.0974 61887.4 55
+  123.0324 170323.7 151
+  124.0403 42699.8 37
+  128.0353 935554.4 832
+  130.0989 116882 103
+  135.056 101849.8 90
+  136.0403 51264.8 45
+  136.0768 49107.2 43
+  137.0483 99585.8 88
+  137.0717 203920.5 181
+  138.0559 266699.3 237
+  149.0483 41602.4 37
+  150.0555 35461.3 31
+  153.1028 81428.1 72
+  163.0872 62927.4 55
+  164.0714 126821 112
+  168.1139 217081.3 193
+  180.1135 140688 125
+  181.0974 287003.4 255
+  206.0932 38527 34
+//
diff --git a/Eawag/MSBNK-EAWAG-ED086701.txt b/Eawag/MSBNK-EAWAG-ED086701.txt
new file mode 100644
index 0000000000..dd02abdec4
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED086701.txt
@@ -0,0 +1,43 @@
+ACCESSION: MSBNK-EAWAG-ED086701
+RECORD_TITLE: Anabaenopeptin B; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], V. Rouge [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 867
+CH$NAME: Anabaenopeptin B
+CH$NAME: (2R)-2-[[(3S,6S,9S,12S,15R)-3-benzyl-9-[2-(4-hydroxyphenyl)ethyl]-6,7-dimethyl-2,5,8,11,14-pentaoxo-12-propan-2-yl-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]-5-(diaminomethylideneamino)pentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C41H60N10O9
+CH$EXACT_MASS: 836.4544735
+CH$SMILES: C[C@H]1C(N[C@@H](CC2=CC=CC=C2)C(NCCCC[C@@H](NC(N[C@@H](C(O)=O)CCC/N=C(N)\N)=O)C(N[C@@H](C(C)C)C(N[C@@H](CCC3=CC=C(O)C=C3)C(N1C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C41H60N10O9/c1-24(2)33-37(56)46-30(20-17-26-15-18-28(52)19-16-26)38(57)51(4)25(3)34(53)47-32(23-27-11-6-5-7-12-27)35(54)44-21-9-8-13-29(36(55)50-33)48-41(60)49-31(39(58)59)14-10-22-45-40(42)43/h5-7,11-12,15-16,18-19,24-25,29-33,52H,8-10,13-14,17,20-23H2,1-4H3,(H,44,54)(H,46,56)(H,47,53)(H,50,55)(H,58,59)(H4,42,43,45)(H2,48,49,60)/t25-,29+,30-,31+,32-,33-/m0/s1
+CH$LINK: PUBCHEM CID:155802447
+CH$LINK: INCHIKEY ZDOVFDLIJJGVQM-RRKFYBCGSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 87-875
+AC$CHROMATOGRAPHY: COLUMN_NAME Acwuity UPLC HSS T3 1.8um, 3x100mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 85/15 at 0 min, 0/100 at 21 min, 0/100 at 25 min, 2/98 at 25.1 min, 2/98 at 31 min, 85/15 at 31.1 min, 85/15 at 33 min
+AC$CHROMATOGRAPHY: FLOW_RATE 300 uL/min at 0 min, 650 uL/min at 25.1 min, 300 uL/min at 31.1 min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.087 min
+MS$FOCUSED_ION: BASE_PEAK 419.2323
+MS$FOCUSED_ION: PRECURSOR_M/Z 837.4617
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-000i-0000000090-962fe40fbc3730bf8035
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  837.4602 C41H61N10O9+ 1 837.4617 -1.86
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  837.4602 11003879 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED086702.txt b/Eawag/MSBNK-EAWAG-ED086702.txt
new file mode 100644
index 0000000000..a91f19d53f
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED086702.txt
@@ -0,0 +1,47 @@
+ACCESSION: MSBNK-EAWAG-ED086702
+RECORD_TITLE: Anabaenopeptin B; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], V. Rouge [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 867
+CH$NAME: Anabaenopeptin B
+CH$NAME: (2R)-2-[[(3S,6S,9S,12S,15R)-3-benzyl-9-[2-(4-hydroxyphenyl)ethyl]-6,7-dimethyl-2,5,8,11,14-pentaoxo-12-propan-2-yl-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]-5-(diaminomethylideneamino)pentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C41H60N10O9
+CH$EXACT_MASS: 836.4544735
+CH$SMILES: C[C@H]1C(N[C@@H](CC2=CC=CC=C2)C(NCCCC[C@@H](NC(N[C@@H](C(O)=O)CCC/N=C(N)\N)=O)C(N[C@@H](C(C)C)C(N[C@@H](CCC3=CC=C(O)C=C3)C(N1C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C41H60N10O9/c1-24(2)33-37(56)46-30(20-17-26-15-18-28(52)19-16-26)38(57)51(4)25(3)34(53)47-32(23-27-11-6-5-7-12-27)35(54)44-21-9-8-13-29(36(55)50-33)48-41(60)49-31(39(58)59)14-10-22-45-40(42)43/h5-7,11-12,15-16,18-19,24-25,29-33,52H,8-10,13-14,17,20-23H2,1-4H3,(H,44,54)(H,46,56)(H,47,53)(H,50,55)(H,58,59)(H4,42,43,45)(H2,48,49,60)/t25-,29+,30-,31+,32-,33-/m0/s1
+CH$LINK: PUBCHEM CID:155802447
+CH$LINK: INCHIKEY ZDOVFDLIJJGVQM-RRKFYBCGSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 87-875
+AC$CHROMATOGRAPHY: COLUMN_NAME Acwuity UPLC HSS T3 1.8um, 3x100mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 85/15 at 0 min, 0/100 at 21 min, 0/100 at 25 min, 2/98 at 25.1 min, 2/98 at 31 min, 85/15 at 31.1 min, 85/15 at 33 min
+AC$CHROMATOGRAPHY: FLOW_RATE 300 uL/min at 0 min, 650 uL/min at 25.1 min, 300 uL/min at 31.1 min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.087 min
+MS$FOCUSED_ION: BASE_PEAK 419.2323
+MS$FOCUSED_ION: PRECURSOR_M/Z 837.4617
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-000i-0010000090-71fb1596cceaed1d125e
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  175.1185 C6H15N4O2+ 3 175.119 -2.82
+  201.0973 C6H17O7+ 3 201.0969 2.23
+  837.461 C41H61N10O9+ 1 837.4617 -0.91
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  175.1185 373531.7 42
+  201.0973 1069541 120
+  837.461 8847983 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED086703.txt b/Eawag/MSBNK-EAWAG-ED086703.txt
new file mode 100644
index 0000000000..2898baaf9b
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED086703.txt
@@ -0,0 +1,49 @@
+ACCESSION: MSBNK-EAWAG-ED086703
+RECORD_TITLE: Anabaenopeptin B; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], V. Rouge [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 867
+CH$NAME: Anabaenopeptin B
+CH$NAME: (2R)-2-[[(3S,6S,9S,12S,15R)-3-benzyl-9-[2-(4-hydroxyphenyl)ethyl]-6,7-dimethyl-2,5,8,11,14-pentaoxo-12-propan-2-yl-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]-5-(diaminomethylideneamino)pentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C41H60N10O9
+CH$EXACT_MASS: 836.4544735
+CH$SMILES: C[C@H]1C(N[C@@H](CC2=CC=CC=C2)C(NCCCC[C@@H](NC(N[C@@H](C(O)=O)CCC/N=C(N)\N)=O)C(N[C@@H](C(C)C)C(N[C@@H](CCC3=CC=C(O)C=C3)C(N1C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C41H60N10O9/c1-24(2)33-37(56)46-30(20-17-26-15-18-28(52)19-16-26)38(57)51(4)25(3)34(53)47-32(23-27-11-6-5-7-12-27)35(54)44-21-9-8-13-29(36(55)50-33)48-41(60)49-31(39(58)59)14-10-22-45-40(42)43/h5-7,11-12,15-16,18-19,24-25,29-33,52H,8-10,13-14,17,20-23H2,1-4H3,(H,44,54)(H,46,56)(H,47,53)(H,50,55)(H,58,59)(H4,42,43,45)(H2,48,49,60)/t25-,29+,30-,31+,32-,33-/m0/s1
+CH$LINK: PUBCHEM CID:155802447
+CH$LINK: INCHIKEY ZDOVFDLIJJGVQM-RRKFYBCGSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 87-875
+AC$CHROMATOGRAPHY: COLUMN_NAME Acwuity UPLC HSS T3 1.8um, 3x100mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 85/15 at 0 min, 0/100 at 21 min, 0/100 at 25 min, 2/98 at 25.1 min, 2/98 at 31 min, 85/15 at 31.1 min, 85/15 at 33 min
+AC$CHROMATOGRAPHY: FLOW_RATE 300 uL/min at 0 min, 650 uL/min at 25.1 min, 300 uL/min at 31.1 min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.087 min
+MS$FOCUSED_ION: BASE_PEAK 419.2323
+MS$FOCUSED_ION: PRECURSOR_M/Z 837.4617
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0f79-0270001090-63e9ba089ae52034469f
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  175.1184 C6H15N4O2+ 3 175.119 -2.99
+  201.0972 C6H17O7+ 3 201.0969 1.78
+  637.3692 C32H47N9O5+ 6 637.3695 -0.36
+  837.4607 C41H61N10O9+ 1 837.4617 -1.27
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  175.1184 960943.9 229
+  201.0972 3473429.5 828
+  637.3692 482862.8 115
+  837.4607 4189124.2 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED086704.txt b/Eawag/MSBNK-EAWAG-ED086704.txt
new file mode 100644
index 0000000000..04a8b4cfe2
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED086704.txt
@@ -0,0 +1,49 @@
+ACCESSION: MSBNK-EAWAG-ED086704
+RECORD_TITLE: Anabaenopeptin B; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], V. Rouge [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 867
+CH$NAME: Anabaenopeptin B
+CH$NAME: (2R)-2-[[(3S,6S,9S,12S,15R)-3-benzyl-9-[2-(4-hydroxyphenyl)ethyl]-6,7-dimethyl-2,5,8,11,14-pentaoxo-12-propan-2-yl-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]-5-(diaminomethylideneamino)pentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C41H60N10O9
+CH$EXACT_MASS: 836.4544735
+CH$SMILES: C[C@H]1C(N[C@@H](CC2=CC=CC=C2)C(NCCCC[C@@H](NC(N[C@@H](C(O)=O)CCC/N=C(N)\N)=O)C(N[C@@H](C(C)C)C(N[C@@H](CCC3=CC=C(O)C=C3)C(N1C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C41H60N10O9/c1-24(2)33-37(56)46-30(20-17-26-15-18-28(52)19-16-26)38(57)51(4)25(3)34(53)47-32(23-27-11-6-5-7-12-27)35(54)44-21-9-8-13-29(36(55)50-33)48-41(60)49-31(39(58)59)14-10-22-45-40(42)43/h5-7,11-12,15-16,18-19,24-25,29-33,52H,8-10,13-14,17,20-23H2,1-4H3,(H,44,54)(H,46,56)(H,47,53)(H,50,55)(H,58,59)(H4,42,43,45)(H2,48,49,60)/t25-,29+,30-,31+,32-,33-/m0/s1
+CH$LINK: PUBCHEM CID:155802447
+CH$LINK: INCHIKEY ZDOVFDLIJJGVQM-RRKFYBCGSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 87-875
+AC$CHROMATOGRAPHY: COLUMN_NAME Acwuity UPLC HSS T3 1.8um, 3x100mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 85/15 at 0 min, 0/100 at 21 min, 0/100 at 25 min, 2/98 at 25.1 min, 2/98 at 31 min, 85/15 at 31.1 min, 85/15 at 33 min
+AC$CHROMATOGRAPHY: FLOW_RATE 300 uL/min at 0 min, 650 uL/min at 25.1 min, 300 uL/min at 31.1 min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.087 min
+MS$FOCUSED_ION: BASE_PEAK 419.2323
+MS$FOCUSED_ION: PRECURSOR_M/Z 837.4617
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0udi-0190000010-325451346075c12c086f
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  175.1185 C6H15N4O2+ 3 175.119 -2.73
+  201.0972 C6H17O7+ 3 201.0969 1.7
+  637.3691 C32H47N9O5+ 6 637.3695 -0.65
+  837.461 C41H61N10O9+ 1 837.4617 -0.84
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  175.1185 1139105.4 212
+  201.0972 5349788.5 999
+  637.3691 280449.2 52
+  837.461 813451.1 151
+//
diff --git a/Eawag/MSBNK-EAWAG-ED086705.txt b/Eawag/MSBNK-EAWAG-ED086705.txt
new file mode 100644
index 0000000000..6f1f8c0c47
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED086705.txt
@@ -0,0 +1,53 @@
+ACCESSION: MSBNK-EAWAG-ED086705
+RECORD_TITLE: Anabaenopeptin B; LC-ESI-QFT; MS2; CE: 35%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], V. Rouge [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 867
+CH$NAME: Anabaenopeptin B
+CH$NAME: (2R)-2-[[(3S,6S,9S,12S,15R)-3-benzyl-9-[2-(4-hydroxyphenyl)ethyl]-6,7-dimethyl-2,5,8,11,14-pentaoxo-12-propan-2-yl-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]-5-(diaminomethylideneamino)pentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C41H60N10O9
+CH$EXACT_MASS: 836.4544735
+CH$SMILES: C[C@H]1C(N[C@@H](CC2=CC=CC=C2)C(NCCCC[C@@H](NC(N[C@@H](C(O)=O)CCC/N=C(N)\N)=O)C(N[C@@H](C(C)C)C(N[C@@H](CCC3=CC=C(O)C=C3)C(N1C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C41H60N10O9/c1-24(2)33-37(56)46-30(20-17-26-15-18-28(52)19-16-26)38(57)51(4)25(3)34(53)47-32(23-27-11-6-5-7-12-27)35(54)44-21-9-8-13-29(36(55)50-33)48-41(60)49-31(39(58)59)14-10-22-45-40(42)43/h5-7,11-12,15-16,18-19,24-25,29-33,52H,8-10,13-14,17,20-23H2,1-4H3,(H,44,54)(H,46,56)(H,47,53)(H,50,55)(H,58,59)(H4,42,43,45)(H2,48,49,60)/t25-,29+,30-,31+,32-,33-/m0/s1
+CH$LINK: PUBCHEM CID:155802447
+CH$LINK: INCHIKEY ZDOVFDLIJJGVQM-RRKFYBCGSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 35 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 87-875
+AC$CHROMATOGRAPHY: COLUMN_NAME Acwuity UPLC HSS T3 1.8um, 3x100mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 85/15 at 0 min, 0/100 at 21 min, 0/100 at 25 min, 2/98 at 25.1 min, 2/98 at 31 min, 85/15 at 31.1 min, 85/15 at 33 min
+AC$CHROMATOGRAPHY: FLOW_RATE 300 uL/min at 0 min, 650 uL/min at 25.1 min, 300 uL/min at 31.1 min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.087 min
+MS$FOCUSED_ION: BASE_PEAK 419.2323
+MS$FOCUSED_ION: PRECURSOR_M/Z 837.4617
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0udi-0190000000-6cc18759839ee1f4c45e
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  112.0869 C5H10N3+ 1 112.0869 -0.58
+  114.0548 C5H8NO2+ 1 114.055 -1.4
+  116.0703 C5H10NO2+ 1 116.0706 -2.42
+  130.0971 C5H12N3O+ 1 130.0975 -2.96
+  175.1184 C6H15N4O2+ 3 175.119 -2.99
+  201.0972 C6H17O7+ 2 201.0969 1.47
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  112.0869 79468 14
+  114.0548 99463.1 18
+  116.0703 61522.2 11
+  130.0971 67143.9 12
+  175.1184 899150.9 165
+  201.0972 5431168.5 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED086706.txt b/Eawag/MSBNK-EAWAG-ED086706.txt
new file mode 100644
index 0000000000..244c96c6e4
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED086706.txt
@@ -0,0 +1,57 @@
+ACCESSION: MSBNK-EAWAG-ED086706
+RECORD_TITLE: Anabaenopeptin B; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], V. Rouge [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 867
+CH$NAME: Anabaenopeptin B
+CH$NAME: (2R)-2-[[(3S,6S,9S,12S,15R)-3-benzyl-9-[2-(4-hydroxyphenyl)ethyl]-6,7-dimethyl-2,5,8,11,14-pentaoxo-12-propan-2-yl-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]-5-(diaminomethylideneamino)pentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C41H60N10O9
+CH$EXACT_MASS: 836.4544735
+CH$SMILES: C[C@H]1C(N[C@@H](CC2=CC=CC=C2)C(NCCCC[C@@H](NC(N[C@@H](C(O)=O)CCC/N=C(N)\N)=O)C(N[C@@H](C(C)C)C(N[C@@H](CCC3=CC=C(O)C=C3)C(N1C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C41H60N10O9/c1-24(2)33-37(56)46-30(20-17-26-15-18-28(52)19-16-26)38(57)51(4)25(3)34(53)47-32(23-27-11-6-5-7-12-27)35(54)44-21-9-8-13-29(36(55)50-33)48-41(60)49-31(39(58)59)14-10-22-45-40(42)43/h5-7,11-12,15-16,18-19,24-25,29-33,52H,8-10,13-14,17,20-23H2,1-4H3,(H,44,54)(H,46,56)(H,47,53)(H,50,55)(H,58,59)(H4,42,43,45)(H2,48,49,60)/t25-,29+,30-,31+,32-,33-/m0/s1
+CH$LINK: PUBCHEM CID:155802447
+CH$LINK: INCHIKEY ZDOVFDLIJJGVQM-RRKFYBCGSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 87-875
+AC$CHROMATOGRAPHY: COLUMN_NAME Acwuity UPLC HSS T3 1.8um, 3x100mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 85/15 at 0 min, 0/100 at 21 min, 0/100 at 25 min, 2/98 at 25.1 min, 2/98 at 31 min, 85/15 at 31.1 min, 85/15 at 33 min
+AC$CHROMATOGRAPHY: FLOW_RATE 300 uL/min at 0 min, 650 uL/min at 25.1 min, 300 uL/min at 31.1 min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.087 min
+MS$FOCUSED_ION: BASE_PEAK 419.2323
+MS$FOCUSED_ION: PRECURSOR_M/Z 837.4617
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0udi-0290000000-a3cda612709f87a5a461
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  112.0868 C5H10N3+ 1 112.0869 -0.85
+  114.055 C5H8NO2+ 1 114.055 0
+  116.0706 C5H10NO2+ 1 116.0706 0.21
+  130.0973 C5H12N3O+ 1 130.0975 -1.08
+  158.092 C6H12N3O2+ 1 158.0924 -2.46
+  159.0763 C6H11N2O3+ 1 159.0764 -0.45
+  175.1184 C6H15N4O2+ 3 175.119 -2.9
+  201.0972 C6H17O7+ 3 201.0969 1.78
+PK$NUM_PEAK: 8
+PK$PEAK: m/z int. rel.int.
+  112.0868 116050.4 23
+  114.055 183090 36
+  116.0706 95341.8 19
+  130.0973 151509 30
+  158.092 85343.3 17
+  159.0763 99516 19
+  175.1184 611078.6 122
+  201.0972 4984810 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED086707.txt b/Eawag/MSBNK-EAWAG-ED086707.txt
new file mode 100644
index 0000000000..e468bae787
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED086707.txt
@@ -0,0 +1,67 @@
+ACCESSION: MSBNK-EAWAG-ED086707
+RECORD_TITLE: Anabaenopeptin B; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], V. Rouge [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 867
+CH$NAME: Anabaenopeptin B
+CH$NAME: (2R)-2-[[(3S,6S,9S,12S,15R)-3-benzyl-9-[2-(4-hydroxyphenyl)ethyl]-6,7-dimethyl-2,5,8,11,14-pentaoxo-12-propan-2-yl-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]-5-(diaminomethylideneamino)pentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C41H60N10O9
+CH$EXACT_MASS: 836.4544735
+CH$SMILES: C[C@H]1C(N[C@@H](CC2=CC=CC=C2)C(NCCCC[C@@H](NC(N[C@@H](C(O)=O)CCC/N=C(N)\N)=O)C(N[C@@H](C(C)C)C(N[C@@H](CCC3=CC=C(O)C=C3)C(N1C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C41H60N10O9/c1-24(2)33-37(56)46-30(20-17-26-15-18-28(52)19-16-26)38(57)51(4)25(3)34(53)47-32(23-27-11-6-5-7-12-27)35(54)44-21-9-8-13-29(36(55)50-33)48-41(60)49-31(39(58)59)14-10-22-45-40(42)43/h5-7,11-12,15-16,18-19,24-25,29-33,52H,8-10,13-14,17,20-23H2,1-4H3,(H,44,54)(H,46,56)(H,47,53)(H,50,55)(H,58,59)(H4,42,43,45)(H2,48,49,60)/t25-,29+,30-,31+,32-,33-/m0/s1
+CH$LINK: PUBCHEM CID:155802447
+CH$LINK: INCHIKEY ZDOVFDLIJJGVQM-RRKFYBCGSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 87-875
+AC$CHROMATOGRAPHY: COLUMN_NAME Acwuity UPLC HSS T3 1.8um, 3x100mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 85/15 at 0 min, 0/100 at 21 min, 0/100 at 25 min, 2/98 at 25.1 min, 2/98 at 31 min, 85/15 at 31.1 min, 85/15 at 33 min
+AC$CHROMATOGRAPHY: FLOW_RATE 300 uL/min at 0 min, 650 uL/min at 25.1 min, 300 uL/min at 31.1 min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.087 min
+MS$FOCUSED_ION: BASE_PEAK 419.2323
+MS$FOCUSED_ION: PRECURSOR_M/Z 837.4617
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0udi-0590000000-b3f6c178712362e0dc45
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  112.0868 C5H10N3+ 1 112.0869 -0.98
+  113.071 C5H9N2O+ 1 113.0709 0.15
+  114.0549 C5H8NO2+ 1 114.055 -0.87
+  115.0866 C5H11N2O+ 1 115.0866 0.1
+  116.0706 C5H10NO2+ 1 116.0706 -0.45
+  120.0809 C8H10N+ 1 120.0808 0.78
+  130.0974 C5H12N3O+ 1 130.0975 -0.85
+  141.0657 C6H9N2O2+ 1 141.0659 -0.81
+  142.0495 C6H8NO3+ 1 142.0499 -2.3
+  158.0922 C6H12N3O2+ 1 158.0924 -1.1
+  159.0763 C6H11N2O3+ 1 159.0764 -0.64
+  175.1185 C6H15N4O2+ 3 175.119 -2.73
+  201.0973 C6H17O7+ 3 201.0969 2.08
+PK$NUM_PEAK: 13
+PK$PEAK: m/z int. rel.int.
+  112.0868 194145.5 62
+  113.071 78239.8 25
+  114.0549 405938.4 130
+  115.0866 109629.3 35
+  116.0706 132132 42
+  120.0809 52043.4 16
+  130.0974 329065.1 105
+  141.0657 41282.2 13
+  142.0495 77144.8 24
+  158.0922 87828 28
+  159.0763 164091.2 52
+  175.1185 232647.2 74
+  201.0973 3117140.8 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED086708.txt b/Eawag/MSBNK-EAWAG-ED086708.txt
new file mode 100644
index 0000000000..b4a22b8640
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED086708.txt
@@ -0,0 +1,77 @@
+ACCESSION: MSBNK-EAWAG-ED086708
+RECORD_TITLE: Anabaenopeptin B; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], V. Rouge [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 867
+CH$NAME: Anabaenopeptin B
+CH$NAME: (2R)-2-[[(3S,6S,9S,12S,15R)-3-benzyl-9-[2-(4-hydroxyphenyl)ethyl]-6,7-dimethyl-2,5,8,11,14-pentaoxo-12-propan-2-yl-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]-5-(diaminomethylideneamino)pentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C41H60N10O9
+CH$EXACT_MASS: 836.4544735
+CH$SMILES: C[C@H]1C(N[C@@H](CC2=CC=CC=C2)C(NCCCC[C@@H](NC(N[C@@H](C(O)=O)CCC/N=C(N)\N)=O)C(N[C@@H](C(C)C)C(N[C@@H](CCC3=CC=C(O)C=C3)C(N1C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C41H60N10O9/c1-24(2)33-37(56)46-30(20-17-26-15-18-28(52)19-16-26)38(57)51(4)25(3)34(53)47-32(23-27-11-6-5-7-12-27)35(54)44-21-9-8-13-29(36(55)50-33)48-41(60)49-31(39(58)59)14-10-22-45-40(42)43/h5-7,11-12,15-16,18-19,24-25,29-33,52H,8-10,13-14,17,20-23H2,1-4H3,(H,44,54)(H,46,56)(H,47,53)(H,50,55)(H,58,59)(H4,42,43,45)(H2,48,49,60)/t25-,29+,30-,31+,32-,33-/m0/s1
+CH$LINK: PUBCHEM CID:155802447
+CH$LINK: INCHIKEY ZDOVFDLIJJGVQM-RRKFYBCGSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 87-875
+AC$CHROMATOGRAPHY: COLUMN_NAME Acwuity UPLC HSS T3 1.8um, 3x100mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 85/15 at 0 min, 0/100 at 21 min, 0/100 at 25 min, 2/98 at 25.1 min, 2/98 at 31 min, 85/15 at 31.1 min, 85/15 at 33 min
+AC$CHROMATOGRAPHY: FLOW_RATE 300 uL/min at 0 min, 650 uL/min at 25.1 min, 300 uL/min at 31.1 min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.087 min
+MS$FOCUSED_ION: BASE_PEAK 419.2323
+MS$FOCUSED_ION: PRECURSOR_M/Z 837.4617
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0w29-0950000000-062e6504cd32110bfefe
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  96.0441 C5H6NO+ 1 96.0444 -2.92
+  97.0759 C5H9N2+ 1 97.076 -1.35
+  107.0492 C7H7O+ 1 107.0491 0.58
+  112.0869 C5H10N3+ 1 112.0869 -0.1
+  113.0709 C5H9N2O+ 1 113.0709 -0.66
+  114.0549 C5H8NO2+ 1 114.055 -0.33
+  115.0867 C5H11N2O+ 1 115.0866 0.83
+  116.0705 C5H10NO2+ 1 116.0706 -1.3
+  120.0807 C8H10N+ 1 120.0808 -0.68
+  129.1021 C6H13N2O+ 1 129.1022 -1.24
+  130.0973 C5H12N3O+ 1 130.0975 -1.32
+  141.0654 C6H9N2O2+ 1 141.0659 -3.09
+  142.0497 C6H8NO3+ 1 142.0499 -1.01
+  158.0921 C6H12N3O2+ 1 158.0924 -2.17
+  159.0761 C6H11N2O3+ 1 159.0764 -2.18
+  175.1184 C6H15N4O2+ 3 175.119 -2.99
+  183.1484 C10H19N2O+ 2 183.1492 -4.5
+  201.0974 C6H17O7+ 3 201.0969 2.38
+PK$NUM_PEAK: 18
+PK$PEAK: m/z int. rel.int.
+  96.0441 13848.7 10
+  97.0759 19548.6 14
+  107.0492 41283.6 29
+  112.0869 198171.1 143
+  113.0709 144871.2 104
+  114.0549 629069.3 455
+  115.0867 111624.8 80
+  116.0705 128802 93
+  120.0807 92386.2 66
+  129.1021 26416.6 19
+  130.0973 421412.9 304
+  141.0654 53011.7 38
+  142.0497 92900.9 67
+  158.0921 56834.2 41
+  159.0761 143870.3 104
+  175.1184 67460 48
+  183.1484 13859.8 10
+  201.0974 1380919.5 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED086709.txt b/Eawag/MSBNK-EAWAG-ED086709.txt
new file mode 100644
index 0000000000..557380894c
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED086709.txt
@@ -0,0 +1,75 @@
+ACCESSION: MSBNK-EAWAG-ED086709
+RECORD_TITLE: Anabaenopeptin B; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], V. Rouge [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 867
+CH$NAME: Anabaenopeptin B
+CH$NAME: (2R)-2-[[(3S,6S,9S,12S,15R)-3-benzyl-9-[2-(4-hydroxyphenyl)ethyl]-6,7-dimethyl-2,5,8,11,14-pentaoxo-12-propan-2-yl-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]-5-(diaminomethylideneamino)pentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C41H60N10O9
+CH$EXACT_MASS: 836.4544735
+CH$SMILES: C[C@H]1C(N[C@@H](CC2=CC=CC=C2)C(NCCCC[C@@H](NC(N[C@@H](C(O)=O)CCC/N=C(N)\N)=O)C(N[C@@H](C(C)C)C(N[C@@H](CCC3=CC=C(O)C=C3)C(N1C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C41H60N10O9/c1-24(2)33-37(56)46-30(20-17-26-15-18-28(52)19-16-26)38(57)51(4)25(3)34(53)47-32(23-27-11-6-5-7-12-27)35(54)44-21-9-8-13-29(36(55)50-33)48-41(60)49-31(39(58)59)14-10-22-45-40(42)43/h5-7,11-12,15-16,18-19,24-25,29-33,52H,8-10,13-14,17,20-23H2,1-4H3,(H,44,54)(H,46,56)(H,47,53)(H,50,55)(H,58,59)(H4,42,43,45)(H2,48,49,60)/t25-,29+,30-,31+,32-,33-/m0/s1
+CH$LINK: PUBCHEM CID:155802447
+CH$LINK: INCHIKEY ZDOVFDLIJJGVQM-RRKFYBCGSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 87-875
+AC$CHROMATOGRAPHY: COLUMN_NAME Acwuity UPLC HSS T3 1.8um, 3x100mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 85/15 at 0 min, 0/100 at 21 min, 0/100 at 25 min, 2/98 at 25.1 min, 2/98 at 31 min, 85/15 at 31.1 min, 85/15 at 33 min
+AC$CHROMATOGRAPHY: FLOW_RATE 300 uL/min at 0 min, 650 uL/min at 25.1 min, 300 uL/min at 31.1 min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.087 min
+MS$FOCUSED_ION: BASE_PEAK 419.2323
+MS$FOCUSED_ION: PRECURSOR_M/Z 837.4617
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0ik9-0920000000-d5398b5d8927cc0c4c80
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  96.0444 C5H6NO+ 1 96.0444 -0.14
+  97.076 C5H9N2+ 1 97.076 -0.4
+  99.0442 C5H7O2+ 1 99.0441 1.16
+  107.049 C7H7O+ 1 107.0491 -1.13
+  112.0867 C5H10N3+ 1 112.0869 -2.28
+  113.0709 C5H9N2O+ 1 113.0709 -0.32
+  114.0548 C5H8NO2+ 1 114.055 -1.34
+  115.0868 C5H11N2O+ 1 115.0866 1.69
+  116.0705 C5H10NO2+ 1 116.0706 -0.97
+  120.0806 C8H10N+ 1 120.0808 -1.57
+  129.1022 C6H13N2O+ 1 129.1022 -0.06
+  130.0973 C5H12N3O+ 1 130.0975 -1.32
+  141.0661 C6H9N2O2+ 1 141.0659 2
+  142.0495 C6H8NO3+ 1 142.0499 -2.52
+  158.0917 C6H12N3O2+ 2 158.0924 -4.39
+  159.0758 C6H11N2O3+ 2 159.0764 -3.81
+  201.0972 C6H17O7+ 2 201.0969 1.62
+PK$NUM_PEAK: 17
+PK$PEAK: m/z int. rel.int.
+  96.0444 29552.2 55
+  97.076 13788.8 25
+  99.0442 23133.9 43
+  107.049 51947.8 97
+  112.0867 128429.2 240
+  113.0709 136146.5 255
+  114.0548 533281.9 999
+  115.0868 61891.7 115
+  116.0705 74305.9 139
+  120.0806 123067.9 230
+  129.1022 27058.7 50
+  130.0973 359157.1 672
+  141.0661 26199.8 49
+  142.0495 47288.1 88
+  158.0917 25707.8 48
+  159.0758 73326.3 137
+  201.0972 454146.2 850
+//
diff --git a/Eawag/MSBNK-EAWAG-ED086751.txt b/Eawag/MSBNK-EAWAG-ED086751.txt
new file mode 100644
index 0000000000..31f1453fb9
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED086751.txt
@@ -0,0 +1,49 @@
+ACCESSION: MSBNK-EAWAG-ED086751
+RECORD_TITLE: Anabaenopeptin B; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], V. Rouge [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 867
+CH$NAME: Anabaenopeptin B
+CH$NAME: (2R)-2-[[(3S,6S,9S,12S,15R)-3-benzyl-9-[2-(4-hydroxyphenyl)ethyl]-6,7-dimethyl-2,5,8,11,14-pentaoxo-12-propan-2-yl-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]-5-(diaminomethylideneamino)pentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C41H60N10O9
+CH$EXACT_MASS: 836.4544735
+CH$SMILES: C[C@H]1C(N[C@@H](CC2=CC=CC=C2)C(NCCCC[C@@H](NC(N[C@@H](C(O)=O)CCC/N=C(N)\N)=O)C(N[C@@H](C(C)C)C(N[C@@H](CCC3=CC=C(O)C=C3)C(N1C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C41H60N10O9/c1-24(2)33-37(56)46-30(20-17-26-15-18-28(52)19-16-26)38(57)51(4)25(3)34(53)47-32(23-27-11-6-5-7-12-27)35(54)44-21-9-8-13-29(36(55)50-33)48-41(60)49-31(39(58)59)14-10-22-45-40(42)43/h5-7,11-12,15-16,18-19,24-25,29-33,52H,8-10,13-14,17,20-23H2,1-4H3,(H,44,54)(H,46,56)(H,47,53)(H,50,55)(H,58,59)(H4,42,43,45)(H2,48,49,60)/t25-,29+,30-,31+,32-,33-/m0/s1
+CH$LINK: PUBCHEM CID:155802447
+CH$LINK: INCHIKEY ZDOVFDLIJJGVQM-RRKFYBCGSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 87-873
+AC$CHROMATOGRAPHY: COLUMN_NAME Acwuity UPLC HSS T3 1.8um, 3x100mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 85/15 at 0 min, 0/100 at 21 min, 0/100 at 25 min, 2/98 at 25.1 min, 2/98 at 31 min, 85/15 at 31.1 min, 85/15 at 33 min
+AC$CHROMATOGRAPHY: FLOW_RATE 300 uL/min at 0 min, 650 uL/min at 25.1 min, 300 uL/min at 31.1 min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.106 min
+MS$FOCUSED_ION: BASE_PEAK 116.9285
+MS$FOCUSED_ION: PRECURSOR_M/Z 835.4472
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-029i-0000005090-3c85898aabdb43c2c220
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  173.1035 C5H17O6- 2 173.1031 2.34
+  661.3355 C35H45N6O7- 6 661.3355 -0.07
+  817.4362 C41H57N10O8- 1 817.4366 -0.52
+  835.4465 C41H59N10O9- 1 835.4472 -0.83
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  173.1035 50882.8 18
+  661.3355 2613594.8 930
+  817.4362 1527131.6 543
+  835.4465 2805538.2 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED086752.txt b/Eawag/MSBNK-EAWAG-ED086752.txt
new file mode 100644
index 0000000000..4a174e3f0f
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED086752.txt
@@ -0,0 +1,51 @@
+ACCESSION: MSBNK-EAWAG-ED086752
+RECORD_TITLE: Anabaenopeptin B; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], V. Rouge [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 867
+CH$NAME: Anabaenopeptin B
+CH$NAME: (2R)-2-[[(3S,6S,9S,12S,15R)-3-benzyl-9-[2-(4-hydroxyphenyl)ethyl]-6,7-dimethyl-2,5,8,11,14-pentaoxo-12-propan-2-yl-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]-5-(diaminomethylideneamino)pentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C41H60N10O9
+CH$EXACT_MASS: 836.4544735
+CH$SMILES: C[C@H]1C(N[C@@H](CC2=CC=CC=C2)C(NCCCC[C@@H](NC(N[C@@H](C(O)=O)CCC/N=C(N)\N)=O)C(N[C@@H](C(C)C)C(N[C@@H](CCC3=CC=C(O)C=C3)C(N1C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C41H60N10O9/c1-24(2)33-37(56)46-30(20-17-26-15-18-28(52)19-16-26)38(57)51(4)25(3)34(53)47-32(23-27-11-6-5-7-12-27)35(54)44-21-9-8-13-29(36(55)50-33)48-41(60)49-31(39(58)59)14-10-22-45-40(42)43/h5-7,11-12,15-16,18-19,24-25,29-33,52H,8-10,13-14,17,20-23H2,1-4H3,(H,44,54)(H,46,56)(H,47,53)(H,50,55)(H,58,59)(H4,42,43,45)(H2,48,49,60)/t25-,29+,30-,31+,32-,33-/m0/s1
+CH$LINK: PUBCHEM CID:155802447
+CH$LINK: INCHIKEY ZDOVFDLIJJGVQM-RRKFYBCGSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 87-873
+AC$CHROMATOGRAPHY: COLUMN_NAME Acwuity UPLC HSS T3 1.8um, 3x100mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 85/15 at 0 min, 0/100 at 21 min, 0/100 at 25 min, 2/98 at 25.1 min, 2/98 at 31 min, 85/15 at 31.1 min, 85/15 at 33 min
+AC$CHROMATOGRAPHY: FLOW_RATE 300 uL/min at 0 min, 650 uL/min at 25.1 min, 300 uL/min at 31.1 min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.106 min
+MS$FOCUSED_ION: BASE_PEAK 116.9285
+MS$FOCUSED_ION: PRECURSOR_M/Z 835.4472
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-03di-0000009040-02a1c10e990d17b64b23
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  173.1036 C5H17O6- 3 173.1031 3.14
+  661.3355 C35H45N6O7- 6 661.3355 -0.07
+  662.3373 C41H46N2O6- 4 662.3361 1.78
+  817.4363 C41H57N10O8- 1 817.4366 -0.37
+  835.4466 C41H59N10O9- 1 835.4472 -0.75
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  173.1036 174477.7 44
+  661.3355 3946603 999
+  662.3373 56501.2 14
+  817.4363 1623748.2 411
+  835.4466 249971.4 63
+//
diff --git a/Eawag/MSBNK-EAWAG-ED086753.txt b/Eawag/MSBNK-EAWAG-ED086753.txt
new file mode 100644
index 0000000000..0ba2631563
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED086753.txt
@@ -0,0 +1,53 @@
+ACCESSION: MSBNK-EAWAG-ED086753
+RECORD_TITLE: Anabaenopeptin B; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], V. Rouge [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 867
+CH$NAME: Anabaenopeptin B
+CH$NAME: (2R)-2-[[(3S,6S,9S,12S,15R)-3-benzyl-9-[2-(4-hydroxyphenyl)ethyl]-6,7-dimethyl-2,5,8,11,14-pentaoxo-12-propan-2-yl-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]-5-(diaminomethylideneamino)pentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C41H60N10O9
+CH$EXACT_MASS: 836.4544735
+CH$SMILES: C[C@H]1C(N[C@@H](CC2=CC=CC=C2)C(NCCCC[C@@H](NC(N[C@@H](C(O)=O)CCC/N=C(N)\N)=O)C(N[C@@H](C(C)C)C(N[C@@H](CCC3=CC=C(O)C=C3)C(N1C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C41H60N10O9/c1-24(2)33-37(56)46-30(20-17-26-15-18-28(52)19-16-26)38(57)51(4)25(3)34(53)47-32(23-27-11-6-5-7-12-27)35(54)44-21-9-8-13-29(36(55)50-33)48-41(60)49-31(39(58)59)14-10-22-45-40(42)43/h5-7,11-12,15-16,18-19,24-25,29-33,52H,8-10,13-14,17,20-23H2,1-4H3,(H,44,54)(H,46,56)(H,47,53)(H,50,55)(H,58,59)(H4,42,43,45)(H2,48,49,60)/t25-,29+,30-,31+,32-,33-/m0/s1
+CH$LINK: PUBCHEM CID:155802447
+CH$LINK: INCHIKEY ZDOVFDLIJJGVQM-RRKFYBCGSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 87-873
+AC$CHROMATOGRAPHY: COLUMN_NAME Acwuity UPLC HSS T3 1.8um, 3x100mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 85/15 at 0 min, 0/100 at 21 min, 0/100 at 25 min, 2/98 at 25.1 min, 2/98 at 31 min, 85/15 at 31.1 min, 85/15 at 33 min
+AC$CHROMATOGRAPHY: FLOW_RATE 300 uL/min at 0 min, 650 uL/min at 25.1 min, 300 uL/min at 31.1 min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.106 min
+MS$FOCUSED_ION: BASE_PEAK 116.9285
+MS$FOCUSED_ION: PRECURSOR_M/Z 835.4472
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-03di-0000009020-fecb686b3e72cb5f3a2e
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  131.0826 C5H11N2O2- 1 131.0826 -0.05
+  173.1037 C5H17O6- 3 173.1031 3.58
+  402.2136 C19H32NO8- 4 402.2133 0.66
+  661.3357 C35H45N6O7- 6 661.3355 0.3
+  775.4152 C40H55N8O8- 1 775.4148 0.49
+  817.4364 C41H57N10O8- 1 817.4366 -0.22
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  131.0826 64841.5 18
+  173.1037 332735.5 92
+  402.2136 111313.4 30
+  661.3357 3589496 999
+  775.4152 119453.3 33
+  817.4364 1112640.2 309
+//
diff --git a/Eawag/MSBNK-EAWAG-ED086754.txt b/Eawag/MSBNK-EAWAG-ED086754.txt
new file mode 100644
index 0000000000..40fa129448
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED086754.txt
@@ -0,0 +1,59 @@
+ACCESSION: MSBNK-EAWAG-ED086754
+RECORD_TITLE: Anabaenopeptin B; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], V. Rouge [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 867
+CH$NAME: Anabaenopeptin B
+CH$NAME: (2R)-2-[[(3S,6S,9S,12S,15R)-3-benzyl-9-[2-(4-hydroxyphenyl)ethyl]-6,7-dimethyl-2,5,8,11,14-pentaoxo-12-propan-2-yl-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]-5-(diaminomethylideneamino)pentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C41H60N10O9
+CH$EXACT_MASS: 836.4544735
+CH$SMILES: C[C@H]1C(N[C@@H](CC2=CC=CC=C2)C(NCCCC[C@@H](NC(N[C@@H](C(O)=O)CCC/N=C(N)\N)=O)C(N[C@@H](C(C)C)C(N[C@@H](CCC3=CC=C(O)C=C3)C(N1C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C41H60N10O9/c1-24(2)33-37(56)46-30(20-17-26-15-18-28(52)19-16-26)38(57)51(4)25(3)34(53)47-32(23-27-11-6-5-7-12-27)35(54)44-21-9-8-13-29(36(55)50-33)48-41(60)49-31(39(58)59)14-10-22-45-40(42)43/h5-7,11-12,15-16,18-19,24-25,29-33,52H,8-10,13-14,17,20-23H2,1-4H3,(H,44,54)(H,46,56)(H,47,53)(H,50,55)(H,58,59)(H4,42,43,45)(H2,48,49,60)/t25-,29+,30-,31+,32-,33-/m0/s1
+CH$LINK: PUBCHEM CID:155802447
+CH$LINK: INCHIKEY ZDOVFDLIJJGVQM-RRKFYBCGSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 87-873
+AC$CHROMATOGRAPHY: COLUMN_NAME Acwuity UPLC HSS T3 1.8um, 3x100mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 85/15 at 0 min, 0/100 at 21 min, 0/100 at 25 min, 2/98 at 25.1 min, 2/98 at 31 min, 85/15 at 31.1 min, 85/15 at 33 min
+AC$CHROMATOGRAPHY: FLOW_RATE 300 uL/min at 0 min, 650 uL/min at 25.1 min, 300 uL/min at 31.1 min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.106 min
+MS$FOCUSED_ION: BASE_PEAK 116.9285
+MS$FOCUSED_ION: PRECURSOR_M/Z 835.4472
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-03di-0100009010-0cfe626b2255c24d47bc
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  131.0825 C5H11N2O2- 1 131.0826 -1.1
+  173.1037 C5H17O6- 3 173.1031 3.4
+  331.212 C16H25N7O- 4 331.2126 -1.7
+  617.3498 C36H47N3O6- 7 617.347 4.45
+  635.3572 C34H47N6O6- 7 635.3563 1.44
+  661.3356 C35H45N6O7- 6 661.3355 0.12
+  662.3369 C41H46N2O6- 4 662.3361 1.22
+  775.4138 C40H55N8O8- 1 775.4148 -1.32
+  817.4362 C41H57N10O8- 1 817.4366 -0.52
+PK$NUM_PEAK: 9
+PK$PEAK: m/z int. rel.int.
+  131.0825 169591.2 60
+  173.1037 397049.8 142
+  331.212 39106.3 14
+  617.3498 56844.2 20
+  635.3572 123310.1 44
+  661.3356 2787161.8 999
+  662.3369 47492.1 17
+  775.4138 232843.4 83
+  817.4362 560808.3 201
+//
diff --git a/Eawag/MSBNK-EAWAG-ED086755.txt b/Eawag/MSBNK-EAWAG-ED086755.txt
new file mode 100644
index 0000000000..1d400d49e0
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED086755.txt
@@ -0,0 +1,61 @@
+ACCESSION: MSBNK-EAWAG-ED086755
+RECORD_TITLE: Anabaenopeptin B; LC-ESI-QFT; MS2; CE: 35%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], V. Rouge [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 867
+CH$NAME: Anabaenopeptin B
+CH$NAME: (2R)-2-[[(3S,6S,9S,12S,15R)-3-benzyl-9-[2-(4-hydroxyphenyl)ethyl]-6,7-dimethyl-2,5,8,11,14-pentaoxo-12-propan-2-yl-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]-5-(diaminomethylideneamino)pentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C41H60N10O9
+CH$EXACT_MASS: 836.4544735
+CH$SMILES: C[C@H]1C(N[C@@H](CC2=CC=CC=C2)C(NCCCC[C@@H](NC(N[C@@H](C(O)=O)CCC/N=C(N)\N)=O)C(N[C@@H](C(C)C)C(N[C@@H](CCC3=CC=C(O)C=C3)C(N1C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C41H60N10O9/c1-24(2)33-37(56)46-30(20-17-26-15-18-28(52)19-16-26)38(57)51(4)25(3)34(53)47-32(23-27-11-6-5-7-12-27)35(54)44-21-9-8-13-29(36(55)50-33)48-41(60)49-31(39(58)59)14-10-22-45-40(42)43/h5-7,11-12,15-16,18-19,24-25,29-33,52H,8-10,13-14,17,20-23H2,1-4H3,(H,44,54)(H,46,56)(H,47,53)(H,50,55)(H,58,59)(H4,42,43,45)(H2,48,49,60)/t25-,29+,30-,31+,32-,33-/m0/s1
+CH$LINK: PUBCHEM CID:155802447
+CH$LINK: INCHIKEY ZDOVFDLIJJGVQM-RRKFYBCGSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 35 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 87-873
+AC$CHROMATOGRAPHY: COLUMN_NAME Acwuity UPLC HSS T3 1.8um, 3x100mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 85/15 at 0 min, 0/100 at 21 min, 0/100 at 25 min, 2/98 at 25.1 min, 2/98 at 31 min, 85/15 at 31.1 min, 85/15 at 33 min
+AC$CHROMATOGRAPHY: FLOW_RATE 300 uL/min at 0 min, 650 uL/min at 25.1 min, 300 uL/min at 31.1 min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.106 min
+MS$FOCUSED_ION: BASE_PEAK 116.9285
+MS$FOCUSED_ION: PRECURSOR_M/Z 835.4472
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0ik9-0401409000-a08a6c2fa5adbf728af5
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  131.0824 C5H11N2O2- 1 131.0826 -1.21
+  173.1037 C5H17O6- 3 173.1031 3.4
+  261.1241 C12H15N5O2- 3 261.1231 3.7
+  331.2124 C16H25N7O- 5 331.2126 -0.6
+  399.2034 C21H27N4O4- 5 399.2038 -0.9
+  402.2139 C19H32NO8- 4 402.2133 1.49
+  429.2143 C22H29N4O5- 5 429.2143 -0.05
+  635.3569 C34H47N6O6- 6 635.3563 0.96
+  661.3355 C35H45N6O7- 6 661.3355 0.03
+  817.439 C41H57N10O8- 1 817.4366 2.91
+PK$NUM_PEAK: 10
+PK$PEAK: m/z int. rel.int.
+  131.0824 304545.9 271
+  173.1037 347307 309
+  261.1241 38981.2 34
+  331.2124 149107 132
+  399.2034 39076 34
+  402.2139 590407.4 525
+  429.2143 50723.9 45
+  635.3569 90561.3 80
+  661.3355 1122479.5 999
+  817.439 110105.2 97
+//
diff --git a/Eawag/MSBNK-EAWAG-ED086756.txt b/Eawag/MSBNK-EAWAG-ED086756.txt
new file mode 100644
index 0000000000..bb4acf4302
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED086756.txt
@@ -0,0 +1,65 @@
+ACCESSION: MSBNK-EAWAG-ED086756
+RECORD_TITLE: Anabaenopeptin B; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], V. Rouge [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 867
+CH$NAME: Anabaenopeptin B
+CH$NAME: (2R)-2-[[(3S,6S,9S,12S,15R)-3-benzyl-9-[2-(4-hydroxyphenyl)ethyl]-6,7-dimethyl-2,5,8,11,14-pentaoxo-12-propan-2-yl-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]-5-(diaminomethylideneamino)pentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C41H60N10O9
+CH$EXACT_MASS: 836.4544735
+CH$SMILES: C[C@H]1C(N[C@@H](CC2=CC=CC=C2)C(NCCCC[C@@H](NC(N[C@@H](C(O)=O)CCC/N=C(N)\N)=O)C(N[C@@H](C(C)C)C(N[C@@H](CCC3=CC=C(O)C=C3)C(N1C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C41H60N10O9/c1-24(2)33-37(56)46-30(20-17-26-15-18-28(52)19-16-26)38(57)51(4)25(3)34(53)47-32(23-27-11-6-5-7-12-27)35(54)44-21-9-8-13-29(36(55)50-33)48-41(60)49-31(39(58)59)14-10-22-45-40(42)43/h5-7,11-12,15-16,18-19,24-25,29-33,52H,8-10,13-14,17,20-23H2,1-4H3,(H,44,54)(H,46,56)(H,47,53)(H,50,55)(H,58,59)(H4,42,43,45)(H2,48,49,60)/t25-,29+,30-,31+,32-,33-/m0/s1
+CH$LINK: PUBCHEM CID:155802447
+CH$LINK: INCHIKEY ZDOVFDLIJJGVQM-RRKFYBCGSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 87-873
+AC$CHROMATOGRAPHY: COLUMN_NAME Acwuity UPLC HSS T3 1.8um, 3x100mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 85/15 at 0 min, 0/100 at 21 min, 0/100 at 25 min, 2/98 at 25.1 min, 2/98 at 31 min, 85/15 at 31.1 min, 85/15 at 33 min
+AC$CHROMATOGRAPHY: FLOW_RATE 300 uL/min at 0 min, 650 uL/min at 25.1 min, 300 uL/min at 31.1 min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.106 min
+MS$FOCUSED_ION: BASE_PEAK 116.9285
+MS$FOCUSED_ION: PRECURSOR_M/Z 835.4472
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0w9r-0911402000-eb9e341b1c7a3e20ecc4
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  101.072 C4H9N2O- 1 101.072 -0.33
+  127.0515 C5H7N2O2- 1 127.0513 1.87
+  131.0825 C5H11N2O2- 1 131.0826 -0.63
+  156.0774 C6H10N3O2- 1 156.0779 -2.92
+  173.1038 C5H17O6- 3 173.1031 4.28
+  229.1336 C12H15N5- 2 229.1333 1.41
+  261.1237 C12H15N5O2- 2 261.1231 2.06
+  300.1336 C14H16N6O2- 3 300.134 -1.34
+  366.2194 C8H30N8O8- 4 366.2192 0.53
+  402.2139 C19H32NO8- 4 402.2133 1.34
+  460.258 C23H34N5O5- 4 460.2565 3.07
+  661.3355 C35H45N6O7- 6 661.3355 -0.07
+PK$NUM_PEAK: 12
+PK$PEAK: m/z int. rel.int.
+  101.072 13648.8 28
+  127.0515 24961.5 51
+  131.0825 485140.5 999
+  156.0774 60254.1 124
+  173.1038 316861.7 652
+  229.1336 98943.5 203
+  261.1237 43942.7 90
+  300.1336 113956 234
+  366.2194 31025 63
+  402.2139 390339.4 803
+  460.258 38182.3 78
+  661.3355 270974 557
+//
diff --git a/Eawag/MSBNK-EAWAG-ED086757.txt b/Eawag/MSBNK-EAWAG-ED086757.txt
new file mode 100644
index 0000000000..1d64708466
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED086757.txt
@@ -0,0 +1,65 @@
+ACCESSION: MSBNK-EAWAG-ED086757
+RECORD_TITLE: Anabaenopeptin B; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], V. Rouge [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 867
+CH$NAME: Anabaenopeptin B
+CH$NAME: (2R)-2-[[(3S,6S,9S,12S,15R)-3-benzyl-9-[2-(4-hydroxyphenyl)ethyl]-6,7-dimethyl-2,5,8,11,14-pentaoxo-12-propan-2-yl-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]-5-(diaminomethylideneamino)pentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C41H60N10O9
+CH$EXACT_MASS: 836.4544735
+CH$SMILES: C[C@H]1C(N[C@@H](CC2=CC=CC=C2)C(NCCCC[C@@H](NC(N[C@@H](C(O)=O)CCC/N=C(N)\N)=O)C(N[C@@H](C(C)C)C(N[C@@H](CCC3=CC=C(O)C=C3)C(N1C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C41H60N10O9/c1-24(2)33-37(56)46-30(20-17-26-15-18-28(52)19-16-26)38(57)51(4)25(3)34(53)47-32(23-27-11-6-5-7-12-27)35(54)44-21-9-8-13-29(36(55)50-33)48-41(60)49-31(39(58)59)14-10-22-45-40(42)43/h5-7,11-12,15-16,18-19,24-25,29-33,52H,8-10,13-14,17,20-23H2,1-4H3,(H,44,54)(H,46,56)(H,47,53)(H,50,55)(H,58,59)(H4,42,43,45)(H2,48,49,60)/t25-,29+,30-,31+,32-,33-/m0/s1
+CH$LINK: PUBCHEM CID:155802447
+CH$LINK: INCHIKEY ZDOVFDLIJJGVQM-RRKFYBCGSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 87-873
+AC$CHROMATOGRAPHY: COLUMN_NAME Acwuity UPLC HSS T3 1.8um, 3x100mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 85/15 at 0 min, 0/100 at 21 min, 0/100 at 25 min, 2/98 at 25.1 min, 2/98 at 31 min, 85/15 at 31.1 min, 85/15 at 33 min
+AC$CHROMATOGRAPHY: FLOW_RATE 300 uL/min at 0 min, 650 uL/min at 25.1 min, 300 uL/min at 31.1 min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.106 min
+MS$FOCUSED_ION: BASE_PEAK 116.9285
+MS$FOCUSED_ION: PRECURSOR_M/Z 835.4472
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-001i-0920000000-743e910c8e4d33266078
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  101.072 C4H9N2O- 1 101.072 0.12
+  119.0503 C8H7O- 1 119.0502 0.74
+  131.0825 C5H11N2O2- 1 131.0826 -0.98
+  141.0667 C6H9N2O2- 1 141.067 -1.61
+  153.0664 C7H9N2O2- 1 153.067 -3.3
+  156.0778 C6H10N3O2- 1 156.0779 -0.38
+  173.1034 C5H17O6- 2 173.1031 2.17
+  189.0665 C10H9N2O2- 2 189.067 -2.61
+  227.1171 C12H13N5- 2 227.1176 -2.4
+  229.1332 C12H15N5- 1 229.1333 -0.52
+  231.1127 C11H13N5O- 1 231.1126 0.57
+  331.2126 C16H25N7O- 5 331.2126 -0.14
+PK$NUM_PEAK: 12
+PK$PEAK: m/z int. rel.int.
+  101.072 47695.3 79
+  119.0503 51043 84
+  131.0825 601205.2 999
+  141.0667 48056.6 79
+  153.0664 13298.3 22
+  156.0778 64151.6 106
+  173.1034 98805.1 164
+  189.0665 22408.3 37
+  227.1171 42959.1 71
+  229.1332 174605.7 290
+  231.1127 30253.8 50
+  331.2126 55177.5 91
+//
diff --git a/Eawag/MSBNK-EAWAG-ED086758.txt b/Eawag/MSBNK-EAWAG-ED086758.txt
new file mode 100644
index 0000000000..6683ff0c6e
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED086758.txt
@@ -0,0 +1,61 @@
+ACCESSION: MSBNK-EAWAG-ED086758
+RECORD_TITLE: Anabaenopeptin B; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], V. Rouge [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 867
+CH$NAME: Anabaenopeptin B
+CH$NAME: (2R)-2-[[(3S,6S,9S,12S,15R)-3-benzyl-9-[2-(4-hydroxyphenyl)ethyl]-6,7-dimethyl-2,5,8,11,14-pentaoxo-12-propan-2-yl-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]-5-(diaminomethylideneamino)pentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C41H60N10O9
+CH$EXACT_MASS: 836.4544735
+CH$SMILES: C[C@H]1C(N[C@@H](CC2=CC=CC=C2)C(NCCCC[C@@H](NC(N[C@@H](C(O)=O)CCC/N=C(N)\N)=O)C(N[C@@H](C(C)C)C(N[C@@H](CCC3=CC=C(O)C=C3)C(N1C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C41H60N10O9/c1-24(2)33-37(56)46-30(20-17-26-15-18-28(52)19-16-26)38(57)51(4)25(3)34(53)47-32(23-27-11-6-5-7-12-27)35(54)44-21-9-8-13-29(36(55)50-33)48-41(60)49-31(39(58)59)14-10-22-45-40(42)43/h5-7,11-12,15-16,18-19,24-25,29-33,52H,8-10,13-14,17,20-23H2,1-4H3,(H,44,54)(H,46,56)(H,47,53)(H,50,55)(H,58,59)(H4,42,43,45)(H2,48,49,60)/t25-,29+,30-,31+,32-,33-/m0/s1
+CH$LINK: PUBCHEM CID:155802447
+CH$LINK: INCHIKEY ZDOVFDLIJJGVQM-RRKFYBCGSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 87-873
+AC$CHROMATOGRAPHY: COLUMN_NAME Acwuity UPLC HSS T3 1.8um, 3x100mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 85/15 at 0 min, 0/100 at 21 min, 0/100 at 25 min, 2/98 at 25.1 min, 2/98 at 31 min, 85/15 at 31.1 min, 85/15 at 33 min
+AC$CHROMATOGRAPHY: FLOW_RATE 300 uL/min at 0 min, 650 uL/min at 25.1 min, 300 uL/min at 31.1 min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.106 min
+MS$FOCUSED_ION: BASE_PEAK 116.9285
+MS$FOCUSED_ION: PRECURSOR_M/Z 835.4472
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-001i-0910000000-5d66e94ff222328249e0
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  101.072 C4H9N2O- 1 101.072 -0.18
+  107.0505 C7H7O- 1 107.0502 2.63
+  119.0501 C8H7O- 1 119.0502 -1.31
+  127.0517 C5H7N2O2- 1 127.0513 3.19
+  131.0825 C5H11N2O2- 1 131.0826 -0.75
+  141.0665 C6H9N2O2- 1 141.067 -3.45
+  153.0665 C7H9N2O2- 1 153.067 -3.1
+  156.0777 C6H10N3O2- 1 156.0779 -0.77
+  227.1187 C12H13N5- 3 227.1176 4.52
+  229.1329 C12H15N5- 2 229.1333 -1.72
+PK$NUM_PEAK: 10
+PK$PEAK: m/z int. rel.int.
+  101.072 62887.4 98
+  107.0505 22749.9 35
+  119.0501 49889.6 77
+  127.0517 27477.9 42
+  131.0825 640793.6 999
+  141.0665 41418.8 64
+  153.0665 9775.4 15
+  156.0777 39443.7 61
+  227.1187 33440.2 52
+  229.1329 83011.4 129
+//
diff --git a/Eawag/MSBNK-EAWAG-ED086759.txt b/Eawag/MSBNK-EAWAG-ED086759.txt
new file mode 100644
index 0000000000..f67fb4eb87
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED086759.txt
@@ -0,0 +1,53 @@
+ACCESSION: MSBNK-EAWAG-ED086759
+RECORD_TITLE: Anabaenopeptin B; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], V. Rouge [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 867
+CH$NAME: Anabaenopeptin B
+CH$NAME: (2R)-2-[[(3S,6S,9S,12S,15R)-3-benzyl-9-[2-(4-hydroxyphenyl)ethyl]-6,7-dimethyl-2,5,8,11,14-pentaoxo-12-propan-2-yl-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]-5-(diaminomethylideneamino)pentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C41H60N10O9
+CH$EXACT_MASS: 836.4544735
+CH$SMILES: C[C@H]1C(N[C@@H](CC2=CC=CC=C2)C(NCCCC[C@@H](NC(N[C@@H](C(O)=O)CCC/N=C(N)\N)=O)C(N[C@@H](C(C)C)C(N[C@@H](CCC3=CC=C(O)C=C3)C(N1C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C41H60N10O9/c1-24(2)33-37(56)46-30(20-17-26-15-18-28(52)19-16-26)38(57)51(4)25(3)34(53)47-32(23-27-11-6-5-7-12-27)35(54)44-21-9-8-13-29(36(55)50-33)48-41(60)49-31(39(58)59)14-10-22-45-40(42)43/h5-7,11-12,15-16,18-19,24-25,29-33,52H,8-10,13-14,17,20-23H2,1-4H3,(H,44,54)(H,46,56)(H,47,53)(H,50,55)(H,58,59)(H4,42,43,45)(H2,48,49,60)/t25-,29+,30-,31+,32-,33-/m0/s1
+CH$LINK: PUBCHEM CID:155802447
+CH$LINK: INCHIKEY ZDOVFDLIJJGVQM-RRKFYBCGSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 87-873
+AC$CHROMATOGRAPHY: COLUMN_NAME Acwuity UPLC HSS T3 1.8um, 3x100mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 85/15 at 0 min, 0/100 at 21 min, 0/100 at 25 min, 2/98 at 25.1 min, 2/98 at 31 min, 85/15 at 31.1 min, 85/15 at 33 min
+AC$CHROMATOGRAPHY: FLOW_RATE 300 uL/min at 0 min, 650 uL/min at 25.1 min, 300 uL/min at 31.1 min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.106 min
+MS$FOCUSED_ION: BASE_PEAK 116.9285
+MS$FOCUSED_ION: PRECURSOR_M/Z 835.4472
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-001i-0900000000-b77cfd44dbb190c6982d
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  101.0719 C4H9N2O- 1 101.072 -1.69
+  119.0502 C8H7O- 1 119.0502 -0.6
+  131.0825 C5H11N2O2- 1 131.0826 -0.75
+  141.0666 C6H9N2O2- 1 141.067 -2.69
+  146.0608 C9H8NO- 1 146.0611 -2.31
+  156.0779 C6H10N3O2- 1 156.0779 0.4
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  101.0719 34504.3 52
+  119.0502 47454.6 72
+  131.0825 651318.4 999
+  141.0666 33399.4 51
+  146.0608 25586 39
+  156.0779 21230.6 32
+//
diff --git a/Eawag/MSBNK-EAWAG-ED086790.txt b/Eawag/MSBNK-EAWAG-ED086790.txt
new file mode 100644
index 0000000000..ca02e3ec3f
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED086790.txt
@@ -0,0 +1,57 @@
+ACCESSION: MSBNK-EAWAG-ED086790
+RECORD_TITLE: Anabaenopeptin B; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+2H]2+; First mass: auto
+DATE: 2024.04.29
+AUTHORS: E. Janssen [dtc], V. Rouge [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 867
+CH$NAME: Anabaenopeptin B
+CH$NAME: (2R)-2-[[(3S,6S,9S,12S,15R)-3-benzyl-9-[2-(4-hydroxyphenyl)ethyl]-6,7-dimethyl-2,5,8,11,14-pentaoxo-12-propan-2-yl-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]-5-(diaminomethylideneamino)pentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C41H60N10O9
+CH$EXACT_MASS: 836.4544735
+CH$SMILES: C[C@H]1C(N[C@@H](CC2=CC=CC=C2)C(NCCCC[C@@H](NC(N[C@@H](C(O)=O)CCC/N=C(N)\N)=O)C(N[C@@H](C(C)C)C(N[C@@H](CCC3=CC=C(O)C=C3)C(N1C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C41H60N10O9/c1-24(2)33-37(56)46-30(20-17-26-15-18-28(52)19-16-26)38(57)51(4)25(3)34(53)47-32(23-27-11-6-5-7-12-27)35(54)44-21-9-8-13-29(36(55)50-33)48-41(60)49-31(39(58)59)14-10-22-45-40(42)43/h5-7,11-12,15-16,18-19,24-25,29-33,52H,8-10,13-14,17,20-23H2,1-4H3,(H,44,54)(H,46,56)(H,47,53)(H,50,55)(H,58,59)(H4,42,43,45)(H2,48,49,60)/t25-,29+,30-,31+,32-,33-/m0/s1
+CH$LINK: PUBCHEM CID:155802447
+CH$LINK: INCHIKEY ZDOVFDLIJJGVQM-RRKFYBCGSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 87-877
+AC$CHROMATOGRAPHY: COLUMN_NAME Acwuity UPLC HSS T3 1.8um, 3x100mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 85/15 at 0 min, 0/100 at 21 min, 0/100 at 25 min, 2/98 at 25.1 min, 2/98 at 31 min, 85/15 at 31.1 min, 85/15 at 33 min
+AC$CHROMATOGRAPHY: FLOW_RATE 300 uL/min at 0 min, 650 uL/min at 25.1 min, 300 uL/min at 31.1 min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.087 min
+MS$FOCUSED_ION: BASE_PEAK 419.2339
+MS$FOCUSED_ION: PRECURSOR_M/Z 419.2345
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+2H]2+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-014i-0000900000-986542611c3fc0a0de43
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  114.0542 C5H8NO2+ 1 114.0544 -1.62
+  150.0908 C9H12NO+ 1 150.0908 0.05
+  201.0972 C7H13N4O3+ 3 201.0977 -2.26
+  263.1376 C12H17N5O2+ 2 263.1371 1.62
+  405.2368 C20H31N5O4+ 5 405.2365 0.64
+  419.2341 C29H29N3+ 4 419.2351 -2.35
+  575.33 C27H43N8O6+ 5 575.3295 1
+  752.4085 C37H54N9O8+ 3 752.4084 0.14
+PK$NUM_PEAK: 8
+PK$PEAK: m/z int. rel.int.
+  114.0542 180711.8 11
+  150.0908 296535.3 18
+  201.0972 178421.1 10
+  263.1376 879233.8 54
+  405.2368 1115064.8 68
+  419.2341 16233406 999
+  575.33 971889.1 59
+  752.4085 391460.3 24
+//
diff --git a/Eawag/MSBNK-EAWAG-ED086791.txt b/Eawag/MSBNK-EAWAG-ED086791.txt
new file mode 100644
index 0000000000..d02c1defa9
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED086791.txt
@@ -0,0 +1,81 @@
+ACCESSION: MSBNK-EAWAG-ED086791
+RECORD_TITLE: Anabaenopeptin B; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+2H]2+; First mass: auto
+DATE: 2024.04.29
+AUTHORS: E. Janssen [dtc], V. Rouge [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 867
+CH$NAME: Anabaenopeptin B
+CH$NAME: (2R)-2-[[(3S,6S,9S,12S,15R)-3-benzyl-9-[2-(4-hydroxyphenyl)ethyl]-6,7-dimethyl-2,5,8,11,14-pentaoxo-12-propan-2-yl-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]-5-(diaminomethylideneamino)pentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C41H60N10O9
+CH$EXACT_MASS: 836.4544735
+CH$SMILES: C[C@H]1C(N[C@@H](CC2=CC=CC=C2)C(NCCCC[C@@H](NC(N[C@@H](C(O)=O)CCC/N=C(N)\N)=O)C(N[C@@H](C(C)C)C(N[C@@H](CCC3=CC=C(O)C=C3)C(N1C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C41H60N10O9/c1-24(2)33-37(56)46-30(20-17-26-15-18-28(52)19-16-26)38(57)51(4)25(3)34(53)47-32(23-27-11-6-5-7-12-27)35(54)44-21-9-8-13-29(36(55)50-33)48-41(60)49-31(39(58)59)14-10-22-45-40(42)43/h5-7,11-12,15-16,18-19,24-25,29-33,52H,8-10,13-14,17,20-23H2,1-4H3,(H,44,54)(H,46,56)(H,47,53)(H,50,55)(H,58,59)(H4,42,43,45)(H2,48,49,60)/t25-,29+,30-,31+,32-,33-/m0/s1
+CH$LINK: PUBCHEM CID:155802447
+CH$LINK: INCHIKEY ZDOVFDLIJJGVQM-RRKFYBCGSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 87-877
+AC$CHROMATOGRAPHY: COLUMN_NAME Acwuity UPLC HSS T3 1.8um, 3x100mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 85/15 at 0 min, 0/100 at 21 min, 0/100 at 25 min, 2/98 at 25.1 min, 2/98 at 31 min, 85/15 at 31.1 min, 85/15 at 33 min
+AC$CHROMATOGRAPHY: FLOW_RATE 300 uL/min at 0 min, 650 uL/min at 25.1 min, 300 uL/min at 31.1 min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.087 min
+MS$FOCUSED_ION: BASE_PEAK 419.2339
+MS$FOCUSED_ION: PRECURSOR_M/Z 419.2345
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+2H]2+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-014i-0110911100-7113bd05a2cd306cbeb1
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  107.0483 C7H7O+ 1 107.0486 -2.29
+  114.0542 C5H8NO2+ 1 114.0544 -1.42
+  150.0906 C9H12NO+ 1 150.0908 -1.07
+  175.118 C6H15N4O2+ 1 175.1184 -2.4
+  201.0971 C7H13N4O3+ 3 201.0977 -3.02
+  205.132 C12H17N2O+ 2 205.133 -4.59
+  233.1277 C13H17N2O2+ 2 233.1279 -0.81
+  263.1374 C12H17N5O2+ 2 263.1371 1.16
+  274.1702 C5H22N8O5+ 3 274.1702 -0.2
+  281.1598 C13H21N4O3+ 3 281.1603 -1.77
+  405.2366 C20H31N5O4+ 5 405.2365 0.11
+  419.2342 C29H29N3+ 4 419.2351 -2.13
+  476.2608 C24H36N4O6+ 4 476.2624 -3.26
+  547.3341 C26H43N8O5+ 4 547.3345 -0.73
+  575.3298 C27H43N8O6+ 5 575.3295 0.58
+  605.3398 C28H45N8O7+ 6 605.34 -0.41
+  637.3728 C37H47N7O3+ 8 637.3729 -0.16
+  660.3833 C33H52N6O8+ 5 660.3836 -0.41
+  661.3857 C40H49N6O3+ 4 661.3855 0.24
+  752.4087 C37H54N9O8+ 3 752.4084 0.39
+PK$NUM_PEAK: 20
+PK$PEAK: m/z int. rel.int.
+  107.0483 117858.9 20
+  114.0542 407712.8 69
+  150.0906 774277.7 131
+  175.118 352385.3 59
+  201.0971 504698 85
+  205.132 101535 17
+  233.1277 126956.9 21
+  263.1374 724201.4 122
+  274.1702 77453 13
+  281.1598 97055.2 16
+  405.2366 1935009 328
+  419.2342 5882134 999
+  476.2608 68030.3 11
+  547.3341 107810.5 18
+  575.3298 1133612 192
+  605.3398 224962.1 38
+  637.3728 122220.7 20
+  660.3833 831750.9 141
+  661.3857 161954.3 27
+  752.4087 1229001.5 208
+//
diff --git a/Eawag/MSBNK-EAWAG-ED086792.txt b/Eawag/MSBNK-EAWAG-ED086792.txt
new file mode 100644
index 0000000000..7c0587deb7
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED086792.txt
@@ -0,0 +1,97 @@
+ACCESSION: MSBNK-EAWAG-ED086792
+RECORD_TITLE: Anabaenopeptin B; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+2H]2+; First mass: auto
+DATE: 2024.04.29
+AUTHORS: E. Janssen [dtc], V. Rouge [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 867
+CH$NAME: Anabaenopeptin B
+CH$NAME: (2R)-2-[[(3S,6S,9S,12S,15R)-3-benzyl-9-[2-(4-hydroxyphenyl)ethyl]-6,7-dimethyl-2,5,8,11,14-pentaoxo-12-propan-2-yl-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]-5-(diaminomethylideneamino)pentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C41H60N10O9
+CH$EXACT_MASS: 836.4544735
+CH$SMILES: C[C@H]1C(N[C@@H](CC2=CC=CC=C2)C(NCCCC[C@@H](NC(N[C@@H](C(O)=O)CCC/N=C(N)\N)=O)C(N[C@@H](C(C)C)C(N[C@@H](CCC3=CC=C(O)C=C3)C(N1C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C41H60N10O9/c1-24(2)33-37(56)46-30(20-17-26-15-18-28(52)19-16-26)38(57)51(4)25(3)34(53)47-32(23-27-11-6-5-7-12-27)35(54)44-21-9-8-13-29(36(55)50-33)48-41(60)49-31(39(58)59)14-10-22-45-40(42)43/h5-7,11-12,15-16,18-19,24-25,29-33,52H,8-10,13-14,17,20-23H2,1-4H3,(H,44,54)(H,46,56)(H,47,53)(H,50,55)(H,58,59)(H4,42,43,45)(H2,48,49,60)/t25-,29+,30-,31+,32-,33-/m0/s1
+CH$LINK: PUBCHEM CID:155802447
+CH$LINK: INCHIKEY ZDOVFDLIJJGVQM-RRKFYBCGSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 87-877
+AC$CHROMATOGRAPHY: COLUMN_NAME Acwuity UPLC HSS T3 1.8um, 3x100mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 85/15 at 0 min, 0/100 at 21 min, 0/100 at 25 min, 2/98 at 25.1 min, 2/98 at 31 min, 85/15 at 31.1 min, 85/15 at 33 min
+AC$CHROMATOGRAPHY: FLOW_RATE 300 uL/min at 0 min, 650 uL/min at 25.1 min, 300 uL/min at 31.1 min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.087 min
+MS$FOCUSED_ION: BASE_PEAK 419.2339
+MS$FOCUSED_ION: PRECURSOR_M/Z 419.2345
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+2H]2+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0w4i-0891643200-26db1bd1dd9639d2ba95
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  107.0485 C7H7O+ 1 107.0486 -0.51
+  114.0542 C5H8NO2+ 1 114.0544 -1.42
+  120.08 C8H10N+ 1 120.0802 -1.75
+  150.0907 C9H12NO+ 1 150.0908 -0.56
+  151.0944 C4H13N3O3+ 1 151.0946 -1.33
+  175.1181 C6H15N4O2+ 1 175.1184 -1.79
+  201.0972 C7H13N4O3+ 3 201.0977 -2.19
+  205.1325 C12H17N2O+ 2 205.133 -2.43
+  231.1484 C14H19N2O+ 3 231.1486 -0.89
+  233.1278 C13H17N2O2+ 1 233.1279 -0.42
+  263.1377 C12H17N5O2+ 3 263.1371 2.09
+  267.1622 C4H23N6O7+ 4 267.1617 1.75
+  274.17 C5H22N8O5+ 3 274.1702 -0.97
+  281.1597 C13H21N4O3+ 3 281.1603 -1.87
+  331.1964 C14H27N4O5+ 3 331.197 -1.97
+  363.2114 C15H25N9O2+ 4 363.212 -1.82
+  405.2367 C20H31N5O4+ 5 405.2365 0.49
+  419.2343 C29H29N3+ 4 419.2351 -1.91
+  476.2624 C24H36N4O6+ 4 476.2624 -0.06
+  524.3249 C31H44N2O5+ 6 524.3239 1.83
+  547.3348 C26H43N8O5+ 5 547.3345 0.5
+  561.3161 C28H43N5O7+ 5 561.3152 1.75
+  575.3303 C29H45N5O7+ 5 575.3308 -0.8
+  605.3411 C30H47N5O8+ 6 605.3414 -0.41
+  637.3729 C37H47N7O3+ 8 637.3729 -0.07
+  660.3834 C33H52N6O8+ 5 660.3836 -0.23
+  724.4142 C38H56N6O8+ 5 724.4149 -0.88
+  753.4129 C37H55N9O8+ 1 753.4163 -4.41
+PK$NUM_PEAK: 28
+PK$PEAK: m/z int. rel.int.
+  107.0485 316145.2 238
+  114.0542 554021.4 418
+  120.08 71820 54
+  150.0907 828521.7 625
+  151.0944 26183.2 19
+  175.1181 729547 550
+  201.0972 1323477.1 999
+  205.1325 175850.6 132
+  231.1484 27863.7 21
+  233.1278 97190.7 73
+  263.1377 349424.7 263
+  267.1622 119959.5 90
+  274.17 252604.1 190
+  281.1597 186139.3 140
+  331.1964 228914.6 172
+  363.2114 187257.4 141
+  405.2367 970516 732
+  419.2343 747480.3 564
+  476.2624 113656.3 85
+  524.3249 69003.7 52
+  547.3348 242660.1 183
+  561.3161 55483.4 41
+  575.3303 823719.4 621
+  605.3411 209246.3 157
+  637.3729 60364.4 45
+  660.3834 730765.7 551
+  724.4142 289801.8 218
+  753.4129 322913.2 243
+//
diff --git a/Eawag/MSBNK-EAWAG-ED086793.txt b/Eawag/MSBNK-EAWAG-ED086793.txt
new file mode 100644
index 0000000000..8dab4d98fb
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED086793.txt
@@ -0,0 +1,89 @@
+ACCESSION: MSBNK-EAWAG-ED086793
+RECORD_TITLE: Anabaenopeptin B; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+2H]2+; First mass: auto
+DATE: 2024.04.29
+AUTHORS: E. Janssen [dtc], V. Rouge [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 867
+CH$NAME: Anabaenopeptin B
+CH$NAME: (2R)-2-[[(3S,6S,9S,12S,15R)-3-benzyl-9-[2-(4-hydroxyphenyl)ethyl]-6,7-dimethyl-2,5,8,11,14-pentaoxo-12-propan-2-yl-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]-5-(diaminomethylideneamino)pentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C41H60N10O9
+CH$EXACT_MASS: 836.4544735
+CH$SMILES: C[C@H]1C(N[C@@H](CC2=CC=CC=C2)C(NCCCC[C@@H](NC(N[C@@H](C(O)=O)CCC/N=C(N)\N)=O)C(N[C@@H](C(C)C)C(N[C@@H](CCC3=CC=C(O)C=C3)C(N1C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C41H60N10O9/c1-24(2)33-37(56)46-30(20-17-26-15-18-28(52)19-16-26)38(57)51(4)25(3)34(53)47-32(23-27-11-6-5-7-12-27)35(54)44-21-9-8-13-29(36(55)50-33)48-41(60)49-31(39(58)59)14-10-22-45-40(42)43/h5-7,11-12,15-16,18-19,24-25,29-33,52H,8-10,13-14,17,20-23H2,1-4H3,(H,44,54)(H,46,56)(H,47,53)(H,50,55)(H,58,59)(H4,42,43,45)(H2,48,49,60)/t25-,29+,30-,31+,32-,33-/m0/s1
+CH$LINK: PUBCHEM CID:155802447
+CH$LINK: INCHIKEY ZDOVFDLIJJGVQM-RRKFYBCGSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 87-877
+AC$CHROMATOGRAPHY: COLUMN_NAME Acwuity UPLC HSS T3 1.8um, 3x100mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 85/15 at 0 min, 0/100 at 21 min, 0/100 at 25 min, 2/98 at 25.1 min, 2/98 at 31 min, 85/15 at 31.1 min, 85/15 at 33 min
+AC$CHROMATOGRAPHY: FLOW_RATE 300 uL/min at 0 min, 650 uL/min at 25.1 min, 300 uL/min at 31.1 min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.087 min
+MS$FOCUSED_ION: BASE_PEAK 419.2339
+MS$FOCUSED_ION: PRECURSOR_M/Z 419.2345
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+2H]2+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0udi-0890011200-0a49d231b1800ab79f47
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  107.0486 C7H7O+ 1 107.0486 0.06
+  114.0543 C5H8NO2+ 1 114.0544 -0.95
+  120.0801 C8H10N+ 1 120.0802 -1.24
+  133.0638 C9H9O+ 1 133.0642 -3.37
+  150.0907 C9H12NO+ 1 150.0908 -0.56
+  151.0939 C4H13N3O3+ 2 151.0946 -4.66
+  175.1181 C6H15N4O2+ 1 175.1184 -1.62
+  201.0972 C7H13N4O3+ 3 201.0977 -2.34
+  202.1004 CH18N2O9+ 2 202.1001 1.14
+  205.1324 C12H17N2O+ 2 205.133 -2.73
+  218.1243 C7H16N5O3+ 1 218.1242 0.36
+  231.1485 C14H19N2O+ 3 231.1486 -0.82
+  257.1592 C11H21N4O3+ 3 257.1603 -4.17
+  267.1624 C4H23N6O7+ 4 267.1617 2.66
+  274.1696 C5H22N8O5+ 2 274.1702 -2.42
+  281.1603 C13H21N4O3+ 4 281.1603 -0.03
+  347.2426 C19H31N4O2+ 6 347.2436 -2.78
+  428.2618 C18H34N7O5+ 6 428.261 1.83
+  574.3464 C30H42N10O2+ 6 574.3481 -3.02
+  575.3299 C27H43N8O6+ 5 575.3295 0.68
+  605.3387 C28H45N8O7+ 5 605.34 -2.23
+  660.3833 C33H52N6O8+ 5 660.3836 -0.41
+  724.4159 C38H56N6O8+ 5 724.4149 1.4
+  752.4085 C37H54N9O8+ 3 752.4084 0.06
+PK$NUM_PEAK: 24
+PK$PEAK: m/z int. rel.int.
+  107.0486 606863.9 271
+  114.0543 426691.9 190
+  120.0801 136877.3 61
+  133.0638 43390.5 19
+  150.0907 598708.2 267
+  151.0939 34045.7 15
+  175.1181 950073.6 424
+  201.0972 2235409.8 999
+  202.1004 76560.3 34
+  205.1324 137292.2 61
+  218.1243 25659.8 11
+  231.1485 72839.9 32
+  257.1592 99649.2 44
+  267.1624 38532.3 17
+  274.1696 267653.2 119
+  281.1603 153477.5 68
+  347.2426 49413 22
+  428.2618 77100.6 34
+  574.3464 62843 28
+  575.3299 506645.3 226
+  605.3387 85009 37
+  660.3833 266779.2 119
+  724.4159 302852.1 135
+  752.4085 604200.4 270
+//
diff --git a/Eawag/MSBNK-EAWAG-ED086794.txt b/Eawag/MSBNK-EAWAG-ED086794.txt
new file mode 100644
index 0000000000..68850c9e27
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED086794.txt
@@ -0,0 +1,93 @@
+ACCESSION: MSBNK-EAWAG-ED086794
+RECORD_TITLE: Anabaenopeptin B; LC-ESI-QFT; MS2; CE: 35%; R=15000; [M+2H]2+; First mass: auto
+DATE: 2024.04.29
+AUTHORS: E. Janssen [dtc], V. Rouge [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 867
+CH$NAME: Anabaenopeptin B
+CH$NAME: (2R)-2-[[(3S,6S,9S,12S,15R)-3-benzyl-9-[2-(4-hydroxyphenyl)ethyl]-6,7-dimethyl-2,5,8,11,14-pentaoxo-12-propan-2-yl-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]-5-(diaminomethylideneamino)pentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C41H60N10O9
+CH$EXACT_MASS: 836.4544735
+CH$SMILES: C[C@H]1C(N[C@@H](CC2=CC=CC=C2)C(NCCCC[C@@H](NC(N[C@@H](C(O)=O)CCC/N=C(N)\N)=O)C(N[C@@H](C(C)C)C(N[C@@H](CCC3=CC=C(O)C=C3)C(N1C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C41H60N10O9/c1-24(2)33-37(56)46-30(20-17-26-15-18-28(52)19-16-26)38(57)51(4)25(3)34(53)47-32(23-27-11-6-5-7-12-27)35(54)44-21-9-8-13-29(36(55)50-33)48-41(60)49-31(39(58)59)14-10-22-45-40(42)43/h5-7,11-12,15-16,18-19,24-25,29-33,52H,8-10,13-14,17,20-23H2,1-4H3,(H,44,54)(H,46,56)(H,47,53)(H,50,55)(H,58,59)(H4,42,43,45)(H2,48,49,60)/t25-,29+,30-,31+,32-,33-/m0/s1
+CH$LINK: PUBCHEM CID:155802447
+CH$LINK: INCHIKEY ZDOVFDLIJJGVQM-RRKFYBCGSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 35 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 87-877
+AC$CHROMATOGRAPHY: COLUMN_NAME Acwuity UPLC HSS T3 1.8um, 3x100mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 85/15 at 0 min, 0/100 at 21 min, 0/100 at 25 min, 2/98 at 25.1 min, 2/98 at 31 min, 85/15 at 31.1 min, 85/15 at 33 min
+AC$CHROMATOGRAPHY: FLOW_RATE 300 uL/min at 0 min, 650 uL/min at 25.1 min, 300 uL/min at 31.1 min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.087 min
+MS$FOCUSED_ION: BASE_PEAK 419.2339
+MS$FOCUSED_ION: PRECURSOR_M/Z 419.2345
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+2H]2+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0udi-0790010000-044f40f4cd3caa06e3e2
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  107.0485 C7H7O+ 1 107.0486 -0.8
+  112.0861 C5H10N3+ 1 112.0864 -2.66
+  114.0543 C5H8NO2+ 1 114.0544 -0.95
+  120.0801 C8H10N+ 1 120.0802 -0.92
+  133.0644 C9H9O+ 1 133.0642 0.99
+  150.0906 C9H12NO+ 1 150.0908 -0.97
+  157.1077 C6H13N4O+ 1 157.1078 -0.84
+  175.1181 C6H15N4O2+ 1 175.1184 -1.97
+  201.0971 C7H13N4O3+ 3 201.0977 -2.64
+  205.1324 C12H17N2O+ 2 205.133 -2.88
+  218.1239 C7H16N5O3+ 3 218.1242 -1.32
+  257.1595 C11H21N4O3+ 3 257.1603 -2.86
+  263.1377 C12H17N5O2+ 3 263.1371 2.32
+  274.17 C5H22N8O5+ 3 274.1702 -0.97
+  347.2428 C19H31N4O2+ 4 347.2436 -2.34
+  373.2223 C20H29N4O3+ 4 373.2229 -1.61
+  403.2352 C23H33NO5+ 5 403.2348 1.05
+  428.2609 C18H34N7O5+ 4 428.261 -0.31
+  476.2615 C24H36N4O6+ 6 476.2624 -1.79
+  547.3342 C26H43N8O5+ 4 547.3345 -0.62
+  575.3302 C29H45N5O7+ 5 575.3308 -1.02
+  605.3421 C30H47N5O8+ 5 605.3414 1.2
+  618.3733 C31H50N6O7+ 6 618.373 0.42
+  724.4155 C38H56N6O8+ 5 724.4149 0.81
+  752.4088 C37H54N9O8+ 3 752.4084 0.55
+  753.4156 C37H55N9O8+ 3 753.4163 -0.84
+PK$NUM_PEAK: 26
+PK$PEAK: m/z int. rel.int.
+  107.0485 1052518.9 271
+  112.0861 54434.3 14
+  114.0543 432627.7 111
+  120.0801 346465.9 89
+  133.0644 48223.6 12
+  150.0906 504727.1 129
+  157.1077 54049.2 13
+  175.1181 1443339.4 371
+  201.0971 3879117 999
+  205.1324 116900.6 30
+  218.1239 60639.1 15
+  257.1595 113178.9 29
+  263.1377 40305.1 10
+  274.17 313009.1 80
+  347.2428 102338.1 26
+  373.2223 108124.6 27
+  403.2352 44268.7 11
+  428.2609 63203.1 16
+  476.2615 323279.6 83
+  547.3342 373383.8 96
+  575.3302 333754.1 85
+  605.3421 50378.4 12
+  618.3733 104721.4 26
+  724.4155 171216.9 44
+  752.4088 194231.7 50
+  753.4156 41498.5 10
+//
diff --git a/Eawag/MSBNK-EAWAG-ED086795.txt b/Eawag/MSBNK-EAWAG-ED086795.txt
new file mode 100644
index 0000000000..5e2dc464b1
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED086795.txt
@@ -0,0 +1,79 @@
+ACCESSION: MSBNK-EAWAG-ED086795
+RECORD_TITLE: Anabaenopeptin B; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+2H]2+; First mass: auto
+DATE: 2024.04.29
+AUTHORS: E. Janssen [dtc], V. Rouge [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 867
+CH$NAME: Anabaenopeptin B
+CH$NAME: (2R)-2-[[(3S,6S,9S,12S,15R)-3-benzyl-9-[2-(4-hydroxyphenyl)ethyl]-6,7-dimethyl-2,5,8,11,14-pentaoxo-12-propan-2-yl-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]-5-(diaminomethylideneamino)pentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C41H60N10O9
+CH$EXACT_MASS: 836.4544735
+CH$SMILES: C[C@H]1C(N[C@@H](CC2=CC=CC=C2)C(NCCCC[C@@H](NC(N[C@@H](C(O)=O)CCC/N=C(N)\N)=O)C(N[C@@H](C(C)C)C(N[C@@H](CCC3=CC=C(O)C=C3)C(N1C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C41H60N10O9/c1-24(2)33-37(56)46-30(20-17-26-15-18-28(52)19-16-26)38(57)51(4)25(3)34(53)47-32(23-27-11-6-5-7-12-27)35(54)44-21-9-8-13-29(36(55)50-33)48-41(60)49-31(39(58)59)14-10-22-45-40(42)43/h5-7,11-12,15-16,18-19,24-25,29-33,52H,8-10,13-14,17,20-23H2,1-4H3,(H,44,54)(H,46,56)(H,47,53)(H,50,55)(H,58,59)(H4,42,43,45)(H2,48,49,60)/t25-,29+,30-,31+,32-,33-/m0/s1
+CH$LINK: PUBCHEM CID:155802447
+CH$LINK: INCHIKEY ZDOVFDLIJJGVQM-RRKFYBCGSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 87-877
+AC$CHROMATOGRAPHY: COLUMN_NAME Acwuity UPLC HSS T3 1.8um, 3x100mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 85/15 at 0 min, 0/100 at 21 min, 0/100 at 25 min, 2/98 at 25.1 min, 2/98 at 31 min, 85/15 at 31.1 min, 85/15 at 33 min
+AC$CHROMATOGRAPHY: FLOW_RATE 300 uL/min at 0 min, 650 uL/min at 25.1 min, 300 uL/min at 31.1 min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.087 min
+MS$FOCUSED_ION: BASE_PEAK 419.2339
+MS$FOCUSED_ION: PRECURSOR_M/Z 419.2345
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+2H]2+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0udi-0890000000-a2db2cc55e61be44897f
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  107.0485 C7H7O+ 1 107.0486 -0.87
+  112.0862 C5H10N3+ 1 112.0864 -1.91
+  114.0542 C5H8NO2+ 1 114.0544 -1.75
+  116.0697 C5H10NO2+ 1 116.0701 -2.8
+  120.08 C8H10N+ 1 120.0802 -1.55
+  130.0967 C5H12N3O+ 1 130.0969 -1.88
+  133.0643 C9H9O+ 1 133.0642 0.64
+  150.0906 C9H12NO+ 1 150.0908 -1.48
+  157.1076 C6H13N4O+ 1 157.1078 -1.61
+  175.118 C6H15N4O2+ 1 175.1184 -2.05
+  183.0866 C7H11N4O2+ 3 183.0871 -2.9
+  201.0971 C7H13N4O3+ 3 201.0977 -2.87
+  202.1006 CH18N2O9+ 3 202.1001 2.43
+  226.1539 C11H20N3O2+ 2 226.1545 -2.31
+  257.1615 C11H21N4O3+ 2 257.1603 4.61
+  347.2438 C19H31N4O2+ 6 347.2436 0.47
+  476.262 C24H36N4O6+ 6 476.2624 -0.89
+  547.3351 C26H43N8O5+ 5 547.3345 1.06
+  575.3313 C29H45N5O7+ 6 575.3308 0.89
+PK$NUM_PEAK: 19
+PK$PEAK: m/z int. rel.int.
+  107.0485 1193735.6 306
+  112.0862 77385 19
+  114.0542 241951 62
+  116.0697 68756.5 17
+  120.08 466155.7 119
+  130.0967 41830.4 10
+  133.0643 41483.4 10
+  150.0906 320271.8 82
+  157.1076 47721 12
+  175.118 1171022.8 300
+  183.0866 40886.2 10
+  201.0971 3887946 999
+  202.1006 131518.2 33
+  226.1539 46955 12
+  257.1615 49598.7 12
+  347.2438 81753.1 21
+  476.262 251308 64
+  547.3351 163673 42
+  575.3313 80462 20
+//
diff --git a/Eawag/MSBNK-EAWAG-ED086796.txt b/Eawag/MSBNK-EAWAG-ED086796.txt
new file mode 100644
index 0000000000..19f5303231
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED086796.txt
@@ -0,0 +1,77 @@
+ACCESSION: MSBNK-EAWAG-ED086796
+RECORD_TITLE: Anabaenopeptin B; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+2H]2+; First mass: auto
+DATE: 2024.04.29
+AUTHORS: E. Janssen [dtc], V. Rouge [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 867
+CH$NAME: Anabaenopeptin B
+CH$NAME: (2R)-2-[[(3S,6S,9S,12S,15R)-3-benzyl-9-[2-(4-hydroxyphenyl)ethyl]-6,7-dimethyl-2,5,8,11,14-pentaoxo-12-propan-2-yl-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]-5-(diaminomethylideneamino)pentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C41H60N10O9
+CH$EXACT_MASS: 836.4544735
+CH$SMILES: C[C@H]1C(N[C@@H](CC2=CC=CC=C2)C(NCCCC[C@@H](NC(N[C@@H](C(O)=O)CCC/N=C(N)\N)=O)C(N[C@@H](C(C)C)C(N[C@@H](CCC3=CC=C(O)C=C3)C(N1C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C41H60N10O9/c1-24(2)33-37(56)46-30(20-17-26-15-18-28(52)19-16-26)38(57)51(4)25(3)34(53)47-32(23-27-11-6-5-7-12-27)35(54)44-21-9-8-13-29(36(55)50-33)48-41(60)49-31(39(58)59)14-10-22-45-40(42)43/h5-7,11-12,15-16,18-19,24-25,29-33,52H,8-10,13-14,17,20-23H2,1-4H3,(H,44,54)(H,46,56)(H,47,53)(H,50,55)(H,58,59)(H4,42,43,45)(H2,48,49,60)/t25-,29+,30-,31+,32-,33-/m0/s1
+CH$LINK: PUBCHEM CID:155802447
+CH$LINK: INCHIKEY ZDOVFDLIJJGVQM-RRKFYBCGSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 87-877
+AC$CHROMATOGRAPHY: COLUMN_NAME Acwuity UPLC HSS T3 1.8um, 3x100mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 85/15 at 0 min, 0/100 at 21 min, 0/100 at 25 min, 2/98 at 25.1 min, 2/98 at 31 min, 85/15 at 31.1 min, 85/15 at 33 min
+AC$CHROMATOGRAPHY: FLOW_RATE 300 uL/min at 0 min, 650 uL/min at 25.1 min, 300 uL/min at 31.1 min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.087 min
+MS$FOCUSED_ION: BASE_PEAK 419.2339
+MS$FOCUSED_ION: PRECURSOR_M/Z 419.2345
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+2H]2+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0udi-0980000000-a25d91257fe95ebc8042
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  107.0485 C7H7O+ 1 107.0486 -0.72
+  112.0861 C5H10N3+ 1 112.0864 -2.11
+  114.0543 C5H8NO2+ 1 114.0544 -0.68
+  115.086 C5H11N2O+ 1 115.086 -0.08
+  116.0699 C5H10NO2+ 1 116.0701 -1.42
+  120.0801 C8H10N+ 1 120.0802 -1.11
+  130.0966 C5H12N3O+ 1 130.0969 -2.7
+  133.0639 C9H9O+ 1 133.0642 -2.34
+  146.0957 C10H12N+ 1 146.0959 -1.47
+  150.0906 C9H12NO+ 1 150.0908 -1.27
+  158.0917 C6H12N3O2+ 1 158.0919 -1.14
+  159.0759 C6H11N2O3+ 1 159.0759 0.18
+  174.127 C12H16N+ 1 174.1272 -1.04
+  175.118 C6H15N4O2+ 1 175.1184 -2.05
+  201.0971 C7H13N4O3+ 3 201.0977 -2.72
+  226.1538 C11H20N3O2+ 2 226.1545 -2.71
+  231.148 C14H19N2O+ 3 231.1486 -2.73
+  476.2631 C24H36N4O6+ 5 476.2624 1.54
+PK$NUM_PEAK: 18
+PK$PEAK: m/z int. rel.int.
+  107.0485 1778270.4 369
+  112.0861 209755.6 43
+  114.0543 259961.3 54
+  115.086 82133.8 17
+  116.0699 171620.3 35
+  120.0801 1079911.2 224
+  130.0966 172771 35
+  133.0639 70611.2 14
+  146.0957 57142.8 11
+  150.0906 166866.7 34
+  158.0917 133205.1 27
+  159.0759 83468 17
+  174.127 135073.3 28
+  175.118 1045068.9 217
+  201.0971 4805328 999
+  226.1538 79926.3 16
+  231.148 122959.7 25
+  476.2631 128111.8 26
+//
diff --git a/Eawag/MSBNK-EAWAG-ED086797.txt b/Eawag/MSBNK-EAWAG-ED086797.txt
new file mode 100644
index 0000000000..551bd6dfef
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED086797.txt
@@ -0,0 +1,83 @@
+ACCESSION: MSBNK-EAWAG-ED086797
+RECORD_TITLE: Anabaenopeptin B; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+2H]2+; First mass: auto
+DATE: 2024.04.29
+AUTHORS: E. Janssen [dtc], V. Rouge [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 867
+CH$NAME: Anabaenopeptin B
+CH$NAME: (2R)-2-[[(3S,6S,9S,12S,15R)-3-benzyl-9-[2-(4-hydroxyphenyl)ethyl]-6,7-dimethyl-2,5,8,11,14-pentaoxo-12-propan-2-yl-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]-5-(diaminomethylideneamino)pentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C41H60N10O9
+CH$EXACT_MASS: 836.4544735
+CH$SMILES: C[C@H]1C(N[C@@H](CC2=CC=CC=C2)C(NCCCC[C@@H](NC(N[C@@H](C(O)=O)CCC/N=C(N)\N)=O)C(N[C@@H](C(C)C)C(N[C@@H](CCC3=CC=C(O)C=C3)C(N1C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C41H60N10O9/c1-24(2)33-37(56)46-30(20-17-26-15-18-28(52)19-16-26)38(57)51(4)25(3)34(53)47-32(23-27-11-6-5-7-12-27)35(54)44-21-9-8-13-29(36(55)50-33)48-41(60)49-31(39(58)59)14-10-22-45-40(42)43/h5-7,11-12,15-16,18-19,24-25,29-33,52H,8-10,13-14,17,20-23H2,1-4H3,(H,44,54)(H,46,56)(H,47,53)(H,50,55)(H,58,59)(H4,42,43,45)(H2,48,49,60)/t25-,29+,30-,31+,32-,33-/m0/s1
+CH$LINK: PUBCHEM CID:155802447
+CH$LINK: INCHIKEY ZDOVFDLIJJGVQM-RRKFYBCGSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 87-877
+AC$CHROMATOGRAPHY: COLUMN_NAME Acwuity UPLC HSS T3 1.8um, 3x100mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 85/15 at 0 min, 0/100 at 21 min, 0/100 at 25 min, 2/98 at 25.1 min, 2/98 at 31 min, 85/15 at 31.1 min, 85/15 at 33 min
+AC$CHROMATOGRAPHY: FLOW_RATE 300 uL/min at 0 min, 650 uL/min at 25.1 min, 300 uL/min at 31.1 min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.087 min
+MS$FOCUSED_ION: BASE_PEAK 419.2339
+MS$FOCUSED_ION: PRECURSOR_M/Z 419.2345
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+2H]2+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0zfr-0950000000-21f46e3ff78c165f4378
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  103.0538 C8H7+ 1 103.0537 1.35
+  105.0694 C8H9+ 1 105.0693 1.04
+  107.0486 C7H7O+ 1 107.0486 -0.3
+  108.0519 C2H8N2O3+ 1 108.0524 -4.75
+  112.0864 C5H10N3+ 1 112.0864 -0.21
+  113.0704 C5H9N2O+ 1 113.0704 0.28
+  114.0542 C5H8NO2+ 1 114.0544 -1.42
+  115.0858 C5H11N2O+ 1 115.086 -1.94
+  116.0701 C5H10NO2+ 1 116.0701 0.55
+  120.0802 C8H10N+ 1 120.0802 -0.54
+  121.0837 C3H11N3O2+ 1 121.084 -2.68
+  129.1017 C6H13N2O+ 1 129.1017 -0.27
+  130.0967 C5H12N3O+ 1 130.0969 -1.53
+  133.0642 C9H9O+ 1 133.0642 -0.27
+  142.049 C6H8NO3+ 1 142.0493 -2.21
+  146.096 C10H12N+ 1 146.0959 0.73
+  157.1078 C6H13N4O+ 1 157.1078 0.04
+  159.0757 C6H11N2O3+ 1 159.0759 -1.16
+  174.1271 C12H16N+ 1 174.1272 -0.52
+  175.1181 C6H15N4O2+ 1 175.1184 -1.97
+  201.0972 C7H13N4O3+ 3 201.0977 -2.19
+PK$NUM_PEAK: 21
+PK$PEAK: m/z int. rel.int.
+  103.0538 52814.7 14
+  105.0694 55732.3 14
+  107.0486 1878255.2 504
+  108.0519 71714.5 19
+  112.0864 237822 63
+  113.0704 74151.7 19
+  114.0542 332914.4 89
+  115.0858 155533.5 41
+  116.0701 202878.7 54
+  120.0802 1265019.9 339
+  121.0837 49990.9 13
+  129.1017 81768.2 21
+  130.0967 269417.3 72
+  133.0642 59406.6 15
+  142.049 62238.9 16
+  146.096 87480.8 23
+  157.1078 39695.5 10
+  159.0757 161100.7 43
+  174.1271 113478.8 30
+  175.1181 579021.6 155
+  201.0972 3721120.2 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED086798.txt b/Eawag/MSBNK-EAWAG-ED086798.txt
new file mode 100644
index 0000000000..70fbe897f6
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED086798.txt
@@ -0,0 +1,83 @@
+ACCESSION: MSBNK-EAWAG-ED086798
+RECORD_TITLE: Anabaenopeptin B; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+2H]2+; First mass: auto
+DATE: 2024.04.29
+AUTHORS: E. Janssen [dtc], V. Rouge [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 867
+CH$NAME: Anabaenopeptin B
+CH$NAME: (2R)-2-[[(3S,6S,9S,12S,15R)-3-benzyl-9-[2-(4-hydroxyphenyl)ethyl]-6,7-dimethyl-2,5,8,11,14-pentaoxo-12-propan-2-yl-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]-5-(diaminomethylideneamino)pentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C41H60N10O9
+CH$EXACT_MASS: 836.4544735
+CH$SMILES: C[C@H]1C(N[C@@H](CC2=CC=CC=C2)C(NCCCC[C@@H](NC(N[C@@H](C(O)=O)CCC/N=C(N)\N)=O)C(N[C@@H](C(C)C)C(N[C@@H](CCC3=CC=C(O)C=C3)C(N1C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C41H60N10O9/c1-24(2)33-37(56)46-30(20-17-26-15-18-28(52)19-16-26)38(57)51(4)25(3)34(53)47-32(23-27-11-6-5-7-12-27)35(54)44-21-9-8-13-29(36(55)50-33)48-41(60)49-31(39(58)59)14-10-22-45-40(42)43/h5-7,11-12,15-16,18-19,24-25,29-33,52H,8-10,13-14,17,20-23H2,1-4H3,(H,44,54)(H,46,56)(H,47,53)(H,50,55)(H,58,59)(H4,42,43,45)(H2,48,49,60)/t25-,29+,30-,31+,32-,33-/m0/s1
+CH$LINK: PUBCHEM CID:155802447
+CH$LINK: INCHIKEY ZDOVFDLIJJGVQM-RRKFYBCGSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 87-877
+AC$CHROMATOGRAPHY: COLUMN_NAME Acwuity UPLC HSS T3 1.8um, 3x100mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 85/15 at 0 min, 0/100 at 21 min, 0/100 at 25 min, 2/98 at 25.1 min, 2/98 at 31 min, 85/15 at 31.1 min, 85/15 at 33 min
+AC$CHROMATOGRAPHY: FLOW_RATE 300 uL/min at 0 min, 650 uL/min at 25.1 min, 300 uL/min at 31.1 min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.087 min
+MS$FOCUSED_ION: BASE_PEAK 419.2339
+MS$FOCUSED_ION: PRECURSOR_M/Z 419.2345
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+2H]2+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0zmi-0930000000-414f97f4cc794cc51401
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  103.0536 C8H7+ 1 103.0537 -1.17
+  105.0695 C8H9+ 1 105.0693 1.41
+  107.0486 C7H7O+ 1 107.0486 -0.3
+  108.0522 C2H8N2O3+ 1 108.0524 -1.51
+  112.0861 C5H10N3+ 1 112.0864 -2.39
+  113.0705 C5H9N2O+ 1 113.0704 0.75
+  114.0544 C5H8NO2+ 1 114.0544 -0.01
+  115.0859 C5H11N2O+ 1 115.086 -1.47
+  116.07 C5H10NO2+ 1 116.0701 -0.17
+  120.0801 C8H10N+ 1 120.0802 -0.98
+  121.0839 C3H11N3O2+ 1 121.084 -1.23
+  130.0968 C5H12N3O+ 1 130.0969 -0.82
+  133.0643 C9H9O+ 1 133.0642 0.18
+  142.0495 C6H8NO3+ 1 142.0493 1.01
+  150.0912 C9H12NO+ 1 150.0908 2.49
+  158.092 C6H12N3O2+ 1 158.0919 1.17
+  159.0757 C6H11N2O3+ 1 159.0759 -1.06
+  174.1273 C12H16N+ 1 174.1272 0.53
+  175.1181 C6H15N4O2+ 1 175.1184 -1.62
+  201.0972 C7H13N4O3+ 3 201.0977 -2.26
+  226.1543 C11H20N3O2+ 1 226.1545 -0.55
+PK$NUM_PEAK: 21
+PK$PEAK: m/z int. rel.int.
+  103.0536 154931.9 88
+  105.0695 49830.5 28
+  107.0486 1482451.1 844
+  108.0522 61604.7 35
+  112.0861 252922.8 144
+  113.0705 141305.4 80
+  114.0544 410600.2 233
+  115.0859 129210.2 73
+  116.07 179774.2 102
+  120.0801 1038018.4 591
+  121.0839 29110.9 16
+  130.0968 332151.8 189
+  133.0643 53717.7 30
+  142.0495 63795.8 36
+  150.0912 18950.5 10
+  158.092 73881.9 42
+  159.0757 119322.3 67
+  174.1273 69266.4 39
+  175.1181 242830.1 138
+  201.0972 1753959.9 999
+  226.1543 28861.8 16
+//
diff --git a/Eawag/MSBNK-EAWAG-ED089701.txt b/Eawag/MSBNK-EAWAG-ED089701.txt
new file mode 100644
index 0000000000..8073d2f6ef
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED089701.txt
@@ -0,0 +1,49 @@
+ACCESSION: MSBNK-EAWAG-ED089701
+RECORD_TITLE: Microginin SD755; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.aquatox.2023.106689
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 897
+CH$NAME: Microginin SD755
+CH$NAME: N-(N-((2-hydroxy-3-(methylamino)octanoyl)-L-valyl)-N-methyl-L-isoleucyl)-N-methyl-L-tyrosyl-L-tyrosine
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C40H61N5O9
+CH$EXACT_MASS: 755.4469285
+CH$SMILES: CCCCCC(C(C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H]([C@@H](C)CC)C(=O)N(C)[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)O)O)NC
+CH$IUPAC: InChI=1S/C40H61N5O9/c1-9-11-12-13-30(41-6)35(48)37(50)43-33(24(3)4)38(51)45(8)34(25(5)10-2)39(52)44(7)32(23-27-16-20-29(47)21-17-27)36(49)42-31(40(53)54)22-26-14-18-28(46)19-15-26/h14-21,24-25,30-35,41,46-48H,9-13,22-23H2,1-8H3,(H,42,49)(H,43,50)(H,53,54)/t25-,30?,31-,32-,33-,34-,35?/m0/s1
+CH$LINK: PUBCHEM CID:10509305
+CH$LINK: INCHIKEY LGIDGQNWZFGZCH-WVNIJTHNSA-N
+CH$LINK: CHEMSPIDER 8684706
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 79-793
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.764 min
+MS$FOCUSED_ION: BASE_PEAK 742.4367
+MS$FOCUSED_ION: PRECURSOR_M/Z 756.4542
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-06vi-0000490700-a22b52e84a468f4f3d3c
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  462.2951 C25H40N3O5+ 2 462.2962 -2.55
+  575.3788 C31H51N4O6+ 3 575.3803 -2.58
+  756.4523 C40H62N5O9+ 1 756.4542 -2.54
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  462.2951 1205077.8 507
+  575.3788 2373196.8 999
+  756.4523 1959573.5 824
+//
diff --git a/Eawag/MSBNK-EAWAG-ED089702.txt b/Eawag/MSBNK-EAWAG-ED089702.txt
new file mode 100644
index 0000000000..426d71bc29
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED089702.txt
@@ -0,0 +1,51 @@
+ACCESSION: MSBNK-EAWAG-ED089702
+RECORD_TITLE: Microginin SD755; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.aquatox.2023.106689
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 897
+CH$NAME: Microginin SD755
+CH$NAME: N-(N-((2-hydroxy-3-(methylamino)octanoyl)-L-valyl)-N-methyl-L-isoleucyl)-N-methyl-L-tyrosyl-L-tyrosine
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C40H61N5O9
+CH$EXACT_MASS: 755.4469285
+CH$SMILES: CCCCCC(C(C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H]([C@@H](C)CC)C(=O)N(C)[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)O)O)NC
+CH$IUPAC: InChI=1S/C40H61N5O9/c1-9-11-12-13-30(41-6)35(48)37(50)43-33(24(3)4)38(51)45(8)34(25(5)10-2)39(52)44(7)32(23-27-16-20-29(47)21-17-27)36(49)42-31(40(53)54)22-26-14-18-28(46)19-15-26/h14-21,24-25,30-35,41,46-48H,9-13,22-23H2,1-8H3,(H,42,49)(H,43,50)(H,53,54)/t25-,30?,31-,32-,33-,34-,35?/m0/s1
+CH$LINK: PUBCHEM CID:10509305
+CH$LINK: INCHIKEY LGIDGQNWZFGZCH-WVNIJTHNSA-N
+CH$LINK: CHEMSPIDER 8684706
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 79-793
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.764 min
+MS$FOCUSED_ION: BASE_PEAK 742.4367
+MS$FOCUSED_ION: PRECURSOR_M/Z 756.4542
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-01t9-0000790000-c51b8e9a891d403e2c8c
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  86.0963 C5H12N+ 1 86.0964 -1.86
+  100.1119 C6H14N+ 1 100.1121 -2.19
+  462.2953 C25H40N3O5+ 2 462.2962 -2.15
+  575.3791 C31H51N4O6+ 3 575.3803 -2.15
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  86.0963 189238 101
+  100.1119 157165.2 84
+  462.2953 1517066.5 811
+  575.3791 1866971.2 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED089703.txt b/Eawag/MSBNK-EAWAG-ED089703.txt
new file mode 100644
index 0000000000..c66f500abb
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED089703.txt
@@ -0,0 +1,53 @@
+ACCESSION: MSBNK-EAWAG-ED089703
+RECORD_TITLE: Microginin SD755; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.aquatox.2023.106689
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 897
+CH$NAME: Microginin SD755
+CH$NAME: N-(N-((2-hydroxy-3-(methylamino)octanoyl)-L-valyl)-N-methyl-L-isoleucyl)-N-methyl-L-tyrosyl-L-tyrosine
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C40H61N5O9
+CH$EXACT_MASS: 755.4469285
+CH$SMILES: CCCCCC(C(C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H]([C@@H](C)CC)C(=O)N(C)[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)O)O)NC
+CH$IUPAC: InChI=1S/C40H61N5O9/c1-9-11-12-13-30(41-6)35(48)37(50)43-33(24(3)4)38(51)45(8)34(25(5)10-2)39(52)44(7)32(23-27-16-20-29(47)21-17-27)36(49)42-31(40(53)54)22-26-14-18-28(46)19-15-26/h14-21,24-25,30-35,41,46-48H,9-13,22-23H2,1-8H3,(H,42,49)(H,43,50)(H,53,54)/t25-,30?,31-,32-,33-,34-,35?/m0/s1
+CH$LINK: PUBCHEM CID:10509305
+CH$LINK: INCHIKEY LGIDGQNWZFGZCH-WVNIJTHNSA-N
+CH$LINK: CHEMSPIDER 8684706
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 79-793
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.764 min
+MS$FOCUSED_ION: BASE_PEAK 742.4367
+MS$FOCUSED_ION: PRECURSOR_M/Z 756.4542
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0imi-3800960000-a41fa34ac0defb69ba69
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  86.0963 C5H12N+ 1 86.0964 -1.42
+  100.1119 C6H14N+ 1 100.1121 -2.12
+  114.1275 C7H16N+ 1 114.1277 -2.23
+  462.2953 C25H40N3O5+ 3 462.2962 -1.95
+  575.3793 C31H51N4O6+ 3 575.3803 -1.83
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  86.0963 318397.8 417
+  100.1119 513220.5 673
+  114.1275 224095.5 294
+  462.2953 761341.3 999
+  575.3793 558359.3 732
+//
diff --git a/Eawag/MSBNK-EAWAG-ED089704.txt b/Eawag/MSBNK-EAWAG-ED089704.txt
new file mode 100644
index 0000000000..4e02e3167b
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED089704.txt
@@ -0,0 +1,53 @@
+ACCESSION: MSBNK-EAWAG-ED089704
+RECORD_TITLE: Microginin SD755; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.aquatox.2023.106689
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 897
+CH$NAME: Microginin SD755
+CH$NAME: N-(N-((2-hydroxy-3-(methylamino)octanoyl)-L-valyl)-N-methyl-L-isoleucyl)-N-methyl-L-tyrosyl-L-tyrosine
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C40H61N5O9
+CH$EXACT_MASS: 755.4469285
+CH$SMILES: CCCCCC(C(C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H]([C@@H](C)CC)C(=O)N(C)[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)O)O)NC
+CH$IUPAC: InChI=1S/C40H61N5O9/c1-9-11-12-13-30(41-6)35(48)37(50)43-33(24(3)4)38(51)45(8)34(25(5)10-2)39(52)44(7)32(23-27-16-20-29(47)21-17-27)36(49)42-31(40(53)54)22-26-14-18-28(46)19-15-26/h14-21,24-25,30-35,41,46-48H,9-13,22-23H2,1-8H3,(H,42,49)(H,43,50)(H,53,54)/t25-,30?,31-,32-,33-,34-,35?/m0/s1
+CH$LINK: PUBCHEM CID:10509305
+CH$LINK: INCHIKEY LGIDGQNWZFGZCH-WVNIJTHNSA-N
+CH$LINK: CHEMSPIDER 8684706
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 79-793
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.764 min
+MS$FOCUSED_ION: BASE_PEAK 742.4367
+MS$FOCUSED_ION: PRECURSOR_M/Z 756.4542
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0w29-1900200000-05e71291a37e38936028
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  86.0963 C5H12N+ 1 86.0964 -1.33
+  100.1119 C6H14N+ 1 100.1121 -1.58
+  114.1275 C7H16N+ 1 114.1277 -2.16
+  448.2798 C24H38N3O5+ 3 448.2806 -1.83
+  462.2953 C25H40N3O5+ 3 462.2962 -1.95
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  86.0963 291193.5 295
+  100.1119 982997.6 999
+  114.1275 499546.2 507
+  448.2798 170311.4 173
+  462.2953 183778.9 186
+//
diff --git a/Eawag/MSBNK-EAWAG-ED089705.txt b/Eawag/MSBNK-EAWAG-ED089705.txt
new file mode 100644
index 0000000000..39fc936eb0
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED089705.txt
@@ -0,0 +1,51 @@
+ACCESSION: MSBNK-EAWAG-ED089705
+RECORD_TITLE: Microginin SD755; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.aquatox.2023.106689
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 897
+CH$NAME: Microginin SD755
+CH$NAME: N-(N-((2-hydroxy-3-(methylamino)octanoyl)-L-valyl)-N-methyl-L-isoleucyl)-N-methyl-L-tyrosyl-L-tyrosine
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C40H61N5O9
+CH$EXACT_MASS: 755.4469285
+CH$SMILES: CCCCCC(C(C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H]([C@@H](C)CC)C(=O)N(C)[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)O)O)NC
+CH$IUPAC: InChI=1S/C40H61N5O9/c1-9-11-12-13-30(41-6)35(48)37(50)43-33(24(3)4)38(51)45(8)34(25(5)10-2)39(52)44(7)32(23-27-16-20-29(47)21-17-27)36(49)42-31(40(53)54)22-26-14-18-28(46)19-15-26/h14-21,24-25,30-35,41,46-48H,9-13,22-23H2,1-8H3,(H,42,49)(H,43,50)(H,53,54)/t25-,30?,31-,32-,33-,34-,35?/m0/s1
+CH$LINK: PUBCHEM CID:10509305
+CH$LINK: INCHIKEY LGIDGQNWZFGZCH-WVNIJTHNSA-N
+CH$LINK: CHEMSPIDER 8684706
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 79-793
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.764 min
+MS$FOCUSED_ION: BASE_PEAK 742.4367
+MS$FOCUSED_ION: PRECURSOR_M/Z 756.4542
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0w29-0900000000-b25e255100f58d2c7063
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  100.1119 C6H14N+ 1 100.1121 -1.51
+  114.1275 C7H16N+ 1 114.1277 -1.96
+  131.1178 C6H15N2O+ 1 131.1179 -0.66
+  136.0753 C8H10NO+ 1 136.0757 -2.98
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  100.1119 1404921.8 999
+  114.1275 819774.9 582
+  131.1178 26449.8 18
+  136.0753 253126.5 179
+//
diff --git a/Eawag/MSBNK-EAWAG-ED089706.txt b/Eawag/MSBNK-EAWAG-ED089706.txt
new file mode 100644
index 0000000000..7e0689667b
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED089706.txt
@@ -0,0 +1,53 @@
+ACCESSION: MSBNK-EAWAG-ED089706
+RECORD_TITLE: Microginin SD755; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.aquatox.2023.106689
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 897
+CH$NAME: Microginin SD755
+CH$NAME: N-(N-((2-hydroxy-3-(methylamino)octanoyl)-L-valyl)-N-methyl-L-isoleucyl)-N-methyl-L-tyrosyl-L-tyrosine
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C40H61N5O9
+CH$EXACT_MASS: 755.4469285
+CH$SMILES: CCCCCC(C(C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H]([C@@H](C)CC)C(=O)N(C)[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)O)O)NC
+CH$IUPAC: InChI=1S/C40H61N5O9/c1-9-11-12-13-30(41-6)35(48)37(50)43-33(24(3)4)38(51)45(8)34(25(5)10-2)39(52)44(7)32(23-27-16-20-29(47)21-17-27)36(49)42-31(40(53)54)22-26-14-18-28(46)19-15-26/h14-21,24-25,30-35,41,46-48H,9-13,22-23H2,1-8H3,(H,42,49)(H,43,50)(H,53,54)/t25-,30?,31-,32-,33-,34-,35?/m0/s1
+CH$LINK: PUBCHEM CID:10509305
+CH$LINK: INCHIKEY LGIDGQNWZFGZCH-WVNIJTHNSA-N
+CH$LINK: CHEMSPIDER 8684706
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 79-793
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.764 min
+MS$FOCUSED_ION: BASE_PEAK 742.4367
+MS$FOCUSED_ION: PRECURSOR_M/Z 756.4542
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0w29-0900000000-3a97ea3dfb530b3283be
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  86.0963 C5H12N+ 1 86.0964 -1.51
+  100.1119 C6H14N+ 1 100.1121 -1.58
+  107.0486 C7H7O+ 1 107.0491 -4.92
+  114.1275 C7H16N+ 1 114.1277 -2.1
+  136.0753 C8H10NO+ 1 136.0757 -2.98
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  86.0963 208011.8 154
+  100.1119 1341342.1 999
+  107.0486 35793.4 26
+  114.1275 779316.2 580
+  136.0753 242514.4 180
+//
diff --git a/Eawag/MSBNK-EAWAG-ED089707.txt b/Eawag/MSBNK-EAWAG-ED089707.txt
new file mode 100644
index 0000000000..fe1eb12f07
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED089707.txt
@@ -0,0 +1,55 @@
+ACCESSION: MSBNK-EAWAG-ED089707
+RECORD_TITLE: Microginin SD755; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.aquatox.2023.106689
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 897
+CH$NAME: Microginin SD755
+CH$NAME: N-(N-((2-hydroxy-3-(methylamino)octanoyl)-L-valyl)-N-methyl-L-isoleucyl)-N-methyl-L-tyrosyl-L-tyrosine
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C40H61N5O9
+CH$EXACT_MASS: 755.4469285
+CH$SMILES: CCCCCC(C(C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H]([C@@H](C)CC)C(=O)N(C)[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)O)O)NC
+CH$IUPAC: InChI=1S/C40H61N5O9/c1-9-11-12-13-30(41-6)35(48)37(50)43-33(24(3)4)38(51)45(8)34(25(5)10-2)39(52)44(7)32(23-27-16-20-29(47)21-17-27)36(49)42-31(40(53)54)22-26-14-18-28(46)19-15-26/h14-21,24-25,30-35,41,46-48H,9-13,22-23H2,1-8H3,(H,42,49)(H,43,50)(H,53,54)/t25-,30?,31-,32-,33-,34-,35?/m0/s1
+CH$LINK: PUBCHEM CID:10509305
+CH$LINK: INCHIKEY LGIDGQNWZFGZCH-WVNIJTHNSA-N
+CH$LINK: CHEMSPIDER 8684706
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 79-793
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.764 min
+MS$FOCUSED_ION: BASE_PEAK 742.4367
+MS$FOCUSED_ION: PRECURSOR_M/Z 756.4542
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0w29-0900000000-09f6baa96fdbe5bd7f0f
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  91.054 C7H7+ 1 91.0542 -2.82
+  100.1119 C6H14N+ 1 100.1121 -2.04
+  107.0486 C7H7O+ 1 107.0491 -4.92
+  114.0912 C6H12NO+ 1 114.0913 -1.28
+  114.1274 C7H16N+ 1 114.1277 -2.7
+  136.0752 C8H10NO+ 1 136.0757 -3.66
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  91.054 20850.9 17
+  100.1119 1189933.2 999
+  107.0486 40844.1 34
+  114.0912 63321.9 53
+  114.1274 694245.9 582
+  136.0752 302053.9 253
+//
diff --git a/Eawag/MSBNK-EAWAG-ED089708.txt b/Eawag/MSBNK-EAWAG-ED089708.txt
new file mode 100644
index 0000000000..4804fa826b
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED089708.txt
@@ -0,0 +1,57 @@
+ACCESSION: MSBNK-EAWAG-ED089708
+RECORD_TITLE: Microginin SD755; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.aquatox.2023.106689
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 897
+CH$NAME: Microginin SD755
+CH$NAME: N-(N-((2-hydroxy-3-(methylamino)octanoyl)-L-valyl)-N-methyl-L-isoleucyl)-N-methyl-L-tyrosyl-L-tyrosine
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C40H61N5O9
+CH$EXACT_MASS: 755.4469285
+CH$SMILES: CCCCCC(C(C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H]([C@@H](C)CC)C(=O)N(C)[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)O)O)NC
+CH$IUPAC: InChI=1S/C40H61N5O9/c1-9-11-12-13-30(41-6)35(48)37(50)43-33(24(3)4)38(51)45(8)34(25(5)10-2)39(52)44(7)32(23-27-16-20-29(47)21-17-27)36(49)42-31(40(53)54)22-26-14-18-28(46)19-15-26/h14-21,24-25,30-35,41,46-48H,9-13,22-23H2,1-8H3,(H,42,49)(H,43,50)(H,53,54)/t25-,30?,31-,32-,33-,34-,35?/m0/s1
+CH$LINK: PUBCHEM CID:10509305
+CH$LINK: INCHIKEY LGIDGQNWZFGZCH-WVNIJTHNSA-N
+CH$LINK: CHEMSPIDER 8684706
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 79-793
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.764 min
+MS$FOCUSED_ION: BASE_PEAK 742.4367
+MS$FOCUSED_ION: PRECURSOR_M/Z 756.4542
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0udi-0900000000-421ff996c06fff9072e1
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  91.0541 C7H7+ 1 91.0542 -1.81
+  100.1119 C6H14N+ 1 100.1121 -1.73
+  114.1275 C7H16N+ 1 114.1277 -2.3
+  119.0487 C8H7O+ 1 119.0491 -3.34
+  128.1069 C7H14NO+ 1 128.107 -0.7
+  136.0753 C8H10NO+ 1 136.0757 -2.76
+  152.0703 C8H10NO2+ 1 152.0706 -1.97
+PK$NUM_PEAK: 7
+PK$PEAK: m/z int. rel.int.
+  91.0541 54742.1 58
+  100.1119 935660.7 999
+  114.1275 442663.2 472
+  119.0487 50944.2 54
+  128.1069 12792.7 13
+  136.0753 272957.4 291
+  152.0703 59323.6 63
+//
diff --git a/Eawag/MSBNK-EAWAG-ED089709.txt b/Eawag/MSBNK-EAWAG-ED089709.txt
new file mode 100644
index 0000000000..0853c182c4
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED089709.txt
@@ -0,0 +1,55 @@
+ACCESSION: MSBNK-EAWAG-ED089709
+RECORD_TITLE: Microginin SD755; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.aquatox.2023.106689
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 897
+CH$NAME: Microginin SD755
+CH$NAME: N-(N-((2-hydroxy-3-(methylamino)octanoyl)-L-valyl)-N-methyl-L-isoleucyl)-N-methyl-L-tyrosyl-L-tyrosine
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C40H61N5O9
+CH$EXACT_MASS: 755.4469285
+CH$SMILES: CCCCCC(C(C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H]([C@@H](C)CC)C(=O)N(C)[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)O)O)NC
+CH$IUPAC: InChI=1S/C40H61N5O9/c1-9-11-12-13-30(41-6)35(48)37(50)43-33(24(3)4)38(51)45(8)34(25(5)10-2)39(52)44(7)32(23-27-16-20-29(47)21-17-27)36(49)42-31(40(53)54)22-26-14-18-28(46)19-15-26/h14-21,24-25,30-35,41,46-48H,9-13,22-23H2,1-8H3,(H,42,49)(H,43,50)(H,53,54)/t25-,30?,31-,32-,33-,34-,35?/m0/s1
+CH$LINK: PUBCHEM CID:10509305
+CH$LINK: INCHIKEY LGIDGQNWZFGZCH-WVNIJTHNSA-N
+CH$LINK: CHEMSPIDER 8684706
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 79-793
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.764 min
+MS$FOCUSED_ION: BASE_PEAK 742.4367
+MS$FOCUSED_ION: PRECURSOR_M/Z 756.4542
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0udi-0900000000-1a1cbd91d20aa2eb5b3a
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  91.054 C7H7+ 1 91.0542 -2.06
+  100.1118 C6H14N+ 1 100.1121 -2.34
+  114.1274 C7H16N+ 1 114.1277 -2.63
+  119.0488 C8H7O+ 1 119.0491 -2.89
+  136.0752 C8H10NO+ 1 136.0757 -3.77
+  152.07 C8H10NO2+ 2 152.0706 -3.87
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  91.054 102956 180
+  100.1118 569743 999
+  114.1274 243914.2 427
+  119.0488 60076.5 105
+  136.0752 182542.6 320
+  152.07 55931.5 98
+//
diff --git a/Eawag/MSBNK-EAWAG-ED089801.txt b/Eawag/MSBNK-EAWAG-ED089801.txt
new file mode 100644
index 0000000000..5c14533cbd
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED089801.txt
@@ -0,0 +1,48 @@
+ACCESSION: MSBNK-EAWAG-ED089801
+RECORD_TITLE: Microginin 756; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1111/j.1574-6941.2012.01439.x
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 898
+CH$NAME: Microginin 756
+CH$NAME: 2-(2-(2-(3-amino-2-hydroxydecanamido)-3-methylbutanamido)-4-methylpentanamido)-4-(4-hydroxyphenyl)butanoyl)tyrosine
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C40H61N5O9
+CH$EXACT_MASS: 755.4469285
+CH$SMILES: O=C(NC(CC1=CC=C(O)C=C1)C(O)=O)C(CCC2=CC=C(O)C=C2)NC(C(CC(C)C)NC(C(C(C)C)NC(C(O)C(N[H])CCCCCCC)=O)=O)=O
+CH$IUPAC: InChI=1S/C40H61N5O9/c1-6-7-8-9-10-11-30(41)35(48)39(52)45-34(25(4)5)38(51)43-32(22-24(2)3)37(50)42-31(21-16-26-12-17-28(46)18-13-26)36(49)44-33(40(53)54)23-27-14-19-29(47)20-15-27/h12-15,17-20,24-25,30-35,46-48H,6-11,16,21-23,41H2,1-5H3,(H,42,50)(H,43,51)(H,44,49)(H,45,52)(H,53,54)
+CH$LINK: PUBCHEM CID:146683731
+CH$LINK: INCHIKEY IFKUPHYTIDOPIM-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 79-793
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.276 min
+MS$FOCUSED_ION: BASE_PEAK 770.4691
+MS$FOCUSED_ION: PRECURSOR_M/Z 756.4542
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0002-0009020000-ebd4cd2bfd998d0ebfd1
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  398.3007 C21H40N3O4+ 2 398.3013 -1.59
+  472.2438 C25H34N3O6+ 3 472.2442 -0.88
+  575.3801 C31H51N4O6+ 3 575.3803 -0.35
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  398.3007 31696342 999
+  472.2438 842576.2 26
+  575.3801 7935069.5 250
+//
diff --git a/Eawag/MSBNK-EAWAG-ED089802.txt b/Eawag/MSBNK-EAWAG-ED089802.txt
new file mode 100644
index 0000000000..ee946e944e
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED089802.txt
@@ -0,0 +1,60 @@
+ACCESSION: MSBNK-EAWAG-ED089802
+RECORD_TITLE: Microginin 756; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1111/j.1574-6941.2012.01439.x
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 898
+CH$NAME: Microginin 756
+CH$NAME: 2-(2-(2-(3-amino-2-hydroxydecanamido)-3-methylbutanamido)-4-methylpentanamido)-4-(4-hydroxyphenyl)butanoyl)tyrosine
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C40H61N5O9
+CH$EXACT_MASS: 755.4469285
+CH$SMILES: O=C(NC(CC1=CC=C(O)C=C1)C(O)=O)C(CCC2=CC=C(O)C=C2)NC(C(CC(C)C)NC(C(C(C)C)NC(C(O)C(N[H])CCCCCCC)=O)=O)=O
+CH$IUPAC: InChI=1S/C40H61N5O9/c1-6-7-8-9-10-11-30(41)35(48)39(52)45-34(25(4)5)38(51)43-32(22-24(2)3)37(50)42-31(21-16-26-12-17-28(46)18-13-26)36(49)44-33(40(53)54)23-27-14-19-29(47)20-15-27/h12-15,17-20,24-25,30-35,46-48H,6-11,16,21-23,41H2,1-5H3,(H,42,50)(H,43,51)(H,44,49)(H,45,52)(H,53,54)
+CH$LINK: PUBCHEM CID:146683731
+CH$LINK: INCHIKEY IFKUPHYTIDOPIM-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 79-793
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.276 min
+MS$FOCUSED_ION: BASE_PEAK 770.4691
+MS$FOCUSED_ION: PRECURSOR_M/Z 756.4542
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0002-0009020000-1bba83adf4b2727b2206
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  86.0964 C5H12N+ 1 86.0964 0.09
+  132.1017 C6H14NO2+ 1 132.1019 -1.41
+  150.0911 C9H12NO+ 1 150.0913 -1.44
+  285.217 C15H29N2O3+ 2 285.2173 -0.83
+  380.2899 C21H38N3O3+ 2 380.2908 -2.33
+  398.3006 C21H40N3O4+ 2 398.3013 -1.74
+  462.2951 C25H40N3O5+ 2 462.2962 -2.41
+  472.2433 C25H34N3O6+ 3 472.2442 -1.85
+  575.3799 C31H51N4O6+ 3 575.3803 -0.77
+PK$NUM_PEAK: 9
+PK$PEAK: m/z int. rel.int.
+  86.0964 2002392.8 60
+  132.1017 956686.4 28
+  150.0911 520903.4 15
+  285.217 438599.1 13
+  380.2899 450972.1 13
+  398.3006 33267468 999
+  462.2951 660143.4 19
+  472.2433 776697.7 23
+  575.3799 7497911.5 225
+//
diff --git a/Eawag/MSBNK-EAWAG-ED089803.txt b/Eawag/MSBNK-EAWAG-ED089803.txt
new file mode 100644
index 0000000000..5c47b4284c
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED089803.txt
@@ -0,0 +1,66 @@
+ACCESSION: MSBNK-EAWAG-ED089803
+RECORD_TITLE: Microginin 756; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1111/j.1574-6941.2012.01439.x
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 898
+CH$NAME: Microginin 756
+CH$NAME: 2-(2-(2-(3-amino-2-hydroxydecanamido)-3-methylbutanamido)-4-methylpentanamido)-4-(4-hydroxyphenyl)butanoyl)tyrosine
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C40H61N5O9
+CH$EXACT_MASS: 755.4469285
+CH$SMILES: O=C(NC(CC1=CC=C(O)C=C1)C(O)=O)C(CCC2=CC=C(O)C=C2)NC(C(CC(C)C)NC(C(C(C)C)NC(C(O)C(N[H])CCCCCCC)=O)=O)=O
+CH$IUPAC: InChI=1S/C40H61N5O9/c1-6-7-8-9-10-11-30(41)35(48)39(52)45-34(25(4)5)38(51)43-32(22-24(2)3)37(50)42-31(21-16-26-12-17-28(46)18-13-26)36(49)44-33(40(53)54)23-27-14-19-29(47)20-15-27/h12-15,17-20,24-25,30-35,46-48H,6-11,16,21-23,41H2,1-5H3,(H,42,50)(H,43,51)(H,44,49)(H,45,52)(H,53,54)
+CH$LINK: PUBCHEM CID:146683731
+CH$LINK: INCHIKEY IFKUPHYTIDOPIM-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 79-793
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.276 min
+MS$FOCUSED_ION: BASE_PEAK 770.4691
+MS$FOCUSED_ION: PRECURSOR_M/Z 756.4542
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0002-3329000000-6e71721dfc0557953023
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  86.0964 C5H12N+ 1 86.0964 0.26
+  128.1433 C8H18N+ 1 128.1434 -0.88
+  132.1018 C6H14NO2+ 1 132.1019 -0.83
+  150.0912 C9H12NO+ 1 150.0913 -1.24
+  158.1535 C9H20NO+ 1 158.1539 -2.77
+  168.1379 C10H18NO+ 1 168.1383 -2.4
+  206.0807 C11H12NO3+ 2 206.0812 -2.08
+  239.2113 C12H25N5+ 2 239.2104 3.55
+  267.2062 C15H27N2O2+ 2 267.2067 -1.8
+  285.2168 C15H29N2O3+ 2 285.2173 -1.69
+  398.3009 C21H40N3O4+ 2 398.3013 -1.13
+  462.2954 C25H40N3O5+ 3 462.2962 -1.82
+PK$NUM_PEAK: 12
+PK$PEAK: m/z int. rel.int.
+  86.0964 6589406 378
+  128.1433 1848207.9 106
+  132.1018 1896767.9 109
+  150.0912 1186367.2 68
+  158.1535 443164.2 25
+  168.1379 858211.4 49
+  206.0807 513447.8 29
+  239.2113 536541 30
+  267.2062 2104651.5 120
+  285.2168 942432.9 54
+  398.3009 17379978 999
+  462.2954 1100172.8 63
+//
diff --git a/Eawag/MSBNK-EAWAG-ED089804.txt b/Eawag/MSBNK-EAWAG-ED089804.txt
new file mode 100644
index 0000000000..83be5c20b1
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED089804.txt
@@ -0,0 +1,74 @@
+ACCESSION: MSBNK-EAWAG-ED089804
+RECORD_TITLE: Microginin 756; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1111/j.1574-6941.2012.01439.x
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 898
+CH$NAME: Microginin 756
+CH$NAME: 2-(2-(2-(3-amino-2-hydroxydecanamido)-3-methylbutanamido)-4-methylpentanamido)-4-(4-hydroxyphenyl)butanoyl)tyrosine
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C40H61N5O9
+CH$EXACT_MASS: 755.4469285
+CH$SMILES: O=C(NC(CC1=CC=C(O)C=C1)C(O)=O)C(CCC2=CC=C(O)C=C2)NC(C(CC(C)C)NC(C(C(C)C)NC(C(O)C(N[H])CCCCCCC)=O)=O)=O
+CH$IUPAC: InChI=1S/C40H61N5O9/c1-6-7-8-9-10-11-30(41)35(48)39(52)45-34(25(4)5)38(51)43-32(22-24(2)3)37(50)42-31(21-16-26-12-17-28(46)18-13-26)36(49)44-33(40(53)54)23-27-14-19-29(47)20-15-27/h12-15,17-20,24-25,30-35,46-48H,6-11,16,21-23,41H2,1-5H3,(H,42,50)(H,43,51)(H,44,49)(H,45,52)(H,53,54)
+CH$LINK: PUBCHEM CID:146683731
+CH$LINK: INCHIKEY IFKUPHYTIDOPIM-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 79-793
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.276 min
+MS$FOCUSED_ION: BASE_PEAK 770.4691
+MS$FOCUSED_ION: PRECURSOR_M/Z 756.4542
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-000i-9835000000-869288547265ad9e4e46
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  86.0965 C5H12N+ 1 86.0964 0.71
+  128.1433 C8H18N+ 1 128.1434 -0.53
+  132.1018 C6H14NO2+ 1 132.1019 -0.83
+  140.1433 C9H18N+ 1 140.1434 -0.63
+  150.0912 C9H12NO+ 1 150.0913 -0.63
+  158.1537 C9H20NO+ 1 158.1539 -1.32
+  168.138 C10H18NO+ 1 168.1383 -1.86
+  196.1329 C11H18NO2+ 1 196.1332 -1.46
+  206.0809 C11H12NO3+ 1 206.0812 -1.49
+  239.2112 C12H25N5+ 2 239.2104 3.04
+  267.2062 C15H27N2O2+ 2 267.2067 -1.91
+  285.2169 C15H29N2O3+ 2 285.2173 -1.26
+  335.2328 C19H31N2O3+ 2 335.2329 -0.38
+  359.16 C17H21N5O4+ 2 359.1588 3.39
+  398.3011 C21H40N3O4+ 2 398.3013 -0.59
+  462.2971 C25H40N3O5+ 3 462.2962 1.94
+PK$NUM_PEAK: 16
+PK$PEAK: m/z int. rel.int.
+  86.0965 11858229 999
+  128.1433 4738189.5 399
+  132.1018 2050483.5 172
+  140.1433 248834.2 20
+  150.0912 1301387.8 109
+  158.1537 739368.3 62
+  168.138 1417765 119
+  196.1329 462198.3 38
+  206.0809 604809.6 50
+  239.2112 749799.5 63
+  267.2062 2038016.2 171
+  285.2169 735259.2 61
+  335.2328 619946.1 52
+  359.16 629798.7 53
+  398.3011 5652871.5 476
+  462.2971 692044.1 58
+//
diff --git a/Eawag/MSBNK-EAWAG-ED089805.txt b/Eawag/MSBNK-EAWAG-ED089805.txt
new file mode 100644
index 0000000000..e1f7f6882e
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED089805.txt
@@ -0,0 +1,74 @@
+ACCESSION: MSBNK-EAWAG-ED089805
+RECORD_TITLE: Microginin 756; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1111/j.1574-6941.2012.01439.x
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 898
+CH$NAME: Microginin 756
+CH$NAME: 2-(2-(2-(3-amino-2-hydroxydecanamido)-3-methylbutanamido)-4-methylpentanamido)-4-(4-hydroxyphenyl)butanoyl)tyrosine
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C40H61N5O9
+CH$EXACT_MASS: 755.4469285
+CH$SMILES: O=C(NC(CC1=CC=C(O)C=C1)C(O)=O)C(CCC2=CC=C(O)C=C2)NC(C(CC(C)C)NC(C(C(C)C)NC(C(O)C(N[H])CCCCCCC)=O)=O)=O
+CH$IUPAC: InChI=1S/C40H61N5O9/c1-6-7-8-9-10-11-30(41)35(48)39(52)45-34(25(4)5)38(51)43-32(22-24(2)3)37(50)42-31(21-16-26-12-17-28(46)18-13-26)36(49)44-33(40(53)54)23-27-14-19-29(47)20-15-27/h12-15,17-20,24-25,30-35,46-48H,6-11,16,21-23,41H2,1-5H3,(H,42,50)(H,43,51)(H,44,49)(H,45,52)(H,53,54)
+CH$LINK: PUBCHEM CID:146683731
+CH$LINK: INCHIKEY IFKUPHYTIDOPIM-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 79-793
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.276 min
+MS$FOCUSED_ION: BASE_PEAK 770.4691
+MS$FOCUSED_ION: PRECURSOR_M/Z 756.4542
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-002r-7900000000-4cd07046849895b194b2
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  86.0965 C5H12N+ 1 86.0964 0.53
+  114.0914 C6H12NO+ 1 114.0913 0.19
+  128.1433 C8H18N+ 1 128.1434 -0.88
+  130.0864 C6H12NO2+ 1 130.0863 0.91
+  132.1018 C6H14NO2+ 1 132.1019 -0.71
+  140.1432 C9H18N+ 1 140.1434 -1.39
+  150.0912 C9H12NO+ 1 150.0913 -1.03
+  158.1535 C9H20NO+ 1 158.1539 -2.58
+  168.1381 C10H18NO+ 1 168.1383 -1.41
+  178.0856 C10H12NO2+ 2 178.0863 -3.42
+  196.1326 C11H18NO2+ 2 196.1332 -3.32
+  221.2008 C14H25N2+ 1 221.2012 -1.86
+  239.211 C12H25N5+ 2 239.2104 2.15
+  257.2223 C14H29N2O2+ 2 257.2224 -0.34
+  267.2067 C15H27N2O2+ 2 267.2067 -0.2
+  335.2329 C19H31N2O3+ 2 335.2329 -0.02
+PK$NUM_PEAK: 16
+PK$PEAK: m/z int. rel.int.
+  86.0965 15902003 999
+  114.0914 263171.3 16
+  128.1433 9915489 622
+  130.0864 607464.2 38
+  132.1018 1540422.4 96
+  140.1432 455050.9 28
+  150.0912 2597222.8 163
+  158.1535 806746.8 50
+  168.1381 1329254.5 83
+  178.0856 554196.3 34
+  196.1326 631550.4 39
+  221.2008 228702.9 14
+  239.211 544883 34
+  257.2223 386280.1 24
+  267.2067 501697.5 31
+  335.2329 591112.6 37
+//
diff --git a/Eawag/MSBNK-EAWAG-ED089806.txt b/Eawag/MSBNK-EAWAG-ED089806.txt
new file mode 100644
index 0000000000..67546788f7
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED089806.txt
@@ -0,0 +1,64 @@
+ACCESSION: MSBNK-EAWAG-ED089806
+RECORD_TITLE: Microginin 756; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1111/j.1574-6941.2012.01439.x
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 898
+CH$NAME: Microginin 756
+CH$NAME: 2-(2-(2-(3-amino-2-hydroxydecanamido)-3-methylbutanamido)-4-methylpentanamido)-4-(4-hydroxyphenyl)butanoyl)tyrosine
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C40H61N5O9
+CH$EXACT_MASS: 755.4469285
+CH$SMILES: O=C(NC(CC1=CC=C(O)C=C1)C(O)=O)C(CCC2=CC=C(O)C=C2)NC(C(CC(C)C)NC(C(C(C)C)NC(C(O)C(N[H])CCCCCCC)=O)=O)=O
+CH$IUPAC: InChI=1S/C40H61N5O9/c1-6-7-8-9-10-11-30(41)35(48)39(52)45-34(25(4)5)38(51)43-32(22-24(2)3)37(50)42-31(21-16-26-12-17-28(46)18-13-26)36(49)44-33(40(53)54)23-27-14-19-29(47)20-15-27/h12-15,17-20,24-25,30-35,46-48H,6-11,16,21-23,41H2,1-5H3,(H,42,50)(H,43,51)(H,44,49)(H,45,52)(H,53,54)
+CH$LINK: PUBCHEM CID:146683731
+CH$LINK: INCHIKEY IFKUPHYTIDOPIM-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 79-793
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.276 min
+MS$FOCUSED_ION: BASE_PEAK 770.4691
+MS$FOCUSED_ION: PRECURSOR_M/Z 756.4542
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-002r-7900000000-ba3473b7c4255d61b943
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  86.0965 C5H12N+ 1 86.0964 0.53
+  121.0646 C8H9O+ 1 121.0648 -1.62
+  128.1432 C8H18N+ 1 128.1434 -1
+  130.0863 C6H12NO2+ 1 130.0863 -0.03
+  132.1018 C6H14NO2+ 1 132.1019 -1.06
+  140.1432 C9H18N+ 1 140.1434 -1.5
+  150.0911 C9H12NO+ 1 150.0913 -1.44
+  158.1539 C9H20NO+ 1 158.1539 -0.45
+  168.1381 C10H18NO+ 1 168.1383 -1.31
+  178.0861 C10H12NO2+ 1 178.0863 -1.02
+  196.1327 C11H18NO2+ 2 196.1332 -2.62
+PK$NUM_PEAK: 11
+PK$PEAK: m/z int. rel.int.
+  86.0965 14501650 999
+  121.0646 244683 16
+  128.1432 10739016 739
+  130.0863 937517.5 64
+  132.1018 719969.1 49
+  140.1432 312557.6 21
+  150.0911 2687114.8 185
+  158.1539 571524.6 39
+  168.1381 947924.8 65
+  178.0861 387881.6 26
+  196.1327 532636.5 36
+//
diff --git a/Eawag/MSBNK-EAWAG-ED089807.txt b/Eawag/MSBNK-EAWAG-ED089807.txt
new file mode 100644
index 0000000000..152f5fcc55
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED089807.txt
@@ -0,0 +1,58 @@
+ACCESSION: MSBNK-EAWAG-ED089807
+RECORD_TITLE: Microginin 756; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1111/j.1574-6941.2012.01439.x
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 898
+CH$NAME: Microginin 756
+CH$NAME: 2-(2-(2-(3-amino-2-hydroxydecanamido)-3-methylbutanamido)-4-methylpentanamido)-4-(4-hydroxyphenyl)butanoyl)tyrosine
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C40H61N5O9
+CH$EXACT_MASS: 755.4469285
+CH$SMILES: O=C(NC(CC1=CC=C(O)C=C1)C(O)=O)C(CCC2=CC=C(O)C=C2)NC(C(CC(C)C)NC(C(C(C)C)NC(C(O)C(N[H])CCCCCCC)=O)=O)=O
+CH$IUPAC: InChI=1S/C40H61N5O9/c1-6-7-8-9-10-11-30(41)35(48)39(52)45-34(25(4)5)38(51)43-32(22-24(2)3)37(50)42-31(21-16-26-12-17-28(46)18-13-26)36(49)44-33(40(53)54)23-27-14-19-29(47)20-15-27/h12-15,17-20,24-25,30-35,46-48H,6-11,16,21-23,41H2,1-5H3,(H,42,50)(H,43,51)(H,44,49)(H,45,52)(H,53,54)
+CH$LINK: PUBCHEM CID:146683731
+CH$LINK: INCHIKEY IFKUPHYTIDOPIM-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 79-793
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.276 min
+MS$FOCUSED_ION: BASE_PEAK 770.4691
+MS$FOCUSED_ION: PRECURSOR_M/Z 756.4542
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-002r-8900000000-fa5de124e33d93bb7425
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  86.0965 C5H12N+ 1 86.0964 0.71
+  114.0911 C6H12NO+ 1 114.0913 -2.22
+  121.0646 C8H9O+ 1 121.0648 -1.3
+  128.1433 C8H18N+ 1 128.1434 -0.76
+  130.0861 C6H12NO2+ 1 130.0863 -0.85
+  150.0912 C9H12NO+ 1 150.0913 -1.03
+  158.1538 C9H20NO+ 1 158.1539 -0.74
+  168.138 C10H18NO+ 1 168.1383 -1.77
+PK$NUM_PEAK: 8
+PK$PEAK: m/z int. rel.int.
+  86.0965 13252427 999
+  114.0911 363628.6 27
+  121.0646 316319.3 23
+  128.1433 9406539 709
+  130.0861 895167.1 67
+  150.0912 2510534 189
+  158.1538 297246.6 22
+  168.138 627134.4 47
+//
diff --git a/Eawag/MSBNK-EAWAG-ED089808.txt b/Eawag/MSBNK-EAWAG-ED089808.txt
new file mode 100644
index 0000000000..e2fe092460
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED089808.txt
@@ -0,0 +1,54 @@
+ACCESSION: MSBNK-EAWAG-ED089808
+RECORD_TITLE: Microginin 756; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1111/j.1574-6941.2012.01439.x
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 898
+CH$NAME: Microginin 756
+CH$NAME: 2-(2-(2-(3-amino-2-hydroxydecanamido)-3-methylbutanamido)-4-methylpentanamido)-4-(4-hydroxyphenyl)butanoyl)tyrosine
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C40H61N5O9
+CH$EXACT_MASS: 755.4469285
+CH$SMILES: O=C(NC(CC1=CC=C(O)C=C1)C(O)=O)C(CCC2=CC=C(O)C=C2)NC(C(CC(C)C)NC(C(C(C)C)NC(C(O)C(N[H])CCCCCCC)=O)=O)=O
+CH$IUPAC: InChI=1S/C40H61N5O9/c1-6-7-8-9-10-11-30(41)35(48)39(52)45-34(25(4)5)38(51)43-32(22-24(2)3)37(50)42-31(21-16-26-12-17-28(46)18-13-26)36(49)44-33(40(53)54)23-27-14-19-29(47)20-15-27/h12-15,17-20,24-25,30-35,46-48H,6-11,16,21-23,41H2,1-5H3,(H,42,50)(H,43,51)(H,44,49)(H,45,52)(H,53,54)
+CH$LINK: PUBCHEM CID:146683731
+CH$LINK: INCHIKEY IFKUPHYTIDOPIM-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 79-793
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.276 min
+MS$FOCUSED_ION: BASE_PEAK 770.4691
+MS$FOCUSED_ION: PRECURSOR_M/Z 756.4542
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-002r-9700000000-d2a8a27e944e55d97709
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  86.0965 C5H12N+ 1 86.0964 0.35
+  121.0648 C8H9O+ 1 121.0648 0.34
+  128.1432 C8H18N+ 1 128.1434 -1
+  130.086 C6H12NO2+ 1 130.0863 -2.02
+  150.0911 C9H12NO+ 1 150.0913 -1.34
+  168.1376 C10H18NO+ 2 168.1383 -3.95
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  86.0965 10479104 999
+  121.0648 382826.3 36
+  128.1432 5618777 535
+  130.086 465113 44
+  150.0911 1842450.5 175
+  168.1376 305201.8 29
+//
diff --git a/Eawag/MSBNK-EAWAG-ED089809.txt b/Eawag/MSBNK-EAWAG-ED089809.txt
new file mode 100644
index 0000000000..2453db18ac
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED089809.txt
@@ -0,0 +1,52 @@
+ACCESSION: MSBNK-EAWAG-ED089809
+RECORD_TITLE: Microginin 756; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1111/j.1574-6941.2012.01439.x
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 898
+CH$NAME: Microginin 756
+CH$NAME: 2-(2-(2-(3-amino-2-hydroxydecanamido)-3-methylbutanamido)-4-methylpentanamido)-4-(4-hydroxyphenyl)butanoyl)tyrosine
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C40H61N5O9
+CH$EXACT_MASS: 755.4469285
+CH$SMILES: O=C(NC(CC1=CC=C(O)C=C1)C(O)=O)C(CCC2=CC=C(O)C=C2)NC(C(CC(C)C)NC(C(C(C)C)NC(C(O)C(N[H])CCCCCCC)=O)=O)=O
+CH$IUPAC: InChI=1S/C40H61N5O9/c1-6-7-8-9-10-11-30(41)35(48)39(52)45-34(25(4)5)38(51)43-32(22-24(2)3)37(50)42-31(21-16-26-12-17-28(46)18-13-26)36(49)44-33(40(53)54)23-27-14-19-29(47)20-15-27/h12-15,17-20,24-25,30-35,46-48H,6-11,16,21-23,41H2,1-5H3,(H,42,50)(H,43,51)(H,44,49)(H,45,52)(H,53,54)
+CH$LINK: PUBCHEM CID:146683731
+CH$LINK: INCHIKEY IFKUPHYTIDOPIM-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 79-793
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.276 min
+MS$FOCUSED_ION: BASE_PEAK 770.4691
+MS$FOCUSED_ION: PRECURSOR_M/Z 756.4542
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-000i-9400000000-dca2e52aa3d4988ed942
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  86.0965 C5H12N+ 1 86.0964 0.44
+  121.0647 C8H9O+ 1 121.0648 -0.42
+  128.1433 C8H18N+ 1 128.1434 -0.88
+  130.0863 C6H12NO2+ 1 130.0863 0.68
+  150.0912 C9H12NO+ 1 150.0913 -1.03
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  86.0965 9465837 999
+  121.0647 409983.6 43
+  128.1433 3146149.2 332
+  130.0863 280487.5 29
+  150.0912 1323965.8 139
+//
diff --git a/Eawag/MSBNK-EAWAG-ED089851.txt b/Eawag/MSBNK-EAWAG-ED089851.txt
new file mode 100644
index 0000000000..dbaac17516
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED089851.txt
@@ -0,0 +1,44 @@
+ACCESSION: MSBNK-EAWAG-ED089851
+RECORD_TITLE: Microginin 756; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1111/j.1574-6941.2012.01439.x
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 898
+CH$NAME: Microginin 756
+CH$NAME: 2-(2-(2-(3-amino-2-hydroxydecanamido)-3-methylbutanamido)-4-methylpentanamido)-4-(4-hydroxyphenyl)butanoyl)tyrosine
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C40H61N5O9
+CH$EXACT_MASS: 755.4469285
+CH$SMILES: O=C(NC(CC1=CC=C(O)C=C1)C(O)=O)C(CCC2=CC=C(O)C=C2)NC(C(CC(C)C)NC(C(C(C)C)NC(C(O)C(N[H])CCCCCCC)=O)=O)=O
+CH$IUPAC: InChI=1S/C40H61N5O9/c1-6-7-8-9-10-11-30(41)35(48)39(52)45-34(25(4)5)38(51)43-32(22-24(2)3)37(50)42-31(21-16-26-12-17-28(46)18-13-26)36(49)44-33(40(53)54)23-27-14-19-29(47)20-15-27/h12-15,17-20,24-25,30-35,46-48H,6-11,16,21-23,41H2,1-5H3,(H,42,50)(H,43,51)(H,44,49)(H,45,52)(H,53,54)
+CH$LINK: PUBCHEM CID:146683731
+CH$LINK: INCHIKEY IFKUPHYTIDOPIM-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 79-791
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.289 min
+MS$FOCUSED_ION: BASE_PEAK 768.4559
+MS$FOCUSED_ION: PRECURSOR_M/Z 754.4397
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0udi-0000000900-0d7e6649e8fffc40c59a
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  754.4402 C40H60N5O9- 1 754.4397 0.67
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  754.4402 21777490 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED089852.txt b/Eawag/MSBNK-EAWAG-ED089852.txt
new file mode 100644
index 0000000000..ff93f857eb
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED089852.txt
@@ -0,0 +1,44 @@
+ACCESSION: MSBNK-EAWAG-ED089852
+RECORD_TITLE: Microginin 756; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1111/j.1574-6941.2012.01439.x
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 898
+CH$NAME: Microginin 756
+CH$NAME: 2-(2-(2-(3-amino-2-hydroxydecanamido)-3-methylbutanamido)-4-methylpentanamido)-4-(4-hydroxyphenyl)butanoyl)tyrosine
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C40H61N5O9
+CH$EXACT_MASS: 755.4469285
+CH$SMILES: O=C(NC(CC1=CC=C(O)C=C1)C(O)=O)C(CCC2=CC=C(O)C=C2)NC(C(CC(C)C)NC(C(C(C)C)NC(C(O)C(N[H])CCCCCCC)=O)=O)=O
+CH$IUPAC: InChI=1S/C40H61N5O9/c1-6-7-8-9-10-11-30(41)35(48)39(52)45-34(25(4)5)38(51)43-32(22-24(2)3)37(50)42-31(21-16-26-12-17-28(46)18-13-26)36(49)44-33(40(53)54)23-27-14-19-29(47)20-15-27/h12-15,17-20,24-25,30-35,46-48H,6-11,16,21-23,41H2,1-5H3,(H,42,50)(H,43,51)(H,44,49)(H,45,52)(H,53,54)
+CH$LINK: PUBCHEM CID:146683731
+CH$LINK: INCHIKEY IFKUPHYTIDOPIM-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 79-791
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.289 min
+MS$FOCUSED_ION: BASE_PEAK 768.4559
+MS$FOCUSED_ION: PRECURSOR_M/Z 754.4397
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0udi-0000000900-d23650b7620c5a61dcd8
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  754.44 C40H60N5O9- 1 754.4397 0.51
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  754.44 21393190 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED089853.txt b/Eawag/MSBNK-EAWAG-ED089853.txt
new file mode 100644
index 0000000000..e69c538b07
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED089853.txt
@@ -0,0 +1,56 @@
+ACCESSION: MSBNK-EAWAG-ED089853
+RECORD_TITLE: Microginin 756; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1111/j.1574-6941.2012.01439.x
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 898
+CH$NAME: Microginin 756
+CH$NAME: 2-(2-(2-(3-amino-2-hydroxydecanamido)-3-methylbutanamido)-4-methylpentanamido)-4-(4-hydroxyphenyl)butanoyl)tyrosine
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C40H61N5O9
+CH$EXACT_MASS: 755.4469285
+CH$SMILES: O=C(NC(CC1=CC=C(O)C=C1)C(O)=O)C(CCC2=CC=C(O)C=C2)NC(C(CC(C)C)NC(C(C(C)C)NC(C(O)C(N[H])CCCCCCC)=O)=O)=O
+CH$IUPAC: InChI=1S/C40H61N5O9/c1-6-7-8-9-10-11-30(41)35(48)39(52)45-34(25(4)5)38(51)43-32(22-24(2)3)37(50)42-31(21-16-26-12-17-28(46)18-13-26)36(49)44-33(40(53)54)23-27-14-19-29(47)20-15-27/h12-15,17-20,24-25,30-35,46-48H,6-11,16,21-23,41H2,1-5H3,(H,42,50)(H,43,51)(H,44,49)(H,45,52)(H,53,54)
+CH$LINK: PUBCHEM CID:146683731
+CH$LINK: INCHIKEY IFKUPHYTIDOPIM-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 79-791
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.289 min
+MS$FOCUSED_ION: BASE_PEAK 768.4559
+MS$FOCUSED_ION: PRECURSOR_M/Z 754.4397
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0udi-0000000900-3b8e63868ac8a49f4ad1
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  180.0657 C7H8N4O2- 1 180.0653 2.2
+  282.1124 C17H16NO3- 2 282.1136 -4.02
+  357.1451 C19H21N2O5- 2 357.1456 -1.28
+  427.3291 C22H43N4O4- 3 427.329 0.22
+  573.3663 C31H49N4O6- 3 573.3658 0.94
+  648.3968 C33H54N5O8- 2 648.3978 -1.48
+  754.4397 C40H60N5O9- 1 754.4397 0.1
+PK$NUM_PEAK: 7
+PK$PEAK: m/z int. rel.int.
+  180.0657 247270.3 14
+  282.1124 177829.1 10
+  357.1451 415239.6 24
+  427.3291 192063.2 11
+  573.3663 219944.1 13
+  648.3968 271286.9 16
+  754.4397 16675514 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED089854.txt b/Eawag/MSBNK-EAWAG-ED089854.txt
new file mode 100644
index 0000000000..04902c429e
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED089854.txt
@@ -0,0 +1,76 @@
+ACCESSION: MSBNK-EAWAG-ED089854
+RECORD_TITLE: Microginin 756; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1111/j.1574-6941.2012.01439.x
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 898
+CH$NAME: Microginin 756
+CH$NAME: 2-(2-(2-(3-amino-2-hydroxydecanamido)-3-methylbutanamido)-4-methylpentanamido)-4-(4-hydroxyphenyl)butanoyl)tyrosine
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C40H61N5O9
+CH$EXACT_MASS: 755.4469285
+CH$SMILES: O=C(NC(CC1=CC=C(O)C=C1)C(O)=O)C(CCC2=CC=C(O)C=C2)NC(C(CC(C)C)NC(C(C(C)C)NC(C(O)C(N[H])CCCCCCC)=O)=O)=O
+CH$IUPAC: InChI=1S/C40H61N5O9/c1-6-7-8-9-10-11-30(41)35(48)39(52)45-34(25(4)5)38(51)43-32(22-24(2)3)37(50)42-31(21-16-26-12-17-28(46)18-13-26)36(49)44-33(40(53)54)23-27-14-19-29(47)20-15-27/h12-15,17-20,24-25,30-35,46-48H,6-11,16,21-23,41H2,1-5H3,(H,42,50)(H,43,51)(H,44,49)(H,45,52)(H,53,54)
+CH$LINK: PUBCHEM CID:146683731
+CH$LINK: INCHIKEY IFKUPHYTIDOPIM-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 79-791
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.289 min
+MS$FOCUSED_ION: BASE_PEAK 768.4559
+MS$FOCUSED_ION: PRECURSOR_M/Z 754.4397
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0udi-0111100900-7884845e5a73e5de98e4
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  126.0556 C6H8NO2- 1 126.0561 -3.9
+  143.1187 C7H15N2O- 1 143.119 -1.96
+  180.0659 C7H8N4O2- 2 180.0653 3.21
+  206.0452 C10H8NO4- 2 206.0459 -3.28
+  211.1441 C9H17N5O- 1 211.1439 1.1
+  242.1866 C12H24N3O2- 1 242.1874 -3.3
+  282.113 C17H16NO3- 2 282.1136 -2.07
+  314.2444 C16H32N3O3- 1 314.2449 -1.69
+  326.1031 C18H16NO5- 2 326.1034 -1.02
+  357.1454 C19H21N2O5- 2 357.1456 -0.6
+  427.3286 C22H43N4O4- 3 427.329 -0.78
+  467.3233 C24H43N4O5- 4 467.3239 -1.26
+  470.2299 C25H32N3O6- 2 470.2297 0.44
+  573.3661 C31H49N4O6- 3 573.3658 0.62
+  604.4065 C32H54N5O6- 3 604.408 -2.46
+  648.3977 C33H54N5O8- 2 648.3978 -0.16
+  754.4399 C40H60N5O9- 1 754.4397 0.27
+PK$NUM_PEAK: 17
+PK$PEAK: m/z int. rel.int.
+  126.0556 131002 14
+  143.1187 122706.8 13
+  180.0659 1114787.9 122
+  206.0452 156911.5 17
+  211.1441 108231.9 11
+  242.1866 154376.5 16
+  282.113 844073.8 92
+  314.2444 136252.1 14
+  326.1031 232380.4 25
+  357.1454 1119039.1 122
+  427.3286 474429 52
+  467.3233 400933.2 44
+  470.2299 180328.5 19
+  573.3661 320412.1 35
+  604.4065 200480.2 22
+  648.3977 672540.5 73
+  754.4399 9097364 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED089855.txt b/Eawag/MSBNK-EAWAG-ED089855.txt
new file mode 100644
index 0000000000..7108dc6bc3
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED089855.txt
@@ -0,0 +1,92 @@
+ACCESSION: MSBNK-EAWAG-ED089855
+RECORD_TITLE: Microginin 756; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1111/j.1574-6941.2012.01439.x
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 898
+CH$NAME: Microginin 756
+CH$NAME: 2-(2-(2-(3-amino-2-hydroxydecanamido)-3-methylbutanamido)-4-methylpentanamido)-4-(4-hydroxyphenyl)butanoyl)tyrosine
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C40H61N5O9
+CH$EXACT_MASS: 755.4469285
+CH$SMILES: O=C(NC(CC1=CC=C(O)C=C1)C(O)=O)C(CCC2=CC=C(O)C=C2)NC(C(CC(C)C)NC(C(C(C)C)NC(C(O)C(N[H])CCCCCCC)=O)=O)=O
+CH$IUPAC: InChI=1S/C40H61N5O9/c1-6-7-8-9-10-11-30(41)35(48)39(52)45-34(25(4)5)38(51)43-32(22-24(2)3)37(50)42-31(21-16-26-12-17-28(46)18-13-26)36(49)44-33(40(53)54)23-27-14-19-29(47)20-15-27/h12-15,17-20,24-25,30-35,46-48H,6-11,16,21-23,41H2,1-5H3,(H,42,50)(H,43,51)(H,44,49)(H,45,52)(H,53,54)
+CH$LINK: PUBCHEM CID:146683731
+CH$LINK: INCHIKEY IFKUPHYTIDOPIM-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 79-791
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.289 min
+MS$FOCUSED_ION: BASE_PEAK 768.4559
+MS$FOCUSED_ION: PRECURSOR_M/Z 754.4397
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-001i-0971000000-bbf5ef247f9cedfe5dc5
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  93.0345 C6H5O- 1 93.0346 -0.93
+  107.0502 C7H7O- 1 107.0502 -0.22
+  119.0501 C8H7O- 1 119.0502 -1.09
+  126.0559 C6H8NO2- 1 126.0561 -1.54
+  129.1031 C6H13N2O- 1 129.1033 -1.97
+  134.0608 C8H8NO- 1 134.0611 -2.22
+  143.1186 C7H15N2O- 1 143.119 -2.82
+  145.029 C9H5O2- 1 145.0295 -3.23
+  147.0446 C9H7O2- 1 147.0452 -3.86
+  156.066 C7H10NO3- 2 156.0666 -3.81
+  162.0555 C7H6N4O- 2 162.0547 4.65
+  176.0708 C8H8N4O- 1 176.0704 2.51
+  180.0658 C7H8N4O2- 2 180.0653 3.04
+  205.0979 C11H13N2O2- 1 205.0983 -1.53
+  206.0453 C10H8NO4- 2 206.0459 -2.61
+  207.1132 C9H13N5O- 2 207.1126 3.17
+  211.1445 C9H17N5O- 2 211.1439 2.84
+  242.1866 C12H24N3O2- 1 242.1874 -3.23
+  251.103 C10H13N5O3- 2 251.1024 2.48
+  265.1916 C15H25N2O2- 2 265.1922 -2.03
+  282.113 C17H16NO3- 2 282.1136 -1.86
+  314.245 C16H32N3O3- 2 314.2449 0.15
+  326.1028 C18H16NO5- 2 326.1034 -1.96
+  357.1453 C19H21N2O5- 2 357.1456 -0.77
+  467.3233 C24H43N4O5- 4 467.3239 -1.2
+PK$NUM_PEAK: 25
+PK$PEAK: m/z int. rel.int.
+  93.0345 115327.2 60
+  107.0502 62811.5 32
+  119.0501 506107 265
+  126.0559 280568.7 147
+  129.1031 243072.3 127
+  134.0608 390507.2 204
+  143.1186 551868.5 289
+  145.029 143653.4 75
+  147.0446 196817.2 103
+  156.066 65100.4 34
+  162.0555 140761.5 73
+  176.0708 175160 91
+  180.0658 1905767.9 999
+  205.0979 156295.6 81
+  206.0453 128822.1 67
+  207.1132 403047.2 211
+  211.1445 377949.4 198
+  242.1866 412856.8 216
+  251.103 321829.2 168
+  265.1916 558388.6 292
+  282.113 1469283.8 770
+  314.245 255988.9 134
+  326.1028 94240.1 49
+  357.1453 669528.1 350
+  467.3233 151257.9 79
+//
diff --git a/Eawag/MSBNK-EAWAG-ED089856.txt b/Eawag/MSBNK-EAWAG-ED089856.txt
new file mode 100644
index 0000000000..6defeaf42c
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED089856.txt
@@ -0,0 +1,98 @@
+ACCESSION: MSBNK-EAWAG-ED089856
+RECORD_TITLE: Microginin 756; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1111/j.1574-6941.2012.01439.x
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 898
+CH$NAME: Microginin 756
+CH$NAME: 2-(2-(2-(3-amino-2-hydroxydecanamido)-3-methylbutanamido)-4-methylpentanamido)-4-(4-hydroxyphenyl)butanoyl)tyrosine
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C40H61N5O9
+CH$EXACT_MASS: 755.4469285
+CH$SMILES: O=C(NC(CC1=CC=C(O)C=C1)C(O)=O)C(CCC2=CC=C(O)C=C2)NC(C(CC(C)C)NC(C(C(C)C)NC(C(O)C(N[H])CCCCCCC)=O)=O)=O
+CH$IUPAC: InChI=1S/C40H61N5O9/c1-6-7-8-9-10-11-30(41)35(48)39(52)45-34(25(4)5)38(51)43-32(22-24(2)3)37(50)42-31(21-16-26-12-17-28(46)18-13-26)36(49)44-33(40(53)54)23-27-14-19-29(47)20-15-27/h12-15,17-20,24-25,30-35,46-48H,6-11,16,21-23,41H2,1-5H3,(H,42,50)(H,43,51)(H,44,49)(H,45,52)(H,53,54)
+CH$LINK: PUBCHEM CID:146683731
+CH$LINK: INCHIKEY IFKUPHYTIDOPIM-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 79-791
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.289 min
+MS$FOCUSED_ION: BASE_PEAK 768.4559
+MS$FOCUSED_ION: PRECURSOR_M/Z 754.4397
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00lr-0930000000-0132bd82c67c7a1a2c05
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  87.0563 C3H7N2O- 1 87.0564 -0.75
+  93.0345 C6H5O- 1 93.0346 -0.93
+  101.0723 C4H9N2O- 1 101.072 2.27
+  107.0501 C7H7O- 1 107.0502 -1.08
+  113.0352 C4H5N2O2- 1 113.0357 -4.04
+  119.0501 C8H7O- 1 119.0502 -0.76
+  126.0557 C6H8NO2- 1 126.0561 -2.87
+  129.1031 C6H13N2O- 1 129.1033 -1.5
+  130.0874 C6H12NO2- 1 130.0874 0.27
+  134.0609 C8H8NO- 1 134.0611 -1.76
+  136.0767 C8H10NO- 1 136.0768 -0.98
+  140.0713 C7H10NO2- 1 140.0717 -3.08
+  143.1186 C7H15N2O- 1 143.119 -2.71
+  145.0291 C9H5O2- 1 145.0295 -2.49
+  147.0445 C9H7O2- 2 147.0452 -4.27
+  162.0552 C7H6N4O- 1 162.0547 2.86
+  163.0395 C9H7O3- 2 163.0401 -3.63
+  168.09 C8H12N2O2- 1 168.0904 -2.44
+  174.0552 C8H6N4O- 2 174.0547 2.89
+  176.0709 C8H8N4O- 2 176.0704 3.29
+  180.0659 C7H8N4O2- 2 180.0653 3.3
+  205.0974 C11H13N2O2- 2 205.0983 -4.21
+  207.1131 C9H13N5O- 2 207.1126 2.58
+  211.1446 C9H17N5O- 2 211.1439 3.34
+  242.1867 C12H24N3O2- 1 242.1874 -2.85
+  251.1028 C10H13N5O3- 2 251.1024 1.51
+  265.1917 C15H25N2O2- 2 265.1922 -1.8
+  282.113 C17H16NO3- 2 282.1136 -1.97
+PK$NUM_PEAK: 28
+PK$PEAK: m/z int. rel.int.
+  87.0563 147807.7 118
+  93.0345 222708.2 178
+  101.0723 25307.9 20
+  107.0501 134685.8 107
+  113.0352 65336.9 52
+  119.0501 1148050.9 920
+  126.0557 160595.8 128
+  129.1031 605731.1 485
+  130.0874 90106.2 72
+  134.0609 529629.1 424
+  136.0767 121597.2 97
+  140.0713 88831.4 71
+  143.1186 725126 581
+  145.0291 190542.6 152
+  147.0445 97504.8 78
+  162.0552 206362.5 165
+  163.0395 472322 378
+  168.09 85009.4 68
+  174.0552 74611.3 59
+  176.0709 169893.9 136
+  180.0659 1246303.6 999
+  205.0974 116974.5 93
+  207.1131 425515.6 341
+  211.1446 246195.6 197
+  242.1867 236027.2 189
+  251.1028 134015.1 107
+  265.1917 301829.2 241
+  282.113 685092 549
+//
diff --git a/Eawag/MSBNK-EAWAG-ED089857.txt b/Eawag/MSBNK-EAWAG-ED089857.txt
new file mode 100644
index 0000000000..a9e4554e8c
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED089857.txt
@@ -0,0 +1,80 @@
+ACCESSION: MSBNK-EAWAG-ED089857
+RECORD_TITLE: Microginin 756; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1111/j.1574-6941.2012.01439.x
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 898
+CH$NAME: Microginin 756
+CH$NAME: 2-(2-(2-(3-amino-2-hydroxydecanamido)-3-methylbutanamido)-4-methylpentanamido)-4-(4-hydroxyphenyl)butanoyl)tyrosine
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C40H61N5O9
+CH$EXACT_MASS: 755.4469285
+CH$SMILES: O=C(NC(CC1=CC=C(O)C=C1)C(O)=O)C(CCC2=CC=C(O)C=C2)NC(C(CC(C)C)NC(C(C(C)C)NC(C(O)C(N[H])CCCCCCC)=O)=O)=O
+CH$IUPAC: InChI=1S/C40H61N5O9/c1-6-7-8-9-10-11-30(41)35(48)39(52)45-34(25(4)5)38(51)43-32(22-24(2)3)37(50)42-31(21-16-26-12-17-28(46)18-13-26)36(49)44-33(40(53)54)23-27-14-19-29(47)20-15-27/h12-15,17-20,24-25,30-35,46-48H,6-11,16,21-23,41H2,1-5H3,(H,42,50)(H,43,51)(H,44,49)(H,45,52)(H,53,54)
+CH$LINK: PUBCHEM CID:146683731
+CH$LINK: INCHIKEY IFKUPHYTIDOPIM-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 79-791
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.289 min
+MS$FOCUSED_ION: BASE_PEAK 768.4559
+MS$FOCUSED_ION: PRECURSOR_M/Z 754.4397
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-015c-0900000000-0227d1d3795974bb7cc8
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  85.0407 C3H5N2O- 1 85.0407 -1
+  87.0564 C3H7N2O- 1 87.0564 0.13
+  93.0345 C6H5O- 1 93.0346 -0.84
+  107.0501 C7H7O- 1 107.0502 -1.22
+  119.0502 C8H7O- 1 119.0502 -0.57
+  129.1032 C6H13N2O- 1 129.1033 -1.38
+  132.0578 C9H8O- 1 132.0581 -2.37
+  134.0609 C8H8NO- 1 134.0611 -1.76
+  143.1187 C7H15N2O- 1 143.119 -2.28
+  145.0289 C9H5O2- 1 145.0295 -3.96
+  146.0606 C9H8NO- 1 146.0611 -3.64
+  152.0587 C7H8N2O2- 1 152.0591 -3.01
+  152.1439 C10H18N- 1 152.1445 -3.85
+  154.0744 C7H10N2O2- 1 154.0748 -2.3
+  162.0554 C7H6N4O- 2 162.0547 4.18
+  163.0395 C9H7O3- 2 163.0401 -3.35
+  180.0659 C7H8N4O2- 2 180.0653 3.3
+  242.1866 C12H24N3O2- 1 242.1874 -3.3
+  265.1916 C15H25N2O2- 2 265.1922 -2.15
+PK$NUM_PEAK: 19
+PK$PEAK: m/z int. rel.int.
+  85.0407 61875.2 46
+  87.0564 211423.9 160
+  93.0345 172675.9 131
+  107.0501 111807.1 84
+  119.0502 1316371.8 999
+  129.1032 541019.3 410
+  132.0578 70750.6 53
+  134.0609 445856.9 338
+  143.1187 497539.8 377
+  145.0289 122170.9 92
+  146.0606 31410.5 23
+  152.0587 21054.5 15
+  152.1439 48021.8 36
+  154.0744 57808.4 43
+  162.0554 164208.5 124
+  163.0395 364893.2 276
+  180.0659 456956.2 346
+  242.1866 76576.1 58
+  265.1916 57999.3 44
+//
diff --git a/Eawag/MSBNK-EAWAG-ED089858.txt b/Eawag/MSBNK-EAWAG-ED089858.txt
new file mode 100644
index 0000000000..0ded111044
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED089858.txt
@@ -0,0 +1,76 @@
+ACCESSION: MSBNK-EAWAG-ED089858
+RECORD_TITLE: Microginin 756; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1111/j.1574-6941.2012.01439.x
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 898
+CH$NAME: Microginin 756
+CH$NAME: 2-(2-(2-(3-amino-2-hydroxydecanamido)-3-methylbutanamido)-4-methylpentanamido)-4-(4-hydroxyphenyl)butanoyl)tyrosine
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C40H61N5O9
+CH$EXACT_MASS: 755.4469285
+CH$SMILES: O=C(NC(CC1=CC=C(O)C=C1)C(O)=O)C(CCC2=CC=C(O)C=C2)NC(C(CC(C)C)NC(C(C(C)C)NC(C(O)C(N[H])CCCCCCC)=O)=O)=O
+CH$IUPAC: InChI=1S/C40H61N5O9/c1-6-7-8-9-10-11-30(41)35(48)39(52)45-34(25(4)5)38(51)43-32(22-24(2)3)37(50)42-31(21-16-26-12-17-28(46)18-13-26)36(49)44-33(40(53)54)23-27-14-19-29(47)20-15-27/h12-15,17-20,24-25,30-35,46-48H,6-11,16,21-23,41H2,1-5H3,(H,42,50)(H,43,51)(H,44,49)(H,45,52)(H,53,54)
+CH$LINK: PUBCHEM CID:146683731
+CH$LINK: INCHIKEY IFKUPHYTIDOPIM-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 79-791
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.289 min
+MS$FOCUSED_ION: BASE_PEAK 768.4559
+MS$FOCUSED_ION: PRECURSOR_M/Z 754.4397
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-014i-1900000000-681a8c0e7efdfe0eab11
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  87.0563 C3H7N2O- 1 87.0564 -0.75
+  93.0345 C6H5O- 1 93.0346 -1.34
+  106.0423 C7H6O- 1 106.0424 -0.62
+  107.0501 C7H7O- 1 107.0502 -1.29
+  113.0357 C4H5N2O2- 1 113.0357 0.28
+  117.0346 C8H5O- 1 117.0346 -0.12
+  119.0502 C8H7O- 1 119.0502 -0.64
+  125.0357 C5H5N2O2- 1 125.0357 0.31
+  129.1032 C6H13N2O- 1 129.1033 -1.26
+  133.0531 C8H7NO- 1 133.0533 -1.25
+  134.0609 C8H8NO- 1 134.0611 -2.1
+  140.0714 C7H10NO2- 1 140.0717 -1.99
+  143.1186 C7H15N2O- 1 143.119 -2.5
+  145.029 C9H5O2- 1 145.0295 -3.75
+  163.0395 C9H7O3- 2 163.0401 -3.25
+  174.0553 C8H6N4O- 2 174.0547 3.24
+  180.0658 C7H8N4O2- 2 180.0653 3.04
+PK$NUM_PEAK: 17
+PK$PEAK: m/z int. rel.int.
+  87.0563 237513.4 178
+  93.0345 210555.3 158
+  106.0423 50352.3 37
+  107.0501 105624.4 79
+  113.0357 41902.3 31
+  117.0346 43684 32
+  119.0502 1326110.8 999
+  125.0357 48737.1 36
+  129.1032 456633 343
+  133.0531 104019.1 78
+  134.0609 378520.8 285
+  140.0714 26987.1 20
+  143.1186 257364.2 193
+  145.029 92733.6 69
+  163.0395 253240.4 190
+  174.0553 37050.2 27
+  180.0658 159974 120
+//
diff --git a/Eawag/MSBNK-EAWAG-ED089859.txt b/Eawag/MSBNK-EAWAG-ED089859.txt
new file mode 100644
index 0000000000..6c4dd9bc74
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED089859.txt
@@ -0,0 +1,68 @@
+ACCESSION: MSBNK-EAWAG-ED089859
+RECORD_TITLE: Microginin 756; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1111/j.1574-6941.2012.01439.x
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 898
+CH$NAME: Microginin 756
+CH$NAME: 2-(2-(2-(3-amino-2-hydroxydecanamido)-3-methylbutanamido)-4-methylpentanamido)-4-(4-hydroxyphenyl)butanoyl)tyrosine
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C40H61N5O9
+CH$EXACT_MASS: 755.4469285
+CH$SMILES: O=C(NC(CC1=CC=C(O)C=C1)C(O)=O)C(CCC2=CC=C(O)C=C2)NC(C(CC(C)C)NC(C(C(C)C)NC(C(O)C(N[H])CCCCCCC)=O)=O)=O
+CH$IUPAC: InChI=1S/C40H61N5O9/c1-6-7-8-9-10-11-30(41)35(48)39(52)45-34(25(4)5)38(51)43-32(22-24(2)3)37(50)42-31(21-16-26-12-17-28(46)18-13-26)36(49)44-33(40(53)54)23-27-14-19-29(47)20-15-27/h12-15,17-20,24-25,30-35,46-48H,6-11,16,21-23,41H2,1-5H3,(H,42,50)(H,43,51)(H,44,49)(H,45,52)(H,53,54)
+CH$LINK: PUBCHEM CID:146683731
+CH$LINK: INCHIKEY IFKUPHYTIDOPIM-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 79-791
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.289 min
+MS$FOCUSED_ION: BASE_PEAK 768.4559
+MS$FOCUSED_ION: PRECURSOR_M/Z 754.4397
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-014i-1900000000-ee9708a947f44e56fb3a
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  87.0563 C3H7N2O- 1 87.0564 -0.93
+  93.0344 C6H5O- 1 93.0346 -1.5
+  106.0422 C7H6O- 1 106.0424 -1.69
+  107.0502 C7H7O- 1 107.0502 -0.79
+  117.0345 C8H5O- 1 117.0346 -0.97
+  119.0501 C8H7O- 1 119.0502 -1.21
+  125.0357 C5H5N2O2- 1 125.0357 0
+  129.1031 C6H13N2O- 1 129.1033 -1.62
+  133.053 C8H7NO- 1 133.0533 -2.05
+  134.0609 C8H8NO- 1 134.0611 -1.76
+  139.051 C6H7N2O2- 1 139.0513 -2.04
+  143.1184 C7H15N2O- 1 143.119 -3.99
+  163.0395 C9H7O3- 2 163.0401 -3.25
+PK$NUM_PEAK: 13
+PK$PEAK: m/z int. rel.int.
+  87.0563 153531.9 148
+  93.0344 176348.8 170
+  106.0422 46684.5 45
+  107.0502 89923.7 87
+  117.0345 64332.3 62
+  119.0501 1030840.7 999
+  125.0357 68158.1 66
+  129.1031 221139.2 214
+  133.053 103885.5 100
+  134.0609 251947.5 244
+  139.051 59924.2 58
+  143.1184 117183 113
+  163.0395 100541.5 97
+//
diff --git a/Eawag/MSBNK-EAWAG-ED091201.txt b/Eawag/MSBNK-EAWAG-ED091201.txt
new file mode 100644
index 0000000000..63c00b1c9c
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED091201.txt
@@ -0,0 +1,46 @@
+ACCESSION: MSBNK-EAWAG-ED091201
+RECORD_TITLE: Microginin GH787; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [dtc], A. Miglione [dtc], L. Tartaglione [dtc], F. Varriale [dtc], C. Dell'Aversano [dtc], S.K. Zervou [dtc], T. M. Triantis [dtc], T. Kaloudis [dtc], A. Hiskia [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.chemosphere.2022.137014
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 912
+CH$NAME: Microginin GH787
+CH$NAME: N-(((2S,3R)-3-amino-10-chloro-2-hydroxydecanoyl)-L-tyrosyl)-N-methyl-D-isoleucyl-L-prolyl-D-tyrosine
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C40H58ClN5O9
+CH$EXACT_MASS: 787.3923061
+CH$SMILES: O[C@@H]([C@@H](CCCCCCCCl)N)C(N[C@@H](CC1=CC=C(C=C1)O)C(N([C@H]([C@H](C)CC)C(N2[C@@H](CCC2)C(N[C@@H](C(O)=O)CC3=CC=C(C=C3)O)=O)=O)C)=O)=O
+CH$IUPAC: InChI=1S/C40H58ClN5O9/c1-4-25(2)34(39(53)46-22-10-12-33(46)36(50)44-32(40(54)55)24-27-15-19-29(48)20-16-27)45(3)38(52)31(23-26-13-17-28(47)18-14-26)43-37(51)35(49)30(42)11-8-6-5-7-9-21-41/h13-20,25,30-35,47-49H,4-12,21-24,42H2,1-3H3,(H,43,51)(H,44,50)(H,54,55)/t25-,30-,31+,32-,33+,34-,35+/m1/s1
+CH$LINK: PUBCHEM CID:155802432
+CH$LINK: INCHIKEY XYGVUPXPWWMUAK-UYFULXBISA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 82-825
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.215 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 788.3996
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03di-0000090400-3c0f969088d735c734e3
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  510.2723 C29H38N2O6+ 5 510.2724 -0.24
+  788.3989 C40H59ClN5O9+ 1 788.3996 -0.81
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  510.2723 2625499.8 999
+  788.3989 1235012.6 469
+//
diff --git a/Eawag/MSBNK-EAWAG-ED091202.txt b/Eawag/MSBNK-EAWAG-ED091202.txt
new file mode 100644
index 0000000000..16007671f7
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED091202.txt
@@ -0,0 +1,50 @@
+ACCESSION: MSBNK-EAWAG-ED091202
+RECORD_TITLE: Microginin GH787; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [dtc], A. Miglione [dtc], L. Tartaglione [dtc], F. Varriale [dtc], C. Dell'Aversano [dtc], S.K. Zervou [dtc], T. M. Triantis [dtc], T. Kaloudis [dtc], A. Hiskia [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.chemosphere.2022.137014
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 912
+CH$NAME: Microginin GH787
+CH$NAME: N-(((2S,3R)-3-amino-10-chloro-2-hydroxydecanoyl)-L-tyrosyl)-N-methyl-D-isoleucyl-L-prolyl-D-tyrosine
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C40H58ClN5O9
+CH$EXACT_MASS: 787.3923061
+CH$SMILES: O[C@@H]([C@@H](CCCCCCCCl)N)C(N[C@@H](CC1=CC=C(C=C1)O)C(N([C@H]([C@H](C)CC)C(N2[C@@H](CCC2)C(N[C@@H](C(O)=O)CC3=CC=C(C=C3)O)=O)=O)C)=O)=O
+CH$IUPAC: InChI=1S/C40H58ClN5O9/c1-4-25(2)34(39(53)46-22-10-12-33(46)36(50)44-32(40(54)55)24-27-15-19-29(48)20-16-27)45(3)38(52)31(23-26-13-17-28(47)18-14-26)43-37(51)35(49)30(42)11-8-6-5-7-9-21-41/h13-20,25,30-35,47-49H,4-12,21-24,42H2,1-3H3,(H,43,51)(H,44,50)(H,54,55)/t25-,30-,31+,32-,33+,34-,35+/m1/s1
+CH$LINK: PUBCHEM CID:155802432
+CH$LINK: INCHIKEY XYGVUPXPWWMUAK-UYFULXBISA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 82-825
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.215 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 788.3996
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0gba-0917000000-4d5f5718bb67b4444635
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  100.1121 C6H14N+ 1 100.1121 0.55
+  146.1175 C7H16NO2+ 2 146.1176 -0.21
+  202.099 C13H14O2+ 2 202.0988 0.82
+  365.1626 C23H19N5+ 5 365.1635 -2.5
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  100.1121 142075.3 668
+  146.1175 120929 569
+  202.099 44500.2 209
+  365.1626 212285.2 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED091203.txt b/Eawag/MSBNK-EAWAG-ED091203.txt
new file mode 100644
index 0000000000..48a29530c9
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED091203.txt
@@ -0,0 +1,60 @@
+ACCESSION: MSBNK-EAWAG-ED091203
+RECORD_TITLE: Microginin GH787; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [dtc], A. Miglione [dtc], L. Tartaglione [dtc], F. Varriale [dtc], C. Dell'Aversano [dtc], S.K. Zervou [dtc], T. M. Triantis [dtc], T. Kaloudis [dtc], A. Hiskia [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.chemosphere.2022.137014
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 912
+CH$NAME: Microginin GH787
+CH$NAME: N-(((2S,3R)-3-amino-10-chloro-2-hydroxydecanoyl)-L-tyrosyl)-N-methyl-D-isoleucyl-L-prolyl-D-tyrosine
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C40H58ClN5O9
+CH$EXACT_MASS: 787.3923061
+CH$SMILES: O[C@@H]([C@@H](CCCCCCCCl)N)C(N[C@@H](CC1=CC=C(C=C1)O)C(N([C@H]([C@H](C)CC)C(N2[C@@H](CCC2)C(N[C@@H](C(O)=O)CC3=CC=C(C=C3)O)=O)=O)C)=O)=O
+CH$IUPAC: InChI=1S/C40H58ClN5O9/c1-4-25(2)34(39(53)46-22-10-12-33(46)36(50)44-32(40(54)55)24-27-15-19-29(48)20-16-27)45(3)38(52)31(23-26-13-17-28(47)18-14-26)43-37(51)35(49)30(42)11-8-6-5-7-9-21-41/h13-20,25,30-35,47-49H,4-12,21-24,42H2,1-3H3,(H,43,51)(H,44,50)(H,54,55)/t25-,30-,31+,32-,33+,34-,35+/m1/s1
+CH$LINK: PUBCHEM CID:155802432
+CH$LINK: INCHIKEY XYGVUPXPWWMUAK-UYFULXBISA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 82-825
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.215 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 788.3996
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0ik9-0815090000-8ba499b3c3fc3ee0cfdc
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  100.1121 C6H14N+ 1 100.1121 0.48
+  146.1175 C7H16NO2+ 2 146.1176 -0.63
+  162.1039 C11H14O+ 2 162.1039 0
+  192.1142 C12H16O2+ 3 192.1145 -1.56
+  202.0988 C13H14O2+ 3 202.0988 -0.01
+  309.1808 C16H25N2O4+ 3 309.1809 -0.29
+  365.1623 C23H19N5+ 5 365.1635 -3.17
+  383.1734 C19H28ClN2O4+ 4 383.1732 0.56
+  510.2727 C29H38N2O6+ 6 510.2724 0.47
+PK$NUM_PEAK: 9
+PK$PEAK: m/z int. rel.int.
+  100.1121 531597.2 477
+  146.1175 247330.9 222
+  162.1039 244586.2 219
+  192.1142 27659.8 24
+  202.0988 180611 162
+  309.1808 118485.3 106
+  365.1623 390570.6 350
+  383.1734 130062.9 116
+  510.2727 1112501.8 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED091204.txt b/Eawag/MSBNK-EAWAG-ED091204.txt
new file mode 100644
index 0000000000..84f0f05f2d
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED091204.txt
@@ -0,0 +1,70 @@
+ACCESSION: MSBNK-EAWAG-ED091204
+RECORD_TITLE: Microginin GH787; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [dtc], A. Miglione [dtc], L. Tartaglione [dtc], F. Varriale [dtc], C. Dell'Aversano [dtc], S.K. Zervou [dtc], T. M. Triantis [dtc], T. Kaloudis [dtc], A. Hiskia [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.chemosphere.2022.137014
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 912
+CH$NAME: Microginin GH787
+CH$NAME: N-(((2S,3R)-3-amino-10-chloro-2-hydroxydecanoyl)-L-tyrosyl)-N-methyl-D-isoleucyl-L-prolyl-D-tyrosine
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C40H58ClN5O9
+CH$EXACT_MASS: 787.3923061
+CH$SMILES: O[C@@H]([C@@H](CCCCCCCCl)N)C(N[C@@H](CC1=CC=C(C=C1)O)C(N([C@H]([C@H](C)CC)C(N2[C@@H](CCC2)C(N[C@@H](C(O)=O)CC3=CC=C(C=C3)O)=O)=O)C)=O)=O
+CH$IUPAC: InChI=1S/C40H58ClN5O9/c1-4-25(2)34(39(53)46-22-10-12-33(46)36(50)44-32(40(54)55)24-27-15-19-29(48)20-16-27)45(3)38(52)31(23-26-13-17-28(47)18-14-26)43-37(51)35(49)30(42)11-8-6-5-7-9-21-41/h13-20,25,30-35,47-49H,4-12,21-24,42H2,1-3H3,(H,43,51)(H,44,50)(H,54,55)/t25-,30-,31+,32-,33+,34-,35+/m1/s1
+CH$LINK: PUBCHEM CID:155802432
+CH$LINK: INCHIKEY XYGVUPXPWWMUAK-UYFULXBISA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 82-825
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.215 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 788.3996
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0w29-0912010000-82dda759b5bcd11d6a09
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  100.1121 C6H14N+ 1 100.1121 0.48
+  136.0755 C8H10NO+ 2 136.0757 -1.08
+  146.1175 C7H16NO2+ 2 146.1176 -0.42
+  162.1041 C11H14O+ 2 162.1039 1.03
+  174.1038 C12H14O+ 2 174.1039 -0.81
+  192.1143 C12H16O2+ 3 192.1145 -0.69
+  202.0988 C13H14O2+ 3 202.0988 -0.01
+  274.144 C16H20NO3+ 3 274.1438 0.71
+  309.1807 C16H25N2O4+ 3 309.1809 -0.48
+  337.1675 C18H26ClN2O2+ 4 337.1677 -0.64
+  365.1621 C23H19N5+ 5 365.1635 -3.75
+  383.1722 C19H28ClN2O4+ 6 383.1732 -2.62
+  482.2793 C25H41ClN3O4+ 6 482.278 2.63
+  510.2725 C29H38N2O6+ 5 510.2724 0.06
+PK$NUM_PEAK: 14
+PK$PEAK: m/z int. rel.int.
+  100.1121 899763.8 999
+  136.0755 81746.1 90
+  146.1175 263664.9 292
+  162.1041 513655.2 570
+  174.1038 39997.3 44
+  192.1143 53307.1 59
+  202.0988 267140.3 296
+  274.144 61205.8 67
+  309.1807 112552.7 124
+  337.1675 111471.1 123
+  365.1621 244296.7 271
+  383.1722 63119.7 70
+  482.2793 20830.9 23
+  510.2725 225354 250
+//
diff --git a/Eawag/MSBNK-EAWAG-ED091205.txt b/Eawag/MSBNK-EAWAG-ED091205.txt
new file mode 100644
index 0000000000..b528c15887
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED091205.txt
@@ -0,0 +1,62 @@
+ACCESSION: MSBNK-EAWAG-ED091205
+RECORD_TITLE: Microginin GH787; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [dtc], A. Miglione [dtc], L. Tartaglione [dtc], F. Varriale [dtc], C. Dell'Aversano [dtc], S.K. Zervou [dtc], T. M. Triantis [dtc], T. Kaloudis [dtc], A. Hiskia [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.chemosphere.2022.137014
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 912
+CH$NAME: Microginin GH787
+CH$NAME: N-(((2S,3R)-3-amino-10-chloro-2-hydroxydecanoyl)-L-tyrosyl)-N-methyl-D-isoleucyl-L-prolyl-D-tyrosine
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C40H58ClN5O9
+CH$EXACT_MASS: 787.3923061
+CH$SMILES: O[C@@H]([C@@H](CCCCCCCCl)N)C(N[C@@H](CC1=CC=C(C=C1)O)C(N([C@H]([C@H](C)CC)C(N2[C@@H](CCC2)C(N[C@@H](C(O)=O)CC3=CC=C(C=C3)O)=O)=O)C)=O)=O
+CH$IUPAC: InChI=1S/C40H58ClN5O9/c1-4-25(2)34(39(53)46-22-10-12-33(46)36(50)44-32(40(54)55)24-27-15-19-29(48)20-16-27)45(3)38(52)31(23-26-13-17-28(47)18-14-26)43-37(51)35(49)30(42)11-8-6-5-7-9-21-41/h13-20,25,30-35,47-49H,4-12,21-24,42H2,1-3H3,(H,43,51)(H,44,50)(H,54,55)/t25-,30-,31+,32-,33+,34-,35+/m1/s1
+CH$LINK: PUBCHEM CID:155802432
+CH$LINK: INCHIKEY XYGVUPXPWWMUAK-UYFULXBISA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 82-825
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.215 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 788.3996
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0w29-0910000000-0dd9acfbdf9af8f2eba6
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  100.1121 C6H14N+ 1 100.1121 0.17
+  136.0756 C8H10NO+ 2 136.0757 -0.85
+  146.1175 C7H16NO2+ 2 146.1176 -0.53
+  162.1041 C11H14O+ 2 162.1039 0.84
+  174.104 C12H14O+ 2 174.1039 0.41
+  192.1142 C12H16O2+ 3 192.1145 -1.25
+  194.0804 C10H12NO3+ 3 194.0812 -3.97
+  202.0987 C13H14O2+ 3 202.0988 -0.84
+  274.1432 C16H20NO3+ 4 274.1438 -1.97
+  337.1677 C18H26ClN2O2+ 3 337.1677 -0.01
+PK$NUM_PEAK: 10
+PK$PEAK: m/z int. rel.int.
+  100.1121 1037209.4 999
+  136.0756 167762.4 161
+  146.1175 186220.8 179
+  162.1041 682744.5 657
+  174.104 56612.6 54
+  192.1142 61775.4 59
+  194.0804 41816.1 40
+  202.0987 198680.4 191
+  274.1432 72608.5 69
+  337.1677 34205 32
+//
diff --git a/Eawag/MSBNK-EAWAG-ED091206.txt b/Eawag/MSBNK-EAWAG-ED091206.txt
new file mode 100644
index 0000000000..309e96d382
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED091206.txt
@@ -0,0 +1,64 @@
+ACCESSION: MSBNK-EAWAG-ED091206
+RECORD_TITLE: Microginin GH787; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [dtc], A. Miglione [dtc], L. Tartaglione [dtc], F. Varriale [dtc], C. Dell'Aversano [dtc], S.K. Zervou [dtc], T. M. Triantis [dtc], T. Kaloudis [dtc], A. Hiskia [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.chemosphere.2022.137014
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 912
+CH$NAME: Microginin GH787
+CH$NAME: N-(((2S,3R)-3-amino-10-chloro-2-hydroxydecanoyl)-L-tyrosyl)-N-methyl-D-isoleucyl-L-prolyl-D-tyrosine
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C40H58ClN5O9
+CH$EXACT_MASS: 787.3923061
+CH$SMILES: O[C@@H]([C@@H](CCCCCCCCl)N)C(N[C@@H](CC1=CC=C(C=C1)O)C(N([C@H]([C@H](C)CC)C(N2[C@@H](CCC2)C(N[C@@H](C(O)=O)CC3=CC=C(C=C3)O)=O)=O)C)=O)=O
+CH$IUPAC: InChI=1S/C40H58ClN5O9/c1-4-25(2)34(39(53)46-22-10-12-33(46)36(50)44-32(40(54)55)24-27-15-19-29(48)20-16-27)45(3)38(52)31(23-26-13-17-28(47)18-14-26)43-37(51)35(49)30(42)11-8-6-5-7-9-21-41/h13-20,25,30-35,47-49H,4-12,21-24,42H2,1-3H3,(H,43,51)(H,44,50)(H,54,55)/t25-,30-,31+,32-,33+,34-,35+/m1/s1
+CH$LINK: PUBCHEM CID:155802432
+CH$LINK: INCHIKEY XYGVUPXPWWMUAK-UYFULXBISA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 82-825
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.215 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 788.3996
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0w29-0900000000-338befcb0e4bb56a9bf6
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  100.1121 C6H14N+ 1 100.1121 0.02
+  107.0493 C7H7O+ 2 107.0491 1.57
+  126.1277 C8H16N+ 1 126.1277 -0.5
+  136.0756 C8H10NO+ 2 136.0757 -0.85
+  146.1172 C7H16NO2+ 2 146.1176 -2.62
+  162.104 C11H14O+ 2 162.1039 0.75
+  174.1038 C12H14O+ 2 174.1039 -0.9
+  192.1143 C12H16O2+ 3 192.1145 -0.93
+  194.0808 C10H12NO3+ 3 194.0812 -1.77
+  202.0985 C13H14O2+ 3 202.0988 -1.45
+  274.1437 C16H20NO3+ 4 274.1438 -0.41
+PK$NUM_PEAK: 11
+PK$PEAK: m/z int. rel.int.
+  100.1121 986593.1 999
+  107.0493 26019.4 26
+  126.1277 18952.3 19
+  136.0756 198414.9 200
+  146.1172 84981.9 86
+  162.104 713058.6 722
+  174.1038 51412.4 52
+  192.1143 25984.5 26
+  194.0808 43372.8 43
+  202.0985 131891.7 133
+  274.1437 43081.7 43
+//
diff --git a/Eawag/MSBNK-EAWAG-ED091207.txt b/Eawag/MSBNK-EAWAG-ED091207.txt
new file mode 100644
index 0000000000..886e0ccef0
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED091207.txt
@@ -0,0 +1,60 @@
+ACCESSION: MSBNK-EAWAG-ED091207
+RECORD_TITLE: Microginin GH787; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [dtc], A. Miglione [dtc], L. Tartaglione [dtc], F. Varriale [dtc], C. Dell'Aversano [dtc], S.K. Zervou [dtc], T. M. Triantis [dtc], T. Kaloudis [dtc], A. Hiskia [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.chemosphere.2022.137014
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 912
+CH$NAME: Microginin GH787
+CH$NAME: N-(((2S,3R)-3-amino-10-chloro-2-hydroxydecanoyl)-L-tyrosyl)-N-methyl-D-isoleucyl-L-prolyl-D-tyrosine
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C40H58ClN5O9
+CH$EXACT_MASS: 787.3923061
+CH$SMILES: O[C@@H]([C@@H](CCCCCCCCl)N)C(N[C@@H](CC1=CC=C(C=C1)O)C(N([C@H]([C@H](C)CC)C(N2[C@@H](CCC2)C(N[C@@H](C(O)=O)CC3=CC=C(C=C3)O)=O)=O)C)=O)=O
+CH$IUPAC: InChI=1S/C40H58ClN5O9/c1-4-25(2)34(39(53)46-22-10-12-33(46)36(50)44-32(40(54)55)24-27-15-19-29(48)20-16-27)45(3)38(52)31(23-26-13-17-28(47)18-14-26)43-37(51)35(49)30(42)11-8-6-5-7-9-21-41/h13-20,25,30-35,47-49H,4-12,21-24,42H2,1-3H3,(H,43,51)(H,44,50)(H,54,55)/t25-,30-,31+,32-,33+,34-,35+/m1/s1
+CH$LINK: PUBCHEM CID:155802432
+CH$LINK: INCHIKEY XYGVUPXPWWMUAK-UYFULXBISA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 82-825
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.215 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 788.3996
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0w29-0900000000-feea71a55639a0902f10
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  91.0545 C7H7+ 1 91.0542 3.55
+  100.1121 C6H14N+ 1 100.1121 0.09
+  107.0495 C7H7O+ 2 107.0491 2.99
+  109.1011 C8H13+ 1 109.1012 -0.7
+  119.0492 C8H7O+ 2 119.0491 0.57
+  126.1276 C8H16N+ 1 126.1277 -0.8
+  136.0756 C8H10NO+ 2 136.0757 -0.97
+  162.104 C11H14O+ 2 162.1039 0.66
+  202.0985 C13H14O2+ 3 202.0988 -1.6
+PK$NUM_PEAK: 9
+PK$PEAK: m/z int. rel.int.
+  91.0545 19353.3 25
+  100.1121 772986.8 999
+  107.0495 21182.4 27
+  109.1011 48691.6 62
+  119.0492 17719.6 22
+  126.1276 34863.4 45
+  136.0756 194354.1 251
+  162.104 516117.8 667
+  202.0985 60362.2 78
+//
diff --git a/Eawag/MSBNK-EAWAG-ED091208.txt b/Eawag/MSBNK-EAWAG-ED091208.txt
new file mode 100644
index 0000000000..f880998f9b
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED091208.txt
@@ -0,0 +1,56 @@
+ACCESSION: MSBNK-EAWAG-ED091208
+RECORD_TITLE: Microginin GH787; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [dtc], A. Miglione [dtc], L. Tartaglione [dtc], F. Varriale [dtc], C. Dell'Aversano [dtc], S.K. Zervou [dtc], T. M. Triantis [dtc], T. Kaloudis [dtc], A. Hiskia [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.chemosphere.2022.137014
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 912
+CH$NAME: Microginin GH787
+CH$NAME: N-(((2S,3R)-3-amino-10-chloro-2-hydroxydecanoyl)-L-tyrosyl)-N-methyl-D-isoleucyl-L-prolyl-D-tyrosine
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C40H58ClN5O9
+CH$EXACT_MASS: 787.3923061
+CH$SMILES: O[C@@H]([C@@H](CCCCCCCCl)N)C(N[C@@H](CC1=CC=C(C=C1)O)C(N([C@H]([C@H](C)CC)C(N2[C@@H](CCC2)C(N[C@@H](C(O)=O)CC3=CC=C(C=C3)O)=O)=O)C)=O)=O
+CH$IUPAC: InChI=1S/C40H58ClN5O9/c1-4-25(2)34(39(53)46-22-10-12-33(46)36(50)44-32(40(54)55)24-27-15-19-29(48)20-16-27)45(3)38(52)31(23-26-13-17-28(47)18-14-26)43-37(51)35(49)30(42)11-8-6-5-7-9-21-41/h13-20,25,30-35,47-49H,4-12,21-24,42H2,1-3H3,(H,43,51)(H,44,50)(H,54,55)/t25-,30-,31+,32-,33+,34-,35+/m1/s1
+CH$LINK: PUBCHEM CID:155802432
+CH$LINK: INCHIKEY XYGVUPXPWWMUAK-UYFULXBISA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 82-825
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.215 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 788.3996
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0w29-0900000000-e933cbc51a4e4544b069
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  91.0543 C7H7+ 1 91.0542 0.37
+  100.1121 C6H14N+ 1 100.1121 -0.21
+  107.0492 C7H7O+ 2 107.0491 0.28
+  109.1012 C8H13+ 1 109.1012 0.21
+  119.0492 C8H7O+ 2 119.0491 0.44
+  136.0755 C8H10NO+ 1 136.0757 -1.75
+  162.104 C11H14O+ 2 162.1039 0.37
+PK$NUM_PEAK: 7
+PK$PEAK: m/z int. rel.int.
+  91.0543 41674.6 76
+  100.1121 547303.4 999
+  107.0492 43125.9 78
+  109.1012 74511 136
+  119.0492 28357.6 51
+  136.0755 148258.7 270
+  162.104 280111.1 511
+//
diff --git a/Eawag/MSBNK-EAWAG-ED091209.txt b/Eawag/MSBNK-EAWAG-ED091209.txt
new file mode 100644
index 0000000000..41b7324ca9
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED091209.txt
@@ -0,0 +1,54 @@
+ACCESSION: MSBNK-EAWAG-ED091209
+RECORD_TITLE: Microginin GH787; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [dtc], A. Miglione [dtc], L. Tartaglione [dtc], F. Varriale [dtc], C. Dell'Aversano [dtc], S.K. Zervou [dtc], T. M. Triantis [dtc], T. Kaloudis [dtc], A. Hiskia [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.chemosphere.2022.137014
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 912
+CH$NAME: Microginin GH787
+CH$NAME: N-(((2S,3R)-3-amino-10-chloro-2-hydroxydecanoyl)-L-tyrosyl)-N-methyl-D-isoleucyl-L-prolyl-D-tyrosine
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C40H58ClN5O9
+CH$EXACT_MASS: 787.3923061
+CH$SMILES: O[C@@H]([C@@H](CCCCCCCCl)N)C(N[C@@H](CC1=CC=C(C=C1)O)C(N([C@H]([C@H](C)CC)C(N2[C@@H](CCC2)C(N[C@@H](C(O)=O)CC3=CC=C(C=C3)O)=O)=O)C)=O)=O
+CH$IUPAC: InChI=1S/C40H58ClN5O9/c1-4-25(2)34(39(53)46-22-10-12-33(46)36(50)44-32(40(54)55)24-27-15-19-29(48)20-16-27)45(3)38(52)31(23-26-13-17-28(47)18-14-26)43-37(51)35(49)30(42)11-8-6-5-7-9-21-41/h13-20,25,30-35,47-49H,4-12,21-24,42H2,1-3H3,(H,43,51)(H,44,50)(H,54,55)/t25-,30-,31+,32-,33+,34-,35+/m1/s1
+CH$LINK: PUBCHEM CID:155802432
+CH$LINK: INCHIKEY XYGVUPXPWWMUAK-UYFULXBISA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 82-825
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.215 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 788.3996
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0udi-1900000000-81a59fafd5e96d7d8a71
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  91.0542 C7H7+ 1 91.0542 -0.56
+  100.112 C6H14N+ 1 100.1121 -0.51
+  107.049 C7H7O+ 1 107.0491 -1
+  109.1014 C8H13+ 1 109.1012 1.68
+  136.0755 C8H10NO+ 2 136.0757 -1.19
+  162.1037 C11H14O+ 2 162.1039 -1.13
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  91.0542 77436.1 206
+  100.112 373793.2 999
+  107.049 37751.4 100
+  109.1014 42110.3 112
+  136.0755 110497.6 295
+  162.1037 112362.6 300
+//
diff --git a/Eawag/MSBNK-EAWAG-ED091251.txt b/Eawag/MSBNK-EAWAG-ED091251.txt
new file mode 100644
index 0000000000..d6fead6747
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED091251.txt
@@ -0,0 +1,46 @@
+ACCESSION: MSBNK-EAWAG-ED091251
+RECORD_TITLE: Microginin GH787; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [dtc], A. Miglione [dtc], L. Tartaglione [dtc], F. Varriale [dtc], C. Dell'Aversano [dtc], S.K. Zervou [dtc], T. M. Triantis [dtc], T. Kaloudis [dtc], A. Hiskia [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.chemosphere.2022.137014
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 912
+CH$NAME: Microginin GH787
+CH$NAME: N-(((2S,3R)-3-amino-10-chloro-2-hydroxydecanoyl)-L-tyrosyl)-N-methyl-D-isoleucyl-L-prolyl-D-tyrosine
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C40H58ClN5O9
+CH$EXACT_MASS: 787.3923061
+CH$SMILES: O[C@@H]([C@@H](CCCCCCCCl)N)C(N[C@@H](CC1=CC=C(C=C1)O)C(N([C@H]([C@H](C)CC)C(N2[C@@H](CCC2)C(N[C@@H](C(O)=O)CC3=CC=C(C=C3)O)=O)=O)C)=O)=O
+CH$IUPAC: InChI=1S/C40H58ClN5O9/c1-4-25(2)34(39(53)46-22-10-12-33(46)36(50)44-32(40(54)55)24-27-15-19-29(48)20-16-27)45(3)38(52)31(23-26-13-17-28(47)18-14-26)43-37(51)35(49)30(42)11-8-6-5-7-9-21-41/h13-20,25,30-35,47-49H,4-12,21-24,42H2,1-3H3,(H,43,51)(H,44,50)(H,54,55)/t25-,30-,31+,32-,33+,34-,35+/m1/s1
+CH$LINK: PUBCHEM CID:155802432
+CH$LINK: INCHIKEY XYGVUPXPWWMUAK-UYFULXBISA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 82-823
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.200 min
+MS$FOCUSED_ION: BASE_PEAK 146.9382
+MS$FOCUSED_ION: PRECURSOR_M/Z 786.385
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-000i-0000000900-bf9a797ffbac96c8a1d7
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  750.4085 C40H56N5O9- 1 750.4084 0.25
+  786.3852 C40H57ClN5O9- 1 786.385 0.21
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  750.4085 61847.7 26
+  786.3852 2329251 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED091252.txt b/Eawag/MSBNK-EAWAG-ED091252.txt
new file mode 100644
index 0000000000..4940369812
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED091252.txt
@@ -0,0 +1,46 @@
+ACCESSION: MSBNK-EAWAG-ED091252
+RECORD_TITLE: Microginin GH787; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [dtc], A. Miglione [dtc], L. Tartaglione [dtc], F. Varriale [dtc], C. Dell'Aversano [dtc], S.K. Zervou [dtc], T. M. Triantis [dtc], T. Kaloudis [dtc], A. Hiskia [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.chemosphere.2022.137014
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 912
+CH$NAME: Microginin GH787
+CH$NAME: N-(((2S,3R)-3-amino-10-chloro-2-hydroxydecanoyl)-L-tyrosyl)-N-methyl-D-isoleucyl-L-prolyl-D-tyrosine
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C40H58ClN5O9
+CH$EXACT_MASS: 787.3923061
+CH$SMILES: O[C@@H]([C@@H](CCCCCCCCl)N)C(N[C@@H](CC1=CC=C(C=C1)O)C(N([C@H]([C@H](C)CC)C(N2[C@@H](CCC2)C(N[C@@H](C(O)=O)CC3=CC=C(C=C3)O)=O)=O)C)=O)=O
+CH$IUPAC: InChI=1S/C40H58ClN5O9/c1-4-25(2)34(39(53)46-22-10-12-33(46)36(50)44-32(40(54)55)24-27-15-19-29(48)20-16-27)45(3)38(52)31(23-26-13-17-28(47)18-14-26)43-37(51)35(49)30(42)11-8-6-5-7-9-21-41/h13-20,25,30-35,47-49H,4-12,21-24,42H2,1-3H3,(H,43,51)(H,44,50)(H,54,55)/t25-,30-,31+,32-,33+,34-,35+/m1/s1
+CH$LINK: PUBCHEM CID:155802432
+CH$LINK: INCHIKEY XYGVUPXPWWMUAK-UYFULXBISA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 82-823
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.200 min
+MS$FOCUSED_ION: BASE_PEAK 146.9382
+MS$FOCUSED_ION: PRECURSOR_M/Z 786.385
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-000i-0000000900-a07ca2a20a61b9f5be3f
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  750.4071 C40H56N5O9- 1 750.4084 -1.62
+  786.3848 C40H57ClN5O9- 1 786.385 -0.25
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  750.4071 177671 98
+  786.3848 1805429.6 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED091253.txt b/Eawag/MSBNK-EAWAG-ED091253.txt
new file mode 100644
index 0000000000..6f5ac8da88
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED091253.txt
@@ -0,0 +1,50 @@
+ACCESSION: MSBNK-EAWAG-ED091253
+RECORD_TITLE: Microginin GH787; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [dtc], A. Miglione [dtc], L. Tartaglione [dtc], F. Varriale [dtc], C. Dell'Aversano [dtc], S.K. Zervou [dtc], T. M. Triantis [dtc], T. Kaloudis [dtc], A. Hiskia [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.chemosphere.2022.137014
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 912
+CH$NAME: Microginin GH787
+CH$NAME: N-(((2S,3R)-3-amino-10-chloro-2-hydroxydecanoyl)-L-tyrosyl)-N-methyl-D-isoleucyl-L-prolyl-D-tyrosine
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C40H58ClN5O9
+CH$EXACT_MASS: 787.3923061
+CH$SMILES: O[C@@H]([C@@H](CCCCCCCCl)N)C(N[C@@H](CC1=CC=C(C=C1)O)C(N([C@H]([C@H](C)CC)C(N2[C@@H](CCC2)C(N[C@@H](C(O)=O)CC3=CC=C(C=C3)O)=O)=O)C)=O)=O
+CH$IUPAC: InChI=1S/C40H58ClN5O9/c1-4-25(2)34(39(53)46-22-10-12-33(46)36(50)44-32(40(54)55)24-27-15-19-29(48)20-16-27)45(3)38(52)31(23-26-13-17-28(47)18-14-26)43-37(51)35(49)30(42)11-8-6-5-7-9-21-41/h13-20,25,30-35,47-49H,4-12,21-24,42H2,1-3H3,(H,43,51)(H,44,50)(H,54,55)/t25-,30-,31+,32-,33+,34-,35+/m1/s1
+CH$LINK: PUBCHEM CID:155802432
+CH$LINK: INCHIKEY XYGVUPXPWWMUAK-UYFULXBISA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 82-823
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.200 min
+MS$FOCUSED_ION: BASE_PEAK 146.9382
+MS$FOCUSED_ION: PRECURSOR_M/Z 786.385
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-000i-0000000900-23631f6a0c9f16760cd2
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  277.1186 C12H15N5O3- 3 277.118 1.95
+  644.3666 C33H50N5O8- 4 644.3665 0.19
+  750.407 C40H56N5O9- 1 750.4084 -1.87
+  786.385 C40H57ClN5O9- 1 786.385 -0.1
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  277.1186 115163.7 92
+  644.3666 143327.2 114
+  750.407 275279.9 219
+  786.385 1250523.2 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED091254.txt b/Eawag/MSBNK-EAWAG-ED091254.txt
new file mode 100644
index 0000000000..eaf65d0f14
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED091254.txt
@@ -0,0 +1,54 @@
+ACCESSION: MSBNK-EAWAG-ED091254
+RECORD_TITLE: Microginin GH787; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [dtc], A. Miglione [dtc], L. Tartaglione [dtc], F. Varriale [dtc], C. Dell'Aversano [dtc], S.K. Zervou [dtc], T. M. Triantis [dtc], T. Kaloudis [dtc], A. Hiskia [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.chemosphere.2022.137014
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 912
+CH$NAME: Microginin GH787
+CH$NAME: N-(((2S,3R)-3-amino-10-chloro-2-hydroxydecanoyl)-L-tyrosyl)-N-methyl-D-isoleucyl-L-prolyl-D-tyrosine
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C40H58ClN5O9
+CH$EXACT_MASS: 787.3923061
+CH$SMILES: O[C@@H]([C@@H](CCCCCCCCl)N)C(N[C@@H](CC1=CC=C(C=C1)O)C(N([C@H]([C@H](C)CC)C(N2[C@@H](CCC2)C(N[C@@H](C(O)=O)CC3=CC=C(C=C3)O)=O)=O)C)=O)=O
+CH$IUPAC: InChI=1S/C40H58ClN5O9/c1-4-25(2)34(39(53)46-22-10-12-33(46)36(50)44-32(40(54)55)24-27-15-19-29(48)20-16-27)45(3)38(52)31(23-26-13-17-28(47)18-14-26)43-37(51)35(49)30(42)11-8-6-5-7-9-21-41/h13-20,25,30-35,47-49H,4-12,21-24,42H2,1-3H3,(H,43,51)(H,44,50)(H,54,55)/t25-,30-,31+,32-,33+,34-,35+/m1/s1
+CH$LINK: PUBCHEM CID:155802432
+CH$LINK: INCHIKEY XYGVUPXPWWMUAK-UYFULXBISA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 82-823
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.200 min
+MS$FOCUSED_ION: BASE_PEAK 146.9382
+MS$FOCUSED_ION: PRECURSOR_M/Z 786.385
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0f9i-0040112900-51f385f444c2656ce739
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  277.1186 C12H15N5O3- 3 277.118 2.17
+  402.216 C22H30N2O5- 4 402.216 0.05
+  538.3249 C25H49ClN3O7- 7 538.3265 -2.95
+  644.3667 C33H50N5O8- 4 644.3665 0.28
+  750.4074 C40H56N5O9- 1 750.4084 -1.22
+  786.3851 C40H57ClN5O9- 1 786.385 0.06
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  277.1186 254905.8 747
+  402.216 66851.1 196
+  538.3249 90841.1 266
+  644.3667 162871.4 477
+  750.4074 160387.7 470
+  786.3851 340498.8 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED091255.txt b/Eawag/MSBNK-EAWAG-ED091255.txt
new file mode 100644
index 0000000000..c10518af12
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED091255.txt
@@ -0,0 +1,58 @@
+ACCESSION: MSBNK-EAWAG-ED091255
+RECORD_TITLE: Microginin GH787; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [dtc], A. Miglione [dtc], L. Tartaglione [dtc], F. Varriale [dtc], C. Dell'Aversano [dtc], S.K. Zervou [dtc], T. M. Triantis [dtc], T. Kaloudis [dtc], A. Hiskia [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.chemosphere.2022.137014
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 912
+CH$NAME: Microginin GH787
+CH$NAME: N-(((2S,3R)-3-amino-10-chloro-2-hydroxydecanoyl)-L-tyrosyl)-N-methyl-D-isoleucyl-L-prolyl-D-tyrosine
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C40H58ClN5O9
+CH$EXACT_MASS: 787.3923061
+CH$SMILES: O[C@@H]([C@@H](CCCCCCCCl)N)C(N[C@@H](CC1=CC=C(C=C1)O)C(N([C@H]([C@H](C)CC)C(N2[C@@H](CCC2)C(N[C@@H](C(O)=O)CC3=CC=C(C=C3)O)=O)=O)C)=O)=O
+CH$IUPAC: InChI=1S/C40H58ClN5O9/c1-4-25(2)34(39(53)46-22-10-12-33(46)36(50)44-32(40(54)55)24-27-15-19-29(48)20-16-27)45(3)38(52)31(23-26-13-17-28(47)18-14-26)43-37(51)35(49)30(42)11-8-6-5-7-9-21-41/h13-20,25,30-35,47-49H,4-12,21-24,42H2,1-3H3,(H,43,51)(H,44,50)(H,54,55)/t25-,30-,31+,32-,33+,34-,35+/m1/s1
+CH$LINK: PUBCHEM CID:155802432
+CH$LINK: INCHIKEY XYGVUPXPWWMUAK-UYFULXBISA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 82-823
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.200 min
+MS$FOCUSED_ION: BASE_PEAK 146.9382
+MS$FOCUSED_ION: PRECURSOR_M/Z 786.385
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0059-0490100000-5407899ff67ca38b4b4a
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  113.072 C5H9N2O- 2 113.072 0.07
+  119.0502 C8H7O- 2 119.0502 -0.44
+  163.0397 C9H7O3- 2 163.0401 -2.5
+  180.0658 C4H11ClN5O- 3 180.0658 0.34
+  183.1132 C7H13N5O- 2 183.1126 3.43
+  233.129 C13H17N2O2- 3 233.1296 -2.4
+  277.1186 C12H15N5O3- 3 277.118 2.06
+  402.216 C22H30N2O5- 4 402.216 -0.11
+PK$NUM_PEAK: 8
+PK$PEAK: m/z int. rel.int.
+  113.072 62360.2 191
+  119.0502 22531.4 69
+  163.0397 18434.8 56
+  180.0658 27863.5 85
+  183.1132 113176.1 347
+  233.129 130740.5 401
+  277.1186 325705.6 999
+  402.216 70254.3 215
+//
diff --git a/Eawag/MSBNK-EAWAG-ED091256.txt b/Eawag/MSBNK-EAWAG-ED091256.txt
new file mode 100644
index 0000000000..cb288e0d62
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED091256.txt
@@ -0,0 +1,54 @@
+ACCESSION: MSBNK-EAWAG-ED091256
+RECORD_TITLE: Microginin GH787; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [dtc], A. Miglione [dtc], L. Tartaglione [dtc], F. Varriale [dtc], C. Dell'Aversano [dtc], S.K. Zervou [dtc], T. M. Triantis [dtc], T. Kaloudis [dtc], A. Hiskia [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.chemosphere.2022.137014
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 912
+CH$NAME: Microginin GH787
+CH$NAME: N-(((2S,3R)-3-amino-10-chloro-2-hydroxydecanoyl)-L-tyrosyl)-N-methyl-D-isoleucyl-L-prolyl-D-tyrosine
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C40H58ClN5O9
+CH$EXACT_MASS: 787.3923061
+CH$SMILES: O[C@@H]([C@@H](CCCCCCCCl)N)C(N[C@@H](CC1=CC=C(C=C1)O)C(N([C@H]([C@H](C)CC)C(N2[C@@H](CCC2)C(N[C@@H](C(O)=O)CC3=CC=C(C=C3)O)=O)=O)C)=O)=O
+CH$IUPAC: InChI=1S/C40H58ClN5O9/c1-4-25(2)34(39(53)46-22-10-12-33(46)36(50)44-32(40(54)55)24-27-15-19-29(48)20-16-27)45(3)38(52)31(23-26-13-17-28(47)18-14-26)43-37(51)35(49)30(42)11-8-6-5-7-9-21-41/h13-20,25,30-35,47-49H,4-12,21-24,42H2,1-3H3,(H,43,51)(H,44,50)(H,54,55)/t25-,30-,31+,32-,33+,34-,35+/m1/s1
+CH$LINK: PUBCHEM CID:155802432
+CH$LINK: INCHIKEY XYGVUPXPWWMUAK-UYFULXBISA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 82-823
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.200 min
+MS$FOCUSED_ION: BASE_PEAK 146.9382
+MS$FOCUSED_ION: PRECURSOR_M/Z 786.385
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-01q9-0910000000-e13eb2b5c852e5d641ce
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  113.0719 C5H9N2O- 1 113.072 -1.62
+  119.0499 C8H7O- 1 119.0502 -2.43
+  171.0769 C7H11N2O3- 2 171.0775 -3.43
+  180.0659 C4H11ClN5O- 3 180.0658 0.93
+  183.1129 C7H13N5O- 1 183.1126 2.09
+  277.1181 C12H15N5O3- 4 277.118 0.07
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  113.0719 158300.2 999
+  119.0499 42072.8 265
+  171.0769 52822.5 333
+  180.0659 26944.9 170
+  183.1129 142853 901
+  277.1181 81238.5 512
+//
diff --git a/Eawag/MSBNK-EAWAG-ED091257.txt b/Eawag/MSBNK-EAWAG-ED091257.txt
new file mode 100644
index 0000000000..ba6eeda79c
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED091257.txt
@@ -0,0 +1,50 @@
+ACCESSION: MSBNK-EAWAG-ED091257
+RECORD_TITLE: Microginin GH787; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [dtc], A. Miglione [dtc], L. Tartaglione [dtc], F. Varriale [dtc], C. Dell'Aversano [dtc], S.K. Zervou [dtc], T. M. Triantis [dtc], T. Kaloudis [dtc], A. Hiskia [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.chemosphere.2022.137014
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 912
+CH$NAME: Microginin GH787
+CH$NAME: N-(((2S,3R)-3-amino-10-chloro-2-hydroxydecanoyl)-L-tyrosyl)-N-methyl-D-isoleucyl-L-prolyl-D-tyrosine
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C40H58ClN5O9
+CH$EXACT_MASS: 787.3923061
+CH$SMILES: O[C@@H]([C@@H](CCCCCCCCl)N)C(N[C@@H](CC1=CC=C(C=C1)O)C(N([C@H]([C@H](C)CC)C(N2[C@@H](CCC2)C(N[C@@H](C(O)=O)CC3=CC=C(C=C3)O)=O)=O)C)=O)=O
+CH$IUPAC: InChI=1S/C40H58ClN5O9/c1-4-25(2)34(39(53)46-22-10-12-33(46)36(50)44-32(40(54)55)24-27-15-19-29(48)20-16-27)45(3)38(52)31(23-26-13-17-28(47)18-14-26)43-37(51)35(49)30(42)11-8-6-5-7-9-21-41/h13-20,25,30-35,47-49H,4-12,21-24,42H2,1-3H3,(H,43,51)(H,44,50)(H,54,55)/t25-,30-,31+,32-,33+,34-,35+/m1/s1
+CH$LINK: PUBCHEM CID:155802432
+CH$LINK: INCHIKEY XYGVUPXPWWMUAK-UYFULXBISA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 82-823
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.200 min
+MS$FOCUSED_ION: BASE_PEAK 146.9382
+MS$FOCUSED_ION: PRECURSOR_M/Z 786.385
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03e9-0900000000-94491850318043746af3
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  113.0719 C5H9N2O- 1 113.072 -1.55
+  119.0498 C8H7O- 1 119.0502 -3.46
+  171.0773 C7H11N2O3- 2 171.0775 -1.2
+  183.1131 C7H13N5O- 2 183.1126 2.84
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  113.0719 180932.3 999
+  119.0498 56891.5 314
+  171.0773 17768 98
+  183.1131 109967.4 607
+//
diff --git a/Eawag/MSBNK-EAWAG-ED091258.txt b/Eawag/MSBNK-EAWAG-ED091258.txt
new file mode 100644
index 0000000000..8c89d90c9a
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED091258.txt
@@ -0,0 +1,48 @@
+ACCESSION: MSBNK-EAWAG-ED091258
+RECORD_TITLE: Microginin GH787; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [dtc], A. Miglione [dtc], L. Tartaglione [dtc], F. Varriale [dtc], C. Dell'Aversano [dtc], S.K. Zervou [dtc], T. M. Triantis [dtc], T. Kaloudis [dtc], A. Hiskia [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.chemosphere.2022.137014
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 912
+CH$NAME: Microginin GH787
+CH$NAME: N-(((2S,3R)-3-amino-10-chloro-2-hydroxydecanoyl)-L-tyrosyl)-N-methyl-D-isoleucyl-L-prolyl-D-tyrosine
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C40H58ClN5O9
+CH$EXACT_MASS: 787.3923061
+CH$SMILES: O[C@@H]([C@@H](CCCCCCCCl)N)C(N[C@@H](CC1=CC=C(C=C1)O)C(N([C@H]([C@H](C)CC)C(N2[C@@H](CCC2)C(N[C@@H](C(O)=O)CC3=CC=C(C=C3)O)=O)=O)C)=O)=O
+CH$IUPAC: InChI=1S/C40H58ClN5O9/c1-4-25(2)34(39(53)46-22-10-12-33(46)36(50)44-32(40(54)55)24-27-15-19-29(48)20-16-27)45(3)38(52)31(23-26-13-17-28(47)18-14-26)43-37(51)35(49)30(42)11-8-6-5-7-9-21-41/h13-20,25,30-35,47-49H,4-12,21-24,42H2,1-3H3,(H,43,51)(H,44,50)(H,54,55)/t25-,30-,31+,32-,33+,34-,35+/m1/s1
+CH$LINK: PUBCHEM CID:155802432
+CH$LINK: INCHIKEY XYGVUPXPWWMUAK-UYFULXBISA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 82-823
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.200 min
+MS$FOCUSED_ION: BASE_PEAK 146.9382
+MS$FOCUSED_ION: PRECURSOR_M/Z 786.385
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03di-0900000000-7c699ae22259071260c8
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  113.0718 C5H9N2O- 1 113.072 -2.16
+  119.0502 C8H7O- 2 119.0502 -0.7
+  183.1132 C9H15N2O2- 2 183.1139 -3.57
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  113.0718 141453.2 999
+  119.0502 60099.3 424
+  183.1132 59627.1 421
+//
diff --git a/Eawag/MSBNK-EAWAG-ED092301.txt b/Eawag/MSBNK-EAWAG-ED092301.txt
new file mode 100644
index 0000000000..b23b4aef2c
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED092301.txt
@@ -0,0 +1,49 @@
+ACCESSION: MSBNK-EAWAG-ED092301
+RECORD_TITLE: Nostocyclopeptide A2; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1021/np000316k
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 923
+CH$NAME: Nostocyclopeptide A2
+CH$NAME: 3-[(3S,6S,9R,15S,18S,21S,23S)-18-benzyl-6-[(2S)-butan-2-yl]-3-(hydroxymethyl)-15-[(4-hydroxyphenyl)methyl]-23-methyl-2,5,8,11,14,20-hexaoxo-1,4,7,10,13,16,19-heptazabicyclo[19.3.0]tetracos-16-en-9-yl]propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C40H54N8O9
+CH$EXACT_MASS: 790.4013753
+CH$SMILES: CC[C@@H]([C@H]1C(N[C@@H](CO)C(N2C[C@@H](C)C[C@H]2C(N[C@@H](CC3=CC=CC=C3)/C=N\[C@@H](CC4=CC=C(O)C=C4)C(NCC(N[C@H](CCC(N)=O)C(N1)=O)=O)=O)=O)=O)=O)C
+CH$IUPAC: InChI=1S/C40H54N8O9/c1-4-24(3)35-39(56)46-31(22-49)40(57)48-21-23(2)16-32(48)38(55)44-27(17-25-8-6-5-7-9-25)19-42-30(18-26-10-12-28(50)13-11-26)36(53)43-20-34(52)45-29(37(54)47-35)14-15-33(41)51/h5-13,19,23-24,27,29-32,35,49-50H,4,14-18,20-22H2,1-3H3,(H2,41,51)(H,43,53)(H,44,55)(H,45,52)(H,46,56)(H,47,54)/b42-19-/t23-,24-,27-,29+,30-,31-,32-,35-/m0/s1
+CH$LINK: CHEBI 80054
+CH$LINK: PUBCHEM CID:10509499
+CH$LINK: INCHIKEY OYHPNVXZUBWKJE-NDJHOONXSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 82-828
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.933 min
+MS$FOCUSED_ION: BASE_PEAK 791.4081
+MS$FOCUSED_ION: PRECURSOR_M/Z 791.4087
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0006-0000000900-ed70080ae550e87a1506
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  243.1492 C15H19N2O+ 2 243.1492 0.24
+  773.4001 C40H53N8O8+ 1 773.3981 2.64
+  791.4081 C40H55N8O9+ 1 791.4087 -0.73
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  243.1492 15474231 47
+  773.4001 3653120.5 11
+  791.4081 323850432 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED092302.txt b/Eawag/MSBNK-EAWAG-ED092302.txt
new file mode 100644
index 0000000000..725ea61cb1
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED092302.txt
@@ -0,0 +1,57 @@
+ACCESSION: MSBNK-EAWAG-ED092302
+RECORD_TITLE: Nostocyclopeptide A2; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1021/np000316k
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 923
+CH$NAME: Nostocyclopeptide A2
+CH$NAME: 3-[(3S,6S,9R,15S,18S,21S,23S)-18-benzyl-6-[(2S)-butan-2-yl]-3-(hydroxymethyl)-15-[(4-hydroxyphenyl)methyl]-23-methyl-2,5,8,11,14,20-hexaoxo-1,4,7,10,13,16,19-heptazabicyclo[19.3.0]tetracos-16-en-9-yl]propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C40H54N8O9
+CH$EXACT_MASS: 790.4013753
+CH$SMILES: CC[C@@H]([C@H]1C(N[C@@H](CO)C(N2C[C@@H](C)C[C@H]2C(N[C@@H](CC3=CC=CC=C3)/C=N\[C@@H](CC4=CC=C(O)C=C4)C(NCC(N[C@H](CCC(N)=O)C(N1)=O)=O)=O)=O)=O)=O)C
+CH$IUPAC: InChI=1S/C40H54N8O9/c1-4-24(3)35-39(56)46-31(22-49)40(57)48-21-23(2)16-32(48)38(55)44-27(17-25-8-6-5-7-9-25)19-42-30(18-26-10-12-28(50)13-11-26)36(53)43-20-34(52)45-29(37(54)47-35)14-15-33(41)51/h5-13,19,23-24,27,29-32,35,49-50H,4,14-18,20-22H2,1-3H3,(H2,41,51)(H,43,53)(H,44,55)(H,45,52)(H,46,56)(H,47,54)/b42-19-/t23-,24-,27-,29+,30-,31-,32-,35-/m0/s1
+CH$LINK: CHEBI 80054
+CH$LINK: PUBCHEM CID:10509499
+CH$LINK: INCHIKEY OYHPNVXZUBWKJE-NDJHOONXSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 82-828
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.933 min
+MS$FOCUSED_ION: BASE_PEAK 791.4081
+MS$FOCUSED_ION: PRECURSOR_M/Z 791.4087
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0006-0030000900-90ff01c7588e0b1d0cd7
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  215.154 C14H19N2+ 2 215.1543 -1.4
+  243.1492 C15H19N2O+ 2 243.1492 0.05
+  549.2666 C25H37N6O8+ 4 549.2667 -0.21
+  763.4118 C39H55N8O8+ 1 763.4137 -2.56
+  773.3977 C40H53N8O8+ 1 773.3981 -0.44
+  774.3816 C40H52N7O9+ 1 774.3821 -0.6
+  791.4083 C40H55N8O9+ 1 791.4087 -0.5
+PK$NUM_PEAK: 7
+PK$PEAK: m/z int. rel.int.
+  215.154 2947212 14
+  243.1492 97586088 481
+  549.2666 3707834.2 18
+  763.4118 2422325.2 11
+  773.3977 13973201 68
+  774.3816 11372401 56
+  791.4083 202597904 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED092303.txt b/Eawag/MSBNK-EAWAG-ED092303.txt
new file mode 100644
index 0000000000..64a8b6ddbd
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED092303.txt
@@ -0,0 +1,65 @@
+ACCESSION: MSBNK-EAWAG-ED092303
+RECORD_TITLE: Nostocyclopeptide A2; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1021/np000316k
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 923
+CH$NAME: Nostocyclopeptide A2
+CH$NAME: 3-[(3S,6S,9R,15S,18S,21S,23S)-18-benzyl-6-[(2S)-butan-2-yl]-3-(hydroxymethyl)-15-[(4-hydroxyphenyl)methyl]-23-methyl-2,5,8,11,14,20-hexaoxo-1,4,7,10,13,16,19-heptazabicyclo[19.3.0]tetracos-16-en-9-yl]propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C40H54N8O9
+CH$EXACT_MASS: 790.4013753
+CH$SMILES: CC[C@@H]([C@H]1C(N[C@@H](CO)C(N2C[C@@H](C)C[C@H]2C(N[C@@H](CC3=CC=CC=C3)/C=N\[C@@H](CC4=CC=C(O)C=C4)C(NCC(N[C@H](CCC(N)=O)C(N1)=O)=O)=O)=O)=O)=O)C
+CH$IUPAC: InChI=1S/C40H54N8O9/c1-4-24(3)35-39(56)46-31(22-49)40(57)48-21-23(2)16-32(48)38(55)44-27(17-25-8-6-5-7-9-25)19-42-30(18-26-10-12-28(50)13-11-26)36(53)43-20-34(52)45-29(37(54)47-35)14-15-33(41)51/h5-13,19,23-24,27,29-32,35,49-50H,4,14-18,20-22H2,1-3H3,(H2,41,51)(H,43,53)(H,44,55)(H,45,52)(H,46,56)(H,47,54)/b42-19-/t23-,24-,27-,29+,30-,31-,32-,35-/m0/s1
+CH$LINK: CHEBI 80054
+CH$LINK: PUBCHEM CID:10509499
+CH$LINK: INCHIKEY OYHPNVXZUBWKJE-NDJHOONXSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 82-828
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.933 min
+MS$FOCUSED_ION: BASE_PEAK 791.4081
+MS$FOCUSED_ION: PRECURSOR_M/Z 791.4087
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0006-0090000400-d624409450d5b1a9ac0a
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  215.1543 C14H19N2+ 2 215.1543 -0.05
+  243.1492 C15H19N2O+ 2 243.1492 -0.02
+  312.1672 C15H24N2O5+ 2 312.168 -2.52
+  335.1388 C20H19N2O3+ 3 335.139 -0.65
+  349.1509 C16H21N4O5+ 5 349.1506 0.59
+  549.2668 C25H37N6O8+ 5 549.2667 0.13
+  756.3727 C40H50N7O8+ 1 756.3715 1.56
+  763.415 C39H55N8O8+ 1 763.4137 1.6
+  773.3985 C40H53N8O8+ 1 773.3981 0.51
+  774.3814 C40H52N7O9+ 1 774.3821 -0.92
+  791.4084 C40H55N8O9+ 1 791.4087 -0.35
+PK$NUM_PEAK: 11
+PK$PEAK: m/z int. rel.int.
+  215.1543 16808706 112
+  243.1492 149506480 999
+  312.1672 1617014 10
+  335.1388 5147447 34
+  349.1509 2558891.2 17
+  549.2668 1605825.1 10
+  756.3727 2496211 16
+  763.415 3559815.8 23
+  773.3985 13472289 90
+  774.3814 8376843 55
+  791.4084 46911244 313
+//
diff --git a/Eawag/MSBNK-EAWAG-ED092304.txt b/Eawag/MSBNK-EAWAG-ED092304.txt
new file mode 100644
index 0000000000..fe23d229b9
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED092304.txt
@@ -0,0 +1,63 @@
+ACCESSION: MSBNK-EAWAG-ED092304
+RECORD_TITLE: Nostocyclopeptide A2; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1021/np000316k
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 923
+CH$NAME: Nostocyclopeptide A2
+CH$NAME: 3-[(3S,6S,9R,15S,18S,21S,23S)-18-benzyl-6-[(2S)-butan-2-yl]-3-(hydroxymethyl)-15-[(4-hydroxyphenyl)methyl]-23-methyl-2,5,8,11,14,20-hexaoxo-1,4,7,10,13,16,19-heptazabicyclo[19.3.0]tetracos-16-en-9-yl]propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C40H54N8O9
+CH$EXACT_MASS: 790.4013753
+CH$SMILES: CC[C@@H]([C@H]1C(N[C@@H](CO)C(N2C[C@@H](C)C[C@H]2C(N[C@@H](CC3=CC=CC=C3)/C=N\[C@@H](CC4=CC=C(O)C=C4)C(NCC(N[C@H](CCC(N)=O)C(N1)=O)=O)=O)=O)=O)=O)C
+CH$IUPAC: InChI=1S/C40H54N8O9/c1-4-24(3)35-39(56)46-31(22-49)40(57)48-21-23(2)16-32(48)38(55)44-27(17-25-8-6-5-7-9-25)19-42-30(18-26-10-12-28(50)13-11-26)36(53)43-20-34(52)45-29(37(54)47-35)14-15-33(41)51/h5-13,19,23-24,27,29-32,35,49-50H,4,14-18,20-22H2,1-3H3,(H2,41,51)(H,43,53)(H,44,55)(H,45,52)(H,46,56)(H,47,54)/b42-19-/t23-,24-,27-,29+,30-,31-,32-,35-/m0/s1
+CH$LINK: CHEBI 80054
+CH$LINK: PUBCHEM CID:10509499
+CH$LINK: INCHIKEY OYHPNVXZUBWKJE-NDJHOONXSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 82-828
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.933 min
+MS$FOCUSED_ION: BASE_PEAK 791.4081
+MS$FOCUSED_ION: PRECURSOR_M/Z 791.4087
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0006-0090000000-781484dc0c14ecab8ca7
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  84.0809 C5H10N+ 1 84.0808 1.39
+  101.0709 C4H9N2O+ 1 101.0709 0.09
+  215.1544 C14H19N2+ 2 215.1543 0.38
+  243.1493 C15H19N2O+ 2 243.1492 0.55
+  267.1479 C17H19N2O+ 2 267.1492 -4.68
+  307.1447 C5H21N7O8+ 3 307.1446 0.38
+  335.139 C20H19N2O3+ 3 335.139 -0.11
+  349.1508 C16H21N4O5+ 5 349.1506 0.33
+  773.399 C40H53N8O8+ 1 773.3981 1.14
+  791.408 C40H55N8O9+ 1 791.4087 -0.81
+PK$NUM_PEAK: 10
+PK$PEAK: m/z int. rel.int.
+  84.0809 2172715 15
+  101.0709 1811566.8 13
+  215.1544 50880744 369
+  243.1493 137498960 999
+  267.1479 1435539.9 10
+  307.1447 2552524.5 18
+  335.139 10452757 75
+  349.1508 2576506.2 18
+  773.399 6142690 44
+  791.408 5119075 37
+//
diff --git a/Eawag/MSBNK-EAWAG-ED092305.txt b/Eawag/MSBNK-EAWAG-ED092305.txt
new file mode 100644
index 0000000000..0f20f025ec
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED092305.txt
@@ -0,0 +1,87 @@
+ACCESSION: MSBNK-EAWAG-ED092305
+RECORD_TITLE: Nostocyclopeptide A2; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1021/np000316k
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 923
+CH$NAME: Nostocyclopeptide A2
+CH$NAME: 3-[(3S,6S,9R,15S,18S,21S,23S)-18-benzyl-6-[(2S)-butan-2-yl]-3-(hydroxymethyl)-15-[(4-hydroxyphenyl)methyl]-23-methyl-2,5,8,11,14,20-hexaoxo-1,4,7,10,13,16,19-heptazabicyclo[19.3.0]tetracos-16-en-9-yl]propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C40H54N8O9
+CH$EXACT_MASS: 790.4013753
+CH$SMILES: CC[C@@H]([C@H]1C(N[C@@H](CO)C(N2C[C@@H](C)C[C@H]2C(N[C@@H](CC3=CC=CC=C3)/C=N\[C@@H](CC4=CC=C(O)C=C4)C(NCC(N[C@H](CCC(N)=O)C(N1)=O)=O)=O)=O)=O)=O)C
+CH$IUPAC: InChI=1S/C40H54N8O9/c1-4-24(3)35-39(56)46-31(22-49)40(57)48-21-23(2)16-32(48)38(55)44-27(17-25-8-6-5-7-9-25)19-42-30(18-26-10-12-28(50)13-11-26)36(53)43-20-34(52)45-29(37(54)47-35)14-15-33(41)51/h5-13,19,23-24,27,29-32,35,49-50H,4,14-18,20-22H2,1-3H3,(H2,41,51)(H,43,53)(H,44,55)(H,45,52)(H,46,56)(H,47,54)/b42-19-/t23-,24-,27-,29+,30-,31-,32-,35-/m0/s1
+CH$LINK: CHEBI 80054
+CH$LINK: PUBCHEM CID:10509499
+CH$LINK: INCHIKEY OYHPNVXZUBWKJE-NDJHOONXSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 82-828
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.933 min
+MS$FOCUSED_ION: BASE_PEAK 791.4081
+MS$FOCUSED_ION: PRECURSOR_M/Z 791.4087
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-014i-0191000000-bafaf82cf728b1569fdc
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  84.0442 C4H6NO+ 1 84.0444 -1.69
+  84.0808 C5H10N+ 1 84.0808 -0.15
+  86.0964 C5H12N+ 1 86.0964 -0.12
+  101.0709 C4H9N2O+ 1 101.0709 -0.29
+  124.0994 C7H12N2+ 1 124.0995 -0.47
+  132.0807 C9H10N+ 1 132.0808 -0.56
+  136.0759 C8H10NO+ 1 136.0757 1.49
+  152.0942 C8H12N2O+ 1 152.0944 -1.31
+  171.1127 C8H15N2O2+ 1 171.1128 -0.46
+  186.0874 C7H12N3O3+ 1 186.0873 0.56
+  198.1274 C14H16N+ 2 198.1277 -1.41
+  215.1542 C14H19N2+ 2 215.1543 -0.33
+  243.1492 C15H19N2O+ 2 243.1492 0.11
+  250.1221 C17H16NO+ 3 250.1226 -2.14
+  267.1489 C17H19N2O+ 3 267.1492 -1.02
+  279.1491 C18H19N2O+ 3 279.1492 -0.31
+  307.1442 C19H19N2O2+ 3 307.1441 0.35
+  312.1693 C15H24N2O5+ 3 312.168 4.32
+  334.1564 C22H22O3+ 4 334.1563 0.28
+  335.1387 C20H19N2O3+ 3 335.139 -0.84
+  378.2181 C9H30N8O8+ 5 378.2181 -0.09
+  462.2121 C23H26N8O3+ 4 462.2122 -0.28
+PK$NUM_PEAK: 22
+PK$PEAK: m/z int. rel.int.
+  84.0442 1662896 15
+  84.0808 7296748 69
+  86.0964 1495058.2 14
+  101.0709 2818908.8 26
+  124.0994 2511690 23
+  132.0807 5047701.5 47
+  136.0759 1140041.9 10
+  152.0942 2237677.5 21
+  171.1127 2491274 23
+  186.0874 1877045.2 17
+  198.1274 1437410.1 13
+  215.1542 105492080 999
+  243.1492 49403600 467
+  250.1221 1620555.4 15
+  267.1489 2668710.8 25
+  279.1491 4561154 43
+  307.1442 5988216.5 56
+  312.1693 2205169.2 20
+  334.1564 1364810.8 12
+  335.1387 8208527.5 77
+  378.2181 2113651.2 20
+  462.2121 1225557.9 11
+//
diff --git a/Eawag/MSBNK-EAWAG-ED092306.txt b/Eawag/MSBNK-EAWAG-ED092306.txt
new file mode 100644
index 0000000000..635edc606f
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED092306.txt
@@ -0,0 +1,103 @@
+ACCESSION: MSBNK-EAWAG-ED092306
+RECORD_TITLE: Nostocyclopeptide A2; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1021/np000316k
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 923
+CH$NAME: Nostocyclopeptide A2
+CH$NAME: 3-[(3S,6S,9R,15S,18S,21S,23S)-18-benzyl-6-[(2S)-butan-2-yl]-3-(hydroxymethyl)-15-[(4-hydroxyphenyl)methyl]-23-methyl-2,5,8,11,14,20-hexaoxo-1,4,7,10,13,16,19-heptazabicyclo[19.3.0]tetracos-16-en-9-yl]propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C40H54N8O9
+CH$EXACT_MASS: 790.4013753
+CH$SMILES: CC[C@@H]([C@H]1C(N[C@@H](CO)C(N2C[C@@H](C)C[C@H]2C(N[C@@H](CC3=CC=CC=C3)/C=N\[C@@H](CC4=CC=C(O)C=C4)C(NCC(N[C@H](CCC(N)=O)C(N1)=O)=O)=O)=O)=O)=O)C
+CH$IUPAC: InChI=1S/C40H54N8O9/c1-4-24(3)35-39(56)46-31(22-49)40(57)48-21-23(2)16-32(48)38(55)44-27(17-25-8-6-5-7-9-25)19-42-30(18-26-10-12-28(50)13-11-26)36(53)43-20-34(52)45-29(37(54)47-35)14-15-33(41)51/h5-13,19,23-24,27,29-32,35,49-50H,4,14-18,20-22H2,1-3H3,(H2,41,51)(H,43,53)(H,44,55)(H,45,52)(H,46,56)(H,47,54)/b42-19-/t23-,24-,27-,29+,30-,31-,32-,35-/m0/s1
+CH$LINK: CHEBI 80054
+CH$LINK: PUBCHEM CID:10509499
+CH$LINK: INCHIKEY OYHPNVXZUBWKJE-NDJHOONXSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 82-828
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.933 min
+MS$FOCUSED_ION: BASE_PEAK 791.4081
+MS$FOCUSED_ION: PRECURSOR_M/Z 791.4087
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-014i-1490000000-bc5dccaa0229747890ce
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  84.0445 C4H6NO+ 1 84.0444 1.13
+  84.0808 C5H10N+ 1 84.0808 0.39
+  86.0964 C5H12N+ 1 86.0964 -0.48
+  91.0542 C7H7+ 1 91.0542 -0.59
+  98.0965 C6H12N+ 1 98.0964 1.02
+  101.071 C4H9N2O+ 1 101.0709 0.7
+  123.0916 C7H11N2+ 1 123.0917 -0.57
+  124.0995 C7H12N2+ 1 124.0995 -0.17
+  129.0658 C5H9N2O2+ 1 129.0659 -0.47
+  132.0807 C9H10N+ 1 132.0808 -0.68
+  133.0642 C9H9O+ 1 133.0648 -4.35
+  136.0757 C8H10NO+ 1 136.0757 0.15
+  144.0809 C10H10N+ 1 144.0808 0.67
+  147.0915 C9H11N2+ 1 147.0917 -0.97
+  151.0864 C8H11N2O+ 1 151.0866 -1.58
+  152.0944 C8H12N2O+ 1 152.0944 -0.31
+  158.0962 C11H12N+ 1 158.0964 -1.63
+  159.0916 C10H11N2+ 1 159.0917 -0.22
+  171.1125 C8H15N2O2+ 1 171.1128 -1.88
+  186.0874 C7H12N3O3+ 1 186.0873 0.24
+  197.1284 C10H17N2O2+ 1 197.1285 -0.25
+  198.1278 C14H16N+ 2 198.1277 0.36
+  215.1543 C14H19N2+ 2 215.1543 0.09
+  243.1493 C15H19N2O+ 2 243.1492 0.3
+  250.1227 C17H16NO+ 2 250.1226 0.3
+  267.1488 C17H19N2O+ 3 267.1492 -1.59
+  279.1495 C18H19N2O+ 2 279.1492 1.11
+  307.1444 C5H21N7O8+ 3 307.1446 -0.61
+  378.218 C9H30N8O8+ 5 378.2181 -0.18
+  462.2122 C23H26N8O3+ 4 462.2122 -0.14
+PK$NUM_PEAK: 30
+PK$PEAK: m/z int. rel.int.
+  84.0445 2807587.8 29
+  84.0808 13428032 139
+  86.0964 2242233 23
+  91.0542 2288944 23
+  98.0965 1301958.1 13
+  101.071 2332081.5 24
+  123.0916 2694835 27
+  124.0995 12596786 130
+  129.0658 1267232.6 13
+  132.0807 14310761 148
+  133.0642 1092173.5 11
+  136.0757 2363608.2 24
+  144.0809 1259340.6 13
+  147.0915 1053802.2 10
+  151.0864 1633309.5 16
+  152.0944 4239152 44
+  158.0962 2974686.8 30
+  159.0916 3312759.2 34
+  171.1125 2005671.5 20
+  186.0874 1240992.4 12
+  197.1284 1349742.1 14
+  198.1278 4460420.5 46
+  215.1543 96178488 999
+  243.1493 12226213 126
+  250.1227 3187253 33
+  267.1488 2450660 25
+  279.1495 6110410 63
+  307.1444 4159214.5 43
+  378.218 965629.9 10
+  462.2122 1041873.7 10
+//
diff --git a/Eawag/MSBNK-EAWAG-ED092307.txt b/Eawag/MSBNK-EAWAG-ED092307.txt
new file mode 100644
index 0000000000..51ce8d801d
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED092307.txt
@@ -0,0 +1,133 @@
+ACCESSION: MSBNK-EAWAG-ED092307
+RECORD_TITLE: Nostocyclopeptide A2; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1021/np000316k
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 923
+CH$NAME: Nostocyclopeptide A2
+CH$NAME: 3-[(3S,6S,9R,15S,18S,21S,23S)-18-benzyl-6-[(2S)-butan-2-yl]-3-(hydroxymethyl)-15-[(4-hydroxyphenyl)methyl]-23-methyl-2,5,8,11,14,20-hexaoxo-1,4,7,10,13,16,19-heptazabicyclo[19.3.0]tetracos-16-en-9-yl]propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C40H54N8O9
+CH$EXACT_MASS: 790.4013753
+CH$SMILES: CC[C@@H]([C@H]1C(N[C@@H](CO)C(N2C[C@@H](C)C[C@H]2C(N[C@@H](CC3=CC=CC=C3)/C=N\[C@@H](CC4=CC=C(O)C=C4)C(NCC(N[C@H](CCC(N)=O)C(N1)=O)=O)=O)=O)=O)=O)C
+CH$IUPAC: InChI=1S/C40H54N8O9/c1-4-24(3)35-39(56)46-31(22-49)40(57)48-21-23(2)16-32(48)38(55)44-27(17-25-8-6-5-7-9-25)19-42-30(18-26-10-12-28(50)13-11-26)36(53)43-20-34(52)45-29(37(54)47-35)14-15-33(41)51/h5-13,19,23-24,27,29-32,35,49-50H,4,14-18,20-22H2,1-3H3,(H2,41,51)(H,43,53)(H,44,55)(H,45,52)(H,46,56)(H,47,54)/b42-19-/t23-,24-,27-,29+,30-,31-,32-,35-/m0/s1
+CH$LINK: CHEBI 80054
+CH$LINK: PUBCHEM CID:10509499
+CH$LINK: INCHIKEY OYHPNVXZUBWKJE-NDJHOONXSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 82-828
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.933 min
+MS$FOCUSED_ION: BASE_PEAK 791.4081
+MS$FOCUSED_ION: PRECURSOR_M/Z 791.4087
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-01c0-2950000000-473ebc0ddbc3b554b1d2
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  83.0603 C4H7N2+ 1 83.0604 -0.55
+  84.0444 C4H6NO+ 1 84.0444 0.58
+  84.0808 C5H10N+ 1 84.0808 0.3
+  86.0965 C5H12N+ 1 86.0964 1.39
+  91.0543 C7H7+ 1 91.0542 0.33
+  96.0807 C6H10N+ 1 96.0808 -1.16
+  98.0965 C6H12N+ 1 98.0964 0.55
+  101.071 C4H9N2O+ 1 101.0709 0.32
+  107.0491 C7H7O+ 1 107.0491 -0.02
+  109.0759 C6H9N2+ 1 109.076 -0.69
+  115.0542 C9H7+ 1 115.0542 -0.66
+  117.0573 C8H7N+ 1 117.0573 0.03
+  117.0699 C9H9+ 1 117.0699 0.2
+  119.049 C8H7O+ 1 119.0491 -1.17
+  121.0649 C8H9O+ 1 121.0648 0.57
+  123.0916 C7H11N2+ 1 123.0917 -0.33
+  124.0995 C7H12N2+ 1 124.0995 -0.23
+  129.0657 C5H9N2O2+ 1 129.0659 -0.82
+  130.065 C9H8N+ 1 130.0651 -1.28
+  132.0807 C9H10N+ 1 132.0808 -0.45
+  133.0646 C9H9O+ 1 133.0648 -1.72
+  136.0757 C8H10NO+ 1 136.0757 -0.08
+  144.0807 C10H10N+ 1 144.0808 -0.29
+  147.0435 C9H7O2+ 1 147.0441 -3.9
+  147.0917 C9H11N2+ 1 147.0917 -0.14
+  148.0996 C9H12N2+ 1 148.0995 0.5
+  151.0867 C8H11N2O+ 1 151.0866 0.44
+  152.034 C7H6NO3+ 1 152.0342 -1.22
+  152.0943 C8H12N2O+ 1 152.0944 -0.51
+  158.0964 C11H12N+ 1 158.0964 0.1
+  159.0916 C10H11N2+ 1 159.0917 -0.32
+  161.1074 C10H13N2+ 1 161.1073 0.71
+  169.0606 C7H9N2O3+ 1 169.0608 -0.83
+  171.1124 C8H15N2O2+ 1 171.1128 -2.15
+  172.0989 C11H12N2+ 1 172.0995 -3.47
+  198.1278 C14H16N+ 2 198.1277 0.43
+  201.1025 C12H13N2O+ 1 201.1022 1.1
+  213.1389 C14H17N2+ 2 213.1386 1.11
+  215.1543 C14H19N2+ 2 215.1543 0.31
+  243.1493 C15H19N2O+ 2 243.1492 0.55
+  250.1231 C17H16NO+ 2 250.1226 1.64
+  267.1501 C17H19N2O+ 3 267.1492 3.32
+  279.1492 C18H19N2O+ 3 279.1492 0.13
+  307.1437 C19H19N2O2+ 3 307.1441 -1.34
+  333.1963 C22H25N2O+ 3 333.1961 0.37
+PK$NUM_PEAK: 45
+PK$PEAK: m/z int. rel.int.
+  83.0603 720298.2 13
+  84.0444 4638424 84
+  84.0808 18006584 326
+  86.0965 3288502.8 59
+  91.0543 4890593 88
+  96.0807 584853 10
+  98.0965 2750710 49
+  101.071 2222269.5 40
+  107.0491 1740431.5 31
+  109.0759 2658344 48
+  115.0542 2754019.8 49
+  117.0573 1982354.5 35
+  117.0699 2029742.8 36
+  119.049 839050.9 15
+  121.0649 1435405.8 26
+  123.0916 6020002 109
+  124.0995 26536108 481
+  129.0657 1948633.4 35
+  130.065 3206408 58
+  132.0807 23473886 426
+  133.0646 1948283.9 35
+  136.0757 3473085.2 63
+  144.0807 2041144.4 37
+  147.0435 1585518.1 28
+  147.0917 2165828.2 39
+  148.0996 949579.2 17
+  151.0867 2381480.8 43
+  152.034 713456.2 12
+  152.0943 6018294.5 109
+  158.0964 4208403.5 76
+  159.0916 5937014.5 107
+  161.1074 846562.3 15
+  169.0606 884572.7 16
+  171.1124 1040817.4 18
+  172.0989 745242.8 13
+  198.1278 6985685.5 126
+  201.1025 1060375.5 19
+  213.1389 924885.6 16
+  215.1543 55030236 999
+  243.1493 2950862.5 53
+  250.1231 2560745 46
+  267.1501 1182067 21
+  279.1492 3981891 72
+  307.1437 1395450.6 25
+  333.1963 639006.2 11
+//
diff --git a/Eawag/MSBNK-EAWAG-ED092308.txt b/Eawag/MSBNK-EAWAG-ED092308.txt
new file mode 100644
index 0000000000..05d299eb04
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED092308.txt
@@ -0,0 +1,147 @@
+ACCESSION: MSBNK-EAWAG-ED092308
+RECORD_TITLE: Nostocyclopeptide A2; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1021/np000316k
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 923
+CH$NAME: Nostocyclopeptide A2
+CH$NAME: 3-[(3S,6S,9R,15S,18S,21S,23S)-18-benzyl-6-[(2S)-butan-2-yl]-3-(hydroxymethyl)-15-[(4-hydroxyphenyl)methyl]-23-methyl-2,5,8,11,14,20-hexaoxo-1,4,7,10,13,16,19-heptazabicyclo[19.3.0]tetracos-16-en-9-yl]propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C40H54N8O9
+CH$EXACT_MASS: 790.4013753
+CH$SMILES: CC[C@@H]([C@H]1C(N[C@@H](CO)C(N2C[C@@H](C)C[C@H]2C(N[C@@H](CC3=CC=CC=C3)/C=N\[C@@H](CC4=CC=C(O)C=C4)C(NCC(N[C@H](CCC(N)=O)C(N1)=O)=O)=O)=O)=O)=O)C
+CH$IUPAC: InChI=1S/C40H54N8O9/c1-4-24(3)35-39(56)46-31(22-49)40(57)48-21-23(2)16-32(48)38(55)44-27(17-25-8-6-5-7-9-25)19-42-30(18-26-10-12-28(50)13-11-26)36(53)43-20-34(52)45-29(37(54)47-35)14-15-33(41)51/h5-13,19,23-24,27,29-32,35,49-50H,4,14-18,20-22H2,1-3H3,(H2,41,51)(H,43,53)(H,44,55)(H,45,52)(H,46,56)(H,47,54)/b42-19-/t23-,24-,27-,29+,30-,31-,32-,35-/m0/s1
+CH$LINK: CHEBI 80054
+CH$LINK: PUBCHEM CID:10509499
+CH$LINK: INCHIKEY OYHPNVXZUBWKJE-NDJHOONXSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 82-828
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.933 min
+MS$FOCUSED_ION: BASE_PEAK 791.4081
+MS$FOCUSED_ION: PRECURSOR_M/Z 791.4087
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0089-2910000000-7d54ab3e0bd2e974ab09
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  83.0604 C4H7N2+ 1 83.0604 0.37
+  84.0444 C4H6NO+ 1 84.0444 0.4
+  84.0808 C5H10N+ 1 84.0808 0.3
+  86.0964 C5H12N+ 1 86.0964 0.14
+  91.0542 C7H7+ 1 91.0542 0.16
+  96.0443 C5H6NO+ 1 96.0444 -0.43
+  96.0808 C6H10N+ 1 96.0808 0.03
+  98.0964 C6H12N+ 1 98.0964 -0.07
+  101.0708 C4H9N2O+ 1 101.0709 -1.34
+  103.0543 C8H7+ 1 103.0542 0.75
+  105.0699 C8H9+ 1 105.0699 0.64
+  107.0491 C7H7O+ 1 107.0491 -0.81
+  109.076 C6H9N2+ 1 109.076 -0.55
+  110.0604 C6H8NO+ 1 110.06 2.83
+  115.0542 C9H7+ 1 115.0542 -0.33
+  117.0574 C8H7N+ 1 117.0573 0.55
+  117.0698 C9H9+ 1 117.0699 -0.26
+  119.0491 C8H7O+ 1 119.0491 -0.34
+  121.0648 C8H9O+ 1 121.0648 0.45
+  123.0916 C7H11N2+ 1 123.0917 -0.26
+  124.0995 C7H12N2+ 1 124.0995 -0.23
+  126.0915 C7H12NO+ 1 126.0913 1.09
+  129.066 C5H9N2O2+ 1 129.0659 1.42
+  130.065 C9H8N+ 1 130.0651 -0.69
+  131.073 C9H9N+ 1 131.073 0.07
+  132.0807 C9H10N+ 1 132.0808 -0.68
+  133.0644 C9H9O+ 1 133.0648 -2.63
+  134.0602 C8H8NO+ 1 134.06 1.01
+  136.0756 C8H10NO+ 1 136.0757 -0.41
+  144.0807 C10H10N+ 1 144.0808 -0.29
+  147.0439 C9H7O2+ 1 147.0441 -1.2
+  147.0914 C9H11N2+ 1 147.0917 -1.8
+  148.0761 C9H10NO+ 1 148.0757 2.91
+  148.0993 C9H12N2+ 1 148.0995 -1.66
+  151.0864 C8H11N2O+ 1 151.0866 -1.58
+  152.0345 C7H6NO3+ 1 152.0342 1.99
+  152.0942 C8H12N2O+ 1 152.0944 -1.61
+  156.0807 C11H10N+ 1 156.0808 -0.48
+  158.0964 C11H12N+ 1 158.0964 -0.09
+  159.0916 C10H11N2+ 1 159.0917 -0.22
+  161.1073 C10H13N2+ 1 161.1073 -0.33
+  169.0605 C7H9N2O3+ 1 169.0608 -1.64
+  171.0917 C11H11N2+ 1 171.0917 0.32
+  172.0759 C11H10NO+ 1 172.0757 1.08
+  173.1074 C11H13N2+ 1 173.1073 0.27
+  184.076 C12H10NO+ 1 184.0757 1.62
+  197.1287 C10H17N2O2+ 1 197.1285 1.06
+  198.1276 C14H16N+ 2 198.1277 -0.8
+  199.0868 C12H11N2O+ 1 199.0866 1.13
+  215.1544 C14H19N2+ 2 215.1543 0.38
+  243.1491 C15H19N2O+ 2 243.1492 -0.52
+  250.1231 C17H16NO+ 2 250.1226 1.7
+PK$NUM_PEAK: 52
+PK$PEAK: m/z int. rel.int.
+  83.0604 1147165 33
+  84.0444 7691800 223
+  84.0808 23058314 669
+  86.0964 3937913 114
+  91.0542 8938043 259
+  96.0443 676150.5 19
+  96.0808 1098025.8 31
+  98.0964 3694537.8 107
+  101.0708 1230790.1 35
+  103.0543 733023.9 21
+  105.0699 1128211.1 32
+  107.0491 3146931 91
+  109.076 6767067.5 196
+  110.0604 373660.8 10
+  115.0542 5189334 150
+  117.0574 4427331 128
+  117.0698 2978802 86
+  119.0491 1843864 53
+  121.0648 2337110.2 67
+  123.0916 8744277 253
+  124.0995 34411680 999
+  126.0915 692213.8 20
+  129.066 1764797 51
+  130.065 5889343.5 170
+  131.073 654168.2 18
+  132.0807 26122754 758
+  133.0644 2582410.2 74
+  134.0602 607164.9 17
+  136.0756 3255152.2 94
+  144.0807 2215289.2 64
+  147.0439 1549432.4 44
+  147.0914 1905401.6 55
+  148.0761 1208880.4 35
+  148.0993 1105632.9 32
+  151.0864 3051898 88
+  152.0345 916400.4 26
+  152.0942 5980092.5 173
+  156.0807 594741.5 17
+  158.0964 3255758.5 94
+  159.0916 5476565 158
+  161.1073 627076.8 18
+  169.0605 606390.9 17
+  171.0917 810859.4 23
+  172.0759 688392.9 19
+  173.1074 745610.1 21
+  184.076 572396.6 16
+  197.1287 726901.8 21
+  198.1276 5438982.5 157
+  199.0868 703011.5 20
+  215.1544 21720122 630
+  243.1491 683874.2 19
+  250.1231 1942988.8 56
+//
diff --git a/Eawag/MSBNK-EAWAG-ED092309.txt b/Eawag/MSBNK-EAWAG-ED092309.txt
new file mode 100644
index 0000000000..054c773d96
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED092309.txt
@@ -0,0 +1,131 @@
+ACCESSION: MSBNK-EAWAG-ED092309
+RECORD_TITLE: Nostocyclopeptide A2; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1021/np000316k
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 923
+CH$NAME: Nostocyclopeptide A2
+CH$NAME: 3-[(3S,6S,9R,15S,18S,21S,23S)-18-benzyl-6-[(2S)-butan-2-yl]-3-(hydroxymethyl)-15-[(4-hydroxyphenyl)methyl]-23-methyl-2,5,8,11,14,20-hexaoxo-1,4,7,10,13,16,19-heptazabicyclo[19.3.0]tetracos-16-en-9-yl]propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C40H54N8O9
+CH$EXACT_MASS: 790.4013753
+CH$SMILES: CC[C@@H]([C@H]1C(N[C@@H](CO)C(N2C[C@@H](C)C[C@H]2C(N[C@@H](CC3=CC=CC=C3)/C=N\[C@@H](CC4=CC=C(O)C=C4)C(NCC(N[C@H](CCC(N)=O)C(N1)=O)=O)=O)=O)=O)=O)C
+CH$IUPAC: InChI=1S/C40H54N8O9/c1-4-24(3)35-39(56)46-31(22-49)40(57)48-21-23(2)16-32(48)38(55)44-27(17-25-8-6-5-7-9-25)19-42-30(18-26-10-12-28(50)13-11-26)36(53)43-20-34(52)45-29(37(54)47-35)14-15-33(41)51/h5-13,19,23-24,27,29-32,35,49-50H,4,14-18,20-22H2,1-3H3,(H2,41,51)(H,43,53)(H,44,55)(H,45,52)(H,46,56)(H,47,54)/b42-19-/t23-,24-,27-,29+,30-,31-,32-,35-/m0/s1
+CH$LINK: CHEBI 80054
+CH$LINK: PUBCHEM CID:10509499
+CH$LINK: INCHIKEY OYHPNVXZUBWKJE-NDJHOONXSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 82-828
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.933 min
+MS$FOCUSED_ION: BASE_PEAK 791.4081
+MS$FOCUSED_ION: PRECURSOR_M/Z 791.4087
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0089-3900000000-893252926e86c6442549
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  83.0603 C4H7N2+ 1 83.0604 -0.83
+  84.0444 C4H6NO+ 1 84.0444 0.31
+  84.0808 C5H10N+ 1 84.0808 0.12
+  86.0965 C5H12N+ 1 86.0964 0.41
+  91.0542 C7H7+ 1 91.0542 -0.09
+  96.0443 C5H6NO+ 1 96.0444 -0.43
+  96.0807 C6H10N+ 1 96.0808 -0.36
+  98.0965 C6H12N+ 1 98.0964 0.32
+  101.0709 C4H9N2O+ 1 101.0709 -0.51
+  103.0543 C8H7+ 1 103.0542 1.05
+  105.0698 C8H9+ 1 105.0699 -0.37
+  107.0491 C7H7O+ 1 107.0491 -0.66
+  109.076 C6H9N2+ 1 109.076 -0.55
+  110.0598 C6H8NO+ 1 110.06 -1.88
+  115.0542 C9H7+ 1 115.0542 -0.66
+  117.0572 C8H7N+ 1 117.0573 -0.95
+  117.0696 C9H9+ 1 117.0699 -2.54
+  119.0492 C8H7O+ 1 119.0491 0.11
+  120.0806 C8H10N+ 1 120.0808 -1.71
+  121.0647 C8H9O+ 1 121.0648 -0.82
+  123.0916 C7H11N2+ 1 123.0917 -0.51
+  124.0994 C7H12N2+ 1 124.0995 -0.41
+  130.0651 C9H8N+ 1 130.0651 -0.57
+  132.0807 C9H10N+ 1 132.0808 -0.68
+  133.0644 C9H9O+ 1 133.0648 -2.86
+  134.0596 C8H8NO+ 1 134.06 -3.65
+  135.0914 C8H11N2+ 1 135.0917 -1.79
+  136.0756 C8H10NO+ 1 136.0757 -0.97
+  144.0809 C10H10N+ 1 144.0808 0.67
+  146.0599 C9H8NO+ 1 146.06 -0.62
+  147.0436 C9H7O2+ 1 147.0441 -3.38
+  147.0916 C9H11N2+ 1 147.0917 -0.25
+  148.0757 C9H10NO+ 1 148.0757 -0.18
+  151.0865 C8H11N2O+ 1 151.0866 -0.67
+  152.034 C7H6NO3+ 1 152.0342 -1.72
+  152.0941 C8H12N2O+ 1 152.0944 -2.01
+  158.0967 C11H12N+ 1 158.0964 2.03
+  159.0915 C10H11N2+ 1 159.0917 -0.89
+  172.0988 C11H12N2+ 1 172.0995 -3.91
+  184.0758 C12H10NO+ 1 184.0757 0.63
+  196.0756 C13H10NO+ 1 196.0757 -0.58
+  198.1278 C14H16N+ 2 198.1277 0.2
+  199.086 C12H11N2O+ 2 199.0866 -3.16
+  215.1542 C14H19N2+ 2 215.1543 -0.26
+PK$NUM_PEAK: 44
+PK$PEAK: m/z int. rel.int.
+  83.0603 959236.8 35
+  84.0444 9817926 359
+  84.0808 24239244 888
+  86.0965 3491903 127
+  91.0542 12345585 452
+  96.0443 971922.7 35
+  96.0807 1594316.9 58
+  98.0965 4614118.5 169
+  101.0709 672768.1 24
+  103.0543 1250190.6 45
+  105.0698 1945402.1 71
+  107.0491 4138591.5 151
+  109.076 11371400 416
+  110.0598 673594.6 24
+  115.0542 7868722.5 288
+  117.0572 6977699 255
+  117.0696 2845369.8 104
+  119.0492 2574873.2 94
+  120.0806 723406.1 26
+  121.0647 2475932.5 90
+  123.0916 9115994 334
+  124.0994 27256130 999
+  130.0651 8781026 321
+  132.0807 23326298 854
+  133.0644 2444311.2 89
+  134.0596 795178.7 29
+  135.0914 429578.8 15
+  136.0756 2837323.2 103
+  144.0809 2205555.5 80
+  146.0599 734805.1 26
+  147.0436 1313927 48
+  147.0916 871513.8 31
+  148.0757 792192.2 29
+  151.0865 3399258.8 124
+  152.034 983615.9 36
+  152.0941 3811188.5 139
+  158.0967 1284835.4 47
+  159.0915 4133995.2 151
+  172.0988 1297292.8 47
+  184.0758 388150.7 14
+  196.0756 316659.3 11
+  198.1278 3107045 113
+  199.086 505545.7 18
+  215.1542 6580672.5 241
+//
diff --git a/Eawag/MSBNK-EAWAG-ED092351.txt b/Eawag/MSBNK-EAWAG-ED092351.txt
new file mode 100644
index 0000000000..e6e80fa9b1
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED092351.txt
@@ -0,0 +1,51 @@
+ACCESSION: MSBNK-EAWAG-ED092351
+RECORD_TITLE: Nostocyclopeptide A2; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1021/np000316k
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 923
+CH$NAME: Nostocyclopeptide A2
+CH$NAME: 3-[(3S,6S,9R,15S,18S,21S,23S)-18-benzyl-6-[(2S)-butan-2-yl]-3-(hydroxymethyl)-15-[(4-hydroxyphenyl)methyl]-23-methyl-2,5,8,11,14,20-hexaoxo-1,4,7,10,13,16,19-heptazabicyclo[19.3.0]tetracos-16-en-9-yl]propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C40H54N8O9
+CH$EXACT_MASS: 790.4013753
+CH$SMILES: CC[C@@H]([C@H]1C(N[C@@H](CO)C(N2C[C@@H](C)C[C@H]2C(N[C@@H](CC3=CC=CC=C3)/C=N\[C@@H](CC4=CC=C(O)C=C4)C(NCC(N[C@H](CCC(N)=O)C(N1)=O)=O)=O)=O)=O)=O)C
+CH$IUPAC: InChI=1S/C40H54N8O9/c1-4-24(3)35-39(56)46-31(22-49)40(57)48-21-23(2)16-32(48)38(55)44-27(17-25-8-6-5-7-9-25)19-42-30(18-26-10-12-28(50)13-11-26)36(53)43-20-34(52)45-29(37(54)47-35)14-15-33(41)51/h5-13,19,23-24,27,29-32,35,49-50H,4,14-18,20-22H2,1-3H3,(H2,41,51)(H,43,53)(H,44,55)(H,45,52)(H,46,56)(H,47,54)/b42-19-/t23-,24-,27-,29+,30-,31-,32-,35-/m0/s1
+CH$LINK: CHEBI 80054
+CH$LINK: PUBCHEM CID:10509499
+CH$LINK: INCHIKEY OYHPNVXZUBWKJE-NDJHOONXSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 82-826
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.895 min
+MS$FOCUSED_ION: BASE_PEAK 273.1237
+MS$FOCUSED_ION: PRECURSOR_M/Z 789.3941
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0a4i-0000000900-f6187daca6da28fff08a
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  653.3418 C32H45N8O7- 3 653.3417 0.28
+  759.3841 C39H51N8O8- 1 759.3835 0.8
+  771.3834 C40H51N8O8- 1 771.3835 -0.16
+  789.3941 C40H53N8O9- 1 789.3941 0
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  653.3418 335233.1 13
+  759.3841 25236162 999
+  771.3834 417364.3 16
+  789.3941 6048609.5 239
+//
diff --git a/Eawag/MSBNK-EAWAG-ED092352.txt b/Eawag/MSBNK-EAWAG-ED092352.txt
new file mode 100644
index 0000000000..38cc346136
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED092352.txt
@@ -0,0 +1,53 @@
+ACCESSION: MSBNK-EAWAG-ED092352
+RECORD_TITLE: Nostocyclopeptide A2; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1021/np000316k
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 923
+CH$NAME: Nostocyclopeptide A2
+CH$NAME: 3-[(3S,6S,9R,15S,18S,21S,23S)-18-benzyl-6-[(2S)-butan-2-yl]-3-(hydroxymethyl)-15-[(4-hydroxyphenyl)methyl]-23-methyl-2,5,8,11,14,20-hexaoxo-1,4,7,10,13,16,19-heptazabicyclo[19.3.0]tetracos-16-en-9-yl]propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C40H54N8O9
+CH$EXACT_MASS: 790.4013753
+CH$SMILES: CC[C@@H]([C@H]1C(N[C@@H](CO)C(N2C[C@@H](C)C[C@H]2C(N[C@@H](CC3=CC=CC=C3)/C=N\[C@@H](CC4=CC=C(O)C=C4)C(NCC(N[C@H](CCC(N)=O)C(N1)=O)=O)=O)=O)=O)=O)C
+CH$IUPAC: InChI=1S/C40H54N8O9/c1-4-24(3)35-39(56)46-31(22-49)40(57)48-21-23(2)16-32(48)38(55)44-27(17-25-8-6-5-7-9-25)19-42-30(18-26-10-12-28(50)13-11-26)36(53)43-20-34(52)45-29(37(54)47-35)14-15-33(41)51/h5-13,19,23-24,27,29-32,35,49-50H,4,14-18,20-22H2,1-3H3,(H2,41,51)(H,43,53)(H,44,55)(H,45,52)(H,46,56)(H,47,54)/b42-19-/t23-,24-,27-,29+,30-,31-,32-,35-/m0/s1
+CH$LINK: CHEBI 80054
+CH$LINK: PUBCHEM CID:10509499
+CH$LINK: INCHIKEY OYHPNVXZUBWKJE-NDJHOONXSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 82-826
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.895 min
+MS$FOCUSED_ION: BASE_PEAK 273.1237
+MS$FOCUSED_ION: PRECURSOR_M/Z 789.3941
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0a4i-0000001900-ecb770c3b6f5aafead2c
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  653.3416 C32H45N8O7- 3 653.3417 -0.1
+  665.3416 C33H45N8O7- 3 665.3417 -0.08
+  759.3838 C39H51N8O8- 1 759.3835 0.32
+  771.3835 C40H51N8O8- 1 771.3835 -0.08
+  789.3926 C40H53N8O9- 1 789.3941 -1.93
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  653.3416 4064410.5 180
+  665.3416 348229.1 15
+  759.3838 22466416 999
+  771.3835 334039.2 14
+  789.3926 470989.7 20
+//
diff --git a/Eawag/MSBNK-EAWAG-ED092353.txt b/Eawag/MSBNK-EAWAG-ED092353.txt
new file mode 100644
index 0000000000..14907963e0
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED092353.txt
@@ -0,0 +1,59 @@
+ACCESSION: MSBNK-EAWAG-ED092353
+RECORD_TITLE: Nostocyclopeptide A2; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1021/np000316k
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 923
+CH$NAME: Nostocyclopeptide A2
+CH$NAME: 3-[(3S,6S,9R,15S,18S,21S,23S)-18-benzyl-6-[(2S)-butan-2-yl]-3-(hydroxymethyl)-15-[(4-hydroxyphenyl)methyl]-23-methyl-2,5,8,11,14,20-hexaoxo-1,4,7,10,13,16,19-heptazabicyclo[19.3.0]tetracos-16-en-9-yl]propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C40H54N8O9
+CH$EXACT_MASS: 790.4013753
+CH$SMILES: CC[C@@H]([C@H]1C(N[C@@H](CO)C(N2C[C@@H](C)C[C@H]2C(N[C@@H](CC3=CC=CC=C3)/C=N\[C@@H](CC4=CC=C(O)C=C4)C(NCC(N[C@H](CCC(N)=O)C(N1)=O)=O)=O)=O)=O)=O)C
+CH$IUPAC: InChI=1S/C40H54N8O9/c1-4-24(3)35-39(56)46-31(22-49)40(57)48-21-23(2)16-32(48)38(55)44-27(17-25-8-6-5-7-9-25)19-42-30(18-26-10-12-28(50)13-11-26)36(53)43-20-34(52)45-29(37(54)47-35)14-15-33(41)51/h5-13,19,23-24,27,29-32,35,49-50H,4,14-18,20-22H2,1-3H3,(H2,41,51)(H,43,53)(H,44,55)(H,45,52)(H,46,56)(H,47,54)/b42-19-/t23-,24-,27-,29+,30-,31-,32-,35-/m0/s1
+CH$LINK: CHEBI 80054
+CH$LINK: PUBCHEM CID:10509499
+CH$LINK: INCHIKEY OYHPNVXZUBWKJE-NDJHOONXSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 82-826
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.895 min
+MS$FOCUSED_ION: BASE_PEAK 273.1237
+MS$FOCUSED_ION: PRECURSOR_M/Z 789.3941
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0zfr-0000009700-ab13ff87e485c9173afc
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  372.1669 C17H26NO8- 4 372.1664 1.38
+  485.2509 C23H37N2O9- 5 485.2505 0.86
+  635.3311 C32H43N8O6- 4 635.3311 -0.02
+  653.3416 C32H45N8O7- 3 653.3417 -0.1
+  654.3445 C40H48NO7- 3 654.3436 1.39
+  665.3416 C33H45N8O7- 3 665.3417 -0.08
+  759.3835 C39H51N8O8- 1 759.3835 -0.09
+  771.3801 C40H51N8O8- 1 771.3835 -4.43
+PK$NUM_PEAK: 8
+PK$PEAK: m/z int. rel.int.
+  372.1669 134660.1 10
+  485.2509 176287.4 14
+  635.3311 559773.9 44
+  653.3416 12501096 999
+  654.3445 303814.8 24
+  665.3416 983739.9 78
+  759.3835 11244873 898
+  771.3801 130994.8 10
+//
diff --git a/Eawag/MSBNK-EAWAG-ED092354.txt b/Eawag/MSBNK-EAWAG-ED092354.txt
new file mode 100644
index 0000000000..9f0e39eb88
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED092354.txt
@@ -0,0 +1,81 @@
+ACCESSION: MSBNK-EAWAG-ED092354
+RECORD_TITLE: Nostocyclopeptide A2; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1021/np000316k
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 923
+CH$NAME: Nostocyclopeptide A2
+CH$NAME: 3-[(3S,6S,9R,15S,18S,21S,23S)-18-benzyl-6-[(2S)-butan-2-yl]-3-(hydroxymethyl)-15-[(4-hydroxyphenyl)methyl]-23-methyl-2,5,8,11,14,20-hexaoxo-1,4,7,10,13,16,19-heptazabicyclo[19.3.0]tetracos-16-en-9-yl]propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C40H54N8O9
+CH$EXACT_MASS: 790.4013753
+CH$SMILES: CC[C@@H]([C@H]1C(N[C@@H](CO)C(N2C[C@@H](C)C[C@H]2C(N[C@@H](CC3=CC=CC=C3)/C=N\[C@@H](CC4=CC=C(O)C=C4)C(NCC(N[C@H](CCC(N)=O)C(N1)=O)=O)=O)=O)=O)=O)C
+CH$IUPAC: InChI=1S/C40H54N8O9/c1-4-24(3)35-39(56)46-31(22-49)40(57)48-21-23(2)16-32(48)38(55)44-27(17-25-8-6-5-7-9-25)19-42-30(18-26-10-12-28(50)13-11-26)36(53)43-20-34(52)45-29(37(54)47-35)14-15-33(41)51/h5-13,19,23-24,27,29-32,35,49-50H,4,14-18,20-22H2,1-3H3,(H2,41,51)(H,43,53)(H,44,55)(H,45,52)(H,46,56)(H,47,54)/b42-19-/t23-,24-,27-,29+,30-,31-,32-,35-/m0/s1
+CH$LINK: CHEBI 80054
+CH$LINK: PUBCHEM CID:10509499
+CH$LINK: INCHIKEY OYHPNVXZUBWKJE-NDJHOONXSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 82-826
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.895 min
+MS$FOCUSED_ION: BASE_PEAK 273.1237
+MS$FOCUSED_ION: PRECURSOR_M/Z 789.3941
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0udi-0000109100-b6a5561d485017e62157
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  187.0867 C9H9N5- 1 187.0863 2.11
+  227.0811 C11H9N5O- 1 227.0813 -0.74
+  244.1079 C11H12N6O- 1 244.1078 0.46
+  297.1932 C14H25N4O3- 4 297.1932 -0.14
+  350.1496 C18H18N6O2- 3 350.1497 -0.11
+  355.1404 C17H23O8- 3 355.1398 1.44
+  372.1664 C16H20N8O3- 4 372.1664 0
+  404.2299 C20H30N5O4- 4 404.2303 -0.94
+  407.2397 C19H31N6O4- 4 407.2412 -3.77
+  408.2247 C19H30N5O5- 4 408.2252 -1.38
+  425.2515 C21H35N3O6- 3 425.2531 -3.78
+  482.2725 C35H34N2- 4 482.2727 -0.46
+  485.2503 C23H37N2O9- 4 485.2505 -0.27
+  635.3311 C32H43N8O6- 4 635.3311 -0.02
+  636.3206 C39H44N2O6- 6 636.3205 0.17
+  653.3417 C32H45N8O7- 3 653.3417 -0.01
+  654.3442 C40H48NO7- 4 654.3436 0.83
+  665.3412 C33H45N8O7- 3 665.3417 -0.63
+  759.3832 C39H51N8O8- 1 759.3835 -0.41
+PK$NUM_PEAK: 19
+PK$PEAK: m/z int. rel.int.
+  187.0867 182817.3 15
+  227.0811 173715.9 14
+  244.1079 271521.2 22
+  297.1932 123191.3 10
+  350.1496 149932.4 12
+  355.1404 327690 27
+  372.1664 535486.7 45
+  404.2299 178109.5 15
+  407.2397 125023.9 10
+  408.2247 205313.5 17
+  425.2515 508355.8 43
+  482.2725 516170.8 43
+  485.2503 207787.3 17
+  635.3311 1425785.8 120
+  636.3206 120852 10
+  653.3417 11807781 999
+  654.3442 290032.5 24
+  665.3412 720694.8 60
+  759.3832 2257098 190
+//
diff --git a/Eawag/MSBNK-EAWAG-ED092355.txt b/Eawag/MSBNK-EAWAG-ED092355.txt
new file mode 100644
index 0000000000..9cef75b326
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED092355.txt
@@ -0,0 +1,227 @@
+ACCESSION: MSBNK-EAWAG-ED092355
+RECORD_TITLE: Nostocyclopeptide A2; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1021/np000316k
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 923
+CH$NAME: Nostocyclopeptide A2
+CH$NAME: 3-[(3S,6S,9R,15S,18S,21S,23S)-18-benzyl-6-[(2S)-butan-2-yl]-3-(hydroxymethyl)-15-[(4-hydroxyphenyl)methyl]-23-methyl-2,5,8,11,14,20-hexaoxo-1,4,7,10,13,16,19-heptazabicyclo[19.3.0]tetracos-16-en-9-yl]propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C40H54N8O9
+CH$EXACT_MASS: 790.4013753
+CH$SMILES: CC[C@@H]([C@H]1C(N[C@@H](CO)C(N2C[C@@H](C)C[C@H]2C(N[C@@H](CC3=CC=CC=C3)/C=N\[C@@H](CC4=CC=C(O)C=C4)C(NCC(N[C@H](CCC(N)=O)C(N1)=O)=O)=O)=O)=O)=O)C
+CH$IUPAC: InChI=1S/C40H54N8O9/c1-4-24(3)35-39(56)46-31(22-49)40(57)48-21-23(2)16-32(48)38(55)44-27(17-25-8-6-5-7-9-25)19-42-30(18-26-10-12-28(50)13-11-26)36(53)43-20-34(52)45-29(37(54)47-35)14-15-33(41)51/h5-13,19,23-24,27,29-32,35,49-50H,4,14-18,20-22H2,1-3H3,(H2,41,51)(H,43,53)(H,44,55)(H,45,52)(H,46,56)(H,47,54)/b42-19-/t23-,24-,27-,29+,30-,31-,32-,35-/m0/s1
+CH$LINK: CHEBI 80054
+CH$LINK: PUBCHEM CID:10509499
+CH$LINK: INCHIKEY OYHPNVXZUBWKJE-NDJHOONXSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 82-826
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.895 min
+MS$FOCUSED_ION: BASE_PEAK 273.1237
+MS$FOCUSED_ION: PRECURSOR_M/Z 789.3941
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0kjc-0974503000-7d682b348dacd25bf622
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  84.0091 C3H2NO2- 1 84.0091 -0.53
+  93.0345 C6H5O- 1 93.0346 -0.55
+  95.0253 C4H3N2O- 1 95.0251 2.76
+  99.02 C3H3N2O2- 1 99.02 -0.33
+  113.0356 C4H5N2O2- 1 113.0357 -0.36
+  119.0505 C8H7O- 1 119.0502 2.04
+  123.0564 C6H7N2O- 1 123.0564 -0.26
+  124.0403 C6H6NO2- 1 124.0404 -0.48
+  125.0357 C5H5N2O2- 1 125.0357 0.14
+  126.0195 C5H4NO3- 1 126.0197 -1.71
+  127.0511 C5H7N2O2- 1 127.0513 -1.51
+  127.0873 C6H11N2O- 1 127.0877 -2.95
+  129.1037 C6H13N2O- 1 129.1033 2.53
+  130.0623 C4H8N3O2- 1 130.0622 0.48
+  130.0876 C6H12NO2- 1 130.0874 2.08
+  139.0879 C7H11N2O- 1 139.0877 1.34
+  140.0711 C7H10NO2- 1 140.0717 -4.37
+  142.062 C5H8N3O2- 1 142.0622 -1.72
+  144.078 C5H10N3O2- 1 144.0779 0.94
+  149.0714 C8H9N2O- 2 149.072 -4.24
+  151.0878 C8H11N2O- 1 151.0877 0.74
+  152.0469 C6H6N3O2- 1 152.0466 2.15
+  153.0665 C7H9N2O2- 1 153.067 -3.03
+  153.1035 C8H13N2O- 1 153.1033 0.8
+  155.0821 C7H11N2O2- 1 155.0826 -3.51
+  156.0415 C5H6N3O3- 1 156.0415 0.43
+  166.0616 C5H6N6O- 2 166.0609 4.24
+  166.0985 C8H12N3O- 1 166.0986 -0.78
+  167.0457 C7H7N2O3- 2 167.0462 -3.29
+  167.082 C8H11N2O2- 2 167.0826 -3.43
+  169.0975 C6H11N5O- 2 169.0969 3.55
+  170.0568 C6H8N3O3- 1 170.0571 -1.74
+  179.0818 C9H11N2O2- 2 179.0826 -4.7
+  179.1181 C10H15N2O- 2 179.119 -4.92
+  181.0976 C9H13N2O2- 2 181.0983 -3.81
+  184.0724 C7H10N3O3- 1 184.0728 -1.88
+  184.1081 C6H12N6O- 1 184.1078 1.64
+  186.1239 C6H14N6O- 2 186.1235 2.47
+  187.0869 C9H9N5- 2 187.0863 2.76
+  195.0774 C9H11N2O3- 1 195.0775 -0.46
+  196.1083 C7H12N6O- 2 196.1078 2.52
+  196.1438 C8H16N6- 2 196.1442 -1.96
+  199.0863 C10H9N5- 1 199.0863 -0.39
+  201.0987 C7H13N4O3- 3 201.0993 -3.1
+  212.1044 C9H14N3O3- 2 212.1041 1.44
+  219.113 C12H15N2O2- 2 219.1139 -4.06
+  222.1242 C11H16N3O2- 2 222.1248 -2.63
+  223.1072 C9H13N5O2- 3 223.1075 -1.21
+  226.1208 C10H16N3O3- 2 226.1197 4.89
+  227.0812 C11H9N5O- 1 227.0813 -0.14
+  236.139 C10H16N6O- 1 236.1391 -0.6
+  239.0831 H13N7O8- 2 239.0831 -0.01
+  240.1341 C9H16N6O2- 1 240.134 0.21
+  244.1081 C11H12N6O- 2 244.1078 1.09
+  250.1228 C15H14N4- 2 250.1224 1.61
+  256.1087 C14H14N3O2- 3 256.1092 -1.84
+  257.1609 C10H25O7- 3 257.1606 1.35
+  258.1238 C14H16N3O2- 2 258.1248 -3.82
+  258.1601 C13H18N6- 2 258.1598 1.11
+  261.1351 C13H17N4O2- 3 261.1357 -2.16
+  279.1814 C13H27O6- 3 279.1813 0.21
+  280.1652 C12H20N6O2- 2 280.1653 -0.44
+  289.1666 C15H21N4O2- 3 289.167 -1.54
+  293.1275 C15H19NO5- 3 293.1269 2.18
+  296.173 C13H22N5O3- 2 296.1728 0.72
+  297.1934 C14H25N4O3- 4 297.1932 0.47
+  301.1297 C14H21O7- 3 301.1293 1.46
+  305.1621 C15H21N4O3- 2 305.1619 0.67
+  307.177 C15H23N4O3- 3 307.1776 -1.86
+  313.1305 C16H17N4O3- 4 313.1306 -0.21
+  314.1824 C13H24N5O4- 3 314.1834 -3.11
+  323.1718 C14H27O8- 3 323.1711 1.93
+  350.1499 C18H18N6O2- 4 350.1497 0.58
+  354.1604 C21H18N6- 3 354.1598 1.67
+  366.2132 C17H28N5O4- 4 366.2147 -4.05
+  371.207 C17H29N3O6- 3 371.2062 2.12
+  372.1665 C17H26NO8- 4 372.1664 0.23
+  382.2462 C18H32N5O4- 4 382.246 0.58
+  390.2138 C18H32NO8- 4 390.2133 1.18
+  392.1921 C18H26N5O5- 4 392.1939 -4.68
+  394.1857 C18H26N4O6- 4 394.1858 -0.12
+  404.2299 C20H30N5O4- 4 404.2303 -1.02
+  407.2405 C19H31N6O4- 3 407.2412 -1.82
+  408.2248 C19H30N5O5- 4 408.2252 -1.16
+  425.2514 C21H35N3O6- 3 425.2531 -4.14
+  439.2677 C20H35N6O5- 3 439.2674 0.63
+  440.2293 C23H30N5O4- 4 440.2303 -2.26
+  465.246 C18H35N5O9- 4 465.244 4.31
+  482.2728 C35H34N2- 4 482.2727 0.11
+  635.3307 C32H43N8O6- 4 635.3311 -0.6
+  636.3202 C39H44N2O6- 5 636.3205 -0.4
+  653.3413 C32H45N8O7- 3 653.3417 -0.57
+PK$NUM_PEAK: 92
+PK$PEAK: m/z int. rel.int.
+  84.0091 93299.4 77
+  93.0345 55867.5 46
+  95.0253 19619.5 16
+  99.02 140714.6 116
+  113.0356 55543 46
+  119.0505 18573.9 15
+  123.0564 44391.5 36
+  124.0403 41999.6 34
+  125.0357 33122.1 27
+  126.0195 78447 65
+  127.0511 386060.9 320
+  127.0873 107836.9 89
+  129.1037 31385.6 26
+  130.0623 22896.4 19
+  130.0876 16334.6 13
+  139.0879 19742.4 16
+  140.0711 62741 52
+  142.062 43948.6 36
+  144.078 407048.3 338
+  149.0714 48851.7 40
+  151.0878 21424 17
+  152.0469 29949.6 24
+  153.0665 93515.9 77
+  153.1035 25288 21
+  155.0821 113327.3 94
+  156.0415 22543.2 18
+  166.0616 216335 179
+  166.0985 47439.6 39
+  167.0457 83820 69
+  167.082 232506.4 193
+  169.0975 268494.8 223
+  170.0568 26738.9 22
+  179.0818 38184.7 31
+  179.1181 94744.6 78
+  181.0976 33672 27
+  184.0724 288630.7 239
+  184.1081 411449.9 341
+  186.1239 44662 37
+  187.0869 663517.4 551
+  195.0774 19399.6 16
+  196.1083 33123 27
+  196.1438 68478.4 56
+  199.0863 112273.8 93
+  201.0987 222848.1 185
+  212.1044 40722.2 33
+  219.113 26878 22
+  222.1242 110940.9 92
+  223.1072 178428.9 148
+  226.1208 23410.4 19
+  227.0812 631003.1 524
+  236.139 86794.7 72
+  239.0831 55327.6 45
+  240.1341 143037.5 118
+  244.1081 717376.6 596
+  250.1228 51012.2 42
+  256.1087 34334.2 28
+  257.1609 108643.4 90
+  258.1238 12527.6 10
+  258.1601 19690.1 16
+  261.1351 64027.2 53
+  279.1814 423809.2 352
+  280.1652 91746.4 76
+  289.1666 26674.4 22
+  293.1275 83272.7 69
+  296.173 31272.5 25
+  297.1934 263289.7 218
+  301.1297 113186.4 94
+  305.1621 124781 103
+  307.177 107154.8 89
+  313.1305 17501.9 14
+  314.1824 104323.4 86
+  323.1718 508920.5 422
+  350.1499 64773.8 53
+  354.1604 63778.3 52
+  366.2132 103087.2 85
+  371.207 33726.6 28
+  372.1665 677181.8 562
+  382.2462 62288.6 51
+  390.2138 187409.3 155
+  392.1921 16994.1 14
+  394.1857 80271.5 66
+  404.2299 84359.5 70
+  407.2405 755729.4 627
+  408.2248 240282.5 199
+  425.2514 595097.8 494
+  439.2677 35527.9 29
+  440.2293 41200.3 34
+  465.246 64707.8 53
+  482.2728 697677.4 579
+  635.3307 654631.2 543
+  636.3202 55900.2 46
+  653.3413 1202235.5 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED092356.txt b/Eawag/MSBNK-EAWAG-ED092356.txt
new file mode 100644
index 0000000000..7408792684
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED092356.txt
@@ -0,0 +1,261 @@
+ACCESSION: MSBNK-EAWAG-ED092356
+RECORD_TITLE: Nostocyclopeptide A2; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1021/np000316k
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 923
+CH$NAME: Nostocyclopeptide A2
+CH$NAME: 3-[(3S,6S,9R,15S,18S,21S,23S)-18-benzyl-6-[(2S)-butan-2-yl]-3-(hydroxymethyl)-15-[(4-hydroxyphenyl)methyl]-23-methyl-2,5,8,11,14,20-hexaoxo-1,4,7,10,13,16,19-heptazabicyclo[19.3.0]tetracos-16-en-9-yl]propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C40H54N8O9
+CH$EXACT_MASS: 790.4013753
+CH$SMILES: CC[C@@H]([C@H]1C(N[C@@H](CO)C(N2C[C@@H](C)C[C@H]2C(N[C@@H](CC3=CC=CC=C3)/C=N\[C@@H](CC4=CC=C(O)C=C4)C(NCC(N[C@H](CCC(N)=O)C(N1)=O)=O)=O)=O)=O)=O)C
+CH$IUPAC: InChI=1S/C40H54N8O9/c1-4-24(3)35-39(56)46-31(22-49)40(57)48-21-23(2)16-32(48)38(55)44-27(17-25-8-6-5-7-9-25)19-42-30(18-26-10-12-28(50)13-11-26)36(53)43-20-34(52)45-29(37(54)47-35)14-15-33(41)51/h5-13,19,23-24,27,29-32,35,49-50H,4,14-18,20-22H2,1-3H3,(H2,41,51)(H,43,53)(H,44,55)(H,45,52)(H,46,56)(H,47,54)/b42-19-/t23-,24-,27-,29+,30-,31-,32-,35-/m0/s1
+CH$LINK: CHEBI 80054
+CH$LINK: PUBCHEM CID:10509499
+CH$LINK: INCHIKEY OYHPNVXZUBWKJE-NDJHOONXSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 82-826
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.895 min
+MS$FOCUSED_ION: BASE_PEAK 273.1237
+MS$FOCUSED_ION: PRECURSOR_M/Z 789.3941
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-004i-0941000000-911c9409ff0dee9f7e8e
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  83.0252 C3H3N2O- 1 83.0251 1.86
+  84.009 C3H2NO2- 1 84.0091 -0.8
+  93.0345 C6H5O- 1 93.0346 -1.13
+  95.0251 C4H3N2O- 1 95.0251 -0.37
+  97.0048 C3HN2O2- 1 97.0044 4.93
+  97.0409 C4H5N2O- 1 97.0407 2.16
+  99.0199 C3H3N2O2- 1 99.02 -1.33
+  109.0408 C5H5N2O- 1 109.0407 0.39
+  111.0197 C4H3N2O2- 1 111.02 -2.46
+  111.0566 C5H7N2O- 1 111.0564 1.99
+  113.0356 C4H5N2O2- 1 113.0357 -0.77
+  115.0519 C4H7N2O2- 1 115.0513 4.81
+  118.0665 C8H8N- 1 118.0662 2.45
+  119.0506 C8H7O- 1 119.0502 2.62
+  123.0558 C6H7N2O- 1 123.0564 -4.48
+  124.0405 C6H6NO2- 1 124.0404 1.06
+  124.0512 C5H6N3O- 1 124.0516 -3.27
+  125.0355 C5H5N2O2- 1 125.0357 -1.08
+  125.1088 C7H13N2- 1 125.1084 2.74
+  126.0198 C5H4NO3- 1 126.0197 1.32
+  126.0676 C5H8N3O- 1 126.0673 2.19
+  127.0512 C5H7N2O2- 1 127.0513 -1.15
+  127.0875 C6H11N2O- 1 127.0877 -1.39
+  128.0469 C4H6N3O2- 1 128.0466 3
+  128.0719 C6H10NO2- 1 128.0717 1.76
+  129.1034 C6H13N2O- 1 129.1033 0.52
+  130.0619 C4H8N3O2- 1 130.0622 -2.22
+  130.0878 C6H12NO2- 1 130.0874 3.72
+  131.0375 C8H5NO- 1 131.0377 -1.05
+  136.0281 C6H4N2O2- 1 136.0278 1.89
+  139.0514 C6H7N2O2- 1 139.0513 0.96
+  139.0872 C7H11N2O- 1 139.0877 -3.71
+  140.0468 C5H6N3O2- 1 140.0466 1.67
+  140.0713 C7H10NO2- 1 140.0717 -3.17
+  141.0671 C6H9N2O2- 1 141.067 0.8
+  142.0626 C5H8N3O2- 1 142.0622 3.01
+  144.0785 C5H10N3O2- 1 144.0779 4.22
+  149.0354 C7H5N2O2- 1 149.0357 -1.93
+  149.0716 C8H9N2O- 1 149.072 -3.01
+  151.0872 C8H11N2O- 1 151.0877 -3.3
+  152.0466 C6H6N3O2- 1 152.0466 0.25
+  153.0665 C7H9N2O2- 1 153.067 -3.23
+  154.0618 C6H8N3O2- 1 154.0622 -2.66
+  155.0821 C7H11N2O2- 1 155.0826 -3.31
+  156.0413 C5H6N3O3- 1 156.0415 -0.74
+  159.0688 C10H9NO- 1 159.069 -1.24
+  166.0615 C5H6N6O- 2 166.0609 3.87
+  166.098 C8H12N3O- 2 166.0986 -3.81
+  167.0459 C7H7N2O3- 1 167.0462 -2.1
+  167.082 C8H11N2O2- 2 167.0826 -3.8
+  168.114 C8H14N3O- 1 168.1142 -1.32
+  170.0567 C6H8N3O3- 1 170.0571 -2.64
+  179.0829 C9H11N2O2- 1 179.0826 1.43
+  179.1183 C10H15N2O- 2 179.119 -3.73
+  182.0566 C7H8N3O3- 2 182.0571 -2.59
+  182.1296 C9H16N3O- 1 182.1299 -1.59
+  184.0728 C7H10N3O3- 1 184.0728 0.36
+  184.1081 C6H12N6O- 1 184.1078 1.55
+  186.1239 C6H14N6O- 2 186.1235 2.22
+  187.0869 C9H9N5- 2 187.0863 3.17
+  192.0773 C9H10N3O2- 2 192.0779 -2.67
+  193.1346 C11H17N2O- 1 193.1346 -0.29
+  194.0935 C9H12N3O2- 1 194.0935 0.23
+  195.0767 C9H11N2O3- 2 195.0775 -4.06
+  195.1133 C10H15N2O2- 2 195.1139 -3.01
+  196.1081 C7H12N6O- 1 196.1078 1.75
+  196.1444 C8H16N6- 1 196.1442 1.08
+  198.1239 C7H14N6O- 2 198.1235 2.16
+  199.0857 C10H9N5- 2 199.0863 -3.15
+  201.0986 C7H13N4O3- 3 201.0993 -3.4
+  219.1136 C12H15N2O2- 2 219.1139 -1.27
+  222.1242 C11H16N3O2- 2 222.1248 -2.91
+  223.1073 C9H13N5O2- 1 223.1075 -0.86
+  225.1349 C9H21O6- 3 225.1344 2.27
+  226.1196 C10H16N3O3- 1 226.1197 -0.64
+  227.0815 C11H9N5O- 1 227.0813 0.87
+  229.1342 C14H17N2O- 3 229.1346 -1.86
+  236.1395 C10H16N6O- 2 236.1391 1.73
+  239.1503 C10H23O6- 3 239.15 1.36
+  240.1344 C9H16N6O2- 2 240.134 1.41
+  243.1467 C12H21NO4- 2 243.1476 -3.63
+  244.1084 C11H12N6O- 2 244.1078 2.28
+  250.1224 C15H14N4- 1 250.1224 -0.04
+  257.1608 C10H25O7- 3 257.1606 0.87
+  261.1357 C13H17N4O2- 1 261.1357 -0.05
+  266.1013 C10H18O8- 3 266.1007 2.31
+  279.1818 C13H27O6- 3 279.1813 1.63
+  280.1657 C12H20N6O2- 2 280.1653 1.2
+  289.1667 C15H21N4O2- 3 289.167 -1.12
+  293.1281 C15H19NO5- 4 293.1269 4.26
+  296.1729 C13H22N5O3- 4 296.1728 0.3
+  297.193 C14H25N4O3- 3 297.1932 -0.76
+  301.1294 C14H21O7- 4 301.1293 0.24
+  305.1624 C15H21N4O3- 2 305.1619 1.47
+  307.1767 C15H23N4O3- 3 307.1776 -2.85
+  314.1826 C13H24N5O4- 3 314.1834 -2.33
+  323.1713 C14H27O8- 4 323.1711 0.61
+  336.2034 C15H30NO7- 3 336.2028 1.84
+  348.2051 C19H28N2O4- 3 348.2055 -1.07
+  354.1592 C21H18N6- 2 354.1598 -1.87
+  355.1399 C17H23O8- 4 355.1398 0.06
+  366.2153 C17H28N5O4- 2 366.2147 1.78
+  371.2057 C17H29N3O6- 2 371.2062 -1.41
+  382.2463 C18H32N5O4- 4 382.246 0.9
+  390.2136 C18H32NO8- 4 390.2133 0.56
+  407.2406 C19H31N6O4- 4 407.2412 -1.6
+  408.2247 C19H30N5O5- 4 408.2252 -1.31
+  439.2681 C20H35N6O5- 5 439.2674 1.46
+  635.3301 C32H43N8O6- 3 635.3311 -1.56
+PK$NUM_PEAK: 109
+PK$PEAK: m/z int. rel.int.
+  83.0252 35702.9 56
+  84.009 136476 217
+  93.0345 85501.3 136
+  95.0251 84767.7 135
+  97.0048 11456.1 18
+  97.0409 38489.2 61
+  99.0199 268923.7 429
+  109.0408 38405.9 61
+  111.0197 53431.5 85
+  111.0566 21478.9 34
+  113.0356 138662.5 221
+  115.0519 26835.5 42
+  118.0665 16697.4 26
+  119.0506 39893.9 63
+  123.0558 59041.7 94
+  124.0405 28426.7 45
+  124.0512 15206.1 24
+  125.0355 107092 170
+  125.1088 20306 32
+  126.0198 59464 94
+  126.0676 35417.1 56
+  127.0512 625782.8 999
+  127.0875 292471.6 466
+  128.0469 22839.7 36
+  128.0719 16187 25
+  129.1034 90823.6 144
+  130.0619 89871.6 143
+  130.0878 17882.8 28
+  131.0375 18271.1 29
+  136.0281 21373.7 34
+  139.0514 20557.7 32
+  139.0872 83479.1 133
+  140.0468 69916.2 111
+  140.0713 90652.1 144
+  141.0671 10507.9 16
+  142.0626 64112.5 102
+  144.0785 536974.6 857
+  149.0354 14421 23
+  149.0716 160523.2 256
+  151.0872 68743.4 109
+  152.0466 38003.9 60
+  153.0665 124469 198
+  154.0618 42224.2 67
+  155.0821 170346.9 271
+  156.0413 38162.1 60
+  159.0688 40112.9 64
+  166.0615 247268.7 394
+  166.098 161852 258
+  167.0459 53011.1 84
+  167.082 390727 623
+  168.114 32829.4 52
+  170.0567 41378 66
+  179.0829 53079.1 84
+  179.1183 118872.1 189
+  182.0566 87624.9 139
+  182.1296 49592.7 79
+  184.0728 269874 430
+  184.1081 475941.2 759
+  186.1239 136857.6 218
+  187.0869 604170.2 964
+  192.0773 24133 38
+  193.1346 19023.8 30
+  194.0935 31622.1 50
+  195.0767 34423 54
+  195.1133 25984.7 41
+  196.1081 63187.4 100
+  196.1444 100558 160
+  198.1239 32008.2 51
+  199.0857 169535.9 270
+  201.0986 278190.9 444
+  219.1136 31871.4 50
+  222.1242 192614.9 307
+  223.1073 128312.3 204
+  225.1349 44817.8 71
+  226.1196 20353.4 32
+  227.0815 506586.8 808
+  229.1342 33343.8 53
+  236.1395 72535.8 115
+  239.1503 233010.6 371
+  240.1344 108704.2 173
+  243.1467 28847.1 46
+  244.1084 332216.3 530
+  250.1224 46151 73
+  257.1608 139663.3 222
+  261.1357 15481.2 24
+  266.1013 34353.7 54
+  279.1818 556108.5 887
+  280.1657 90712.4 144
+  289.1667 36299.6 57
+  293.1281 33995.3 54
+  296.1729 61222.9 97
+  297.193 102196.6 163
+  301.1294 86168 137
+  305.1624 99484.6 158
+  307.1767 52351.2 83
+  314.1826 98722.7 157
+  323.1713 165906.8 264
+  336.2034 110082.6 175
+  348.2051 50544.6 80
+  354.1592 17748.1 28
+  355.1399 16522.1 26
+  366.2153 62829 100
+  371.2057 20603.5 32
+  382.2463 18992 30
+  390.2136 93050.4 148
+  407.2406 265519.7 423
+  408.2247 50012.7 79
+  439.2681 10605.7 16
+  635.3301 18005.4 28
+//
diff --git a/Eawag/MSBNK-EAWAG-ED092357.txt b/Eawag/MSBNK-EAWAG-ED092357.txt
new file mode 100644
index 0000000000..8f622870d5
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED092357.txt
@@ -0,0 +1,267 @@
+ACCESSION: MSBNK-EAWAG-ED092357
+RECORD_TITLE: Nostocyclopeptide A2; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1021/np000316k
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 923
+CH$NAME: Nostocyclopeptide A2
+CH$NAME: 3-[(3S,6S,9R,15S,18S,21S,23S)-18-benzyl-6-[(2S)-butan-2-yl]-3-(hydroxymethyl)-15-[(4-hydroxyphenyl)methyl]-23-methyl-2,5,8,11,14,20-hexaoxo-1,4,7,10,13,16,19-heptazabicyclo[19.3.0]tetracos-16-en-9-yl]propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C40H54N8O9
+CH$EXACT_MASS: 790.4013753
+CH$SMILES: CC[C@@H]([C@H]1C(N[C@@H](CO)C(N2C[C@@H](C)C[C@H]2C(N[C@@H](CC3=CC=CC=C3)/C=N\[C@@H](CC4=CC=C(O)C=C4)C(NCC(N[C@H](CCC(N)=O)C(N1)=O)=O)=O)=O)=O)=O)C
+CH$IUPAC: InChI=1S/C40H54N8O9/c1-4-24(3)35-39(56)46-31(22-49)40(57)48-21-23(2)16-32(48)38(55)44-27(17-25-8-6-5-7-9-25)19-42-30(18-26-10-12-28(50)13-11-26)36(53)43-20-34(52)45-29(37(54)47-35)14-15-33(41)51/h5-13,19,23-24,27,29-32,35,49-50H,4,14-18,20-22H2,1-3H3,(H2,41,51)(H,43,53)(H,44,55)(H,45,52)(H,46,56)(H,47,54)/b42-19-/t23-,24-,27-,29+,30-,31-,32-,35-/m0/s1
+CH$LINK: CHEBI 80054
+CH$LINK: PUBCHEM CID:10509499
+CH$LINK: INCHIKEY OYHPNVXZUBWKJE-NDJHOONXSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 82-826
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.895 min
+MS$FOCUSED_ION: BASE_PEAK 273.1237
+MS$FOCUSED_ION: PRECURSOR_M/Z 789.3941
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-00or-1920000000-a6c2fb2b9b7a0e247140
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  83.0253 C3H3N2O- 1 83.0251 2.13
+  84.009 C3H2NO2- 1 84.0091 -0.62
+  85.0406 C3H5N2O- 1 85.0407 -1.56
+  91.0556 C7H7- 1 91.0553 2.98
+  93.0346 C6H5O- 1 93.0346 -0.14
+  95.025 C4H3N2O- 1 95.0251 -0.45
+  97.0044 C3HN2O2- 1 97.0044 0.84
+  97.0405 C4H5N2O- 1 97.0407 -2.71
+  98.0124 C3H2N2O2- 1 98.0122 2.62
+  99.0199 C3H3N2O2- 1 99.02 -0.95
+  99.0567 C4H7N2O- 1 99.0564 2.74
+  108.0329 C5H4N2O- 1 108.0329 0.05
+  109.0406 C5H5N2O- 1 109.0407 -0.8
+  110.0125 C4H2N2O2- 1 110.0122 2.94
+  111.0199 C4H3N2O2- 1 111.02 -0.47
+  111.0565 C5H7N2O- 1 111.0564 0.96
+  112.0281 C4H4N2O2- 1 112.0278 2.51
+  112.052 C4H6N3O- 1 112.0516 3.21
+  113.0355 C4H5N2O2- 1 113.0357 -1.58
+  115.0516 C4H7N2O2- 1 115.0513 2.89
+  117.0709 C9H9- 1 117.071 -0.24
+  118.066 C8H8N- 1 118.0662 -2.27
+  119.0504 C8H7O- 1 119.0502 1.27
+  123.0199 C5H3N2O2- 1 123.02 -1.06
+  123.0561 C6H7N2O- 1 123.0564 -2.62
+  124.0405 C6H6NO2- 1 124.0404 0.45
+  124.0516 C5H6N3O- 1 124.0516 -0.68
+  124.077 C7H10NO- 1 124.0768 1.55
+  125.0355 C5H5N2O2- 1 125.0357 -1.26
+  125.1084 C7H13N2- 1 125.1084 -0.37
+  126.0198 C5H4NO3- 1 126.0197 0.77
+  126.0671 C5H8N3O- 1 126.0673 -1.86
+  127.0512 C5H7N2O2- 1 127.0513 -1.09
+  127.0875 C6H11N2O- 1 127.0877 -1.51
+  128.0469 C4H6N3O2- 1 128.0466 2.76
+  128.0718 C6H10NO2- 1 128.0717 1.05
+  129.1032 C6H13N2O- 1 129.1033 -0.9
+  130.0619 C4H8N3O2- 1 130.0622 -2.22
+  131.038 C8H5NO- 1 131.0377 2.56
+  132.0581 C9H8O- 1 132.0581 0.53
+  136.0278 C6H4N2O2- 1 136.0278 -0.02
+  136.1129 C9H14N- 1 136.1132 -2.3
+  137.0359 C6H5N2O2- 1 137.0357 1.48
+  139.0516 C6H7N2O2- 1 139.0513 1.84
+  139.0876 C7H11N2O- 1 139.0877 -0.86
+  140.0467 C5H6N3O2- 1 140.0466 0.79
+  140.0711 C7H10NO2- 1 140.0717 -4.26
+  140.0833 C6H10N3O- 1 140.0829 2.8
+  141.0668 C6H9N2O2- 1 141.067 -0.82
+  141.1034 C7H13N2O- 1 141.1033 0.2
+  143.1189 C7H15N2O- 1 143.119 -0.67
+  144.0791 C7H12O3- 1 144.0792 -0.44
+  149.0355 C7H5N2O2- 1 149.0357 -0.8
+  149.0716 C8H9N2O- 1 149.072 -2.81
+  151.0873 C8H11N2O- 1 151.0877 -2.7
+  152.0466 C6H6N3O2- 1 152.0466 0.55
+  152.0716 C8H10NO2- 1 152.0717 -0.59
+  153.0666 C7H9N2O2- 1 153.067 -2.03
+  153.1026 C8H13N2O- 2 153.1033 -4.88
+  154.0629 C6H8N3O2- 2 154.0622 4.28
+  155.0328 C3H3N6O2- 1 155.0323 3.55
+  155.0821 C7H11N2O2- 1 155.0826 -3.31
+  156.0414 C5H6N3O3- 1 156.0415 -0.15
+  158.0615 C10H8NO- 1 158.0611 2.28
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+  167.0456 C7H7N2O3- 2 167.0462 -3.47
+  167.082 C8H11N2O2- 2 167.0826 -3.71
+  168.1139 C8H14N3O- 1 168.1142 -2.04
+  169.0976 C6H11N5O- 2 169.0969 3.91
+  177.0673 C9H9N2O2- 1 177.067 2.06
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+  181.098 C9H13N2O2- 1 181.0983 -1.53
+  182.0566 C7H8N3O3- 2 182.0571 -2.84
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+  184.1082 C6H12N6O- 2 184.1078 2.38
+  185.0725 C11H9N2O- 1 185.072 2.27
+  186.1239 C6H14N6O- 2 186.1235 2.38
+  187.087 C9H9N5- 2 187.0863 3.74
+  192.0777 C9H10N3O2- 1 192.0779 -0.53
+  194.0932 C9H12N3O2- 1 194.0935 -1.74
+  195.0772 C9H11N2O3- 1 195.0775 -1.79
+  195.1137 C10H15N2O2- 1 195.1139 -1.14
+  196.1084 C7H12N6O- 2 196.1078 3.15
+  196.1438 C8H16N6- 2 196.1442 -1.88
+  198.1239 C7H14N6O- 2 198.1235 2.39
+  199.0859 C10H9N5- 2 199.0863 -2
+  201.066 C9H7N5O- 2 201.0656 1.75
+  201.0986 C7H13N4O3- 3 201.0993 -3.48
+  212.1038 C9H14N3O3- 1 212.1041 -1.22
+  220.1094 C11H14N3O2- 1 220.1092 1.05
+  222.1242 C11H16N3O2- 2 222.1248 -2.84
+  225.1344 C9H21O6- 2 225.1344 0.17
+  227.0814 C11H9N5O- 1 227.0813 0.53
+  229.1346 C14H17N2O- 2 229.1346 0
+  236.1397 C10H16N6O- 2 236.1391 2.63
+  239.1504 C10H23O6- 3 239.15 1.55
+  240.1352 C9H16N6O2- 2 240.134 4.78
+  250.1227 C15H14N4- 2 250.1224 1.24
+  252.1711 C13H22N3O2- 2 252.1718 -2.44
+  254.1875 C13H24N3O2- 2 254.1874 0.48
+  266.1019 C10H18O8- 3 266.1007 4.49
+  279.1818 C13H27O6- 3 279.1813 1.63
+  280.1654 C12H20N6O2- 2 280.1653 0.44
+  289.1674 C15H21N4O2- 3 289.167 1.41
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+  348.2055 C19H28N2O4- 3 348.2055 0.25
+  407.242 C19H31N6O4- 4 407.2412 2
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+  407.242 27714.1 53
+//
diff --git a/Eawag/MSBNK-EAWAG-ED092358.txt b/Eawag/MSBNK-EAWAG-ED092358.txt
new file mode 100644
index 0000000000..1d1e9d26b1
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED092358.txt
@@ -0,0 +1,239 @@
+ACCESSION: MSBNK-EAWAG-ED092358
+RECORD_TITLE: Nostocyclopeptide A2; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1021/np000316k
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 923
+CH$NAME: Nostocyclopeptide A2
+CH$NAME: 3-[(3S,6S,9R,15S,18S,21S,23S)-18-benzyl-6-[(2S)-butan-2-yl]-3-(hydroxymethyl)-15-[(4-hydroxyphenyl)methyl]-23-methyl-2,5,8,11,14,20-hexaoxo-1,4,7,10,13,16,19-heptazabicyclo[19.3.0]tetracos-16-en-9-yl]propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C40H54N8O9
+CH$EXACT_MASS: 790.4013753
+CH$SMILES: CC[C@@H]([C@H]1C(N[C@@H](CO)C(N2C[C@@H](C)C[C@H]2C(N[C@@H](CC3=CC=CC=C3)/C=N\[C@@H](CC4=CC=C(O)C=C4)C(NCC(N[C@H](CCC(N)=O)C(N1)=O)=O)=O)=O)=O)=O)C
+CH$IUPAC: InChI=1S/C40H54N8O9/c1-4-24(3)35-39(56)46-31(22-49)40(57)48-21-23(2)16-32(48)38(55)44-27(17-25-8-6-5-7-9-25)19-42-30(18-26-10-12-28(50)13-11-26)36(53)43-20-34(52)45-29(37(54)47-35)14-15-33(41)51/h5-13,19,23-24,27,29-32,35,49-50H,4,14-18,20-22H2,1-3H3,(H2,41,51)(H,43,53)(H,44,55)(H,45,52)(H,46,56)(H,47,54)/b42-19-/t23-,24-,27-,29+,30-,31-,32-,35-/m0/s1
+CH$LINK: CHEBI 80054
+CH$LINK: PUBCHEM CID:10509499
+CH$LINK: INCHIKEY OYHPNVXZUBWKJE-NDJHOONXSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 82-826
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.895 min
+MS$FOCUSED_ION: BASE_PEAK 273.1237
+MS$FOCUSED_ION: PRECURSOR_M/Z 789.3941
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0170-1900000000-cd41dcda3cee1db32be2
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
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+  84.009 C3H2NO2- 1 84.0091 -0.71
+  85.0406 C3H5N2O- 1 85.0407 -1.74
+  91.0553 C7H7- 1 91.0553 -0.38
+  93.0345 C6H5O- 1 93.0346 -0.8
+  94.0299 C5H4NO- 1 94.0298 0.68
+  95.025 C4H3N2O- 1 95.0251 -0.45
+  96.033 C4H4N2O- 1 96.0329 1.03
+  96.0455 C5H6NO- 1 96.0455 -0.27
+  97.0045 C3HN2O2- 1 97.0044 1.7
+  97.0404 C4H5N2O- 1 97.0407 -3.1
+  98.0121 C3H2N2O2- 1 98.0122 -0.65
+  98.0249 C4H4NO2- 1 98.0248 1.42
+  99.0199 C3H3N2O2- 1 99.02 -1.49
+  99.0565 C4H7N2O- 1 99.0564 1.43
+  108.0326 C5H4N2O- 1 108.0329 -2.92
+  109.0406 C5H5N2O- 1 109.0407 -0.94
+  110.012 C4H2N2O2- 1 110.0122 -1.78
+  111.02 C4H3N2O2- 1 111.02 -0.4
+  111.0568 C5H7N2O- 1 111.0564 3.51
+  112.0278 C4H4N2O2- 1 112.0278 -0.62
+  112.0518 C4H6N3O- 1 112.0516 1.24
+  113.0355 C4H5N2O2- 1 113.0357 -1.04
+  116.0508 C8H6N- 1 116.0506 1.94
+  117.071 C9H9- 1 117.071 0.35
+  118.066 C8H8N- 1 118.0662 -2.14
+  119.05 C8H7O- 1 119.0502 -1.99
+  122.0361 C5H4N3O- 1 122.036 1.1
+  123.0204 C5H3N2O2- 1 123.02 2.85
+  123.0561 C6H7N2O- 1 123.0564 -2.37
+  124.0403 C6H6NO2- 1 124.0404 -1.21
+  124.052 C5H6N3O- 1 124.0516 3.25
+  124.0769 C7H10NO- 1 124.0768 1.24
+  125.0356 C5H5N2O2- 1 125.0357 -0.29
+  126.0198 C5H4NO3- 1 126.0197 1.26
+  126.0674 C5H8N3O- 1 126.0673 1.04
+  127.0511 C5H7N2O2- 1 127.0513 -1.75
+  127.0875 C6H11N2O- 1 127.0877 -1.21
+  128.0464 C4H6N3O2- 1 128.0466 -1.29
+  128.072 C6H10NO2- 1 128.0717 2.59
+  129.1032 C6H13N2O- 1 129.1033 -0.9
+  130.0621 C4H8N3O2- 1 130.0622 -1.04
+  131.0378 C8H5NO- 1 131.0377 1.04
+  132.0586 C9H8O- 1 132.0581 4
+  136.0281 C6H4N2O2- 1 136.0278 1.89
+  136.1129 C9H14N- 1 136.1132 -1.96
+  137.0721 C7H9N2O- 1 137.072 0.75
+  139.0511 C6H7N2O2- 1 139.0513 -1.23
+  139.0874 C7H11N2O- 1 139.0877 -2.06
+  140.0471 C5H6N3O2- 1 140.0466 4.06
+  140.0714 C7H10NO2- 1 140.0717 -2.08
+  141.103 C7H13N2O- 1 141.1033 -2.72
+  143.1191 C7H15N2O- 1 143.119 0.5
+  144.0458 C9H6NO- 1 144.0455 1.99
+  144.0799 C7H12O3- 1 144.0792 4.86
+  149.0354 C7H5N2O2- 1 149.0357 -1.41
+  149.0714 C8H9N2O- 2 149.072 -4.14
+  151.0869 C8H11N2O- 2 151.0877 -4.92
+  152.0468 C6H6N3O2- 1 152.0466 1.95
+  152.0707 C6H8N4O- 1 152.0704 2.52
+  153.0666 C7H9N2O2- 1 153.067 -2.33
+  153.1029 C8H13N2O- 1 153.1033 -2.79
+  154.0619 C6H8N3O2- 1 154.0622 -2.06
+  155.0328 C3H3N6O2- 1 155.0323 3.55
+  155.0824 C7H11N2O2- 1 155.0826 -1.34
+  156.0417 C5H6N3O3- 1 156.0415 1.61
+  156.0788 C8H12O3- 1 156.0792 -2.36
+  158.0605 C10H8NO- 2 158.0611 -4.19
+  159.0684 C10H9NO- 2 159.069 -3.55
+  166.0609 C5H6N6O- 1 166.0609 0.29
+  166.098 C8H12N3O- 2 166.0986 -3.72
+  167.082 C8H11N2O2- 2 167.0826 -3.34
+  168.1139 C8H14N3O- 1 168.1142 -2.23
+  169.0975 C6H11N5O- 2 169.0969 3.64
+  177.0664 C9H9N2O2- 2 177.067 -2.85
+  179.0827 C9H11N2O2- 1 179.0826 0.41
+  179.1188 C10H15N2O- 1 179.119 -0.83
+  180.1027 C10H14NO2- 1 180.103 -1.6
+  181.0976 C9H13N2O2- 2 181.0983 -3.38
+  182.057 C7H8N3O3- 1 182.0571 -0.41
+  183.0902 C9H13NO3- 1 183.0901 0.53
+  184.1083 C6H12N6O- 2 184.1078 2.71
+  185.0721 C11H9N2O- 1 185.072 0.21
+  186.1241 C6H14N6O- 2 186.1235 3.28
+  187.087 C9H9N5- 2 187.0863 3.25
+  195.1136 C10H15N2O2- 1 195.1139 -1.45
+  196.1087 C7H12N6O- 2 196.1078 4.78
+  196.145 C8H16N6- 2 196.1442 4.03
+  199.0863 C10H9N5- 1 199.0863 -0.08
+  201.0662 C9H7N5O- 2 201.0656 2.96
+  201.0997 C7H13N4O3- 2 201.0993 2.13
+  222.1247 C11H16N3O2- 1 222.1248 -0.3
+  225.1351 C9H21O6- 3 225.1344 3.35
+  227.0823 C11H9N5O- 2 227.0813 4.63
+  229.1344 C14H17N2O- 3 229.1346 -1.13
+  239.1503 C10H23O6- 3 239.15 1.1
+  279.1819 C13H27O6- 3 279.1813 2.28
+  280.1662 C12H20N6O2- 3 280.1653 3.27
+PK$NUM_PEAK: 98
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+  280.1662 30502.8 73
+//
diff --git a/Eawag/MSBNK-EAWAG-ED092359.txt b/Eawag/MSBNK-EAWAG-ED092359.txt
new file mode 100644
index 0000000000..67bbabb9b0
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED092359.txt
@@ -0,0 +1,181 @@
+ACCESSION: MSBNK-EAWAG-ED092359
+RECORD_TITLE: Nostocyclopeptide A2; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1021/np000316k
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 923
+CH$NAME: Nostocyclopeptide A2
+CH$NAME: 3-[(3S,6S,9R,15S,18S,21S,23S)-18-benzyl-6-[(2S)-butan-2-yl]-3-(hydroxymethyl)-15-[(4-hydroxyphenyl)methyl]-23-methyl-2,5,8,11,14,20-hexaoxo-1,4,7,10,13,16,19-heptazabicyclo[19.3.0]tetracos-16-en-9-yl]propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C40H54N8O9
+CH$EXACT_MASS: 790.4013753
+CH$SMILES: CC[C@@H]([C@H]1C(N[C@@H](CO)C(N2C[C@@H](C)C[C@H]2C(N[C@@H](CC3=CC=CC=C3)/C=N\[C@@H](CC4=CC=C(O)C=C4)C(NCC(N[C@H](CCC(N)=O)C(N1)=O)=O)=O)=O)=O)=O)C
+CH$IUPAC: InChI=1S/C40H54N8O9/c1-4-24(3)35-39(56)46-31(22-49)40(57)48-21-23(2)16-32(48)38(55)44-27(17-25-8-6-5-7-9-25)19-42-30(18-26-10-12-28(50)13-11-26)36(53)43-20-34(52)45-29(37(54)47-35)14-15-33(41)51/h5-13,19,23-24,27,29-32,35,49-50H,4,14-18,20-22H2,1-3H3,(H2,41,51)(H,43,53)(H,44,55)(H,45,52)(H,46,56)(H,47,54)/b42-19-/t23-,24-,27-,29+,30-,31-,32-,35-/m0/s1
+CH$LINK: CHEBI 80054
+CH$LINK: PUBCHEM CID:10509499
+CH$LINK: INCHIKEY OYHPNVXZUBWKJE-NDJHOONXSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 82-826
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.895 min
+MS$FOCUSED_ION: BASE_PEAK 273.1237
+MS$FOCUSED_ION: PRECURSOR_M/Z 789.3941
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-00os-2900000000-6925c55cc9639f26aa95
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  83.0251 C3H3N2O- 1 83.0251 -0.07
+  84.0091 C3H2NO2- 1 84.0091 -0.53
+  85.0407 C3H5N2O- 1 85.0407 -0.75
+  91.0557 C7H7- 1 91.0553 3.73
+  93.0345 C6H5O- 1 93.0346 -0.55
+  95.025 C4H3N2O- 1 95.0251 -0.93
+  96.0329 C4H4N2O- 1 96.0329 -0.08
+  97.0046 C3HN2O2- 1 97.0044 2.49
+  97.0407 C4H5N2O- 1 97.0407 -0.51
+  98.0121 C3H2N2O2- 1 98.0122 -0.88
+  98.0246 C4H4NO2- 1 98.0248 -1.54
+  99.0198 C3H3N2O2- 1 99.02 -1.64
+  99.0564 C4H7N2O- 1 99.0564 0.5
+  108.0329 C5H4N2O- 1 108.0329 -0.38
+  109.0408 C5H5N2O- 1 109.0407 0.18
+  110.0123 C4H2N2O2- 1 110.0122 0.93
+  111.0199 C4H3N2O2- 1 111.02 -0.54
+  111.0564 C5H7N2O- 1 111.0564 -0.07
+  112.028 C4H4N2O2- 1 112.0278 1.22
+  112.0519 C4H6N3O- 1 112.0516 2.05
+  113.0356 C4H5N2O2- 1 113.0357 -0.77
+  116.0509 C8H6N- 1 116.0506 2.59
+  117.071 C9H9- 1 117.071 0.35
+  118.0659 C8H8N- 1 118.0662 -2.4
+  119.0502 C8H7O- 1 119.0502 -0.39
+  122.0362 C5H4N3O- 1 122.036 1.73
+  122.0486 C6H6N2O- 1 122.0486 0.64
+  123.0559 C6H7N2O- 1 123.0564 -4.36
+  124.0404 C6H6NO2- 1 124.0404 -0.04
+  125.0355 C5H5N2O2- 1 125.0357 -0.84
+  126.0675 C5H8N3O- 1 126.0673 1.47
+  127.0511 C5H7N2O2- 1 127.0513 -1.27
+  127.0875 C6H11N2O- 1 127.0877 -1.27
+  128.0462 C4H6N3O2- 1 128.0466 -2.37
+  128.0716 C6H10NO2- 1 128.0717 -0.62
+  129.1033 C6H13N2O- 1 129.1033 -0.31
+  130.0621 C4H8N3O2- 1 130.0622 -0.93
+  131.0378 C8H5NO- 1 131.0377 0.69
+  132.0584 C9H8O- 1 132.0581 2.61
+  137.0355 C6H5N2O2- 1 137.0357 -1.08
+  137.072 C7H9N2O- 1 137.072 -0.25
+  139.0513 C6H7N2O2- 1 139.0513 -0.02
+  139.0874 C7H11N2O- 1 139.0877 -1.74
+  139.1005 C8H13NO- 1 139.1003 1.53
+  141.1032 C7H13N2O- 1 141.1033 -0.67
+  144.0455 C9H6NO- 1 144.0455 0.19
+  149.0357 C7H5N2O2- 1 149.0357 0.22
+  149.0715 C8H9N2O- 1 149.072 -3.32
+  151.0874 C8H11N2O- 1 151.0877 -1.69
+  152.0707 C6H8N4O- 1 152.0704 1.91
+  153.0667 C7H9N2O2- 1 153.067 -1.63
+  153.1033 C8H13N2O- 1 153.1033 -0.09
+  154.062 C6H8N3O2- 1 154.0622 -1.57
+  155.0828 C7H11N2O2- 1 155.0826 1.51
+  158.0614 C10H8NO- 1 158.0611 1.6
+  159.0687 C10H9NO- 1 159.069 -1.72
+  166.0611 C5H6N6O- 1 166.0609 1.76
+  166.098 C8H12N3O- 2 166.0986 -3.62
+  167.082 C8H11N2O2- 2 167.0826 -3.62
+  168.1136 C8H14N3O- 2 168.1142 -3.77
+  179.082 C9H11N2O2- 2 179.0826 -3.34
+  179.1188 C10H15N2O- 1 179.119 -1.09
+  184.1086 C6H12N6O- 2 184.1078 4.37
+  186.1241 C6H14N6O- 2 186.1235 3.37
+  187.0868 C9H9N5- 2 187.0863 2.52
+  196.1085 C7H12N6O- 2 196.1078 3.77
+  199.0872 C10H9N5- 2 199.0863 4.13
+  222.1242 C11H16N3O2- 2 222.1248 -2.56
+  225.1352 C9H21O6- 3 225.1344 3.63
+PK$NUM_PEAK: 69
+PK$PEAK: m/z int. rel.int.
+  83.0251 75117.7 289
+  84.0091 85228.2 328
+  85.0407 56868.1 219
+  91.0557 29135.5 112
+  93.0345 101583.8 391
+  95.025 174598.4 673
+  96.0329 15566.9 60
+  97.0046 32056.1 123
+  97.0407 80697.9 311
+  98.0121 20665.2 79
+  98.0246 9839.6 37
+  99.0198 192833.9 743
+  99.0564 18953.9 73
+  108.0329 65107 251
+  109.0408 107708.6 415
+  110.0123 28582.6 110
+  111.0199 77345.2 298
+  111.0564 20707.4 79
+  112.028 40280.3 155
+  112.0519 31096.6 119
+  113.0356 119182.7 459
+  116.0509 22077.5 85
+  117.071 13644.5 52
+  118.0659 62886.4 242
+  119.0502 72453.3 279
+  122.0362 22860.2 88
+  122.0486 19426.2 74
+  123.0559 53374.6 205
+  124.0404 24344.1 93
+  125.0355 104054.2 401
+  126.0675 24650.7 95
+  127.0511 248606.7 958
+  127.0875 259096.9 999
+  128.0462 13106.8 50
+  128.0716 17624.6 67
+  129.1033 106665.9 411
+  130.0621 73949 285
+  131.0378 31489.5 121
+  132.0584 32336.7 124
+  137.0355 13334 51
+  137.072 14820.7 57
+  139.0513 20826.2 80
+  139.0874 230387.6 888
+  139.1005 14672.9 56
+  141.1032 54290.9 209
+  144.0455 19525.1 75
+  149.0357 9456.7 36
+  149.0715 50814.4 195
+  151.0874 77861.5 300
+  152.0707 13994.6 53
+  153.0667 50254.9 193
+  153.1033 26141.9 100
+  154.062 9921.9 38
+  155.0828 39857.5 153
+  158.0614 16303.7 62
+  159.0687 31945.9 123
+  166.0611 18985.9 73
+  166.098 160721.5 619
+  167.082 235439.9 907
+  168.1136 83719.4 322
+  179.082 16272.3 62
+  179.1188 27962.4 107
+  184.1086 51823.2 199
+  186.1241 58658.2 226
+  187.0868 77922.2 300
+  196.1085 13259.9 51
+  199.0872 33373.4 128
+  222.1242 27843.5 107
+  225.1352 17315.9 66
+//
diff --git a/Eawag/MSBNK-EAWAG-ED093901.txt b/Eawag/MSBNK-EAWAG-ED093901.txt
new file mode 100644
index 0000000000..0e0020be77
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED093901.txt
@@ -0,0 +1,51 @@
+ACCESSION: MSBNK-EAWAG-ED093901
+RECORD_TITLE: Planktocyclin; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.05.01
+AUTHORS: E. Janssen [dtc], V. Rouge [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 939
+CH$NAME: Planktocyclin
+CH$NAME: (3S,9S,12S,15S,18S,24S)-9-benzyl-18-(2-methylpropyl)-12-(2-methylsulfanylethyl)-3,15-di(propan-2-yl)-1,4,7,10,13,16,19,22-octazabicyclo[22.3.0]heptacosane-2,5,8,11,14,17,20,23-octone
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C39H60N8O8S
+CH$EXACT_MASS: 800.4254819
+CH$SMILES: CC(C)C[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)NCC(=O)N1)C(C)C)CC3=CC=CC=C3)CCSC)C(C)C
+CH$IUPAC: InChI=1S/C39H60N8O8S/c1-22(2)18-27-36(52)46-32(23(3)4)38(54)43-26(15-17-56-7)35(51)44-28(19-25-12-9-8-10-13-25)34(50)40-21-31(49)45-33(24(5)6)39(55)47-16-11-14-29(47)37(53)41-20-30(48)42-27/h8-10,12-13,22-24,26-29,32-33H,11,14-21H2,1-7H3,(H,40,50)(H,41,53)(H,42,48)(H,43,54)(H,44,51)(H,45,49)(H,46,52)/t26-,27-,28-,29-,32-,33-/m0/s1
+CH$LINK: CHEBI 227725
+CH$LINK: PUBCHEM CID:23655167
+CH$LINK: INCHIKEY ZMRRRONVXWEVSB-ODNAPOIPSA-N
+CH$LINK: CHEMSPIDER 23310478
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 83-838
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.401 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 801.4328
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0udi-0000000090-2b12776f2531145109ee
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  702.3633 C39H50N4O8+ 4 702.3623 1.36
+  773.4368 C38H61N8O7S+ 1 773.4378 -1.29
+  783.4249 C39H59N8O7S+ 1 783.4222 3.46
+  801.4313 C39H61N8O8S+ 1 801.4328 -1.76
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  702.3633 33343.2 23
+  773.4368 58888.9 41
+  783.4249 14489.5 10
+  801.4313 1415513.5 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED093902.txt b/Eawag/MSBNK-EAWAG-ED093902.txt
new file mode 100644
index 0000000000..cc267c9ad6
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED093902.txt
@@ -0,0 +1,51 @@
+ACCESSION: MSBNK-EAWAG-ED093902
+RECORD_TITLE: Planktocyclin; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.05.01
+AUTHORS: E. Janssen [dtc], V. Rouge [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 939
+CH$NAME: Planktocyclin
+CH$NAME: (3S,9S,12S,15S,18S,24S)-9-benzyl-18-(2-methylpropyl)-12-(2-methylsulfanylethyl)-3,15-di(propan-2-yl)-1,4,7,10,13,16,19,22-octazabicyclo[22.3.0]heptacosane-2,5,8,11,14,17,20,23-octone
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C39H60N8O8S
+CH$EXACT_MASS: 800.4254819
+CH$SMILES: CC(C)C[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)NCC(=O)N1)C(C)C)CC3=CC=CC=C3)CCSC)C(C)C
+CH$IUPAC: InChI=1S/C39H60N8O8S/c1-22(2)18-27-36(52)46-32(23(3)4)38(54)43-26(15-17-56-7)35(51)44-28(19-25-12-9-8-10-13-25)34(50)40-21-31(49)45-33(24(5)6)39(55)47-16-11-14-29(47)37(53)41-20-30(48)42-27/h8-10,12-13,22-24,26-29,32-33H,11,14-21H2,1-7H3,(H,40,50)(H,41,53)(H,42,48)(H,43,54)(H,44,51)(H,45,49)(H,46,52)/t26-,27-,28-,29-,32-,33-/m0/s1
+CH$LINK: CHEBI 227725
+CH$LINK: PUBCHEM CID:23655167
+CH$LINK: INCHIKEY ZMRRRONVXWEVSB-ODNAPOIPSA-N
+CH$LINK: CHEMSPIDER 23310478
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 83-838
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.401 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 801.4328
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0udi-0000000590-bcac85485c5c95241491
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  498.274 C29H34N6O2+ 7 498.2738 0.38
+  702.3626 C39H50N4O8+ 4 702.3623 0.41
+  773.4375 C38H61N8O7S+ 1 773.4378 -0.5
+  801.432 C39H61N8O8S+ 1 801.4328 -0.92
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  498.274 48716.1 89
+  702.3626 160500.9 293
+  773.4375 148817.3 272
+  801.432 546445.2 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED093903.txt b/Eawag/MSBNK-EAWAG-ED093903.txt
new file mode 100644
index 0000000000..2fb4ac1d07
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED093903.txt
@@ -0,0 +1,55 @@
+ACCESSION: MSBNK-EAWAG-ED093903
+RECORD_TITLE: Planktocyclin; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.05.01
+AUTHORS: E. Janssen [dtc], V. Rouge [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 939
+CH$NAME: Planktocyclin
+CH$NAME: (3S,9S,12S,15S,18S,24S)-9-benzyl-18-(2-methylpropyl)-12-(2-methylsulfanylethyl)-3,15-di(propan-2-yl)-1,4,7,10,13,16,19,22-octazabicyclo[22.3.0]heptacosane-2,5,8,11,14,17,20,23-octone
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C39H60N8O8S
+CH$EXACT_MASS: 800.4254819
+CH$SMILES: CC(C)C[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)NCC(=O)N1)C(C)C)CC3=CC=CC=C3)CCSC)C(C)C
+CH$IUPAC: InChI=1S/C39H60N8O8S/c1-22(2)18-27-36(52)46-32(23(3)4)38(54)43-26(15-17-56-7)35(51)44-28(19-25-12-9-8-10-13-25)34(50)40-21-31(49)45-33(24(5)6)39(55)47-16-11-14-29(47)37(53)41-20-30(48)42-27/h8-10,12-13,22-24,26-29,32-33H,11,14-21H2,1-7H3,(H,40,50)(H,41,53)(H,42,48)(H,43,54)(H,44,51)(H,45,49)(H,46,52)/t26-,27-,28-,29-,32-,33-/m0/s1
+CH$LINK: CHEBI 227725
+CH$LINK: PUBCHEM CID:23655167
+CH$LINK: INCHIKEY ZMRRRONVXWEVSB-ODNAPOIPSA-N
+CH$LINK: CHEMSPIDER 23310478
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 83-838
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.401 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 801.4328
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-014i-0039000330-28c4938a08b9f31ce4f8
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  268.1643 C11H20N6O2+ 4 268.1642 0.25
+  336.137 C16H22N3O3S+ 5 336.1376 -1.91
+  339.2382 C17H31N4O3+ 5 339.2391 -2.58
+  367.2331 C24H33NS+ 7 367.2328 0.62
+  773.4376 C38H61N8O7S+ 1 773.4378 -0.34
+  801.4312 C39H61N8O8S+ 1 801.4328 -1.99
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  268.1643 69496.2 718
+  336.137 18061.4 186
+  339.2382 49468.7 511
+  367.2331 96630.2 999
+  773.4376 68463.4 707
+  801.4312 61311.1 633
+//
diff --git a/Eawag/MSBNK-EAWAG-ED093904.txt b/Eawag/MSBNK-EAWAG-ED093904.txt
new file mode 100644
index 0000000000..02767cd563
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED093904.txt
@@ -0,0 +1,53 @@
+ACCESSION: MSBNK-EAWAG-ED093904
+RECORD_TITLE: Planktocyclin; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.05.01
+AUTHORS: E. Janssen [dtc], V. Rouge [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 939
+CH$NAME: Planktocyclin
+CH$NAME: (3S,9S,12S,15S,18S,24S)-9-benzyl-18-(2-methylpropyl)-12-(2-methylsulfanylethyl)-3,15-di(propan-2-yl)-1,4,7,10,13,16,19,22-octazabicyclo[22.3.0]heptacosane-2,5,8,11,14,17,20,23-octone
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C39H60N8O8S
+CH$EXACT_MASS: 800.4254819
+CH$SMILES: CC(C)C[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)NCC(=O)N1)C(C)C)CC3=CC=CC=C3)CCSC)C(C)C
+CH$IUPAC: InChI=1S/C39H60N8O8S/c1-22(2)18-27-36(52)46-32(23(3)4)38(54)43-26(15-17-56-7)35(51)44-28(19-25-12-9-8-10-13-25)34(50)40-21-31(49)45-33(24(5)6)39(55)47-16-11-14-29(47)37(53)41-20-30(48)42-27/h8-10,12-13,22-24,26-29,32-33H,11,14-21H2,1-7H3,(H,40,50)(H,41,53)(H,42,48)(H,43,54)(H,44,51)(H,45,49)(H,46,52)/t26-,27-,28-,29-,32-,33-/m0/s1
+CH$LINK: CHEBI 227725
+CH$LINK: PUBCHEM CID:23655167
+CH$LINK: INCHIKEY ZMRRRONVXWEVSB-ODNAPOIPSA-N
+CH$LINK: CHEMSPIDER 23310478
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 83-838
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.401 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 801.4328
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-014i-0394200000-c138d9d37992734b89e8
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  155.0813 C7H11N2O2+ 1 155.0815 -1.32
+  268.1644 C11H20N6O2+ 4 268.1642 0.48
+  367.2329 C24H33NS+ 7 367.2328 0.21
+  407.2097 C26H25N5+ 7 407.2104 -1.84
+  422.2759 C21H36N5O4+ 7 422.2762 -0.71
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  155.0813 58166.7 379
+  268.1644 153102.4 999
+  367.2329 82988.8 541
+  407.2097 25455.4 166
+  422.2759 15853.5 103
+//
diff --git a/Eawag/MSBNK-EAWAG-ED093905.txt b/Eawag/MSBNK-EAWAG-ED093905.txt
new file mode 100644
index 0000000000..70924cb566
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED093905.txt
@@ -0,0 +1,53 @@
+ACCESSION: MSBNK-EAWAG-ED093905
+RECORD_TITLE: Planktocyclin; LC-ESI-QFT; MS2; CE: 35%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.05.01
+AUTHORS: E. Janssen [dtc], V. Rouge [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 939
+CH$NAME: Planktocyclin
+CH$NAME: (3S,9S,12S,15S,18S,24S)-9-benzyl-18-(2-methylpropyl)-12-(2-methylsulfanylethyl)-3,15-di(propan-2-yl)-1,4,7,10,13,16,19,22-octazabicyclo[22.3.0]heptacosane-2,5,8,11,14,17,20,23-octone
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C39H60N8O8S
+CH$EXACT_MASS: 800.4254819
+CH$SMILES: CC(C)C[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)NCC(=O)N1)C(C)C)CC3=CC=CC=C3)CCSC)C(C)C
+CH$IUPAC: InChI=1S/C39H60N8O8S/c1-22(2)18-27-36(52)46-32(23(3)4)38(54)43-26(15-17-56-7)35(51)44-28(19-25-12-9-8-10-13-25)34(50)40-21-31(49)45-33(24(5)6)39(55)47-16-11-14-29(47)37(53)41-20-30(48)42-27/h8-10,12-13,22-24,26-29,32-33H,11,14-21H2,1-7H3,(H,40,50)(H,41,53)(H,42,48)(H,43,54)(H,44,51)(H,45,49)(H,46,52)/t26-,27-,28-,29-,32-,33-/m0/s1
+CH$LINK: CHEBI 227725
+CH$LINK: PUBCHEM CID:23655167
+CH$LINK: INCHIKEY ZMRRRONVXWEVSB-ODNAPOIPSA-N
+CH$LINK: CHEMSPIDER 23310478
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 35 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 83-838
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.401 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 801.4328
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0670-1693000000-2cd94a023396cd11ca97
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  86.0964 C5H12N+ 1 86.0964 -0.62
+  155.0811 C7H11N2O2+ 1 155.0815 -2.69
+  268.1642 C11H20N6O2+ 4 268.1642 -0.09
+  336.1379 C16H22N3O3S+ 6 336.1376 0.73
+  339.2382 C17H31N4O3+ 5 339.2391 -2.58
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  86.0964 22305.8 125
+  155.0811 122461.7 687
+  268.1642 177929.4 999
+  336.1379 23201.6 130
+  339.2382 54370.9 305
+//
diff --git a/Eawag/MSBNK-EAWAG-ED093906.txt b/Eawag/MSBNK-EAWAG-ED093906.txt
new file mode 100644
index 0000000000..9399e9d3ed
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED093906.txt
@@ -0,0 +1,55 @@
+ACCESSION: MSBNK-EAWAG-ED093906
+RECORD_TITLE: Planktocyclin; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.05.01
+AUTHORS: E. Janssen [dtc], V. Rouge [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 939
+CH$NAME: Planktocyclin
+CH$NAME: (3S,9S,12S,15S,18S,24S)-9-benzyl-18-(2-methylpropyl)-12-(2-methylsulfanylethyl)-3,15-di(propan-2-yl)-1,4,7,10,13,16,19,22-octazabicyclo[22.3.0]heptacosane-2,5,8,11,14,17,20,23-octone
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C39H60N8O8S
+CH$EXACT_MASS: 800.4254819
+CH$SMILES: CC(C)C[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)NCC(=O)N1)C(C)C)CC3=CC=CC=C3)CCSC)C(C)C
+CH$IUPAC: InChI=1S/C39H60N8O8S/c1-22(2)18-27-36(52)46-32(23(3)4)38(54)43-26(15-17-56-7)35(51)44-28(19-25-12-9-8-10-13-25)34(50)40-21-31(49)45-33(24(5)6)39(55)47-16-11-14-29(47)37(53)41-20-30(48)42-27/h8-10,12-13,22-24,26-29,32-33H,11,14-21H2,1-7H3,(H,40,50)(H,41,53)(H,42,48)(H,43,54)(H,44,51)(H,45,49)(H,46,52)/t26-,27-,28-,29-,32-,33-/m0/s1
+CH$LINK: CHEBI 227725
+CH$LINK: PUBCHEM CID:23655167
+CH$LINK: INCHIKEY ZMRRRONVXWEVSB-ODNAPOIPSA-N
+CH$LINK: CHEMSPIDER 23310478
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 83-838
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.401 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 801.4328
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0aor-1960000000-c6c75c44761810e590a3
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  86.0963 C5H12N+ 1 86.0964 -1.77
+  127.0869 C6H11N2O+ 2 127.0866 2.12
+  155.081 C7H11N2O2+ 1 155.0815 -3.18
+  251.1205 C5H15N8O4+ 4 251.1211 -2.28
+  268.1643 C11H20N6O2+ 4 268.1642 0.37
+  367.233 C24H33NS+ 7 367.2328 0.46
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  86.0963 40131.1 196
+  127.0869 19535.5 95
+  155.081 203994 999
+  251.1205 25420 124
+  268.1643 128934 631
+  367.233 20384.8 99
+//
diff --git a/Eawag/MSBNK-EAWAG-ED093907.txt b/Eawag/MSBNK-EAWAG-ED093907.txt
new file mode 100644
index 0000000000..d46df6b3cc
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED093907.txt
@@ -0,0 +1,51 @@
+ACCESSION: MSBNK-EAWAG-ED093907
+RECORD_TITLE: Planktocyclin; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.05.01
+AUTHORS: E. Janssen [dtc], V. Rouge [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 939
+CH$NAME: Planktocyclin
+CH$NAME: (3S,9S,12S,15S,18S,24S)-9-benzyl-18-(2-methylpropyl)-12-(2-methylsulfanylethyl)-3,15-di(propan-2-yl)-1,4,7,10,13,16,19,22-octazabicyclo[22.3.0]heptacosane-2,5,8,11,14,17,20,23-octone
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C39H60N8O8S
+CH$EXACT_MASS: 800.4254819
+CH$SMILES: CC(C)C[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)NCC(=O)N1)C(C)C)CC3=CC=CC=C3)CCSC)C(C)C
+CH$IUPAC: InChI=1S/C39H60N8O8S/c1-22(2)18-27-36(52)46-32(23(3)4)38(54)43-26(15-17-56-7)35(51)44-28(19-25-12-9-8-10-13-25)34(50)40-21-31(49)45-33(24(5)6)39(55)47-16-11-14-29(47)37(53)41-20-30(48)42-27/h8-10,12-13,22-24,26-29,32-33H,11,14-21H2,1-7H3,(H,40,50)(H,41,53)(H,42,48)(H,43,54)(H,44,51)(H,45,49)(H,46,52)/t26-,27-,28-,29-,32-,33-/m0/s1
+CH$LINK: CHEBI 227725
+CH$LINK: PUBCHEM CID:23655167
+CH$LINK: INCHIKEY ZMRRRONVXWEVSB-ODNAPOIPSA-N
+CH$LINK: CHEMSPIDER 23310478
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 83-838
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.401 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 801.4328
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0a4i-1910000000-7d45aa7bcd9734f89360
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  86.0963 C5H12N+ 1 86.0964 -0.98
+  120.0809 C8H10N+ 2 120.0808 1.36
+  155.0811 C7H11N2O2+ 1 155.0815 -2.69
+  268.164 C11H20N6O2+ 4 268.1642 -1
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  86.0963 69006.2 228
+  120.0809 16229.6 53
+  155.0811 302218.2 999
+  268.164 44473.3 147
+//
diff --git a/Eawag/MSBNK-EAWAG-ED093908.txt b/Eawag/MSBNK-EAWAG-ED093908.txt
new file mode 100644
index 0000000000..a754b0917c
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED093908.txt
@@ -0,0 +1,53 @@
+ACCESSION: MSBNK-EAWAG-ED093908
+RECORD_TITLE: Planktocyclin; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.05.01
+AUTHORS: E. Janssen [dtc], V. Rouge [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 939
+CH$NAME: Planktocyclin
+CH$NAME: (3S,9S,12S,15S,18S,24S)-9-benzyl-18-(2-methylpropyl)-12-(2-methylsulfanylethyl)-3,15-di(propan-2-yl)-1,4,7,10,13,16,19,22-octazabicyclo[22.3.0]heptacosane-2,5,8,11,14,17,20,23-octone
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C39H60N8O8S
+CH$EXACT_MASS: 800.4254819
+CH$SMILES: CC(C)C[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)NCC(=O)N1)C(C)C)CC3=CC=CC=C3)CCSC)C(C)C
+CH$IUPAC: InChI=1S/C39H60N8O8S/c1-22(2)18-27-36(52)46-32(23(3)4)38(54)43-26(15-17-56-7)35(51)44-28(19-25-12-9-8-10-13-25)34(50)40-21-31(49)45-33(24(5)6)39(55)47-16-11-14-29(47)37(53)41-20-30(48)42-27/h8-10,12-13,22-24,26-29,32-33H,11,14-21H2,1-7H3,(H,40,50)(H,41,53)(H,42,48)(H,43,54)(H,44,51)(H,45,49)(H,46,52)/t26-,27-,28-,29-,32-,33-/m0/s1
+CH$LINK: CHEBI 227725
+CH$LINK: PUBCHEM CID:23655167
+CH$LINK: INCHIKEY ZMRRRONVXWEVSB-ODNAPOIPSA-N
+CH$LINK: CHEMSPIDER 23310478
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 83-838
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.401 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 801.4328
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0a4i-1900000000-8662e8e15a754d098cf1
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  86.0964 C5H12N+ 1 86.0964 -0.44
+  104.053 C4H10NS+ 1 104.0528 1.77
+  120.0806 C8H10N+ 2 120.0808 -1.24
+  127.0862 C6H11N2O+ 1 127.0866 -2.68
+  155.0811 C7H11N2O2+ 1 155.0815 -2.89
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  86.0964 65802.7 308
+  104.053 20130.6 94
+  120.0806 31278.2 146
+  127.0862 95870.5 449
+  155.0811 212855.3 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED093909.txt b/Eawag/MSBNK-EAWAG-ED093909.txt
new file mode 100644
index 0000000000..91be7e1afb
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED093909.txt
@@ -0,0 +1,53 @@
+ACCESSION: MSBNK-EAWAG-ED093909
+RECORD_TITLE: Planktocyclin; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.05.01
+AUTHORS: E. Janssen [dtc], V. Rouge [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 939
+CH$NAME: Planktocyclin
+CH$NAME: (3S,9S,12S,15S,18S,24S)-9-benzyl-18-(2-methylpropyl)-12-(2-methylsulfanylethyl)-3,15-di(propan-2-yl)-1,4,7,10,13,16,19,22-octazabicyclo[22.3.0]heptacosane-2,5,8,11,14,17,20,23-octone
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C39H60N8O8S
+CH$EXACT_MASS: 800.4254819
+CH$SMILES: CC(C)C[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)NCC(=O)N1)C(C)C)CC3=CC=CC=C3)CCSC)C(C)C
+CH$IUPAC: InChI=1S/C39H60N8O8S/c1-22(2)18-27-36(52)46-32(23(3)4)38(54)43-26(15-17-56-7)35(51)44-28(19-25-12-9-8-10-13-25)34(50)40-21-31(49)45-33(24(5)6)39(55)47-16-11-14-29(47)37(53)41-20-30(48)42-27/h8-10,12-13,22-24,26-29,32-33H,11,14-21H2,1-7H3,(H,40,50)(H,41,53)(H,42,48)(H,43,54)(H,44,51)(H,45,49)(H,46,52)/t26-,27-,28-,29-,32-,33-/m0/s1
+CH$LINK: CHEBI 227725
+CH$LINK: PUBCHEM CID:23655167
+CH$LINK: INCHIKEY ZMRRRONVXWEVSB-ODNAPOIPSA-N
+CH$LINK: CHEMSPIDER 23310478
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 83-838
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.401 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 801.4328
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0570-1900000000-ac31c5e38b5276453ce3
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  86.0964 C5H12N+ 1 86.0964 -0.09
+  104.0528 C4H10NS+ 1 104.0528 -0.06
+  120.0808 C8H10N+ 1 120.0808 0.41
+  127.0863 C6H11N2O+ 1 127.0866 -2.26
+  155.0812 C7H11N2O2+ 1 155.0815 -1.91
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  86.0964 60825.9 501
+  104.0528 19486.2 160
+  120.0808 34674.1 285
+  127.0863 121244 999
+  155.0812 103512 852
+//
diff --git a/Eawag/MSBNK-EAWAG-ED094301.txt b/Eawag/MSBNK-EAWAG-ED094301.txt
new file mode 100644
index 0000000000..9d75de0384
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED094301.txt
@@ -0,0 +1,51 @@
+ACCESSION: MSBNK-EAWAG-ED094301
+RECORD_TITLE: Nostoginin BN741; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.aquatox.2023.106689
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 947
+CH$NAME: Nostoginin BN741
+CH$NAME: 2-[[2-[[2-[2-[[2-hydroxy-3-(methylamino)decanoyl]amino]propanoyl-methylamino]-4-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C39H59N5O9
+CH$EXACT_MASS: 741.4312785
+CH$SMILES: CCCCCCCC(C(C(NC(C(N(C)C(C(NC(CC1=CC=C(O)C=C1)C(NC(CC2=CC=C(O)C=C2)C(O)=O)=O)=O)CC(C)C)=O)C)=O)O)NC
+CH$IUPAC: InChI=1S/C39H59N5O9/c1-7-8-9-10-11-12-30(40-5)34(47)37(50)41-25(4)38(51)44(6)33(21-24(2)3)36(49)42-31(22-26-13-17-28(45)18-14-26)35(48)43-32(39(52)53)23-27-15-19-29(46)20-16-27/h13-20,24-25,30-34,40,45-47H,7-12,21-23H2,1-6H3,(H,41,50)(H,42,49)(H,43,48)(H,52,53)
+CH$LINK: PUBCHEM CID:77923722
+CH$LINK: INCHIKEY AQINXMPZZHMZRR-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 222163
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 77-778
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.836 min
+MS$FOCUSED_ION: BASE_PEAK 742.4365
+MS$FOCUSED_ION: PRECURSOR_M/Z 742.4386
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03dm-0000690700-6848d796bf917572ab4f
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  86.0963 C5H12N+ 1 86.0964 -1.24
+  448.2796 C24H38N3O5+ 2 448.2806 -2.24
+  561.3634 C30H49N4O6+ 3 561.3647 -2.21
+  742.4371 C39H60N5O9+ 1 742.4386 -1.99
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  86.0963 1390983.9 16
+  448.2796 57589620 678
+  561.3634 84799936 999
+  742.4371 73784088 869
+//
diff --git a/Eawag/MSBNK-EAWAG-ED094302.txt b/Eawag/MSBNK-EAWAG-ED094302.txt
new file mode 100644
index 0000000000..e236e8ffde
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED094302.txt
@@ -0,0 +1,73 @@
+ACCESSION: MSBNK-EAWAG-ED094302
+RECORD_TITLE: Nostoginin BN741; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.aquatox.2023.106689
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 947
+CH$NAME: Nostoginin BN741
+CH$NAME: 2-[[2-[[2-[2-[[2-hydroxy-3-(methylamino)decanoyl]amino]propanoyl-methylamino]-4-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C39H59N5O9
+CH$EXACT_MASS: 741.4312785
+CH$SMILES: CCCCCCCC(C(C(NC(C(N(C)C(C(NC(CC1=CC=C(O)C=C1)C(NC(CC2=CC=C(O)C=C2)C(O)=O)=O)=O)CC(C)C)=O)C)=O)O)NC
+CH$IUPAC: InChI=1S/C39H59N5O9/c1-7-8-9-10-11-12-30(40-5)34(47)37(50)41-25(4)38(51)44(6)33(21-24(2)3)36(49)42-31(22-26-13-17-28(45)18-14-26)35(48)43-32(39(52)53)23-27-15-19-29(46)20-16-27/h13-20,24-25,30-34,40,45-47H,7-12,21-23H2,1-6H3,(H,41,50)(H,42,49)(H,43,48)(H,52,53)
+CH$LINK: PUBCHEM CID:77923722
+CH$LINK: INCHIKEY AQINXMPZZHMZRR-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 222163
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 77-778
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.836 min
+MS$FOCUSED_ION: BASE_PEAK 742.4365
+MS$FOCUSED_ION: PRECURSOR_M/Z 742.4386
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-01ot-0100970000-bea277ca6eb303de0680
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  86.0963 C5H12N+ 1 86.0964 -1.24
+  100.112 C6H14N+ 1 100.1121 -0.82
+  140.1064 C8H14NO+ 1 140.107 -4.38
+  142.0859 C7H12NO2+ 1 142.0863 -2.37
+  146.1172 C7H16NO2+ 1 146.1176 -2.62
+  241.1904 C11H23N5O+ 2 241.1897 2.97
+  275.1742 C14H21N5O+ 2 275.1741 0.43
+  303.1694 C15H21N5O2+ 2 303.169 1.47
+  321.1801 C15H23N5O3+ 2 321.1795 1.76
+  420.284 C20H40N2O7+ 2 420.283 2.26
+  422.2646 C22H36N3O5+ 2 422.2649 -0.8
+  434.264 C23H36N3O5+ 2 434.2649 -2.12
+  448.2796 C24H38N3O5+ 2 448.2806 -2.17
+  561.3635 C30H49N4O6+ 3 561.3647 -1.99
+  742.437 C39H60N5O9+ 1 742.4386 -2.07
+PK$NUM_PEAK: 15
+PK$PEAK: m/z int. rel.int.
+  86.0963 9528973 114
+  100.112 5151087 61
+  140.1064 1633276.9 19
+  142.0859 2117188.8 25
+  146.1172 4838268 58
+  241.1904 1767195.1 21
+  275.1742 1181523.8 14
+  303.1694 7129921 85
+  321.1801 2719071 32
+  420.284 876413.7 10
+  422.2646 2042103.4 24
+  434.264 4188846.5 50
+  448.2796 83037320 999
+  561.3635 78015952 938
+  742.437 6148416 73
+//
diff --git a/Eawag/MSBNK-EAWAG-ED094303.txt b/Eawag/MSBNK-EAWAG-ED094303.txt
new file mode 100644
index 0000000000..55c96823cc
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED094303.txt
@@ -0,0 +1,89 @@
+ACCESSION: MSBNK-EAWAG-ED094303
+RECORD_TITLE: Nostoginin BN741; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.aquatox.2023.106689
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 947
+CH$NAME: Nostoginin BN741
+CH$NAME: 2-[[2-[[2-[2-[[2-hydroxy-3-(methylamino)decanoyl]amino]propanoyl-methylamino]-4-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C39H59N5O9
+CH$EXACT_MASS: 741.4312785
+CH$SMILES: CCCCCCCC(C(C(NC(C(N(C)C(C(NC(CC1=CC=C(O)C=C1)C(NC(CC2=CC=C(O)C=C2)C(O)=O)=O)=O)CC(C)C)=O)C)=O)O)NC
+CH$IUPAC: InChI=1S/C39H59N5O9/c1-7-8-9-10-11-12-30(40-5)34(47)37(50)41-25(4)38(51)44(6)33(21-24(2)3)36(49)42-31(22-26-13-17-28(45)18-14-26)35(48)43-32(39(52)53)23-27-15-19-29(46)20-16-27/h13-20,24-25,30-34,40,45-47H,7-12,21-23H2,1-6H3,(H,41,50)(H,42,49)(H,43,48)(H,52,53)
+CH$LINK: PUBCHEM CID:77923722
+CH$LINK: INCHIKEY AQINXMPZZHMZRR-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 222163
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 77-778
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.836 min
+MS$FOCUSED_ION: BASE_PEAK 742.4365
+MS$FOCUSED_ION: PRECURSOR_M/Z 742.4386
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0f6t-2814930000-08066df663c2174cd05a
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  86.0963 C5H12N+ 1 86.0964 -1.24
+  100.1119 C6H14N+ 1 100.1121 -1.58
+  130.1224 C7H16NO+ 1 130.1226 -2.09
+  131.1175 C6H15N2O+ 1 131.1179 -2.64
+  136.0758 C8H10NO+ 1 136.0757 1.05
+  140.1066 C8H14NO+ 1 140.107 -2.75
+  142.0859 C7H12NO2+ 1 142.0863 -2.8
+  146.1172 C7H16NO2+ 1 146.1176 -2.62
+  241.1904 C11H23N5O+ 2 241.1897 2.97
+  271.2013 C14H27N2O3+ 2 271.2016 -1.31
+  274.143 C14H18N4O2+ 2 274.1424 2.04
+  275.1749 C16H23N2O2+ 2 275.1754 -2.01
+  285.2163 C15H29N2O3+ 2 285.2173 -3.51
+  303.1694 C15H21N5O2+ 2 303.169 1.47
+  309.1805 C16H25N2O4+ 2 309.1809 -1.27
+  321.1801 C15H23N5O3+ 2 321.1795 1.86
+  349.1751 C16H23N5O4+ 2 349.1745 1.92
+  406.2689 C22H36N3O4+ 2 406.27 -2.91
+  420.2847 C20H40N2O7+ 2 420.283 3.93
+  430.2687 C24H36N3O4+ 2 430.27 -3.2
+  448.2796 C24H38N3O5+ 2 448.2806 -2.17
+  476.2747 C25H38N3O6+ 3 476.2755 -1.66
+  561.3634 C30H49N4O6+ 3 561.3647 -2.32
+PK$NUM_PEAK: 23
+PK$PEAK: m/z int. rel.int.
+  86.0963 16240449 394
+  100.1119 23852214 579
+  130.1224 998332.1 24
+  131.1175 962839.8 23
+  136.0758 539437.8 13
+  140.1066 6204597 150
+  142.0859 6895608 167
+  146.1172 10662220 259
+  241.1904 2127295 51
+  271.2013 793966.1 19
+  274.143 1306178.6 31
+  275.1749 3589311.2 87
+  285.2163 487891.1 11
+  303.1694 13865725 336
+  309.1805 4817784.5 117
+  321.1801 4796240.5 116
+  349.1751 1864785.1 45
+  406.2689 1397642.4 33
+  420.2847 1653483.6 40
+  430.2687 2606887.8 63
+  448.2796 41111536 999
+  476.2747 3396920 82
+  561.3634 21015820 510
+//
diff --git a/Eawag/MSBNK-EAWAG-ED094304.txt b/Eawag/MSBNK-EAWAG-ED094304.txt
new file mode 100644
index 0000000000..32793ebe65
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED094304.txt
@@ -0,0 +1,93 @@
+ACCESSION: MSBNK-EAWAG-ED094304
+RECORD_TITLE: Nostoginin BN741; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.aquatox.2023.106689
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 947
+CH$NAME: Nostoginin BN741
+CH$NAME: 2-[[2-[[2-[2-[[2-hydroxy-3-(methylamino)decanoyl]amino]propanoyl-methylamino]-4-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C39H59N5O9
+CH$EXACT_MASS: 741.4312785
+CH$SMILES: CCCCCCCC(C(C(NC(C(N(C)C(C(NC(CC1=CC=C(O)C=C1)C(NC(CC2=CC=C(O)C=C2)C(O)=O)=O)=O)CC(C)C)=O)C)=O)O)NC
+CH$IUPAC: InChI=1S/C39H59N5O9/c1-7-8-9-10-11-12-30(40-5)34(47)37(50)41-25(4)38(51)44(6)33(21-24(2)3)36(49)42-31(22-26-13-17-28(45)18-14-26)35(48)43-32(39(52)53)23-27-15-19-29(46)20-16-27/h13-20,24-25,30-34,40,45-47H,7-12,21-23H2,1-6H3,(H,41,50)(H,42,49)(H,43,48)(H,52,53)
+CH$LINK: PUBCHEM CID:77923722
+CH$LINK: INCHIKEY AQINXMPZZHMZRR-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 222163
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 77-778
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.836 min
+MS$FOCUSED_ION: BASE_PEAK 742.4365
+MS$FOCUSED_ION: PRECURSOR_M/Z 742.4386
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0udi-1911200000-3aa3cf376d2b9eebe2a4
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  86.0963 C5H12N+ 1 86.0964 -1.33
+  100.1119 C6H14N+ 1 100.1121 -1.66
+  112.112 C7H14N+ 1 112.1121 -0.85
+  114.0912 C6H12NO+ 1 114.0913 -1.02
+  130.1225 C7H16NO+ 1 130.1226 -1.39
+  131.1176 C6H15N2O+ 1 131.1179 -1.94
+  136.0753 C8H10NO+ 1 136.0757 -2.87
+  140.1066 C8H14NO+ 1 140.107 -2.97
+  142.0859 C7H12NO2+ 1 142.0863 -2.7
+  146.1171 C7H16NO2+ 1 146.1176 -3.03
+  194.081 C10H12NO3+ 1 194.0812 -0.99
+  210.1475 C10H18N4O+ 1 210.1475 -0.16
+  241.1898 C11H23N5O+ 1 241.1897 0.56
+  243.2055 C11H25N5O+ 2 243.2054 0.73
+  271.2014 C14H27N2O3+ 2 271.2016 -0.97
+  274.1426 C14H18N4O2+ 2 274.1424 0.59
+  275.1743 C14H21N5O+ 2 275.1741 0.98
+  303.1695 C15H21N5O2+ 2 303.169 1.77
+  309.18 C16H25N2O4+ 2 309.1809 -2.85
+  377.1702 C19H25N2O6+ 2 377.1707 -1.47
+  406.2694 C22H36N3O4+ 3 406.27 -1.63
+  430.2697 C24H36N3O4+ 2 430.27 -0.72
+  434.2637 C23H36N3O5+ 2 434.2649 -2.83
+  448.2796 C24H38N3O5+ 2 448.2806 -2.31
+  476.2745 C25H38N3O6+ 3 476.2755 -2.18
+PK$NUM_PEAK: 25
+PK$PEAK: m/z int. rel.int.
+  86.0963 14774935 289
+  100.1119 51024148 999
+  112.112 1183516.1 23
+  114.0912 1941647.5 38
+  130.1225 2111747.2 41
+  131.1176 1955192.2 38
+  136.0753 3363132.5 65
+  140.1066 10290048 201
+  142.0859 7619456.5 149
+  146.1171 12273183 240
+  194.081 693776.4 13
+  210.1475 3790639.8 74
+  241.1898 1147193.8 22
+  243.2055 4061453.5 79
+  271.2014 2137070.8 41
+  274.1426 2528846.2 49
+  275.1743 5269057.5 103
+  303.1695 11663015 228
+  309.18 5442485 106
+  377.1702 802008.3 15
+  406.2694 3268657 63
+  430.2697 1835690 35
+  434.2637 6042706.5 118
+  448.2796 11837545 231
+  476.2745 1309117.8 25
+//
diff --git a/Eawag/MSBNK-EAWAG-ED094305.txt b/Eawag/MSBNK-EAWAG-ED094305.txt
new file mode 100644
index 0000000000..7b10ef2b7b
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED094305.txt
@@ -0,0 +1,79 @@
+ACCESSION: MSBNK-EAWAG-ED094305
+RECORD_TITLE: Nostoginin BN741; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.aquatox.2023.106689
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 947
+CH$NAME: Nostoginin BN741
+CH$NAME: 2-[[2-[[2-[2-[[2-hydroxy-3-(methylamino)decanoyl]amino]propanoyl-methylamino]-4-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C39H59N5O9
+CH$EXACT_MASS: 741.4312785
+CH$SMILES: CCCCCCCC(C(C(NC(C(N(C)C(C(NC(CC1=CC=C(O)C=C1)C(NC(CC2=CC=C(O)C=C2)C(O)=O)=O)=O)CC(C)C)=O)C)=O)O)NC
+CH$IUPAC: InChI=1S/C39H59N5O9/c1-7-8-9-10-11-12-30(40-5)34(47)37(50)41-25(4)38(51)44(6)33(21-24(2)3)36(49)42-31(22-26-13-17-28(45)18-14-26)35(48)43-32(39(52)53)23-27-15-19-29(46)20-16-27/h13-20,24-25,30-34,40,45-47H,7-12,21-23H2,1-6H3,(H,41,50)(H,42,49)(H,43,48)(H,52,53)
+CH$LINK: PUBCHEM CID:77923722
+CH$LINK: INCHIKEY AQINXMPZZHMZRR-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 222163
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 77-778
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.836 min
+MS$FOCUSED_ION: BASE_PEAK 742.4365
+MS$FOCUSED_ION: PRECURSOR_M/Z 742.4386
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0udi-0910000000-4894648246cfe31d87ad
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  86.0964 C5H12N+ 1 86.0964 -0.8
+  100.1119 C6H14N+ 1 100.1121 -1.35
+  112.1119 C7H14N+ 1 112.1121 -1.67
+  114.0911 C6H12NO+ 1 114.0913 -2.35
+  130.1224 C7H16NO+ 1 130.1226 -1.62
+  131.1178 C6H15N2O+ 1 131.1179 -0.43
+  136.0754 C8H10NO+ 1 136.0757 -2.2
+  140.1066 C8H14NO+ 1 140.107 -2.53
+  142.0861 C7H12NO2+ 1 142.0863 -0.76
+  146.1172 C7H16NO2+ 1 146.1176 -2.41
+  194.0803 C8H10N4O2+ 2 194.0798 2.47
+  210.148 C10H18N4O+ 2 210.1475 2.09
+  243.2057 C11H25N5O+ 2 243.2054 1.48
+  271.2011 C14H27N2O3+ 2 271.2016 -1.98
+  274.1427 C14H18N4O2+ 2 274.1424 1.15
+  275.1748 C16H23N2O2+ 2 275.1754 -2.23
+  293.1848 C14H23N5O2+ 2 293.1846 0.7
+  303.1695 C15H21N5O2+ 2 303.169 1.87
+PK$NUM_PEAK: 18
+PK$PEAK: m/z int. rel.int.
+  86.0964 12290622 149
+  100.1119 82015944 999
+  112.1119 2495322 30
+  114.0911 3492304.5 42
+  130.1224 2875306.2 35
+  131.1178 1444115.8 17
+  136.0754 9206486 112
+  140.1066 9974632 121
+  142.0861 3247437.2 39
+  146.1172 9496264 115
+  194.0803 2801136.5 34
+  210.148 5871626 71
+  243.2057 4115042.2 50
+  271.2011 1417664.4 17
+  274.1427 3623257.2 44
+  275.1748 2577200.8 31
+  293.1848 1793515.1 21
+  303.1695 2995979.8 36
+//
diff --git a/Eawag/MSBNK-EAWAG-ED094306.txt b/Eawag/MSBNK-EAWAG-ED094306.txt
new file mode 100644
index 0000000000..5a996b1b4c
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED094306.txt
@@ -0,0 +1,67 @@
+ACCESSION: MSBNK-EAWAG-ED094306
+RECORD_TITLE: Nostoginin BN741; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.aquatox.2023.106689
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 947
+CH$NAME: Nostoginin BN741
+CH$NAME: 2-[[2-[[2-[2-[[2-hydroxy-3-(methylamino)decanoyl]amino]propanoyl-methylamino]-4-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C39H59N5O9
+CH$EXACT_MASS: 741.4312785
+CH$SMILES: CCCCCCCC(C(C(NC(C(N(C)C(C(NC(CC1=CC=C(O)C=C1)C(NC(CC2=CC=C(O)C=C2)C(O)=O)=O)=O)CC(C)C)=O)C)=O)O)NC
+CH$IUPAC: InChI=1S/C39H59N5O9/c1-7-8-9-10-11-12-30(40-5)34(47)37(50)41-25(4)38(51)44(6)33(21-24(2)3)36(49)42-31(22-26-13-17-28(45)18-14-26)35(48)43-32(39(52)53)23-27-15-19-29(46)20-16-27/h13-20,24-25,30-34,40,45-47H,7-12,21-23H2,1-6H3,(H,41,50)(H,42,49)(H,43,48)(H,52,53)
+CH$LINK: PUBCHEM CID:77923722
+CH$LINK: INCHIKEY AQINXMPZZHMZRR-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 222163
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 77-778
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.836 min
+MS$FOCUSED_ION: BASE_PEAK 742.4365
+MS$FOCUSED_ION: PRECURSOR_M/Z 742.4386
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0udi-0900000000-a0109138f00447845df4
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  86.0963 C5H12N+ 1 86.0964 -0.89
+  100.1119 C6H14N+ 1 100.1121 -1.43
+  107.049 C7H7O+ 1 107.0491 -1.57
+  112.1118 C7H14N+ 1 112.1121 -2.49
+  114.0911 C6H12NO+ 1 114.0913 -1.82
+  130.1224 C7H16NO+ 1 130.1226 -1.74
+  136.0754 C8H10NO+ 1 136.0757 -2.2
+  140.1066 C8H14NO+ 1 140.107 -2.75
+  146.1172 C7H16NO2+ 1 146.1176 -2.72
+  194.0806 C10H12NO3+ 2 194.0812 -3.03
+  210.1481 C10H18N4O+ 2 210.1475 2.82
+  274.1428 C14H18N4O2+ 2 274.1424 1.37
+PK$NUM_PEAK: 12
+PK$PEAK: m/z int. rel.int.
+  86.0963 12134911 143
+  100.1119 84521720 999
+  107.049 1180362.1 13
+  112.1118 2159574.8 25
+  114.0911 3918613 46
+  130.1224 2037242.1 24
+  136.0754 11243721 132
+  140.1066 7387917.5 87
+  146.1172 5292630 62
+  194.0806 3475704.2 41
+  210.1481 5025345.5 59
+  274.1428 2346106 27
+//
diff --git a/Eawag/MSBNK-EAWAG-ED094307.txt b/Eawag/MSBNK-EAWAG-ED094307.txt
new file mode 100644
index 0000000000..0187da5431
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED094307.txt
@@ -0,0 +1,71 @@
+ACCESSION: MSBNK-EAWAG-ED094307
+RECORD_TITLE: Nostoginin BN741; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.aquatox.2023.106689
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 947
+CH$NAME: Nostoginin BN741
+CH$NAME: 2-[[2-[[2-[2-[[2-hydroxy-3-(methylamino)decanoyl]amino]propanoyl-methylamino]-4-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C39H59N5O9
+CH$EXACT_MASS: 741.4312785
+CH$SMILES: CCCCCCCC(C(C(NC(C(N(C)C(C(NC(CC1=CC=C(O)C=C1)C(NC(CC2=CC=C(O)C=C2)C(O)=O)=O)=O)CC(C)C)=O)C)=O)O)NC
+CH$IUPAC: InChI=1S/C39H59N5O9/c1-7-8-9-10-11-12-30(40-5)34(47)37(50)41-25(4)38(51)44(6)33(21-24(2)3)36(49)42-31(22-26-13-17-28(45)18-14-26)35(48)43-32(39(52)53)23-27-15-19-29(46)20-16-27/h13-20,24-25,30-34,40,45-47H,7-12,21-23H2,1-6H3,(H,41,50)(H,42,49)(H,43,48)(H,52,53)
+CH$LINK: PUBCHEM CID:77923722
+CH$LINK: INCHIKEY AQINXMPZZHMZRR-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 222163
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 77-778
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.836 min
+MS$FOCUSED_ION: BASE_PEAK 742.4365
+MS$FOCUSED_ION: PRECURSOR_M/Z 742.4386
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0udi-0900000000-7100ed15d10d8755af15
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  83.0856 C6H11+ 1 83.0855 0.94
+  86.0963 C5H12N+ 1 86.0964 -1.86
+  100.1119 C6H14N+ 1 100.1121 -2.04
+  107.0492 C7H7O+ 1 107.0491 0.71
+  112.1117 C7H14N+ 1 112.1121 -3.71
+  114.091 C6H12NO+ 1 114.0913 -2.89
+  119.0489 C8H7O+ 1 119.0491 -1.67
+  130.1222 C7H16NO+ 1 130.1226 -3.38
+  136.0752 C8H10NO+ 1 136.0757 -3.43
+  140.1065 C8H14NO+ 1 140.107 -3.4
+  146.117 C7H16NO2+ 1 146.1176 -3.97
+  152.07 C8H10NO2+ 2 152.0706 -4.18
+  194.0796 C8H10N4O2+ 1 194.0798 -1.07
+  210.1475 C10H18N4O+ 1 210.1475 0.13
+PK$NUM_PEAK: 14
+PK$PEAK: m/z int. rel.int.
+  83.0856 937143.7 12
+  86.0963 10793229 138
+  100.1119 77742664 999
+  107.0492 1602608.2 20
+  112.1117 1366878.2 17
+  114.091 3290930.5 42
+  119.0489 827847.5 10
+  130.1222 1443505.8 18
+  136.0752 11626860 149
+  140.1065 5813745.5 74
+  146.117 1727751.4 22
+  152.07 821837.5 10
+  194.0796 1790041.2 23
+  210.1475 2403455.8 30
+//
diff --git a/Eawag/MSBNK-EAWAG-ED094308.txt b/Eawag/MSBNK-EAWAG-ED094308.txt
new file mode 100644
index 0000000000..1df59acef2
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED094308.txt
@@ -0,0 +1,71 @@
+ACCESSION: MSBNK-EAWAG-ED094308
+RECORD_TITLE: Nostoginin BN741; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.aquatox.2023.106689
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 947
+CH$NAME: Nostoginin BN741
+CH$NAME: 2-[[2-[[2-[2-[[2-hydroxy-3-(methylamino)decanoyl]amino]propanoyl-methylamino]-4-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C39H59N5O9
+CH$EXACT_MASS: 741.4312785
+CH$SMILES: CCCCCCCC(C(C(NC(C(N(C)C(C(NC(CC1=CC=C(O)C=C1)C(NC(CC2=CC=C(O)C=C2)C(O)=O)=O)=O)CC(C)C)=O)C)=O)O)NC
+CH$IUPAC: InChI=1S/C39H59N5O9/c1-7-8-9-10-11-12-30(40-5)34(47)37(50)41-25(4)38(51)44(6)33(21-24(2)3)36(49)42-31(22-26-13-17-28(45)18-14-26)35(48)43-32(39(52)53)23-27-15-19-29(46)20-16-27/h13-20,24-25,30-34,40,45-47H,7-12,21-23H2,1-6H3,(H,41,50)(H,42,49)(H,43,48)(H,52,53)
+CH$LINK: PUBCHEM CID:77923722
+CH$LINK: INCHIKEY AQINXMPZZHMZRR-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 222163
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 77-778
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.836 min
+MS$FOCUSED_ION: BASE_PEAK 742.4365
+MS$FOCUSED_ION: PRECURSOR_M/Z 742.4386
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0udi-1900000000-d3784b8138a259d97a3a
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  83.0854 C6H11+ 1 83.0855 -1.26
+  86.0963 C5H12N+ 1 86.0964 -1.33
+  91.0541 C7H7+ 1 91.0542 -1.56
+  95.0852 C7H11+ 1 95.0855 -3.14
+  100.1119 C6H14N+ 1 100.1121 -1.89
+  107.0489 C7H7O+ 1 107.0491 -2.64
+  112.112 C7H14N+ 1 112.1121 -0.38
+  114.091 C6H12NO+ 1 114.0913 -3.22
+  119.0489 C8H7O+ 1 119.0491 -1.8
+  130.1226 C7H16NO+ 1 130.1226 -0.68
+  136.0752 C8H10NO+ 1 136.0757 -3.43
+  140.1066 C8H14NO+ 1 140.107 -2.97
+  146.1172 C7H16NO2+ 1 146.1176 -2.72
+  148.0754 C9H10NO+ 1 148.0757 -2.19
+PK$NUM_PEAK: 14
+PK$PEAK: m/z int. rel.int.
+  83.0854 1389282.1 23
+  86.0963 8305467.5 139
+  91.0541 1585000.2 26
+  95.0852 930793.2 15
+  100.1119 59487368 999
+  107.0489 1861290.9 31
+  112.112 1003833.4 16
+  114.091 2018769.1 33
+  119.0489 1668324.5 28
+  130.1226 745152.1 12
+  136.0752 10680866 179
+  140.1066 2743131.2 46
+  146.1172 673004.4 11
+  148.0754 899121.1 15
+//
diff --git a/Eawag/MSBNK-EAWAG-ED094309.txt b/Eawag/MSBNK-EAWAG-ED094309.txt
new file mode 100644
index 0000000000..45b80e4ca3
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED094309.txt
@@ -0,0 +1,71 @@
+ACCESSION: MSBNK-EAWAG-ED094309
+RECORD_TITLE: Nostoginin BN741; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.aquatox.2023.106689
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 947
+CH$NAME: Nostoginin BN741
+CH$NAME: 2-[[2-[[2-[2-[[2-hydroxy-3-(methylamino)decanoyl]amino]propanoyl-methylamino]-4-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C39H59N5O9
+CH$EXACT_MASS: 741.4312785
+CH$SMILES: CCCCCCCC(C(C(NC(C(N(C)C(C(NC(CC1=CC=C(O)C=C1)C(NC(CC2=CC=C(O)C=C2)C(O)=O)=O)=O)CC(C)C)=O)C)=O)O)NC
+CH$IUPAC: InChI=1S/C39H59N5O9/c1-7-8-9-10-11-12-30(40-5)34(47)37(50)41-25(4)38(51)44(6)33(21-24(2)3)36(49)42-31(22-26-13-17-28(45)18-14-26)35(48)43-32(39(52)53)23-27-15-19-29(46)20-16-27/h13-20,24-25,30-34,40,45-47H,7-12,21-23H2,1-6H3,(H,41,50)(H,42,49)(H,43,48)(H,52,53)
+CH$LINK: PUBCHEM CID:77923722
+CH$LINK: INCHIKEY AQINXMPZZHMZRR-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 222163
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 77-778
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.836 min
+MS$FOCUSED_ION: BASE_PEAK 742.4365
+MS$FOCUSED_ION: PRECURSOR_M/Z 742.4386
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0udi-2900000000-271eabcf7ef5482971cc
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  83.0854 C6H11+ 1 83.0855 -1.17
+  86.0963 C5H12N+ 1 86.0964 -1.77
+  91.0541 C7H7+ 1 91.0542 -1.14
+  95.0854 C7H11+ 1 95.0855 -0.97
+  100.1119 C6H14N+ 1 100.1121 -1.81
+  107.0488 C7H7O+ 1 107.0491 -2.78
+  112.1121 C7H14N+ 1 112.1121 -0.17
+  114.091 C6H12NO+ 1 114.0913 -3.29
+  119.0488 C8H7O+ 1 119.0491 -2.51
+  133.0643 C9H9O+ 1 133.0648 -3.57
+  136.0752 C8H10NO+ 1 136.0757 -3.32
+  140.1066 C8H14NO+ 1 140.107 -3.08
+  148.0754 C9H10NO+ 1 148.0757 -2.19
+  152.0701 C8H10NO2+ 1 152.0706 -3.07
+PK$NUM_PEAK: 14
+PK$PEAK: m/z int. rel.int.
+  83.0854 1647042.5 37
+  86.0963 8403876 191
+  91.0541 4657622 105
+  95.0854 1104693.9 25
+  100.1119 43952364 999
+  107.0488 2268870.8 51
+  112.1121 519857.6 11
+  114.091 1866701.8 42
+  119.0488 2500887.5 56
+  133.0643 555441.9 12
+  136.0752 8825598 200
+  140.1066 1878791.6 42
+  148.0754 465588.4 10
+  152.0701 2493978.2 56
+//
diff --git a/Eawag/MSBNK-EAWAG-ED094801.txt b/Eawag/MSBNK-EAWAG-ED094801.txt
new file mode 100644
index 0000000000..922b47e79d
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED094801.txt
@@ -0,0 +1,52 @@
+ACCESSION: MSBNK-EAWAG-ED094801
+RECORD_TITLE: Microginin 757; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.05.01
+AUTHORS: E. Janssen [dtc], X. Wang [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 948
+CH$NAME: Microginin 757
+CH$NAME: 2-[[2-[[2-[[2-[(3-amino-2-hydroxydecanoyl)amino]-3-hydroxybutanoyl]-methylamino]-4-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C39H59N5O10
+CH$EXACT_MASS: 757.4261931
+CH$SMILES: OC(C(NC(C(N(C(CC(C)C)C(NC(C(NC(CC1=CC=C(O)C=C1)C(O)=O)=O)CC2=CC=C(O)C=C2)=O)C)=O)C(O)C)=O)C(N)CCCCCCC
+CH$IUPAC: InChI=1S/C39H59N5O10/c1-6-7-8-9-10-11-29(40)34(48)37(51)43-33(24(4)45)38(52)44(5)32(20-23(2)3)36(50)41-30(21-25-12-16-27(46)17-13-25)35(49)42-31(39(53)54)22-26-14-18-28(47)19-15-26/h12-19,23-24,29-34,45-48H,6-11,20-22,40H2,1-5H3,(H,41,50)(H,42,49)(H,43,51)(H,53,54)
+CH$LINK: CHEBI 214808
+CH$LINK: PUBCHEM CID:146683921
+CH$LINK: INCHIKEY FXNVBPMPLYGNFO-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 79-795
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.246 min
+MS$FOCUSED_ION: BASE_PEAK 226.1215
+MS$FOCUSED_ION: PRECURSOR_M/Z 758.4335
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0a4i-0000000900-08f49fe554977da03fa4
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  370.2695 C19H36N3O4+ 1 370.27 -1.49
+  396.2855 C21H38N3O4+ 2 396.2857 -0.51
+  414.2956 C23H42O6+ 3 414.2976 -4.88
+  577.358 C27H51N3O10+ 2 577.3569 1.94
+  758.4328 C39H60N5O10+ 1 758.4335 -0.82
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  370.2695 44719.4 70
+  396.2855 16496.6 25
+  414.2956 26083.2 40
+  577.358 9321.8 14
+  758.4328 637125.6 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED094802.txt b/Eawag/MSBNK-EAWAG-ED094802.txt
new file mode 100644
index 0000000000..b1a2018d3a
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED094802.txt
@@ -0,0 +1,50 @@
+ACCESSION: MSBNK-EAWAG-ED094802
+RECORD_TITLE: Microginin 757; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.05.01
+AUTHORS: E. Janssen [dtc], X. Wang [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 948
+CH$NAME: Microginin 757
+CH$NAME: 2-[[2-[[2-[[2-[(3-amino-2-hydroxydecanoyl)amino]-3-hydroxybutanoyl]-methylamino]-4-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C39H59N5O10
+CH$EXACT_MASS: 757.4261931
+CH$SMILES: OC(C(NC(C(N(C(CC(C)C)C(NC(C(NC(CC1=CC=C(O)C=C1)C(O)=O)=O)CC2=CC=C(O)C=C2)=O)C)=O)C(O)C)=O)C(N)CCCCCCC
+CH$IUPAC: InChI=1S/C39H59N5O10/c1-6-7-8-9-10-11-29(40)34(48)37(51)43-33(24(4)45)38(52)44(5)32(20-23(2)3)36(50)41-30(21-25-12-16-27(46)17-13-25)35(49)42-31(39(53)54)22-26-14-18-28(47)19-15-26/h12-19,23-24,29-34,45-48H,6-11,20-22,40H2,1-5H3,(H,41,50)(H,42,49)(H,43,51)(H,53,54)
+CH$LINK: CHEBI 214808
+CH$LINK: PUBCHEM CID:146683921
+CH$LINK: INCHIKEY FXNVBPMPLYGNFO-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 79-795
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.246 min
+MS$FOCUSED_ION: BASE_PEAK 226.1215
+MS$FOCUSED_ION: PRECURSOR_M/Z 758.4335
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0ab9-0009000700-073c40c572e2ee494c97
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  100.1118 C6H14N+ 1 100.1121 -2.29
+  370.2695 C19H36N3O4+ 1 370.27 -1.57
+  396.2845 C21H38N3O4+ 2 396.2857 -2.89
+  758.4336 C39H60N5O10+ 1 758.4335 0.15
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  100.1118 13641.7 60
+  370.2695 185114 826
+  396.2845 84933.9 379
+  758.4336 223693.9 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED094803.txt b/Eawag/MSBNK-EAWAG-ED094803.txt
new file mode 100644
index 0000000000..a99bd35861
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED094803.txt
@@ -0,0 +1,56 @@
+ACCESSION: MSBNK-EAWAG-ED094803
+RECORD_TITLE: Microginin 757; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.05.01
+AUTHORS: E. Janssen [dtc], X. Wang [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 948
+CH$NAME: Microginin 757
+CH$NAME: 2-[[2-[[2-[[2-[(3-amino-2-hydroxydecanoyl)amino]-3-hydroxybutanoyl]-methylamino]-4-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C39H59N5O10
+CH$EXACT_MASS: 757.4261931
+CH$SMILES: OC(C(NC(C(N(C(CC(C)C)C(NC(C(NC(CC1=CC=C(O)C=C1)C(O)=O)=O)CC2=CC=C(O)C=C2)=O)C)=O)C(O)C)=O)C(N)CCCCCCC
+CH$IUPAC: InChI=1S/C39H59N5O10/c1-6-7-8-9-10-11-29(40)34(48)37(51)43-33(24(4)45)38(52)44(5)32(20-23(2)3)36(50)41-30(21-25-12-16-27(46)17-13-25)35(49)42-31(39(53)54)22-26-14-18-28(47)19-15-26/h12-19,23-24,29-34,45-48H,6-11,20-22,40H2,1-5H3,(H,41,50)(H,42,49)(H,43,51)(H,53,54)
+CH$LINK: CHEBI 214808
+CH$LINK: PUBCHEM CID:146683921
+CH$LINK: INCHIKEY FXNVBPMPLYGNFO-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 79-795
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.246 min
+MS$FOCUSED_ION: BASE_PEAK 226.1215
+MS$FOCUSED_ION: PRECURSOR_M/Z 758.4335
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00dj-0609000000-37c027925d6d171a1393
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  100.1121 C6H14N+ 1 100.1121 0.15
+  146.1174 C7H16NO2+ 1 146.1176 -1.08
+  168.1377 C10H18NO+ 2 168.1383 -3.64
+  269.1489 C13H21N2O4+ 2 269.1496 -2.37
+  370.2696 C19H36N3O4+ 2 370.27 -1.07
+  396.2852 C21H38N3O4+ 2 396.2857 -1.2
+  472.2448 C25H34N3O6+ 3 472.2442 1.15
+PK$NUM_PEAK: 7
+PK$PEAK: m/z int. rel.int.
+  100.1121 64766.5 490
+  146.1174 42851.9 324
+  168.1377 46539 352
+  269.1489 14198.6 107
+  370.2696 131953.8 999
+  396.2852 75146.2 568
+  472.2448 21027.5 159
+//
diff --git a/Eawag/MSBNK-EAWAG-ED094804.txt b/Eawag/MSBNK-EAWAG-ED094804.txt
new file mode 100644
index 0000000000..9005f8b7e4
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED094804.txt
@@ -0,0 +1,56 @@
+ACCESSION: MSBNK-EAWAG-ED094804
+RECORD_TITLE: Microginin 757; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.05.01
+AUTHORS: E. Janssen [dtc], X. Wang [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 948
+CH$NAME: Microginin 757
+CH$NAME: 2-[[2-[[2-[[2-[(3-amino-2-hydroxydecanoyl)amino]-3-hydroxybutanoyl]-methylamino]-4-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C39H59N5O10
+CH$EXACT_MASS: 757.4261931
+CH$SMILES: OC(C(NC(C(N(C(CC(C)C)C(NC(C(NC(CC1=CC=C(O)C=C1)C(O)=O)=O)CC2=CC=C(O)C=C2)=O)C)=O)C(O)C)=O)C(N)CCCCCCC
+CH$IUPAC: InChI=1S/C39H59N5O10/c1-6-7-8-9-10-11-29(40)34(48)37(51)43-33(24(4)45)38(52)44(5)32(20-23(2)3)36(50)41-30(21-25-12-16-27(46)17-13-25)35(49)42-31(39(53)54)22-26-14-18-28(47)19-15-26/h12-19,23-24,29-34,45-48H,6-11,20-22,40H2,1-5H3,(H,41,50)(H,42,49)(H,43,51)(H,53,54)
+CH$LINK: CHEBI 214808
+CH$LINK: PUBCHEM CID:146683921
+CH$LINK: INCHIKEY FXNVBPMPLYGNFO-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 79-795
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.246 min
+MS$FOCUSED_ION: BASE_PEAK 226.1215
+MS$FOCUSED_ION: PRECURSOR_M/Z 758.4335
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0udi-0910000000-2b349af8c63e2b7522f7
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  100.1121 C6H14N+ 1 100.1121 0.3
+  128.1435 C8H18N+ 1 128.1434 0.98
+  146.1177 C7H16NO2+ 1 146.1176 0.8
+  168.1381 C10H18NO+ 1 168.1383 -1.1
+  251.1747 C12H21N5O+ 2 251.1741 2.5
+  269.1489 C13H21N2O4+ 2 269.1496 -2.6
+  396.2856 C21H38N3O4+ 2 396.2857 -0.28
+PK$NUM_PEAK: 7
+PK$PEAK: m/z int. rel.int.
+  100.1121 164720.7 999
+  128.1435 24188.6 146
+  146.1177 54006 327
+  168.1381 67234.1 407
+  251.1747 26855.6 162
+  269.1489 15348.5 93
+  396.2856 26341.2 159
+//
diff --git a/Eawag/MSBNK-EAWAG-ED094805.txt b/Eawag/MSBNK-EAWAG-ED094805.txt
new file mode 100644
index 0000000000..2144edc838
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED094805.txt
@@ -0,0 +1,56 @@
+ACCESSION: MSBNK-EAWAG-ED094805
+RECORD_TITLE: Microginin 757; LC-ESI-QFT; MS2; CE: 35%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.05.01
+AUTHORS: E. Janssen [dtc], X. Wang [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 948
+CH$NAME: Microginin 757
+CH$NAME: 2-[[2-[[2-[[2-[(3-amino-2-hydroxydecanoyl)amino]-3-hydroxybutanoyl]-methylamino]-4-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C39H59N5O10
+CH$EXACT_MASS: 757.4261931
+CH$SMILES: OC(C(NC(C(N(C(CC(C)C)C(NC(C(NC(CC1=CC=C(O)C=C1)C(O)=O)=O)CC2=CC=C(O)C=C2)=O)C)=O)C(O)C)=O)C(N)CCCCCCC
+CH$IUPAC: InChI=1S/C39H59N5O10/c1-6-7-8-9-10-11-29(40)34(48)37(51)43-33(24(4)45)38(52)44(5)32(20-23(2)3)36(50)41-30(21-25-12-16-27(46)17-13-25)35(49)42-31(39(53)54)22-26-14-18-28(47)19-15-26/h12-19,23-24,29-34,45-48H,6-11,20-22,40H2,1-5H3,(H,41,50)(H,42,49)(H,43,51)(H,53,54)
+CH$LINK: CHEBI 214808
+CH$LINK: PUBCHEM CID:146683921
+CH$LINK: INCHIKEY FXNVBPMPLYGNFO-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 35 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 79-795
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.246 min
+MS$FOCUSED_ION: BASE_PEAK 226.1215
+MS$FOCUSED_ION: PRECURSOR_M/Z 758.4335
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0udi-0900000000-0b46726cf619b573ea58
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  100.1121 C6H14N+ 1 100.1121 -0.16
+  128.143 C8H18N+ 1 128.1434 -2.83
+  140.1431 C9H18N+ 1 140.1434 -1.97
+  146.1174 C7H16NO2+ 1 146.1176 -0.97
+  168.138 C10H18NO+ 1 168.1383 -1.74
+  203.1385 C9H19N2O3+ 2 203.139 -2.31
+  251.1736 C12H21N5O+ 2 251.1741 -1.81
+PK$NUM_PEAK: 7
+PK$PEAK: m/z int. rel.int.
+  100.1121 220867.9 999
+  128.143 57614.8 260
+  140.1431 11631.4 52
+  146.1174 48331.3 218
+  168.138 77922.7 352
+  203.1385 20772.4 93
+  251.1736 23013.6 104
+//
diff --git a/Eawag/MSBNK-EAWAG-ED094806.txt b/Eawag/MSBNK-EAWAG-ED094806.txt
new file mode 100644
index 0000000000..71807f8e7f
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED094806.txt
@@ -0,0 +1,54 @@
+ACCESSION: MSBNK-EAWAG-ED094806
+RECORD_TITLE: Microginin 757; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.05.01
+AUTHORS: E. Janssen [dtc], X. Wang [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 948
+CH$NAME: Microginin 757
+CH$NAME: 2-[[2-[[2-[[2-[(3-amino-2-hydroxydecanoyl)amino]-3-hydroxybutanoyl]-methylamino]-4-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C39H59N5O10
+CH$EXACT_MASS: 757.4261931
+CH$SMILES: OC(C(NC(C(N(C(CC(C)C)C(NC(C(NC(CC1=CC=C(O)C=C1)C(O)=O)=O)CC2=CC=C(O)C=C2)=O)C)=O)C(O)C)=O)C(N)CCCCCCC
+CH$IUPAC: InChI=1S/C39H59N5O10/c1-6-7-8-9-10-11-29(40)34(48)37(51)43-33(24(4)45)38(52)44(5)32(20-23(2)3)36(50)41-30(21-25-12-16-27(46)17-13-25)35(49)42-31(39(53)54)22-26-14-18-28(47)19-15-26/h12-19,23-24,29-34,45-48H,6-11,20-22,40H2,1-5H3,(H,41,50)(H,42,49)(H,43,51)(H,53,54)
+CH$LINK: CHEBI 214808
+CH$LINK: PUBCHEM CID:146683921
+CH$LINK: INCHIKEY FXNVBPMPLYGNFO-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 79-795
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.246 min
+MS$FOCUSED_ION: BASE_PEAK 226.1215
+MS$FOCUSED_ION: PRECURSOR_M/Z 758.4335
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0udi-0900000000-aaeb416a6066bc9acff9
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  100.1121 C6H14N+ 1 100.1121 -0.08
+  128.1436 C8H18N+ 1 128.1434 1.7
+  140.1435 C9H18N+ 1 140.1434 0.97
+  146.1174 C7H16NO2+ 1 146.1176 -1.08
+  158.1542 C9H20NO+ 1 158.1539 1.54
+  168.1383 C10H18NO+ 1 168.1383 -0.01
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  100.1121 251801.3 999
+  128.1436 86423.1 342
+  140.1435 16074.8 63
+  146.1174 33660.2 133
+  158.1542 10951.2 43
+  168.1383 59394.2 235
+//
diff --git a/Eawag/MSBNK-EAWAG-ED094807.txt b/Eawag/MSBNK-EAWAG-ED094807.txt
new file mode 100644
index 0000000000..f11d8d2905
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED094807.txt
@@ -0,0 +1,50 @@
+ACCESSION: MSBNK-EAWAG-ED094807
+RECORD_TITLE: Microginin 757; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.05.01
+AUTHORS: E. Janssen [dtc], X. Wang [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 948
+CH$NAME: Microginin 757
+CH$NAME: 2-[[2-[[2-[[2-[(3-amino-2-hydroxydecanoyl)amino]-3-hydroxybutanoyl]-methylamino]-4-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C39H59N5O10
+CH$EXACT_MASS: 757.4261931
+CH$SMILES: OC(C(NC(C(N(C(CC(C)C)C(NC(C(NC(CC1=CC=C(O)C=C1)C(O)=O)=O)CC2=CC=C(O)C=C2)=O)C)=O)C(O)C)=O)C(N)CCCCCCC
+CH$IUPAC: InChI=1S/C39H59N5O10/c1-6-7-8-9-10-11-29(40)34(48)37(51)43-33(24(4)45)38(52)44(5)32(20-23(2)3)36(50)41-30(21-25-12-16-27(46)17-13-25)35(49)42-31(39(53)54)22-26-14-18-28(47)19-15-26/h12-19,23-24,29-34,45-48H,6-11,20-22,40H2,1-5H3,(H,41,50)(H,42,49)(H,43,51)(H,53,54)
+CH$LINK: CHEBI 214808
+CH$LINK: PUBCHEM CID:146683921
+CH$LINK: INCHIKEY FXNVBPMPLYGNFO-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 79-795
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.246 min
+MS$FOCUSED_ION: BASE_PEAK 226.1215
+MS$FOCUSED_ION: PRECURSOR_M/Z 758.4335
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0udi-0900000000-125b4589d6a6ff660955
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  100.1121 C6H14N+ 1 100.1121 0.45
+  128.1433 C8H18N+ 1 128.1434 -0.92
+  146.1176 C7H16NO2+ 1 146.1176 0.28
+  168.1375 C10H18NO+ 2 168.1383 -4.55
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  100.1121 243574 999
+  128.1433 85718.1 351
+  146.1176 30832.8 126
+  168.1375 44691.2 183
+//
diff --git a/Eawag/MSBNK-EAWAG-ED094808.txt b/Eawag/MSBNK-EAWAG-ED094808.txt
new file mode 100644
index 0000000000..4b350ef717
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED094808.txt
@@ -0,0 +1,50 @@
+ACCESSION: MSBNK-EAWAG-ED094808
+RECORD_TITLE: Microginin 757; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.05.01
+AUTHORS: E. Janssen [dtc], X. Wang [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 948
+CH$NAME: Microginin 757
+CH$NAME: 2-[[2-[[2-[[2-[(3-amino-2-hydroxydecanoyl)amino]-3-hydroxybutanoyl]-methylamino]-4-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C39H59N5O10
+CH$EXACT_MASS: 757.4261931
+CH$SMILES: OC(C(NC(C(N(C(CC(C)C)C(NC(C(NC(CC1=CC=C(O)C=C1)C(O)=O)=O)CC2=CC=C(O)C=C2)=O)C)=O)C(O)C)=O)C(N)CCCCCCC
+CH$IUPAC: InChI=1S/C39H59N5O10/c1-6-7-8-9-10-11-29(40)34(48)37(51)43-33(24(4)45)38(52)44(5)32(20-23(2)3)36(50)41-30(21-25-12-16-27(46)17-13-25)35(49)42-31(39(53)54)22-26-14-18-28(47)19-15-26/h12-19,23-24,29-34,45-48H,6-11,20-22,40H2,1-5H3,(H,41,50)(H,42,49)(H,43,51)(H,53,54)
+CH$LINK: CHEBI 214808
+CH$LINK: PUBCHEM CID:146683921
+CH$LINK: INCHIKEY FXNVBPMPLYGNFO-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 79-795
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.246 min
+MS$FOCUSED_ION: BASE_PEAK 226.1215
+MS$FOCUSED_ION: PRECURSOR_M/Z 758.4335
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0udi-0900000000-830cb836254e1d9ec56a
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  100.112 C6H14N+ 1 100.1121 -0.61
+  128.1433 C8H18N+ 1 128.1434 -0.8
+  146.1173 C7H16NO2+ 1 146.1176 -1.91
+  168.1379 C10H18NO+ 1 168.1383 -2.37
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  100.112 210228.6 999
+  128.1433 99967.5 475
+  146.1173 13398.6 63
+  168.1379 20110.3 95
+//
diff --git a/Eawag/MSBNK-EAWAG-ED094809.txt b/Eawag/MSBNK-EAWAG-ED094809.txt
new file mode 100644
index 0000000000..450b67e2db
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED094809.txt
@@ -0,0 +1,48 @@
+ACCESSION: MSBNK-EAWAG-ED094809
+RECORD_TITLE: Microginin 757; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.05.01
+AUTHORS: E. Janssen [dtc], X. Wang [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 948
+CH$NAME: Microginin 757
+CH$NAME: 2-[[2-[[2-[[2-[(3-amino-2-hydroxydecanoyl)amino]-3-hydroxybutanoyl]-methylamino]-4-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C39H59N5O10
+CH$EXACT_MASS: 757.4261931
+CH$SMILES: OC(C(NC(C(N(C(CC(C)C)C(NC(C(NC(CC1=CC=C(O)C=C1)C(O)=O)=O)CC2=CC=C(O)C=C2)=O)C)=O)C(O)C)=O)C(N)CCCCCCC
+CH$IUPAC: InChI=1S/C39H59N5O10/c1-6-7-8-9-10-11-29(40)34(48)37(51)43-33(24(4)45)38(52)44(5)32(20-23(2)3)36(50)41-30(21-25-12-16-27(46)17-13-25)35(49)42-31(39(53)54)22-26-14-18-28(47)19-15-26/h12-19,23-24,29-34,45-48H,6-11,20-22,40H2,1-5H3,(H,41,50)(H,42,49)(H,43,51)(H,53,54)
+CH$LINK: CHEBI 214808
+CH$LINK: PUBCHEM CID:146683921
+CH$LINK: INCHIKEY FXNVBPMPLYGNFO-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 79-795
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.246 min
+MS$FOCUSED_ION: BASE_PEAK 226.1215
+MS$FOCUSED_ION: PRECURSOR_M/Z 758.4335
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0udi-0900000000-6a8fd17e80ee2b0849fb
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  100.1121 C6H14N+ 1 100.1121 0.38
+  128.1432 C8H18N+ 1 128.1434 -1.76
+  168.1381 C10H18NO+ 1 168.1383 -1.38
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  100.1121 157926.4 999
+  128.1432 54932 347
+  168.1381 14818.5 93
+//
diff --git a/Eawag/MSBNK-EAWAG-ED097501.txt b/Eawag/MSBNK-EAWAG-ED097501.txt
new file mode 100644
index 0000000000..2af739721e
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED097501.txt
@@ -0,0 +1,48 @@
+ACCESSION: MSBNK-EAWAG-ED097501
+RECORD_TITLE: Microginin FR5; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.05.01
+AUTHORS: E. Janssen [dtc], X. Wang [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 975
+CH$NAME: Microginin FR5
+CH$NAME: 2-[[2-[[1-[2-[(3-amino-2-hydroxydecanoyl)amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C38H55N5O9
+CH$EXACT_MASS: 725.3999783
+CH$SMILES: OC(C(CCCCCCC)N)C(NC(C(C)C)C(N1CCCC1C(NC(CC2=CC=C(C=C2)O)C(NC(C(O)=O)CC3=CC=C(O)C=C3)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C38H55N5O9/c1-4-5-6-7-8-10-28(39)33(46)36(49)42-32(23(2)3)37(50)43-20-9-11-31(43)35(48)40-29(21-24-12-16-26(44)17-13-24)34(47)41-30(38(51)52)22-25-14-18-27(45)19-15-25/h12-19,23,28-33,44-46H,4-11,20-22,39H2,1-3H3,(H,40,48)(H,41,47)(H,42,49)(H,51,52)
+CH$LINK: CHEBI 214825
+CH$LINK: PUBCHEM CID:146683924
+CH$LINK: INCHIKEY KXRLIMLXCPEJPD-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 76-762
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.416 min
+MS$FOCUSED_ION: BASE_PEAK 728.3857
+MS$FOCUSED_ION: PRECURSOR_M/Z 726.4073
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-004i-0000100900-2afb6054e112ae140d3e
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  442.1963 C23H28N3O6+ 2 442.1973 -2.13
+  567.2439 C29H35N4O8+ 2 567.2449 -1.86
+  726.4065 C38H56N5O9+ 1 726.4073 -1.07
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  442.1963 79631.6 116
+  567.2439 56684.7 82
+  726.4065 685167.2 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED097502.txt b/Eawag/MSBNK-EAWAG-ED097502.txt
new file mode 100644
index 0000000000..8ea1734d71
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED097502.txt
@@ -0,0 +1,48 @@
+ACCESSION: MSBNK-EAWAG-ED097502
+RECORD_TITLE: Microginin FR5; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.05.01
+AUTHORS: E. Janssen [dtc], X. Wang [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 975
+CH$NAME: Microginin FR5
+CH$NAME: 2-[[2-[[1-[2-[(3-amino-2-hydroxydecanoyl)amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C38H55N5O9
+CH$EXACT_MASS: 725.3999783
+CH$SMILES: OC(C(CCCCCCC)N)C(NC(C(C)C)C(N1CCCC1C(NC(CC2=CC=C(C=C2)O)C(NC(C(O)=O)CC3=CC=C(O)C=C3)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C38H55N5O9/c1-4-5-6-7-8-10-28(39)33(46)36(49)42-32(23(2)3)37(50)43-20-9-11-31(43)35(48)40-29(21-24-12-16-26(44)17-13-24)34(47)41-30(38(51)52)22-25-14-18-27(45)19-15-25/h12-19,23,28-33,44-46H,4-11,20-22,39H2,1-3H3,(H,40,48)(H,41,47)(H,42,49)(H,51,52)
+CH$LINK: CHEBI 214825
+CH$LINK: PUBCHEM CID:146683924
+CH$LINK: INCHIKEY KXRLIMLXCPEJPD-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 76-762
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.416 min
+MS$FOCUSED_ION: BASE_PEAK 728.3857
+MS$FOCUSED_ION: PRECURSOR_M/Z 726.4073
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-002f-0000930600-42726c6f8aa92607a248
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  442.1962 C23H28N3O6+ 2 442.1973 -2.48
+  567.2433 C29H35N4O8+ 1 567.2449 -2.83
+  726.4071 C38H56N5O9+ 1 726.4073 -0.15
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  442.1962 286711.9 999
+  567.2433 109432.9 381
+  726.4071 221328.3 771
+//
diff --git a/Eawag/MSBNK-EAWAG-ED097503.txt b/Eawag/MSBNK-EAWAG-ED097503.txt
new file mode 100644
index 0000000000..1286465b7e
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED097503.txt
@@ -0,0 +1,54 @@
+ACCESSION: MSBNK-EAWAG-ED097503
+RECORD_TITLE: Microginin FR5; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.05.01
+AUTHORS: E. Janssen [dtc], X. Wang [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 975
+CH$NAME: Microginin FR5
+CH$NAME: 2-[[2-[[1-[2-[(3-amino-2-hydroxydecanoyl)amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C38H55N5O9
+CH$EXACT_MASS: 725.3999783
+CH$SMILES: OC(C(CCCCCCC)N)C(NC(C(C)C)C(N1CCCC1C(NC(CC2=CC=C(C=C2)O)C(NC(C(O)=O)CC3=CC=C(O)C=C3)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C38H55N5O9/c1-4-5-6-7-8-10-28(39)33(46)36(49)42-32(23(2)3)37(50)43-20-9-11-31(43)35(48)40-29(21-24-12-16-26(44)17-13-24)34(47)41-30(38(51)52)22-25-14-18-27(45)19-15-25/h12-19,23,28-33,44-46H,4-11,20-22,39H2,1-3H3,(H,40,48)(H,41,47)(H,42,49)(H,51,52)
+CH$LINK: CHEBI 214825
+CH$LINK: PUBCHEM CID:146683924
+CH$LINK: INCHIKEY KXRLIMLXCPEJPD-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 76-762
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.416 min
+MS$FOCUSED_ION: BASE_PEAK 728.3857
+MS$FOCUSED_ION: PRECURSOR_M/Z 726.4073
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0006-0040900000-47633f59a37c818c5bdc
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  142.1593 C9H20N+ 1 142.159 2.16
+  233.1268 C11H15N5O+ 2 233.1271 -1.37
+  261.1222 C12H15N5O2+ 2 261.122 0.52
+  345.1432 C16H19N5O4+ 3 345.1432 0.18
+  442.1965 C23H28N3O6+ 3 442.1973 -1.72
+  726.4051 C38H56N5O9+ 1 726.4073 -3
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  142.1593 17744.9 59
+  233.1268 46070.4 155
+  261.1222 92306.1 311
+  345.1432 27734.9 93
+  442.1965 295721 999
+  726.4051 25382.1 85
+//
diff --git a/Eawag/MSBNK-EAWAG-ED097504.txt b/Eawag/MSBNK-EAWAG-ED097504.txt
new file mode 100644
index 0000000000..d336570c77
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED097504.txt
@@ -0,0 +1,56 @@
+ACCESSION: MSBNK-EAWAG-ED097504
+RECORD_TITLE: Microginin FR5; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.05.01
+AUTHORS: E. Janssen [dtc], X. Wang [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 975
+CH$NAME: Microginin FR5
+CH$NAME: 2-[[2-[[1-[2-[(3-amino-2-hydroxydecanoyl)amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C38H55N5O9
+CH$EXACT_MASS: 725.3999783
+CH$SMILES: OC(C(CCCCCCC)N)C(NC(C(C)C)C(N1CCCC1C(NC(CC2=CC=C(C=C2)O)C(NC(C(O)=O)CC3=CC=C(O)C=C3)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C38H55N5O9/c1-4-5-6-7-8-10-28(39)33(46)36(49)42-32(23(2)3)37(50)43-20-9-11-31(43)35(48)40-29(21-24-12-16-26(44)17-13-24)34(47)41-30(38(51)52)22-25-14-18-27(45)19-15-25/h12-19,23,28-33,44-46H,4-11,20-22,39H2,1-3H3,(H,40,48)(H,41,47)(H,42,49)(H,51,52)
+CH$LINK: CHEBI 214825
+CH$LINK: PUBCHEM CID:146683924
+CH$LINK: INCHIKEY KXRLIMLXCPEJPD-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 76-762
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.416 min
+MS$FOCUSED_ION: BASE_PEAK 728.3857
+MS$FOCUSED_ION: PRECURSOR_M/Z 726.4073
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-01q9-0191010000-2cca7194958588fcea5e
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  136.076 C8H10NO+ 1 136.0757 2.31
+  142.1587 C9H20N+ 1 142.159 -2.35
+  223.1066 C9H13N5O2+ 1 223.1064 0.99
+  233.1275 C11H15N5O+ 2 233.1271 1.77
+  261.1223 C12H15N5O2+ 2 261.122 0.87
+  345.1439 C18H21N2O5+ 2 345.1445 -1.85
+  567.2421 C29H35N4O8+ 2 567.2449 -4.98
+PK$NUM_PEAK: 7
+PK$PEAK: m/z int. rel.int.
+  136.076 11514 79
+  142.1587 45639.5 315
+  223.1066 35146.7 242
+  233.1275 144509.4 999
+  261.1223 122443.8 846
+  345.1439 57864.5 400
+  567.2421 43103.6 297
+//
diff --git a/Eawag/MSBNK-EAWAG-ED097505.txt b/Eawag/MSBNK-EAWAG-ED097505.txt
new file mode 100644
index 0000000000..a1802b2d69
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED097505.txt
@@ -0,0 +1,52 @@
+ACCESSION: MSBNK-EAWAG-ED097505
+RECORD_TITLE: Microginin FR5; LC-ESI-QFT; MS2; CE: 35%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.05.01
+AUTHORS: E. Janssen [dtc], X. Wang [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 975
+CH$NAME: Microginin FR5
+CH$NAME: 2-[[2-[[1-[2-[(3-amino-2-hydroxydecanoyl)amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C38H55N5O9
+CH$EXACT_MASS: 725.3999783
+CH$SMILES: OC(C(CCCCCCC)N)C(NC(C(C)C)C(N1CCCC1C(NC(CC2=CC=C(C=C2)O)C(NC(C(O)=O)CC3=CC=C(O)C=C3)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C38H55N5O9/c1-4-5-6-7-8-10-28(39)33(46)36(49)42-32(23(2)3)37(50)43-20-9-11-31(43)35(48)40-29(21-24-12-16-26(44)17-13-24)34(47)41-30(38(51)52)22-25-14-18-27(45)19-15-25/h12-19,23,28-33,44-46H,4-11,20-22,39H2,1-3H3,(H,40,48)(H,41,47)(H,42,49)(H,51,52)
+CH$LINK: CHEBI 214825
+CH$LINK: PUBCHEM CID:146683924
+CH$LINK: INCHIKEY KXRLIMLXCPEJPD-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 35 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 76-762
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.416 min
+MS$FOCUSED_ION: BASE_PEAK 728.3857
+MS$FOCUSED_ION: PRECURSOR_M/Z 726.4073
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-001i-0290000000-920245aacb76530d21e5
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  136.0755 C8H10NO+ 1 136.0757 -1.28
+  195.112 C10H15N2O2+ 2 195.1128 -4.07
+  223.1069 C9H13N5O2+ 2 223.1064 2.42
+  233.1273 C11H15N5O+ 2 233.1271 0.85
+  261.1227 C12H15N5O2+ 2 261.122 2.39
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  136.0755 49039.5 286
+  195.112 26577.8 155
+  223.1069 35394.8 206
+  233.1273 171241.1 999
+  261.1227 61767.7 360
+//
diff --git a/Eawag/MSBNK-EAWAG-ED097506.txt b/Eawag/MSBNK-EAWAG-ED097506.txt
new file mode 100644
index 0000000000..4336811dcc
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED097506.txt
@@ -0,0 +1,48 @@
+ACCESSION: MSBNK-EAWAG-ED097506
+RECORD_TITLE: Microginin FR5; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.05.01
+AUTHORS: E. Janssen [dtc], X. Wang [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 975
+CH$NAME: Microginin FR5
+CH$NAME: 2-[[2-[[1-[2-[(3-amino-2-hydroxydecanoyl)amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C38H55N5O9
+CH$EXACT_MASS: 725.3999783
+CH$SMILES: OC(C(CCCCCCC)N)C(NC(C(C)C)C(N1CCCC1C(NC(CC2=CC=C(C=C2)O)C(NC(C(O)=O)CC3=CC=C(O)C=C3)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C38H55N5O9/c1-4-5-6-7-8-10-28(39)33(46)36(49)42-32(23(2)3)37(50)43-20-9-11-31(43)35(48)40-29(21-24-12-16-26(44)17-13-24)34(47)41-30(38(51)52)22-25-14-18-27(45)19-15-25/h12-19,23,28-33,44-46H,4-11,20-22,39H2,1-3H3,(H,40,48)(H,41,47)(H,42,49)(H,51,52)
+CH$LINK: CHEBI 214825
+CH$LINK: PUBCHEM CID:146683924
+CH$LINK: INCHIKEY KXRLIMLXCPEJPD-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 76-762
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.416 min
+MS$FOCUSED_ION: BASE_PEAK 728.3857
+MS$FOCUSED_ION: PRECURSOR_M/Z 726.4073
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-001r-0790000000-dfd35371c229e1f540d8
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  136.0756 C8H10NO+ 1 136.0757 -0.83
+  195.1125 C10H15N2O2+ 1 195.1128 -1.42
+  233.1275 C11H15N5O+ 2 233.1271 1.57
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  136.0756 85052.5 615
+  195.1125 30713.9 222
+  233.1275 137983.4 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED097507.txt b/Eawag/MSBNK-EAWAG-ED097507.txt
new file mode 100644
index 0000000000..401132e776
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED097507.txt
@@ -0,0 +1,48 @@
+ACCESSION: MSBNK-EAWAG-ED097507
+RECORD_TITLE: Microginin FR5; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.05.01
+AUTHORS: E. Janssen [dtc], X. Wang [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 975
+CH$NAME: Microginin FR5
+CH$NAME: 2-[[2-[[1-[2-[(3-amino-2-hydroxydecanoyl)amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C38H55N5O9
+CH$EXACT_MASS: 725.3999783
+CH$SMILES: OC(C(CCCCCCC)N)C(NC(C(C)C)C(N1CCCC1C(NC(CC2=CC=C(C=C2)O)C(NC(C(O)=O)CC3=CC=C(O)C=C3)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C38H55N5O9/c1-4-5-6-7-8-10-28(39)33(46)36(49)42-32(23(2)3)37(50)43-20-9-11-31(43)35(48)40-29(21-24-12-16-26(44)17-13-24)34(47)41-30(38(51)52)22-25-14-18-27(45)19-15-25/h12-19,23,28-33,44-46H,4-11,20-22,39H2,1-3H3,(H,40,48)(H,41,47)(H,42,49)(H,51,52)
+CH$LINK: CHEBI 214825
+CH$LINK: PUBCHEM CID:146683924
+CH$LINK: INCHIKEY KXRLIMLXCPEJPD-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 76-762
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.416 min
+MS$FOCUSED_ION: BASE_PEAK 728.3857
+MS$FOCUSED_ION: PRECURSOR_M/Z 726.4073
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-000i-0900000000-54ee16ba81bac3eb2b3a
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  136.0756 C8H10NO+ 1 136.0757 -0.94
+  142.159 C9H20N+ 1 142.159 -0.53
+  195.1123 C10H15N2O2+ 2 195.1128 -2.67
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  136.0756 108029.4 999
+  142.159 51430 475
+  195.1123 30142.2 278
+//
diff --git a/Eawag/MSBNK-EAWAG-ED099301.txt b/Eawag/MSBNK-EAWAG-ED099301.txt
new file mode 100644
index 0000000000..500bb9a51b
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED099301.txt
@@ -0,0 +1,69 @@
+ACCESSION: MSBNK-EAWAG-ED099301
+RECORD_TITLE: Bartoloside F; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.6b00351
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 993
+CH$NAME: Bartoloside F
+CH$NAME: (2S,3R,4S,5R)-2-(2-(6-chlorododecyl)-5-(6-chlorotetradecyl)-3-hydroxyphenoxy)tetrahydro-2H-pyran-3,4,5-triol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C37H64Cl2O6
+CH$EXACT_MASS: 674.4079951
+CH$SMILES: CCCCCCCCC(CCCCCC1=CC(=C(C(=C1)O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)CCCCCC(CCCCCC)Cl)O)Cl
+CH$IUPAC: InChI=1S/C37H64Cl2O6/c1-3-5-7-9-10-15-21-30(39)22-16-11-13-19-28-25-32(40)31(24-18-12-17-23-29(38)20-14-8-6-4-2)34(26-28)45-37-36(43)35(42)33(41)27-44-37/h25-26,29-30,33,35-37,40-43H,3-24,27H2,1-2H3/t29?,30?,33-,35+,36-,37+/m1/s1
+CH$LINK: PUBCHEM CID:132582909
+CH$LINK: INCHIKEY IWIZOMWAHIZTOM-ZQWJTRQNSA-N
+CH$LINK: CHEMSPIDER 58197376
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 70-710
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 17.076 min
+MS$FOCUSED_ION: BASE_PEAK 543.3727
+MS$FOCUSED_ION: PRECURSOR_M/Z 675.4153
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-002f-0000097000-fcc9bf2bed3b56d9fc46
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  73.0284 C3H5O2+ 1 73.0284 -0.43
+  115.0388 C5H7O3+ 1 115.039 -1.57
+  399.2524 C25H35O4+ 2 399.253 -1.45
+  435.2278 C19H41Cl2O6+ 2 435.2275 0.78
+  449.2462 C26H38ClO4+ 2 449.2453 2.05
+  507.3957 C32H56ClO2+ 2 507.3963 -1.28
+  543.3728 C32H57Cl2O2+ 1 543.373 -0.33
+  585.3861 C34H59Cl2O3+ 1 585.3836 4.39
+  603.417 C37H60ClO4+ 2 603.4175 -0.7
+  609.381 C36H59Cl2O3+ 1 609.3836 -4.27
+  639.3936 C37H61Cl2O4+ 1 639.3941 -0.9
+  657.4052 C37H63Cl2O5+ 1 657.4047 0.71
+  675.4152 C37H65Cl2O6+ 1 675.4153 -0.11
+PK$NUM_PEAK: 13
+PK$PEAK: m/z int. rel.int.
+  73.0284 474748.2 48
+  115.0388 234552.7 24
+  399.2524 101437.9 10
+  435.2278 196701.8 20
+  449.2462 417219 42
+  507.3957 550652.2 56
+  543.3728 9742785 999
+  585.3861 375239 38
+  603.417 1223947.1 125
+  609.381 124977.8 12
+  639.3936 1906832.4 195
+  657.4052 131232.4 13
+  675.4152 4998497 512
+//
diff --git a/Eawag/MSBNK-EAWAG-ED099302.txt b/Eawag/MSBNK-EAWAG-ED099302.txt
new file mode 100644
index 0000000000..421cc00dc7
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED099302.txt
@@ -0,0 +1,73 @@
+ACCESSION: MSBNK-EAWAG-ED099302
+RECORD_TITLE: Bartoloside F; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.6b00351
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 993
+CH$NAME: Bartoloside F
+CH$NAME: (2S,3R,4S,5R)-2-(2-(6-chlorododecyl)-5-(6-chlorotetradecyl)-3-hydroxyphenoxy)tetrahydro-2H-pyran-3,4,5-triol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C37H64Cl2O6
+CH$EXACT_MASS: 674.4079951
+CH$SMILES: CCCCCCCCC(CCCCCC1=CC(=C(C(=C1)O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)CCCCCC(CCCCCC)Cl)O)Cl
+CH$IUPAC: InChI=1S/C37H64Cl2O6/c1-3-5-7-9-10-15-21-30(39)22-16-11-13-19-28-25-32(40)31(24-18-12-17-23-29(38)20-14-8-6-4-2)34(26-28)45-37-36(43)35(42)33(41)27-44-37/h25-26,29-30,33,35-37,40-43H,3-24,27H2,1-2H3/t29?,30?,33-,35+,36-,37+/m1/s1
+CH$LINK: PUBCHEM CID:132582909
+CH$LINK: INCHIKEY IWIZOMWAHIZTOM-ZQWJTRQNSA-N
+CH$LINK: CHEMSPIDER 58197376
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 70-710
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 17.076 min
+MS$FOCUSED_ION: BASE_PEAK 543.3727
+MS$FOCUSED_ION: PRECURSOR_M/Z 675.4153
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0006-1000192000-b9a5e1731874017664d0
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  73.0284 C3H5O2+ 1 73.0284 -0.32
+  115.0388 C5H7O3+ 1 115.039 -1.77
+  233.0804 C13H13O4+ 1 233.0808 -1.89
+  303.2313 C20H31O2+ 1 303.2319 -1.95
+  317.2476 C21H33O2+ 1 317.2475 0.24
+  353.2239 C21H34ClO2+ 1 353.2242 -0.68
+  413.2684 C26H37O4+ 2 413.2686 -0.69
+  449.2454 C26H38ClO4+ 2 449.2453 0.21
+  471.4181 C32H55O2+ 2 471.4197 -3.35
+  507.3964 C32H56ClO2+ 2 507.3963 0.04
+  531.396 C34H56ClO2+ 2 531.3963 -0.61
+  543.3727 C32H57Cl2O2+ 1 543.373 -0.66
+  603.4181 C37H60ClO4+ 2 603.4175 1.12
+  657.4021 C37H63Cl2O5+ 1 657.4047 -4.02
+  675.4151 C37H65Cl2O6+ 1 675.4153 -0.29
+PK$NUM_PEAK: 15
+PK$PEAK: m/z int. rel.int.
+  73.0284 1567638.8 193
+  115.0388 507884.5 62
+  233.0804 185286.4 22
+  303.2313 133193.9 16
+  317.2476 267397.3 32
+  353.2239 620030.8 76
+  413.2684 566529.1 69
+  449.2454 500012.6 61
+  471.4181 369485.2 45
+  507.3964 2472791 304
+  531.396 292288.1 36
+  543.3727 8100308 999
+  603.4181 650820.9 80
+  657.4021 242260.7 29
+  675.4151 2536421.8 312
+//
diff --git a/Eawag/MSBNK-EAWAG-ED099303.txt b/Eawag/MSBNK-EAWAG-ED099303.txt
new file mode 100644
index 0000000000..25c3cd05ad
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED099303.txt
@@ -0,0 +1,99 @@
+ACCESSION: MSBNK-EAWAG-ED099303
+RECORD_TITLE: Bartoloside F; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.6b00351
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 993
+CH$NAME: Bartoloside F
+CH$NAME: (2S,3R,4S,5R)-2-(2-(6-chlorododecyl)-5-(6-chlorotetradecyl)-3-hydroxyphenoxy)tetrahydro-2H-pyran-3,4,5-triol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C37H64Cl2O6
+CH$EXACT_MASS: 674.4079951
+CH$SMILES: CCCCCCCCC(CCCCCC1=CC(=C(C(=C1)O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)CCCCCC(CCCCCC)Cl)O)Cl
+CH$IUPAC: InChI=1S/C37H64Cl2O6/c1-3-5-7-9-10-15-21-30(39)22-16-11-13-19-28-25-32(40)31(24-18-12-17-23-29(38)20-14-8-6-4-2)34(26-28)45-37-36(43)35(42)33(41)27-44-37/h25-26,29-30,33,35-37,40-43H,3-24,27H2,1-2H3/t29?,30?,33-,35+,36-,37+/m1/s1
+CH$LINK: PUBCHEM CID:132582909
+CH$LINK: INCHIKEY IWIZOMWAHIZTOM-ZQWJTRQNSA-N
+CH$LINK: CHEMSPIDER 58197376
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 70-710
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 17.076 min
+MS$FOCUSED_ION: BASE_PEAK 543.3727
+MS$FOCUSED_ION: PRECURSOR_M/Z 675.4153
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0kml-3215290000-c15f8cccbd61932b343e
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  73.0284 C3H5O2+ 1 73.0284 -0.01
+  85.0284 C4H5O2+ 1 85.0284 -0.55
+  97.0287 C5H5O2+ 1 97.0284 2.91
+  115.0389 C5H7O3+ 1 115.039 -1.04
+  133.05 C5H9O4+ 1 133.0495 3.67
+  137.0596 C8H9O2+ 1 137.0597 -0.68
+  161.0597 C10H9O2+ 1 161.0597 -0.19
+  163.0755 C10H11O2+ 1 163.0754 0.67
+  177.091 C11H13O2+ 1 177.091 -0.22
+  195.0207 C10H8ClO2+ 1 195.0207 -0.01
+  201.0908 C13H13O2+ 1 201.091 -1.01
+  233.0801 C13H13O4+ 1 233.0808 -3.01
+  259.0969 C15H15O4+ 1 259.0965 1.54
+  273.112 C16H17O4+ 1 273.1121 -0.37
+  303.231 C20H31O2+ 2 303.2319 -2.76
+  317.2472 C21H33O2+ 1 317.2475 -0.91
+  327.2312 C22H31O2+ 2 327.2319 -2.05
+  353.2233 C21H34ClO2+ 2 353.2242 -2.41
+  363.2091 C22H32ClO2+ 2 363.2085 1.43
+  377.2238 C23H34ClO2+ 2 377.2242 -0.97
+  399.2528 C25H35O4+ 1 399.253 -0.38
+  413.2687 C26H37O4+ 1 413.2686 0.05
+  471.4199 C32H55O2+ 1 471.4197 0.53
+  495.4204 C34H55O2+ 1 495.4197 1.4
+  507.396 C32H56ClO2+ 2 507.3963 -0.74
+  531.3982 C34H56ClO2+ 1 531.3963 3.53
+  543.3726 C32H57Cl2O2+ 1 543.373 -0.77
+  675.4165 C37H65Cl2O6+ 1 675.4153 1.79
+PK$NUM_PEAK: 28
+PK$PEAK: m/z int. rel.int.
+  73.0284 2177915.2 796
+  85.0284 62253.1 22
+  97.0287 160646.9 58
+  115.0389 488578.3 178
+  133.05 106793.9 39
+  137.0596 269450.1 98
+  161.0597 230416.3 84
+  163.0755 134420.4 49
+  177.091 301923.2 110
+  195.0207 117847.3 43
+  201.0908 82631.3 30
+  233.0801 368334.5 134
+  259.0969 73017.8 26
+  273.112 312292 114
+  303.231 536722.8 196
+  317.2472 1124885.1 411
+  327.2312 131374.6 48
+  353.2233 1152312.8 421
+  363.2091 97038.5 35
+  377.2238 284176.2 103
+  399.2528 228565.4 83
+  413.2687 355848.9 130
+  471.4199 1105171.2 404
+  495.4204 117219.9 42
+  507.396 2732514.8 999
+  531.3982 257668.6 94
+  543.3726 2710175 990
+  675.4165 394412.9 144
+//
diff --git a/Eawag/MSBNK-EAWAG-ED099304.txt b/Eawag/MSBNK-EAWAG-ED099304.txt
new file mode 100644
index 0000000000..f5d483a1b0
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED099304.txt
@@ -0,0 +1,103 @@
+ACCESSION: MSBNK-EAWAG-ED099304
+RECORD_TITLE: Bartoloside F; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.6b00351
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 993
+CH$NAME: Bartoloside F
+CH$NAME: (2S,3R,4S,5R)-2-(2-(6-chlorododecyl)-5-(6-chlorotetradecyl)-3-hydroxyphenoxy)tetrahydro-2H-pyran-3,4,5-triol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C37H64Cl2O6
+CH$EXACT_MASS: 674.4079951
+CH$SMILES: CCCCCCCCC(CCCCCC1=CC(=C(C(=C1)O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)CCCCCC(CCCCCC)Cl)O)Cl
+CH$IUPAC: InChI=1S/C37H64Cl2O6/c1-3-5-7-9-10-15-21-30(39)22-16-11-13-19-28-25-32(40)31(24-18-12-17-23-29(38)20-14-8-6-4-2)34(26-28)45-37-36(43)35(42)33(41)27-44-37/h25-26,29-30,33,35-37,40-43H,3-24,27H2,1-2H3/t29?,30?,33-,35+,36-,37+/m1/s1
+CH$LINK: PUBCHEM CID:132582909
+CH$LINK: INCHIKEY IWIZOMWAHIZTOM-ZQWJTRQNSA-N
+CH$LINK: CHEMSPIDER 58197376
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 70-710
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 17.076 min
+MS$FOCUSED_ION: BASE_PEAK 543.3727
+MS$FOCUSED_ION: PRECURSOR_M/Z 675.4153
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0g4i-6928230000-3e77366ccff1ac55da20
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  73.0284 C3H5O2+ 1 73.0284 -0.32
+  83.0856 C6H11+ 1 83.0855 0.95
+  85.0283 C4H5O2+ 1 85.0284 -0.82
+  97.0284 C5H5O2+ 1 97.0284 0.39
+  97.1015 C7H13+ 1 97.1012 3.44
+  109.1012 C8H13+ 1 109.1012 0.12
+  111.117 C8H15+ 1 111.1168 1.22
+  115.0387 C5H7O3+ 1 115.039 -2.3
+  137.0596 C8H9O2+ 1 137.0597 -1.02
+  161.0593 C10H9O2+ 1 161.0597 -2.65
+  163.0752 C10H11O2+ 1 163.0754 -1.11
+  171.0207 C8H8ClO2+ 1 171.0207 0.08
+  177.0908 C11H13O2+ 1 177.091 -1.43
+  187.0755 C12H11O2+ 1 187.0754 0.83
+  191.1063 C12H15O2+ 1 191.1067 -2.09
+  195.0204 C10H8ClO2+ 1 195.0207 -1.73
+  233.0799 C13H13O4+ 1 233.0808 -3.99
+  267.0417 C13H12ClO4+ 1 267.0419 -0.74
+  273.1113 C16H17O4+ 1 273.1121 -2.94
+  289.2155 C19H29O2+ 1 289.2162 -2.45
+  303.2309 C20H31O2+ 2 303.2319 -3.06
+  317.247 C21H33O2+ 1 317.2475 -1.68
+  327.232 C22H31O2+ 1 327.2319 0.38
+  341.2462 C23H33O2+ 2 341.2475 -3.84
+  353.2237 C21H34ClO2+ 2 353.2242 -1.37
+  413.2692 C26H37O4+ 1 413.2686 1.45
+  471.4191 C32H55O2+ 2 471.4197 -1.28
+  507.3963 C32H56ClO2+ 2 507.3963 -0.08
+  531.3963 C34H56ClO2+ 2 531.3963 -0.15
+  543.3745 C32H57Cl2O2+ 1 543.373 2.82
+PK$NUM_PEAK: 30
+PK$PEAK: m/z int. rel.int.
+  73.0284 2392532.8 999
+  83.0856 75378.7 31
+  85.0283 155006.2 64
+  97.0284 181534.1 75
+  97.1015 111204.5 46
+  109.1012 37228.7 15
+  111.117 42675.6 17
+  115.0387 376111.1 157
+  137.0596 1156830.2 483
+  161.0593 423125.8 176
+  163.0752 451847.5 188
+  171.0207 176440.3 73
+  177.0908 932752 389
+  187.0755 96852.5 40
+  191.1063 203118.9 84
+  195.0204 203780.5 85
+  233.0799 617931.7 258
+  267.0417 187442.9 78
+  273.1113 268365.9 112
+  289.2155 125194.6 52
+  303.2309 864011.1 360
+  317.247 1804333.5 753
+  327.232 101969.6 42
+  341.2462 212908 88
+  353.2237 850989.2 355
+  413.2692 173639.9 72
+  471.4191 1029502.8 429
+  507.3963 1097961.4 458
+  531.3963 127054.3 53
+  543.3745 470042 196
+//
diff --git a/Eawag/MSBNK-EAWAG-ED099305.txt b/Eawag/MSBNK-EAWAG-ED099305.txt
new file mode 100644
index 0000000000..1d06025dc0
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED099305.txt
@@ -0,0 +1,101 @@
+ACCESSION: MSBNK-EAWAG-ED099305
+RECORD_TITLE: Bartoloside F; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.6b00351
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 993
+CH$NAME: Bartoloside F
+CH$NAME: (2S,3R,4S,5R)-2-(2-(6-chlorododecyl)-5-(6-chlorotetradecyl)-3-hydroxyphenoxy)tetrahydro-2H-pyran-3,4,5-triol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C37H64Cl2O6
+CH$EXACT_MASS: 674.4079951
+CH$SMILES: CCCCCCCCC(CCCCCC1=CC(=C(C(=C1)O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)CCCCCC(CCCCCC)Cl)O)Cl
+CH$IUPAC: InChI=1S/C37H64Cl2O6/c1-3-5-7-9-10-15-21-30(39)22-16-11-13-19-28-25-32(40)31(24-18-12-17-23-29(38)20-14-8-6-4-2)34(26-28)45-37-36(43)35(42)33(41)27-44-37/h25-26,29-30,33,35-37,40-43H,3-24,27H2,1-2H3/t29?,30?,33-,35+,36-,37+/m1/s1
+CH$LINK: PUBCHEM CID:132582909
+CH$LINK: INCHIKEY IWIZOMWAHIZTOM-ZQWJTRQNSA-N
+CH$LINK: CHEMSPIDER 58197376
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 70-710
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 17.076 min
+MS$FOCUSED_ION: BASE_PEAK 543.3727
+MS$FOCUSED_ION: PRECURSOR_M/Z 675.4153
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-01y9-3901000000-61d081cfaa97285c8731
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  71.013 C3H3O2+ 1 71.0128 3.07
+  73.0284 C3H5O2+ 1 73.0284 -0.01
+  81.0701 C6H9+ 1 81.0699 2.25
+  83.0855 C6H11+ 1 83.0855 -0.43
+  85.0282 C4H5O2+ 1 85.0284 -1.9
+  87.0441 C4H7O2+ 1 87.0441 0.28
+  95.0858 C7H11+ 1 95.0855 3.22
+  97.0286 C5H5O2+ 1 97.0284 1.57
+  97.1011 C7H13+ 1 97.1012 -0.88
+  109.1012 C8H13+ 1 109.1012 0.05
+  111.1167 C8H15+ 1 111.1168 -0.84
+  115.0387 C5H7O3+ 1 115.039 -2.03
+  123.0443 C7H7O2+ 1 123.0441 1.73
+  137.0596 C8H9O2+ 1 137.0597 -1.02
+  147.0442 C9H7O2+ 1 147.0441 0.79
+  149.06 C9H9O2+ 1 149.0597 2.12
+  151.0749 C9H11O2+ 1 151.0754 -2.82
+  161.0596 C10H9O2+ 1 161.0597 -0.76
+  163.0752 C10H11O2+ 1 163.0754 -0.92
+  171.0206 C8H8ClO2+ 1 171.0207 -0.72
+  175.0755 C11H11O2+ 1 175.0754 0.94
+  177.0907 C11H13O2+ 1 177.091 -1.86
+  179.07 C10H11O3+ 1 179.0703 -1.4
+  187.0752 C12H11O2+ 1 187.0754 -0.8
+  191.1066 C12H15O2+ 1 191.1067 -0.26
+  215.1063 C14H15O2+ 1 215.1067 -1.43
+  303.2317 C20H31O2+ 1 303.2319 -0.65
+  317.2469 C21H33O2+ 2 317.2475 -2.07
+  341.2477 C23H33O2+ 1 341.2475 0.63
+PK$NUM_PEAK: 29
+PK$PEAK: m/z int. rel.int.
+  71.013 47988.1 16
+  73.0284 2259371.5 790
+  81.0701 82712.3 28
+  83.0855 249657.7 87
+  85.0282 169162.5 59
+  87.0441 40401.4 14
+  95.0858 97048.5 33
+  97.0286 233435.3 81
+  97.1011 199513.9 69
+  109.1012 57829.3 20
+  111.1167 58364.1 20
+  115.0387 165718.1 58
+  123.0443 166685.4 58
+  137.0596 2853542 999
+  147.0442 53565.3 18
+  149.06 90818.6 31
+  151.0749 145879.2 51
+  161.0596 686222.6 240
+  163.0752 1048500 367
+  171.0206 315671.5 110
+  175.0755 80673.3 28
+  177.0907 1474594 516
+  179.07 106217.5 37
+  187.0752 117178.1 41
+  191.1066 273943.6 95
+  215.1063 91007 31
+  303.2317 275116.8 96
+  317.2469 547925.8 191
+  341.2477 91864.2 32
+//
diff --git a/Eawag/MSBNK-EAWAG-ED099306.txt b/Eawag/MSBNK-EAWAG-ED099306.txt
new file mode 100644
index 0000000000..21e53a83aa
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED099306.txt
@@ -0,0 +1,93 @@
+ACCESSION: MSBNK-EAWAG-ED099306
+RECORD_TITLE: Bartoloside F; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.6b00351
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 993
+CH$NAME: Bartoloside F
+CH$NAME: (2S,3R,4S,5R)-2-(2-(6-chlorododecyl)-5-(6-chlorotetradecyl)-3-hydroxyphenoxy)tetrahydro-2H-pyran-3,4,5-triol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C37H64Cl2O6
+CH$EXACT_MASS: 674.4079951
+CH$SMILES: CCCCCCCCC(CCCCCC1=CC(=C(C(=C1)O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)CCCCCC(CCCCCC)Cl)O)Cl
+CH$IUPAC: InChI=1S/C37H64Cl2O6/c1-3-5-7-9-10-15-21-30(39)22-16-11-13-19-28-25-32(40)31(24-18-12-17-23-29(38)20-14-8-6-4-2)34(26-28)45-37-36(43)35(42)33(41)27-44-37/h25-26,29-30,33,35-37,40-43H,3-24,27H2,1-2H3/t29?,30?,33-,35+,36-,37+/m1/s1
+CH$LINK: PUBCHEM CID:132582909
+CH$LINK: INCHIKEY IWIZOMWAHIZTOM-ZQWJTRQNSA-N
+CH$LINK: CHEMSPIDER 58197376
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 70-710
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 17.076 min
+MS$FOCUSED_ION: BASE_PEAK 543.3727
+MS$FOCUSED_ION: PRECURSOR_M/Z 675.4153
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0079-4900000000-d859f95646b0739aed2e
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  71.0128 C3H3O2+ 1 71.0128 0.6
+  73.0284 C3H5O2+ 1 73.0284 0.3
+  81.07 C6H9+ 1 81.0699 1.59
+  83.0856 C6H11+ 1 83.0855 0.58
+  85.0283 C4H5O2+ 1 85.0284 -1.27
+  95.0857 C7H11+ 1 95.0855 1.3
+  97.0283 C5H5O2+ 1 97.0284 -0.79
+  97.1011 C7H13+ 1 97.1012 -0.49
+  109.1015 C8H13+ 1 109.1012 2.85
+  123.0439 C7H7O2+ 1 123.0441 -1.61
+  135.0435 C8H7O2+ 1 135.0441 -4.32
+  137.0596 C8H9O2+ 1 137.0597 -0.57
+  147.0441 C9H7O2+ 1 147.0441 0.17
+  151.0748 C9H11O2+ 1 151.0754 -3.52
+  159.044 C10H7O2+ 1 159.0441 -0.51
+  161.0595 C10H9O2+ 1 161.0597 -1.04
+  163.0752 C10H11O2+ 1 163.0754 -1.01
+  171.0205 C8H8ClO2+ 1 171.0207 -1.07
+  173.0593 C11H9O2+ 1 173.0597 -2.1
+  177.0908 C11H13O2+ 1 177.091 -1.17
+  179.0699 C10H11O3+ 1 179.0703 -2.34
+  187.0747 C12H11O2+ 1 187.0754 -3.58
+  195.0201 C10H8ClO2+ 1 195.0207 -3.21
+  203.0699 C12H11O3+ 1 203.0703 -1.83
+  233.0804 C13H13O4+ 1 233.0808 -1.76
+PK$NUM_PEAK: 25
+PK$PEAK: m/z int. rel.int.
+  71.0128 43379.5 13
+  73.0284 2287248.2 738
+  81.07 103286.5 33
+  83.0856 297200.1 95
+  85.0283 240883.3 77
+  95.0857 124543.4 40
+  97.0283 166977.6 53
+  97.1011 149433.8 48
+  109.1015 35940.8 11
+  123.0439 343220.4 110
+  135.0435 185179.2 59
+  137.0596 3095645.5 999
+  147.0441 58374.5 18
+  151.0748 236829.6 76
+  159.044 118828.5 38
+  161.0595 628770.6 202
+  163.0752 898374.3 289
+  171.0205 238888.7 77
+  173.0593 73475.8 23
+  177.0908 1012171 326
+  179.0699 103348.8 33
+  187.0747 158641.3 51
+  195.0201 208404 67
+  203.0699 99568.3 32
+  233.0804 392242.9 126
+//
diff --git a/Eawag/MSBNK-EAWAG-ED099307.txt b/Eawag/MSBNK-EAWAG-ED099307.txt
new file mode 100644
index 0000000000..f0c16b996b
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED099307.txt
@@ -0,0 +1,103 @@
+ACCESSION: MSBNK-EAWAG-ED099307
+RECORD_TITLE: Bartoloside F; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.6b00351
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 993
+CH$NAME: Bartoloside F
+CH$NAME: (2S,3R,4S,5R)-2-(2-(6-chlorododecyl)-5-(6-chlorotetradecyl)-3-hydroxyphenoxy)tetrahydro-2H-pyran-3,4,5-triol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C37H64Cl2O6
+CH$EXACT_MASS: 674.4079951
+CH$SMILES: CCCCCCCCC(CCCCCC1=CC(=C(C(=C1)O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)CCCCCC(CCCCCC)Cl)O)Cl
+CH$IUPAC: InChI=1S/C37H64Cl2O6/c1-3-5-7-9-10-15-21-30(39)22-16-11-13-19-28-25-32(40)31(24-18-12-17-23-29(38)20-14-8-6-4-2)34(26-28)45-37-36(43)35(42)33(41)27-44-37/h25-26,29-30,33,35-37,40-43H,3-24,27H2,1-2H3/t29?,30?,33-,35+,36-,37+/m1/s1
+CH$LINK: PUBCHEM CID:132582909
+CH$LINK: INCHIKEY IWIZOMWAHIZTOM-ZQWJTRQNSA-N
+CH$LINK: CHEMSPIDER 58197376
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 70-710
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 17.076 min
+MS$FOCUSED_ION: BASE_PEAK 543.3727
+MS$FOCUSED_ION: PRECURSOR_M/Z 675.4153
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0079-3900000000-3d53321b5ae519acac75
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  71.0129 C3H3O2+ 1 71.0128 1.99
+  73.0285 C3H5O2+ 1 73.0284 0.72
+  81.0697 C6H9+ 1 81.0699 -1.98
+  83.0857 C6H11+ 1 83.0855 1.59
+  95.0857 C7H11+ 1 95.0855 2.34
+  97.0285 C5H5O2+ 1 97.0284 0.94
+  97.1012 C7H13+ 1 97.1012 0.14
+  121.065 C8H9O+ 1 121.0648 1.59
+  123.0441 C7H7O2+ 1 123.0441 0.25
+  135.0441 C8H7O2+ 1 135.0441 0.09
+  135.0808 C9H11O+ 1 135.0804 2.85
+  137.0597 C8H9O2+ 1 137.0597 -0.35
+  147.0442 C9H7O2+ 1 147.0441 0.69
+  149.0957 C10H13O+ 1 149.0961 -2.64
+  151.0754 C9H11O2+ 1 151.0754 0.41
+  159.0445 C10H7O2+ 1 159.0441 2.76
+  161.0596 C10H9O2+ 1 161.0597 -0.85
+  163.0753 C10H11O2+ 1 163.0754 -0.45
+  171.0207 C8H8ClO2+ 1 171.0207 -0.27
+  174.0674 C11H10O2+ 1 174.0675 -0.79
+  175.0751 C11H11O2+ 1 175.0754 -1.5
+  177.091 C11H13O2+ 1 177.091 -0.14
+  179.0703 C10H11O3+ 1 179.0703 0.39
+  185.0364 C9H10ClO2+ 1 185.0364 0.11
+  191.1064 C12H15O2+ 1 191.1067 -1.54
+  195.021 C10H8ClO2+ 1 195.0207 1.32
+  201.0912 C13H13O2+ 1 201.091 0.81
+  203.07 C12H11O3+ 1 203.0703 -1.53
+  209.0368 C11H10ClO2+ 1 209.0364 1.86
+  233.0804 C13H13O4+ 1 233.0808 -2.02
+PK$NUM_PEAK: 30
+PK$PEAK: m/z int. rel.int.
+  71.0129 47482.3 19
+  73.0285 1997188.5 807
+  81.0697 164055.5 66
+  83.0857 165494.7 66
+  95.0857 101480.1 41
+  97.0285 64366.8 26
+  97.1012 53764.6 21
+  121.065 52126.8 21
+  123.0441 360191.8 145
+  135.0441 218887.4 88
+  135.0808 55876.2 22
+  137.0597 2471594.8 999
+  147.0442 79778 32
+  149.0957 38446.7 15
+  151.0754 219272.9 88
+  159.0445 95787.8 38
+  161.0596 601355.1 243
+  163.0753 560799.8 226
+  171.0207 181809.2 73
+  174.0674 108038.2 43
+  175.0751 263531.5 106
+  177.091 517818.3 209
+  179.0703 87729.1 35
+  185.0364 65202 26
+  191.1064 129362.9 52
+  195.021 94064.1 38
+  201.0912 84528.4 34
+  203.07 77760.2 31
+  209.0368 44017.1 17
+  233.0804 144065.1 58
+//
diff --git a/Eawag/MSBNK-EAWAG-ED099308.txt b/Eawag/MSBNK-EAWAG-ED099308.txt
new file mode 100644
index 0000000000..0dab5135fb
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED099308.txt
@@ -0,0 +1,93 @@
+ACCESSION: MSBNK-EAWAG-ED099308
+RECORD_TITLE: Bartoloside F; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.6b00351
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 993
+CH$NAME: Bartoloside F
+CH$NAME: (2S,3R,4S,5R)-2-(2-(6-chlorododecyl)-5-(6-chlorotetradecyl)-3-hydroxyphenoxy)tetrahydro-2H-pyran-3,4,5-triol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C37H64Cl2O6
+CH$EXACT_MASS: 674.4079951
+CH$SMILES: CCCCCCCCC(CCCCCC1=CC(=C(C(=C1)O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)CCCCCC(CCCCCC)Cl)O)Cl
+CH$IUPAC: InChI=1S/C37H64Cl2O6/c1-3-5-7-9-10-15-21-30(39)22-16-11-13-19-28-25-32(40)31(24-18-12-17-23-29(38)20-14-8-6-4-2)34(26-28)45-37-36(43)35(42)33(41)27-44-37/h25-26,29-30,33,35-37,40-43H,3-24,27H2,1-2H3/t29?,30?,33-,35+,36-,37+/m1/s1
+CH$LINK: PUBCHEM CID:132582909
+CH$LINK: INCHIKEY IWIZOMWAHIZTOM-ZQWJTRQNSA-N
+CH$LINK: CHEMSPIDER 58197376
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 70-710
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 17.076 min
+MS$FOCUSED_ION: BASE_PEAK 543.3727
+MS$FOCUSED_ION: PRECURSOR_M/Z 675.4153
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0079-3900000000-819321aa7d1a98059e3c
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  73.0284 C3H5O2+ 1 73.0284 -0.01
+  79.0543 C6H7+ 1 79.0542 0.73
+  81.0698 C6H9+ 1 81.0699 -1.42
+  83.0129 C4H3O2+ 1 83.0128 1.52
+  91.0542 C7H7+ 1 91.0542 -0.18
+  95.0855 C7H11+ 1 95.0855 0.17
+  109.0648 C7H9O+ 1 109.0648 -0.01
+  121.0652 C8H9O+ 1 121.0648 3.29
+  123.0437 C7H7O2+ 1 123.0441 -2.92
+  131.0858 C10H11+ 1 131.0855 2.15
+  135.0437 C8H7O2+ 1 135.0441 -2.96
+  137.0596 C8H9O2+ 1 137.0597 -0.91
+  145.0646 C10H9O+ 1 145.0648 -1.37
+  147.044 C9H7O2+ 1 147.0441 -0.14
+  149.0599 C9H9O2+ 1 149.0597 1
+  151.0754 C9H11O2+ 1 151.0754 0.01
+  159.0441 C10H7O2+ 1 159.0441 -0.03
+  161.0594 C10H9O2+ 1 161.0597 -1.99
+  163.0751 C10H11O2+ 1 163.0754 -1.29
+  171.021 C8H8ClO2+ 1 171.0207 1.51
+  173.0596 C11H9O2+ 1 173.0597 -0.69
+  175.075 C11H11O2+ 1 175.0754 -1.85
+  177.0904 C11H13O2+ 1 177.091 -3.5
+  187.0753 C12H11O2+ 1 187.0754 -0.07
+  201.0909 C13H13O2+ 1 201.091 -0.63
+PK$NUM_PEAK: 25
+PK$PEAK: m/z int. rel.int.
+  73.0284 1326893 764
+  79.0543 67422.8 38
+  81.0698 172929.6 99
+  83.0129 86516.9 49
+  91.0542 164493.7 94
+  95.0855 84488.1 48
+  109.0648 75060 43
+  121.0652 84874.4 48
+  123.0437 266734 153
+  131.0858 61211.8 35
+  135.0437 207866 119
+  137.0596 1734617.6 999
+  145.0646 52621.3 30
+  147.044 73611.6 42
+  149.0599 109782.3 63
+  151.0754 139667.6 80
+  159.0441 71495.9 41
+  161.0594 405488.8 233
+  163.0751 282933.4 162
+  171.021 111644.9 64
+  173.0596 72917.8 41
+  175.075 225445.7 129
+  177.0904 213691.5 123
+  187.0753 124152.7 71
+  201.0909 45799 26
+//
diff --git a/Eawag/MSBNK-EAWAG-ED099309.txt b/Eawag/MSBNK-EAWAG-ED099309.txt
new file mode 100644
index 0000000000..374f61c39a
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED099309.txt
@@ -0,0 +1,103 @@
+ACCESSION: MSBNK-EAWAG-ED099309
+RECORD_TITLE: Bartoloside F; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.6b00351
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 993
+CH$NAME: Bartoloside F
+CH$NAME: (2S,3R,4S,5R)-2-(2-(6-chlorododecyl)-5-(6-chlorotetradecyl)-3-hydroxyphenoxy)tetrahydro-2H-pyran-3,4,5-triol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C37H64Cl2O6
+CH$EXACT_MASS: 674.4079951
+CH$SMILES: CCCCCCCCC(CCCCCC1=CC(=C(C(=C1)O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)CCCCCC(CCCCCC)Cl)O)Cl
+CH$IUPAC: InChI=1S/C37H64Cl2O6/c1-3-5-7-9-10-15-21-30(39)22-16-11-13-19-28-25-32(40)31(24-18-12-17-23-29(38)20-14-8-6-4-2)34(26-28)45-37-36(43)35(42)33(41)27-44-37/h25-26,29-30,33,35-37,40-43H,3-24,27H2,1-2H3/t29?,30?,33-,35+,36-,37+/m1/s1
+CH$LINK: PUBCHEM CID:132582909
+CH$LINK: INCHIKEY IWIZOMWAHIZTOM-ZQWJTRQNSA-N
+CH$LINK: CHEMSPIDER 58197376
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 70-710
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 17.076 min
+MS$FOCUSED_ION: BASE_PEAK 543.3727
+MS$FOCUSED_ION: PRECURSOR_M/Z 675.4153
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00dr-4900000000-eddc51a8097e20fb08b9
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  71.0129 C3H3O2+ 1 71.0128 1.46
+  73.0284 C3H5O2+ 1 73.0284 -0.11
+  79.0542 C6H7+ 1 79.0542 -0.62
+  81.07 C6H9+ 1 81.0699 1.12
+  83.013 C4H3O2+ 1 83.0128 2.53
+  85.0286 C4H5O2+ 1 85.0284 2.14
+  91.0541 C7H7+ 1 91.0542 -1.43
+  95.0492 C6H7O+ 1 95.0491 0.74
+  95.0857 C7H11+ 1 95.0855 1.62
+  105.0699 C8H9+ 1 105.0699 -0.01
+  107.0491 C7H7O+ 1 107.0491 0.08
+  109.0645 C7H9O+ 1 109.0648 -2.74
+  117.07 C9H9+ 1 117.0699 1.26
+  121.065 C8H9O+ 1 121.0648 1.4
+  123.0438 C7H7O2+ 1 123.0441 -2.11
+  131.0491 C9H7O+ 1 131.0491 -0.34
+  135.0441 C8H7O2+ 1 135.0441 -0.02
+  135.0802 C9H11O+ 1 135.0804 -1.67
+  137.0595 C8H9O2+ 1 137.0597 -1.24
+  145.0647 C10H9O+ 1 145.0648 -0.53
+  147.0443 C9H7O2+ 1 147.0441 1.41
+  149.0601 C9H9O2+ 1 149.0597 2.33
+  151.0754 C9H11O2+ 1 151.0754 0.21
+  159.0802 C11H11O+ 1 159.0804 -1.52
+  161.0594 C10H9O2+ 1 161.0597 -1.8
+  163.0754 C10H11O2+ 1 163.0754 0.39
+  171.0209 C8H8ClO2+ 1 171.0207 0.89
+  174.0671 C11H10O2+ 1 174.0675 -2.28
+  175.0753 C11H11O2+ 1 175.0754 -0.1
+  177.0908 C11H13O2+ 1 177.091 -0.91
+PK$NUM_PEAK: 30
+PK$PEAK: m/z int. rel.int.
+  71.0129 60877 56
+  73.0284 793024.2 730
+  79.0542 146542 135
+  81.07 190205 175
+  83.013 88965.8 81
+  85.0286 91318.5 84
+  91.0541 220297.1 202
+  95.0492 83494.1 76
+  95.0857 82177.2 75
+  105.0699 93636.2 86
+  107.0491 81241.5 74
+  109.0645 170456.6 157
+  117.07 82001 75
+  121.065 101751.7 93
+  123.0438 252404.1 232
+  131.0491 43898.7 40
+  135.0441 125701.3 115
+  135.0802 63626.9 58
+  137.0595 1084162.6 999
+  145.0647 62721.9 57
+  147.0443 59412.6 54
+  149.0601 92251.6 85
+  151.0754 66397.5 61
+  159.0802 59912.2 55
+  161.0594 307560 283
+  163.0754 135002.5 124
+  171.0209 87880.3 80
+  174.0671 160211.8 147
+  175.0753 92707.4 85
+  177.0908 105285.9 97
+//
diff --git a/Eawag/MSBNK-EAWAG-ED099351.txt b/Eawag/MSBNK-EAWAG-ED099351.txt
new file mode 100644
index 0000000000..6432187dcb
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED099351.txt
@@ -0,0 +1,51 @@
+ACCESSION: MSBNK-EAWAG-ED099351
+RECORD_TITLE: Bartoloside F; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.6b00351
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 993
+CH$NAME: Bartoloside F
+CH$NAME: (2S,3R,4S,5R)-2-(2-(6-chlorododecyl)-5-(6-chlorotetradecyl)-3-hydroxyphenoxy)tetrahydro-2H-pyran-3,4,5-triol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C37H64Cl2O6
+CH$EXACT_MASS: 674.4079951
+CH$SMILES: CCCCCCCCC(CCCCCC1=CC(=C(C(=C1)O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)CCCCCC(CCCCCC)Cl)O)Cl
+CH$IUPAC: InChI=1S/C37H64Cl2O6/c1-3-5-7-9-10-15-21-30(39)22-16-11-13-19-28-25-32(40)31(24-18-12-17-23-29(38)20-14-8-6-4-2)34(26-28)45-37-36(43)35(42)33(41)27-44-37/h25-26,29-30,33,35-37,40-43H,3-24,27H2,1-2H3/t29?,30?,33-,35+,36-,37+/m1/s1
+CH$LINK: PUBCHEM CID:132582909
+CH$LINK: INCHIKEY IWIZOMWAHIZTOM-ZQWJTRQNSA-N
+CH$LINK: CHEMSPIDER 58197376
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 70-708
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 17.063 min
+MS$FOCUSED_ION: BASE_PEAK 719.4069
+MS$FOCUSED_ION: PRECURSOR_M/Z 673.4007
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00di-0000039000-e610244706fcfa01623f
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  505.3817 C32H54ClO2- 2 505.3818 -0.15
+  541.3583 C32H55Cl2O2- 1 541.3585 -0.24
+  637.4237 C37H62ClO6- 1 637.424 -0.51
+  673.4007 C37H63Cl2O6- 1 673.4007 0.04
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  505.3817 136645.5 43
+  541.3583 1096817.1 351
+  637.4237 409528.9 131
+  673.4007 3119872 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED099352.txt b/Eawag/MSBNK-EAWAG-ED099352.txt
new file mode 100644
index 0000000000..2ec914045d
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED099352.txt
@@ -0,0 +1,53 @@
+ACCESSION: MSBNK-EAWAG-ED099352
+RECORD_TITLE: Bartoloside F; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.6b00351
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 993
+CH$NAME: Bartoloside F
+CH$NAME: (2S,3R,4S,5R)-2-(2-(6-chlorododecyl)-5-(6-chlorotetradecyl)-3-hydroxyphenoxy)tetrahydro-2H-pyran-3,4,5-triol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C37H64Cl2O6
+CH$EXACT_MASS: 674.4079951
+CH$SMILES: CCCCCCCCC(CCCCCC1=CC(=C(C(=C1)O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)CCCCCC(CCCCCC)Cl)O)Cl
+CH$IUPAC: InChI=1S/C37H64Cl2O6/c1-3-5-7-9-10-15-21-30(39)22-16-11-13-19-28-25-32(40)31(24-18-12-17-23-29(38)20-14-8-6-4-2)34(26-28)45-37-36(43)35(42)33(41)27-44-37/h25-26,29-30,33,35-37,40-43H,3-24,27H2,1-2H3/t29?,30?,33-,35+,36-,37+/m1/s1
+CH$LINK: PUBCHEM CID:132582909
+CH$LINK: INCHIKEY IWIZOMWAHIZTOM-ZQWJTRQNSA-N
+CH$LINK: CHEMSPIDER 58197376
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 70-708
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 17.063 min
+MS$FOCUSED_ION: BASE_PEAK 719.4069
+MS$FOCUSED_ION: PRECURSOR_M/Z 673.4007
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0006-0000091000-8bf3bdc57fd0b77078ca
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  469.4023 C26H58ClO4- 2 469.4029 -1.2
+  505.3813 C32H54ClO2- 2 505.3818 -0.99
+  541.3581 C32H55Cl2O2- 1 541.3585 -0.58
+  637.4239 C37H62ClO6- 1 637.424 -0.22
+  673.4014 C37H63Cl2O6- 1 673.4007 1.04
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  469.4023 41124.2 39
+  505.3813 370512.7 358
+  541.3581 1033136.1 999
+  637.4239 81579.1 78
+  673.4014 156863 151
+//
diff --git a/Eawag/MSBNK-EAWAG-ED099353.txt b/Eawag/MSBNK-EAWAG-ED099353.txt
new file mode 100644
index 0000000000..8cd8e46292
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED099353.txt
@@ -0,0 +1,51 @@
+ACCESSION: MSBNK-EAWAG-ED099353
+RECORD_TITLE: Bartoloside F; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.6b00351
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 993
+CH$NAME: Bartoloside F
+CH$NAME: (2S,3R,4S,5R)-2-(2-(6-chlorododecyl)-5-(6-chlorotetradecyl)-3-hydroxyphenoxy)tetrahydro-2H-pyran-3,4,5-triol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C37H64Cl2O6
+CH$EXACT_MASS: 674.4079951
+CH$SMILES: CCCCCCCCC(CCCCCC1=CC(=C(C(=C1)O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)CCCCCC(CCCCCC)Cl)O)Cl
+CH$IUPAC: InChI=1S/C37H64Cl2O6/c1-3-5-7-9-10-15-21-30(39)22-16-11-13-19-28-25-32(40)31(24-18-12-17-23-29(38)20-14-8-6-4-2)34(26-28)45-37-36(43)35(42)33(41)27-44-37/h25-26,29-30,33,35-37,40-43H,3-24,27H2,1-2H3/t29?,30?,33-,35+,36-,37+/m1/s1
+CH$LINK: PUBCHEM CID:132582909
+CH$LINK: INCHIKEY IWIZOMWAHIZTOM-ZQWJTRQNSA-N
+CH$LINK: CHEMSPIDER 58197376
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 70-708
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 17.063 min
+MS$FOCUSED_ION: BASE_PEAK 719.4069
+MS$FOCUSED_ION: PRECURSOR_M/Z 673.4007
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0a4l-0000290000-9bf33748ddc4339a58e1
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  457.4041 C31H53O2- 2 457.4051 -2.16
+  469.4046 C26H58ClO4- 2 469.4029 3.61
+  505.3815 C32H54ClO2- 2 505.3818 -0.51
+  541.3584 C32H55Cl2O2- 1 541.3585 -0.13
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  457.4041 25794.7 38
+  469.4046 273856 407
+  505.3815 670613.2 999
+  541.3584 648698.8 966
+//
diff --git a/Eawag/MSBNK-EAWAG-ED099354.txt b/Eawag/MSBNK-EAWAG-ED099354.txt
new file mode 100644
index 0000000000..8b3cc22acc
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED099354.txt
@@ -0,0 +1,51 @@
+ACCESSION: MSBNK-EAWAG-ED099354
+RECORD_TITLE: Bartoloside F; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.6b00351
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 993
+CH$NAME: Bartoloside F
+CH$NAME: (2S,3R,4S,5R)-2-(2-(6-chlorododecyl)-5-(6-chlorotetradecyl)-3-hydroxyphenoxy)tetrahydro-2H-pyran-3,4,5-triol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C37H64Cl2O6
+CH$EXACT_MASS: 674.4079951
+CH$SMILES: CCCCCCCCC(CCCCCC1=CC(=C(C(=C1)O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)CCCCCC(CCCCCC)Cl)O)Cl
+CH$IUPAC: InChI=1S/C37H64Cl2O6/c1-3-5-7-9-10-15-21-30(39)22-16-11-13-19-28-25-32(40)31(24-18-12-17-23-29(38)20-14-8-6-4-2)34(26-28)45-37-36(43)35(42)33(41)27-44-37/h25-26,29-30,33,35-37,40-43H,3-24,27H2,1-2H3/t29?,30?,33-,35+,36-,37+/m1/s1
+CH$LINK: PUBCHEM CID:132582909
+CH$LINK: INCHIKEY IWIZOMWAHIZTOM-ZQWJTRQNSA-N
+CH$LINK: CHEMSPIDER 58197376
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 70-708
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 17.063 min
+MS$FOCUSED_ION: BASE_PEAK 719.4069
+MS$FOCUSED_ION: PRECURSOR_M/Z 673.4007
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-066r-0000980000-670437d74fac7735b617
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  457.4052 C31H53O2- 1 457.4051 0.24
+  469.4046 C26H58ClO4- 2 469.4029 3.54
+  505.3812 C32H54ClO2- 2 505.3818 -1.18
+  541.3581 C32H55Cl2O2- 1 541.3585 -0.7
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  457.4052 46384.2 77
+  469.4046 596804.3 999
+  505.3812 449499.9 752
+  541.3581 146786.6 245
+//
diff --git a/Eawag/MSBNK-EAWAG-ED099355.txt b/Eawag/MSBNK-EAWAG-ED099355.txt
new file mode 100644
index 0000000000..ba01f78b16
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED099355.txt
@@ -0,0 +1,49 @@
+ACCESSION: MSBNK-EAWAG-ED099355
+RECORD_TITLE: Bartoloside F; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.6b00351
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 993
+CH$NAME: Bartoloside F
+CH$NAME: (2S,3R,4S,5R)-2-(2-(6-chlorododecyl)-5-(6-chlorotetradecyl)-3-hydroxyphenoxy)tetrahydro-2H-pyran-3,4,5-triol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C37H64Cl2O6
+CH$EXACT_MASS: 674.4079951
+CH$SMILES: CCCCCCCCC(CCCCCC1=CC(=C(C(=C1)O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)CCCCCC(CCCCCC)Cl)O)Cl
+CH$IUPAC: InChI=1S/C37H64Cl2O6/c1-3-5-7-9-10-15-21-30(39)22-16-11-13-19-28-25-32(40)31(24-18-12-17-23-29(38)20-14-8-6-4-2)34(26-28)45-37-36(43)35(42)33(41)27-44-37/h25-26,29-30,33,35-37,40-43H,3-24,27H2,1-2H3/t29?,30?,33-,35+,36-,37+/m1/s1
+CH$LINK: PUBCHEM CID:132582909
+CH$LINK: INCHIKEY IWIZOMWAHIZTOM-ZQWJTRQNSA-N
+CH$LINK: CHEMSPIDER 58197376
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 70-708
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 17.063 min
+MS$FOCUSED_ION: BASE_PEAK 719.4069
+MS$FOCUSED_ION: PRECURSOR_M/Z 673.4007
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-014i-0000900000-8c8fdccf3a79f25e0188
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  457.403 C31H53O2- 2 457.4051 -4.5
+  459.4124 C26H61Cl2O- 1 459.4105 4.25
+  469.4043 C26H58ClO4- 2 469.4029 2.89
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  457.403 91968.9 91
+  459.4124 13092.4 13
+  469.4043 1000192.8 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED099356.txt b/Eawag/MSBNK-EAWAG-ED099356.txt
new file mode 100644
index 0000000000..81d5174105
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED099356.txt
@@ -0,0 +1,47 @@
+ACCESSION: MSBNK-EAWAG-ED099356
+RECORD_TITLE: Bartoloside F; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.6b00351
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 993
+CH$NAME: Bartoloside F
+CH$NAME: (2S,3R,4S,5R)-2-(2-(6-chlorododecyl)-5-(6-chlorotetradecyl)-3-hydroxyphenoxy)tetrahydro-2H-pyran-3,4,5-triol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C37H64Cl2O6
+CH$EXACT_MASS: 674.4079951
+CH$SMILES: CCCCCCCCC(CCCCCC1=CC(=C(C(=C1)O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)CCCCCC(CCCCCC)Cl)O)Cl
+CH$IUPAC: InChI=1S/C37H64Cl2O6/c1-3-5-7-9-10-15-21-30(39)22-16-11-13-19-28-25-32(40)31(24-18-12-17-23-29(38)20-14-8-6-4-2)34(26-28)45-37-36(43)35(42)33(41)27-44-37/h25-26,29-30,33,35-37,40-43H,3-24,27H2,1-2H3/t29?,30?,33-,35+,36-,37+/m1/s1
+CH$LINK: PUBCHEM CID:132582909
+CH$LINK: INCHIKEY IWIZOMWAHIZTOM-ZQWJTRQNSA-N
+CH$LINK: CHEMSPIDER 58197376
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 70-708
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 17.063 min
+MS$FOCUSED_ION: BASE_PEAK 719.4069
+MS$FOCUSED_ION: PRECURSOR_M/Z 673.4007
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-014i-0000900000-f20cd9e88e7dd2546054
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  457.4043 C31H53O2- 2 457.4051 -1.83
+  469.4045 C26H58ClO4- 2 469.4029 3.28
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  457.4043 72441.8 81
+  469.4045 888520.9 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED099357.txt b/Eawag/MSBNK-EAWAG-ED099357.txt
new file mode 100644
index 0000000000..b4e1b26d32
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED099357.txt
@@ -0,0 +1,49 @@
+ACCESSION: MSBNK-EAWAG-ED099357
+RECORD_TITLE: Bartoloside F; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.6b00351
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 993
+CH$NAME: Bartoloside F
+CH$NAME: (2S,3R,4S,5R)-2-(2-(6-chlorododecyl)-5-(6-chlorotetradecyl)-3-hydroxyphenoxy)tetrahydro-2H-pyran-3,4,5-triol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C37H64Cl2O6
+CH$EXACT_MASS: 674.4079951
+CH$SMILES: CCCCCCCCC(CCCCCC1=CC(=C(C(=C1)O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)CCCCCC(CCCCCC)Cl)O)Cl
+CH$IUPAC: InChI=1S/C37H64Cl2O6/c1-3-5-7-9-10-15-21-30(39)22-16-11-13-19-28-25-32(40)31(24-18-12-17-23-29(38)20-14-8-6-4-2)34(26-28)45-37-36(43)35(42)33(41)27-44-37/h25-26,29-30,33,35-37,40-43H,3-24,27H2,1-2H3/t29?,30?,33-,35+,36-,37+/m1/s1
+CH$LINK: PUBCHEM CID:132582909
+CH$LINK: INCHIKEY IWIZOMWAHIZTOM-ZQWJTRQNSA-N
+CH$LINK: CHEMSPIDER 58197376
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 70-708
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 17.063 min
+MS$FOCUSED_ION: BASE_PEAK 719.4069
+MS$FOCUSED_ION: PRECURSOR_M/Z 673.4007
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-014i-0000900000-74a275e2de21329a9dbb
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  303.2328 C20H31O2- 1 303.233 -0.64
+  457.4046 C31H53O2- 2 457.4051 -1.03
+  469.4048 C26H58ClO4- 2 469.4029 4.13
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  303.2328 28615.4 57
+  457.4046 40959.1 81
+  469.4048 499281.1 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED101901.txt b/Eawag/MSBNK-EAWAG-ED101901.txt
new file mode 100644
index 0000000000..1bd47f94d1
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED101901.txt
@@ -0,0 +1,48 @@
+ACCESSION: MSBNK-EAWAG-ED101901
+RECORD_TITLE: Microginin 761B; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.05.01
+AUTHORS: E. Janssen [dtc], X. Wang [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 1019
+CH$NAME: Microginin 761B
+CH$NAME: 2-[[2-[[1-[2-[(3-amino-10-chloro-2-hydroxydecanoyl)amino]-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C37H52ClN5O10
+CH$EXACT_MASS: 761.3402705
+CH$SMILES: NC(C(C(NC(C(N1C(CCC1)C(NC(CC2=CC=C(O)C=C2)C(NC(C(O)=O)CC3=CC=C(O)C=C3)=O)=O)=O)C(C)O)=O)O)CCCCCCCCl
+CH$IUPAC: InChI=1S/C37H52ClN5O10/c1-22(44)31(42-35(50)32(47)27(39)8-5-3-2-4-6-18-38)36(51)43-19-7-9-30(43)34(49)40-28(20-23-10-14-25(45)15-11-23)33(48)41-29(37(52)53)21-24-12-16-26(46)17-13-24/h10-17,22,27-32,44-47H,2-9,18-21,39H2,1H3,(H,40,49)(H,41,48)(H,42,50)(H,52,53)
+CH$LINK: CHEBI 222222
+CH$LINK: PUBCHEM CID:146684933
+CH$LINK: INCHIKEY NWKXLGDOMIUDOE-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 79-799
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.684 min
+MS$FOCUSED_ION: BASE_PEAK 204.1585
+MS$FOCUSED_ION: PRECURSOR_M/Z 762.3475
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03di-0000000900-4bb1573b45a34264d15e
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  442.1964 C19H35ClO9+ 5 442.1964 -0.14
+  583.239 C29H35N4O9+ 4 583.2399 -1.47
+  762.3464 C37H53ClN5O10+ 1 762.3475 -1.46
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  442.1964 129981.9 38
+  583.239 118326.6 35
+  762.3464 3353608 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED101902.txt b/Eawag/MSBNK-EAWAG-ED101902.txt
new file mode 100644
index 0000000000..3222e03e1d
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED101902.txt
@@ -0,0 +1,52 @@
+ACCESSION: MSBNK-EAWAG-ED101902
+RECORD_TITLE: Microginin 761B; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.05.01
+AUTHORS: E. Janssen [dtc], X. Wang [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 1019
+CH$NAME: Microginin 761B
+CH$NAME: 2-[[2-[[1-[2-[(3-amino-10-chloro-2-hydroxydecanoyl)amino]-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C37H52ClN5O10
+CH$EXACT_MASS: 761.3402705
+CH$SMILES: NC(C(C(NC(C(N1C(CCC1)C(NC(CC2=CC=C(O)C=C2)C(NC(C(O)=O)CC3=CC=C(O)C=C3)=O)=O)=O)C(C)O)=O)O)CCCCCCCCl
+CH$IUPAC: InChI=1S/C37H52ClN5O10/c1-22(44)31(42-35(50)32(47)27(39)8-5-3-2-4-6-18-38)36(51)43-19-7-9-30(43)34(49)40-28(20-23-10-14-25(45)15-11-23)33(48)41-29(37(52)53)21-24-12-16-26(46)17-13-24/h10-17,22,27-32,44-47H,2-9,18-21,39H2,1H3,(H,40,49)(H,41,48)(H,42,50)(H,52,53)
+CH$LINK: CHEBI 222222
+CH$LINK: PUBCHEM CID:146684933
+CH$LINK: INCHIKEY NWKXLGDOMIUDOE-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 79-799
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.684 min
+MS$FOCUSED_ION: BASE_PEAK 204.1585
+MS$FOCUSED_ION: PRECURSOR_M/Z 762.3475
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03di-0000430900-073f7a26174d77b35aa9
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  162.104 C11H14O+ 2 162.1039 0.37
+  442.1965 C19H35ClO9+ 6 442.1964 0.28
+  581.2727 C31H39N3O8+ 5 581.2732 -0.72
+  583.2389 C29H35N4O9+ 4 583.2399 -1.68
+  762.3469 C37H53ClN5O10+ 1 762.3475 -0.82
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  162.104 20423 12
+  442.1965 771400.4 481
+  581.2727 92103.8 57
+  583.2389 444859.6 277
+  762.3469 1599068.9 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED101903.txt b/Eawag/MSBNK-EAWAG-ED101903.txt
new file mode 100644
index 0000000000..d6ff3a648b
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED101903.txt
@@ -0,0 +1,66 @@
+ACCESSION: MSBNK-EAWAG-ED101903
+RECORD_TITLE: Microginin 761B; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.05.01
+AUTHORS: E. Janssen [dtc], X. Wang [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 1019
+CH$NAME: Microginin 761B
+CH$NAME: 2-[[2-[[1-[2-[(3-amino-10-chloro-2-hydroxydecanoyl)amino]-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C37H52ClN5O10
+CH$EXACT_MASS: 761.3402705
+CH$SMILES: NC(C(C(NC(C(N1C(CCC1)C(NC(CC2=CC=C(O)C=C2)C(NC(C(O)=O)CC3=CC=C(O)C=C3)=O)=O)=O)C(C)O)=O)O)CCCCCCCCl
+CH$IUPAC: InChI=1S/C37H52ClN5O10/c1-22(44)31(42-35(50)32(47)27(39)8-5-3-2-4-6-18-38)36(51)43-19-7-9-30(43)34(49)40-28(20-23-10-14-25(45)15-11-23)33(48)41-29(37(52)53)21-24-12-16-26(46)17-13-24/h10-17,22,27-32,44-47H,2-9,18-21,39H2,1H3,(H,40,49)(H,41,48)(H,42,50)(H,52,53)
+CH$LINK: CHEBI 222222
+CH$LINK: PUBCHEM CID:146684933
+CH$LINK: INCHIKEY NWKXLGDOMIUDOE-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 79-799
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.684 min
+MS$FOCUSED_ION: BASE_PEAK 204.1585
+MS$FOCUSED_ION: PRECURSOR_M/Z 762.3475
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-01po-0160930200-a1b1ed5152943f13c6e3
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  116.0706 C5H10NO2+ 2 116.0706 0.13
+  162.1037 C11H14O+ 2 162.1039 -1.32
+  211.1074 C8H13N5O2+ 3 211.1064 4.66
+  233.1277 C11H15N5O+ 2 233.1271 2.42
+  239.1016 C9H13N5O3+ 3 239.1013 1.27
+  257.1128 C11H17N2O5+ 3 257.1132 -1.41
+  261.1224 C12H15N5O2+ 3 261.122 1.57
+  374.181 C17H28NO8+ 6 374.1809 0.16
+  420.1753 C16H33ClO10+ 6 420.1757 -0.83
+  442.1965 C19H35ClO9+ 6 442.1964 0.21
+  583.239 C29H35N4O9+ 4 583.2399 -1.47
+  762.3472 C37H53ClN5O10+ 1 762.3475 -0.42
+PK$NUM_PEAK: 12
+PK$PEAK: m/z int. rel.int.
+  116.0706 15737.4 15
+  162.1037 101066.6 100
+  211.1074 19158.9 18
+  233.1277 176217.4 174
+  239.1016 121170.9 120
+  257.1128 66027.7 65
+  261.1224 385624.8 382
+  374.181 30782.8 30
+  420.1753 35753.2 35
+  442.1965 1007761.2 999
+  583.239 389771.9 386
+  762.3472 281817.7 279
+//
diff --git a/Eawag/MSBNK-EAWAG-ED101904.txt b/Eawag/MSBNK-EAWAG-ED101904.txt
new file mode 100644
index 0000000000..032b3cc5e6
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED101904.txt
@@ -0,0 +1,70 @@
+ACCESSION: MSBNK-EAWAG-ED101904
+RECORD_TITLE: Microginin 761B; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.05.01
+AUTHORS: E. Janssen [dtc], X. Wang [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 1019
+CH$NAME: Microginin 761B
+CH$NAME: 2-[[2-[[1-[2-[(3-amino-10-chloro-2-hydroxydecanoyl)amino]-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C37H52ClN5O10
+CH$EXACT_MASS: 761.3402705
+CH$SMILES: NC(C(C(NC(C(N1C(CCC1)C(NC(CC2=CC=C(O)C=C2)C(NC(C(O)=O)CC3=CC=C(O)C=C3)=O)=O)=O)C(C)O)=O)O)CCCCCCCCl
+CH$IUPAC: InChI=1S/C37H52ClN5O10/c1-22(44)31(42-35(50)32(47)27(39)8-5-3-2-4-6-18-38)36(51)43-19-7-9-30(43)34(49)40-28(20-23-10-14-25(45)15-11-23)33(48)41-29(37(52)53)21-24-12-16-26(46)17-13-24/h10-17,22,27-32,44-47H,2-9,18-21,39H2,1H3,(H,40,49)(H,41,48)(H,42,50)(H,52,53)
+CH$LINK: CHEBI 222222
+CH$LINK: PUBCHEM CID:146684933
+CH$LINK: INCHIKEY NWKXLGDOMIUDOE-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 79-799
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.684 min
+MS$FOCUSED_ION: BASE_PEAK 204.1585
+MS$FOCUSED_ION: PRECURSOR_M/Z 762.3475
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03ec-0191310000-3a205b8b0f6e840603e7
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  136.0758 C8H10NO+ 2 136.0757 0.97
+  162.104 C11H14O+ 2 162.1039 0.56
+  211.1068 C8H13N5O2+ 2 211.1064 1.85
+  233.1274 C11H15N5O+ 3 233.1271 1.31
+  239.1014 C9H13N5O3+ 2 239.1013 0.5
+  257.1123 C11H17N2O5+ 3 257.1132 -3.54
+  261.1224 C12H15N5O2+ 3 261.122 1.57
+  279.1336 C12H17N5O3+ 3 279.1326 3.59
+  285.1361 C17H19NO3+ 3 285.1359 0.55
+  345.1437 C16H19N5O4+ 4 345.1432 1.69
+  402.1666 C17H27ClN4O5+ 5 402.1664 0.32
+  442.1963 C19H35ClO9+ 5 442.1964 -0.28
+  553.2789 C27H42ClN4O6+ 7 553.2787 0.33
+  583.238 C29H35N4O9+ 3 583.2399 -3.15
+PK$NUM_PEAK: 14
+PK$PEAK: m/z int. rel.int.
+  136.0758 48457.9 108
+  162.104 206554.6 461
+  211.1068 61211.4 136
+  233.1274 447147.8 999
+  239.1014 218578.3 488
+  257.1123 67465.7 150
+  261.1224 399952.9 893
+  279.1336 25721.3 57
+  285.1361 20342.5 45
+  345.1437 208279.5 465
+  402.1666 60070.1 134
+  442.1963 419000.4 936
+  553.2789 46564.9 104
+  583.238 119804.4 267
+//
diff --git a/Eawag/MSBNK-EAWAG-ED101905.txt b/Eawag/MSBNK-EAWAG-ED101905.txt
new file mode 100644
index 0000000000..19e7fdc25b
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED101905.txt
@@ -0,0 +1,64 @@
+ACCESSION: MSBNK-EAWAG-ED101905
+RECORD_TITLE: Microginin 761B; LC-ESI-QFT; MS2; CE: 35%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.05.01
+AUTHORS: E. Janssen [dtc], X. Wang [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 1019
+CH$NAME: Microginin 761B
+CH$NAME: 2-[[2-[[1-[2-[(3-amino-10-chloro-2-hydroxydecanoyl)amino]-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C37H52ClN5O10
+CH$EXACT_MASS: 761.3402705
+CH$SMILES: NC(C(C(NC(C(N1C(CCC1)C(NC(CC2=CC=C(O)C=C2)C(NC(C(O)=O)CC3=CC=C(O)C=C3)=O)=O)=O)C(C)O)=O)O)CCCCCCCCl
+CH$IUPAC: InChI=1S/C37H52ClN5O10/c1-22(44)31(42-35(50)32(47)27(39)8-5-3-2-4-6-18-38)36(51)43-19-7-9-30(43)34(49)40-28(20-23-10-14-25(45)15-11-23)33(48)41-29(37(52)53)21-24-12-16-26(46)17-13-24/h10-17,22,27-32,44-47H,2-9,18-21,39H2,1H3,(H,40,49)(H,41,48)(H,42,50)(H,52,53)
+CH$LINK: CHEBI 222222
+CH$LINK: PUBCHEM CID:146684933
+CH$LINK: INCHIKEY NWKXLGDOMIUDOE-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 35 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 79-799
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.684 min
+MS$FOCUSED_ION: BASE_PEAK 204.1585
+MS$FOCUSED_ION: PRECURSOR_M/Z 762.3475
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03e9-0390000000-80f423229544c509d02d
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  136.0756 C8H10NO+ 2 136.0757 -0.49
+  162.1041 C11H14O+ 2 162.1039 1.32
+  202.0991 C13H14O2+ 2 202.0988 1.49
+  211.1069 C8H13N5O2+ 2 211.1064 2.57
+  213.0864 C9H13N2O4+ 2 213.087 -2.87
+  233.1274 C11H15N5O+ 3 233.1271 1.31
+  239.1018 C9H13N5O3+ 2 239.1013 2.1
+  257.1131 C11H17N2O5+ 2 257.1132 -0.22
+  261.1224 C12H15N5O2+ 3 261.122 1.34
+  279.1326 C12H17N5O3+ 4 279.1326 0.2
+  285.1362 C17H19NO3+ 3 285.1359 0.87
+PK$NUM_PEAK: 11
+PK$PEAK: m/z int. rel.int.
+  136.0756 165588.5 241
+  162.1041 324489.1 473
+  202.0991 26822.9 39
+  211.1069 131258.8 191
+  213.0864 12468.5 18
+  233.1274 685197.4 999
+  239.1018 188397.1 274
+  257.1131 37440.1 54
+  261.1224 255758.5 372
+  279.1326 14237.1 20
+  285.1362 17214.6 25
+//
diff --git a/Eawag/MSBNK-EAWAG-ED101906.txt b/Eawag/MSBNK-EAWAG-ED101906.txt
new file mode 100644
index 0000000000..582fd0f9db
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED101906.txt
@@ -0,0 +1,60 @@
+ACCESSION: MSBNK-EAWAG-ED101906
+RECORD_TITLE: Microginin 761B; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.05.01
+AUTHORS: E. Janssen [dtc], X. Wang [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 1019
+CH$NAME: Microginin 761B
+CH$NAME: 2-[[2-[[1-[2-[(3-amino-10-chloro-2-hydroxydecanoyl)amino]-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C37H52ClN5O10
+CH$EXACT_MASS: 761.3402705
+CH$SMILES: NC(C(C(NC(C(N1C(CCC1)C(NC(CC2=CC=C(O)C=C2)C(NC(C(O)=O)CC3=CC=C(O)C=C3)=O)=O)=O)C(C)O)=O)O)CCCCCCCCl
+CH$IUPAC: InChI=1S/C37H52ClN5O10/c1-22(44)31(42-35(50)32(47)27(39)8-5-3-2-4-6-18-38)36(51)43-19-7-9-30(43)34(49)40-28(20-23-10-14-25(45)15-11-23)33(48)41-29(37(52)53)21-24-12-16-26(46)17-13-24/h10-17,22,27-32,44-47H,2-9,18-21,39H2,1H3,(H,40,49)(H,41,48)(H,42,50)(H,52,53)
+CH$LINK: CHEBI 222222
+CH$LINK: PUBCHEM CID:146684933
+CH$LINK: INCHIKEY NWKXLGDOMIUDOE-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 79-799
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.684 min
+MS$FOCUSED_ION: BASE_PEAK 204.1585
+MS$FOCUSED_ION: PRECURSOR_M/Z 762.3475
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03ei-0890000000-ff8e8c9698889c4b8c4a
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  116.0704 C5H10NO2+ 1 116.0706 -1.58
+  136.0756 C8H10NO+ 2 136.0757 -0.71
+  162.1041 C11H14O+ 2 162.1039 1.22
+  182.0808 C9H12NO3+ 3 182.0812 -2.05
+  211.1069 C8H13N5O2+ 2 211.1064 2.35
+  233.1274 C11H15N5O+ 3 233.1271 1.25
+  239.1016 C9H13N5O3+ 3 239.1013 1.33
+  280.1449 C14H21ClN4+ 4 280.1449 -0.26
+  285.1351 C12H20ClN5O+ 5 285.1351 0.12
+PK$NUM_PEAK: 9
+PK$PEAK: m/z int. rel.int.
+  116.0704 44712.4 84
+  136.0756 315533.2 596
+  162.1041 387581.3 732
+  182.0808 29423.3 55
+  211.1069 153391.1 290
+  233.1274 528296.3 999
+  239.1016 129593.1 245
+  280.1449 20060 37
+  285.1351 19932.5 37
+//
diff --git a/Eawag/MSBNK-EAWAG-ED101907.txt b/Eawag/MSBNK-EAWAG-ED101907.txt
new file mode 100644
index 0000000000..77c2161866
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED101907.txt
@@ -0,0 +1,64 @@
+ACCESSION: MSBNK-EAWAG-ED101907
+RECORD_TITLE: Microginin 761B; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.05.01
+AUTHORS: E. Janssen [dtc], X. Wang [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 1019
+CH$NAME: Microginin 761B
+CH$NAME: 2-[[2-[[1-[2-[(3-amino-10-chloro-2-hydroxydecanoyl)amino]-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C37H52ClN5O10
+CH$EXACT_MASS: 761.3402705
+CH$SMILES: NC(C(C(NC(C(N1C(CCC1)C(NC(CC2=CC=C(O)C=C2)C(NC(C(O)=O)CC3=CC=C(O)C=C3)=O)=O)=O)C(C)O)=O)O)CCCCCCCCl
+CH$IUPAC: InChI=1S/C37H52ClN5O10/c1-22(44)31(42-35(50)32(47)27(39)8-5-3-2-4-6-18-38)36(51)43-19-7-9-30(43)34(49)40-28(20-23-10-14-25(45)15-11-23)33(48)41-29(37(52)53)21-24-12-16-26(46)17-13-24/h10-17,22,27-32,44-47H,2-9,18-21,39H2,1H3,(H,40,49)(H,41,48)(H,42,50)(H,52,53)
+CH$LINK: CHEBI 222222
+CH$LINK: PUBCHEM CID:146684933
+CH$LINK: INCHIKEY NWKXLGDOMIUDOE-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 79-799
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.684 min
+MS$FOCUSED_ION: BASE_PEAK 204.1585
+MS$FOCUSED_ION: PRECURSOR_M/Z 762.3475
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03dr-0930000000-994cc3fe392d8d551f95
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  116.0707 C5H10NO2+ 2 116.0706 0.86
+  126.1279 C8H16N+ 1 126.1277 1.65
+  136.0756 C8H10NO+ 2 136.0757 -0.38
+  153.1022 C8H13N2O+ 2 153.1022 0.03
+  162.104 C11H14O+ 2 162.1039 0.75
+  165.0541 C4H10ClN4O+ 3 165.0538 2.02
+  182.0808 C9H12NO3+ 3 182.0812 -2.3
+  202.0989 C13H14O2+ 3 202.0988 0.21
+  211.1067 C8H13N5O2+ 2 211.1064 1.56
+  233.1271 C11H15N5O+ 2 233.1271 0
+  239.101 C9H13N5O3+ 3 239.1013 -1.09
+PK$NUM_PEAK: 11
+PK$PEAK: m/z int. rel.int.
+  116.0707 30052.9 71
+  126.1279 17922.7 42
+  136.0756 419298 999
+  153.1022 14976.4 35
+  162.104 354132.1 843
+  165.0541 9766.1 23
+  182.0808 23246.6 55
+  202.0989 29258.7 69
+  211.1067 118534.4 282
+  233.1271 153807.5 366
+  239.101 16527.4 39
+//
diff --git a/Eawag/MSBNK-EAWAG-ED101908.txt b/Eawag/MSBNK-EAWAG-ED101908.txt
new file mode 100644
index 0000000000..ccf9653c4d
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED101908.txt
@@ -0,0 +1,62 @@
+ACCESSION: MSBNK-EAWAG-ED101908
+RECORD_TITLE: Microginin 761B; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.05.01
+AUTHORS: E. Janssen [dtc], X. Wang [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 1019
+CH$NAME: Microginin 761B
+CH$NAME: 2-[[2-[[1-[2-[(3-amino-10-chloro-2-hydroxydecanoyl)amino]-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C37H52ClN5O10
+CH$EXACT_MASS: 761.3402705
+CH$SMILES: NC(C(C(NC(C(N1C(CCC1)C(NC(CC2=CC=C(O)C=C2)C(NC(C(O)=O)CC3=CC=C(O)C=C3)=O)=O)=O)C(C)O)=O)O)CCCCCCCCl
+CH$IUPAC: InChI=1S/C37H52ClN5O10/c1-22(44)31(42-35(50)32(47)27(39)8-5-3-2-4-6-18-38)36(51)43-19-7-9-30(43)34(49)40-28(20-23-10-14-25(45)15-11-23)33(48)41-29(37(52)53)21-24-12-16-26(46)17-13-24/h10-17,22,27-32,44-47H,2-9,18-21,39H2,1H3,(H,40,49)(H,41,48)(H,42,50)(H,52,53)
+CH$LINK: CHEBI 222222
+CH$LINK: PUBCHEM CID:146684933
+CH$LINK: INCHIKEY NWKXLGDOMIUDOE-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 79-799
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.684 min
+MS$FOCUSED_ION: BASE_PEAK 204.1585
+MS$FOCUSED_ION: PRECURSOR_M/Z 762.3475
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-01p9-0900000000-c24d4e6543f8b0adc50b
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  84.0445 C4H6NO+ 2 84.0444 0.95
+  91.0541 C7H7+ 1 91.0542 -1.14
+  109.1011 C8H13+ 1 109.1012 -0.94
+  116.0708 C5H10NO2+ 2 116.0706 1.97
+  119.0491 C8H7O+ 2 119.0491 -0.22
+  136.0756 C8H10NO+ 2 136.0757 -0.71
+  142.0497 C6H8NO3+ 3 142.0499 -1.1
+  162.104 C11H14O+ 2 162.1039 0.75
+  165.0538 C4H10ClN4O+ 3 165.0538 0.36
+  233.1279 C11H15N5O+ 3 233.1271 3.34
+PK$NUM_PEAK: 10
+PK$PEAK: m/z int. rel.int.
+  84.0445 16752.2 45
+  91.0541 31740.7 85
+  109.1011 19669.9 53
+  116.0708 27020.9 73
+  119.0491 22496.5 60
+  136.0756 369136.9 999
+  142.0497 12641 34
+  162.104 269426.1 729
+  165.0538 11278.7 30
+  233.1279 16714.5 45
+//
diff --git a/Eawag/MSBNK-EAWAG-ED101909.txt b/Eawag/MSBNK-EAWAG-ED101909.txt
new file mode 100644
index 0000000000..f21d0db6ca
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED101909.txt
@@ -0,0 +1,60 @@
+ACCESSION: MSBNK-EAWAG-ED101909
+RECORD_TITLE: Microginin 761B; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.05.01
+AUTHORS: E. Janssen [dtc], X. Wang [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 1019
+CH$NAME: Microginin 761B
+CH$NAME: 2-[[2-[[1-[2-[(3-amino-10-chloro-2-hydroxydecanoyl)amino]-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C37H52ClN5O10
+CH$EXACT_MASS: 761.3402705
+CH$SMILES: NC(C(C(NC(C(N1C(CCC1)C(NC(CC2=CC=C(O)C=C2)C(NC(C(O)=O)CC3=CC=C(O)C=C3)=O)=O)=O)C(C)O)=O)O)CCCCCCCCl
+CH$IUPAC: InChI=1S/C37H52ClN5O10/c1-22(44)31(42-35(50)32(47)27(39)8-5-3-2-4-6-18-38)36(51)43-19-7-9-30(43)34(49)40-28(20-23-10-14-25(45)15-11-23)33(48)41-29(37(52)53)21-24-12-16-26(46)17-13-24/h10-17,22,27-32,44-47H,2-9,18-21,39H2,1H3,(H,40,49)(H,41,48)(H,42,50)(H,52,53)
+CH$LINK: CHEBI 222222
+CH$LINK: PUBCHEM CID:146684933
+CH$LINK: INCHIKEY NWKXLGDOMIUDOE-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 79-799
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.684 min
+MS$FOCUSED_ION: BASE_PEAK 204.1585
+MS$FOCUSED_ION: PRECURSOR_M/Z 762.3475
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-01p9-1900000000-a178593f115e0cd1bd33
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  84.0445 C4H6NO+ 2 84.0444 1.04
+  91.0541 C7H7+ 1 91.0542 -0.97
+  109.1013 C8H13+ 1 109.1012 1.09
+  116.0708 C5H10NO2+ 2 116.0706 1.78
+  119.0489 C8H7O+ 1 119.0491 -1.88
+  126.1277 C8H16N+ 1 126.1277 -0.47
+  136.0756 C8H10NO+ 2 136.0757 -0.71
+  162.104 C11H14O+ 2 162.1039 0.75
+  202.0986 C13H14O2+ 3 202.0988 -1.15
+PK$NUM_PEAK: 9
+PK$PEAK: m/z int. rel.int.
+  84.0445 20822.9 89
+  91.0541 53123.7 228
+  109.1013 18424.8 79
+  116.0708 8875 38
+  119.0489 53067.2 228
+  126.1277 16393 70
+  136.0756 232388.8 999
+  162.104 147099.6 632
+  202.0986 12366 53
+//
diff --git a/Eawag/MSBNK-EAWAG-ED101951.txt b/Eawag/MSBNK-EAWAG-ED101951.txt
new file mode 100644
index 0000000000..5335b6e250
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED101951.txt
@@ -0,0 +1,46 @@
+ACCESSION: MSBNK-EAWAG-ED101951
+RECORD_TITLE: Microginin 761B; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.05.01
+AUTHORS: E. Janssen [dtc], X. Wang [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 1019
+CH$NAME: Microginin 761B
+CH$NAME: 2-[[2-[[1-[2-[(3-amino-10-chloro-2-hydroxydecanoyl)amino]-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C37H52ClN5O10
+CH$EXACT_MASS: 761.3402705
+CH$SMILES: NC(C(C(NC(C(N1C(CCC1)C(NC(CC2=CC=C(O)C=C2)C(NC(C(O)=O)CC3=CC=C(O)C=C3)=O)=O)=O)C(C)O)=O)O)CCCCCCCCl
+CH$IUPAC: InChI=1S/C37H52ClN5O10/c1-22(44)31(42-35(50)32(47)27(39)8-5-3-2-4-6-18-38)36(51)43-19-7-9-30(43)34(49)40-28(20-23-10-14-25(45)15-11-23)33(48)41-29(37(52)53)21-24-12-16-26(46)17-13-24/h10-17,22,27-32,44-47H,2-9,18-21,39H2,1H3,(H,40,49)(H,41,48)(H,42,50)(H,52,53)
+CH$LINK: CHEBI 222222
+CH$LINK: PUBCHEM CID:146684933
+CH$LINK: INCHIKEY NWKXLGDOMIUDOE-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 79-797
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.671 min
+MS$FOCUSED_ION: BASE_PEAK 202.144
+MS$FOCUSED_ION: PRECURSOR_M/Z 760.333
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-014i-0000000900-be10257de54ab79fe2c0
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  680.3271 C35H46N5O9- 1 680.3301 -4.38
+  716.3066 C35H47ClN5O9- 2 716.3068 -0.2
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  680.3271 15900.7 25
+  716.3066 627470 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED101952.txt b/Eawag/MSBNK-EAWAG-ED101952.txt
new file mode 100644
index 0000000000..3dd379ffad
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED101952.txt
@@ -0,0 +1,46 @@
+ACCESSION: MSBNK-EAWAG-ED101952
+RECORD_TITLE: Microginin 761B; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.05.01
+AUTHORS: E. Janssen [dtc], X. Wang [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 1019
+CH$NAME: Microginin 761B
+CH$NAME: 2-[[2-[[1-[2-[(3-amino-10-chloro-2-hydroxydecanoyl)amino]-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C37H52ClN5O10
+CH$EXACT_MASS: 761.3402705
+CH$SMILES: NC(C(C(NC(C(N1C(CCC1)C(NC(CC2=CC=C(O)C=C2)C(NC(C(O)=O)CC3=CC=C(O)C=C3)=O)=O)=O)C(C)O)=O)O)CCCCCCCCl
+CH$IUPAC: InChI=1S/C37H52ClN5O10/c1-22(44)31(42-35(50)32(47)27(39)8-5-3-2-4-6-18-38)36(51)43-19-7-9-30(43)34(49)40-28(20-23-10-14-25(45)15-11-23)33(48)41-29(37(52)53)21-24-12-16-26(46)17-13-24/h10-17,22,27-32,44-47H,2-9,18-21,39H2,1H3,(H,40,49)(H,41,48)(H,42,50)(H,52,53)
+CH$LINK: CHEBI 222222
+CH$LINK: PUBCHEM CID:146684933
+CH$LINK: INCHIKEY NWKXLGDOMIUDOE-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 79-797
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.671 min
+MS$FOCUSED_ION: BASE_PEAK 202.144
+MS$FOCUSED_ION: PRECURSOR_M/Z 760.333
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-014i-0000000900-0f6714e730b4d829314b
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  680.3293 C35H46N5O9- 3 680.3301 -1.24
+  716.3065 C35H47ClN5O9- 2 716.3068 -0.37
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  680.3293 49556 56
+  716.3065 883413.3 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED101953.txt b/Eawag/MSBNK-EAWAG-ED101953.txt
new file mode 100644
index 0000000000..946e597f05
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED101953.txt
@@ -0,0 +1,46 @@
+ACCESSION: MSBNK-EAWAG-ED101953
+RECORD_TITLE: Microginin 761B; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.05.01
+AUTHORS: E. Janssen [dtc], X. Wang [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 1019
+CH$NAME: Microginin 761B
+CH$NAME: 2-[[2-[[1-[2-[(3-amino-10-chloro-2-hydroxydecanoyl)amino]-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C37H52ClN5O10
+CH$EXACT_MASS: 761.3402705
+CH$SMILES: NC(C(C(NC(C(N1C(CCC1)C(NC(CC2=CC=C(O)C=C2)C(NC(C(O)=O)CC3=CC=C(O)C=C3)=O)=O)=O)C(C)O)=O)O)CCCCCCCCl
+CH$IUPAC: InChI=1S/C37H52ClN5O10/c1-22(44)31(42-35(50)32(47)27(39)8-5-3-2-4-6-18-38)36(51)43-19-7-9-30(43)34(49)40-28(20-23-10-14-25(45)15-11-23)33(48)41-29(37(52)53)21-24-12-16-26(46)17-13-24/h10-17,22,27-32,44-47H,2-9,18-21,39H2,1H3,(H,40,49)(H,41,48)(H,42,50)(H,52,53)
+CH$LINK: CHEBI 222222
+CH$LINK: PUBCHEM CID:146684933
+CH$LINK: INCHIKEY NWKXLGDOMIUDOE-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 79-797
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.671 min
+MS$FOCUSED_ION: BASE_PEAK 202.144
+MS$FOCUSED_ION: PRECURSOR_M/Z 760.333
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-014i-0000001900-d001868b6318f39cb2ee
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  680.3312 C35H46N5O9- 3 680.3301 1.63
+  716.3065 C35H47ClN5O9- 2 716.3068 -0.37
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  680.3312 120749.3 172
+  716.3065 698200.1 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED101954.txt b/Eawag/MSBNK-EAWAG-ED101954.txt
new file mode 100644
index 0000000000..b7ace14145
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED101954.txt
@@ -0,0 +1,50 @@
+ACCESSION: MSBNK-EAWAG-ED101954
+RECORD_TITLE: Microginin 761B; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.05.01
+AUTHORS: E. Janssen [dtc], X. Wang [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 1019
+CH$NAME: Microginin 761B
+CH$NAME: 2-[[2-[[1-[2-[(3-amino-10-chloro-2-hydroxydecanoyl)amino]-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C37H52ClN5O10
+CH$EXACT_MASS: 761.3402705
+CH$SMILES: NC(C(C(NC(C(N1C(CCC1)C(NC(CC2=CC=C(O)C=C2)C(NC(C(O)=O)CC3=CC=C(O)C=C3)=O)=O)=O)C(C)O)=O)O)CCCCCCCCl
+CH$IUPAC: InChI=1S/C37H52ClN5O10/c1-22(44)31(42-35(50)32(47)27(39)8-5-3-2-4-6-18-38)36(51)43-19-7-9-30(43)34(49)40-28(20-23-10-14-25(45)15-11-23)33(48)41-29(37(52)53)21-24-12-16-26(46)17-13-24/h10-17,22,27-32,44-47H,2-9,18-21,39H2,1H3,(H,40,49)(H,41,48)(H,42,50)(H,52,53)
+CH$LINK: CHEBI 222222
+CH$LINK: PUBCHEM CID:146684933
+CH$LINK: INCHIKEY NWKXLGDOMIUDOE-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 79-797
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.671 min
+MS$FOCUSED_ION: BASE_PEAK 202.144
+MS$FOCUSED_ION: PRECURSOR_M/Z 760.333
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-014i-0100000900-bb8c320d1b99d668bfb5
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  180.0663 C4H11ClN5O- 3 180.0658 3.25
+  396.192 C18H33ClO7- 5 396.192 -0.04
+  574.2879 C27H45ClN3O8- 6 574.2901 -3.74
+  716.3068 C35H47ClN5O9- 2 716.3068 -0.03
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  180.0663 40599.7 136
+  396.192 16865.6 56
+  574.2879 24404.8 82
+  716.3068 296658.3 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED102701.txt b/Eawag/MSBNK-EAWAG-ED102701.txt
new file mode 100644
index 0000000000..d3304e3bba
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED102701.txt
@@ -0,0 +1,63 @@
+ACCESSION: MSBNK-EAWAG-ED102701
+RECORD_TITLE: Bartoloside G; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.6b00351
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1027
+CH$NAME: Bartoloside G
+CH$NAME: (2S,3R,4S,5R)-2-(2-(6-chlorododecyl)-3-hydroxy-5-tridecylphenoxy)tetrahydro-2H-pyran-3,4,5-triol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C36H63ClO6
+CH$EXACT_MASS: 626.4313174
+CH$SMILES: CCCCCCCCCCCCCC1=CC(=C(C(=C1)O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)CCCCCC(CCCCCC)Cl)O
+CH$IUPAC: InChI=1S/C36H63ClO6/c1-3-5-7-9-10-11-12-13-14-15-17-21-28-25-31(38)30(24-20-16-19-23-29(37)22-18-8-6-4-2)33(26-28)43-36-35(41)34(40)32(39)27-42-36/h25-26,29,32,34-36,38-41H,3-24,27H2,1-2H3/t29?,32-,34+,35-,36+/m1/s1
+CH$LINK: PUBCHEM CID:132582910
+CH$LINK: INCHIKEY LZMVCENJBDTSPS-VFHZWBAFSA-N
+CH$LINK: CHEMSPIDER 58197377
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 66-661
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 17.202 min
+MS$FOCUSED_ION: BASE_PEAK 627.4381
+MS$FOCUSED_ION: PRECURSOR_M/Z 627.4386
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-002b-0000935000-707e8c71f2fc814a0207
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  73.0284 C3H5O2+ 1 73.0284 -0.64
+  115.0388 C5H7O3+ 1 115.039 -1.24
+  401.268 C25H37O4+ 2 401.2686 -1.56
+  483.4216 C33H55O2+ 1 483.4197 3.97
+  495.3962 C31H56ClO2+ 1 495.3963 -0.31
+  519.3962 C33H56ClO2+ 1 519.3963 -0.22
+  555.4398 C36H59O4+ 2 555.4408 -1.79
+  573.4052 C36H58ClO3+ 1 573.4069 -2.98
+  591.4172 C36H60ClO4+ 1 591.4175 -0.52
+  627.4385 C36H64ClO6+ 1 627.4386 -0.18
+PK$NUM_PEAK: 10
+PK$PEAK: m/z int. rel.int.
+  73.0284 1150000 77
+  115.0388 461256.3 31
+  401.268 1476322.2 99
+  483.4216 162839.1 10
+  495.3962 14824293 999
+  519.3962 1387343.6 93
+  555.4398 1098009.8 73
+  573.4052 345167.1 23
+  591.4172 3019896.8 203
+  627.4385 9529020 642
+//
diff --git a/Eawag/MSBNK-EAWAG-ED102702.txt b/Eawag/MSBNK-EAWAG-ED102702.txt
new file mode 100644
index 0000000000..fc4dd7c322
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED102702.txt
@@ -0,0 +1,73 @@
+ACCESSION: MSBNK-EAWAG-ED102702
+RECORD_TITLE: Bartoloside G; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.6b00351
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1027
+CH$NAME: Bartoloside G
+CH$NAME: (2S,3R,4S,5R)-2-(2-(6-chlorododecyl)-3-hydroxy-5-tridecylphenoxy)tetrahydro-2H-pyran-3,4,5-triol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C36H63ClO6
+CH$EXACT_MASS: 626.4313174
+CH$SMILES: CCCCCCCCCCCCCC1=CC(=C(C(=C1)O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)CCCCCC(CCCCCC)Cl)O
+CH$IUPAC: InChI=1S/C36H63ClO6/c1-3-5-7-9-10-11-12-13-14-15-17-21-28-25-31(38)30(24-20-16-19-23-29(37)22-18-8-6-4-2)33(26-28)43-36-35(41)34(40)32(39)27-42-36/h25-26,29,32,34-36,38-41H,3-24,27H2,1-2H3/t29?,32-,34+,35-,36+/m1/s1
+CH$LINK: PUBCHEM CID:132582910
+CH$LINK: INCHIKEY LZMVCENJBDTSPS-VFHZWBAFSA-N
+CH$LINK: CHEMSPIDER 58197377
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 66-661
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 17.202 min
+MS$FOCUSED_ION: BASE_PEAK 627.4381
+MS$FOCUSED_ION: PRECURSOR_M/Z 627.4386
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0002-1001912000-104dbccd435e20eb7faf
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  73.0284 C3H5O2+ 1 73.0284 -0.22
+  115.039 C5H7O3+ 1 115.039 0.02
+  161.0597 C10H9O2+ 1 161.0597 -0.19
+  233.08 C13H13O4+ 1 233.0808 -3.66
+  305.2467 C20H33O2+ 2 305.2475 -2.5
+  327.2316 C22H31O2+ 1 327.2319 -0.65
+  329.2472 C22H33O2+ 1 329.2475 -0.96
+  401.2681 C25H37O4+ 2 401.2686 -1.33
+  459.4195 C25H60ClO4+ 2 459.4175 4.41
+  483.4219 C33H55O2+ 1 483.4197 4.54
+  495.3962 C31H56ClO2+ 1 495.3963 -0.31
+  519.397 C33H56ClO2+ 1 519.3963 1.19
+  537.408 C33H58ClO3+ 1 537.4069 2.02
+  555.4413 C36H59O4+ 2 555.4408 0.96
+  627.4385 C36H64ClO6+ 1 627.4386 -0.09
+PK$NUM_PEAK: 15
+PK$PEAK: m/z int. rel.int.
+  73.0284 2851907.2 225
+  115.039 833723.4 65
+  161.0597 148795.8 11
+  233.08 379583.4 29
+  305.2467 2416549.5 190
+  327.2316 379809 29
+  329.2472 809257.6 63
+  401.2681 2381233.8 188
+  459.4195 1852741.2 146
+  483.4219 256171.3 20
+  495.3962 12648605 999
+  519.397 1121336.2 88
+  537.408 576001.2 45
+  555.4413 556275.2 43
+  627.4385 3964060.5 313
+//
diff --git a/Eawag/MSBNK-EAWAG-ED102703.txt b/Eawag/MSBNK-EAWAG-ED102703.txt
new file mode 100644
index 0000000000..c07507f38f
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED102703.txt
@@ -0,0 +1,81 @@
+ACCESSION: MSBNK-EAWAG-ED102703
+RECORD_TITLE: Bartoloside G; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.6b00351
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1027
+CH$NAME: Bartoloside G
+CH$NAME: (2S,3R,4S,5R)-2-(2-(6-chlorododecyl)-3-hydroxy-5-tridecylphenoxy)tetrahydro-2H-pyran-3,4,5-triol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C36H63ClO6
+CH$EXACT_MASS: 626.4313174
+CH$SMILES: CCCCCCCCCCCCCC1=CC(=C(C(=C1)O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)CCCCCC(CCCCCC)Cl)O
+CH$IUPAC: InChI=1S/C36H63ClO6/c1-3-5-7-9-10-11-12-13-14-15-17-21-28-25-31(38)30(24-20-16-19-23-29(37)22-18-8-6-4-2)33(26-28)43-36-35(41)34(40)32(39)27-42-36/h25-26,29,32,34-36,38-41H,3-24,27H2,1-2H3/t29?,32-,34+,35-,36+/m1/s1
+CH$LINK: PUBCHEM CID:132582910
+CH$LINK: INCHIKEY LZMVCENJBDTSPS-VFHZWBAFSA-N
+CH$LINK: CHEMSPIDER 58197377
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 66-661
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 17.202 min
+MS$FOCUSED_ION: BASE_PEAK 627.4381
+MS$FOCUSED_ION: PRECURSOR_M/Z 627.4386
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0a4j-4207900000-1433d89e36121d9e7253
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  69.0336 C4H5O+ 1 69.0335 1.45
+  73.0284 C3H5O2+ 1 73.0284 -0.11
+  87.0442 C4H7O2+ 1 87.0441 1.6
+  97.0282 C5H5O2+ 1 97.0284 -2.12
+  115.0389 C5H7O3+ 1 115.039 -0.38
+  133.0498 C5H9O4+ 1 133.0495 2.29
+  137.0596 C8H9O2+ 1 137.0597 -0.79
+  161.0596 C10H9O2+ 1 161.0597 -0.38
+  233.0805 C13H13O4+ 1 233.0808 -1.63
+  305.247 C20H33O2+ 1 305.2475 -1.8
+  327.2314 C22H31O2+ 1 327.2319 -1.49
+  329.2471 C22H33O2+ 1 329.2475 -1.33
+  347.2592 C22H35O3+ 1 347.2581 3.15
+  383.2583 C25H35O3+ 1 383.2581 0.72
+  401.2682 C25H37O4+ 2 401.2686 -1.03
+  459.4196 C25H60ClO4+ 2 459.4175 4.61
+  495.3961 C31H56ClO2+ 1 495.3963 -0.44
+  609.4293 C36H62ClO5+ 1 609.428 2.01
+  627.4384 C36H64ClO6+ 1 627.4386 -0.28
+PK$NUM_PEAK: 19
+PK$PEAK: m/z int. rel.int.
+  69.0336 161057 26
+  73.0284 3859516 630
+  87.0442 114580.8 18
+  97.0282 267879.9 43
+  115.0389 811941.9 132
+  133.0498 123525.4 20
+  137.0596 1050262.1 171
+  161.0596 483986.3 79
+  233.0805 869686.2 142
+  305.247 6110512 999
+  327.2314 446705 73
+  329.2471 1099125.4 179
+  347.2592 131470.1 21
+  383.2583 190957.3 31
+  401.2682 1334876.6 218
+  459.4196 2284095.5 373
+  495.3961 5440949.5 889
+  609.4293 207691.8 33
+  627.4384 706813.2 115
+//
diff --git a/Eawag/MSBNK-EAWAG-ED102704.txt b/Eawag/MSBNK-EAWAG-ED102704.txt
new file mode 100644
index 0000000000..0c78a1e80e
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED102704.txt
@@ -0,0 +1,81 @@
+ACCESSION: MSBNK-EAWAG-ED102704
+RECORD_TITLE: Bartoloside G; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.6b00351
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1027
+CH$NAME: Bartoloside G
+CH$NAME: (2S,3R,4S,5R)-2-(2-(6-chlorododecyl)-3-hydroxy-5-tridecylphenoxy)tetrahydro-2H-pyran-3,4,5-triol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C36H63ClO6
+CH$EXACT_MASS: 626.4313174
+CH$SMILES: CCCCCCCCCCCCCC1=CC(=C(C(=C1)O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)CCCCCC(CCCCCC)Cl)O
+CH$IUPAC: InChI=1S/C36H63ClO6/c1-3-5-7-9-10-11-12-13-14-15-17-21-28-25-31(38)30(24-20-16-19-23-29(37)22-18-8-6-4-2)33(26-28)43-36-35(41)34(40)32(39)27-42-36/h25-26,29,32,34-36,38-41H,3-24,27H2,1-2H3/t29?,32-,34+,35-,36+/m1/s1
+CH$LINK: PUBCHEM CID:132582910
+CH$LINK: INCHIKEY LZMVCENJBDTSPS-VFHZWBAFSA-N
+CH$LINK: CHEMSPIDER 58197377
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 66-661
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 17.202 min
+MS$FOCUSED_ION: BASE_PEAK 627.4381
+MS$FOCUSED_ION: PRECURSOR_M/Z 627.4386
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0ab9-5519300000-6c50344b7a4f9b740565
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  69.0334 C4H5O+ 1 69.0335 -0.65
+  69.0699 C5H9+ 1 69.0699 0.11
+  73.0284 C3H5O2+ 1 73.0284 -0.11
+  85.0284 C4H5O2+ 1 85.0284 -0.47
+  87.0438 C4H7O2+ 1 87.0441 -3.4
+  97.0284 C5H5O2+ 1 97.0284 0.24
+  97.1011 C7H13+ 1 97.1012 -0.33
+  115.0389 C5H7O3+ 1 115.039 -0.71
+  137.0596 C8H9O2+ 1 137.0597 -1.02
+  151.0754 C9H11O2+ 1 151.0754 0.21
+  161.0594 C10H9O2+ 1 161.0597 -1.61
+  233.0801 C13H13O4+ 1 233.0808 -3.14
+  305.2469 C20H33O2+ 1 305.2475 -2.1
+  327.2309 C22H31O2+ 2 327.2319 -2.98
+  329.2466 C22H33O2+ 2 329.2475 -2.72
+  401.2678 C25H37O4+ 2 401.2686 -2.1
+  459.4192 C25H60ClO4+ 2 459.4175 3.82
+  483.4193 C33H55O2+ 2 483.4197 -0.76
+  495.3955 C31H56ClO2+ 1 495.3963 -1.61
+PK$NUM_PEAK: 19
+PK$PEAK: m/z int. rel.int.
+  69.0334 193234.3 27
+  69.0699 76366.3 10
+  73.0284 4452472.5 628
+  85.0284 213714.1 30
+  87.0438 105684.6 14
+  97.0284 301451.3 42
+  97.1011 103607.5 14
+  115.0389 652625.8 92
+  137.0596 3878353 547
+  151.0754 118334.8 16
+  161.0594 1084340.6 153
+  233.0801 1116440.1 157
+  305.2469 7077139.5 999
+  327.2309 478763.8 67
+  329.2466 1107917.8 156
+  401.2678 397777.8 56
+  459.4192 1695411.4 239
+  483.4193 213485.1 30
+  495.3955 1332810 188
+//
diff --git a/Eawag/MSBNK-EAWAG-ED102705.txt b/Eawag/MSBNK-EAWAG-ED102705.txt
new file mode 100644
index 0000000000..23b8f7b8c4
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED102705.txt
@@ -0,0 +1,81 @@
+ACCESSION: MSBNK-EAWAG-ED102705
+RECORD_TITLE: Bartoloside G; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.6b00351
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1027
+CH$NAME: Bartoloside G
+CH$NAME: (2S,3R,4S,5R)-2-(2-(6-chlorododecyl)-3-hydroxy-5-tridecylphenoxy)tetrahydro-2H-pyran-3,4,5-triol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C36H63ClO6
+CH$EXACT_MASS: 626.4313174
+CH$SMILES: CCCCCCCCCCCCCC1=CC(=C(C(=C1)O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)CCCCCC(CCCCCC)Cl)O
+CH$IUPAC: InChI=1S/C36H63ClO6/c1-3-5-7-9-10-11-12-13-14-15-17-21-28-25-31(38)30(24-20-16-19-23-29(37)22-18-8-6-4-2)33(26-28)43-36-35(41)34(40)32(39)27-42-36/h25-26,29,32,34-36,38-41H,3-24,27H2,1-2H3/t29?,32-,34+,35-,36+/m1/s1
+CH$LINK: PUBCHEM CID:132582910
+CH$LINK: INCHIKEY LZMVCENJBDTSPS-VFHZWBAFSA-N
+CH$LINK: CHEMSPIDER 58197377
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 66-661
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 17.202 min
+MS$FOCUSED_ION: BASE_PEAK 627.4381
+MS$FOCUSED_ION: PRECURSOR_M/Z 627.4386
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0079-4911000000-05527de02252407a6b88
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  69.0335 C4H5O+ 1 69.0335 0.67
+  69.0699 C5H9+ 1 69.0699 -0.33
+  73.0284 C3H5O2+ 1 73.0284 0.41
+  83.0855 C6H11+ 1 83.0855 -0.62
+  85.0284 C4H5O2+ 1 85.0284 0.34
+  97.0286 C5H5O2+ 1 97.0284 2.04
+  97.1013 C7H13+ 1 97.1012 0.84
+  115.0392 C5H7O3+ 1 115.039 1.68
+  123.0438 C7H7O2+ 1 123.0441 -2.42
+  137.0596 C8H9O2+ 1 137.0597 -0.57
+  151.0749 C9H11O2+ 1 151.0754 -2.92
+  161.0596 C10H9O2+ 1 161.0597 -0.76
+  163.0752 C10H11O2+ 1 163.0754 -1.11
+  175.0753 C11H11O2+ 1 175.0754 -0.28
+  179.0703 C10H11O3+ 1 179.0703 0.3
+  233.0805 C13H13O4+ 1 233.0808 -1.24
+  293.2466 C19H33O2+ 2 293.2475 -2.96
+  305.2472 C20H33O2+ 1 305.2475 -0.9
+  459.4191 C25H60ClO4+ 2 459.4175 3.55
+PK$NUM_PEAK: 19
+PK$PEAK: m/z int. rel.int.
+  69.0335 298203.2 34
+  69.0699 456712.3 53
+  73.0284 4335864.5 508
+  83.0855 172100 20
+  85.0284 210985.2 24
+  97.0286 287277.1 33
+  97.1013 325830 38
+  115.0392 260264 30
+  123.0438 225160.8 26
+  137.0596 8526587 999
+  151.0749 301477.8 35
+  161.0596 1425139.9 166
+  163.0752 205512.8 24
+  175.0753 226593.8 26
+  179.0703 236708.9 27
+  233.0805 1112761 130
+  293.2466 160685.1 18
+  305.2472 1455767.6 170
+  459.4191 206593.2 24
+//
diff --git a/Eawag/MSBNK-EAWAG-ED102706.txt b/Eawag/MSBNK-EAWAG-ED102706.txt
new file mode 100644
index 0000000000..800cde89a0
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED102706.txt
@@ -0,0 +1,87 @@
+ACCESSION: MSBNK-EAWAG-ED102706
+RECORD_TITLE: Bartoloside G; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.6b00351
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1027
+CH$NAME: Bartoloside G
+CH$NAME: (2S,3R,4S,5R)-2-(2-(6-chlorododecyl)-3-hydroxy-5-tridecylphenoxy)tetrahydro-2H-pyran-3,4,5-triol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C36H63ClO6
+CH$EXACT_MASS: 626.4313174
+CH$SMILES: CCCCCCCCCCCCCC1=CC(=C(C(=C1)O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)CCCCCC(CCCCCC)Cl)O
+CH$IUPAC: InChI=1S/C36H63ClO6/c1-3-5-7-9-10-11-12-13-14-15-17-21-28-25-31(38)30(24-20-16-19-23-29(37)22-18-8-6-4-2)33(26-28)43-36-35(41)34(40)32(39)27-42-36/h25-26,29,32,34-36,38-41H,3-24,27H2,1-2H3/t29?,32-,34+,35-,36+/m1/s1
+CH$LINK: PUBCHEM CID:132582910
+CH$LINK: INCHIKEY LZMVCENJBDTSPS-VFHZWBAFSA-N
+CH$LINK: CHEMSPIDER 58197377
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 66-661
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 17.202 min
+MS$FOCUSED_ION: BASE_PEAK 627.4381
+MS$FOCUSED_ION: PRECURSOR_M/Z 627.4386
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0079-5900000000-86a0e0548cbbf5804b26
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  69.0335 C4H5O+ 1 69.0335 0.78
+  69.0698 C5H9+ 1 69.0699 -0.44
+  71.0126 C3H3O2+ 1 71.0128 -2.09
+  71.0855 C5H11+ 1 71.0855 0.14
+  73.0284 C3H5O2+ 1 73.0284 -0.01
+  83.0855 C6H11+ 1 83.0855 -0.8
+  85.0286 C4H5O2+ 1 85.0284 1.96
+  97.0286 C5H5O2+ 1 97.0284 2.04
+  97.1011 C7H13+ 1 97.1012 -0.65
+  115.0389 C5H7O3+ 1 115.039 -0.84
+  123.044 C7H7O2+ 1 123.0441 -0.13
+  137.0596 C8H9O2+ 1 137.0597 -0.91
+  147.0441 C9H7O2+ 1 147.0441 0.27
+  147.0799 C10H11O+ 1 147.0804 -3.63
+  151.0752 C9H11O2+ 1 151.0754 -0.9
+  161.0597 C10H9O2+ 1 161.0597 -0.1
+  163.0755 C10H11O2+ 1 163.0754 0.76
+  175.0748 C11H11O2+ 1 175.0754 -3.33
+  177.0904 C11H13O2+ 1 177.091 -3.67
+  179.0701 C10H11O3+ 1 179.0703 -0.81
+  203.0697 C12H11O3+ 1 203.0703 -2.74
+  233.0803 C13H13O4+ 1 233.0808 -2.22
+PK$NUM_PEAK: 22
+PK$PEAK: m/z int. rel.int.
+  69.0335 252018.1 34
+  69.0698 730703.6 101
+  71.0126 77425.1 10
+  71.0855 163019.8 22
+  73.0284 3636788.8 504
+  83.0855 223799.9 31
+  85.0286 243682.9 33
+  97.0286 149691 20
+  97.1011 152824.8 21
+  115.0389 113963.8 15
+  123.044 227741.9 31
+  137.0596 7207599.5 999
+  147.0441 105238.8 14
+  147.0799 91148 12
+  151.0752 296245.6 41
+  161.0597 1067370.1 147
+  163.0755 202811.2 28
+  175.0748 328639.3 45
+  177.0904 100891.3 13
+  179.0701 243973.5 33
+  203.0697 156106.5 21
+  233.0803 551963.1 76
+//
diff --git a/Eawag/MSBNK-EAWAG-ED102707.txt b/Eawag/MSBNK-EAWAG-ED102707.txt
new file mode 100644
index 0000000000..fc4838f596
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED102707.txt
@@ -0,0 +1,83 @@
+ACCESSION: MSBNK-EAWAG-ED102707
+RECORD_TITLE: Bartoloside G; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.6b00351
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1027
+CH$NAME: Bartoloside G
+CH$NAME: (2S,3R,4S,5R)-2-(2-(6-chlorododecyl)-3-hydroxy-5-tridecylphenoxy)tetrahydro-2H-pyran-3,4,5-triol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C36H63ClO6
+CH$EXACT_MASS: 626.4313174
+CH$SMILES: CCCCCCCCCCCCCC1=CC(=C(C(=C1)O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)CCCCCC(CCCCCC)Cl)O
+CH$IUPAC: InChI=1S/C36H63ClO6/c1-3-5-7-9-10-11-12-13-14-15-17-21-28-25-31(38)30(24-20-16-19-23-29(37)22-18-8-6-4-2)33(26-28)43-36-35(41)34(40)32(39)27-42-36/h25-26,29,32,34-36,38-41H,3-24,27H2,1-2H3/t29?,32-,34+,35-,36+/m1/s1
+CH$LINK: PUBCHEM CID:132582910
+CH$LINK: INCHIKEY LZMVCENJBDTSPS-VFHZWBAFSA-N
+CH$LINK: CHEMSPIDER 58197377
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 66-661
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 17.202 min
+MS$FOCUSED_ION: BASE_PEAK 627.4381
+MS$FOCUSED_ION: PRECURSOR_M/Z 627.4386
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0079-5900000000-14b0114d5ab40d147de1
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  69.0336 C4H5O+ 1 69.0335 1.23
+  69.0699 C5H9+ 1 69.0699 0.11
+  71.0129 C3H3O2+ 1 71.0128 2.64
+  71.0855 C5H11+ 1 71.0855 -0.18
+  73.0284 C3H5O2+ 1 73.0284 0.3
+  83.0856 C6H11+ 1 83.0855 1.04
+  85.0282 C4H5O2+ 1 85.0284 -2.53
+  87.0441 C4H7O2+ 1 87.0441 0.19
+  123.0441 C7H7O2+ 1 123.0441 0.31
+  137.0596 C8H9O2+ 1 137.0597 -0.79
+  147.0446 C9H7O2+ 1 147.0441 3.49
+  151.0754 C9H11O2+ 1 151.0754 0.21
+  161.0596 C10H9O2+ 1 161.0597 -0.66
+  163.0755 C10H11O2+ 1 163.0754 0.67
+  174.0677 C11H10O2+ 1 174.0675 1.05
+  175.075 C11H11O2+ 1 175.0754 -2.28
+  179.0705 C10H11O3+ 1 179.0703 1.15
+  187.0759 C12H11O2+ 1 187.0754 3.03
+  203.0701 C12H11O3+ 1 203.0703 -1.01
+  233.0802 C13H13O4+ 1 233.0808 -2.68
+PK$NUM_PEAK: 20
+PK$PEAK: m/z int. rel.int.
+  69.0336 263326.7 55
+  69.0699 631959.8 133
+  71.0129 106552.3 22
+  71.0855 103224.2 21
+  73.0284 3067188.8 649
+  83.0856 215174.1 45
+  85.0282 257095.9 54
+  87.0441 59174.6 12
+  123.0441 272266.1 57
+  137.0596 4716578 999
+  147.0446 86407.7 18
+  151.0754 319376.7 67
+  161.0596 988507.7 209
+  163.0755 128149.9 27
+  174.0677 184458.2 39
+  175.075 337644.8 71
+  179.0705 117537 24
+  187.0759 168808.1 35
+  203.0701 114312 24
+  233.0802 163489.7 34
+//
diff --git a/Eawag/MSBNK-EAWAG-ED102708.txt b/Eawag/MSBNK-EAWAG-ED102708.txt
new file mode 100644
index 0000000000..6ced8a2efe
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED102708.txt
@@ -0,0 +1,79 @@
+ACCESSION: MSBNK-EAWAG-ED102708
+RECORD_TITLE: Bartoloside G; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.6b00351
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1027
+CH$NAME: Bartoloside G
+CH$NAME: (2S,3R,4S,5R)-2-(2-(6-chlorododecyl)-3-hydroxy-5-tridecylphenoxy)tetrahydro-2H-pyran-3,4,5-triol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C36H63ClO6
+CH$EXACT_MASS: 626.4313174
+CH$SMILES: CCCCCCCCCCCCCC1=CC(=C(C(=C1)O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)CCCCCC(CCCCCC)Cl)O
+CH$IUPAC: InChI=1S/C36H63ClO6/c1-3-5-7-9-10-11-12-13-14-15-17-21-28-25-31(38)30(24-20-16-19-23-29(37)22-18-8-6-4-2)33(26-28)43-36-35(41)34(40)32(39)27-42-36/h25-26,29,32,34-36,38-41H,3-24,27H2,1-2H3/t29?,32-,34+,35-,36+/m1/s1
+CH$LINK: PUBCHEM CID:132582910
+CH$LINK: INCHIKEY LZMVCENJBDTSPS-VFHZWBAFSA-N
+CH$LINK: CHEMSPIDER 58197377
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 66-661
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 17.202 min
+MS$FOCUSED_ION: BASE_PEAK 627.4381
+MS$FOCUSED_ION: PRECURSOR_M/Z 627.4386
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0079-6900000000-e6143617e27cab4cb305
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  67.0544 C5H7+ 1 67.0542 2.01
+  69.0337 C4H5O+ 1 69.0335 2.66
+  69.0698 C5H9+ 1 69.0699 -1.33
+  71.0129 C3H3O2+ 1 71.0128 1.78
+  73.0284 C3H5O2+ 1 73.0284 0.09
+  81.0698 C6H9+ 1 81.0699 -1.04
+  83.0858 C6H11+ 1 83.0855 3.7
+  85.0285 C4H5O2+ 1 85.0284 1.15
+  91.054 C7H7+ 1 91.0542 -2.78
+  97.0285 C5H5O2+ 1 97.0284 1.1
+  109.0651 C7H9O+ 1 109.0648 2.58
+  123.044 C7H7O2+ 1 123.0441 -0.44
+  137.0596 C8H9O2+ 1 137.0597 -0.57
+  147.0439 C9H7O2+ 1 147.0441 -1.39
+  151.0749 C9H11O2+ 1 151.0754 -3.02
+  161.0596 C10H9O2+ 1 161.0597 -0.66
+  163.0757 C10H11O2+ 1 163.0754 2.35
+  187.0751 C12H11O2+ 1 187.0754 -1.29
+PK$NUM_PEAK: 18
+PK$PEAK: m/z int. rel.int.
+  67.0544 72202 24
+  69.0337 195914.2 65
+  69.0698 503476.8 169
+  71.0129 116743.8 39
+  73.0284 1764943.4 593
+  81.0698 105459.2 35
+  83.0858 99340.2 33
+  85.0285 184888.4 62
+  91.054 80181.5 26
+  97.0285 63565.4 21
+  109.0651 162822.9 54
+  123.044 244281 82
+  137.0596 2971727.5 999
+  147.0439 46250.6 15
+  151.0749 272298.8 91
+  161.0596 626543.9 210
+  163.0757 89919.6 30
+  187.0751 84806.5 28
+//
diff --git a/Eawag/MSBNK-EAWAG-ED102709.txt b/Eawag/MSBNK-EAWAG-ED102709.txt
new file mode 100644
index 0000000000..137315d407
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED102709.txt
@@ -0,0 +1,81 @@
+ACCESSION: MSBNK-EAWAG-ED102709
+RECORD_TITLE: Bartoloside G; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.6b00351
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1027
+CH$NAME: Bartoloside G
+CH$NAME: (2S,3R,4S,5R)-2-(2-(6-chlorododecyl)-3-hydroxy-5-tridecylphenoxy)tetrahydro-2H-pyran-3,4,5-triol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C36H63ClO6
+CH$EXACT_MASS: 626.4313174
+CH$SMILES: CCCCCCCCCCCCCC1=CC(=C(C(=C1)O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)CCCCCC(CCCCCC)Cl)O
+CH$IUPAC: InChI=1S/C36H63ClO6/c1-3-5-7-9-10-11-12-13-14-15-17-21-28-25-31(38)30(24-20-16-19-23-29(37)22-18-8-6-4-2)33(26-28)43-36-35(41)34(40)32(39)27-42-36/h25-26,29,32,34-36,38-41H,3-24,27H2,1-2H3/t29?,32-,34+,35-,36+/m1/s1
+CH$LINK: PUBCHEM CID:132582910
+CH$LINK: INCHIKEY LZMVCENJBDTSPS-VFHZWBAFSA-N
+CH$LINK: CHEMSPIDER 58197377
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 66-661
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 17.202 min
+MS$FOCUSED_ION: BASE_PEAK 627.4381
+MS$FOCUSED_ION: PRECURSOR_M/Z 627.4386
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0079-7900000000-8bbab12fbc0e3b235571
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  67.0541 C5H7+ 1 67.0542 -2.54
+  69.0336 C4H5O+ 1 69.0335 2.22
+  69.0699 C5H9+ 1 69.0699 0.88
+  71.0129 C3H3O2+ 1 71.0128 1.78
+  73.0284 C3H5O2+ 1 73.0284 -0.22
+  79.0542 C6H7+ 1 79.0542 0.15
+  81.0698 C6H9+ 1 81.0699 -1.04
+  85.0285 C4H5O2+ 1 85.0284 0.79
+  91.0539 C7H7+ 1 91.0542 -3.53
+  105.07 C8H9+ 1 105.0699 1
+  107.0493 C7H7O+ 1 107.0491 1.79
+  109.0643 C7H9O+ 1 109.0648 -4.07
+  121.0646 C8H9O+ 1 121.0648 -1.31
+  123.0443 C7H7O2+ 1 123.0441 1.98
+  133.0652 C9H9O+ 1 133.0648 3
+  137.0596 C8H9O2+ 1 137.0597 -1.02
+  151.075 C9H11O2+ 1 151.0754 -2.21
+  161.0598 C10H9O2+ 1 161.0597 0.47
+  175.0751 C11H11O2+ 1 175.0754 -1.24
+PK$NUM_PEAK: 19
+PK$PEAK: m/z int. rel.int.
+  67.0541 88568 46
+  69.0336 201694.9 106
+  69.0699 322437.4 170
+  71.0129 120816.7 64
+  73.0284 1396553 740
+  79.0542 152989.3 81
+  81.0698 133430.4 70
+  85.0285 171927.7 91
+  91.0539 237741.2 126
+  105.07 166871.2 88
+  107.0493 83570.1 44
+  109.0643 247203.7 131
+  121.0646 108651.1 57
+  123.0443 208170.8 110
+  133.0652 64187.3 34
+  137.0596 1884497.1 999
+  151.075 139669.5 74
+  161.0598 462056.5 244
+  175.0751 135399.1 71
+//
diff --git a/Eawag/MSBNK-EAWAG-ED102751.txt b/Eawag/MSBNK-EAWAG-ED102751.txt
new file mode 100644
index 0000000000..66353cd71d
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED102751.txt
@@ -0,0 +1,51 @@
+ACCESSION: MSBNK-EAWAG-ED102751
+RECORD_TITLE: Bartoloside G; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.6b00351
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1027
+CH$NAME: Bartoloside G
+CH$NAME: (2S,3R,4S,5R)-2-(2-(6-chlorododecyl)-3-hydroxy-5-tridecylphenoxy)tetrahydro-2H-pyran-3,4,5-triol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C36H63ClO6
+CH$EXACT_MASS: 626.4313174
+CH$SMILES: CCCCCCCCCCCCCC1=CC(=C(C(=C1)O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)CCCCCC(CCCCCC)Cl)O
+CH$IUPAC: InChI=1S/C36H63ClO6/c1-3-5-7-9-10-11-12-13-14-15-17-21-28-25-31(38)30(24-20-16-19-23-29(37)22-18-8-6-4-2)33(26-28)43-36-35(41)34(40)32(39)27-42-36/h25-26,29,32,34-36,38-41H,3-24,27H2,1-2H3/t29?,32-,34+,35-,36+/m1/s1
+CH$LINK: PUBCHEM CID:132582910
+CH$LINK: INCHIKEY LZMVCENJBDTSPS-VFHZWBAFSA-N
+CH$LINK: CHEMSPIDER 58197377
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 65-659
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 17.189 min
+MS$FOCUSED_ION: BASE_PEAK 671.4299
+MS$FOCUSED_ION: PRECURSOR_M/Z 625.424
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-004l-0000709000-d1d3f836ad9cd4b38322
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  457.4045 C31H53O2- 2 457.4051 -1.43
+  493.3815 C31H54ClO2- 1 493.3818 -0.54
+  589.4469 C36H61O6- 1 589.4474 -0.74
+  625.4238 C36H62ClO6- 1 625.424 -0.34
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  457.4045 211943.7 90
+  493.3815 1680124 713
+  589.4469 209864.9 89
+  625.4238 2351469.5 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED102752.txt b/Eawag/MSBNK-EAWAG-ED102752.txt
new file mode 100644
index 0000000000..d159af2d10
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED102752.txt
@@ -0,0 +1,51 @@
+ACCESSION: MSBNK-EAWAG-ED102752
+RECORD_TITLE: Bartoloside G; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.6b00351
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1027
+CH$NAME: Bartoloside G
+CH$NAME: (2S,3R,4S,5R)-2-(2-(6-chlorododecyl)-3-hydroxy-5-tridecylphenoxy)tetrahydro-2H-pyran-3,4,5-triol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C36H63ClO6
+CH$EXACT_MASS: 626.4313174
+CH$SMILES: CCCCCCCCCCCCCC1=CC(=C(C(=C1)O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)CCCCCC(CCCCCC)Cl)O
+CH$IUPAC: InChI=1S/C36H63ClO6/c1-3-5-7-9-10-11-12-13-14-15-17-21-28-25-31(38)30(24-20-16-19-23-29(37)22-18-8-6-4-2)33(26-28)43-36-35(41)34(40)32(39)27-42-36/h25-26,29,32,34-36,38-41H,3-24,27H2,1-2H3/t29?,32-,34+,35-,36+/m1/s1
+CH$LINK: PUBCHEM CID:132582910
+CH$LINK: INCHIKEY LZMVCENJBDTSPS-VFHZWBAFSA-N
+CH$LINK: CHEMSPIDER 58197377
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 65-659
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 17.189 min
+MS$FOCUSED_ION: BASE_PEAK 671.4299
+MS$FOCUSED_ION: PRECURSOR_M/Z 625.424
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0006-0000900000-e6fb2b35d365ba2bc18c
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  457.4047 C31H53O2- 2 457.4051 -0.83
+  493.3816 C31H54ClO2- 1 493.3818 -0.42
+  589.4475 C36H61O6- 1 589.4474 0.3
+  625.4253 C36H62ClO6- 1 625.424 2
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  457.4047 745004.6 435
+  493.3816 1710444.1 999
+  589.4475 64773.1 37
+  625.4253 117013.5 68
+//
diff --git a/Eawag/MSBNK-EAWAG-ED102753.txt b/Eawag/MSBNK-EAWAG-ED102753.txt
new file mode 100644
index 0000000000..1b6059b547
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED102753.txt
@@ -0,0 +1,47 @@
+ACCESSION: MSBNK-EAWAG-ED102753
+RECORD_TITLE: Bartoloside G; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.6b00351
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1027
+CH$NAME: Bartoloside G
+CH$NAME: (2S,3R,4S,5R)-2-(2-(6-chlorododecyl)-3-hydroxy-5-tridecylphenoxy)tetrahydro-2H-pyran-3,4,5-triol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C36H63ClO6
+CH$EXACT_MASS: 626.4313174
+CH$SMILES: CCCCCCCCCCCCCC1=CC(=C(C(=C1)O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)CCCCCC(CCCCCC)Cl)O
+CH$IUPAC: InChI=1S/C36H63ClO6/c1-3-5-7-9-10-11-12-13-14-15-17-21-28-25-31(38)30(24-20-16-19-23-29(37)22-18-8-6-4-2)33(26-28)43-36-35(41)34(40)32(39)27-42-36/h25-26,29,32,34-36,38-41H,3-24,27H2,1-2H3/t29?,32-,34+,35-,36+/m1/s1
+CH$LINK: PUBCHEM CID:132582910
+CH$LINK: INCHIKEY LZMVCENJBDTSPS-VFHZWBAFSA-N
+CH$LINK: CHEMSPIDER 58197377
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 65-659
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 17.189 min
+MS$FOCUSED_ION: BASE_PEAK 671.4299
+MS$FOCUSED_ION: PRECURSOR_M/Z 625.424
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0a4l-0000900000-0eca693e0785ab751a19
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  457.4047 C31H53O2- 2 457.4051 -0.9
+  493.3816 C31H54ClO2- 1 493.3818 -0.42
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  457.4047 1468674.2 999
+  493.3816 984957.5 669
+//
diff --git a/Eawag/MSBNK-EAWAG-ED102754.txt b/Eawag/MSBNK-EAWAG-ED102754.txt
new file mode 100644
index 0000000000..ed50a3046b
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED102754.txt
@@ -0,0 +1,47 @@
+ACCESSION: MSBNK-EAWAG-ED102754
+RECORD_TITLE: Bartoloside G; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.6b00351
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1027
+CH$NAME: Bartoloside G
+CH$NAME: (2S,3R,4S,5R)-2-(2-(6-chlorododecyl)-3-hydroxy-5-tridecylphenoxy)tetrahydro-2H-pyran-3,4,5-triol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C36H63ClO6
+CH$EXACT_MASS: 626.4313174
+CH$SMILES: CCCCCCCCCCCCCC1=CC(=C(C(=C1)O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)CCCCCC(CCCCCC)Cl)O
+CH$IUPAC: InChI=1S/C36H63ClO6/c1-3-5-7-9-10-11-12-13-14-15-17-21-28-25-31(38)30(24-20-16-19-23-29(37)22-18-8-6-4-2)33(26-28)43-36-35(41)34(40)32(39)27-42-36/h25-26,29,32,34-36,38-41H,3-24,27H2,1-2H3/t29?,32-,34+,35-,36+/m1/s1
+CH$LINK: PUBCHEM CID:132582910
+CH$LINK: INCHIKEY LZMVCENJBDTSPS-VFHZWBAFSA-N
+CH$LINK: CHEMSPIDER 58197377
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 65-659
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 17.189 min
+MS$FOCUSED_ION: BASE_PEAK 671.4299
+MS$FOCUSED_ION: PRECURSOR_M/Z 625.424
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0a4i-0000900000-4cb7a097369fe5430ecb
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  457.405 C31H53O2- 2 457.4051 -0.3
+  493.3819 C31H54ClO2- 1 493.3818 0.26
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  457.405 2007239.8 999
+  493.3819 280379.7 139
+//
diff --git a/Eawag/MSBNK-EAWAG-ED102755.txt b/Eawag/MSBNK-EAWAG-ED102755.txt
new file mode 100644
index 0000000000..efa3e859e6
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED102755.txt
@@ -0,0 +1,45 @@
+ACCESSION: MSBNK-EAWAG-ED102755
+RECORD_TITLE: Bartoloside G; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.6b00351
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1027
+CH$NAME: Bartoloside G
+CH$NAME: (2S,3R,4S,5R)-2-(2-(6-chlorododecyl)-3-hydroxy-5-tridecylphenoxy)tetrahydro-2H-pyran-3,4,5-triol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C36H63ClO6
+CH$EXACT_MASS: 626.4313174
+CH$SMILES: CCCCCCCCCCCCCC1=CC(=C(C(=C1)O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)CCCCCC(CCCCCC)Cl)O
+CH$IUPAC: InChI=1S/C36H63ClO6/c1-3-5-7-9-10-11-12-13-14-15-17-21-28-25-31(38)30(24-20-16-19-23-29(37)22-18-8-6-4-2)33(26-28)43-36-35(41)34(40)32(39)27-42-36/h25-26,29,32,34-36,38-41H,3-24,27H2,1-2H3/t29?,32-,34+,35-,36+/m1/s1
+CH$LINK: PUBCHEM CID:132582910
+CH$LINK: INCHIKEY LZMVCENJBDTSPS-VFHZWBAFSA-N
+CH$LINK: CHEMSPIDER 58197377
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 65-659
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 17.189 min
+MS$FOCUSED_ION: BASE_PEAK 671.4299
+MS$FOCUSED_ION: PRECURSOR_M/Z 625.424
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0a4i-0000900000-db29cf43a68407976be1
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  457.4047 C31H53O2- 2 457.4051 -0.9
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  457.4047 2340033 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED102756.txt b/Eawag/MSBNK-EAWAG-ED102756.txt
new file mode 100644
index 0000000000..c600596b05
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED102756.txt
@@ -0,0 +1,49 @@
+ACCESSION: MSBNK-EAWAG-ED102756
+RECORD_TITLE: Bartoloside G; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.6b00351
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1027
+CH$NAME: Bartoloside G
+CH$NAME: (2S,3R,4S,5R)-2-(2-(6-chlorododecyl)-3-hydroxy-5-tridecylphenoxy)tetrahydro-2H-pyran-3,4,5-triol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C36H63ClO6
+CH$EXACT_MASS: 626.4313174
+CH$SMILES: CCCCCCCCCCCCCC1=CC(=C(C(=C1)O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)CCCCCC(CCCCCC)Cl)O
+CH$IUPAC: InChI=1S/C36H63ClO6/c1-3-5-7-9-10-11-12-13-14-15-17-21-28-25-31(38)30(24-20-16-19-23-29(37)22-18-8-6-4-2)33(26-28)43-36-35(41)34(40)32(39)27-42-36/h25-26,29,32,34-36,38-41H,3-24,27H2,1-2H3/t29?,32-,34+,35-,36+/m1/s1
+CH$LINK: PUBCHEM CID:132582910
+CH$LINK: INCHIKEY LZMVCENJBDTSPS-VFHZWBAFSA-N
+CH$LINK: CHEMSPIDER 58197377
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 65-659
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 17.189 min
+MS$FOCUSED_ION: BASE_PEAK 671.4299
+MS$FOCUSED_ION: PRECURSOR_M/Z 625.424
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0a4i-0000900000-40a045de9dcc8709364b
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  207.1752 C14H23O- 1 207.1754 -1.39
+  249.2218 C17H29O- 1 249.2224 -2.56
+  457.4046 C31H53O2- 2 457.4051 -1.03
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  207.1752 26548 15
+  249.2218 24756.4 14
+  457.4046 1748973.6 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED102757.txt b/Eawag/MSBNK-EAWAG-ED102757.txt
new file mode 100644
index 0000000000..d4b01f13ed
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED102757.txt
@@ -0,0 +1,51 @@
+ACCESSION: MSBNK-EAWAG-ED102757
+RECORD_TITLE: Bartoloside G; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.6b00351
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1027
+CH$NAME: Bartoloside G
+CH$NAME: (2S,3R,4S,5R)-2-(2-(6-chlorododecyl)-3-hydroxy-5-tridecylphenoxy)tetrahydro-2H-pyran-3,4,5-triol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C36H63ClO6
+CH$EXACT_MASS: 626.4313174
+CH$SMILES: CCCCCCCCCCCCCC1=CC(=C(C(=C1)O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)CCCCCC(CCCCCC)Cl)O
+CH$IUPAC: InChI=1S/C36H63ClO6/c1-3-5-7-9-10-11-12-13-14-15-17-21-28-25-31(38)30(24-20-16-19-23-29(37)22-18-8-6-4-2)33(26-28)43-36-35(41)34(40)32(39)27-42-36/h25-26,29,32,34-36,38-41H,3-24,27H2,1-2H3/t29?,32-,34+,35-,36+/m1/s1
+CH$LINK: PUBCHEM CID:132582910
+CH$LINK: INCHIKEY LZMVCENJBDTSPS-VFHZWBAFSA-N
+CH$LINK: CHEMSPIDER 58197377
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 65-659
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 17.189 min
+MS$FOCUSED_ION: BASE_PEAK 671.4299
+MS$FOCUSED_ION: PRECURSOR_M/Z 625.424
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0a4i-0010900000-0fec3bd101ed18e5af42
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  97.0658 C6H9O- 1 97.0659 -0.82
+  207.1745 C14H23O- 1 207.1754 -4.41
+  291.2326 C19H31O2- 1 291.233 -1.37
+  457.4046 C31H53O2- 2 457.4051 -1.03
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  97.0658 40159.8 63
+  207.1745 32933 52
+  291.2326 83559.7 132
+  457.4046 629769.3 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED103101.txt b/Eawag/MSBNK-EAWAG-ED103101.txt
new file mode 100644
index 0000000000..ac19e3d8fe
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED103101.txt
@@ -0,0 +1,67 @@
+ACCESSION: MSBNK-EAWAG-ED103101
+RECORD_TITLE: Bartoloside I; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.6b00351
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1031
+CH$NAME: Bartoloside I
+CH$NAME: (2S,3R,4S,5R)-2-(2-(6-chlorododecyl)-5-(6,6-dichlorotridecyl)-3-hydroxyphenoxy)tetrahydro-2H-pyran-3,4,5-triol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C36H61Cl3O6
+CH$EXACT_MASS: 694.3533727
+CH$SMILES: CCCCCCCC(CCCCCC1=CC(=C(C(=C1)O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)CCCCCC(CCCCCC)Cl)O)(Cl)Cl
+CH$IUPAC: InChI=1S/C36H61Cl3O6/c1-3-5-7-9-16-22-36(38,39)23-17-11-12-18-27-24-30(40)29(21-15-10-14-20-28(37)19-13-8-6-4-2)32(25-27)45-35-34(43)33(42)31(41)26-44-35/h24-25,28,31,33-35,40-43H,3-23,26H2,1-2H3/t28?,31-,33+,34-,35+/m1/s1
+CH$LINK: PUBCHEM CID:132582914
+CH$LINK: INCHIKEY LWFZKXMCJDHBNJ-SLKDEOFASA-N
+CH$LINK: CHEMSPIDER 58197379
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 72-730
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 16.951 min
+MS$FOCUSED_ION: BASE_PEAK 563.3178
+MS$FOCUSED_ION: PRECURSOR_M/Z 695.3606
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-01ta-0000094000-d8e39b8aae6cfbc0046f
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  73.0284 C3H5O2+ 1 73.0284 -0.22
+  115.0388 C5H7O3+ 1 115.039 -1.37
+  133.0495 C5H9O4+ 1 133.0495 -0.58
+  339.2079 C20H32ClO2+ 2 339.2085 -1.82
+  397.2356 C19H38ClO6+ 2 397.2351 1.27
+  433.2136 C25H34ClO4+ 2 433.214 -0.93
+  491.3666 C31H52ClO2+ 1 491.365 3.23
+  527.3413 C31H53Cl2O2+ 2 527.3417 -0.76
+  563.3182 C31H54Cl3O2+ 1 563.3184 -0.32
+  569.3532 C33H55Cl2O3+ 1 569.3523 1.71
+  623.3625 C36H57Cl2O4+ 2 623.3628 -0.47
+  695.3599 C36H62Cl3O6+ 1 695.3606 -1.14
+PK$NUM_PEAK: 12
+PK$PEAK: m/z int. rel.int.
+  73.0284 250235.5 99
+  115.0388 109243.8 43
+  133.0495 36589.9 14
+  339.2079 40478.5 16
+  397.2356 30842.1 12
+  433.2136 122882.2 49
+  491.3666 92906.7 37
+  527.3413 2503934.5 999
+  563.3182 1918734.8 765
+  569.3532 116968.3 46
+  623.3625 711346.7 283
+  695.3599 1731381.5 690
+//
diff --git a/Eawag/MSBNK-EAWAG-ED103102.txt b/Eawag/MSBNK-EAWAG-ED103102.txt
new file mode 100644
index 0000000000..d7a3313387
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED103102.txt
@@ -0,0 +1,81 @@
+ACCESSION: MSBNK-EAWAG-ED103102
+RECORD_TITLE: Bartoloside I; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.6b00351
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1031
+CH$NAME: Bartoloside I
+CH$NAME: (2S,3R,4S,5R)-2-(2-(6-chlorododecyl)-5-(6,6-dichlorotridecyl)-3-hydroxyphenoxy)tetrahydro-2H-pyran-3,4,5-triol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C36H61Cl3O6
+CH$EXACT_MASS: 694.3533727
+CH$SMILES: CCCCCCCC(CCCCCC1=CC(=C(C(=C1)O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)CCCCCC(CCCCCC)Cl)O)(Cl)Cl
+CH$IUPAC: InChI=1S/C36H61Cl3O6/c1-3-5-7-9-16-22-36(38,39)23-17-11-12-18-27-24-30(40)29(21-15-10-14-20-28(37)19-13-8-6-4-2)32(25-27)45-35-34(43)33(42)31(41)26-44-35/h24-25,28,31,33-35,40-43H,3-23,26H2,1-2H3/t28?,31-,33+,34-,35+/m1/s1
+CH$LINK: PUBCHEM CID:132582914
+CH$LINK: INCHIKEY LWFZKXMCJDHBNJ-SLKDEOFASA-N
+CH$LINK: CHEMSPIDER 58197379
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 72-730
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 16.951 min
+MS$FOCUSED_ION: BASE_PEAK 563.3178
+MS$FOCUSED_ION: PRECURSOR_M/Z 695.3606
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-004i-1001192000-9af99180442ff75be432
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  73.0284 C3H5O2+ 1 73.0284 -0.43
+  115.0388 C5H7O3+ 1 115.039 -1.57
+  133.049 C5H9O4+ 1 133.0495 -4.36
+  303.2314 C20H31O2+ 1 303.2319 -1.55
+  337.1921 C20H30ClO2+ 2 337.1929 -2.43
+  339.2081 C20H32ClO2+ 1 339.2085 -1.37
+  361.1931 C22H30ClO2+ 1 361.1929 0.47
+  397.2357 C19H38ClO6+ 2 397.2351 1.35
+  399.2527 C25H35O4+ 2 399.253 -0.61
+  433.214 C25H34ClO4+ 1 433.214 0.05
+  491.3645 C31H52ClO2+ 2 491.365 -1.18
+  513.3501 C33H50ClO2+ 1 513.3494 1.3
+  515.3651 C33H52ClO2+ 2 515.365 0.08
+  527.3414 C31H53Cl2O2+ 2 527.3417 -0.53
+  563.3188 C31H54Cl3O2+ 1 563.3184 0.66
+  569.3545 C33H55Cl2O3+ 1 569.3523 3.96
+  605.3477 C30H60Cl3O5+ 1 605.3501 -3.93
+  659.3834 C36H61Cl2O6+ 1 659.384 -0.79
+  695.3591 C36H62Cl3O6+ 1 695.3606 -2.28
+PK$NUM_PEAK: 19
+PK$PEAK: m/z int. rel.int.
+  73.0284 573643.5 161
+  115.0388 218012.8 61
+  133.049 64429.4 18
+  303.2314 48446.7 13
+  337.1921 106224.6 29
+  339.2081 155446.8 43
+  361.1931 53757.4 15
+  397.2357 98019.5 27
+  399.2527 98902.7 27
+  433.214 206768.2 58
+  491.3645 452705.6 127
+  513.3501 40972.6 11
+  515.3651 113614.1 31
+  527.3414 3558776.2 999
+  563.3188 351388.4 98
+  569.3545 194936.3 54
+  605.3477 161884.5 45
+  659.3834 607879 170
+  695.3591 557963.9 156
+//
diff --git a/Eawag/MSBNK-EAWAG-ED103103.txt b/Eawag/MSBNK-EAWAG-ED103103.txt
new file mode 100644
index 0000000000..a71e0c4996
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED103103.txt
@@ -0,0 +1,103 @@
+ACCESSION: MSBNK-EAWAG-ED103103
+RECORD_TITLE: Bartoloside I; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.6b00351
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1031
+CH$NAME: Bartoloside I
+CH$NAME: (2S,3R,4S,5R)-2-(2-(6-chlorododecyl)-5-(6,6-dichlorotridecyl)-3-hydroxyphenoxy)tetrahydro-2H-pyran-3,4,5-triol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C36H61Cl3O6
+CH$EXACT_MASS: 694.3533727
+CH$SMILES: CCCCCCCC(CCCCCC1=CC(=C(C(=C1)O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)CCCCCC(CCCCCC)Cl)O)(Cl)Cl
+CH$IUPAC: InChI=1S/C36H61Cl3O6/c1-3-5-7-9-16-22-36(38,39)23-17-11-12-18-27-24-30(40)29(21-15-10-14-20-28(37)19-13-8-6-4-2)32(25-27)45-35-34(43)33(42)31(41)26-44-35/h24-25,28,31,33-35,40-43H,3-23,26H2,1-2H3/t28?,31-,33+,34-,35+/m1/s1
+CH$LINK: PUBCHEM CID:132582914
+CH$LINK: INCHIKEY LWFZKXMCJDHBNJ-SLKDEOFASA-N
+CH$LINK: CHEMSPIDER 58197379
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 72-730
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 16.951 min
+MS$FOCUSED_ION: BASE_PEAK 563.3178
+MS$FOCUSED_ION: PRECURSOR_M/Z 695.3606
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-004i-4214491000-126c253cb2da8180142c
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  73.0283 C3H5O2+ 1 73.0284 -0.85
+  85.0283 C4H5O2+ 1 85.0284 -1.72
+  95.0854 C7H11+ 1 95.0855 -1.59
+  97.0284 C5H5O2+ 1 97.0284 -0.39
+  109.1011 C8H13+ 1 109.1012 -0.93
+  115.0388 C5H7O3+ 1 115.039 -1.5
+  133.0491 C5H9O4+ 1 133.0495 -3.1
+  137.0595 C8H9O2+ 1 137.0597 -1.57
+  161.0593 C10H9O2+ 1 161.0597 -2.46
+  163.0749 C10H11O2+ 1 163.0754 -2.89
+  177.0906 C11H13O2+ 1 177.091 -2.55
+  191.1062 C12H15O2+ 1 191.1067 -2.57
+  195.0198 C10H8ClO2+ 1 195.0207 -4.54
+  233.08 C13H13O4+ 1 233.0808 -3.66
+  273.111 C10H22ClO6+ 2 273.1099 3.75
+  301.2154 C20H29O2+ 2 301.2162 -2.52
+  303.2315 C20H31O2+ 1 303.2319 -1.25
+  327.2306 C22H31O2+ 2 327.2319 -3.82
+  337.1923 C20H30ClO2+ 2 337.1929 -1.61
+  339.2067 C14H37Cl2O4+ 1 339.2063 0.95
+  361.1925 C22H30ClO2+ 1 361.1929 -0.96
+  363.2076 C22H32ClO2+ 2 363.2085 -2.69
+  433.2138 C25H34ClO4+ 2 433.214 -0.44
+  491.3644 C31H52ClO2+ 2 491.365 -1.37
+  513.3474 C33H50ClO2+ 3 513.3494 -3.93
+  515.3661 C33H52ClO2+ 1 515.365 1.98
+  527.3411 C31H53Cl2O2+ 2 527.3417 -1.1
+  533.3762 C33H54ClO3+ 1 533.3756 1.09
+  623.3622 C36H57Cl2O4+ 2 623.3628 -0.96
+  659.3839 C36H61Cl2O6+ 1 659.384 -0.05
+PK$NUM_PEAK: 30
+PK$PEAK: m/z int. rel.int.
+  73.0283 833611.7 431
+  85.0283 25925.1 13
+  95.0854 33411.9 17
+  97.0284 86139.9 44
+  109.1011 20030.1 10
+  115.0388 203395.7 105
+  133.0491 32304.5 16
+  137.0595 114596.2 59
+  161.0593 62348.8 32
+  163.0749 45225 23
+  177.0906 84680.2 43
+  191.1062 39617.3 20
+  195.0198 24066.7 12
+  233.08 158572.2 82
+  273.111 78137.9 40
+  301.2154 152528.3 78
+  303.2315 201715.8 104
+  327.2306 40419.1 20
+  337.1923 354307.4 183
+  339.2067 187911.9 97
+  361.1925 88519.8 45
+  363.2076 44297.5 22
+  433.2138 82030.6 42
+  491.3644 942567.2 487
+  513.3474 48235.6 24
+  515.3661 100488.1 52
+  527.3411 1930370.9 999
+  533.3762 42920.3 22
+  623.3622 75096 38
+  659.3839 217386.8 112
+//
diff --git a/Eawag/MSBNK-EAWAG-ED103104.txt b/Eawag/MSBNK-EAWAG-ED103104.txt
new file mode 100644
index 0000000000..c89cd12d91
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED103104.txt
@@ -0,0 +1,129 @@
+ACCESSION: MSBNK-EAWAG-ED103104
+RECORD_TITLE: Bartoloside I; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.6b00351
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1031
+CH$NAME: Bartoloside I
+CH$NAME: (2S,3R,4S,5R)-2-(2-(6-chlorododecyl)-5-(6,6-dichlorotridecyl)-3-hydroxyphenoxy)tetrahydro-2H-pyran-3,4,5-triol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C36H61Cl3O6
+CH$EXACT_MASS: 694.3533727
+CH$SMILES: CCCCCCCC(CCCCCC1=CC(=C(C(=C1)O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)CCCCCC(CCCCCC)Cl)O)(Cl)Cl
+CH$IUPAC: InChI=1S/C36H61Cl3O6/c1-3-5-7-9-16-22-36(38,39)23-17-11-12-18-27-24-30(40)29(21-15-10-14-20-28(37)19-13-8-6-4-2)32(25-27)45-35-34(43)33(42)31(41)26-44-35/h24-25,28,31,33-35,40-43H,3-23,26H2,1-2H3/t28?,31-,33+,34-,35+/m1/s1
+CH$LINK: PUBCHEM CID:132582914
+CH$LINK: INCHIKEY LWFZKXMCJDHBNJ-SLKDEOFASA-N
+CH$LINK: CHEMSPIDER 58197379
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 72-730
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 16.951 min
+MS$FOCUSED_ION: BASE_PEAK 563.3178
+MS$FOCUSED_ION: PRECURSOR_M/Z 695.3606
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0fmu-7928440000-9cf4c87faefb742173d5
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  73.0284 C3H5O2+ 1 73.0284 -0.64
+  81.07 C6H9+ 1 81.0699 1.97
+  83.0855 C6H11+ 1 83.0855 0.03
+  85.0283 C4H5O2+ 1 85.0284 -1.09
+  95.0853 C7H11+ 1 95.0855 -2.47
+  97.0286 C5H5O2+ 1 97.0284 2.44
+  97.1012 C7H13+ 1 97.1012 -0.02
+  109.1013 C8H13+ 1 109.1012 0.96
+  115.0389 C5H7O3+ 1 115.039 -0.44
+  137.0595 C8H9O2+ 1 137.0597 -1.46
+  151.0755 C9H11O2+ 1 151.0754 1.12
+  161.0594 C10H9O2+ 1 161.0597 -2.09
+  163.075 C10H11O2+ 1 163.0754 -2.23
+  163.1478 C12H19+ 1 163.1481 -1.87
+  171.0207 C8H8ClO2+ 1 171.0207 0.08
+  177.0907 C11H13O2+ 1 177.091 -1.69
+  187.0756 C12H11O2+ 1 187.0754 1.07
+  191.1061 C12H15O2+ 1 191.1067 -2.65
+  195.0207 C10H8ClO2+ 1 195.0207 -0.01
+  201.0911 C13H13O2+ 1 201.091 0.35
+  205.1224 C13H17O2+ 1 205.1223 0.25
+  217.1224 C14H17O2+ 1 217.1223 0.43
+  233.08 C13H13O4+ 1 233.0808 -3.66
+  259.0967 C15H15O4+ 1 259.0965 0.83
+  267.0399 C7H17Cl2O6+ 1 267.0397 0.96
+  273.1106 C10H22ClO6+ 1 273.1099 2.41
+  301.2152 C20H29O2+ 2 301.2162 -3.43
+  303.2309 C20H31O2+ 2 303.2319 -3.26
+  325.2163 C22H29O2+ 1 325.2162 0.14
+  327.2309 C22H31O2+ 2 327.2319 -2.88
+  337.1918 C20H30ClO2+ 2 337.1929 -3.15
+  339.2073 C14H37Cl2O4+ 2 339.2063 2.75
+  361.1922 C22H30ClO2+ 2 361.1929 -1.89
+  363.2089 C22H32ClO2+ 1 363.2085 0.92
+  397.236 C19H38ClO6+ 2 397.2351 2.19
+  399.2536 C25H35O4+ 1 399.253 1.53
+  433.2133 C25H34ClO4+ 2 433.214 -1.71
+  491.3644 C31H52ClO2+ 2 491.365 -1.31
+  513.3512 C33H50ClO2+ 1 513.3494 3.44
+  527.3414 C31H53Cl2O2+ 2 527.3417 -0.53
+  533.3775 C33H54ClO3+ 1 533.3756 3.61
+  587.386 C36H56ClO4+ 2 587.3862 -0.34
+  605.3518 C30H60Cl3O5+ 2 605.3501 2.83
+PK$NUM_PEAK: 43
+PK$PEAK: m/z int. rel.int.
+  73.0284 892195.1 999
+  81.07 39575.4 44
+  83.0855 18488.1 20
+  85.0283 55255.9 61
+  95.0853 87735 98
+  97.0286 54817.3 61
+  97.1012 23962.3 26
+  109.1013 60941.3 68
+  115.0389 165434.3 185
+  137.0595 429951.9 481
+  151.0755 20225 22
+  161.0594 152668.1 170
+  163.075 148306.2 166
+  163.1478 19929.8 22
+  171.0207 40356.2 45
+  177.0907 280055.7 313
+  187.0756 23785.8 26
+  191.1061 109429.1 122
+  195.0207 48398.8 54
+  201.0911 48467.7 54
+  205.1224 35114 39
+  217.1224 39185.2 43
+  233.08 225892.1 252
+  259.0967 35699.3 39
+  267.0399 23990 26
+  273.1106 85430.1 95
+  301.2152 220807.2 247
+  303.2309 330144.6 369
+  325.2163 53999.3 60
+  327.2309 62833.4 70
+  337.1918 385992.9 432
+  339.2073 147534.4 165
+  361.1922 61607.7 68
+  363.2089 37049.6 41
+  397.236 40344.9 45
+  399.2536 26260.6 29
+  433.2133 35603.3 39
+  491.3644 763448.7 854
+  513.3512 38542.7 43
+  527.3414 594904.2 666
+  533.3775 45796.7 51
+  587.386 32289.2 36
+  605.3518 65919.4 73
+//
diff --git a/Eawag/MSBNK-EAWAG-ED103105.txt b/Eawag/MSBNK-EAWAG-ED103105.txt
new file mode 100644
index 0000000000..a4482c2517
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED103105.txt
@@ -0,0 +1,129 @@
+ACCESSION: MSBNK-EAWAG-ED103105
+RECORD_TITLE: Bartoloside I; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.6b00351
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1031
+CH$NAME: Bartoloside I
+CH$NAME: (2S,3R,4S,5R)-2-(2-(6-chlorododecyl)-5-(6,6-dichlorotridecyl)-3-hydroxyphenoxy)tetrahydro-2H-pyran-3,4,5-triol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C36H61Cl3O6
+CH$EXACT_MASS: 694.3533727
+CH$SMILES: CCCCCCCC(CCCCCC1=CC(=C(C(=C1)O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)CCCCCC(CCCCCC)Cl)O)(Cl)Cl
+CH$IUPAC: InChI=1S/C36H61Cl3O6/c1-3-5-7-9-16-22-36(38,39)23-17-11-12-18-27-24-30(40)29(21-15-10-14-20-28(37)19-13-8-6-4-2)32(25-27)45-35-34(43)33(42)31(41)26-44-35/h24-25,28,31,33-35,40-43H,3-23,26H2,1-2H3/t28?,31-,33+,34-,35+/m1/s1
+CH$LINK: PUBCHEM CID:132582914
+CH$LINK: INCHIKEY LWFZKXMCJDHBNJ-SLKDEOFASA-N
+CH$LINK: CHEMSPIDER 58197379
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 72-730
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 16.951 min
+MS$FOCUSED_ION: BASE_PEAK 563.3178
+MS$FOCUSED_ION: PRECURSOR_M/Z 695.3606
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-01w0-4910000000-8adc96c44c797dad0a3a
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  73.0283 C3H5O2+ 1 73.0284 -1.16
+  81.0336 C5H5O+ 1 81.0335 1.7
+  81.0699 C6H9+ 1 81.0699 -0.01
+  83.0855 C6H11+ 1 83.0855 -0.8
+  85.0286 C4H5O2+ 1 85.0284 1.78
+  87.0442 C4H7O2+ 1 87.0441 1.33
+  93.0697 C7H9+ 1 93.0699 -2.33
+  95.0854 C7H11+ 1 95.0855 -1.19
+  97.0282 C5H5O2+ 1 97.0284 -2.36
+  97.1008 C7H13+ 1 97.1012 -3.48
+  107.0857 C8H11+ 1 107.0855 1.71
+  109.1011 C8H13+ 1 109.1012 -1
+  115.0388 C5H7O3+ 1 115.039 -1.9
+  123.0438 C7H7O2+ 1 123.0441 -2.05
+  123.1168 C9H15+ 1 123.1168 -0.15
+  135.0436 C8H7O2+ 1 135.0441 -3.64
+  137.0595 C8H9O2+ 1 137.0597 -1.8
+  147.0436 C9H7O2+ 1 147.0441 -2.84
+  149.0593 C9H9O2+ 1 149.0597 -2.59
+  151.0752 C9H11O2+ 1 151.0754 -1
+  161.0594 C10H9O2+ 1 161.0597 -1.8
+  163.075 C10H11O2+ 1 163.0754 -2.23
+  171.0204 C8H8ClO2+ 1 171.0207 -1.79
+  173.0955 C12H13O+ 1 173.0961 -3.38
+  175.0749 C11H11O2+ 1 175.0754 -2.81
+  177.0906 C11H13O2+ 1 177.091 -2.46
+  179.0703 C10H11O3+ 1 179.0703 0.05
+  187.0754 C12H11O2+ 1 187.0754 0.18
+  189.0913 C12H13O2+ 1 189.091 1.81
+  191.1061 C12H15O2+ 1 191.1067 -2.73
+  195.0208 C10H8ClO2+ 1 195.0207 0.31
+  201.0908 C13H13O2+ 1 201.091 -0.79
+  205.1213 C13H17O2+ 1 205.1223 -4.8
+  215.0695 C13H11O3+ 1 215.0703 -3.44
+  215.1068 C14H15O2+ 1 215.1067 0.49
+  217.1222 C14H17O2+ 1 217.1223 -0.56
+  233.0801 C13H13O4+ 1 233.0808 -3.27
+  301.2159 C20H29O2+ 1 301.2162 -0.9
+  303.2314 C20H31O2+ 1 303.2319 -1.55
+  325.2171 C22H29O2+ 1 325.2162 2.86
+  327.2313 C22H31O2+ 1 327.2319 -1.67
+  337.192 C20H30ClO2+ 2 337.1929 -2.61
+  491.3656 C31H52ClO2+ 1 491.365 1.12
+PK$NUM_PEAK: 43
+PK$PEAK: m/z int. rel.int.
+  73.0283 896602.9 814
+  81.0336 25938.7 23
+  81.0699 110192.5 100
+  83.0855 50316.4 45
+  85.0286 63934.3 58
+  87.0442 32469 29
+  93.0697 14575.5 13
+  95.0854 173519.2 157
+  97.0282 65579.2 59
+  97.1008 59361.2 53
+  107.0857 18825.5 17
+  109.1011 168194.5 152
+  115.0388 72466.1 65
+  123.0438 84673.4 76
+  123.1168 37480.6 34
+  135.0436 19806.1 17
+  137.0595 1099854.1 999
+  147.0436 26057 23
+  149.0593 47000.4 42
+  151.0752 60441.7 54
+  161.0594 290372.1 263
+  163.075 334977 304
+  171.0204 68206.4 61
+  173.0955 20377.2 18
+  175.0749 81446.2 73
+  177.0906 396507.7 360
+  179.0703 39758.8 36
+  187.0754 49104.4 44
+  189.0913 52729.5 47
+  191.1061 131667.5 119
+  195.0208 45514 41
+  201.0908 48450.8 44
+  205.1213 29215.5 26
+  215.0695 12572.1 11
+  215.1068 35450.3 32
+  217.1222 52120.1 47
+  233.0801 214757.7 195
+  301.2159 93185.5 84
+  303.2314 93733.4 85
+  325.2171 21592.1 19
+  327.2313 23339.2 21
+  337.192 44133.6 40
+  491.3656 72122.5 65
+//
diff --git a/Eawag/MSBNK-EAWAG-ED103106.txt b/Eawag/MSBNK-EAWAG-ED103106.txt
new file mode 100644
index 0000000000..2efa74a107
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED103106.txt
@@ -0,0 +1,123 @@
+ACCESSION: MSBNK-EAWAG-ED103106
+RECORD_TITLE: Bartoloside I; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.6b00351
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1031
+CH$NAME: Bartoloside I
+CH$NAME: (2S,3R,4S,5R)-2-(2-(6-chlorododecyl)-5-(6,6-dichlorotridecyl)-3-hydroxyphenoxy)tetrahydro-2H-pyran-3,4,5-triol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C36H61Cl3O6
+CH$EXACT_MASS: 694.3533727
+CH$SMILES: CCCCCCCC(CCCCCC1=CC(=C(C(=C1)O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)CCCCCC(CCCCCC)Cl)O)(Cl)Cl
+CH$IUPAC: InChI=1S/C36H61Cl3O6/c1-3-5-7-9-16-22-36(38,39)23-17-11-12-18-27-24-30(40)29(21-15-10-14-20-28(37)19-13-8-6-4-2)32(25-27)45-35-34(43)33(42)31(41)26-44-35/h24-25,28,31,33-35,40-43H,3-23,26H2,1-2H3/t28?,31-,33+,34-,35+/m1/s1
+CH$LINK: PUBCHEM CID:132582914
+CH$LINK: INCHIKEY LWFZKXMCJDHBNJ-SLKDEOFASA-N
+CH$LINK: CHEMSPIDER 58197379
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 72-730
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 16.951 min
+MS$FOCUSED_ION: BASE_PEAK 563.3178
+MS$FOCUSED_ION: PRECURSOR_M/Z 695.3606
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0079-4900000000-37a4d832ac7c0c949a08
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  73.0284 C3H5O2+ 1 73.0284 -0.64
+  79.0543 C6H7+ 1 79.0542 1.4
+  81.0698 C6H9+ 1 81.0699 -0.85
+  83.0852 C6H11+ 1 83.0855 -3.46
+  85.0284 C4H5O2+ 1 85.0284 -0.29
+  87.044 C4H7O2+ 1 87.0441 -0.77
+  93.0698 C7H9+ 1 93.0699 -0.85
+  95.0854 C7H11+ 1 95.0855 -1.03
+  97.0286 C5H5O2+ 1 97.0284 1.81
+  97.1012 C7H13+ 1 97.1012 0.22
+  107.0855 C8H11+ 1 107.0855 -0.57
+  109.101 C8H13+ 1 109.1012 -1.21
+  115.0393 C5H7O3+ 1 115.039 2.74
+  121.1008 C9H13+ 1 121.1012 -3.46
+  123.0438 C7H7O2+ 1 123.0441 -1.99
+  123.1165 C9H15+ 1 123.1168 -2.25
+  135.0441 C8H7O2+ 1 135.0441 -0.02
+  135.0802 C9H11O+ 1 135.0804 -1.44
+  137.0595 C8H9O2+ 1 137.0597 -1.8
+  147.0438 C9H7O2+ 1 147.0441 -1.49
+  149.0594 C9H9O2+ 1 149.0597 -2.07
+  151.0752 C9H11O2+ 1 151.0754 -0.8
+  159.0439 C10H7O2+ 1 159.0441 -0.7
+  159.0802 C11H11O+ 1 159.0804 -1.42
+  161.0594 C10H9O2+ 1 161.0597 -1.71
+  163.0751 C10H11O2+ 1 163.0754 -1.58
+  171.0205 C8H8ClO2+ 1 171.0207 -1.16
+  173.0961 C12H13O+ 1 173.0961 -0.03
+  174.0675 C11H10O2+ 1 174.0675 0.09
+  175.075 C11H11O2+ 1 175.0754 -1.76
+  177.0907 C11H13O2+ 1 177.091 -1.69
+  179.07 C10H11O3+ 1 179.0703 -1.57
+  187.0751 C12H11O2+ 1 187.0754 -1.45
+  189.091 C12H13O2+ 1 189.091 -0.29
+  191.1062 C12H15O2+ 1 191.1067 -2.17
+  195.0207 C10H8ClO2+ 1 195.0207 -0.32
+  203.1065 C13H15O2+ 1 203.1067 -0.98
+  215.0699 C13H11O3+ 1 215.0703 -1.88
+  215.1059 C14H15O2+ 1 215.1067 -3.48
+  233.0799 C13H13O4+ 1 233.0808 -3.99
+PK$NUM_PEAK: 40
+PK$PEAK: m/z int. rel.int.
+  73.0284 815581.4 777
+  79.0543 26756.9 25
+  81.0698 171750.1 163
+  83.0852 76400.6 72
+  85.0284 71638.9 68
+  87.044 20202.3 19
+  93.0698 35620.8 33
+  95.0854 206506.4 196
+  97.0286 46000.7 43
+  97.1012 36111.1 34
+  107.0855 19621.4 18
+  109.101 151937.1 144
+  115.0393 33655.4 32
+  121.1008 17983.6 17
+  123.0438 102650.8 97
+  123.1165 19296.9 18
+  135.0441 39946.3 38
+  135.0802 18946.7 18
+  137.0595 1047935.9 999
+  147.0438 24388.4 23
+  149.0594 33529.4 31
+  151.0752 69916.5 66
+  159.0439 21152 20
+  159.0802 16429 15
+  161.0594 256508.3 244
+  163.0751 256993.2 244
+  171.0205 38347.4 36
+  173.0961 18383.9 17
+  174.0675 15442.8 14
+  175.075 114962 109
+  177.0907 194769.5 185
+  179.07 40464.9 38
+  187.0751 50401.7 48
+  189.091 46130.2 43
+  191.1062 69446.4 66
+  195.0207 35557.7 33
+  203.1065 27079.1 25
+  215.0699 28415.3 27
+  215.1059 22491.5 21
+  233.0799 115078.1 109
+//
diff --git a/Eawag/MSBNK-EAWAG-ED103107.txt b/Eawag/MSBNK-EAWAG-ED103107.txt
new file mode 100644
index 0000000000..8153312be7
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED103107.txt
@@ -0,0 +1,117 @@
+ACCESSION: MSBNK-EAWAG-ED103107
+RECORD_TITLE: Bartoloside I; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.6b00351
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1031
+CH$NAME: Bartoloside I
+CH$NAME: (2S,3R,4S,5R)-2-(2-(6-chlorododecyl)-5-(6,6-dichlorotridecyl)-3-hydroxyphenoxy)tetrahydro-2H-pyran-3,4,5-triol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C36H61Cl3O6
+CH$EXACT_MASS: 694.3533727
+CH$SMILES: CCCCCCCC(CCCCCC1=CC(=C(C(=C1)O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)CCCCCC(CCCCCC)Cl)O)(Cl)Cl
+CH$IUPAC: InChI=1S/C36H61Cl3O6/c1-3-5-7-9-16-22-36(38,39)23-17-11-12-18-27-24-30(40)29(21-15-10-14-20-28(37)19-13-8-6-4-2)32(25-27)45-35-34(43)33(42)31(41)26-44-35/h24-25,28,31,33-35,40-43H,3-23,26H2,1-2H3/t28?,31-,33+,34-,35+/m1/s1
+CH$LINK: PUBCHEM CID:132582914
+CH$LINK: INCHIKEY LWFZKXMCJDHBNJ-SLKDEOFASA-N
+CH$LINK: CHEMSPIDER 58197379
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 72-730
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 16.951 min
+MS$FOCUSED_ION: BASE_PEAK 563.3178
+MS$FOCUSED_ION: PRECURSOR_M/Z 695.3606
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-022i-5900000000-4bf13cd18c890dffba78
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  73.0284 C3H5O2+ 1 73.0284 -0.43
+  79.054 C6H7+ 1 79.0542 -3.04
+  81.0698 C6H9+ 1 81.0699 -1.04
+  83.0126 C4H3O2+ 1 83.0128 -2.34
+  83.0855 C6H11+ 1 83.0855 -0.71
+  85.0283 C4H5O2+ 1 85.0284 -0.73
+  91.0542 C7H7+ 1 91.0542 -0.26
+  93.0699 C7H9+ 1 93.0699 0.71
+  95.0854 C7H11+ 1 95.0855 -0.87
+  97.0284 C5H5O2+ 1 97.0284 -0.31
+  97.1014 C7H13+ 1 97.1012 2.1
+  107.0858 C8H11+ 1 107.0855 2.28
+  109.101 C8H13+ 1 109.1012 -1.77
+  121.0651 C8H9O+ 1 121.0648 2.54
+  121.1009 C9H13+ 1 121.1012 -2.07
+  123.0439 C7H7O2+ 1 123.0441 -1.3
+  135.0439 C8H7O2+ 1 135.0441 -1.27
+  135.0803 C9H11O+ 1 135.0804 -0.76
+  137.0595 C8H9O2+ 1 137.0597 -1.8
+  147.0441 C9H7O2+ 1 147.0441 0.06
+  147.08 C10H11O+ 1 147.0804 -3.11
+  149.0599 C9H9O2+ 1 149.0597 1.1
+  151.0753 C9H11O2+ 1 151.0754 -0.29
+  159.0803 C11H11O+ 1 159.0804 -0.75
+  161.0593 C10H9O2+ 1 161.0597 -2.65
+  163.0751 C10H11O2+ 1 163.0754 -1.86
+  171.0205 C8H8ClO2+ 1 171.0207 -1.34
+  174.0669 C11H10O2+ 1 174.0675 -3.42
+  175.0748 C11H11O2+ 1 175.0754 -2.89
+  177.0909 C11H13O2+ 1 177.091 -0.57
+  179.0704 C10H11O3+ 1 179.0703 0.47
+  187.0753 C12H11O2+ 1 187.0754 -0.48
+  191.1065 C12H15O2+ 1 191.1067 -0.66
+  195.0202 C10H8ClO2+ 1 195.0207 -2.59
+  203.0698 C12H11O3+ 1 203.0703 -2.21
+  203.1067 C13H15O2+ 1 203.1067 0.08
+  233.0803 C13H13O4+ 1 233.0808 -2.42
+PK$NUM_PEAK: 37
+PK$PEAK: m/z int. rel.int.
+  73.0284 678715.2 882
+  79.054 58943.5 76
+  81.0698 211912.6 275
+  83.0126 10588.5 13
+  83.0855 42242.7 54
+  85.0283 80033 104
+  91.0542 31627.6 41
+  93.0699 40885.7 53
+  95.0854 161406.2 209
+  97.0284 31834.1 41
+  97.1014 15829 20
+  107.0858 26163.1 34
+  109.101 103180.6 134
+  121.0651 21593 28
+  121.1009 12054.2 15
+  123.0439 114135.9 148
+  135.0439 42429.7 55
+  135.0803 17995.7 23
+  137.0595 768427.9 999
+  147.0441 29383.7 38
+  147.08 11685.7 15
+  149.0599 46909.8 60
+  151.0753 64963.4 84
+  159.0803 19440.5 25
+  161.0593 230136.6 299
+  163.0751 193606 251
+  171.0205 41313.8 53
+  174.0669 28179.3 36
+  175.0748 126513 164
+  177.0909 123496.4 160
+  179.0704 33991.8 44
+  187.0753 50213.9 65
+  191.1065 41398.1 53
+  195.0202 34621.4 45
+  203.0698 25480.2 33
+  203.1067 15076 19
+  233.0803 51045.9 66
+//
diff --git a/Eawag/MSBNK-EAWAG-ED103108.txt b/Eawag/MSBNK-EAWAG-ED103108.txt
new file mode 100644
index 0000000000..dc631432ce
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED103108.txt
@@ -0,0 +1,107 @@
+ACCESSION: MSBNK-EAWAG-ED103108
+RECORD_TITLE: Bartoloside I; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.6b00351
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1031
+CH$NAME: Bartoloside I
+CH$NAME: (2S,3R,4S,5R)-2-(2-(6-chlorododecyl)-5-(6,6-dichlorotridecyl)-3-hydroxyphenoxy)tetrahydro-2H-pyran-3,4,5-triol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C36H61Cl3O6
+CH$EXACT_MASS: 694.3533727
+CH$SMILES: CCCCCCCC(CCCCCC1=CC(=C(C(=C1)O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)CCCCCC(CCCCCC)Cl)O)(Cl)Cl
+CH$IUPAC: InChI=1S/C36H61Cl3O6/c1-3-5-7-9-16-22-36(38,39)23-17-11-12-18-27-24-30(40)29(21-15-10-14-20-28(37)19-13-8-6-4-2)32(25-27)45-35-34(43)33(42)31(41)26-44-35/h24-25,28,31,33-35,40-43H,3-23,26H2,1-2H3/t28?,31-,33+,34-,35+/m1/s1
+CH$LINK: PUBCHEM CID:132582914
+CH$LINK: INCHIKEY LWFZKXMCJDHBNJ-SLKDEOFASA-N
+CH$LINK: CHEMSPIDER 58197379
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 72-730
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 16.951 min
+MS$FOCUSED_ION: BASE_PEAK 563.3178
+MS$FOCUSED_ION: PRECURSOR_M/Z 695.3606
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00dr-6900000000-a5a5676775d17723ffa4
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  73.0283 C3H5O2+ 1 73.0284 -0.85
+  79.0541 C6H7+ 1 79.0542 -1.01
+  81.0698 C6H9+ 1 81.0699 -0.57
+  83.0128 C4H3O2+ 1 83.0128 1.06
+  83.0855 C6H11+ 1 83.0855 -0.16
+  85.0285 C4H5O2+ 1 85.0284 0.97
+  91.0543 C7H7+ 1 91.0542 0.49
+  93.0702 C7H9+ 1 93.0699 3.25
+  95.049 C6H7O+ 1 95.0491 -1.26
+  95.0856 C7H11+ 1 95.0855 0.25
+  105.0698 C8H9+ 1 105.0699 -1.17
+  109.0648 C7H9O+ 1 109.0648 -0.29
+  109.1012 C8H13+ 1 109.1012 -0.09
+  121.0646 C8H9O+ 1 121.0648 -1.43
+  123.0437 C7H7O2+ 1 123.0441 -3.23
+  135.0439 C8H7O2+ 1 135.0441 -1.27
+  135.0803 C9H11O+ 1 135.0804 -1.22
+  137.0595 C8H9O2+ 1 137.0597 -1.8
+  147.0803 C10H11O+ 1 147.0804 -1.24
+  149.0593 C9H9O2+ 1 149.0597 -2.48
+  151.0753 C9H11O2+ 1 151.0754 -0.29
+  159.0438 C10H7O2+ 1 159.0441 -1.37
+  159.0803 C11H11O+ 1 159.0804 -0.94
+  161.0592 C10H9O2+ 1 161.0597 -3.22
+  163.0747 C10H11O2+ 1 163.0754 -4.2
+  173.0597 C11H9O2+ 1 173.0597 -0.07
+  174.0673 C11H10O2+ 1 174.0675 -1.14
+  175.0752 C11H11O2+ 1 175.0754 -1.06
+  177.0907 C11H13O2+ 1 177.091 -1.69
+  187.0751 C12H11O2+ 1 187.0754 -1.62
+  191.1065 C12H15O2+ 1 191.1067 -0.82
+  203.0707 C12H11O3+ 1 203.0703 2.07
+PK$NUM_PEAK: 32
+PK$PEAK: m/z int. rel.int.
+  73.0283 482578.3 992
+  79.0541 83720.2 172
+  81.0698 189430.4 389
+  83.0128 22196.6 45
+  83.0855 26249.1 54
+  85.0285 52100.5 107
+  91.0543 51117.7 105
+  93.0702 36905.5 75
+  95.049 20750.5 42
+  95.0856 96650.3 198
+  105.0698 28970.3 59
+  109.0648 50397.5 103
+  109.1012 49610.6 102
+  121.0646 22433.4 46
+  123.0437 98753.1 203
+  135.0439 37057.4 76
+  135.0803 26192.3 53
+  137.0595 485528.9 999
+  147.0803 14409.1 29
+  149.0593 36258.8 74
+  151.0753 58164.9 119
+  159.0438 20027.3 41
+  159.0803 17597.4 36
+  161.0592 148791.4 306
+  163.0747 94465 194
+  173.0597 22144.6 45
+  174.0673 40984.1 84
+  175.0752 87803.8 180
+  177.0907 35756.8 73
+  187.0751 52251.6 107
+  191.1065 16937.7 34
+  203.0707 12405 25
+//
diff --git a/Eawag/MSBNK-EAWAG-ED103109.txt b/Eawag/MSBNK-EAWAG-ED103109.txt
new file mode 100644
index 0000000000..00d43951c0
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED103109.txt
@@ -0,0 +1,105 @@
+ACCESSION: MSBNK-EAWAG-ED103109
+RECORD_TITLE: Bartoloside I; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.6b00351
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1031
+CH$NAME: Bartoloside I
+CH$NAME: (2S,3R,4S,5R)-2-(2-(6-chlorododecyl)-5-(6,6-dichlorotridecyl)-3-hydroxyphenoxy)tetrahydro-2H-pyran-3,4,5-triol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C36H61Cl3O6
+CH$EXACT_MASS: 694.3533727
+CH$SMILES: CCCCCCCC(CCCCCC1=CC(=C(C(=C1)O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)CCCCCC(CCCCCC)Cl)O)(Cl)Cl
+CH$IUPAC: InChI=1S/C36H61Cl3O6/c1-3-5-7-9-16-22-36(38,39)23-17-11-12-18-27-24-30(40)29(21-15-10-14-20-28(37)19-13-8-6-4-2)32(25-27)45-35-34(43)33(42)31(41)26-44-35/h24-25,28,31,33-35,40-43H,3-23,26H2,1-2H3/t28?,31-,33+,34-,35+/m1/s1
+CH$LINK: PUBCHEM CID:132582914
+CH$LINK: INCHIKEY LWFZKXMCJDHBNJ-SLKDEOFASA-N
+CH$LINK: CHEMSPIDER 58197379
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 72-730
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 16.951 min
+MS$FOCUSED_ION: BASE_PEAK 563.3178
+MS$FOCUSED_ION: PRECURSOR_M/Z 695.3606
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00dr-7900000000-de8fd906d8a6586af3c5
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  73.0284 C3H5O2+ 1 73.0284 -0.53
+  79.0541 C6H7+ 1 79.0542 -1.3
+  81.0699 C6H9+ 1 81.0699 -0.1
+  83.0128 C4H3O2+ 1 83.0128 0.05
+  85.0284 C4H5O2+ 1 85.0284 -0.55
+  91.054 C7H7+ 1 91.0542 -2.19
+  93.07 C7H9+ 1 93.0699 1.44
+  95.0492 C6H7O+ 1 95.0491 0.66
+  95.0855 C7H11+ 1 95.0855 -0.15
+  105.0699 C8H9+ 1 105.0699 0.5
+  107.0857 C8H11+ 1 107.0855 1.42
+  109.0647 C7H9O+ 1 109.0648 -0.85
+  109.1012 C8H13+ 1 109.1012 -0.02
+  115.0542 C9H7+ 1 115.0542 -0.35
+  121.065 C8H9O+ 1 121.0648 1.84
+  123.0439 C7H7O2+ 1 123.0441 -1.55
+  129.07 C10H9+ 1 129.0699 1.1
+  133.0647 C9H9O+ 1 133.0648 -0.9
+  135.0443 C8H7O2+ 1 135.0441 2.12
+  135.0804 C9H11O+ 1 135.0804 -0.43
+  137.0595 C8H9O2+ 1 137.0597 -1.46
+  147.0439 C9H7O2+ 1 147.0441 -1.29
+  149.0596 C9H9O2+ 1 149.0597 -0.44
+  151.0752 C9H11O2+ 1 151.0754 -0.9
+  159.0804 C11H11O+ 1 159.0804 0.02
+  160.0514 C10H8O2+ 1 160.0519 -3.25
+  161.0595 C10H9O2+ 1 161.0597 -1.23
+  163.0751 C10H11O2+ 1 163.0754 -1.39
+  174.0669 C11H10O2+ 1 174.0675 -3.42
+  175.075 C11H11O2+ 1 175.0754 -2.02
+  187.0745 C12H11O2+ 1 187.0754 -4.55
+PK$NUM_PEAK: 31
+PK$PEAK: m/z int. rel.int.
+  73.0284 305728 875
+  79.0541 99307.4 284
+  81.0699 183369.1 525
+  83.0128 22621.8 64
+  85.0284 45965.4 131
+  91.054 92594.5 265
+  93.07 31845.2 91
+  95.0492 41542.4 118
+  95.0855 72808.7 208
+  105.0699 44313.3 126
+  107.0857 13087.4 37
+  109.0647 61706.1 176
+  109.1012 26350.4 75
+  115.0542 17972.7 51
+  121.065 36393.6 104
+  123.0439 70307.9 201
+  129.07 14491 41
+  133.0647 20569.6 58
+  135.0443 31332.6 89
+  135.0804 30515.8 87
+  137.0595 348856.8 999
+  147.0439 16981.1 48
+  149.0596 29540.2 84
+  151.0752 36463.4 104
+  159.0804 18405.7 52
+  160.0514 20387.9 58
+  161.0595 115014.4 329
+  163.0751 39185.5 112
+  174.0669 55109.5 157
+  175.075 52618.9 150
+  187.0745 22119.5 63
+//
diff --git a/Eawag/MSBNK-EAWAG-ED103151.txt b/Eawag/MSBNK-EAWAG-ED103151.txt
new file mode 100644
index 0000000000..7e775dd290
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED103151.txt
@@ -0,0 +1,53 @@
+ACCESSION: MSBNK-EAWAG-ED103151
+RECORD_TITLE: Bartoloside I; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.6b00351
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1031
+CH$NAME: Bartoloside I
+CH$NAME: (2S,3R,4S,5R)-2-(2-(6-chlorododecyl)-5-(6,6-dichlorotridecyl)-3-hydroxyphenoxy)tetrahydro-2H-pyran-3,4,5-triol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C36H61Cl3O6
+CH$EXACT_MASS: 694.3533727
+CH$SMILES: CCCCCCCC(CCCCCC1=CC(=C(C(=C1)O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)CCCCCC(CCCCCC)Cl)O)(Cl)Cl
+CH$IUPAC: InChI=1S/C36H61Cl3O6/c1-3-5-7-9-16-22-36(38,39)23-17-11-12-18-27-24-30(40)29(21-15-10-14-20-28(37)19-13-8-6-4-2)32(25-27)45-35-34(43)33(42)31(41)26-44-35/h24-25,28,31,33-35,40-43H,3-23,26H2,1-2H3/t28?,31-,33+,34-,35+/m1/s1
+CH$LINK: PUBCHEM CID:132582914
+CH$LINK: INCHIKEY LWFZKXMCJDHBNJ-SLKDEOFASA-N
+CH$LINK: CHEMSPIDER 58197379
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 72-728
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 16.964 min
+MS$FOCUSED_ION: BASE_PEAK 739.3521
+MS$FOCUSED_ION: PRECURSOR_M/Z 693.3461
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0006-0000019000-01a74ee206dccfc28974
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  525.3271 C31H51Cl2O2- 2 525.3272 -0.18
+  561.3035 C31H52Cl3O2- 1 561.3038 -0.66
+  621.3929 C36H58ClO6- 1 621.3927 0.22
+  657.3693 C36H59Cl2O6- 1 657.3694 -0.19
+  693.3461 C36H60Cl3O6- 1 693.3461 -0.02
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  525.3271 120610.6 68
+  561.3035 370054.5 211
+  621.3929 26461.3 15
+  657.3693 501658.9 286
+  693.3461 1750044.5 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED103152.txt b/Eawag/MSBNK-EAWAG-ED103152.txt
new file mode 100644
index 0000000000..d9dece8fc3
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED103152.txt
@@ -0,0 +1,53 @@
+ACCESSION: MSBNK-EAWAG-ED103152
+RECORD_TITLE: Bartoloside I; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.6b00351
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1031
+CH$NAME: Bartoloside I
+CH$NAME: (2S,3R,4S,5R)-2-(2-(6-chlorododecyl)-5-(6,6-dichlorotridecyl)-3-hydroxyphenoxy)tetrahydro-2H-pyran-3,4,5-triol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C36H61Cl3O6
+CH$EXACT_MASS: 694.3533727
+CH$SMILES: CCCCCCCC(CCCCCC1=CC(=C(C(=C1)O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)CCCCCC(CCCCCC)Cl)O)(Cl)Cl
+CH$IUPAC: InChI=1S/C36H61Cl3O6/c1-3-5-7-9-16-22-36(38,39)23-17-11-12-18-27-24-30(40)29(21-15-10-14-20-28(37)19-13-8-6-4-2)32(25-27)45-35-34(43)33(42)31(41)26-44-35/h24-25,28,31,33-35,40-43H,3-23,26H2,1-2H3/t28?,31-,33+,34-,35+/m1/s1
+CH$LINK: PUBCHEM CID:132582914
+CH$LINK: INCHIKEY LWFZKXMCJDHBNJ-SLKDEOFASA-N
+CH$LINK: CHEMSPIDER 58197379
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 72-728
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 16.964 min
+MS$FOCUSED_ION: BASE_PEAK 739.3521
+MS$FOCUSED_ION: PRECURSOR_M/Z 693.3461
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03fr-0000092000-e7911e94940b97c91654
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  525.3269 C31H51Cl2O2- 2 525.3272 -0.53
+  561.3032 C31H52Cl3O2- 1 561.3038 -1.09
+  621.3917 C36H58ClO6- 1 621.3927 -1.64
+  657.3694 C36H59Cl2O6- 1 657.3694 0
+  693.3463 C36H60Cl3O6- 1 693.3461 0.25
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  525.3269 281177.4 928
+  561.3032 302634.8 999
+  621.3917 20827 68
+  657.3694 87803 289
+  693.3463 73861.8 243
+//
diff --git a/Eawag/MSBNK-EAWAG-ED103153.txt b/Eawag/MSBNK-EAWAG-ED103153.txt
new file mode 100644
index 0000000000..ddc80645c0
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED103153.txt
@@ -0,0 +1,49 @@
+ACCESSION: MSBNK-EAWAG-ED103153
+RECORD_TITLE: Bartoloside I; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.6b00351
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1031
+CH$NAME: Bartoloside I
+CH$NAME: (2S,3R,4S,5R)-2-(2-(6-chlorododecyl)-5-(6,6-dichlorotridecyl)-3-hydroxyphenoxy)tetrahydro-2H-pyran-3,4,5-triol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C36H61Cl3O6
+CH$EXACT_MASS: 694.3533727
+CH$SMILES: CCCCCCCC(CCCCCC1=CC(=C(C(=C1)O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)CCCCCC(CCCCCC)Cl)O)(Cl)Cl
+CH$IUPAC: InChI=1S/C36H61Cl3O6/c1-3-5-7-9-16-22-36(38,39)23-17-11-12-18-27-24-30(40)29(21-15-10-14-20-28(37)19-13-8-6-4-2)32(25-27)45-35-34(43)33(42)31(41)26-44-35/h24-25,28,31,33-35,40-43H,3-23,26H2,1-2H3/t28?,31-,33+,34-,35+/m1/s1
+CH$LINK: PUBCHEM CID:132582914
+CH$LINK: INCHIKEY LWFZKXMCJDHBNJ-SLKDEOFASA-N
+CH$LINK: CHEMSPIDER 58197379
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 72-728
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 16.964 min
+MS$FOCUSED_ION: BASE_PEAK 739.3521
+MS$FOCUSED_ION: PRECURSOR_M/Z 693.3461
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-01ti-0000390000-c210694b07eb28de5410
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  489.3499 C31H50ClO2- 2 489.3505 -1.2
+  525.3269 C31H51Cl2O2- 2 525.3272 -0.53
+  561.3031 C31H52Cl3O2- 1 561.3038 -1.31
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  489.3499 173501.2 586
+  525.3269 295696.3 999
+  561.3031 152648.9 515
+//
diff --git a/Eawag/MSBNK-EAWAG-ED103154.txt b/Eawag/MSBNK-EAWAG-ED103154.txt
new file mode 100644
index 0000000000..081855af59
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED103154.txt
@@ -0,0 +1,51 @@
+ACCESSION: MSBNK-EAWAG-ED103154
+RECORD_TITLE: Bartoloside I; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.6b00351
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1031
+CH$NAME: Bartoloside I
+CH$NAME: (2S,3R,4S,5R)-2-(2-(6-chlorododecyl)-5-(6,6-dichlorotridecyl)-3-hydroxyphenoxy)tetrahydro-2H-pyran-3,4,5-triol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C36H61Cl3O6
+CH$EXACT_MASS: 694.3533727
+CH$SMILES: CCCCCCCC(CCCCCC1=CC(=C(C(=C1)O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)CCCCCC(CCCCCC)Cl)O)(Cl)Cl
+CH$IUPAC: InChI=1S/C36H61Cl3O6/c1-3-5-7-9-16-22-36(38,39)23-17-11-12-18-27-24-30(40)29(21-15-10-14-20-28(37)19-13-8-6-4-2)32(25-27)45-35-34(43)33(42)31(41)26-44-35/h24-25,28,31,33-35,40-43H,3-23,26H2,1-2H3/t28?,31-,33+,34-,35+/m1/s1
+CH$LINK: PUBCHEM CID:132582914
+CH$LINK: INCHIKEY LWFZKXMCJDHBNJ-SLKDEOFASA-N
+CH$LINK: CHEMSPIDER 58197379
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 72-728
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 16.964 min
+MS$FOCUSED_ION: BASE_PEAK 739.3521
+MS$FOCUSED_ION: PRECURSOR_M/Z 693.3461
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-002r-0000960000-8c8518bb301ab5cc75a2
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  453.3747 C31H49O2- 2 453.3738 1.9
+  489.3504 C31H50ClO2- 2 489.3505 -0.07
+  525.3262 C31H51Cl2O2- 2 525.3272 -1.92
+  561.3032 C31H52Cl3O2- 1 561.3038 -1.09
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  453.3747 44887.2 166
+  489.3504 269997.9 999
+  525.3262 184713.4 683
+  561.3032 28510.5 105
+//
diff --git a/Eawag/MSBNK-EAWAG-ED103155.txt b/Eawag/MSBNK-EAWAG-ED103155.txt
new file mode 100644
index 0000000000..1689efc334
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED103155.txt
@@ -0,0 +1,47 @@
+ACCESSION: MSBNK-EAWAG-ED103155
+RECORD_TITLE: Bartoloside I; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.6b00351
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1031
+CH$NAME: Bartoloside I
+CH$NAME: (2S,3R,4S,5R)-2-(2-(6-chlorododecyl)-5-(6,6-dichlorotridecyl)-3-hydroxyphenoxy)tetrahydro-2H-pyran-3,4,5-triol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C36H61Cl3O6
+CH$EXACT_MASS: 694.3533727
+CH$SMILES: CCCCCCCC(CCCCCC1=CC(=C(C(=C1)O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)CCCCCC(CCCCCC)Cl)O)(Cl)Cl
+CH$IUPAC: InChI=1S/C36H61Cl3O6/c1-3-5-7-9-16-22-36(38,39)23-17-11-12-18-27-24-30(40)29(21-15-10-14-20-28(37)19-13-8-6-4-2)32(25-27)45-35-34(43)33(42)31(41)26-44-35/h24-25,28,31,33-35,40-43H,3-23,26H2,1-2H3/t28?,31-,33+,34-,35+/m1/s1
+CH$LINK: PUBCHEM CID:132582914
+CH$LINK: INCHIKEY LWFZKXMCJDHBNJ-SLKDEOFASA-N
+CH$LINK: CHEMSPIDER 58197379
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 72-728
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 16.964 min
+MS$FOCUSED_ION: BASE_PEAK 739.3521
+MS$FOCUSED_ION: PRECURSOR_M/Z 693.3461
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0f79-0000900000-0003d9350c15d8b7b33d
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  453.3738 C31H49O2- 2 453.3738 0.08
+  489.3499 C31H50ClO2- 2 489.3505 -1.26
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  453.3738 174012 748
+  489.3499 232261.9 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED103156.txt b/Eawag/MSBNK-EAWAG-ED103156.txt
new file mode 100644
index 0000000000..a9eab27664
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED103156.txt
@@ -0,0 +1,47 @@
+ACCESSION: MSBNK-EAWAG-ED103156
+RECORD_TITLE: Bartoloside I; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.6b00351
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1031
+CH$NAME: Bartoloside I
+CH$NAME: (2S,3R,4S,5R)-2-(2-(6-chlorododecyl)-5-(6,6-dichlorotridecyl)-3-hydroxyphenoxy)tetrahydro-2H-pyran-3,4,5-triol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C36H61Cl3O6
+CH$EXACT_MASS: 694.3533727
+CH$SMILES: CCCCCCCC(CCCCCC1=CC(=C(C(=C1)O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)CCCCCC(CCCCCC)Cl)O)(Cl)Cl
+CH$IUPAC: InChI=1S/C36H61Cl3O6/c1-3-5-7-9-16-22-36(38,39)23-17-11-12-18-27-24-30(40)29(21-15-10-14-20-28(37)19-13-8-6-4-2)32(25-27)45-35-34(43)33(42)31(41)26-44-35/h24-25,28,31,33-35,40-43H,3-23,26H2,1-2H3/t28?,31-,33+,34-,35+/m1/s1
+CH$LINK: PUBCHEM CID:132582914
+CH$LINK: INCHIKEY LWFZKXMCJDHBNJ-SLKDEOFASA-N
+CH$LINK: CHEMSPIDER 58197379
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 72-728
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 16.964 min
+MS$FOCUSED_ION: BASE_PEAK 739.3521
+MS$FOCUSED_ION: PRECURSOR_M/Z 693.3461
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0udr-0000900000-47cdff3b54642546d1bc
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  453.3733 C31H49O2- 2 453.3738 -1.06
+  489.35 C31H50ClO2- 2 489.3505 -0.89
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  453.3733 212004.7 999
+  489.35 108750.7 512
+//
diff --git a/Eawag/MSBNK-EAWAG-ED103157.txt b/Eawag/MSBNK-EAWAG-ED103157.txt
new file mode 100644
index 0000000000..3d74d0424e
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED103157.txt
@@ -0,0 +1,47 @@
+ACCESSION: MSBNK-EAWAG-ED103157
+RECORD_TITLE: Bartoloside I; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.6b00351
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1031
+CH$NAME: Bartoloside I
+CH$NAME: (2S,3R,4S,5R)-2-(2-(6-chlorododecyl)-5-(6,6-dichlorotridecyl)-3-hydroxyphenoxy)tetrahydro-2H-pyran-3,4,5-triol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C36H61Cl3O6
+CH$EXACT_MASS: 694.3533727
+CH$SMILES: CCCCCCCC(CCCCCC1=CC(=C(C(=C1)O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)CCCCCC(CCCCCC)Cl)O)(Cl)Cl
+CH$IUPAC: InChI=1S/C36H61Cl3O6/c1-3-5-7-9-16-22-36(38,39)23-17-11-12-18-27-24-30(40)29(21-15-10-14-20-28(37)19-13-8-6-4-2)32(25-27)45-35-34(43)33(42)31(41)26-44-35/h24-25,28,31,33-35,40-43H,3-23,26H2,1-2H3/t28?,31-,33+,34-,35+/m1/s1
+CH$LINK: PUBCHEM CID:132582914
+CH$LINK: INCHIKEY LWFZKXMCJDHBNJ-SLKDEOFASA-N
+CH$LINK: CHEMSPIDER 58197379
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 72-728
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 16.964 min
+MS$FOCUSED_ION: BASE_PEAK 739.3521
+MS$FOCUSED_ION: PRECURSOR_M/Z 693.3461
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0udi-0000900000-b1f11acff0c1827d1c58
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  453.3736 C31H49O2- 2 453.3738 -0.39
+  489.3511 C31H50ClO2- 1 489.3505 1.3
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  453.3736 145536.5 999
+  489.3511 12815.2 87
+//
diff --git a/Eawag/MSBNK-EAWAG-ED107901.txt b/Eawag/MSBNK-EAWAG-ED107901.txt
new file mode 100644
index 0000000000..24e7f9733a
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED107901.txt
@@ -0,0 +1,59 @@
+ACCESSION: MSBNK-EAWAG-ED107901
+RECORD_TITLE: Bartoloside K; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.6b00351
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1079
+CH$NAME: Bartoloside K
+CH$NAME: (2S,3R,4S,5R)-2-(2,5-bis(6-chlorododecyl)-3-hydroxyphenoxy)tetrahydro-2H-pyran-3,4,5-triol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C35H60Cl2O6
+CH$EXACT_MASS: 646.376695
+CH$SMILES: CCCCCCC(CCCCCC1=CC(=C(C(=C1)O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)CCCCCC(CCCCCC)Cl)O)Cl
+CH$IUPAC: InChI=1S/C35H60Cl2O6/c1-3-5-7-12-18-27(36)20-14-9-11-17-26-23-30(38)29(22-16-10-15-21-28(37)19-13-8-6-4-2)32(24-26)43-35-34(41)33(40)31(39)25-42-35/h23-24,27-28,31,33-35,38-41H,3-22,25H2,1-2H3/t27?,28?,31-,33+,34-,35+/m1/s1
+CH$LINK: PUBCHEM CID:132582913
+CH$LINK: INCHIKEY LJLORIMRLLORHA-LNSHLUEESA-N
+CH$LINK: CHEMSPIDER 58197381
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 68-681
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 16.474 min
+MS$FOCUSED_ION: BASE_PEAK 515.3412
+MS$FOCUSED_ION: PRECURSOR_M/Z 647.384
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-014j-0000093000-f0100e28f13e5c007806
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  73.0283 C3H5O2+ 1 73.0284 -0.85
+  115.0387 C5H7O3+ 1 115.039 -2.3
+  435.2292 C25H36ClO4+ 2 435.2297 -1.04
+  515.3408 C30H53Cl2O2+ 1 515.3417 -1.68
+  539.3347 C33H47O6+ 1 539.3367 -3.76
+  575.3857 C35H56ClO4+ 2 575.3862 -0.88
+  593.3517 C35H55Cl2O3+ 1 593.3523 -0.93
+  647.382 C35H61Cl2O6+ 1 647.384 -2.99
+PK$NUM_PEAK: 8
+PK$PEAK: m/z int. rel.int.
+  73.0283 262729.2 65
+  115.0387 117172.4 29
+  435.2292 62139.2 15
+  515.3408 4020893.8 999
+  539.3347 330457.2 82
+  575.3857 471388.7 117
+  593.3517 115231.1 28
+  647.382 2065880.9 513
+//
diff --git a/Eawag/MSBNK-EAWAG-ED107902.txt b/Eawag/MSBNK-EAWAG-ED107902.txt
new file mode 100644
index 0000000000..6bbce143b2
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED107902.txt
@@ -0,0 +1,83 @@
+ACCESSION: MSBNK-EAWAG-ED107902
+RECORD_TITLE: Bartoloside K; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.6b00351
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1079
+CH$NAME: Bartoloside K
+CH$NAME: (2S,3R,4S,5R)-2-(2,5-bis(6-chlorododecyl)-3-hydroxyphenoxy)tetrahydro-2H-pyran-3,4,5-triol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C35H60Cl2O6
+CH$EXACT_MASS: 646.376695
+CH$SMILES: CCCCCCC(CCCCCC1=CC(=C(C(=C1)O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)CCCCCC(CCCCCC)Cl)O)Cl
+CH$IUPAC: InChI=1S/C35H60Cl2O6/c1-3-5-7-12-18-27(36)20-14-9-11-17-26-23-30(38)29(22-16-10-15-21-28(37)19-13-8-6-4-2)32(24-26)43-35-34(41)33(40)31(39)25-42-35/h23-24,27-28,31,33-35,38-41H,3-22,25H2,1-2H3/t27?,28?,31-,33+,34-,35+/m1/s1
+CH$LINK: PUBCHEM CID:132582913
+CH$LINK: INCHIKEY LJLORIMRLLORHA-LNSHLUEESA-N
+CH$LINK: CHEMSPIDER 58197381
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 68-681
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 16.474 min
+MS$FOCUSED_ION: BASE_PEAK 515.3412
+MS$FOCUSED_ION: PRECURSOR_M/Z 647.384
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-014i-1001392000-2ad898a5ebda82221ce8
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  73.0284 C3H5O2+ 1 73.0284 -0.53
+  97.0284 C5H5O2+ 1 97.0284 0.39
+  115.0387 C5H7O3+ 1 115.039 -2.23
+  133.0495 C5H9O4+ 1 133.0495 0
+  267.0408 C13H12ClO4+ 2 267.0419 -3.82
+  273.1122 C16H17O4+ 1 273.1121 0.3
+  289.2156 C19H29O2+ 1 289.2162 -2.24
+  313.2158 C21H29O2+ 1 313.2162 -1.31
+  325.191 C13H35Cl2O4+ 1 325.1907 1.09
+  349.1911 C15H35Cl2O4+ 1 349.1907 1.05
+  385.2371 C24H33O4+ 1 385.2373 -0.66
+  421.2135 C24H34ClO4+ 2 421.214 -1.21
+  435.2284 C25H36ClO4+ 2 435.2297 -2.93
+  443.3869 C30H51O2+ 2 443.3884 -3.36
+  479.3646 C30H52ClO2+ 2 479.365 -0.88
+  515.341 C30H53Cl2O2+ 1 515.3417 -1.33
+  575.3847 C35H56ClO4+ 2 575.3862 -2.47
+  581.3534 C34H55Cl2O3+ 1 581.3523 1.99
+  593.3498 C35H55Cl2O3+ 1 593.3523 -4.22
+  647.3809 C35H61Cl2O6+ 1 647.384 -4.69
+PK$NUM_PEAK: 20
+PK$PEAK: m/z int. rel.int.
+  73.0284 600909.8 222
+  97.0284 28234.1 10
+  115.0387 178297.4 65
+  133.0495 43617.3 16
+  267.0408 34256.2 12
+  273.1122 27455.9 10
+  289.2156 78830.1 29
+  313.2158 36868.9 13
+  325.191 215200.3 79
+  349.1911 79248.4 29
+  385.2371 236869 87
+  421.2135 176319.1 65
+  435.2284 49609.5 18
+  443.3869 104647.6 38
+  479.3646 732223.6 270
+  515.341 2699971.2 999
+  575.3847 192639.8 71
+  581.3534 43907.2 16
+  593.3498 126452.4 46
+  647.3809 777026.8 287
+//
diff --git a/Eawag/MSBNK-EAWAG-ED107903.txt b/Eawag/MSBNK-EAWAG-ED107903.txt
new file mode 100644
index 0000000000..c150212388
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED107903.txt
@@ -0,0 +1,99 @@
+ACCESSION: MSBNK-EAWAG-ED107903
+RECORD_TITLE: Bartoloside K; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.6b00351
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1079
+CH$NAME: Bartoloside K
+CH$NAME: (2S,3R,4S,5R)-2-(2,5-bis(6-chlorododecyl)-3-hydroxyphenoxy)tetrahydro-2H-pyran-3,4,5-triol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C35H60Cl2O6
+CH$EXACT_MASS: 646.376695
+CH$SMILES: CCCCCCC(CCCCCC1=CC(=C(C(=C1)O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)CCCCCC(CCCCCC)Cl)O)Cl
+CH$IUPAC: InChI=1S/C35H60Cl2O6/c1-3-5-7-12-18-27(36)20-14-9-11-17-26-23-30(38)29(22-16-10-15-21-28(37)19-13-8-6-4-2)32(24-26)43-35-34(41)33(40)31(39)25-42-35/h23-24,27-28,31,33-35,38-41H,3-22,25H2,1-2H3/t27?,28?,31-,33+,34-,35+/m1/s1
+CH$LINK: PUBCHEM CID:132582913
+CH$LINK: INCHIKEY LJLORIMRLLORHA-LNSHLUEESA-N
+CH$LINK: CHEMSPIDER 58197381
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 68-681
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 16.474 min
+MS$FOCUSED_ION: BASE_PEAK 515.3412
+MS$FOCUSED_ION: PRECURSOR_M/Z 647.384
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00vi-6348980000-d52aa40c3048bd81f27a
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  69.0334 C4H5O+ 1 69.0335 -1.2
+  73.0284 C3H5O2+ 1 73.0284 -0.43
+  85.0283 C4H5O2+ 1 85.0284 -1.18
+  97.0285 C5H5O2+ 1 97.0284 0.63
+  115.0388 C5H7O3+ 1 115.039 -1.17
+  133.0496 C5H9O4+ 1 133.0495 0.57
+  137.0594 C8H9O2+ 1 137.0597 -1.91
+  161.0596 C10H9O2+ 1 161.0597 -0.76
+  163.075 C10H11O2+ 1 163.0754 -2.32
+  177.0908 C11H13O2+ 1 177.091 -1.34
+  195.0205 C10H8ClO2+ 1 195.0207 -0.94
+  233.0806 C13H13O4+ 1 233.0808 -1.17
+  267.0413 C13H12ClO4+ 1 267.0419 -1.99
+  273.111 C16H17O4+ 2 273.1121 -4.28
+  289.2156 C19H29O2+ 1 289.2162 -2.24
+  303.2312 C20H31O2+ 2 303.2319 -2.26
+  311.2011 C21H27O2+ 1 311.2006 1.88
+  313.2152 C21H29O2+ 2 313.2162 -3.25
+  325.1918 C13H35Cl2O4+ 2 325.1907 3.53
+  339.2078 C20H32ClO2+ 2 339.2085 -2.27
+  349.1919 C15H35Cl2O4+ 2 349.1907 3.59
+  363.2076 C16H37Cl2O4+ 2 363.2063 3.51
+  385.2367 C24H33O4+ 2 385.2373 -1.69
+  443.3874 C30H51O2+ 2 443.3884 -2.19
+  479.3646 C30H52ClO2+ 2 479.365 -0.94
+  503.3652 C32H52ClO2+ 2 503.365 0.41
+  515.3414 C30H53Cl2O2+ 1 515.3417 -0.62
+  521.3778 C32H54ClO3+ 1 521.3756 4.21
+PK$NUM_PEAK: 28
+PK$PEAK: m/z int. rel.int.
+  69.0334 28230.2 23
+  73.0284 893877.8 756
+  85.0283 37881.2 32
+  97.0285 63335.8 53
+  115.0388 204090.4 172
+  133.0496 38786.4 32
+  137.0594 88769.6 75
+  161.0596 50533.6 42
+  163.075 42277.3 35
+  177.0908 72752.9 61
+  195.0205 44429.5 37
+  233.0806 118020.2 99
+  267.0413 55702.9 47
+  273.111 74618.5 63
+  289.2156 454765.4 384
+  303.2312 163827.1 138
+  311.2011 53838.4 45
+  313.2152 78721.3 66
+  325.1918 518575.1 438
+  339.2078 123565.7 104
+  349.1919 113605.1 96
+  363.2076 20875.3 17
+  385.2367 190689.6 161
+  443.3874 365582.1 309
+  479.3646 1031909.6 872
+  503.3652 98181.4 83
+  515.3414 1181008.1 999
+  521.3778 83198.6 70
+//
diff --git a/Eawag/MSBNK-EAWAG-ED107904.txt b/Eawag/MSBNK-EAWAG-ED107904.txt
new file mode 100644
index 0000000000..b35b767762
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED107904.txt
@@ -0,0 +1,99 @@
+ACCESSION: MSBNK-EAWAG-ED107904
+RECORD_TITLE: Bartoloside K; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.6b00351
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1079
+CH$NAME: Bartoloside K
+CH$NAME: (2S,3R,4S,5R)-2-(2,5-bis(6-chlorododecyl)-3-hydroxyphenoxy)tetrahydro-2H-pyran-3,4,5-triol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C35H60Cl2O6
+CH$EXACT_MASS: 646.376695
+CH$SMILES: CCCCCCC(CCCCCC1=CC(=C(C(=C1)O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)CCCCCC(CCCCCC)Cl)O)Cl
+CH$IUPAC: InChI=1S/C35H60Cl2O6/c1-3-5-7-12-18-27(36)20-14-9-11-17-26-23-30(38)29(22-16-10-15-21-28(37)19-13-8-6-4-2)32(24-26)43-35-34(41)33(40)31(39)25-42-35/h23-24,27-28,31,33-35,38-41H,3-22,25H2,1-2H3/t27?,28?,31-,33+,34-,35+/m1/s1
+CH$LINK: PUBCHEM CID:132582913
+CH$LINK: INCHIKEY LJLORIMRLLORHA-LNSHLUEESA-N
+CH$LINK: CHEMSPIDER 58197381
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 68-681
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 16.474 min
+MS$FOCUSED_ION: BASE_PEAK 515.3412
+MS$FOCUSED_ION: PRECURSOR_M/Z 647.384
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-009i-9885510000-021911cdda651f873686
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  69.0336 C4H5O+ 1 69.0335 1.01
+  69.0699 C5H9+ 1 69.0699 0.77
+  73.0284 C3H5O2+ 1 73.0284 -0.32
+  83.0854 C6H11+ 1 83.0855 -1.07
+  85.0286 C4H5O2+ 1 85.0284 1.78
+  97.0282 C5H5O2+ 1 97.0284 -2.59
+  97.1013 C7H13+ 1 97.1012 1.24
+  111.1168 C8H15+ 1 111.1168 -0.5
+  115.0388 C5H7O3+ 1 115.039 -1.9
+  137.0596 C8H9O2+ 1 137.0597 -0.68
+  161.0594 C10H9O2+ 1 161.0597 -1.9
+  163.075 C10H11O2+ 1 163.0754 -1.95
+  171.0202 C8H8ClO2+ 1 171.0207 -3.13
+  177.0908 C11H13O2+ 1 177.091 -1
+  187.0753 C12H11O2+ 1 187.0754 -0.48
+  233.0801 C13H13O4+ 1 233.0808 -3.2
+  267.0409 C13H12ClO4+ 2 267.0419 -3.71
+  273.111 C16H17O4+ 2 273.1121 -4.28
+  289.2155 C19H29O2+ 1 289.2162 -2.56
+  303.2308 C20H31O2+ 2 303.2319 -3.56
+  313.2164 C21H29O2+ 1 313.2162 0.74
+  325.1912 C13H35Cl2O4+ 1 325.1907 1.65
+  331.2268 C21H31O3+ 1 331.2268 -0.04
+  399.2525 C19H40ClO6+ 2 399.2508 4.35
+  443.3878 C30H51O2+ 2 443.3884 -1.3
+  479.3646 C30H52ClO2+ 2 479.365 -0.94
+  503.3661 C32H52ClO2+ 1 503.365 2.1
+  515.3416 C30H53Cl2O2+ 1 515.3417 -0.14
+PK$NUM_PEAK: 28
+PK$PEAK: m/z int. rel.int.
+  69.0336 35381.7 35
+  69.0699 28614.1 28
+  73.0284 1008991.8 999
+  83.0854 23285.2 23
+  85.0286 35032 34
+  97.0282 64215.1 63
+  97.1013 36590.3 36
+  111.1168 18003 17
+  115.0388 148734.5 147
+  137.0596 367553.1 363
+  161.0594 113325.2 112
+  163.075 135113 133
+  171.0202 80112 79
+  177.0908 279830.1 277
+  187.0753 25921.1 25
+  233.0801 186545.5 184
+  267.0409 78219.5 77
+  273.111 73224.3 72
+  289.2155 804728.2 796
+  303.2308 255899.9 253
+  313.2164 108943.6 107
+  325.1912 358145.4 354
+  331.2268 37887.9 37
+  399.2525 22792.3 22
+  443.3878 367107.5 363
+  479.3646 448250.1 443
+  503.3661 44683 44
+  515.3416 191919 190
+//
diff --git a/Eawag/MSBNK-EAWAG-ED107905.txt b/Eawag/MSBNK-EAWAG-ED107905.txt
new file mode 100644
index 0000000000..2cff6d1335
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED107905.txt
@@ -0,0 +1,101 @@
+ACCESSION: MSBNK-EAWAG-ED107905
+RECORD_TITLE: Bartoloside K; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.6b00351
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1079
+CH$NAME: Bartoloside K
+CH$NAME: (2S,3R,4S,5R)-2-(2,5-bis(6-chlorododecyl)-3-hydroxyphenoxy)tetrahydro-2H-pyran-3,4,5-triol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C35H60Cl2O6
+CH$EXACT_MASS: 646.376695
+CH$SMILES: CCCCCCC(CCCCCC1=CC(=C(C(=C1)O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)CCCCCC(CCCCCC)Cl)O)Cl
+CH$IUPAC: InChI=1S/C35H60Cl2O6/c1-3-5-7-12-18-27(36)20-14-9-11-17-26-23-30(38)29(22-16-10-15-21-28(37)19-13-8-6-4-2)32(24-26)43-35-34(41)33(40)31(39)25-42-35/h23-24,27-28,31,33-35,38-41H,3-22,25H2,1-2H3/t27?,28?,31-,33+,34-,35+/m1/s1
+CH$LINK: PUBCHEM CID:132582913
+CH$LINK: INCHIKEY LJLORIMRLLORHA-LNSHLUEESA-N
+CH$LINK: CHEMSPIDER 58197381
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 68-681
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 16.474 min
+MS$FOCUSED_ION: BASE_PEAK 515.3412
+MS$FOCUSED_ION: PRECURSOR_M/Z 647.384
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0079-5920000000-57a27ec9cef4d9470864
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  69.0336 C4H5O+ 1 69.0335 1.89
+  69.0699 C5H9+ 1 69.0699 0
+  73.0284 C3H5O2+ 1 73.0284 -0.32
+  83.0854 C6H11+ 1 83.0855 -1.81
+  85.0283 C4H5O2+ 1 85.0284 -1.72
+  95.0857 C7H11+ 1 95.0855 2.1
+  97.0282 C5H5O2+ 1 97.0284 -1.97
+  97.1014 C7H13+ 1 97.1012 2.81
+  115.0392 C5H7O3+ 1 115.039 1.68
+  123.0441 C7H7O2+ 1 123.0441 0.25
+  135.0441 C8H7O2+ 1 135.0441 0.66
+  137.0595 C8H9O2+ 1 137.0597 -1.46
+  149.0599 C9H9O2+ 1 149.0597 1.41
+  151.0752 C9H11O2+ 1 151.0754 -0.8
+  161.0596 C10H9O2+ 1 161.0597 -0.76
+  163.0752 C10H11O2+ 1 163.0754 -1.11
+  171.0205 C8H8ClO2+ 1 171.0207 -1.07
+  175.0754 C11H11O2+ 1 175.0754 0.42
+  177.0908 C11H13O2+ 1 177.091 -1.08
+  179.0694 C10H11O3+ 1 179.0703 -4.9
+  185.0364 C9H10ClO2+ 1 185.0364 0.11
+  187.0753 C12H11O2+ 1 187.0754 -0.15
+  189.0914 C12H13O2+ 1 189.091 2.13
+  195.0203 C10H8ClO2+ 1 195.0207 -2.12
+  203.0703 C12H11O3+ 1 203.0703 0.12
+  233.08 C13H13O4+ 1 233.0808 -3.4
+  267.0423 C13H12ClO4+ 1 267.0419 1.55
+  289.2152 C19H29O2+ 2 289.2162 -3.61
+  443.3888 C30H51O2+ 1 443.3884 0.91
+PK$NUM_PEAK: 29
+PK$PEAK: m/z int. rel.int.
+  69.0336 77016.3 66
+  69.0699 99288.6 85
+  73.0284 1145029.8 982
+  83.0854 116956.5 100
+  85.0283 87848.7 75
+  95.0857 31843.7 27
+  97.0282 76442.9 65
+  97.1014 95425.3 81
+  115.0392 84678.1 72
+  123.0441 73621.7 63
+  135.0441 48789.2 41
+  137.0595 1164436.4 999
+  149.0599 38852.7 33
+  151.0752 67167.5 57
+  161.0596 234273.8 200
+  163.0752 421648.7 361
+  171.0205 140539.9 120
+  175.0754 49818.4 42
+  177.0908 551451.8 473
+  179.0694 33991.1 29
+  185.0364 23840.9 20
+  187.0753 51115.4 43
+  189.0914 16823.7 14
+  195.0203 100220.2 85
+  203.0703 33557.6 28
+  233.08 227392.5 195
+  267.0423 59810.8 51
+  289.2152 429206.7 368
+  443.3888 69006.4 59
+//
diff --git a/Eawag/MSBNK-EAWAG-ED107906.txt b/Eawag/MSBNK-EAWAG-ED107906.txt
new file mode 100644
index 0000000000..30ee511d01
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED107906.txt
@@ -0,0 +1,107 @@
+ACCESSION: MSBNK-EAWAG-ED107906
+RECORD_TITLE: Bartoloside K; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.6b00351
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1079
+CH$NAME: Bartoloside K
+CH$NAME: (2S,3R,4S,5R)-2-(2,5-bis(6-chlorododecyl)-3-hydroxyphenoxy)tetrahydro-2H-pyran-3,4,5-triol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C35H60Cl2O6
+CH$EXACT_MASS: 646.376695
+CH$SMILES: CCCCCCC(CCCCCC1=CC(=C(C(=C1)O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)CCCCCC(CCCCCC)Cl)O)Cl
+CH$IUPAC: InChI=1S/C35H60Cl2O6/c1-3-5-7-12-18-27(36)20-14-9-11-17-26-23-30(38)29(22-16-10-15-21-28(37)19-13-8-6-4-2)32(24-26)43-35-34(41)33(40)31(39)25-42-35/h23-24,27-28,31,33-35,38-41H,3-22,25H2,1-2H3/t27?,28?,31-,33+,34-,35+/m1/s1
+CH$LINK: PUBCHEM CID:132582913
+CH$LINK: INCHIKEY LJLORIMRLLORHA-LNSHLUEESA-N
+CH$LINK: CHEMSPIDER 58197381
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 68-681
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 16.474 min
+MS$FOCUSED_ION: BASE_PEAK 515.3412
+MS$FOCUSED_ION: PRECURSOR_M/Z 647.384
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-022i-5900000000-fb635a9ad56a074e0943
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  69.0336 C4H5O+ 1 69.0335 1.12
+  69.0699 C5H9+ 1 69.0699 0.77
+  71.0128 C3H3O2+ 1 71.0128 0.17
+  73.0284 C3H5O2+ 1 73.0284 -0.11
+  81.0699 C6H9+ 1 81.0699 -0.1
+  83.0854 C6H11+ 1 83.0855 -0.98
+  85.0285 C4H5O2+ 1 85.0284 0.97
+  87.0441 C4H7O2+ 1 87.0441 0.81
+  95.0856 C7H11+ 1 95.0855 0.57
+  97.0286 C5H5O2+ 1 97.0284 1.73
+  97.1012 C7H13+ 1 97.1012 0.14
+  109.1012 C8H13+ 1 109.1012 0.47
+  115.039 C5H7O3+ 1 115.039 0.68
+  123.0437 C7H7O2+ 1 123.0441 -2.79
+  135.0439 C8H7O2+ 1 135.0441 -1.27
+  137.0595 C8H9O2+ 1 137.0597 -1.24
+  147.044 C9H7O2+ 1 147.0441 -0.04
+  149.0599 C9H9O2+ 1 149.0597 1.2
+  159.0437 C10H7O2+ 1 159.0441 -1.94
+  159.0807 C11H11O+ 1 159.0804 1.93
+  161.0597 C10H9O2+ 1 161.0597 0.09
+  163.0752 C10H11O2+ 1 163.0754 -0.92
+  173.0601 C11H9O2+ 1 173.0597 2.4
+  175.0754 C11H11O2+ 1 175.0754 0.16
+  177.0907 C11H13O2+ 1 177.091 -1.95
+  179.0699 C10H11O3+ 1 179.0703 -2.08
+  187.0747 C12H11O2+ 1 187.0754 -3.33
+  191.106 C12H15O2+ 1 191.1067 -3.29
+  195.0204 C10H8ClO2+ 1 195.0207 -1.73
+  201.0909 C13H13O2+ 1 201.091 -0.33
+  203.0699 C12H11O3+ 1 203.0703 -1.83
+  289.2162 C19H29O2+ 1 289.2162 -0.13
+PK$NUM_PEAK: 32
+PK$PEAK: m/z int. rel.int.
+  69.0336 74255.8 71
+  69.0699 190591.9 183
+  71.0128 23456 22
+  73.0284 952727.4 917
+  81.0699 54109.8 52
+  83.0854 101404.7 97
+  85.0285 55355.6 53
+  87.0441 22351.2 21
+  95.0856 52814.4 50
+  97.0286 45620.2 43
+  97.1012 51966 50
+  109.1012 32663.1 31
+  115.039 28765.9 27
+  123.0437 124573.7 119
+  135.0439 81336 78
+  137.0595 1037151.6 999
+  147.044 30397.5 29
+  149.0599 52826.4 50
+  159.0437 40952.4 39
+  159.0807 28460.7 27
+  161.0597 220879.8 212
+  163.0752 326947.1 314
+  173.0601 14382.7 13
+  175.0754 73519.1 70
+  177.0907 383641.4 369
+  179.0699 31000 29
+  187.0747 63071 60
+  191.106 75484.2 72
+  195.0204 93933.8 90
+  201.0909 44532.9 42
+  203.0699 46595.2 44
+  289.2162 52434.6 50
+//
diff --git a/Eawag/MSBNK-EAWAG-ED107907.txt b/Eawag/MSBNK-EAWAG-ED107907.txt
new file mode 100644
index 0000000000..240d507859
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED107907.txt
@@ -0,0 +1,111 @@
+ACCESSION: MSBNK-EAWAG-ED107907
+RECORD_TITLE: Bartoloside K; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.6b00351
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1079
+CH$NAME: Bartoloside K
+CH$NAME: (2S,3R,4S,5R)-2-(2,5-bis(6-chlorododecyl)-3-hydroxyphenoxy)tetrahydro-2H-pyran-3,4,5-triol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C35H60Cl2O6
+CH$EXACT_MASS: 646.376695
+CH$SMILES: CCCCCCC(CCCCCC1=CC(=C(C(=C1)O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)CCCCCC(CCCCCC)Cl)O)Cl
+CH$IUPAC: InChI=1S/C35H60Cl2O6/c1-3-5-7-12-18-27(36)20-14-9-11-17-26-23-30(38)29(22-16-10-15-21-28(37)19-13-8-6-4-2)32(24-26)43-35-34(41)33(40)31(39)25-42-35/h23-24,27-28,31,33-35,38-41H,3-22,25H2,1-2H3/t27?,28?,31-,33+,34-,35+/m1/s1
+CH$LINK: PUBCHEM CID:132582913
+CH$LINK: INCHIKEY LJLORIMRLLORHA-LNSHLUEESA-N
+CH$LINK: CHEMSPIDER 58197381
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 68-681
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 16.474 min
+MS$FOCUSED_ION: BASE_PEAK 515.3412
+MS$FOCUSED_ION: PRECURSOR_M/Z 647.384
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00dr-5900000000-66766cff9720cd74191a
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  69.0335 C4H5O+ 1 69.0335 -0.21
+  69.0699 C5H9+ 1 69.0699 -0.11
+  71.0128 C3H3O2+ 1 71.0128 1.03
+  73.0284 C3H5O2+ 1 73.0284 -0.43
+  79.0543 C6H7+ 1 79.0542 1.5
+  81.07 C6H9+ 1 81.0699 0.94
+  83.0854 C6H11+ 1 83.0855 -1.35
+  95.0854 C7H11+ 1 95.0855 -1.83
+  97.0284 C5H5O2+ 1 97.0284 0.08
+  97.1012 C7H13+ 1 97.1012 0.53
+  107.0494 C7H7O+ 1 107.0491 2.43
+  121.0647 C8H9O+ 1 121.0648 -0.49
+  123.0438 C7H7O2+ 1 123.0441 -1.74
+  135.044 C8H7O2+ 1 135.0441 -0.14
+  135.0802 C9H11O+ 1 135.0804 -1.44
+  137.0595 C8H9O2+ 1 137.0597 -1.69
+  147.044 C9H7O2+ 1 147.0441 -0.56
+  149.0592 C9H9O2+ 1 149.0597 -3.2
+  149.0962 C10H13O+ 1 149.0961 0.53
+  151.0754 C9H11O2+ 1 151.0754 0.01
+  159.0441 C10H7O2+ 1 159.0441 0.26
+  159.0804 C11H11O+ 1 159.0804 -0.56
+  161.0592 C10H9O2+ 1 161.0597 -3.13
+  163.0752 C10H11O2+ 1 163.0754 -0.92
+  171.0203 C8H8ClO2+ 1 171.0207 -2.32
+  173.0594 C11H9O2+ 1 173.0597 -1.57
+  174.0672 C11H10O2+ 1 174.0675 -1.84
+  175.0751 C11H11O2+ 1 175.0754 -1.24
+  177.0906 C11H13O2+ 1 177.091 -2.2
+  191.1059 C12H15O2+ 1 191.1067 -3.85
+  195.0202 C10H8ClO2+ 1 195.0207 -2.59
+  201.0909 C13H13O2+ 1 201.091 -0.33
+  203.0699 C12H11O3+ 1 203.0703 -1.91
+  233.0805 C13H13O4+ 1 233.0808 -1.43
+PK$NUM_PEAK: 34
+PK$PEAK: m/z int. rel.int.
+  69.0335 88477.5 96
+  69.0699 211113.2 230
+  71.0128 31466.1 34
+  73.0284 817063.7 892
+  79.0543 21005 22
+  81.07 55364.7 60
+  83.0854 66763.2 72
+  95.0854 40393.9 44
+  97.0284 43291.3 47
+  97.1012 44788.9 48
+  107.0494 24160.9 26
+  121.0647 24181.4 26
+  123.0438 132194.4 144
+  135.044 87055.1 95
+  135.0802 20541.2 22
+  137.0595 914130.6 999
+  147.044 30267.7 33
+  149.0592 61208.5 66
+  149.0962 13005.2 14
+  151.0754 62277.5 68
+  159.0441 44754.8 48
+  159.0804 26756.5 29
+  161.0592 175130 191
+  163.0752 216869.9 237
+  171.0203 86758.9 94
+  173.0594 29831.6 32
+  174.0672 26982.4 29
+  175.0751 83939.2 91
+  177.0906 190803 208
+  191.1059 41309.2 45
+  195.0202 71480.1 78
+  201.0909 23326.8 25
+  203.0699 28726 31
+  233.0805 51039.8 55
+//
diff --git a/Eawag/MSBNK-EAWAG-ED107908.txt b/Eawag/MSBNK-EAWAG-ED107908.txt
new file mode 100644
index 0000000000..f4da9151fb
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED107908.txt
@@ -0,0 +1,101 @@
+ACCESSION: MSBNK-EAWAG-ED107908
+RECORD_TITLE: Bartoloside K; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.6b00351
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1079
+CH$NAME: Bartoloside K
+CH$NAME: (2S,3R,4S,5R)-2-(2,5-bis(6-chlorododecyl)-3-hydroxyphenoxy)tetrahydro-2H-pyran-3,4,5-triol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C35H60Cl2O6
+CH$EXACT_MASS: 646.376695
+CH$SMILES: CCCCCCC(CCCCCC1=CC(=C(C(=C1)O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)CCCCCC(CCCCCC)Cl)O)Cl
+CH$IUPAC: InChI=1S/C35H60Cl2O6/c1-3-5-7-12-18-27(36)20-14-9-11-17-26-23-30(38)29(22-16-10-15-21-28(37)19-13-8-6-4-2)32(24-26)43-35-34(41)33(40)31(39)25-42-35/h23-24,27-28,31,33-35,38-41H,3-22,25H2,1-2H3/t27?,28?,31-,33+,34-,35+/m1/s1
+CH$LINK: PUBCHEM CID:132582913
+CH$LINK: INCHIKEY LJLORIMRLLORHA-LNSHLUEESA-N
+CH$LINK: CHEMSPIDER 58197381
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 68-681
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 16.474 min
+MS$FOCUSED_ION: BASE_PEAK 515.3412
+MS$FOCUSED_ION: PRECURSOR_M/Z 647.384
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00dr-6900000000-bdf333ec3c8f5fa75ae3
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  69.0698 C5H9+ 1 69.0699 -0.55
+  71.0129 C3H3O2+ 1 71.0128 1.67
+  73.0284 C3H5O2+ 1 73.0284 -0.11
+  79.0543 C6H7+ 1 79.0542 0.44
+  81.0697 C6H9+ 1 81.0699 -1.98
+  83.0127 C4H3O2+ 1 83.0128 -0.78
+  83.0856 C6H11+ 1 83.0855 0.58
+  85.0285 C4H5O2+ 1 85.0284 1.06
+  91.0544 C7H7+ 1 91.0542 2.25
+  95.0492 C6H7O+ 1 95.0491 0.1
+  95.0856 C7H11+ 1 95.0855 1.14
+  107.0489 C7H7O+ 1 107.0491 -2.63
+  109.0644 C7H9O+ 1 109.0648 -3.79
+  121.065 C8H9O+ 1 121.0648 1.4
+  123.0439 C7H7O2+ 1 123.0441 -0.93
+  135.0803 C9H11O+ 1 135.0804 -1.33
+  137.0595 C8H9O2+ 1 137.0597 -1.35
+  147.0443 C9H7O2+ 1 147.0441 1.52
+  149.0599 C9H9O2+ 1 149.0597 1.1
+  151.0754 C9H11O2+ 1 151.0754 0.62
+  159.0438 C10H7O2+ 1 159.0441 -1.37
+  159.0799 C11H11O+ 1 159.0804 -3.63
+  161.0594 C10H9O2+ 1 161.0597 -1.99
+  163.0752 C10H11O2+ 1 163.0754 -0.73
+  171.0203 C8H8ClO2+ 1 171.0207 -2.59
+  173.06 C11H9O2+ 1 173.0597 1.43
+  174.0676 C11H10O2+ 1 174.0675 0.26
+  175.0756 C11H11O2+ 1 175.0754 1.64
+  187.0753 C12H11O2+ 1 187.0754 -0.39
+PK$NUM_PEAK: 29
+PK$PEAK: m/z int. rel.int.
+  69.0698 144164.2 240
+  71.0129 30374.3 50
+  73.0284 564401.1 942
+  79.0543 34099.6 56
+  81.0697 61844.9 103
+  83.0127 32814.2 54
+  83.0856 25280.4 42
+  85.0285 51040.5 85
+  91.0544 36215.4 60
+  95.0492 20908.3 34
+  95.0856 36022.2 60
+  107.0489 20926.8 34
+  109.0644 25654.5 42
+  121.065 34061 56
+  123.0439 109705.5 183
+  135.0803 23284.9 38
+  137.0595 598392.8 999
+  147.0443 20640.4 34
+  149.0599 51839.7 86
+  151.0754 48673.8 81
+  159.0438 31409.1 52
+  159.0799 23750.2 39
+  161.0594 154708.1 258
+  163.0752 108185.4 180
+  171.0203 28227.4 47
+  173.06 36277.2 60
+  174.0676 43420.5 72
+  175.0756 65929.6 110
+  187.0753 43949.8 73
+//
diff --git a/Eawag/MSBNK-EAWAG-ED107909.txt b/Eawag/MSBNK-EAWAG-ED107909.txt
new file mode 100644
index 0000000000..643671ef16
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED107909.txt
@@ -0,0 +1,107 @@
+ACCESSION: MSBNK-EAWAG-ED107909
+RECORD_TITLE: Bartoloside K; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.6b00351
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1079
+CH$NAME: Bartoloside K
+CH$NAME: (2S,3R,4S,5R)-2-(2,5-bis(6-chlorododecyl)-3-hydroxyphenoxy)tetrahydro-2H-pyran-3,4,5-triol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C35H60Cl2O6
+CH$EXACT_MASS: 646.376695
+CH$SMILES: CCCCCCC(CCCCCC1=CC(=C(C(=C1)O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)CCCCCC(CCCCCC)Cl)O)Cl
+CH$IUPAC: InChI=1S/C35H60Cl2O6/c1-3-5-7-12-18-27(36)20-14-9-11-17-26-23-30(38)29(22-16-10-15-21-28(37)19-13-8-6-4-2)32(24-26)43-35-34(41)33(40)31(39)25-42-35/h23-24,27-28,31,33-35,38-41H,3-22,25H2,1-2H3/t27?,28?,31-,33+,34-,35+/m1/s1
+CH$LINK: PUBCHEM CID:132582913
+CH$LINK: INCHIKEY LJLORIMRLLORHA-LNSHLUEESA-N
+CH$LINK: CHEMSPIDER 58197381
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 68-681
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 16.474 min
+MS$FOCUSED_ION: BASE_PEAK 515.3412
+MS$FOCUSED_ION: PRECURSOR_M/Z 647.384
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0079-6900000000-ebc681f104bde1de37c2
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  69.0334 C4H5O+ 1 69.0335 -1.2
+  69.0699 C5H9+ 1 69.0699 0.99
+  71.0127 C3H3O2+ 1 71.0128 -0.48
+  73.0284 C3H5O2+ 1 73.0284 -0.22
+  79.0539 C6H7+ 1 79.0542 -3.62
+  81.07 C6H9+ 1 81.0699 2.06
+  83.0127 C4H3O2+ 1 83.0128 -0.96
+  85.0284 C4H5O2+ 1 85.0284 -0.55
+  91.0542 C7H7+ 1 91.0542 -0.51
+  95.0491 C6H7O+ 1 95.0491 -0.46
+  95.0857 C7H11+ 1 95.0855 1.38
+  105.0699 C8H9+ 1 105.0699 -0.09
+  107.0493 C7H7O+ 1 107.0491 1.86
+  109.0647 C7H9O+ 1 109.0648 -0.64
+  121.065 C8H9O+ 1 121.0648 1.47
+  123.0439 C7H7O2+ 1 123.0441 -1.37
+  133.0647 C9H9O+ 1 133.0648 -0.44
+  135.0438 C8H7O2+ 1 135.0441 -1.94
+  135.0803 C9H11O+ 1 135.0804 -0.99
+  137.0595 C8H9O2+ 1 137.0597 -1.57
+  145.0645 C10H9O+ 1 145.0648 -2
+  147.044 C9H7O2+ 1 147.0441 -0.04
+  149.06 C9H9O2+ 1 149.0597 1.71
+  151.0755 C9H11O2+ 1 151.0754 0.72
+  160.0516 C10H8O2+ 1 160.0519 -2.01
+  161.0592 C10H9O2+ 1 161.0597 -2.84
+  163.075 C10H11O2+ 1 163.0754 -2.04
+  171.0207 C8H8ClO2+ 1 171.0207 -0.36
+  174.067 C11H10O2+ 1 174.0675 -2.8
+  175.0752 C11H11O2+ 1 175.0754 -0.71
+  177.0906 C11H13O2+ 1 177.091 -2.29
+  187.0756 C12H11O2+ 1 187.0754 1.07
+PK$NUM_PEAK: 32
+PK$PEAK: m/z int. rel.int.
+  69.0334 71117.4 187
+  69.0699 90431.1 238
+  71.0127 26701.9 70
+  73.0284 354914.3 937
+  79.0539 64568.3 170
+  81.07 56235.1 148
+  83.0127 41031.1 108
+  85.0284 44866.1 118
+  91.0542 89855.8 237
+  95.0491 39474.2 104
+  95.0857 28851.3 76
+  105.0699 44626.9 117
+  107.0493 24618.2 65
+  109.0647 60127.4 158
+  121.065 41237.5 108
+  123.0439 78682.2 207
+  133.0647 15700 41
+  135.0438 68589.2 181
+  135.0803 28648.4 75
+  137.0595 378356.7 999
+  145.0645 31121.9 82
+  147.044 34536.6 91
+  149.06 41053.6 108
+  151.0755 35849.3 94
+  160.0516 25351.1 66
+  161.0592 103341.6 272
+  163.075 40571.9 107
+  171.0207 30304.4 80
+  174.067 55347.8 146
+  175.0752 50536 133
+  177.0906 46257.6 122
+  187.0756 26932.6 71
+//
diff --git a/Eawag/MSBNK-EAWAG-ED111701.txt b/Eawag/MSBNK-EAWAG-ED111701.txt
new file mode 100644
index 0000000000..fe8bbd2131
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED111701.txt
@@ -0,0 +1,61 @@
+ACCESSION: MSBNK-EAWAG-ED111701
+RECORD_TITLE: Bartoloside J; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.6b00351
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1117
+CH$NAME: Bartoloside J
+CH$NAME: (2S,3R,4S,5R)-2-(2-(6-chlorododecyl)-3-hydroxy-5-undecylphenoxy)tetrahydro-2H-pyran-3,4,5-triol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C34H59ClO6
+CH$EXACT_MASS: 598.4000173
+CH$SMILES: CCCCCCCCCCCC1=CC(=C(C(=C1)O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)CCCCCC(CCCCCC)Cl)O
+CH$IUPAC: InChI=1S/C34H59ClO6/c1-3-5-7-9-10-11-12-13-15-19-26-23-29(36)28(22-18-14-17-21-27(35)20-16-8-6-4-2)31(24-26)41-34-33(39)32(38)30(37)25-40-34/h23-24,27,30,32-34,36-39H,3-22,25H2,1-2H3/t27?,30-,32+,33-,34+/m1/s1
+CH$LINK: PUBCHEM CID:132582915
+CH$LINK: INCHIKEY OTVIJJKBILNRLT-WPQQXQCVSA-N
+CH$LINK: CHEMSPIDER 58197380
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 63-632
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 16.675 min
+MS$FOCUSED_ION: BASE_PEAK 467.3645
+MS$FOCUSED_ION: PRECURSOR_M/Z 599.4073
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-014i-0000940000-c2938510fda190d578c5
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  73.0283 C3H5O2+ 1 73.0284 -0.95
+  115.0389 C5H7O3+ 1 115.039 -0.77
+  373.2364 C23H33O4+ 2 373.2373 -2.63
+  467.3644 C29H52ClO2+ 1 467.365 -1.27
+  491.3638 C31H52ClO2+ 1 491.365 -2.55
+  509.3756 C31H54ClO3+ 1 509.3756 0.02
+  527.4085 C34H55O4+ 2 527.4095 -1.85
+  563.3855 C34H56ClO4+ 1 563.3862 -1.12
+  599.4062 C34H60ClO6+ 1 599.4073 -1.77
+PK$NUM_PEAK: 9
+PK$PEAK: m/z int. rel.int.
+  73.0283 234430.5 74
+  115.0389 102223.6 32
+  373.2364 271717.5 86
+  467.3644 3148627.5 999
+  491.3638 235447.3 74
+  509.3756 70884.8 22
+  527.4085 143726.2 45
+  563.3855 495619.1 157
+  599.4062 1111442.2 352
+//
diff --git a/Eawag/MSBNK-EAWAG-ED111702.txt b/Eawag/MSBNK-EAWAG-ED111702.txt
new file mode 100644
index 0000000000..e3e6054462
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED111702.txt
@@ -0,0 +1,73 @@
+ACCESSION: MSBNK-EAWAG-ED111702
+RECORD_TITLE: Bartoloside J; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.6b00351
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1117
+CH$NAME: Bartoloside J
+CH$NAME: (2S,3R,4S,5R)-2-(2-(6-chlorododecyl)-3-hydroxy-5-undecylphenoxy)tetrahydro-2H-pyran-3,4,5-triol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C34H59ClO6
+CH$EXACT_MASS: 598.4000173
+CH$SMILES: CCCCCCCCCCCC1=CC(=C(C(=C1)O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)CCCCCC(CCCCCC)Cl)O
+CH$IUPAC: InChI=1S/C34H59ClO6/c1-3-5-7-9-10-11-12-13-15-19-26-23-29(36)28(22-18-14-17-21-27(35)20-16-8-6-4-2)31(24-26)41-34-33(39)32(38)30(37)25-40-34/h23-24,27,30,32-34,36-39H,3-22,25H2,1-2H3/t27?,30-,32+,33-,34+/m1/s1
+CH$LINK: PUBCHEM CID:132582915
+CH$LINK: INCHIKEY OTVIJJKBILNRLT-WPQQXQCVSA-N
+CH$LINK: CHEMSPIDER 58197380
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 63-632
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 16.675 min
+MS$FOCUSED_ION: BASE_PEAK 467.3645
+MS$FOCUSED_ION: PRECURSOR_M/Z 599.4073
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-014i-1011920000-af0cd5741e880838c256
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  73.0284 C3H5O2+ 1 73.0284 -0.32
+  115.0389 C5H7O3+ 1 115.039 -0.31
+  133.0491 C5H9O4+ 1 133.0495 -3.56
+  137.0601 C8H9O2+ 1 137.0597 2.66
+  277.2153 C18H29O2+ 2 277.2162 -3.18
+  299.1997 C20H27O2+ 2 299.2006 -2.88
+  301.2149 C14H34ClO4+ 2 301.214 2.84
+  373.2367 C23H33O4+ 2 373.2373 -1.65
+  431.3881 C29H51O2+ 2 431.3884 -0.52
+  467.3647 C29H52ClO2+ 1 467.365 -0.75
+  491.3645 C31H52ClO2+ 1 491.365 -1.06
+  509.3781 C31H54ClO3+ 1 509.3756 4.94
+  527.4095 C34H55O4+ 2 527.4095 0.01
+  563.3851 C34H56ClO4+ 1 563.3862 -1.88
+  599.4075 C34H60ClO6+ 1 599.4073 0.37
+PK$NUM_PEAK: 15
+PK$PEAK: m/z int. rel.int.
+  73.0284 520169.7 197
+  115.0389 147685.9 55
+  133.0491 54747.7 20
+  137.0601 34010.6 12
+  277.2153 497836.6 188
+  299.1997 51854 19
+  301.2149 125263.3 47
+  373.2367 397785.3 150
+  431.3881 367700.8 139
+  467.3647 2637243.2 999
+  491.3645 185745.7 70
+  509.3781 85582.9 32
+  527.4095 72389.9 27
+  563.3851 137039.2 51
+  599.4075 508543.1 192
+//
diff --git a/Eawag/MSBNK-EAWAG-ED111703.txt b/Eawag/MSBNK-EAWAG-ED111703.txt
new file mode 100644
index 0000000000..2ecfed553d
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED111703.txt
@@ -0,0 +1,83 @@
+ACCESSION: MSBNK-EAWAG-ED111703
+RECORD_TITLE: Bartoloside J; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.6b00351
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1117
+CH$NAME: Bartoloside J
+CH$NAME: (2S,3R,4S,5R)-2-(2-(6-chlorododecyl)-3-hydroxy-5-undecylphenoxy)tetrahydro-2H-pyran-3,4,5-triol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C34H59ClO6
+CH$EXACT_MASS: 598.4000173
+CH$SMILES: CCCCCCCCCCCC1=CC(=C(C(=C1)O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)CCCCCC(CCCCCC)Cl)O
+CH$IUPAC: InChI=1S/C34H59ClO6/c1-3-5-7-9-10-11-12-13-15-19-26-23-29(36)28(22-18-14-17-21-27(35)20-16-8-6-4-2)31(24-26)41-34-33(39)32(38)30(37)25-40-34/h23-24,27,30,32-34,36-39H,3-22,25H2,1-2H3/t27?,30-,32+,33-,34+/m1/s1
+CH$LINK: PUBCHEM CID:132582915
+CH$LINK: INCHIKEY OTVIJJKBILNRLT-WPQQXQCVSA-N
+CH$LINK: CHEMSPIDER 58197380
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 63-632
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 16.675 min
+MS$FOCUSED_ION: BASE_PEAK 467.3645
+MS$FOCUSED_ION: PRECURSOR_M/Z 599.4073
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00vi-3272900000-a933ca57edab5c2774ce
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  69.0334 C4H5O+ 1 69.0335 -0.87
+  73.0284 C3H5O2+ 1 73.0284 -0.53
+  85.0281 C4H5O2+ 1 85.0284 -3.07
+  89.0598 C4H9O2+ 1 89.0597 1.24
+  97.0282 C5H5O2+ 1 97.0284 -1.97
+  115.0387 C5H7O3+ 1 115.039 -2.1
+  133.0494 C5H9O4+ 1 133.0495 -0.92
+  137.0595 C8H9O2+ 1 137.0597 -1.24
+  161.0594 C10H9O2+ 1 161.0597 -1.8
+  233.0803 C13H13O4+ 1 233.0808 -2.28
+  277.2154 C18H29O2+ 2 277.2162 -3.07
+  301.2153 C14H34ClO4+ 2 301.214 4.16
+  355.2265 C23H31O3+ 1 355.2268 -0.72
+  373.2371 C23H33O4+ 1 373.2373 -0.75
+  431.388 C29H51O2+ 2 431.3884 -0.87
+  455.3889 C31H51O2+ 1 455.3884 1.12
+  467.3646 C29H52ClO2+ 1 467.365 -0.94
+  491.3658 C31H52ClO2+ 1 491.365 1.55
+  527.411 C34H55O4+ 1 527.4095 2.78
+  563.3887 C34H56ClO4+ 1 563.3862 4.52
+PK$NUM_PEAK: 20
+PK$PEAK: m/z int. rel.int.
+  69.0334 25950.1 19
+  73.0284 675056.6 505
+  85.0281 22371.4 16
+  89.0598 23679.6 17
+  97.0282 33183.8 24
+  115.0387 125128.6 93
+  133.0494 29393.7 22
+  137.0595 219712.3 164
+  161.0594 76778.4 57
+  233.0803 132815.3 99
+  277.2154 1333048.6 999
+  301.2153 190637.4 142
+  355.2265 15097.2 11
+  373.2371 224200.3 168
+  431.388 500328.9 374
+  455.3889 24829.6 18
+  467.3646 1205235.2 903
+  491.3658 88119.9 66
+  527.411 29726.2 22
+  563.3887 37514.4 28
+//
diff --git a/Eawag/MSBNK-EAWAG-ED111704.txt b/Eawag/MSBNK-EAWAG-ED111704.txt
new file mode 100644
index 0000000000..84db67f53c
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED111704.txt
@@ -0,0 +1,83 @@
+ACCESSION: MSBNK-EAWAG-ED111704
+RECORD_TITLE: Bartoloside J; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.6b00351
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1117
+CH$NAME: Bartoloside J
+CH$NAME: (2S,3R,4S,5R)-2-(2-(6-chlorododecyl)-3-hydroxy-5-undecylphenoxy)tetrahydro-2H-pyran-3,4,5-triol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C34H59ClO6
+CH$EXACT_MASS: 598.4000173
+CH$SMILES: CCCCCCCCCCCC1=CC(=C(C(=C1)O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)CCCCCC(CCCCCC)Cl)O
+CH$IUPAC: InChI=1S/C34H59ClO6/c1-3-5-7-9-10-11-12-13-15-19-26-23-29(36)28(22-18-14-17-21-27(35)20-16-8-6-4-2)31(24-26)41-34-33(39)32(38)30(37)25-40-34/h23-24,27,30,32-34,36-39H,3-22,25H2,1-2H3/t27?,30-,32+,33-,34+/m1/s1
+CH$LINK: PUBCHEM CID:132582915
+CH$LINK: INCHIKEY OTVIJJKBILNRLT-WPQQXQCVSA-N
+CH$LINK: CHEMSPIDER 58197380
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 63-632
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 16.675 min
+MS$FOCUSED_ION: BASE_PEAK 467.3645
+MS$FOCUSED_ION: PRECURSOR_M/Z 599.4073
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-004i-4591300000-034557832fed643d82f0
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  69.0334 C4H5O+ 1 69.0335 -0.65
+  71.0127 C3H3O2+ 1 71.0128 -1.12
+  73.0284 C3H5O2+ 1 73.0284 -0.32
+  85.0281 C4H5O2+ 1 85.0284 -3.16
+  97.0282 C5H5O2+ 1 97.0284 -2.2
+  97.101 C7H13+ 1 97.1012 -2.22
+  115.0387 C5H7O3+ 1 115.039 -2.5
+  137.0595 C8H9O2+ 1 137.0597 -1.46
+  151.0756 C9H11O2+ 1 151.0754 1.83
+  161.0594 C10H9O2+ 1 161.0597 -1.99
+  233.0802 C13H13O4+ 1 233.0808 -2.81
+  277.2153 C18H29O2+ 2 277.2162 -3.4
+  299.1996 C20H27O2+ 2 299.2006 -3.19
+  301.2154 C14H34ClO4+ 2 301.214 4.46
+  355.2265 C23H31O3+ 1 355.2268 -0.64
+  373.2371 C23H33O4+ 1 373.2373 -0.59
+  431.3875 C29H51O2+ 2 431.3884 -2
+  455.3875 C31H51O2+ 2 455.3884 -1.83
+  467.3641 C29H52ClO2+ 1 467.365 -1.92
+  491.3642 C31H52ClO2+ 1 491.365 -1.62
+PK$NUM_PEAK: 20
+PK$PEAK: m/z int. rel.int.
+  69.0334 30012.3 18
+  71.0127 17037.4 10
+  73.0284 773720 487
+  85.0281 27553.6 17
+  97.0282 39864.2 25
+  97.101 16326.7 10
+  115.0387 88838.4 55
+  137.0595 790415.7 497
+  151.0756 20624 12
+  161.0594 145642.4 91
+  233.0802 177163.9 111
+  277.2153 1586244.9 999
+  299.1996 59955.6 37
+  301.2154 154920.6 97
+  355.2265 17131.8 10
+  373.2371 70274 44
+  431.3875 398897.4 251
+  455.3875 28044.2 17
+  467.3641 287203.9 180
+  491.3642 25851 16
+//
diff --git a/Eawag/MSBNK-EAWAG-ED111705.txt b/Eawag/MSBNK-EAWAG-ED111705.txt
new file mode 100644
index 0000000000..658b876300
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED111705.txt
@@ -0,0 +1,81 @@
+ACCESSION: MSBNK-EAWAG-ED111705
+RECORD_TITLE: Bartoloside J; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.6b00351
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1117
+CH$NAME: Bartoloside J
+CH$NAME: (2S,3R,4S,5R)-2-(2-(6-chlorododecyl)-3-hydroxy-5-undecylphenoxy)tetrahydro-2H-pyran-3,4,5-triol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C34H59ClO6
+CH$EXACT_MASS: 598.4000173
+CH$SMILES: CCCCCCCCCCCC1=CC(=C(C(=C1)O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)CCCCCC(CCCCCC)Cl)O
+CH$IUPAC: InChI=1S/C34H59ClO6/c1-3-5-7-9-10-11-12-13-15-19-26-23-29(36)28(22-18-14-17-21-27(35)20-16-8-6-4-2)31(24-26)41-34-33(39)32(38)30(37)25-40-34/h23-24,27,30,32-34,36-39H,3-22,25H2,1-2H3/t27?,30-,32+,33-,34+/m1/s1
+CH$LINK: PUBCHEM CID:132582915
+CH$LINK: INCHIKEY OTVIJJKBILNRLT-WPQQXQCVSA-N
+CH$LINK: CHEMSPIDER 58197380
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 63-632
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 16.675 min
+MS$FOCUSED_ION: BASE_PEAK 467.3645
+MS$FOCUSED_ION: PRECURSOR_M/Z 599.4073
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-000i-4920000000-e619731ead6f813da229
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  69.0333 C4H5O+ 1 69.0335 -2.75
+  69.0697 C5H9+ 1 69.0699 -2.54
+  71.0854 C5H11+ 1 71.0855 -1.57
+  73.0283 C3H5O2+ 1 73.0284 -0.85
+  83.0854 C6H11+ 1 83.0855 -1.9
+  85.0284 C4H5O2+ 1 85.0284 -0.11
+  97.0284 C5H5O2+ 1 97.0284 -0.55
+  97.101 C7H13+ 1 97.1012 -1.75
+  115.0389 C5H7O3+ 1 115.039 -0.64
+  123.044 C7H7O2+ 1 123.0441 -0.19
+  137.0595 C8H9O2+ 1 137.0597 -1.57
+  151.075 C9H11O2+ 1 151.0754 -2.51
+  161.0594 C10H9O2+ 1 161.0597 -1.99
+  163.0749 C10H11O2+ 1 163.0754 -3.07
+  175.075 C11H11O2+ 1 175.0754 -2.2
+  179.0704 C10H11O3+ 1 179.0703 0.47
+  233.0801 C13H13O4+ 1 233.0808 -3.07
+  277.2154 C18H29O2+ 1 277.2162 -2.85
+  301.2147 C14H34ClO4+ 1 301.214 2.23
+PK$NUM_PEAK: 19
+PK$PEAK: m/z int. rel.int.
+  69.0333 37690.3 20
+  69.0697 70266.4 37
+  71.0854 20303.9 10
+  73.0283 765311.2 409
+  83.0854 61188 32
+  85.0284 40851.5 21
+  97.0284 34930.5 18
+  97.101 53762.9 28
+  115.0389 47805.3 25
+  123.044 28868.7 15
+  137.0595 1868131.1 999
+  151.075 63557.8 33
+  161.0594 212315.6 113
+  163.0749 19399.2 10
+  175.075 35613.2 19
+  179.0704 48089.5 25
+  233.0801 191189.7 102
+  277.2154 459389.2 245
+  301.2147 39391.3 21
+//
diff --git a/Eawag/MSBNK-EAWAG-ED111706.txt b/Eawag/MSBNK-EAWAG-ED111706.txt
new file mode 100644
index 0000000000..d25b243b86
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED111706.txt
@@ -0,0 +1,79 @@
+ACCESSION: MSBNK-EAWAG-ED111706
+RECORD_TITLE: Bartoloside J; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.6b00351
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1117
+CH$NAME: Bartoloside J
+CH$NAME: (2S,3R,4S,5R)-2-(2-(6-chlorododecyl)-3-hydroxy-5-undecylphenoxy)tetrahydro-2H-pyran-3,4,5-triol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C34H59ClO6
+CH$EXACT_MASS: 598.4000173
+CH$SMILES: CCCCCCCCCCCC1=CC(=C(C(=C1)O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)CCCCCC(CCCCCC)Cl)O
+CH$IUPAC: InChI=1S/C34H59ClO6/c1-3-5-7-9-10-11-12-13-15-19-26-23-29(36)28(22-18-14-17-21-27(35)20-16-8-6-4-2)31(24-26)41-34-33(39)32(38)30(37)25-40-34/h23-24,27,30,32-34,36-39H,3-22,25H2,1-2H3/t27?,30-,32+,33-,34+/m1/s1
+CH$LINK: PUBCHEM CID:132582915
+CH$LINK: INCHIKEY OTVIJJKBILNRLT-WPQQXQCVSA-N
+CH$LINK: CHEMSPIDER 58197380
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 63-632
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 16.675 min
+MS$FOCUSED_ION: BASE_PEAK 467.3645
+MS$FOCUSED_ION: PRECURSOR_M/Z 599.4073
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-000i-4900000000-50047ff2648007c7d4b4
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  69.0335 C4H5O+ 1 69.0335 -0.54
+  69.0698 C5H9+ 1 69.0699 -0.44
+  71.0855 C5H11+ 1 71.0855 -0.82
+  73.0284 C3H5O2+ 1 73.0284 -0.43
+  83.0854 C6H11+ 1 83.0855 -2.08
+  85.0286 C4H5O2+ 1 85.0284 2.23
+  97.0282 C5H5O2+ 1 97.0284 -1.89
+  97.1013 C7H13+ 1 97.1012 0.92
+  123.0441 C7H7O2+ 1 123.0441 0.62
+  137.0595 C8H9O2+ 1 137.0597 -1.57
+  151.075 C9H11O2+ 1 151.0754 -2.21
+  161.0594 C10H9O2+ 1 161.0597 -1.71
+  163.0749 C10H11O2+ 1 163.0754 -2.6
+  175.0756 C11H11O2+ 1 175.0754 1.55
+  179.0704 C10H11O3+ 1 179.0703 0.56
+  203.0702 C12H11O3+ 1 203.0703 -0.26
+  233.0797 C13H13O4+ 2 233.0808 -4.71
+  277.2154 C18H29O2+ 2 277.2162 -2.96
+PK$NUM_PEAK: 18
+PK$PEAK: m/z int. rel.int.
+  69.0335 48461.1 30
+  69.0698 154214.7 95
+  71.0855 26961.3 16
+  73.0284 698482.8 434
+  83.0854 63308.8 39
+  85.0286 50991.9 31
+  97.0282 22384.9 13
+  97.1013 45696.5 28
+  123.0441 55643.1 34
+  137.0595 1605411.1 999
+  151.075 60226.9 37
+  161.0594 183205.3 114
+  163.0749 31503.5 19
+  175.0756 56444.9 35
+  179.0704 35520.7 22
+  203.0702 23329.8 14
+  233.0797 88525.4 55
+  277.2154 38349 23
+//
diff --git a/Eawag/MSBNK-EAWAG-ED111707.txt b/Eawag/MSBNK-EAWAG-ED111707.txt
new file mode 100644
index 0000000000..c3ca7540cd
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED111707.txt
@@ -0,0 +1,89 @@
+ACCESSION: MSBNK-EAWAG-ED111707
+RECORD_TITLE: Bartoloside J; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.6b00351
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1117
+CH$NAME: Bartoloside J
+CH$NAME: (2S,3R,4S,5R)-2-(2-(6-chlorododecyl)-3-hydroxy-5-undecylphenoxy)tetrahydro-2H-pyran-3,4,5-triol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C34H59ClO6
+CH$EXACT_MASS: 598.4000173
+CH$SMILES: CCCCCCCCCCCC1=CC(=C(C(=C1)O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)CCCCCC(CCCCCC)Cl)O
+CH$IUPAC: InChI=1S/C34H59ClO6/c1-3-5-7-9-10-11-12-13-15-19-26-23-29(36)28(22-18-14-17-21-27(35)20-16-8-6-4-2)31(24-26)41-34-33(39)32(38)30(37)25-40-34/h23-24,27,30,32-34,36-39H,3-22,25H2,1-2H3/t27?,30-,32+,33-,34+/m1/s1
+CH$LINK: PUBCHEM CID:132582915
+CH$LINK: INCHIKEY OTVIJJKBILNRLT-WPQQXQCVSA-N
+CH$LINK: CHEMSPIDER 58197380
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 63-632
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 16.675 min
+MS$FOCUSED_ION: BASE_PEAK 467.3645
+MS$FOCUSED_ION: PRECURSOR_M/Z 599.4073
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-000i-5900000000-2eebaf37968e77cdb655
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  67.0542 C5H7+ 1 67.0542 0.19
+  69.0335 C4H5O+ 1 69.0335 0.01
+  69.0698 C5H9+ 1 69.0699 -0.44
+  71.0127 C3H3O2+ 1 71.0128 -0.8
+  71.0857 C5H11+ 1 71.0855 2.4
+  73.0284 C3H5O2+ 1 73.0284 -0.43
+  81.0699 C6H9+ 1 81.0699 0.09
+  83.0856 C6H11+ 1 83.0855 0.58
+  85.0284 C4H5O2+ 1 85.0284 0.16
+  97.0287 C5H5O2+ 1 97.0284 3.38
+  97.1014 C7H13+ 1 97.1012 2.42
+  109.065 C7H9O+ 1 109.0648 2.16
+  123.0438 C7H7O2+ 1 123.0441 -1.68
+  137.0595 C8H9O2+ 1 137.0597 -1.46
+  151.0755 C9H11O2+ 1 151.0754 1.12
+  161.0596 C10H9O2+ 1 161.0597 -0.95
+  163.0756 C10H11O2+ 1 163.0754 1.61
+  174.0677 C11H10O2+ 1 174.0675 1.05
+  175.0753 C11H11O2+ 1 175.0754 -0.19
+  179.0701 C10H11O3+ 1 179.0703 -0.81
+  187.0749 C12H11O2+ 1 187.0754 -2.35
+  203.0701 C12H11O3+ 1 203.0703 -0.63
+  233.0806 C13H13O4+ 1 233.0808 -1.04
+PK$NUM_PEAK: 23
+PK$PEAK: m/z int. rel.int.
+  67.0542 14885 13
+  69.0335 39399.9 34
+  69.0698 176305.1 154
+  71.0127 16764.6 14
+  71.0857 26674.7 23
+  73.0284 545873.4 477
+  81.0699 23765.8 20
+  83.0856 37898.9 33
+  85.0284 42489 37
+  97.0287 18500.5 16
+  97.1014 22512.5 19
+  109.065 23440 20
+  123.0438 75675.8 66
+  137.0595 1142361.2 999
+  151.0755 39283.3 34
+  161.0596 151004.1 132
+  163.0756 21196.6 18
+  174.0677 28190 24
+  175.0753 51801.1 45
+  179.0701 27425.6 23
+  187.0749 26025.3 22
+  203.0701 22648 19
+  233.0806 29536.3 25
+//
diff --git a/Eawag/MSBNK-EAWAG-ED111708.txt b/Eawag/MSBNK-EAWAG-ED111708.txt
new file mode 100644
index 0000000000..658985181d
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED111708.txt
@@ -0,0 +1,91 @@
+ACCESSION: MSBNK-EAWAG-ED111708
+RECORD_TITLE: Bartoloside J; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.6b00351
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1117
+CH$NAME: Bartoloside J
+CH$NAME: (2S,3R,4S,5R)-2-(2-(6-chlorododecyl)-3-hydroxy-5-undecylphenoxy)tetrahydro-2H-pyran-3,4,5-triol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C34H59ClO6
+CH$EXACT_MASS: 598.4000173
+CH$SMILES: CCCCCCCCCCCC1=CC(=C(C(=C1)O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)CCCCCC(CCCCCC)Cl)O
+CH$IUPAC: InChI=1S/C34H59ClO6/c1-3-5-7-9-10-11-12-13-15-19-26-23-29(36)28(22-18-14-17-21-27(35)20-16-8-6-4-2)31(24-26)41-34-33(39)32(38)30(37)25-40-34/h23-24,27,30,32-34,36-39H,3-22,25H2,1-2H3/t27?,30-,32+,33-,34+/m1/s1
+CH$LINK: PUBCHEM CID:132582915
+CH$LINK: INCHIKEY OTVIJJKBILNRLT-WPQQXQCVSA-N
+CH$LINK: CHEMSPIDER 58197380
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 63-632
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 16.675 min
+MS$FOCUSED_ION: BASE_PEAK 467.3645
+MS$FOCUSED_ION: PRECURSOR_M/Z 599.4073
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0079-5900000000-ad7957c6c5bfed7ee567
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  67.0541 C5H7+ 1 67.0542 -1.18
+  69.0334 C4H5O+ 1 69.0335 -1.32
+  69.0698 C5H9+ 1 69.0699 -1.22
+  71.0128 C3H3O2+ 1 71.0128 0.06
+  71.0854 C5H11+ 1 71.0855 -2.33
+  73.0284 C3H5O2+ 1 73.0284 -0.64
+  79.0542 C6H7+ 1 79.0542 0.24
+  81.0701 C6H9+ 1 81.0699 2.35
+  83.0856 C6H11+ 1 83.0855 1.4
+  85.0285 C4H5O2+ 1 85.0284 1.69
+  91.0542 C7H7+ 1 91.0542 0.07
+  95.049 C6H7O+ 1 95.0491 -1.98
+  105.0701 C8H9+ 1 105.0699 1.66
+  107.0491 C7H7O+ 1 107.0491 -0.49
+  109.0648 C7H9O+ 1 109.0648 0.13
+  123.0439 C7H7O2+ 1 123.0441 -1.43
+  133.0652 C9H9O+ 1 133.0648 2.88
+  137.0595 C8H9O2+ 1 137.0597 -1.8
+  151.0752 C9H11O2+ 1 151.0754 -0.9
+  161.0595 C10H9O2+ 1 161.0597 -1.23
+  163.0751 C10H11O2+ 1 163.0754 -1.39
+  174.0675 C11H10O2+ 1 174.0675 -0.26
+  175.0756 C11H11O2+ 1 175.0754 1.29
+  187.0752 C12H11O2+ 1 187.0754 -1.05
+PK$NUM_PEAK: 24
+PK$PEAK: m/z int. rel.int.
+  67.0541 16452.3 22
+  69.0334 43850.7 59
+  69.0698 140279.4 190
+  71.0128 14507.2 19
+  71.0854 11709.9 15
+  73.0284 366468.2 497
+  79.0542 25319.6 34
+  81.0701 26407.9 35
+  83.0856 29535.3 40
+  85.0285 32558.9 44
+  91.0542 28930 39
+  95.049 15972.4 21
+  105.0701 15699.5 21
+  107.0491 14887.2 20
+  109.0648 25210.3 34
+  123.0439 80434.1 109
+  133.0652 11648.5 15
+  137.0595 735358.5 999
+  151.0752 40775.4 55
+  161.0595 102548.1 139
+  163.0751 18916.6 25
+  174.0675 36140.9 49
+  175.0756 41383 56
+  187.0752 16950.1 23
+//
diff --git a/Eawag/MSBNK-EAWAG-ED111709.txt b/Eawag/MSBNK-EAWAG-ED111709.txt
new file mode 100644
index 0000000000..5d515b3671
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED111709.txt
@@ -0,0 +1,79 @@
+ACCESSION: MSBNK-EAWAG-ED111709
+RECORD_TITLE: Bartoloside J; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.6b00351
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1117
+CH$NAME: Bartoloside J
+CH$NAME: (2S,3R,4S,5R)-2-(2-(6-chlorododecyl)-3-hydroxy-5-undecylphenoxy)tetrahydro-2H-pyran-3,4,5-triol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C34H59ClO6
+CH$EXACT_MASS: 598.4000173
+CH$SMILES: CCCCCCCCCCCC1=CC(=C(C(=C1)O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)CCCCCC(CCCCCC)Cl)O
+CH$IUPAC: InChI=1S/C34H59ClO6/c1-3-5-7-9-10-11-12-13-15-19-26-23-29(36)28(22-18-14-17-21-27(35)20-16-8-6-4-2)31(24-26)41-34-33(39)32(38)30(37)25-40-34/h23-24,27,30,32-34,36-39H,3-22,25H2,1-2H3/t27?,30-,32+,33-,34+/m1/s1
+CH$LINK: PUBCHEM CID:132582915
+CH$LINK: INCHIKEY OTVIJJKBILNRLT-WPQQXQCVSA-N
+CH$LINK: CHEMSPIDER 58197380
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 63-632
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 16.675 min
+MS$FOCUSED_ION: BASE_PEAK 467.3645
+MS$FOCUSED_ION: PRECURSOR_M/Z 599.4073
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0079-7900000000-8fc10e8a158c4f327886
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  67.0542 C5H7+ 1 67.0542 -0.95
+  69.0336 C4H5O+ 1 69.0335 1.23
+  69.0699 C5H9+ 1 69.0699 0.11
+  71.0127 C3H3O2+ 1 71.0128 -0.59
+  73.0284 C3H5O2+ 1 73.0284 -0.74
+  79.0543 C6H7+ 1 79.0542 1.02
+  81.07 C6H9+ 1 81.0699 1.69
+  85.0285 C4H5O2+ 1 85.0284 1.6
+  91.0543 C7H7+ 1 91.0542 0.41
+  105.0701 C8H9+ 1 105.0699 1.95
+  107.0494 C7H7O+ 1 107.0491 2
+  109.0645 C7H9O+ 1 109.0648 -2.88
+  123.0436 C7H7O2+ 1 123.0441 -3.91
+  137.0595 C8H9O2+ 1 137.0597 -1.57
+  151.0755 C9H11O2+ 1 151.0754 0.72
+  174.0679 C11H10O2+ 1 174.0675 2.37
+  175.0757 C11H11O2+ 1 175.0754 1.9
+  187.0754 C12H11O2+ 1 187.0754 0.34
+PK$NUM_PEAK: 18
+PK$PEAK: m/z int. rel.int.
+  67.0542 21281 44
+  69.0336 41237.9 86
+  69.0699 83639.1 174
+  71.0127 24250.4 50
+  73.0284 274890.4 574
+  79.0543 41175.6 86
+  81.07 45006.7 94
+  85.0285 34898.9 72
+  91.0543 39284.6 82
+  105.0701 35022.9 73
+  107.0494 10382.3 21
+  109.0645 44043.6 92
+  123.0436 61556.6 128
+  137.0595 477780.5 999
+  151.0755 24613 51
+  174.0679 28718.7 60
+  175.0757 21472.2 44
+  187.0754 12705.3 26
+//
diff --git a/Eawag/MSBNK-EAWAG-ED111751.txt b/Eawag/MSBNK-EAWAG-ED111751.txt
new file mode 100644
index 0000000000..ff1ce34702
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED111751.txt
@@ -0,0 +1,51 @@
+ACCESSION: MSBNK-EAWAG-ED111751
+RECORD_TITLE: Bartoloside J; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.6b00351
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1117
+CH$NAME: Bartoloside J
+CH$NAME: (2S,3R,4S,5R)-2-(2-(6-chlorododecyl)-3-hydroxy-5-undecylphenoxy)tetrahydro-2H-pyran-3,4,5-triol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C34H59ClO6
+CH$EXACT_MASS: 598.4000173
+CH$SMILES: CCCCCCCCCCCC1=CC(=C(C(=C1)O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)CCCCCC(CCCCCC)Cl)O
+CH$IUPAC: InChI=1S/C34H59ClO6/c1-3-5-7-9-10-11-12-13-15-19-26-23-29(36)28(22-18-14-17-21-27(35)20-16-8-6-4-2)31(24-26)41-34-33(39)32(38)30(37)25-40-34/h23-24,27,30,32-34,36-39H,3-22,25H2,1-2H3/t27?,30-,32+,33-,34+/m1/s1
+CH$LINK: PUBCHEM CID:132582915
+CH$LINK: INCHIKEY OTVIJJKBILNRLT-WPQQXQCVSA-N
+CH$LINK: CHEMSPIDER 58197380
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 62-630
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 16.636 min
+MS$FOCUSED_ION: BASE_PEAK 643.3983
+MS$FOCUSED_ION: PRECURSOR_M/Z 597.3927
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00kb-0000790000-d8683d9752dec1b0e9f6
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  429.373 C29H49O2- 2 429.3738 -1.84
+  465.35 C29H50ClO2- 1 465.3505 -1.02
+  561.4155 C34H57O6- 1 561.4161 -1.06
+  597.3924 C34H58ClO6- 1 597.3927 -0.62
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  429.373 120434 107
+  465.35 961764.6 861
+  561.4155 105452.7 94
+  597.3924 1115239.1 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED111752.txt b/Eawag/MSBNK-EAWAG-ED111752.txt
new file mode 100644
index 0000000000..68c6e0d60a
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED111752.txt
@@ -0,0 +1,47 @@
+ACCESSION: MSBNK-EAWAG-ED111752
+RECORD_TITLE: Bartoloside J; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.6b00351
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1117
+CH$NAME: Bartoloside J
+CH$NAME: (2S,3R,4S,5R)-2-(2-(6-chlorododecyl)-3-hydroxy-5-undecylphenoxy)tetrahydro-2H-pyran-3,4,5-triol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C34H59ClO6
+CH$EXACT_MASS: 598.4000173
+CH$SMILES: CCCCCCCCCCCC1=CC(=C(C(=C1)O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)CCCCCC(CCCCCC)Cl)O
+CH$IUPAC: InChI=1S/C34H59ClO6/c1-3-5-7-9-10-11-12-13-15-19-26-23-29(36)28(22-18-14-17-21-27(35)20-16-8-6-4-2)31(24-26)41-34-33(39)32(38)30(37)25-40-34/h23-24,27,30,32-34,36-39H,3-22,25H2,1-2H3/t27?,30-,32+,33-,34+/m1/s1
+CH$LINK: PUBCHEM CID:132582915
+CH$LINK: INCHIKEY OTVIJJKBILNRLT-WPQQXQCVSA-N
+CH$LINK: CHEMSPIDER 58197380
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 62-630
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 16.636 min
+MS$FOCUSED_ION: BASE_PEAK 643.3983
+MS$FOCUSED_ION: PRECURSOR_M/Z 597.3927
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-014i-0000900000-427236551168246d0209
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  429.373 C29H49O2- 2 429.3738 -1.91
+  465.35 C29H50ClO2- 1 465.3505 -0.95
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  429.373 394825 473
+  465.35 833484.2 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED111753.txt b/Eawag/MSBNK-EAWAG-ED111753.txt
new file mode 100644
index 0000000000..f735910d6b
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED111753.txt
@@ -0,0 +1,47 @@
+ACCESSION: MSBNK-EAWAG-ED111753
+RECORD_TITLE: Bartoloside J; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.6b00351
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1117
+CH$NAME: Bartoloside J
+CH$NAME: (2S,3R,4S,5R)-2-(2-(6-chlorododecyl)-3-hydroxy-5-undecylphenoxy)tetrahydro-2H-pyran-3,4,5-triol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C34H59ClO6
+CH$EXACT_MASS: 598.4000173
+CH$SMILES: CCCCCCCCCCCC1=CC(=C(C(=C1)O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)CCCCCC(CCCCCC)Cl)O
+CH$IUPAC: InChI=1S/C34H59ClO6/c1-3-5-7-9-10-11-12-13-15-19-26-23-29(36)28(22-18-14-17-21-27(35)20-16-8-6-4-2)31(24-26)41-34-33(39)32(38)30(37)25-40-34/h23-24,27,30,32-34,36-39H,3-22,25H2,1-2H3/t27?,30-,32+,33-,34+/m1/s1
+CH$LINK: PUBCHEM CID:132582915
+CH$LINK: INCHIKEY OTVIJJKBILNRLT-WPQQXQCVSA-N
+CH$LINK: CHEMSPIDER 58197380
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 62-630
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 16.636 min
+MS$FOCUSED_ION: BASE_PEAK 643.3983
+MS$FOCUSED_ION: PRECURSOR_M/Z 597.3927
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00or-0000900000-69e7d20a75fc2f9de1eb
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  429.3734 C29H49O2- 2 429.3738 -0.99
+  465.3499 C29H50ClO2- 1 465.3505 -1.15
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  429.3734 752393.8 999
+  465.3499 495871.2 658
+//
diff --git a/Eawag/MSBNK-EAWAG-ED111754.txt b/Eawag/MSBNK-EAWAG-ED111754.txt
new file mode 100644
index 0000000000..2073669cdb
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED111754.txt
@@ -0,0 +1,47 @@
+ACCESSION: MSBNK-EAWAG-ED111754
+RECORD_TITLE: Bartoloside J; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.6b00351
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1117
+CH$NAME: Bartoloside J
+CH$NAME: (2S,3R,4S,5R)-2-(2-(6-chlorododecyl)-3-hydroxy-5-undecylphenoxy)tetrahydro-2H-pyran-3,4,5-triol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C34H59ClO6
+CH$EXACT_MASS: 598.4000173
+CH$SMILES: CCCCCCCCCCCC1=CC(=C(C(=C1)O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)CCCCCC(CCCCCC)Cl)O
+CH$IUPAC: InChI=1S/C34H59ClO6/c1-3-5-7-9-10-11-12-13-15-19-26-23-29(36)28(22-18-14-17-21-27(35)20-16-8-6-4-2)31(24-26)41-34-33(39)32(38)30(37)25-40-34/h23-24,27,30,32-34,36-39H,3-22,25H2,1-2H3/t27?,30-,32+,33-,34+/m1/s1
+CH$LINK: PUBCHEM CID:132582915
+CH$LINK: INCHIKEY OTVIJJKBILNRLT-WPQQXQCVSA-N
+CH$LINK: CHEMSPIDER 58197380
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 62-630
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 16.636 min
+MS$FOCUSED_ION: BASE_PEAK 643.3983
+MS$FOCUSED_ION: PRECURSOR_M/Z 597.3927
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-004i-0000900000-3e2bc2fe8cdda49562eb
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  429.3734 C29H49O2- 2 429.3738 -0.99
+  465.3501 C29H50ClO2- 1 465.3505 -0.89
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  429.3734 1117920 999
+  465.3501 162853.8 145
+//
diff --git a/Eawag/MSBNK-EAWAG-ED111755.txt b/Eawag/MSBNK-EAWAG-ED111755.txt
new file mode 100644
index 0000000000..8bdc8038cf
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED111755.txt
@@ -0,0 +1,45 @@
+ACCESSION: MSBNK-EAWAG-ED111755
+RECORD_TITLE: Bartoloside J; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.6b00351
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1117
+CH$NAME: Bartoloside J
+CH$NAME: (2S,3R,4S,5R)-2-(2-(6-chlorododecyl)-3-hydroxy-5-undecylphenoxy)tetrahydro-2H-pyran-3,4,5-triol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C34H59ClO6
+CH$EXACT_MASS: 598.4000173
+CH$SMILES: CCCCCCCCCCCC1=CC(=C(C(=C1)O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)CCCCCC(CCCCCC)Cl)O
+CH$IUPAC: InChI=1S/C34H59ClO6/c1-3-5-7-9-10-11-12-13-15-19-26-23-29(36)28(22-18-14-17-21-27(35)20-16-8-6-4-2)31(24-26)41-34-33(39)32(38)30(37)25-40-34/h23-24,27,30,32-34,36-39H,3-22,25H2,1-2H3/t27?,30-,32+,33-,34+/m1/s1
+CH$LINK: PUBCHEM CID:132582915
+CH$LINK: INCHIKEY OTVIJJKBILNRLT-WPQQXQCVSA-N
+CH$LINK: CHEMSPIDER 58197380
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 62-630
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 16.636 min
+MS$FOCUSED_ION: BASE_PEAK 643.3983
+MS$FOCUSED_ION: PRECURSOR_M/Z 597.3927
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-004i-0000900000-9c23cce25af88bae9388
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  429.3733 C29H49O2- 2 429.3738 -1.2
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  429.3733 1243357.4 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED111756.txt b/Eawag/MSBNK-EAWAG-ED111756.txt
new file mode 100644
index 0000000000..233d3e379f
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED111756.txt
@@ -0,0 +1,47 @@
+ACCESSION: MSBNK-EAWAG-ED111756
+RECORD_TITLE: Bartoloside J; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.6b00351
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1117
+CH$NAME: Bartoloside J
+CH$NAME: (2S,3R,4S,5R)-2-(2-(6-chlorododecyl)-3-hydroxy-5-undecylphenoxy)tetrahydro-2H-pyran-3,4,5-triol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C34H59ClO6
+CH$EXACT_MASS: 598.4000173
+CH$SMILES: CCCCCCCCCCCC1=CC(=C(C(=C1)O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)CCCCCC(CCCCCC)Cl)O
+CH$IUPAC: InChI=1S/C34H59ClO6/c1-3-5-7-9-10-11-12-13-15-19-26-23-29(36)28(22-18-14-17-21-27(35)20-16-8-6-4-2)31(24-26)41-34-33(39)32(38)30(37)25-40-34/h23-24,27,30,32-34,36-39H,3-22,25H2,1-2H3/t27?,30-,32+,33-,34+/m1/s1
+CH$LINK: PUBCHEM CID:132582915
+CH$LINK: INCHIKEY OTVIJJKBILNRLT-WPQQXQCVSA-N
+CH$LINK: CHEMSPIDER 58197380
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 62-630
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 16.636 min
+MS$FOCUSED_ION: BASE_PEAK 643.3983
+MS$FOCUSED_ION: PRECURSOR_M/Z 597.3927
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-004i-0000900000-c7cfdf05c529b3bf5063
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  263.2004 C11H32ClO4- 2 263.1995 3.74
+  429.3733 C29H49O2- 2 429.3738 -1.2
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  263.2004 20784 20
+  429.3733 1014240.9 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED111757.txt b/Eawag/MSBNK-EAWAG-ED111757.txt
new file mode 100644
index 0000000000..237cac4adc
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED111757.txt
@@ -0,0 +1,53 @@
+ACCESSION: MSBNK-EAWAG-ED111757
+RECORD_TITLE: Bartoloside J; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.6b00351
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1117
+CH$NAME: Bartoloside J
+CH$NAME: (2S,3R,4S,5R)-2-(2-(6-chlorododecyl)-3-hydroxy-5-undecylphenoxy)tetrahydro-2H-pyran-3,4,5-triol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C34H59ClO6
+CH$EXACT_MASS: 598.4000173
+CH$SMILES: CCCCCCCCCCCC1=CC(=C(C(=C1)O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)CCCCCC(CCCCCC)Cl)O
+CH$IUPAC: InChI=1S/C34H59ClO6/c1-3-5-7-9-10-11-12-13-15-19-26-23-29(36)28(22-18-14-17-21-27(35)20-16-8-6-4-2)31(24-26)41-34-33(39)32(38)30(37)25-40-34/h23-24,27,30,32-34,36-39H,3-22,25H2,1-2H3/t27?,30-,32+,33-,34+/m1/s1
+CH$LINK: PUBCHEM CID:132582915
+CH$LINK: INCHIKEY OTVIJJKBILNRLT-WPQQXQCVSA-N
+CH$LINK: CHEMSPIDER 58197380
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 62-630
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 16.636 min
+MS$FOCUSED_ION: BASE_PEAK 643.3983
+MS$FOCUSED_ION: PRECURSOR_M/Z 597.3927
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-004i-0010900000-e1624be68c6e3f7aff19
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  97.0661 C6H9O- 1 97.0659 2.01
+  136.053 C8H8O2- 1 136.053 0.49
+  221.1907 C15H25O- 1 221.1911 -1.54
+  263.2001 C11H32ClO4- 1 263.1995 2.46
+  429.373 C29H49O2- 2 429.3738 -1.77
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  97.0661 20763.6 52
+  136.053 15305.5 38
+  221.1907 35087.4 88
+  263.2001 51078.5 128
+  429.373 396118.9 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED111801.txt b/Eawag/MSBNK-EAWAG-ED111801.txt
new file mode 100644
index 0000000000..5320364479
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED111801.txt
@@ -0,0 +1,67 @@
+ACCESSION: MSBNK-EAWAG-ED111801
+RECORD_TITLE: Bartoloside E; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1371/journal.pone.0069562.g001
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1118
+CH$NAME: Bartoloside E
+CH$NAME: (2S,3R,4S,5R)-2-(2-(6-chlorododecyl)-5-(7-chloroundecyl)-3-hydroxyphenoxy)tetrahydro-2H-pyran-3,4,5-triol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C34H58Cl2O6
+CH$EXACT_MASS: 632.3610449
+CH$SMILES: CCCCCCC(CCCCCC1=C(C=C(C=C1O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)CCCCCCC(CCCC)Cl)O)Cl
+CH$IUPAC: InChI=1S/C34H58Cl2O6/c1-3-5-7-12-18-27(36)20-14-10-15-21-28-29(37)22-25(16-11-8-9-13-19-26(35)17-6-4-2)23-31(28)42-34-33(40)32(39)30(38)24-41-34/h22-23,26-27,30,32-34,37-40H,3-21,24H2,1-2H3/t26?,27?,30-,32+,33-,34+/m1/s1
+CH$LINK: PUBCHEM CID:132582908
+CH$LINK: INCHIKEY NYUHMGANIQYFOK-ANHKVXBOSA-N
+CH$LINK: CHEMSPIDER 58197375
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 66-667
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 16.196 min
+MS$FOCUSED_ION: BASE_PEAK 501.3256
+MS$FOCUSED_ION: PRECURSOR_M/Z 633.3683
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0udi-0000090000-5c2b0e2961d719daa15f
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  73.0283 C3H5O2+ 1 73.0284 -1.37
+  115.0388 C5H7O3+ 1 115.039 -1.77
+  133.0492 C5H9O4+ 1 133.0495 -2.3
+  311.176 C18H28ClO2+ 2 311.1772 -3.98
+  371.2212 C23H31O4+ 2 371.2217 -1.19
+  407.1983 C23H32ClO4+ 1 407.1984 -0.1
+  465.3495 C29H50ClO2+ 2 465.3494 0.2
+  501.3257 C29H51Cl2O2+ 1 501.3261 -0.64
+  525.3209 C32H45O6+ 1 525.3211 -0.27
+  561.3711 C34H54ClO4+ 2 561.3705 0.99
+  579.3349 C34H53Cl2O3+ 1 579.3366 -2.91
+  597.3462 C34H55Cl2O4+ 1 597.3472 -1.7
+PK$NUM_PEAK: 12
+PK$PEAK: m/z int. rel.int.
+  73.0283 326568.9 66
+  115.0388 172283.2 35
+  133.0492 53734.2 11
+  311.176 53487.7 10
+  371.2212 148437 30
+  407.1983 301836.1 61
+  465.3495 217634.4 44
+  501.3257 4876344 999
+  525.3209 461354.8 94
+  561.3711 511954.7 104
+  579.3349 185361.1 37
+  597.3462 932849.9 191
+//
diff --git a/Eawag/MSBNK-EAWAG-ED111802.txt b/Eawag/MSBNK-EAWAG-ED111802.txt
new file mode 100644
index 0000000000..32290a4672
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED111802.txt
@@ -0,0 +1,67 @@
+ACCESSION: MSBNK-EAWAG-ED111802
+RECORD_TITLE: Bartoloside E; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1371/journal.pone.0069562.g001
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1118
+CH$NAME: Bartoloside E
+CH$NAME: (2S,3R,4S,5R)-2-(2-(6-chlorododecyl)-5-(7-chloroundecyl)-3-hydroxyphenoxy)tetrahydro-2H-pyran-3,4,5-triol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C34H58Cl2O6
+CH$EXACT_MASS: 632.3610449
+CH$SMILES: CCCCCCC(CCCCCC1=C(C=C(C=C1O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)CCCCCCC(CCCC)Cl)O)Cl
+CH$IUPAC: InChI=1S/C34H58Cl2O6/c1-3-5-7-12-18-27(36)20-14-10-15-21-28-29(37)22-25(16-11-8-9-13-19-26(35)17-6-4-2)23-31(28)42-34-33(40)32(39)30(38)24-41-34/h22-23,26-27,30,32-34,37-40H,3-21,24H2,1-2H3/t26?,27?,30-,32+,33-,34+/m1/s1
+CH$LINK: PUBCHEM CID:132582908
+CH$LINK: INCHIKEY NYUHMGANIQYFOK-ANHKVXBOSA-N
+CH$LINK: CHEMSPIDER 58197375
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 66-667
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 16.196 min
+MS$FOCUSED_ION: BASE_PEAK 501.3256
+MS$FOCUSED_ION: PRECURSOR_M/Z 633.3683
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0udi-1001290000-4fff83792b68f6cd4544
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  73.0284 C3H5O2+ 1 73.0284 -0.22
+  115.0388 C5H7O3+ 1 115.039 -1.5
+  311.1766 C18H28ClO2+ 2 311.1772 -2.12
+  371.2208 C23H31O4+ 2 371.2217 -2.34
+  407.1987 C23H32ClO4+ 2 407.1984 0.72
+  429.3724 C29H49O2+ 2 429.3727 -0.76
+  465.3486 C29H50ClO2+ 2 465.3494 -1.7
+  501.3259 C29H51Cl2O2+ 1 501.3261 -0.28
+  525.3189 C32H45O6+ 1 525.3211 -4.11
+  561.3706 C34H54ClO4+ 2 561.3705 0.23
+  597.3443 C34H55Cl2O4+ 1 597.3472 -4.87
+  615.3559 C34H57Cl2O5+ 1 615.3578 -3.03
+PK$NUM_PEAK: 12
+PK$PEAK: m/z int. rel.int.
+  73.0284 796082.6 247
+  115.0388 244555.3 76
+  311.1766 346732.5 107
+  371.2208 332853.7 103
+  407.1987 318306.7 99
+  429.3724 96340.7 29
+  465.3486 805782.2 250
+  501.3259 3210553 999
+  525.3189 261137.1 81
+  561.3706 211924.5 65
+  597.3443 184502.1 57
+  615.3559 91022.6 28
+//
diff --git a/Eawag/MSBNK-EAWAG-ED111803.txt b/Eawag/MSBNK-EAWAG-ED111803.txt
new file mode 100644
index 0000000000..4494d1a3c5
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED111803.txt
@@ -0,0 +1,73 @@
+ACCESSION: MSBNK-EAWAG-ED111803
+RECORD_TITLE: Bartoloside E; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1371/journal.pone.0069562.g001
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1118
+CH$NAME: Bartoloside E
+CH$NAME: (2S,3R,4S,5R)-2-(2-(6-chlorododecyl)-5-(7-chloroundecyl)-3-hydroxyphenoxy)tetrahydro-2H-pyran-3,4,5-triol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C34H58Cl2O6
+CH$EXACT_MASS: 632.3610449
+CH$SMILES: CCCCCCC(CCCCCC1=C(C=C(C=C1O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)CCCCCCC(CCCC)Cl)O)Cl
+CH$IUPAC: InChI=1S/C34H58Cl2O6/c1-3-5-7-12-18-27(36)20-14-10-15-21-28-29(37)22-25(16-11-8-9-13-19-26(35)17-6-4-2)23-31(28)42-34-33(40)32(39)30(38)24-41-34/h22-23,26-27,30,32-34,37-40H,3-21,24H2,1-2H3/t26?,27?,30-,32+,33-,34+/m1/s1
+CH$LINK: PUBCHEM CID:132582908
+CH$LINK: INCHIKEY NYUHMGANIQYFOK-ANHKVXBOSA-N
+CH$LINK: CHEMSPIDER 58197375
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 66-667
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 16.196 min
+MS$FOCUSED_ION: BASE_PEAK 501.3256
+MS$FOCUSED_ION: PRECURSOR_M/Z 633.3683
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0wvi-7247980000-48908fd8d7f737728187
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  69.0334 C4H5O+ 1 69.0335 -1.2
+  73.0284 C3H5O2+ 1 73.0284 -0.53
+  87.0439 C4H7O2+ 1 87.0441 -1.91
+  97.0285 C5H5O2+ 1 97.0284 0.55
+  115.0386 C5H7O3+ 1 115.039 -2.9
+  133.0492 C5H9O4+ 1 133.0495 -2.3
+  137.0596 C8H9O2+ 1 137.0597 -0.68
+  161.0599 C10H9O2+ 1 161.0597 0.95
+  275.1996 C18H27O2+ 2 275.2006 -3.59
+  311.1766 C18H28ClO2+ 1 311.1772 -1.92
+  335.1755 C14H33Cl2O4+ 1 335.175 1.32
+  371.2216 C23H31O4+ 1 371.2217 -0.12
+  429.372 C29H49O2+ 2 429.3727 -1.55
+  465.3487 C29H50ClO2+ 2 465.3494 -1.57
+  501.3257 C29H51Cl2O2+ 1 501.3261 -0.7
+PK$NUM_PEAK: 15
+PK$PEAK: m/z int. rel.int.
+  69.0334 34583.9 23
+  73.0284 1137566.9 758
+  87.0439 26016.9 17
+  97.0285 80806.1 53
+  115.0386 245054.5 163
+  133.0492 35530.5 23
+  137.0596 75822.4 50
+  161.0599 41909 27
+  275.1996 733267.1 488
+  311.1766 857633.1 571
+  335.1755 148552.8 99
+  371.2216 358655.3 239
+  429.372 439647.7 293
+  465.3487 1117988.9 745
+  501.3257 1498567.5 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED111804.txt b/Eawag/MSBNK-EAWAG-ED111804.txt
new file mode 100644
index 0000000000..e62d585785
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED111804.txt
@@ -0,0 +1,89 @@
+ACCESSION: MSBNK-EAWAG-ED111804
+RECORD_TITLE: Bartoloside E; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1371/journal.pone.0069562.g001
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1118
+CH$NAME: Bartoloside E
+CH$NAME: (2S,3R,4S,5R)-2-(2-(6-chlorododecyl)-5-(7-chloroundecyl)-3-hydroxyphenoxy)tetrahydro-2H-pyran-3,4,5-triol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C34H58Cl2O6
+CH$EXACT_MASS: 632.3610449
+CH$SMILES: CCCCCCC(CCCCCC1=C(C=C(C=C1O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)CCCCCCC(CCCC)Cl)O)Cl
+CH$IUPAC: InChI=1S/C34H58Cl2O6/c1-3-5-7-12-18-27(36)20-14-10-15-21-28-29(37)22-25(16-11-8-9-13-19-26(35)17-6-4-2)23-31(28)42-34-33(40)32(39)30(38)24-41-34/h22-23,26-27,30,32-34,37-40H,3-21,24H2,1-2H3/t26?,27?,30-,32+,33-,34+/m1/s1
+CH$LINK: PUBCHEM CID:132582908
+CH$LINK: INCHIKEY NYUHMGANIQYFOK-ANHKVXBOSA-N
+CH$LINK: CHEMSPIDER 58197375
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 66-667
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 16.196 min
+MS$FOCUSED_ION: BASE_PEAK 501.3256
+MS$FOCUSED_ION: PRECURSOR_M/Z 633.3683
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00b9-7693510000-777b6ed2839d4115dc9f
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  69.0334 C4H5O+ 1 69.0335 -0.65
+  73.0284 C3H5O2+ 1 73.0284 -0.43
+  85.0283 C4H5O2+ 1 85.0284 -1.36
+  97.0282 C5H5O2+ 1 97.0284 -1.65
+  115.0388 C5H7O3+ 1 115.039 -1.5
+  137.0594 C8H9O2+ 1 137.0597 -2.46
+  161.0595 C10H9O2+ 1 161.0597 -1.04
+  163.075 C10H11O2+ 1 163.0754 -2.04
+  171.0203 C8H8ClO2+ 1 171.0207 -2.77
+  177.0906 C11H13O2+ 1 177.091 -2.2
+  179.1063 C11H15O2+ 1 179.1067 -1.88
+  195.0198 C10H8ClO2+ 1 195.0207 -4.62
+  233.0801 C13H13O4+ 1 233.0808 -3.33
+  259.0955 C9H20ClO6+ 2 259.0943 4.58
+  267.0416 C13H12ClO4+ 1 267.0419 -1.08
+  273.1119 C16H17O4+ 1 273.1121 -0.81
+  275.1996 C18H27O2+ 2 275.2006 -3.48
+  299.1999 C20H27O2+ 1 299.2006 -2.27
+  311.1762 C18H28ClO2+ 2 311.1772 -3.2
+  317.2109 C20H29O3+ 1 317.2111 -0.6
+  429.3721 C29H49O2+ 2 429.3727 -1.4
+  465.3489 C29H50ClO2+ 2 465.3494 -1.11
+  501.3257 C29H51Cl2O2+ 1 501.3261 -0.64
+PK$NUM_PEAK: 23
+PK$PEAK: m/z int. rel.int.
+  69.0334 57748.3 41
+  73.0284 1387948.6 999
+  85.0283 58765.8 42
+  97.0282 77921.5 56
+  115.0388 239077 172
+  137.0594 356827 256
+  161.0595 128814.1 92
+  163.075 151976.5 109
+  171.0203 116698.5 83
+  177.0906 233228.7 167
+  179.1063 34683.8 24
+  195.0198 110329.3 79
+  233.0801 202523.4 145
+  259.0955 46045.5 33
+  267.0416 90321.1 65
+  273.1119 95639.6 68
+  275.1996 1312835 944
+  299.1999 157765 113
+  311.1762 699716.1 503
+  317.2109 56775.4 40
+  429.3721 478018.9 344
+  465.3489 588706.2 423
+  501.3257 308913.9 222
+//
diff --git a/Eawag/MSBNK-EAWAG-ED111805.txt b/Eawag/MSBNK-EAWAG-ED111805.txt
new file mode 100644
index 0000000000..4b67052432
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED111805.txt
@@ -0,0 +1,99 @@
+ACCESSION: MSBNK-EAWAG-ED111805
+RECORD_TITLE: Bartoloside E; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1371/journal.pone.0069562.g001
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1118
+CH$NAME: Bartoloside E
+CH$NAME: (2S,3R,4S,5R)-2-(2-(6-chlorododecyl)-5-(7-chloroundecyl)-3-hydroxyphenoxy)tetrahydro-2H-pyran-3,4,5-triol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C34H58Cl2O6
+CH$EXACT_MASS: 632.3610449
+CH$SMILES: CCCCCCC(CCCCCC1=C(C=C(C=C1O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)CCCCCCC(CCCC)Cl)O)Cl
+CH$IUPAC: InChI=1S/C34H58Cl2O6/c1-3-5-7-12-18-27(36)20-14-10-15-21-28-29(37)22-25(16-11-8-9-13-19-26(35)17-6-4-2)23-31(28)42-34-33(40)32(39)30(38)24-41-34/h22-23,26-27,30,32-34,37-40H,3-21,24H2,1-2H3/t26?,27?,30-,32+,33-,34+/m1/s1
+CH$LINK: PUBCHEM CID:132582908
+CH$LINK: INCHIKEY NYUHMGANIQYFOK-ANHKVXBOSA-N
+CH$LINK: CHEMSPIDER 58197375
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 66-667
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 16.196 min
+MS$FOCUSED_ION: BASE_PEAK 501.3256
+MS$FOCUSED_ION: PRECURSOR_M/Z 633.3683
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00g0-5930000000-89ae07699b4bd89138e4
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  69.0334 C4H5O+ 1 69.0335 -0.98
+  69.0698 C5H9+ 1 69.0699 -1.22
+  71.0127 C3H3O2+ 1 71.0128 -0.26
+  73.0284 C3H5O2+ 1 73.0284 -0.32
+  83.0855 C6H11+ 1 83.0855 -0.16
+  85.0285 C4H5O2+ 1 85.0284 0.52
+  95.0854 C7H11+ 1 95.0855 -0.95
+  97.0283 C5H5O2+ 1 97.0284 -0.79
+  97.1012 C7H13+ 1 97.1012 0.06
+  115.0389 C5H7O3+ 1 115.039 -0.44
+  123.0437 C7H7O2+ 1 123.0441 -2.85
+  135.044 C8H7O2+ 1 135.0441 -0.59
+  137.0595 C8H9O2+ 1 137.0597 -1.35
+  149.0594 C9H9O2+ 1 149.0597 -2.28
+  151.0749 C9H11O2+ 1 151.0754 -3.32
+  159.0439 C10H7O2+ 1 159.0441 -1.18
+  161.0595 C10H9O2+ 1 161.0597 -1.04
+  163.0752 C10H11O2+ 1 163.0754 -1.11
+  171.02 C8H8ClO2+ 1 171.0207 -4.29
+  175.075 C11H11O2+ 1 175.0754 -1.93
+  177.0907 C11H13O2+ 1 177.091 -1.52
+  187.0747 C12H11O2+ 1 187.0754 -3.58
+  191.1062 C12H15O2+ 1 191.1067 -2.41
+  195.0202 C10H8ClO2+ 1 195.0207 -2.98
+  201.0904 C13H13O2+ 1 201.091 -2.84
+  233.0802 C13H13O4+ 1 233.0808 -2.55
+  273.112 C16H17O4+ 1 273.1121 -0.59
+  275.1997 C18H27O2+ 2 275.2006 -3.03
+PK$NUM_PEAK: 28
+PK$PEAK: m/z int. rel.int.
+  69.0334 78547.2 61
+  69.0698 122960.3 95
+  71.0127 26262.2 20
+  73.0284 1283666.4 999
+  83.0855 87592.5 68
+  85.0285 84720.6 65
+  95.0854 51132.5 39
+  97.0283 109332.8 85
+  97.1012 89107.8 69
+  115.0389 91164.3 70
+  123.0437 72819.8 56
+  135.044 36772.4 28
+  137.0595 1029065.7 800
+  149.0594 52828.8 41
+  151.0749 65131.2 50
+  159.0439 35927.7 27
+  161.0595 223551.9 173
+  163.0752 369940.5 287
+  171.02 191523.6 149
+  175.075 43423.5 33
+  177.0907 518183 403
+  187.0747 46011.3 35
+  191.1062 139087 108
+  195.0202 182352.1 141
+  201.0904 67715.3 52
+  233.0802 198162.8 154
+  273.112 99104.6 77
+  275.1997 783249.2 609
+//
diff --git a/Eawag/MSBNK-EAWAG-ED111806.txt b/Eawag/MSBNK-EAWAG-ED111806.txt
new file mode 100644
index 0000000000..7b7860c7fd
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED111806.txt
@@ -0,0 +1,93 @@
+ACCESSION: MSBNK-EAWAG-ED111806
+RECORD_TITLE: Bartoloside E; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1371/journal.pone.0069562.g001
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1118
+CH$NAME: Bartoloside E
+CH$NAME: (2S,3R,4S,5R)-2-(2-(6-chlorododecyl)-5-(7-chloroundecyl)-3-hydroxyphenoxy)tetrahydro-2H-pyran-3,4,5-triol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C34H58Cl2O6
+CH$EXACT_MASS: 632.3610449
+CH$SMILES: CCCCCCC(CCCCCC1=C(C=C(C=C1O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)CCCCCCC(CCCC)Cl)O)Cl
+CH$IUPAC: InChI=1S/C34H58Cl2O6/c1-3-5-7-12-18-27(36)20-14-10-15-21-28-29(37)22-25(16-11-8-9-13-19-26(35)17-6-4-2)23-31(28)42-34-33(40)32(39)30(38)24-41-34/h22-23,26-27,30,32-34,37-40H,3-21,24H2,1-2H3/t26?,27?,30-,32+,33-,34+/m1/s1
+CH$LINK: PUBCHEM CID:132582908
+CH$LINK: INCHIKEY NYUHMGANIQYFOK-ANHKVXBOSA-N
+CH$LINK: CHEMSPIDER 58197375
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 66-667
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 16.196 min
+MS$FOCUSED_ION: BASE_PEAK 501.3256
+MS$FOCUSED_ION: PRECURSOR_M/Z 633.3683
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00dr-6910000000-a517f9ab76bf240ae0f1
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  67.0542 C5H7+ 1 67.0542 -0.38
+  69.0335 C4H5O+ 1 69.0335 0.45
+  69.0698 C5H9+ 1 69.0699 -1.66
+  71.0126 C3H3O2+ 1 71.0128 -2.41
+  73.0284 C3H5O2+ 1 73.0284 -0.53
+  83.0854 C6H11+ 1 83.0855 -1.9
+  85.0284 C4H5O2+ 1 85.0284 -0.38
+  95.0853 C7H11+ 1 95.0855 -2.88
+  97.0282 C5H5O2+ 1 97.0284 -2.04
+  97.1011 C7H13+ 1 97.1012 -0.57
+  123.044 C7H7O2+ 1 123.0441 -0.31
+  135.0442 C8H7O2+ 1 135.0441 0.77
+  137.0595 C8H9O2+ 1 137.0597 -1.24
+  147.0441 C9H7O2+ 1 147.0441 0.27
+  149.0595 C9H9O2+ 1 149.0597 -1.36
+  159.0437 C10H7O2+ 1 159.0441 -1.94
+  161.0596 C10H9O2+ 1 161.0597 -0.38
+  163.0754 C10H11O2+ 1 163.0754 0.11
+  175.0748 C11H11O2+ 1 175.0754 -2.98
+  177.0906 C11H13O2+ 1 177.091 -2.29
+  191.1061 C12H15O2+ 1 191.1067 -3.05
+  195.0205 C10H8ClO2+ 1 195.0207 -1.18
+  201.0905 C13H13O2+ 1 201.091 -2.61
+  233.0798 C13H13O4+ 2 233.0808 -4.45
+  275.1996 C18H27O2+ 2 275.2006 -3.36
+PK$NUM_PEAK: 25
+PK$PEAK: m/z int. rel.int.
+  67.0542 32936.6 30
+  69.0335 90955.6 83
+  69.0698 218423.6 200
+  71.0126 27876.7 25
+  73.0284 1086029.2 999
+  83.0854 75741.2 69
+  85.0284 80400.9 73
+  95.0853 68718.2 63
+  97.0282 55415.1 50
+  97.1011 63123.9 58
+  123.044 130329 119
+  135.0442 128849.8 118
+  137.0595 1037799.1 954
+  147.0441 32586.6 29
+  149.0595 71833.5 66
+  159.0437 39820.4 36
+  161.0596 237947.1 218
+  163.0754 287824.3 264
+  175.0748 85953 79
+  177.0906 357437.7 328
+  191.1061 76092.7 69
+  195.0205 79621.2 73
+  201.0905 68529.3 63
+  233.0798 134690.1 123
+  275.1996 147854.3 136
+//
diff --git a/Eawag/MSBNK-EAWAG-ED111807.txt b/Eawag/MSBNK-EAWAG-ED111807.txt
new file mode 100644
index 0000000000..c37847f4c3
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED111807.txt
@@ -0,0 +1,87 @@
+ACCESSION: MSBNK-EAWAG-ED111807
+RECORD_TITLE: Bartoloside E; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1371/journal.pone.0069562.g001
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1118
+CH$NAME: Bartoloside E
+CH$NAME: (2S,3R,4S,5R)-2-(2-(6-chlorododecyl)-5-(7-chloroundecyl)-3-hydroxyphenoxy)tetrahydro-2H-pyran-3,4,5-triol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C34H58Cl2O6
+CH$EXACT_MASS: 632.3610449
+CH$SMILES: CCCCCCC(CCCCCC1=C(C=C(C=C1O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)CCCCCCC(CCCC)Cl)O)Cl
+CH$IUPAC: InChI=1S/C34H58Cl2O6/c1-3-5-7-12-18-27(36)20-14-10-15-21-28-29(37)22-25(16-11-8-9-13-19-26(35)17-6-4-2)23-31(28)42-34-33(40)32(39)30(38)24-41-34/h22-23,26-27,30,32-34,37-40H,3-21,24H2,1-2H3/t26?,27?,30-,32+,33-,34+/m1/s1
+CH$LINK: PUBCHEM CID:132582908
+CH$LINK: INCHIKEY NYUHMGANIQYFOK-ANHKVXBOSA-N
+CH$LINK: CHEMSPIDER 58197375
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 66-667
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 16.196 min
+MS$FOCUSED_ION: BASE_PEAK 501.3256
+MS$FOCUSED_ION: PRECURSOR_M/Z 633.3683
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00dr-6900000000-607b6a7939a2ed9335ed
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  67.0542 C5H7+ 1 67.0542 -0.61
+  69.0337 C4H5O+ 1 69.0335 2.77
+  69.0698 C5H9+ 1 69.0699 -0.55
+  73.0284 C3H5O2+ 1 73.0284 -0.32
+  81.0701 C6H9+ 1 81.0699 2.35
+  83.0854 C6H11+ 1 83.0855 -1.26
+  85.0284 C4H5O2+ 1 85.0284 -0.64
+  95.0857 C7H11+ 1 95.0855 1.78
+  123.0439 C7H7O2+ 1 123.0441 -1.55
+  135.0439 C8H7O2+ 1 135.0441 -1.49
+  137.0595 C8H9O2+ 1 137.0597 -1.69
+  149.0597 C9H9O2+ 1 149.0597 -0.03
+  159.0438 C10H7O2+ 1 159.0441 -1.75
+  161.0593 C10H9O2+ 1 161.0597 -2.56
+  163.0751 C10H11O2+ 1 163.0754 -1.39
+  171.0204 C8H8ClO2+ 1 171.0207 -1.79
+  175.0749 C11H11O2+ 1 175.0754 -2.72
+  177.0908 C11H13O2+ 1 177.091 -0.91
+  187.0754 C12H11O2+ 1 187.0754 0.18
+  191.1064 C12H15O2+ 1 191.1067 -1.14
+  195.0203 C10H8ClO2+ 1 195.0207 -2.2
+  201.0908 C13H13O2+ 1 201.091 -1.24
+PK$NUM_PEAK: 22
+PK$PEAK: m/z int. rel.int.
+  67.0542 25168.5 27
+  69.0337 83817.7 92
+  69.0698 209016.2 230
+  73.0284 905455.1 999
+  81.0701 61007.1 67
+  83.0854 80624.5 88
+  85.0284 87375.6 96
+  95.0857 53281.2 58
+  123.0439 153435 169
+  135.0439 113912.4 125
+  137.0595 875299.1 965
+  149.0597 69490 76
+  159.0438 49778.7 54
+  161.0593 202113.5 222
+  163.0751 212383.4 234
+  171.0204 84082.8 92
+  175.0749 93282.1 102
+  177.0908 178596 197
+  187.0754 77717.8 85
+  191.1064 53739.8 59
+  195.0203 53808.5 59
+  201.0908 37311.1 41
+//
diff --git a/Eawag/MSBNK-EAWAG-ED111808.txt b/Eawag/MSBNK-EAWAG-ED111808.txt
new file mode 100644
index 0000000000..d7b34186da
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED111808.txt
@@ -0,0 +1,99 @@
+ACCESSION: MSBNK-EAWAG-ED111808
+RECORD_TITLE: Bartoloside E; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1371/journal.pone.0069562.g001
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1118
+CH$NAME: Bartoloside E
+CH$NAME: (2S,3R,4S,5R)-2-(2-(6-chlorododecyl)-5-(7-chloroundecyl)-3-hydroxyphenoxy)tetrahydro-2H-pyran-3,4,5-triol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C34H58Cl2O6
+CH$EXACT_MASS: 632.3610449
+CH$SMILES: CCCCCCC(CCCCCC1=C(C=C(C=C1O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)CCCCCCC(CCCC)Cl)O)Cl
+CH$IUPAC: InChI=1S/C34H58Cl2O6/c1-3-5-7-12-18-27(36)20-14-10-15-21-28-29(37)22-25(16-11-8-9-13-19-26(35)17-6-4-2)23-31(28)42-34-33(40)32(39)30(38)24-41-34/h22-23,26-27,30,32-34,37-40H,3-21,24H2,1-2H3/t26?,27?,30-,32+,33-,34+/m1/s1
+CH$LINK: PUBCHEM CID:132582908
+CH$LINK: INCHIKEY NYUHMGANIQYFOK-ANHKVXBOSA-N
+CH$LINK: CHEMSPIDER 58197375
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 66-667
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 16.196 min
+MS$FOCUSED_ION: BASE_PEAK 501.3256
+MS$FOCUSED_ION: PRECURSOR_M/Z 633.3683
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0079-6900000000-f5a6c0e23a81b9086b57
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  67.0544 C5H7+ 1 67.0542 1.9
+  69.0335 C4H5O+ 1 69.0335 -0.54
+  69.0698 C5H9+ 1 69.0699 -0.44
+  73.0283 C3H5O2+ 1 73.0284 -1.05
+  81.0697 C6H9+ 1 81.0699 -2.36
+  83.0857 C6H11+ 1 83.0855 1.5
+  85.0284 C4H5O2+ 1 85.0284 -0.47
+  91.0542 C7H7+ 1 91.0542 -0.51
+  93.07 C7H9+ 1 93.0699 1.61
+  95.0856 C7H11+ 1 95.0855 0.73
+  105.07 C8H9+ 1 105.0699 1.58
+  109.0648 C7H9O+ 1 109.0648 -0.29
+  121.0648 C8H9O+ 1 121.0648 -0.05
+  123.0436 C7H7O2+ 1 123.0441 -3.78
+  135.0438 C8H7O2+ 1 135.0441 -2.17
+  137.0595 C8H9O2+ 1 137.0597 -1.69
+  145.0647 C10H9O+ 1 145.0648 -0.43
+  147.0436 C9H7O2+ 1 147.0441 -3.05
+  149.0595 C9H9O2+ 1 149.0597 -1.26
+  151.0757 C9H11O2+ 1 151.0754 2.23
+  159.0443 C10H7O2+ 1 159.0441 1.51
+  161.0592 C10H9O2+ 1 161.0597 -3.41
+  163.0751 C10H11O2+ 1 163.0754 -1.58
+  171.0207 C8H8ClO2+ 1 171.0207 0.08
+  173.0594 C11H9O2+ 1 173.0597 -1.92
+  174.0675 C11H10O2+ 1 174.0675 -0.26
+  175.075 C11H11O2+ 1 175.0754 -1.85
+  177.0904 C11H13O2+ 1 177.091 -3.58
+PK$NUM_PEAK: 28
+PK$PEAK: m/z int. rel.int.
+  67.0544 54487.7 81
+  69.0335 93156 139
+  69.0698 198909.8 298
+  73.0283 663724.9 994
+  81.0697 69149.4 103
+  83.0857 55291.5 82
+  85.0284 69825.8 104
+  91.0542 50760.8 76
+  93.07 22759.6 34
+  95.0856 30843.5 46
+  105.07 34486.5 51
+  109.0648 33272.2 49
+  121.0648 33637.5 50
+  123.0436 137880 206
+  135.0438 91529.5 137
+  137.0595 666614 999
+  145.0647 37070.8 55
+  147.0436 33910.2 50
+  149.0595 50305.7 75
+  151.0757 45037.4 67
+  159.0443 31540.2 47
+  161.0592 139619.9 209
+  163.0751 126286.9 189
+  171.0207 53690.5 80
+  173.0594 29508.5 44
+  174.0675 45468.4 68
+  175.075 69803.6 104
+  177.0904 104202.8 156
+//
diff --git a/Eawag/MSBNK-EAWAG-ED111809.txt b/Eawag/MSBNK-EAWAG-ED111809.txt
new file mode 100644
index 0000000000..50242a1950
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED111809.txt
@@ -0,0 +1,93 @@
+ACCESSION: MSBNK-EAWAG-ED111809
+RECORD_TITLE: Bartoloside E; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1371/journal.pone.0069562.g001
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1118
+CH$NAME: Bartoloside E
+CH$NAME: (2S,3R,4S,5R)-2-(2-(6-chlorododecyl)-5-(7-chloroundecyl)-3-hydroxyphenoxy)tetrahydro-2H-pyran-3,4,5-triol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C34H58Cl2O6
+CH$EXACT_MASS: 632.3610449
+CH$SMILES: CCCCCCC(CCCCCC1=C(C=C(C=C1O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)CCCCCCC(CCCC)Cl)O)Cl
+CH$IUPAC: InChI=1S/C34H58Cl2O6/c1-3-5-7-12-18-27(36)20-14-10-15-21-28-29(37)22-25(16-11-8-9-13-19-26(35)17-6-4-2)23-31(28)42-34-33(40)32(39)30(38)24-41-34/h22-23,26-27,30,32-34,37-40H,3-21,24H2,1-2H3/t26?,27?,30-,32+,33-,34+/m1/s1
+CH$LINK: PUBCHEM CID:132582908
+CH$LINK: INCHIKEY NYUHMGANIQYFOK-ANHKVXBOSA-N
+CH$LINK: CHEMSPIDER 58197375
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 66-667
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 16.196 min
+MS$FOCUSED_ION: BASE_PEAK 501.3256
+MS$FOCUSED_ION: PRECURSOR_M/Z 633.3683
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00dr-6900000000-df97cbf0ac0fab1366ae
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  67.0544 C5H7+ 1 67.0542 2.46
+  69.0335 C4H5O+ 1 69.0335 0.78
+  69.0699 C5H9+ 1 69.0699 0.55
+  71.0128 C3H3O2+ 1 71.0128 0.17
+  73.0284 C3H5O2+ 1 73.0284 -0.22
+  81.0698 C6H9+ 1 81.0699 -0.95
+  85.0285 C4H5O2+ 1 85.0284 1.69
+  91.0542 C7H7+ 1 91.0542 -0.18
+  95.0856 C7H11+ 1 95.0855 0.98
+  105.0698 C8H9+ 1 105.0699 -0.81
+  117.07 C9H9+ 1 117.0699 1.13
+  121.0648 C8H9O+ 1 121.0648 -0.05
+  123.044 C7H7O2+ 1 123.0441 -0.5
+  133.0653 C9H9O+ 1 133.0648 3.46
+  135.0441 C8H7O2+ 1 135.0441 0.2
+  135.0805 C9H11O+ 1 135.0804 0.25
+  137.0596 C8H9O2+ 1 137.0597 -0.57
+  145.0647 C10H9O+ 1 145.0648 -0.95
+  149.0596 C9H9O2+ 1 149.0597 -0.74
+  151.0751 C9H11O2+ 1 151.0754 -1.61
+  161.0594 C10H9O2+ 1 161.0597 -1.9
+  163.0754 C10H11O2+ 1 163.0754 0.02
+  173.0595 C11H9O2+ 1 173.0597 -1.3
+  174.0668 C11H10O2+ 1 174.0675 -3.94
+  175.0752 C11H11O2+ 1 175.0754 -1.06
+PK$NUM_PEAK: 25
+PK$PEAK: m/z int. rel.int.
+  67.0544 52913 99
+  69.0335 86446.5 161
+  69.0699 143565.2 268
+  71.0128 37121.8 69
+  73.0284 506380.6 947
+  81.0698 82403.9 154
+  85.0285 61295.1 114
+  91.0542 96290.6 180
+  95.0856 44257.9 82
+  105.0698 44775.7 83
+  117.07 41811.7 78
+  121.0648 47323.4 88
+  123.044 115436.1 215
+  133.0653 34309.5 64
+  135.0441 80644.1 150
+  135.0805 18642.3 34
+  137.0596 533896.1 999
+  145.0647 58020.9 108
+  149.0596 48576.3 90
+  151.0751 36363 68
+  161.0594 155996.8 291
+  163.0754 77940.8 145
+  173.0595 27033.3 50
+  174.0668 68291.3 127
+  175.0752 40031.3 74
+//
diff --git a/Eawag/MSBNK-EAWAG-ED111851.txt b/Eawag/MSBNK-EAWAG-ED111851.txt
new file mode 100644
index 0000000000..4fdbac4d3e
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED111851.txt
@@ -0,0 +1,51 @@
+ACCESSION: MSBNK-EAWAG-ED111851
+RECORD_TITLE: Bartoloside E; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1371/journal.pone.0069562.g001
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1118
+CH$NAME: Bartoloside E
+CH$NAME: (2S,3R,4S,5R)-2-(2-(6-chlorododecyl)-5-(7-chloroundecyl)-3-hydroxyphenoxy)tetrahydro-2H-pyran-3,4,5-triol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C34H58Cl2O6
+CH$EXACT_MASS: 632.3610449
+CH$SMILES: CCCCCCC(CCCCCC1=C(C=C(C=C1O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)CCCCCCC(CCCC)Cl)O)Cl
+CH$IUPAC: InChI=1S/C34H58Cl2O6/c1-3-5-7-12-18-27(36)20-14-10-15-21-28-29(37)22-25(16-11-8-9-13-19-26(35)17-6-4-2)23-31(28)42-34-33(40)32(39)30(38)24-41-34/h22-23,26-27,30,32-34,37-40H,3-21,24H2,1-2H3/t26?,27?,30-,32+,33-,34+/m1/s1
+CH$LINK: PUBCHEM CID:132582908
+CH$LINK: INCHIKEY NYUHMGANIQYFOK-ANHKVXBOSA-N
+CH$LINK: CHEMSPIDER 58197375
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 66-665
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 16.183 min
+MS$FOCUSED_ION: BASE_PEAK 677.3604
+MS$FOCUSED_ION: PRECURSOR_M/Z 631.3538
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-001j-0000419000-2dbbd509153b2d72ab60
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  463.335 C29H48ClO2- 1 463.3348 0.41
+  499.3119 C29H49Cl2O2- 1 499.3115 0.74
+  595.3775 C34H56ClO6- 1 595.3771 0.75
+  631.3544 C34H57Cl2O6- 1 631.3538 1.06
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  463.335 117594.8 50
+  499.3119 1056852.5 451
+  595.3775 287833.1 122
+  631.3544 2339114.5 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED111852.txt b/Eawag/MSBNK-EAWAG-ED111852.txt
new file mode 100644
index 0000000000..39d031f9bd
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED111852.txt
@@ -0,0 +1,49 @@
+ACCESSION: MSBNK-EAWAG-ED111852
+RECORD_TITLE: Bartoloside E; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1371/journal.pone.0069562.g001
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1118
+CH$NAME: Bartoloside E
+CH$NAME: (2S,3R,4S,5R)-2-(2-(6-chlorododecyl)-5-(7-chloroundecyl)-3-hydroxyphenoxy)tetrahydro-2H-pyran-3,4,5-triol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C34H58Cl2O6
+CH$EXACT_MASS: 632.3610449
+CH$SMILES: CCCCCCC(CCCCCC1=C(C=C(C=C1O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)CCCCCCC(CCCC)Cl)O)Cl
+CH$IUPAC: InChI=1S/C34H58Cl2O6/c1-3-5-7-12-18-27(36)20-14-10-15-21-28-29(37)22-25(16-11-8-9-13-19-26(35)17-6-4-2)23-31(28)42-34-33(40)32(39)30(38)24-41-34/h22-23,26-27,30,32-34,37-40H,3-21,24H2,1-2H3/t26?,27?,30-,32+,33-,34+/m1/s1
+CH$LINK: PUBCHEM CID:132582908
+CH$LINK: INCHIKEY NYUHMGANIQYFOK-ANHKVXBOSA-N
+CH$LINK: CHEMSPIDER 58197375
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 66-665
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 16.183 min
+MS$FOCUSED_ION: BASE_PEAK 677.3604
+MS$FOCUSED_ION: PRECURSOR_M/Z 631.3538
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0002-0000900000-b06f6a944f5e8ce1abe0
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  463.3344 C29H48ClO2- 2 463.3348 -0.84
+  499.3116 C29H49Cl2O2- 1 499.3115 0.25
+  631.3536 C34H57Cl2O6- 1 631.3538 -0.3
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  463.3344 330627.2 322
+  499.3116 1022656.1 999
+  631.3536 128814.8 125
+//
diff --git a/Eawag/MSBNK-EAWAG-ED111853.txt b/Eawag/MSBNK-EAWAG-ED111853.txt
new file mode 100644
index 0000000000..6f5990a7d8
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED111853.txt
@@ -0,0 +1,49 @@
+ACCESSION: MSBNK-EAWAG-ED111853
+RECORD_TITLE: Bartoloside E; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1371/journal.pone.0069562.g001
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1118
+CH$NAME: Bartoloside E
+CH$NAME: (2S,3R,4S,5R)-2-(2-(6-chlorododecyl)-5-(7-chloroundecyl)-3-hydroxyphenoxy)tetrahydro-2H-pyran-3,4,5-triol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C34H58Cl2O6
+CH$EXACT_MASS: 632.3610449
+CH$SMILES: CCCCCCC(CCCCCC1=C(C=C(C=C1O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)CCCCCCC(CCCC)Cl)O)Cl
+CH$IUPAC: InChI=1S/C34H58Cl2O6/c1-3-5-7-12-18-27(36)20-14-10-15-21-28-29(37)22-25(16-11-8-9-13-19-26(35)17-6-4-2)23-31(28)42-34-33(40)32(39)30(38)24-41-34/h22-23,26-27,30,32-34,37-40H,3-21,24H2,1-2H3/t26?,27?,30-,32+,33-,34+/m1/s1
+CH$LINK: PUBCHEM CID:132582908
+CH$LINK: INCHIKEY NYUHMGANIQYFOK-ANHKVXBOSA-N
+CH$LINK: CHEMSPIDER 58197375
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 66-665
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 16.183 min
+MS$FOCUSED_ION: BASE_PEAK 677.3604
+MS$FOCUSED_ION: PRECURSOR_M/Z 631.3538
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-01ot-0000900000-dc517fd73edcbc04c3d1
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  427.3578 C29H47O2- 2 427.3582 -0.72
+  463.3348 C29H48ClO2- 2 463.3348 -0.11
+  499.3116 C29H49Cl2O2- 1 499.3115 0.13
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  427.3578 206498.9 325
+  463.3348 621670.6 979
+  499.3116 634002.2 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED111854.txt b/Eawag/MSBNK-EAWAG-ED111854.txt
new file mode 100644
index 0000000000..eddb0e9ab9
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED111854.txt
@@ -0,0 +1,49 @@
+ACCESSION: MSBNK-EAWAG-ED111854
+RECORD_TITLE: Bartoloside E; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1371/journal.pone.0069562.g001
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1118
+CH$NAME: Bartoloside E
+CH$NAME: (2S,3R,4S,5R)-2-(2-(6-chlorododecyl)-5-(7-chloroundecyl)-3-hydroxyphenoxy)tetrahydro-2H-pyran-3,4,5-triol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C34H58Cl2O6
+CH$EXACT_MASS: 632.3610449
+CH$SMILES: CCCCCCC(CCCCCC1=C(C=C(C=C1O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)CCCCCCC(CCCC)Cl)O)Cl
+CH$IUPAC: InChI=1S/C34H58Cl2O6/c1-3-5-7-12-18-27(36)20-14-10-15-21-28-29(37)22-25(16-11-8-9-13-19-26(35)17-6-4-2)23-31(28)42-34-33(40)32(39)30(38)24-41-34/h22-23,26-27,30,32-34,37-40H,3-21,24H2,1-2H3/t26?,27?,30-,32+,33-,34+/m1/s1
+CH$LINK: PUBCHEM CID:132582908
+CH$LINK: INCHIKEY NYUHMGANIQYFOK-ANHKVXBOSA-N
+CH$LINK: CHEMSPIDER 58197375
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 66-665
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 16.183 min
+MS$FOCUSED_ION: BASE_PEAK 677.3604
+MS$FOCUSED_ION: PRECURSOR_M/Z 631.3538
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-01t9-0000900000-8bc5ffd3d1fd1f0c089a
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  427.3576 C29H47O2- 2 427.3582 -1.22
+  463.3345 C29H48ClO2- 2 463.3348 -0.64
+  499.3119 C29H49Cl2O2- 1 499.3115 0.8
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  427.3576 529551.4 999
+  463.3345 489053.9 922
+  499.3119 164390.5 310
+//
diff --git a/Eawag/MSBNK-EAWAG-ED111855.txt b/Eawag/MSBNK-EAWAG-ED111855.txt
new file mode 100644
index 0000000000..bb93cdad8f
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED111855.txt
@@ -0,0 +1,45 @@
+ACCESSION: MSBNK-EAWAG-ED111855
+RECORD_TITLE: Bartoloside E; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1371/journal.pone.0069562.g001
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1118
+CH$NAME: Bartoloside E
+CH$NAME: (2S,3R,4S,5R)-2-(2-(6-chlorododecyl)-5-(7-chloroundecyl)-3-hydroxyphenoxy)tetrahydro-2H-pyran-3,4,5-triol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C34H58Cl2O6
+CH$EXACT_MASS: 632.3610449
+CH$SMILES: CCCCCCC(CCCCCC1=C(C=C(C=C1O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)CCCCCCC(CCCC)Cl)O)Cl
+CH$IUPAC: InChI=1S/C34H58Cl2O6/c1-3-5-7-12-18-27(36)20-14-10-15-21-28-29(37)22-25(16-11-8-9-13-19-26(35)17-6-4-2)23-31(28)42-34-33(40)32(39)30(38)24-41-34/h22-23,26-27,30,32-34,37-40H,3-21,24H2,1-2H3/t26?,27?,30-,32+,33-,34+/m1/s1
+CH$LINK: PUBCHEM CID:132582908
+CH$LINK: INCHIKEY NYUHMGANIQYFOK-ANHKVXBOSA-N
+CH$LINK: CHEMSPIDER 58197375
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 66-665
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 16.183 min
+MS$FOCUSED_ION: BASE_PEAK 677.3604
+MS$FOCUSED_ION: PRECURSOR_M/Z 631.3538
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-004i-0000900000-224629620505fed7deec
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  427.3578 C29H47O2- 2 427.3582 -0.72
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  427.3578 897775.1 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED111856.txt b/Eawag/MSBNK-EAWAG-ED111856.txt
new file mode 100644
index 0000000000..05b8a7d168
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED111856.txt
@@ -0,0 +1,45 @@
+ACCESSION: MSBNK-EAWAG-ED111856
+RECORD_TITLE: Bartoloside E; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1371/journal.pone.0069562.g001
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1118
+CH$NAME: Bartoloside E
+CH$NAME: (2S,3R,4S,5R)-2-(2-(6-chlorododecyl)-5-(7-chloroundecyl)-3-hydroxyphenoxy)tetrahydro-2H-pyran-3,4,5-triol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C34H58Cl2O6
+CH$EXACT_MASS: 632.3610449
+CH$SMILES: CCCCCCC(CCCCCC1=C(C=C(C=C1O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)CCCCCCC(CCCC)Cl)O)Cl
+CH$IUPAC: InChI=1S/C34H58Cl2O6/c1-3-5-7-12-18-27(36)20-14-10-15-21-28-29(37)22-25(16-11-8-9-13-19-26(35)17-6-4-2)23-31(28)42-34-33(40)32(39)30(38)24-41-34/h22-23,26-27,30,32-34,37-40H,3-21,24H2,1-2H3/t26?,27?,30-,32+,33-,34+/m1/s1
+CH$LINK: PUBCHEM CID:132582908
+CH$LINK: INCHIKEY NYUHMGANIQYFOK-ANHKVXBOSA-N
+CH$LINK: CHEMSPIDER 58197375
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 66-665
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 16.183 min
+MS$FOCUSED_ION: BASE_PEAK 677.3604
+MS$FOCUSED_ION: PRECURSOR_M/Z 631.3538
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-004i-0000900000-af7e09de6d7f6d29db3b
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  427.3581 C29H47O2- 1 427.3582 -0.08
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  427.3581 860943.9 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED111857.txt b/Eawag/MSBNK-EAWAG-ED111857.txt
new file mode 100644
index 0000000000..b988a11a21
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED111857.txt
@@ -0,0 +1,47 @@
+ACCESSION: MSBNK-EAWAG-ED111857
+RECORD_TITLE: Bartoloside E; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1371/journal.pone.0069562.g001
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1118
+CH$NAME: Bartoloside E
+CH$NAME: (2S,3R,4S,5R)-2-(2-(6-chlorododecyl)-5-(7-chloroundecyl)-3-hydroxyphenoxy)tetrahydro-2H-pyran-3,4,5-triol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C34H58Cl2O6
+CH$EXACT_MASS: 632.3610449
+CH$SMILES: CCCCCCC(CCCCCC1=C(C=C(C=C1O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)CCCCCCC(CCCC)Cl)O)Cl
+CH$IUPAC: InChI=1S/C34H58Cl2O6/c1-3-5-7-12-18-27(36)20-14-10-15-21-28-29(37)22-25(16-11-8-9-13-19-26(35)17-6-4-2)23-31(28)42-34-33(40)32(39)30(38)24-41-34/h22-23,26-27,30,32-34,37-40H,3-21,24H2,1-2H3/t26?,27?,30-,32+,33-,34+/m1/s1
+CH$LINK: PUBCHEM CID:132582908
+CH$LINK: INCHIKEY NYUHMGANIQYFOK-ANHKVXBOSA-N
+CH$LINK: CHEMSPIDER 58197375
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 66-665
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 16.183 min
+MS$FOCUSED_ION: BASE_PEAK 677.3604
+MS$FOCUSED_ION: PRECURSOR_M/Z 631.3538
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-004i-0000900000-191042593abea854b284
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  261.1859 C17H25O2- 1 261.186 -0.21
+  427.3579 C29H47O2- 2 427.3582 -0.5
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  261.1859 33325.9 69
+  427.3579 479587.6 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED122101.txt b/Eawag/MSBNK-EAWAG-ED122101.txt
new file mode 100644
index 0000000000..321caafb85
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED122101.txt
@@ -0,0 +1,45 @@
+ACCESSION: MSBNK-EAWAG-ED122101
+RECORD_TITLE: Spumigin A; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1371/journal.pone.0073618; https://www.jstage.jst.go.jp/article/massspec/48/1/48_1_56/_pdf
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1221
+CH$NAME: Spumigin A
+CH$NAME: (2S,4S)-N-[5-(diaminomethylideneamino)-1-hydroxypentan-2-yl]-1-[(2R)-2-[[(2R)-2-hydroxy-3-(4-hydroxyphenyl)propanoyl]amino]-4-(4-hydroxyphenyl)butanoyl]-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H44N6O7
+CH$EXACT_MASS: 612.3271477
+CH$SMILES: C[C@H]1C[C@@H](C(NC(CO)CCCNC(N)=N)=O)N(C([C@H](NC([C@H](O)CC2=CC=C(O)C=C2)=O)CCC3=CC=C(O)C=C3)=O)C1
+CH$IUPAC: InChI=1S/C31H44N6O7/c1-19-15-26(28(42)35-22(18-38)3-2-14-34-31(32)33)37(17-19)30(44)25(13-8-20-4-9-23(39)10-5-20)36-29(43)27(41)16-21-6-11-24(40)12-7-21/h4-7,9-12,19,22,25-27,38-41H,2-3,8,13-18H2,1H3,(H,35,42)(H,36,43)(H4,32,33,34)/t19-,22?,25+,26-,27+/m0/s1
+CH$LINK: PUBCHEM CID:10651408
+CH$LINK: INCHIKEY LRHLULGPZSFCCN-NBJYBXKZSA-N
+CH$LINK: CHEMSPIDER 8826765
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 64-647
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.451 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 613.3344
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-03di-0000009000-a9870ef699660c728d8a
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  613.3341 C31H45N6O7+ 1 613.3344 -0.54
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  613.3341 8365451 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED122102.txt b/Eawag/MSBNK-EAWAG-ED122102.txt
new file mode 100644
index 0000000000..4e05331dd7
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED122102.txt
@@ -0,0 +1,45 @@
+ACCESSION: MSBNK-EAWAG-ED122102
+RECORD_TITLE: Spumigin A; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1371/journal.pone.0073618; https://www.jstage.jst.go.jp/article/massspec/48/1/48_1_56/_pdf
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1221
+CH$NAME: Spumigin A
+CH$NAME: (2S,4S)-N-[5-(diaminomethylideneamino)-1-hydroxypentan-2-yl]-1-[(2R)-2-[[(2R)-2-hydroxy-3-(4-hydroxyphenyl)propanoyl]amino]-4-(4-hydroxyphenyl)butanoyl]-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H44N6O7
+CH$EXACT_MASS: 612.3271477
+CH$SMILES: C[C@H]1C[C@@H](C(NC(CO)CCCNC(N)=N)=O)N(C([C@H](NC([C@H](O)CC2=CC=C(O)C=C2)=O)CCC3=CC=C(O)C=C3)=O)C1
+CH$IUPAC: InChI=1S/C31H44N6O7/c1-19-15-26(28(42)35-22(18-38)3-2-14-34-31(32)33)37(17-19)30(44)25(13-8-20-4-9-23(39)10-5-20)36-29(43)27(41)16-21-6-11-24(40)12-7-21/h4-7,9-12,19,22,25-27,38-41H,2-3,8,13-18H2,1H3,(H,35,42)(H,36,43)(H4,32,33,34)/t19-,22?,25+,26-,27+/m0/s1
+CH$LINK: PUBCHEM CID:10651408
+CH$LINK: INCHIKEY LRHLULGPZSFCCN-NBJYBXKZSA-N
+CH$LINK: CHEMSPIDER 8826765
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 64-647
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.451 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 613.3344
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-03di-0000009000-9cfd08dba5532d9c07ab
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  613.334 C31H45N6O7+ 1 613.3344 -0.64
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  613.334 9526080 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED122103.txt b/Eawag/MSBNK-EAWAG-ED122103.txt
new file mode 100644
index 0000000000..0f4f435146
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED122103.txt
@@ -0,0 +1,47 @@
+ACCESSION: MSBNK-EAWAG-ED122103
+RECORD_TITLE: Spumigin A; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1371/journal.pone.0073618; https://www.jstage.jst.go.jp/article/massspec/48/1/48_1_56/_pdf
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1221
+CH$NAME: Spumigin A
+CH$NAME: (2S,4S)-N-[5-(diaminomethylideneamino)-1-hydroxypentan-2-yl]-1-[(2R)-2-[[(2R)-2-hydroxy-3-(4-hydroxyphenyl)propanoyl]amino]-4-(4-hydroxyphenyl)butanoyl]-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H44N6O7
+CH$EXACT_MASS: 612.3271477
+CH$SMILES: C[C@H]1C[C@@H](C(NC(CO)CCCNC(N)=N)=O)N(C([C@H](NC([C@H](O)CC2=CC=C(O)C=C2)=O)CCC3=CC=C(O)C=C3)=O)C1
+CH$IUPAC: InChI=1S/C31H44N6O7/c1-19-15-26(28(42)35-22(18-38)3-2-14-34-31(32)33)37(17-19)30(44)25(13-8-20-4-9-23(39)10-5-20)36-29(43)27(41)16-21-6-11-24(40)12-7-21/h4-7,9-12,19,22,25-27,38-41H,2-3,8,13-18H2,1H3,(H,35,42)(H,36,43)(H4,32,33,34)/t19-,22?,25+,26-,27+/m0/s1
+CH$LINK: PUBCHEM CID:10651408
+CH$LINK: INCHIKEY LRHLULGPZSFCCN-NBJYBXKZSA-N
+CH$LINK: CHEMSPIDER 8826765
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 64-647
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.451 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 613.3344
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-03di-0000009000-b59deb2f2ea5b751022d
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  255.1817 C12H23N4O2+ 2 255.1816 0.55
+  613.3342 C31H45N6O7+ 1 613.3344 -0.44
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  255.1817 406893.3 53
+  613.3342 7554591.5 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED122104.txt b/Eawag/MSBNK-EAWAG-ED122104.txt
new file mode 100644
index 0000000000..c1fc8b3a94
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED122104.txt
@@ -0,0 +1,57 @@
+ACCESSION: MSBNK-EAWAG-ED122104
+RECORD_TITLE: Spumigin A; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1371/journal.pone.0073618; https://www.jstage.jst.go.jp/article/massspec/48/1/48_1_56/_pdf
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1221
+CH$NAME: Spumigin A
+CH$NAME: (2S,4S)-N-[5-(diaminomethylideneamino)-1-hydroxypentan-2-yl]-1-[(2R)-2-[[(2R)-2-hydroxy-3-(4-hydroxyphenyl)propanoyl]amino]-4-(4-hydroxyphenyl)butanoyl]-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H44N6O7
+CH$EXACT_MASS: 612.3271477
+CH$SMILES: C[C@H]1C[C@@H](C(NC(CO)CCCNC(N)=N)=O)N(C([C@H](NC([C@H](O)CC2=CC=C(O)C=C2)=O)CCC3=CC=C(O)C=C3)=O)C1
+CH$IUPAC: InChI=1S/C31H44N6O7/c1-19-15-26(28(42)35-22(18-38)3-2-14-34-31(32)33)37(17-19)30(44)25(13-8-20-4-9-23(39)10-5-20)36-29(43)27(41)16-21-6-11-24(40)12-7-21/h4-7,9-12,19,22,25-27,38-41H,2-3,8,13-18H2,1H3,(H,35,42)(H,36,43)(H4,32,33,34)/t19-,22?,25+,26-,27+/m0/s1
+CH$LINK: PUBCHEM CID:10651408
+CH$LINK: INCHIKEY LRHLULGPZSFCCN-NBJYBXKZSA-N
+CH$LINK: CHEMSPIDER 8826765
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 64-647
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.451 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 613.3344
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-03di-0020009000-8b8672ff3d7fe58d97cc
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  102.0911 C5H12NO+ 1 102.0913 -2.02
+  154.0976 C7H12N3O+ 1 154.0975 0.42
+  182.0815 C9H12NO3+ 1 182.0812 1.78
+  230.1867 C11H24N3O2+ 2 230.1863 1.63
+  255.1817 C12H23N4O2+ 2 255.1816 0.73
+  272.2085 C14H28N2O3+ 2 272.2094 -3.49
+  613.3345 C31H45N6O7+ 1 613.3344 0.15
+PK$NUM_PEAK: 7
+PK$PEAK: m/z int. rel.int.
+  102.0911 61840.1 12
+  154.0976 119824.5 23
+  182.0815 62293.2 12
+  230.1867 85662.8 16
+  255.1817 1146912.6 225
+  272.2085 121652.9 23
+  613.3345 5070049 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED122105.txt b/Eawag/MSBNK-EAWAG-ED122105.txt
new file mode 100644
index 0000000000..b161754d33
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED122105.txt
@@ -0,0 +1,83 @@
+ACCESSION: MSBNK-EAWAG-ED122105
+RECORD_TITLE: Spumigin A; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1371/journal.pone.0073618; https://www.jstage.jst.go.jp/article/massspec/48/1/48_1_56/_pdf
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1221
+CH$NAME: Spumigin A
+CH$NAME: (2S,4S)-N-[5-(diaminomethylideneamino)-1-hydroxypentan-2-yl]-1-[(2R)-2-[[(2R)-2-hydroxy-3-(4-hydroxyphenyl)propanoyl]amino]-4-(4-hydroxyphenyl)butanoyl]-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H44N6O7
+CH$EXACT_MASS: 612.3271477
+CH$SMILES: C[C@H]1C[C@@H](C(NC(CO)CCCNC(N)=N)=O)N(C([C@H](NC([C@H](O)CC2=CC=C(O)C=C2)=O)CCC3=CC=C(O)C=C3)=O)C1
+CH$IUPAC: InChI=1S/C31H44N6O7/c1-19-15-26(28(42)35-22(18-38)3-2-14-34-31(32)33)37(17-19)30(44)25(13-8-20-4-9-23(39)10-5-20)36-29(43)27(41)16-21-6-11-24(40)12-7-21/h4-7,9-12,19,22,25-27,38-41H,2-3,8,13-18H2,1H3,(H,35,42)(H,36,43)(H4,32,33,34)/t19-,22?,25+,26-,27+/m0/s1
+CH$LINK: PUBCHEM CID:10651408
+CH$LINK: INCHIKEY LRHLULGPZSFCCN-NBJYBXKZSA-N
+CH$LINK: CHEMSPIDER 8826765
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 64-647
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.451 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 613.3344
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0a59-5970002000-1b15822d4859990ad2cd
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  84.0808 C5H10N+ 1 84.0808 -0.06
+  101.1074 C5H13N2+ 1 101.1073 0.84
+  102.0914 C5H12NO+ 1 102.0913 0.29
+  107.0491 C7H7O+ 1 107.0491 -0.38
+  119.1178 C5H15N2O+ 1 119.1179 -1.04
+  126.1026 C6H12N3+ 1 126.1026 0.58
+  129.1024 C6H13N2O+ 1 129.1022 1.59
+  130.086 C6H12NO2+ 1 130.0863 -2.19
+  133.0646 C9H9O+ 1 133.0648 -1.37
+  144.113 C6H14N3O+ 1 144.1131 -1.12
+  150.0909 C9H12NO+ 1 150.0913 -2.67
+  154.0974 C7H12N3O+ 1 154.0975 -0.28
+  155.0814 C7H11N2O2+ 1 155.0815 -0.89
+  182.0811 C9H12NO3+ 1 182.0812 -0.65
+  208.0968 C11H14NO3+ 1 208.0968 0.08
+  212.1757 C11H22N3O+ 1 212.1757 0
+  230.1865 C11H24N3O2+ 1 230.1863 0.7
+  255.1817 C12H23N4O2+ 2 255.1816 0.67
+  272.2083 C14H28N2O3+ 2 272.2094 -4.05
+  613.3366 C31H45N6O7+ 1 613.3344 3.54
+PK$NUM_PEAK: 20
+PK$PEAK: m/z int. rel.int.
+  84.0808 1415020.4 999
+  101.1074 33999.9 24
+  102.0914 279799.1 197
+  107.0491 237526.6 167
+  119.1178 29501.4 20
+  126.1026 81347 57
+  129.1024 31798.4 22
+  130.086 51583.4 36
+  133.0646 206309.4 145
+  144.113 237997.9 168
+  150.0909 69942.7 49
+  154.0974 488283.4 344
+  155.0814 210247.4 148
+  182.0811 267925.1 189
+  208.0968 449343.6 317
+  212.1757 106350.2 75
+  230.1865 149686.6 105
+  255.1817 1038840.9 733
+  272.2083 193482.5 136
+  613.3366 633090.9 446
+//
diff --git a/Eawag/MSBNK-EAWAG-ED122106.txt b/Eawag/MSBNK-EAWAG-ED122106.txt
new file mode 100644
index 0000000000..0b949d44db
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED122106.txt
@@ -0,0 +1,89 @@
+ACCESSION: MSBNK-EAWAG-ED122106
+RECORD_TITLE: Spumigin A; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1371/journal.pone.0073618; https://www.jstage.jst.go.jp/article/massspec/48/1/48_1_56/_pdf
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1221
+CH$NAME: Spumigin A
+CH$NAME: (2S,4S)-N-[5-(diaminomethylideneamino)-1-hydroxypentan-2-yl]-1-[(2R)-2-[[(2R)-2-hydroxy-3-(4-hydroxyphenyl)propanoyl]amino]-4-(4-hydroxyphenyl)butanoyl]-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H44N6O7
+CH$EXACT_MASS: 612.3271477
+CH$SMILES: C[C@H]1C[C@@H](C(NC(CO)CCCNC(N)=N)=O)N(C([C@H](NC([C@H](O)CC2=CC=C(O)C=C2)=O)CCC3=CC=C(O)C=C3)=O)C1
+CH$IUPAC: InChI=1S/C31H44N6O7/c1-19-15-26(28(42)35-22(18-38)3-2-14-34-31(32)33)37(17-19)30(44)25(13-8-20-4-9-23(39)10-5-20)36-29(43)27(41)16-21-6-11-24(40)12-7-21/h4-7,9-12,19,22,25-27,38-41H,2-3,8,13-18H2,1H3,(H,35,42)(H,36,43)(H4,32,33,34)/t19-,22?,25+,26-,27+/m0/s1
+CH$LINK: PUBCHEM CID:10651408
+CH$LINK: INCHIKEY LRHLULGPZSFCCN-NBJYBXKZSA-N
+CH$LINK: CHEMSPIDER 8826765
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 64-647
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.451 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 613.3344
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-001i-7910000000-b491d6850a74a6c89b83
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  67.0542 C5H7+ 1 67.0542 -1.12
+  84.0808 C5H10N+ 1 84.0808 -0.15
+  101.1072 C5H13N2+ 1 101.1073 -0.75
+  102.0914 C5H12NO+ 1 102.0913 0.15
+  107.0491 C7H7O+ 1 107.0491 -0.24
+  112.0758 C6H10NO+ 1 112.0757 0.77
+  119.118 C5H15N2O+ 1 119.1179 0.62
+  126.1027 C6H12N3+ 1 126.1026 0.76
+  127.0868 C6H11N2O+ 1 127.0866 1.54
+  129.1018 C6H13N2O+ 1 129.1022 -3.49
+  130.086 C6H12NO2+ 1 130.0863 -2.3
+  133.0647 C9H9O+ 1 133.0648 -0.45
+  137.0597 C8H9O2+ 1 137.0597 0.05
+  144.113 C6H14N3O+ 1 144.1131 -0.7
+  150.0911 C9H12NO+ 1 150.0913 -1.45
+  154.0974 C7H12N3O+ 1 154.0975 -0.87
+  155.0813 C7H11N2O2+ 1 155.0815 -1.48
+  164.0706 C9H10NO2+ 1 164.0706 0.15
+  182.081 C9H12NO3+ 1 182.0812 -0.99
+  208.0967 C11H14NO3+ 1 208.0968 -0.36
+  212.1757 C11H22N3O+ 1 212.1757 0
+  230.1865 C11H24N3O2+ 2 230.1863 0.9
+  255.1816 C12H23N4O2+ 1 255.1816 0.2
+PK$NUM_PEAK: 23
+PK$PEAK: m/z int. rel.int.
+  67.0542 20873.8 10
+  84.0808 2039208 999
+  101.1072 26324.9 12
+  102.0914 315649.2 154
+  107.0491 711301.7 348
+  112.0758 33121.9 16
+  119.118 30916.1 15
+  126.1027 84920 41
+  127.0868 31174.3 15
+  129.1018 32640.6 15
+  130.086 54267.6 26
+  133.0647 236604 115
+  137.0597 26621.3 13
+  144.113 264387.1 129
+  150.0911 100151.3 49
+  154.0974 301218.8 147
+  155.0813 120057.6 58
+  164.0706 72659.8 35
+  182.081 101851.4 49
+  208.0967 273206.4 133
+  212.1757 33992.5 16
+  230.1865 43565.7 21
+  255.1816 149907.3 73
+//
diff --git a/Eawag/MSBNK-EAWAG-ED122107.txt b/Eawag/MSBNK-EAWAG-ED122107.txt
new file mode 100644
index 0000000000..f690890728
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED122107.txt
@@ -0,0 +1,71 @@
+ACCESSION: MSBNK-EAWAG-ED122107
+RECORD_TITLE: Spumigin A; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1371/journal.pone.0073618; https://www.jstage.jst.go.jp/article/massspec/48/1/48_1_56/_pdf
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1221
+CH$NAME: Spumigin A
+CH$NAME: (2S,4S)-N-[5-(diaminomethylideneamino)-1-hydroxypentan-2-yl]-1-[(2R)-2-[[(2R)-2-hydroxy-3-(4-hydroxyphenyl)propanoyl]amino]-4-(4-hydroxyphenyl)butanoyl]-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H44N6O7
+CH$EXACT_MASS: 612.3271477
+CH$SMILES: C[C@H]1C[C@@H](C(NC(CO)CCCNC(N)=N)=O)N(C([C@H](NC([C@H](O)CC2=CC=C(O)C=C2)=O)CCC3=CC=C(O)C=C3)=O)C1
+CH$IUPAC: InChI=1S/C31H44N6O7/c1-19-15-26(28(42)35-22(18-38)3-2-14-34-31(32)33)37(17-19)30(44)25(13-8-20-4-9-23(39)10-5-20)36-29(43)27(41)16-21-6-11-24(40)12-7-21/h4-7,9-12,19,22,25-27,38-41H,2-3,8,13-18H2,1H3,(H,35,42)(H,36,43)(H4,32,33,34)/t19-,22?,25+,26-,27+/m0/s1
+CH$LINK: PUBCHEM CID:10651408
+CH$LINK: INCHIKEY LRHLULGPZSFCCN-NBJYBXKZSA-N
+CH$LINK: CHEMSPIDER 8826765
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 64-647
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.451 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 613.3344
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-001i-9800000000-f3ff6ab0c5fbf646d050
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  67.0544 C5H7+ 1 67.0542 2.07
+  84.0808 C5H10N+ 1 84.0808 -0.06
+  102.0913 C5H12NO+ 1 102.0913 -0.15
+  107.0491 C7H7O+ 1 107.0491 -0.24
+  112.0757 C6H10NO+ 1 112.0757 0.02
+  126.1025 C6H12N3+ 1 126.1026 -0.93
+  129.1022 C6H13N2O+ 1 129.1022 -0.18
+  133.0647 C9H9O+ 1 133.0648 -1.03
+  137.0595 C8H9O2+ 1 137.0597 -1.85
+  144.113 C6H14N3O+ 1 144.1131 -0.91
+  154.0976 C7H12N3O+ 1 154.0975 0.42
+  155.0813 C7H11N2O2+ 1 155.0815 -1.48
+  164.0706 C9H10NO2+ 1 164.0706 0.15
+  208.0971 C11H14NO3+ 1 208.0968 1.4
+PK$NUM_PEAK: 14
+PK$PEAK: m/z int. rel.int.
+  67.0544 45379.7 19
+  84.0808 2311286.8 999
+  102.0913 276349.8 119
+  107.0491 1093962.2 472
+  112.0757 46800.9 20
+  126.1025 54264.9 23
+  129.1022 28797.9 12
+  133.0647 222813.6 96
+  137.0595 52056.8 22
+  144.113 180626.4 78
+  154.0976 101526.4 43
+  155.0813 51079 22
+  164.0706 42457 18
+  208.0971 51816.7 22
+//
diff --git a/Eawag/MSBNK-EAWAG-ED122108.txt b/Eawag/MSBNK-EAWAG-ED122108.txt
new file mode 100644
index 0000000000..cdabb7fddc
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED122108.txt
@@ -0,0 +1,75 @@
+ACCESSION: MSBNK-EAWAG-ED122108
+RECORD_TITLE: Spumigin A; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1371/journal.pone.0073618; https://www.jstage.jst.go.jp/article/massspec/48/1/48_1_56/_pdf
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1221
+CH$NAME: Spumigin A
+CH$NAME: (2S,4S)-N-[5-(diaminomethylideneamino)-1-hydroxypentan-2-yl]-1-[(2R)-2-[[(2R)-2-hydroxy-3-(4-hydroxyphenyl)propanoyl]amino]-4-(4-hydroxyphenyl)butanoyl]-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H44N6O7
+CH$EXACT_MASS: 612.3271477
+CH$SMILES: C[C@H]1C[C@@H](C(NC(CO)CCCNC(N)=N)=O)N(C([C@H](NC([C@H](O)CC2=CC=C(O)C=C2)=O)CCC3=CC=C(O)C=C3)=O)C1
+CH$IUPAC: InChI=1S/C31H44N6O7/c1-19-15-26(28(42)35-22(18-38)3-2-14-34-31(32)33)37(17-19)30(44)25(13-8-20-4-9-23(39)10-5-20)36-29(43)27(41)16-21-6-11-24(40)12-7-21/h4-7,9-12,19,22,25-27,38-41H,2-3,8,13-18H2,1H3,(H,35,42)(H,36,43)(H4,32,33,34)/t19-,22?,25+,26-,27+/m0/s1
+CH$LINK: PUBCHEM CID:10651408
+CH$LINK: INCHIKEY LRHLULGPZSFCCN-NBJYBXKZSA-N
+CH$LINK: CHEMSPIDER 8826765
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 64-647
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.451 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 613.3344
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-053r-9700000000-72fc56db8e44ee9b8153
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  67.0542 C5H7+ 1 67.0542 -1.12
+  84.0808 C5H10N+ 1 84.0808 -0.24
+  85.0645 C5H9O+ 1 85.0648 -3.08
+  91.0541 C7H7+ 1 91.0542 -0.85
+  95.0491 C6H7O+ 1 95.0491 -0.5
+  102.0913 C5H12NO+ 1 102.0913 -0.23
+  105.0699 C8H9+ 1 105.0699 0.28
+  107.0491 C7H7O+ 1 107.0491 -0.45
+  112.0756 C6H10NO+ 1 112.0757 -0.66
+  119.0492 C8H7O+ 1 119.0491 0.49
+  126.1028 C6H12N3+ 1 126.1026 2.09
+  133.0647 C9H9O+ 1 133.0648 -0.45
+  137.0595 C8H9O2+ 1 137.0597 -1.62
+  144.1129 C6H14N3O+ 1 144.1131 -1.44
+  147.0437 C9H7O2+ 1 147.0441 -2.66
+  154.0971 C7H12N3O+ 1 154.0975 -2.56
+PK$NUM_PEAK: 16
+PK$PEAK: m/z int. rel.int.
+  67.0542 59525.7 26
+  84.0808 2242264 999
+  85.0645 25212.3 11
+  91.0541 45549.1 20
+  95.0491 31476.4 14
+  102.0913 240106.7 106
+  105.0699 28515.1 12
+  107.0491 1331443.5 593
+  112.0756 33718.1 15
+  119.0492 54383 24
+  126.1028 31573.8 14
+  133.0647 177355.3 79
+  137.0595 62297 27
+  144.1129 76961.9 34
+  147.0437 24858.4 11
+  154.0971 31989.1 14
+//
diff --git a/Eawag/MSBNK-EAWAG-ED122109.txt b/Eawag/MSBNK-EAWAG-ED122109.txt
new file mode 100644
index 0000000000..a1a354a8a4
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED122109.txt
@@ -0,0 +1,65 @@
+ACCESSION: MSBNK-EAWAG-ED122109
+RECORD_TITLE: Spumigin A; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1371/journal.pone.0073618; https://www.jstage.jst.go.jp/article/massspec/48/1/48_1_56/_pdf
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1221
+CH$NAME: Spumigin A
+CH$NAME: (2S,4S)-N-[5-(diaminomethylideneamino)-1-hydroxypentan-2-yl]-1-[(2R)-2-[[(2R)-2-hydroxy-3-(4-hydroxyphenyl)propanoyl]amino]-4-(4-hydroxyphenyl)butanoyl]-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H44N6O7
+CH$EXACT_MASS: 612.3271477
+CH$SMILES: C[C@H]1C[C@@H](C(NC(CO)CCCNC(N)=N)=O)N(C([C@H](NC([C@H](O)CC2=CC=C(O)C=C2)=O)CCC3=CC=C(O)C=C3)=O)C1
+CH$IUPAC: InChI=1S/C31H44N6O7/c1-19-15-26(28(42)35-22(18-38)3-2-14-34-31(32)33)37(17-19)30(44)25(13-8-20-4-9-23(39)10-5-20)36-29(43)27(41)16-21-6-11-24(40)12-7-21/h4-7,9-12,19,22,25-27,38-41H,2-3,8,13-18H2,1H3,(H,35,42)(H,36,43)(H4,32,33,34)/t19-,22?,25+,26-,27+/m0/s1
+CH$LINK: PUBCHEM CID:10651408
+CH$LINK: INCHIKEY LRHLULGPZSFCCN-NBJYBXKZSA-N
+CH$LINK: CHEMSPIDER 8826765
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 64-647
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.451 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 613.3344
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-053r-9800000000-ab8da12ccf29106e9c7f
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  67.0543 C5H7+ 1 67.0542 1.27
+  84.0807 C5H10N+ 1 84.0808 -0.61
+  91.0542 C7H7+ 1 91.0542 -0.01
+  95.049 C6H7O+ 1 95.0491 -0.98
+  102.0913 C5H12NO+ 1 102.0913 -0.83
+  105.07 C8H9+ 1 105.0699 1.01
+  107.0491 C7H7O+ 1 107.0491 -0.81
+  119.049 C8H7O+ 1 119.0491 -1.17
+  133.0647 C9H9O+ 1 133.0648 -0.91
+  137.0593 C8H9O2+ 1 137.0597 -2.96
+  144.1131 C6H14N3O+ 1 144.1131 -0.49
+PK$NUM_PEAK: 11
+PK$PEAK: m/z int. rel.int.
+  67.0543 89578.2 42
+  84.0807 2082280.9 999
+  91.0542 97345.8 46
+  95.049 47885.4 22
+  102.0913 167971.7 80
+  105.07 51791.5 24
+  107.0491 1632228.9 783
+  119.049 85337.2 40
+  133.0647 131205.7 62
+  137.0593 33857.5 16
+  144.1131 36292.2 17
+//
diff --git a/Eawag/MSBNK-EAWAG-ED122151.txt b/Eawag/MSBNK-EAWAG-ED122151.txt
new file mode 100644
index 0000000000..7a17827d2e
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED122151.txt
@@ -0,0 +1,45 @@
+ACCESSION: MSBNK-EAWAG-ED122151
+RECORD_TITLE: Spumigin A; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1371/journal.pone.0073618; https://www.jstage.jst.go.jp/article/massspec/48/1/48_1_56/_pdf
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1221
+CH$NAME: Spumigin A
+CH$NAME: (2S,4S)-N-[5-(diaminomethylideneamino)-1-hydroxypentan-2-yl]-1-[(2R)-2-[[(2R)-2-hydroxy-3-(4-hydroxyphenyl)propanoyl]amino]-4-(4-hydroxyphenyl)butanoyl]-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H44N6O7
+CH$EXACT_MASS: 612.3271477
+CH$SMILES: C[C@H]1C[C@@H](C(NC(CO)CCCNC(N)=N)=O)N(C([C@H](NC([C@H](O)CC2=CC=C(O)C=C2)=O)CCC3=CC=C(O)C=C3)=O)C1
+CH$IUPAC: InChI=1S/C31H44N6O7/c1-19-15-26(28(42)35-22(18-38)3-2-14-34-31(32)33)37(17-19)30(44)25(13-8-20-4-9-23(39)10-5-20)36-29(43)27(41)16-21-6-11-24(40)12-7-21/h4-7,9-12,19,22,25-27,38-41H,2-3,8,13-18H2,1H3,(H,35,42)(H,36,43)(H4,32,33,34)/t19-,22?,25+,26-,27+/m0/s1
+CH$LINK: PUBCHEM CID:10651408
+CH$LINK: INCHIKEY LRHLULGPZSFCCN-NBJYBXKZSA-N
+CH$LINK: CHEMSPIDER 8826765
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 64-645
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.437 min
+MS$FOCUSED_ION: BASE_PEAK 146.9383
+MS$FOCUSED_ION: PRECURSOR_M/Z 611.3199
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-03di-0000009000-5ecfff52b681b552e8f1
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  611.3188 C31H43N6O7- 1 611.3199 -1.75
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  611.3188 644310.6 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED122152.txt b/Eawag/MSBNK-EAWAG-ED122152.txt
new file mode 100644
index 0000000000..a1911aac40
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED122152.txt
@@ -0,0 +1,47 @@
+ACCESSION: MSBNK-EAWAG-ED122152
+RECORD_TITLE: Spumigin A; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1371/journal.pone.0073618; https://www.jstage.jst.go.jp/article/massspec/48/1/48_1_56/_pdf
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1221
+CH$NAME: Spumigin A
+CH$NAME: (2S,4S)-N-[5-(diaminomethylideneamino)-1-hydroxypentan-2-yl]-1-[(2R)-2-[[(2R)-2-hydroxy-3-(4-hydroxyphenyl)propanoyl]amino]-4-(4-hydroxyphenyl)butanoyl]-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H44N6O7
+CH$EXACT_MASS: 612.3271477
+CH$SMILES: C[C@H]1C[C@@H](C(NC(CO)CCCNC(N)=N)=O)N(C([C@H](NC([C@H](O)CC2=CC=C(O)C=C2)=O)CCC3=CC=C(O)C=C3)=O)C1
+CH$IUPAC: InChI=1S/C31H44N6O7/c1-19-15-26(28(42)35-22(18-38)3-2-14-34-31(32)33)37(17-19)30(44)25(13-8-20-4-9-23(39)10-5-20)36-29(43)27(41)16-21-6-11-24(40)12-7-21/h4-7,9-12,19,22,25-27,38-41H,2-3,8,13-18H2,1H3,(H,35,42)(H,36,43)(H4,32,33,34)/t19-,22?,25+,26-,27+/m0/s1
+CH$LINK: PUBCHEM CID:10651408
+CH$LINK: INCHIKEY LRHLULGPZSFCCN-NBJYBXKZSA-N
+CH$LINK: CHEMSPIDER 8826765
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 64-645
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.437 min
+MS$FOCUSED_ION: BASE_PEAK 146.9383
+MS$FOCUSED_ION: PRECURSOR_M/Z 611.3199
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-03di-0000009000-89d4e609fe6c5aff769a
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  340.1192 C19H18NO5- 3 340.119 0.46
+  611.3187 C31H43N6O7- 1 611.3199 -1.85
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  340.1192 13924.7 25
+  611.3187 539356.4 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED122153.txt b/Eawag/MSBNK-EAWAG-ED122153.txt
new file mode 100644
index 0000000000..0b1d1c6324
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED122153.txt
@@ -0,0 +1,49 @@
+ACCESSION: MSBNK-EAWAG-ED122153
+RECORD_TITLE: Spumigin A; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1371/journal.pone.0073618; https://www.jstage.jst.go.jp/article/massspec/48/1/48_1_56/_pdf
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1221
+CH$NAME: Spumigin A
+CH$NAME: (2S,4S)-N-[5-(diaminomethylideneamino)-1-hydroxypentan-2-yl]-1-[(2R)-2-[[(2R)-2-hydroxy-3-(4-hydroxyphenyl)propanoyl]amino]-4-(4-hydroxyphenyl)butanoyl]-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H44N6O7
+CH$EXACT_MASS: 612.3271477
+CH$SMILES: C[C@H]1C[C@@H](C(NC(CO)CCCNC(N)=N)=O)N(C([C@H](NC([C@H](O)CC2=CC=C(O)C=C2)=O)CCC3=CC=C(O)C=C3)=O)C1
+CH$IUPAC: InChI=1S/C31H44N6O7/c1-19-15-26(28(42)35-22(18-38)3-2-14-34-31(32)33)37(17-19)30(44)25(13-8-20-4-9-23(39)10-5-20)36-29(43)27(41)16-21-6-11-24(40)12-7-21/h4-7,9-12,19,22,25-27,38-41H,2-3,8,13-18H2,1H3,(H,35,42)(H,36,43)(H4,32,33,34)/t19-,22?,25+,26-,27+/m0/s1
+CH$LINK: PUBCHEM CID:10651408
+CH$LINK: INCHIKEY LRHLULGPZSFCCN-NBJYBXKZSA-N
+CH$LINK: CHEMSPIDER 8826765
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 64-645
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.437 min
+MS$FOCUSED_ION: BASE_PEAK 146.9383
+MS$FOCUSED_ION: PRECURSOR_M/Z 611.3199
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-03di-0001009000-2110dfb7b492cf1adbab
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  340.1187 C19H18NO5- 3 340.119 -1.06
+  482.2388 C25H32N5O5- 1 482.2409 -4.33
+  611.3194 C31H43N6O7- 1 611.3199 -0.75
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  340.1187 52346.9 154
+  482.2388 13722.9 40
+  611.3194 339542.9 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED122201.txt b/Eawag/MSBNK-EAWAG-ED122201.txt
new file mode 100644
index 0000000000..d0ddf46e30
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED122201.txt
@@ -0,0 +1,45 @@
+ACCESSION: MSBNK-EAWAG-ED122201
+RECORD_TITLE: Dihydrospumigin K (and isomers); LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], F. Rios Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1093/femsec/fiaa243
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 1222
+CH$NAME: Dihydrospumigin K (and isomers)
+CH$NAME: (2S)-N-[(2R)-5-(diaminomethylideneamino)-1-hydroxypentan-2-yl]-1-[(2R)-2-[[2-hydroxy-4-(4-hydroxyphenyl)butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H44N6O7
+CH$EXACT_MASS: 612.3271477
+CH$SMILES: OC1=CC=C(CCC(O)C(N[C@H](CC2=CC=C(O)C=C2)C(N3[C@H](C(N[C@H](CCCNC(N)=N)CO)=O)CC(C)C3)=O)=O)C=C1
+CH$IUPAC: InChI=1S/C31H44N6O7/c1-19-15-26(28(42)35-22(18-38)3-2-14-34-31(32)33)37(17-19)30(44)25(16-21-6-11-24(40)12-7-21)36-29(43)27(41)13-8-20-4-9-23(39)10-5-20/h4-7,9-12,19,22,25-27,38-41H,2-3,8,13-18H2,1H3,(H,35,42)(H,36,43)(H4,32,33,34)/t19?,22-,25-,26+,27?/m1/s1
+CH$LINK: PUBCHEM CID:139589787
+CH$LINK: INCHIKEY OYLLIRIQZZWJCJ-CBJUXADFSA-N
+CH$LINK: CHEMSPIDER 78439000
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 64-647
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.374 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 613.3344
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03di-0000009000-1dfa9b42384c03c6e487
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  613.3337 C31H45N6O7+ 1 613.3344 -1.11
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  613.3337 3018142.5 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED122202.txt b/Eawag/MSBNK-EAWAG-ED122202.txt
new file mode 100644
index 0000000000..d5d61e52e7
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED122202.txt
@@ -0,0 +1,45 @@
+ACCESSION: MSBNK-EAWAG-ED122202
+RECORD_TITLE: Dihydrospumigin K (and isomers); LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], F. Rios Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1093/femsec/fiaa243
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 1222
+CH$NAME: Dihydrospumigin K (and isomers)
+CH$NAME: (2S)-N-[(2R)-5-(diaminomethylideneamino)-1-hydroxypentan-2-yl]-1-[(2R)-2-[[2-hydroxy-4-(4-hydroxyphenyl)butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H44N6O7
+CH$EXACT_MASS: 612.3271477
+CH$SMILES: OC1=CC=C(CCC(O)C(N[C@H](CC2=CC=C(O)C=C2)C(N3[C@H](C(N[C@H](CCCNC(N)=N)CO)=O)CC(C)C3)=O)=O)C=C1
+CH$IUPAC: InChI=1S/C31H44N6O7/c1-19-15-26(28(42)35-22(18-38)3-2-14-34-31(32)33)37(17-19)30(44)25(16-21-6-11-24(40)12-7-21)36-29(43)27(41)13-8-20-4-9-23(39)10-5-20/h4-7,9-12,19,22,25-27,38-41H,2-3,8,13-18H2,1H3,(H,35,42)(H,36,43)(H4,32,33,34)/t19?,22-,25-,26+,27?/m1/s1
+CH$LINK: PUBCHEM CID:139589787
+CH$LINK: INCHIKEY OYLLIRIQZZWJCJ-CBJUXADFSA-N
+CH$LINK: CHEMSPIDER 78439000
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 64-647
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.374 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 613.3344
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03di-0000009000-6630e10a6807adfe4658
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  613.3339 C31H45N6O7+ 1 613.3344 -0.91
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  613.3339 2946510.2 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED122203.txt b/Eawag/MSBNK-EAWAG-ED122203.txt
new file mode 100644
index 0000000000..0b77052c4a
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED122203.txt
@@ -0,0 +1,47 @@
+ACCESSION: MSBNK-EAWAG-ED122203
+RECORD_TITLE: Dihydrospumigin K (and isomers); LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], F. Rios Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1093/femsec/fiaa243
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 1222
+CH$NAME: Dihydrospumigin K (and isomers)
+CH$NAME: (2S)-N-[(2R)-5-(diaminomethylideneamino)-1-hydroxypentan-2-yl]-1-[(2R)-2-[[2-hydroxy-4-(4-hydroxyphenyl)butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H44N6O7
+CH$EXACT_MASS: 612.3271477
+CH$SMILES: OC1=CC=C(CCC(O)C(N[C@H](CC2=CC=C(O)C=C2)C(N3[C@H](C(N[C@H](CCCNC(N)=N)CO)=O)CC(C)C3)=O)=O)C=C1
+CH$IUPAC: InChI=1S/C31H44N6O7/c1-19-15-26(28(42)35-22(18-38)3-2-14-34-31(32)33)37(17-19)30(44)25(16-21-6-11-24(40)12-7-21)36-29(43)27(41)13-8-20-4-9-23(39)10-5-20/h4-7,9-12,19,22,25-27,38-41H,2-3,8,13-18H2,1H3,(H,35,42)(H,36,43)(H4,32,33,34)/t19?,22-,25-,26+,27?/m1/s1
+CH$LINK: PUBCHEM CID:139589787
+CH$LINK: INCHIKEY OYLLIRIQZZWJCJ-CBJUXADFSA-N
+CH$LINK: CHEMSPIDER 78439000
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 64-647
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.374 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 613.3344
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03di-0000009000-5b1c34951fb0e253fba4
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  255.1811 C12H23N4O2+ 2 255.1816 -1.8
+  613.3341 C31H45N6O7+ 1 613.3344 -0.51
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  255.1811 127324.4 50
+  613.3341 2501966.5 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED122204.txt b/Eawag/MSBNK-EAWAG-ED122204.txt
new file mode 100644
index 0000000000..1c3e597764
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED122204.txt
@@ -0,0 +1,47 @@
+ACCESSION: MSBNK-EAWAG-ED122204
+RECORD_TITLE: Dihydrospumigin K (and isomers); LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], F. Rios Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1093/femsec/fiaa243
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 1222
+CH$NAME: Dihydrospumigin K (and isomers)
+CH$NAME: (2S)-N-[(2R)-5-(diaminomethylideneamino)-1-hydroxypentan-2-yl]-1-[(2R)-2-[[2-hydroxy-4-(4-hydroxyphenyl)butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H44N6O7
+CH$EXACT_MASS: 612.3271477
+CH$SMILES: OC1=CC=C(CCC(O)C(N[C@H](CC2=CC=C(O)C=C2)C(N3[C@H](C(N[C@H](CCCNC(N)=N)CO)=O)CC(C)C3)=O)=O)C=C1
+CH$IUPAC: InChI=1S/C31H44N6O7/c1-19-15-26(28(42)35-22(18-38)3-2-14-34-31(32)33)37(17-19)30(44)25(16-21-6-11-24(40)12-7-21)36-29(43)27(41)13-8-20-4-9-23(39)10-5-20/h4-7,9-12,19,22,25-27,38-41H,2-3,8,13-18H2,1H3,(H,35,42)(H,36,43)(H4,32,33,34)/t19?,22-,25-,26+,27?/m1/s1
+CH$LINK: PUBCHEM CID:139589787
+CH$LINK: INCHIKEY OYLLIRIQZZWJCJ-CBJUXADFSA-N
+CH$LINK: CHEMSPIDER 78439000
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 64-647
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.374 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 613.3344
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03di-0020009000-83b932712731cf9b40ec
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  255.1811 C12H23N4O2+ 2 255.1816 -1.8
+  613.3345 C31H45N6O7+ 1 613.3344 0.19
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  255.1811 405103.2 246
+  613.3345 1639439.5 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED122205.txt b/Eawag/MSBNK-EAWAG-ED122205.txt
new file mode 100644
index 0000000000..cc05d4610e
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED122205.txt
@@ -0,0 +1,59 @@
+ACCESSION: MSBNK-EAWAG-ED122205
+RECORD_TITLE: Dihydrospumigin K (and isomers); LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], F. Rios Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1093/femsec/fiaa243
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 1222
+CH$NAME: Dihydrospumigin K (and isomers)
+CH$NAME: (2S)-N-[(2R)-5-(diaminomethylideneamino)-1-hydroxypentan-2-yl]-1-[(2R)-2-[[2-hydroxy-4-(4-hydroxyphenyl)butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H44N6O7
+CH$EXACT_MASS: 612.3271477
+CH$SMILES: OC1=CC=C(CCC(O)C(N[C@H](CC2=CC=C(O)C=C2)C(N3[C@H](C(N[C@H](CCCNC(N)=N)CO)=O)CC(C)C3)=O)=O)C=C1
+CH$IUPAC: InChI=1S/C31H44N6O7/c1-19-15-26(28(42)35-22(18-38)3-2-14-34-31(32)33)37(17-19)30(44)25(16-21-6-11-24(40)12-7-21)36-29(43)27(41)13-8-20-4-9-23(39)10-5-20/h4-7,9-12,19,22,25-27,38-41H,2-3,8,13-18H2,1H3,(H,35,42)(H,36,43)(H4,32,33,34)/t19?,22-,25-,26+,27?/m1/s1
+CH$LINK: PUBCHEM CID:139589787
+CH$LINK: INCHIKEY OYLLIRIQZZWJCJ-CBJUXADFSA-N
+CH$LINK: CHEMSPIDER 78439000
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 64-647
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.374 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 613.3344
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-01qi-8901002000-44811fce9c45fa9678d4
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  84.0808 C5H10N+ 1 84.0808 -0.14
+  102.0913 C5H12NO+ 1 102.0913 -0.14
+  136.0755 C8H10NO+ 1 136.0757 -1.37
+  154.0971 C7H12N3O+ 1 154.0975 -2.52
+  155.0813 C7H11N2O2+ 1 155.0815 -1.15
+  272.2074 C12H26N5O2+ 2 272.2081 -2.67
+  314.1384 C16H18N4O3+ 2 314.1373 3.38
+  613.3354 C31H45N6O7+ 1 613.3344 1.58
+PK$NUM_PEAK: 8
+PK$PEAK: m/z int. rel.int.
+  84.0808 568031.4 999
+  102.0913 85039.1 149
+  136.0755 341282.5 600
+  154.0971 145487 255
+  155.0813 49294.2 86
+  272.2074 52195.2 91
+  314.1384 135497.2 238
+  613.3354 161146.8 283
+//
diff --git a/Eawag/MSBNK-EAWAG-ED122206.txt b/Eawag/MSBNK-EAWAG-ED122206.txt
new file mode 100644
index 0000000000..7d92760c22
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED122206.txt
@@ -0,0 +1,57 @@
+ACCESSION: MSBNK-EAWAG-ED122206
+RECORD_TITLE: Dihydrospumigin K (and isomers); LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], F. Rios Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1093/femsec/fiaa243
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 1222
+CH$NAME: Dihydrospumigin K (and isomers)
+CH$NAME: (2S)-N-[(2R)-5-(diaminomethylideneamino)-1-hydroxypentan-2-yl]-1-[(2R)-2-[[2-hydroxy-4-(4-hydroxyphenyl)butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H44N6O7
+CH$EXACT_MASS: 612.3271477
+CH$SMILES: OC1=CC=C(CCC(O)C(N[C@H](CC2=CC=C(O)C=C2)C(N3[C@H](C(N[C@H](CCCNC(N)=N)CO)=O)CC(C)C3)=O)=O)C=C1
+CH$IUPAC: InChI=1S/C31H44N6O7/c1-19-15-26(28(42)35-22(18-38)3-2-14-34-31(32)33)37(17-19)30(44)25(16-21-6-11-24(40)12-7-21)36-29(43)27(41)13-8-20-4-9-23(39)10-5-20/h4-7,9-12,19,22,25-27,38-41H,2-3,8,13-18H2,1H3,(H,35,42)(H,36,43)(H4,32,33,34)/t19?,22-,25-,26+,27?/m1/s1
+CH$LINK: PUBCHEM CID:139589787
+CH$LINK: INCHIKEY OYLLIRIQZZWJCJ-CBJUXADFSA-N
+CH$LINK: CHEMSPIDER 78439000
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 64-647
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.374 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 613.3344
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-001r-6900000000-890f7197a74f79a0332b
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  84.0808 C5H10N+ 1 84.0808 0.04
+  102.0913 C5H12NO+ 1 102.0913 -0.29
+  136.0755 C8H10NO+ 1 136.0757 -1.14
+  144.113 C6H14N3O+ 1 144.1131 -0.63
+  154.0973 C7H12N3O+ 1 154.0975 -1.13
+  155.0812 C7H11N2O2+ 1 155.0815 -2.13
+  255.1811 C12H23N4O2+ 2 255.1816 -1.8
+PK$NUM_PEAK: 7
+PK$PEAK: m/z int. rel.int.
+  84.0808 817115.2 999
+  102.0913 118098.3 144
+  136.0755 699706.7 855
+  144.113 94593.4 115
+  154.0973 98392.6 120
+  155.0812 53794.4 65
+  255.1811 49810.7 60
+//
diff --git a/Eawag/MSBNK-EAWAG-ED122207.txt b/Eawag/MSBNK-EAWAG-ED122207.txt
new file mode 100644
index 0000000000..2220c867fd
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED122207.txt
@@ -0,0 +1,57 @@
+ACCESSION: MSBNK-EAWAG-ED122207
+RECORD_TITLE: Dihydrospumigin K (and isomers); LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], F. Rios Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1093/femsec/fiaa243
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 1222
+CH$NAME: Dihydrospumigin K (and isomers)
+CH$NAME: (2S)-N-[(2R)-5-(diaminomethylideneamino)-1-hydroxypentan-2-yl]-1-[(2R)-2-[[2-hydroxy-4-(4-hydroxyphenyl)butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H44N6O7
+CH$EXACT_MASS: 612.3271477
+CH$SMILES: OC1=CC=C(CCC(O)C(N[C@H](CC2=CC=C(O)C=C2)C(N3[C@H](C(N[C@H](CCCNC(N)=N)CO)=O)CC(C)C3)=O)=O)C=C1
+CH$IUPAC: InChI=1S/C31H44N6O7/c1-19-15-26(28(42)35-22(18-38)3-2-14-34-31(32)33)37(17-19)30(44)25(16-21-6-11-24(40)12-7-21)36-29(43)27(41)13-8-20-4-9-23(39)10-5-20/h4-7,9-12,19,22,25-27,38-41H,2-3,8,13-18H2,1H3,(H,35,42)(H,36,43)(H4,32,33,34)/t19?,22-,25-,26+,27?/m1/s1
+CH$LINK: PUBCHEM CID:139589787
+CH$LINK: INCHIKEY OYLLIRIQZZWJCJ-CBJUXADFSA-N
+CH$LINK: CHEMSPIDER 78439000
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 64-647
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.374 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 613.3344
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-001r-8900000000-c45f8febd37c36453eae
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  84.0808 C5H10N+ 1 84.0808 0.04
+  91.0542 C7H7+ 1 91.0542 -0.62
+  102.0914 C5H12NO+ 1 102.0913 0.53
+  107.0491 C7H7O+ 1 107.0491 -0.65
+  119.049 C8H7O+ 1 119.0491 -0.91
+  136.0755 C8H10NO+ 1 136.0757 -1.25
+  144.1129 C6H14N3O+ 1 144.1131 -1.48
+PK$NUM_PEAK: 7
+PK$PEAK: m/z int. rel.int.
+  84.0808 890903.4 999
+  91.0542 64711.5 72
+  102.0914 88240.1 98
+  107.0491 60965.6 68
+  119.049 75352.4 84
+  136.0755 726877.8 815
+  144.1129 57816.8 64
+//
diff --git a/Eawag/MSBNK-EAWAG-ED122208.txt b/Eawag/MSBNK-EAWAG-ED122208.txt
new file mode 100644
index 0000000000..96aec0b595
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED122208.txt
@@ -0,0 +1,55 @@
+ACCESSION: MSBNK-EAWAG-ED122208
+RECORD_TITLE: Dihydrospumigin K (and isomers); LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], F. Rios Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1093/femsec/fiaa243
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 1222
+CH$NAME: Dihydrospumigin K (and isomers)
+CH$NAME: (2S)-N-[(2R)-5-(diaminomethylideneamino)-1-hydroxypentan-2-yl]-1-[(2R)-2-[[2-hydroxy-4-(4-hydroxyphenyl)butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H44N6O7
+CH$EXACT_MASS: 612.3271477
+CH$SMILES: OC1=CC=C(CCC(O)C(N[C@H](CC2=CC=C(O)C=C2)C(N3[C@H](C(N[C@H](CCCNC(N)=N)CO)=O)CC(C)C3)=O)=O)C=C1
+CH$IUPAC: InChI=1S/C31H44N6O7/c1-19-15-26(28(42)35-22(18-38)3-2-14-34-31(32)33)37(17-19)30(44)25(16-21-6-11-24(40)12-7-21)36-29(43)27(41)13-8-20-4-9-23(39)10-5-20/h4-7,9-12,19,22,25-27,38-41H,2-3,8,13-18H2,1H3,(H,35,42)(H,36,43)(H4,32,33,34)/t19?,22-,25-,26+,27?/m1/s1
+CH$LINK: PUBCHEM CID:139589787
+CH$LINK: INCHIKEY OYLLIRIQZZWJCJ-CBJUXADFSA-N
+CH$LINK: CHEMSPIDER 78439000
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 64-647
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.374 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 613.3344
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-001r-9700000000-2bd2d13622c1b71893d5
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  84.0808 C5H10N+ 1 84.0808 -0.05
+  91.0542 C7H7+ 1 91.0542 -0.12
+  102.0913 C5H12NO+ 1 102.0913 -0.52
+  107.0491 C7H7O+ 1 107.0491 -0.65
+  119.0491 C8H7O+ 1 119.0491 -0.27
+  136.0755 C8H10NO+ 1 136.0757 -1.25
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  84.0808 894558.4 999
+  91.0542 169557.6 189
+  102.0913 65207.9 72
+  107.0491 94722.4 105
+  119.0491 155267.1 173
+  136.0755 610825 682
+//
diff --git a/Eawag/MSBNK-EAWAG-ED122209.txt b/Eawag/MSBNK-EAWAG-ED122209.txt
new file mode 100644
index 0000000000..225d01742b
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED122209.txt
@@ -0,0 +1,55 @@
+ACCESSION: MSBNK-EAWAG-ED122209
+RECORD_TITLE: Dihydrospumigin K (and isomers); LC-ESI-QFT; MS2; CE: 80%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], F. Rios Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1093/femsec/fiaa243
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 1222
+CH$NAME: Dihydrospumigin K (and isomers)
+CH$NAME: (2S)-N-[(2R)-5-(diaminomethylideneamino)-1-hydroxypentan-2-yl]-1-[(2R)-2-[[2-hydroxy-4-(4-hydroxyphenyl)butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H44N6O7
+CH$EXACT_MASS: 612.3271477
+CH$SMILES: OC1=CC=C(CCC(O)C(N[C@H](CC2=CC=C(O)C=C2)C(N3[C@H](C(N[C@H](CCCNC(N)=N)CO)=O)CC(C)C3)=O)=O)C=C1
+CH$IUPAC: InChI=1S/C31H44N6O7/c1-19-15-26(28(42)35-22(18-38)3-2-14-34-31(32)33)37(17-19)30(44)25(16-21-6-11-24(40)12-7-21)36-29(43)27(41)13-8-20-4-9-23(39)10-5-20/h4-7,9-12,19,22,25-27,38-41H,2-3,8,13-18H2,1H3,(H,35,42)(H,36,43)(H4,32,33,34)/t19?,22-,25-,26+,27?/m1/s1
+CH$LINK: PUBCHEM CID:139589787
+CH$LINK: INCHIKEY OYLLIRIQZZWJCJ-CBJUXADFSA-N
+CH$LINK: CHEMSPIDER 78439000
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 64-647
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.374 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 613.3344
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-001i-9400000000-005d99ea40dc63802d79
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  67.0543 C5H7+ 1 67.0542 1.34
+  84.0807 C5H10N+ 1 84.0808 -0.42
+  91.0542 C7H7+ 1 91.0542 -0.2
+  107.0491 C7H7O+ 1 107.0491 -0.65
+  119.0489 C8H7O+ 1 119.0491 -1.81
+  136.0755 C8H10NO+ 1 136.0757 -1.59
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  67.0543 37778.6 47
+  84.0807 787014.2 999
+  91.0542 335567.3 425
+  107.0491 91210.6 115
+  119.0489 168950 214
+  136.0755 370479 470
+//
diff --git a/Eawag/MSBNK-EAWAG-ED122301.txt b/Eawag/MSBNK-EAWAG-ED122301.txt
new file mode 100644
index 0000000000..e63d6a50bf
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED122301.txt
@@ -0,0 +1,45 @@
+ACCESSION: MSBNK-EAWAG-ED122301
+RECORD_TITLE: Dihydrospumigin L (and isomers); LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], F. Rios Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1093/femsec/fiaa243
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 1223
+CH$NAME: Dihydrospumigin L (and isomers)
+CH$NAME: (2S)-N-((S)-5-guanidino-1-hydroxypentan-2-yl)-1-((2-hydroxy-4-(4-hydroxyphenyl)butanoyl)-D-tyrosyl)-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H44N6O7
+CH$EXACT_MASS: 612.3271477
+CH$SMILES: OC1=CC=C(CCC(O)C(N[C@H](CC2=CC=C(O)C=C2)C(N3[C@H](C(N[C@@H](CCCNC(N)=N)CO)=O)CC(C)C3)=O)=O)C=C1
+CH$IUPAC: InChI=1S/C31H44N6O7/c1-19-15-26(28(42)35-22(18-38)3-2-14-34-31(32)33)37(17-19)30(44)25(16-21-6-11-24(40)12-7-21)36-29(43)27(41)13-8-20-4-9-23(39)10-5-20/h4-7,9-12,19,22,25-27,38-41H,2-3,8,13-18H2,1H3,(H,35,42)(H,36,43)(H4,32,33,34)/t19?,22-,25+,26-,27?/m0/s1
+CH$LINK: PUBCHEM CID:139589788
+CH$LINK: INCHIKEY OYLLIRIQZZWJCJ-SNPABIAHSA-N
+CH$LINK: CHEMSPIDER 78439001
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 64-647
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.374 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 613.3344
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03di-0000009000-1dfa9b42384c03c6e487
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  613.3337 C31H45N6O7+ 1 613.3344 -1.11
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  613.3337 3018142.5 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED122302.txt b/Eawag/MSBNK-EAWAG-ED122302.txt
new file mode 100644
index 0000000000..e9d606b5a1
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED122302.txt
@@ -0,0 +1,45 @@
+ACCESSION: MSBNK-EAWAG-ED122302
+RECORD_TITLE: Dihydrospumigin L (and isomers); LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], F. Rios Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1093/femsec/fiaa243
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 1223
+CH$NAME: Dihydrospumigin L (and isomers)
+CH$NAME: (2S)-N-((S)-5-guanidino-1-hydroxypentan-2-yl)-1-((2-hydroxy-4-(4-hydroxyphenyl)butanoyl)-D-tyrosyl)-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H44N6O7
+CH$EXACT_MASS: 612.3271477
+CH$SMILES: OC1=CC=C(CCC(O)C(N[C@H](CC2=CC=C(O)C=C2)C(N3[C@H](C(N[C@@H](CCCNC(N)=N)CO)=O)CC(C)C3)=O)=O)C=C1
+CH$IUPAC: InChI=1S/C31H44N6O7/c1-19-15-26(28(42)35-22(18-38)3-2-14-34-31(32)33)37(17-19)30(44)25(16-21-6-11-24(40)12-7-21)36-29(43)27(41)13-8-20-4-9-23(39)10-5-20/h4-7,9-12,19,22,25-27,38-41H,2-3,8,13-18H2,1H3,(H,35,42)(H,36,43)(H4,32,33,34)/t19?,22-,25+,26-,27?/m0/s1
+CH$LINK: PUBCHEM CID:139589788
+CH$LINK: INCHIKEY OYLLIRIQZZWJCJ-SNPABIAHSA-N
+CH$LINK: CHEMSPIDER 78439001
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 64-647
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.374 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 613.3344
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03di-0000009000-6630e10a6807adfe4658
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  613.3339 C31H45N6O7+ 1 613.3344 -0.91
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  613.3339 2946510.2 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED122303.txt b/Eawag/MSBNK-EAWAG-ED122303.txt
new file mode 100644
index 0000000000..b7a5637c6c
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED122303.txt
@@ -0,0 +1,47 @@
+ACCESSION: MSBNK-EAWAG-ED122303
+RECORD_TITLE: Dihydrospumigin L (and isomers); LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], F. Rios Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1093/femsec/fiaa243
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 1223
+CH$NAME: Dihydrospumigin L (and isomers)
+CH$NAME: (2S)-N-((S)-5-guanidino-1-hydroxypentan-2-yl)-1-((2-hydroxy-4-(4-hydroxyphenyl)butanoyl)-D-tyrosyl)-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H44N6O7
+CH$EXACT_MASS: 612.3271477
+CH$SMILES: OC1=CC=C(CCC(O)C(N[C@H](CC2=CC=C(O)C=C2)C(N3[C@H](C(N[C@@H](CCCNC(N)=N)CO)=O)CC(C)C3)=O)=O)C=C1
+CH$IUPAC: InChI=1S/C31H44N6O7/c1-19-15-26(28(42)35-22(18-38)3-2-14-34-31(32)33)37(17-19)30(44)25(16-21-6-11-24(40)12-7-21)36-29(43)27(41)13-8-20-4-9-23(39)10-5-20/h4-7,9-12,19,22,25-27,38-41H,2-3,8,13-18H2,1H3,(H,35,42)(H,36,43)(H4,32,33,34)/t19?,22-,25+,26-,27?/m0/s1
+CH$LINK: PUBCHEM CID:139589788
+CH$LINK: INCHIKEY OYLLIRIQZZWJCJ-SNPABIAHSA-N
+CH$LINK: CHEMSPIDER 78439001
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 64-647
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.374 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 613.3344
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03di-0000009000-5b1c34951fb0e253fba4
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  255.1811 C12H23N4O2+ 2 255.1816 -1.8
+  613.3341 C31H45N6O7+ 1 613.3344 -0.51
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  255.1811 127324.4 50
+  613.3341 2501966.5 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED122304.txt b/Eawag/MSBNK-EAWAG-ED122304.txt
new file mode 100644
index 0000000000..7b6cdd7d69
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED122304.txt
@@ -0,0 +1,47 @@
+ACCESSION: MSBNK-EAWAG-ED122304
+RECORD_TITLE: Dihydrospumigin L (and isomers); LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], F. Rios Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1093/femsec/fiaa243
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 1223
+CH$NAME: Dihydrospumigin L (and isomers)
+CH$NAME: (2S)-N-((S)-5-guanidino-1-hydroxypentan-2-yl)-1-((2-hydroxy-4-(4-hydroxyphenyl)butanoyl)-D-tyrosyl)-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H44N6O7
+CH$EXACT_MASS: 612.3271477
+CH$SMILES: OC1=CC=C(CCC(O)C(N[C@H](CC2=CC=C(O)C=C2)C(N3[C@H](C(N[C@@H](CCCNC(N)=N)CO)=O)CC(C)C3)=O)=O)C=C1
+CH$IUPAC: InChI=1S/C31H44N6O7/c1-19-15-26(28(42)35-22(18-38)3-2-14-34-31(32)33)37(17-19)30(44)25(16-21-6-11-24(40)12-7-21)36-29(43)27(41)13-8-20-4-9-23(39)10-5-20/h4-7,9-12,19,22,25-27,38-41H,2-3,8,13-18H2,1H3,(H,35,42)(H,36,43)(H4,32,33,34)/t19?,22-,25+,26-,27?/m0/s1
+CH$LINK: PUBCHEM CID:139589788
+CH$LINK: INCHIKEY OYLLIRIQZZWJCJ-SNPABIAHSA-N
+CH$LINK: CHEMSPIDER 78439001
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 64-647
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.374 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 613.3344
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03di-0020009000-83b932712731cf9b40ec
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  255.1811 C12H23N4O2+ 2 255.1816 -1.8
+  613.3345 C31H45N6O7+ 1 613.3344 0.19
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  255.1811 405103.2 246
+  613.3345 1639439.5 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED122305.txt b/Eawag/MSBNK-EAWAG-ED122305.txt
new file mode 100644
index 0000000000..a26f7a9757
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED122305.txt
@@ -0,0 +1,59 @@
+ACCESSION: MSBNK-EAWAG-ED122305
+RECORD_TITLE: Dihydrospumigin L (and isomers); LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], F. Rios Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1093/femsec/fiaa243
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 1223
+CH$NAME: Dihydrospumigin L (and isomers)
+CH$NAME: (2S)-N-((S)-5-guanidino-1-hydroxypentan-2-yl)-1-((2-hydroxy-4-(4-hydroxyphenyl)butanoyl)-D-tyrosyl)-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H44N6O7
+CH$EXACT_MASS: 612.3271477
+CH$SMILES: OC1=CC=C(CCC(O)C(N[C@H](CC2=CC=C(O)C=C2)C(N3[C@H](C(N[C@@H](CCCNC(N)=N)CO)=O)CC(C)C3)=O)=O)C=C1
+CH$IUPAC: InChI=1S/C31H44N6O7/c1-19-15-26(28(42)35-22(18-38)3-2-14-34-31(32)33)37(17-19)30(44)25(16-21-6-11-24(40)12-7-21)36-29(43)27(41)13-8-20-4-9-23(39)10-5-20/h4-7,9-12,19,22,25-27,38-41H,2-3,8,13-18H2,1H3,(H,35,42)(H,36,43)(H4,32,33,34)/t19?,22-,25+,26-,27?/m0/s1
+CH$LINK: PUBCHEM CID:139589788
+CH$LINK: INCHIKEY OYLLIRIQZZWJCJ-SNPABIAHSA-N
+CH$LINK: CHEMSPIDER 78439001
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 64-647
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.374 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 613.3344
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-01qi-8901002000-44811fce9c45fa9678d4
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  84.0808 C5H10N+ 1 84.0808 -0.14
+  102.0913 C5H12NO+ 1 102.0913 -0.14
+  136.0755 C8H10NO+ 1 136.0757 -1.37
+  154.0971 C7H12N3O+ 1 154.0975 -2.52
+  155.0813 C7H11N2O2+ 1 155.0815 -1.15
+  272.2074 C12H26N5O2+ 2 272.2081 -2.67
+  314.1384 C16H18N4O3+ 2 314.1373 3.38
+  613.3354 C31H45N6O7+ 1 613.3344 1.58
+PK$NUM_PEAK: 8
+PK$PEAK: m/z int. rel.int.
+  84.0808 568031.4 999
+  102.0913 85039.1 149
+  136.0755 341282.5 600
+  154.0971 145487 255
+  155.0813 49294.2 86
+  272.2074 52195.2 91
+  314.1384 135497.2 238
+  613.3354 161146.8 283
+//
diff --git a/Eawag/MSBNK-EAWAG-ED122306.txt b/Eawag/MSBNK-EAWAG-ED122306.txt
new file mode 100644
index 0000000000..3261c5109c
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED122306.txt
@@ -0,0 +1,57 @@
+ACCESSION: MSBNK-EAWAG-ED122306
+RECORD_TITLE: Dihydrospumigin L (and isomers); LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], F. Rios Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1093/femsec/fiaa243
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 1223
+CH$NAME: Dihydrospumigin L (and isomers)
+CH$NAME: (2S)-N-((S)-5-guanidino-1-hydroxypentan-2-yl)-1-((2-hydroxy-4-(4-hydroxyphenyl)butanoyl)-D-tyrosyl)-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H44N6O7
+CH$EXACT_MASS: 612.3271477
+CH$SMILES: OC1=CC=C(CCC(O)C(N[C@H](CC2=CC=C(O)C=C2)C(N3[C@H](C(N[C@@H](CCCNC(N)=N)CO)=O)CC(C)C3)=O)=O)C=C1
+CH$IUPAC: InChI=1S/C31H44N6O7/c1-19-15-26(28(42)35-22(18-38)3-2-14-34-31(32)33)37(17-19)30(44)25(16-21-6-11-24(40)12-7-21)36-29(43)27(41)13-8-20-4-9-23(39)10-5-20/h4-7,9-12,19,22,25-27,38-41H,2-3,8,13-18H2,1H3,(H,35,42)(H,36,43)(H4,32,33,34)/t19?,22-,25+,26-,27?/m0/s1
+CH$LINK: PUBCHEM CID:139589788
+CH$LINK: INCHIKEY OYLLIRIQZZWJCJ-SNPABIAHSA-N
+CH$LINK: CHEMSPIDER 78439001
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 64-647
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.374 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 613.3344
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-001r-6900000000-890f7197a74f79a0332b
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  84.0808 C5H10N+ 1 84.0808 0.04
+  102.0913 C5H12NO+ 1 102.0913 -0.29
+  136.0755 C8H10NO+ 1 136.0757 -1.14
+  144.113 C6H14N3O+ 1 144.1131 -0.63
+  154.0973 C7H12N3O+ 1 154.0975 -1.13
+  155.0812 C7H11N2O2+ 1 155.0815 -2.13
+  255.1811 C12H23N4O2+ 2 255.1816 -1.8
+PK$NUM_PEAK: 7
+PK$PEAK: m/z int. rel.int.
+  84.0808 817115.2 999
+  102.0913 118098.3 144
+  136.0755 699706.7 855
+  144.113 94593.4 115
+  154.0973 98392.6 120
+  155.0812 53794.4 65
+  255.1811 49810.7 60
+//
diff --git a/Eawag/MSBNK-EAWAG-ED122307.txt b/Eawag/MSBNK-EAWAG-ED122307.txt
new file mode 100644
index 0000000000..c33c49b141
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED122307.txt
@@ -0,0 +1,57 @@
+ACCESSION: MSBNK-EAWAG-ED122307
+RECORD_TITLE: Dihydrospumigin L (and isomers); LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], F. Rios Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1093/femsec/fiaa243
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 1223
+CH$NAME: Dihydrospumigin L (and isomers)
+CH$NAME: (2S)-N-((S)-5-guanidino-1-hydroxypentan-2-yl)-1-((2-hydroxy-4-(4-hydroxyphenyl)butanoyl)-D-tyrosyl)-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H44N6O7
+CH$EXACT_MASS: 612.3271477
+CH$SMILES: OC1=CC=C(CCC(O)C(N[C@H](CC2=CC=C(O)C=C2)C(N3[C@H](C(N[C@@H](CCCNC(N)=N)CO)=O)CC(C)C3)=O)=O)C=C1
+CH$IUPAC: InChI=1S/C31H44N6O7/c1-19-15-26(28(42)35-22(18-38)3-2-14-34-31(32)33)37(17-19)30(44)25(16-21-6-11-24(40)12-7-21)36-29(43)27(41)13-8-20-4-9-23(39)10-5-20/h4-7,9-12,19,22,25-27,38-41H,2-3,8,13-18H2,1H3,(H,35,42)(H,36,43)(H4,32,33,34)/t19?,22-,25+,26-,27?/m0/s1
+CH$LINK: PUBCHEM CID:139589788
+CH$LINK: INCHIKEY OYLLIRIQZZWJCJ-SNPABIAHSA-N
+CH$LINK: CHEMSPIDER 78439001
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 64-647
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.374 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 613.3344
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-001r-8900000000-c45f8febd37c36453eae
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  84.0808 C5H10N+ 1 84.0808 0.04
+  91.0542 C7H7+ 1 91.0542 -0.62
+  102.0914 C5H12NO+ 1 102.0913 0.53
+  107.0491 C7H7O+ 1 107.0491 -0.65
+  119.049 C8H7O+ 1 119.0491 -0.91
+  136.0755 C8H10NO+ 1 136.0757 -1.25
+  144.1129 C6H14N3O+ 1 144.1131 -1.48
+PK$NUM_PEAK: 7
+PK$PEAK: m/z int. rel.int.
+  84.0808 890903.4 999
+  91.0542 64711.5 72
+  102.0914 88240.1 98
+  107.0491 60965.6 68
+  119.049 75352.4 84
+  136.0755 726877.8 815
+  144.1129 57816.8 64
+//
diff --git a/Eawag/MSBNK-EAWAG-ED122308.txt b/Eawag/MSBNK-EAWAG-ED122308.txt
new file mode 100644
index 0000000000..a41cc3a34b
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED122308.txt
@@ -0,0 +1,55 @@
+ACCESSION: MSBNK-EAWAG-ED122308
+RECORD_TITLE: Dihydrospumigin L (and isomers); LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], F. Rios Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1093/femsec/fiaa243
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 1223
+CH$NAME: Dihydrospumigin L (and isomers)
+CH$NAME: (2S)-N-((S)-5-guanidino-1-hydroxypentan-2-yl)-1-((2-hydroxy-4-(4-hydroxyphenyl)butanoyl)-D-tyrosyl)-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H44N6O7
+CH$EXACT_MASS: 612.3271477
+CH$SMILES: OC1=CC=C(CCC(O)C(N[C@H](CC2=CC=C(O)C=C2)C(N3[C@H](C(N[C@@H](CCCNC(N)=N)CO)=O)CC(C)C3)=O)=O)C=C1
+CH$IUPAC: InChI=1S/C31H44N6O7/c1-19-15-26(28(42)35-22(18-38)3-2-14-34-31(32)33)37(17-19)30(44)25(16-21-6-11-24(40)12-7-21)36-29(43)27(41)13-8-20-4-9-23(39)10-5-20/h4-7,9-12,19,22,25-27,38-41H,2-3,8,13-18H2,1H3,(H,35,42)(H,36,43)(H4,32,33,34)/t19?,22-,25+,26-,27?/m0/s1
+CH$LINK: PUBCHEM CID:139589788
+CH$LINK: INCHIKEY OYLLIRIQZZWJCJ-SNPABIAHSA-N
+CH$LINK: CHEMSPIDER 78439001
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 64-647
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.374 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 613.3344
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-001r-9700000000-2bd2d13622c1b71893d5
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  84.0808 C5H10N+ 1 84.0808 -0.05
+  91.0542 C7H7+ 1 91.0542 -0.12
+  102.0913 C5H12NO+ 1 102.0913 -0.52
+  107.0491 C7H7O+ 1 107.0491 -0.65
+  119.0491 C8H7O+ 1 119.0491 -0.27
+  136.0755 C8H10NO+ 1 136.0757 -1.25
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  84.0808 894558.4 999
+  91.0542 169557.6 189
+  102.0913 65207.9 72
+  107.0491 94722.4 105
+  119.0491 155267.1 173
+  136.0755 610825 682
+//
diff --git a/Eawag/MSBNK-EAWAG-ED122309.txt b/Eawag/MSBNK-EAWAG-ED122309.txt
new file mode 100644
index 0000000000..7813b17e63
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED122309.txt
@@ -0,0 +1,55 @@
+ACCESSION: MSBNK-EAWAG-ED122309
+RECORD_TITLE: Dihydrospumigin L (and isomers); LC-ESI-QFT; MS2; CE: 80%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], F. Rios Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1093/femsec/fiaa243
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 1223
+CH$NAME: Dihydrospumigin L (and isomers)
+CH$NAME: (2S)-N-((S)-5-guanidino-1-hydroxypentan-2-yl)-1-((2-hydroxy-4-(4-hydroxyphenyl)butanoyl)-D-tyrosyl)-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H44N6O7
+CH$EXACT_MASS: 612.3271477
+CH$SMILES: OC1=CC=C(CCC(O)C(N[C@H](CC2=CC=C(O)C=C2)C(N3[C@H](C(N[C@@H](CCCNC(N)=N)CO)=O)CC(C)C3)=O)=O)C=C1
+CH$IUPAC: InChI=1S/C31H44N6O7/c1-19-15-26(28(42)35-22(18-38)3-2-14-34-31(32)33)37(17-19)30(44)25(16-21-6-11-24(40)12-7-21)36-29(43)27(41)13-8-20-4-9-23(39)10-5-20/h4-7,9-12,19,22,25-27,38-41H,2-3,8,13-18H2,1H3,(H,35,42)(H,36,43)(H4,32,33,34)/t19?,22-,25+,26-,27?/m0/s1
+CH$LINK: PUBCHEM CID:139589788
+CH$LINK: INCHIKEY OYLLIRIQZZWJCJ-SNPABIAHSA-N
+CH$LINK: CHEMSPIDER 78439001
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 64-647
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.374 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 613.3344
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-001i-9400000000-005d99ea40dc63802d79
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  67.0543 C5H7+ 1 67.0542 1.34
+  84.0807 C5H10N+ 1 84.0808 -0.42
+  91.0542 C7H7+ 1 91.0542 -0.2
+  107.0491 C7H7O+ 1 107.0491 -0.65
+  119.0489 C8H7O+ 1 119.0491 -1.81
+  136.0755 C8H10NO+ 1 136.0757 -1.59
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  67.0543 37778.6 47
+  84.0807 787014.2 999
+  91.0542 335567.3 425
+  107.0491 91210.6 115
+  119.0489 168950 214
+  136.0755 370479 470
+//
diff --git a/Eawag/MSBNK-EAWAG-ED122801.txt b/Eawag/MSBNK-EAWAG-ED122801.txt
new file mode 100644
index 0000000000..c4a7f54cc4
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED122801.txt
@@ -0,0 +1,50 @@
+ACCESSION: MSBNK-EAWAG-ED122801
+RECORD_TITLE: Spumigin E (and isomers); LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], F. Rios Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1093/femsec/fiaa243
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 1228
+CH$NAME: Spumigin E (and isomers)
+CH$NAME: (2S,4S)-N-[5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1-[(2R)-2-[[(2R)-2-hydroxy-3-(4-hydroxyphenyl)propanoyl]amino]-4-(4-hydroxyphenyl)butanoyl]-4-methylpyrrolidine-2-carboxamide
+CH$NAME: (2S,4S)-N-(5-guanidino-1-oxopentan-2-yl)-1-((R)-2-((R)-2-hydroxy-3-(4-hydroxyphenyl)propanamido)-4-(4-hydroxyphenyl)butanoyl)-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H42N6O7
+CH$EXACT_MASS: 610.3114977
+CH$SMILES: C[C@H]1C[C@H](N(C1)C(=O)[C@@H](CCC2=CC=C(C=C2)O)NC(=O)[C@@H](CC3=CC=C(C=C3)O)O)C(=O)NC(CCCN=C(N)N)C=O
+CH$IUPAC: InChI=1S/C31H42N6O7/c1-19-15-26(28(42)35-22(18-38)3-2-14-34-31(32)33)37(17-19)30(44)25(13-8-20-4-9-23(39)10-5-20)36-29(43)27(41)16-21-6-11-24(40)12-7-21/h4-7,9-12,18-19,22,25-27,39-41H,2-3,8,13-17H2,1H3,(H,35,42)(H,36,43)(H4,32,33,34)/t19-,22?,25+,26-,27+/m0/s1
+CH$LINK: PUBCHEM CID:71449303
+CH$LINK: INCHIKEY GNEMRCVXTBTWCG-NBJYBXKZSA-N
+CH$LINK: CHEMSPIDER 28650262
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 64-645
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.080 min
+MS$FOCUSED_ION: BASE_PEAK 132.9582
+MS$FOCUSED_ION: PRECURSOR_M/Z 611.3188
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-01ox-0000095000-8e1537d7df4806239ec5
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  551.2859 C30H39N4O6+ 1 551.2864 -0.9
+  593.3082 C31H41N6O6+ 1 593.3082 -0.09
+  611.3189 C31H43N6O7+ 1 611.3188 0.23
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  551.2859 458617.4 76
+  593.3082 5969758 999
+  611.3189 3811053 637
+//
diff --git a/Eawag/MSBNK-EAWAG-ED122802.txt b/Eawag/MSBNK-EAWAG-ED122802.txt
new file mode 100644
index 0000000000..cf3d0c917d
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED122802.txt
@@ -0,0 +1,50 @@
+ACCESSION: MSBNK-EAWAG-ED122802
+RECORD_TITLE: Spumigin E (and isomers); LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], F. Rios Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1093/femsec/fiaa243
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 1228
+CH$NAME: Spumigin E (and isomers)
+CH$NAME: (2S,4S)-N-[5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1-[(2R)-2-[[(2R)-2-hydroxy-3-(4-hydroxyphenyl)propanoyl]amino]-4-(4-hydroxyphenyl)butanoyl]-4-methylpyrrolidine-2-carboxamide
+CH$NAME: (2S,4S)-N-(5-guanidino-1-oxopentan-2-yl)-1-((R)-2-((R)-2-hydroxy-3-(4-hydroxyphenyl)propanamido)-4-(4-hydroxyphenyl)butanoyl)-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H42N6O7
+CH$EXACT_MASS: 610.3114977
+CH$SMILES: C[C@H]1C[C@H](N(C1)C(=O)[C@@H](CCC2=CC=C(C=C2)O)NC(=O)[C@@H](CC3=CC=C(C=C3)O)O)C(=O)NC(CCCN=C(N)N)C=O
+CH$IUPAC: InChI=1S/C31H42N6O7/c1-19-15-26(28(42)35-22(18-38)3-2-14-34-31(32)33)37(17-19)30(44)25(13-8-20-4-9-23(39)10-5-20)36-29(43)27(41)16-21-6-11-24(40)12-7-21/h4-7,9-12,18-19,22,25-27,39-41H,2-3,8,13-17H2,1H3,(H,35,42)(H,36,43)(H4,32,33,34)/t19-,22?,25+,26-,27+/m0/s1
+CH$LINK: PUBCHEM CID:71449303
+CH$LINK: INCHIKEY GNEMRCVXTBTWCG-NBJYBXKZSA-N
+CH$LINK: CHEMSPIDER 28650262
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 64-645
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.080 min
+MS$FOCUSED_ION: BASE_PEAK 132.9582
+MS$FOCUSED_ION: PRECURSOR_M/Z 611.3188
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0006-0000093000-7967e09451e3de679f71
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  551.2862 C30H39N4O6+ 1 551.2864 -0.35
+  593.3083 C31H41N6O6+ 1 593.3082 0.11
+  611.319 C31H43N6O7+ 1 611.3188 0.33
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  551.2862 758498.9 118
+  593.3083 6403811.5 999
+  611.319 2996318 467
+//
diff --git a/Eawag/MSBNK-EAWAG-ED122803.txt b/Eawag/MSBNK-EAWAG-ED122803.txt
new file mode 100644
index 0000000000..55454cb8d7
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED122803.txt
@@ -0,0 +1,52 @@
+ACCESSION: MSBNK-EAWAG-ED122803
+RECORD_TITLE: Spumigin E (and isomers); LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], F. Rios Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1093/femsec/fiaa243
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 1228
+CH$NAME: Spumigin E (and isomers)
+CH$NAME: (2S,4S)-N-[5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1-[(2R)-2-[[(2R)-2-hydroxy-3-(4-hydroxyphenyl)propanoyl]amino]-4-(4-hydroxyphenyl)butanoyl]-4-methylpyrrolidine-2-carboxamide
+CH$NAME: (2S,4S)-N-(5-guanidino-1-oxopentan-2-yl)-1-((R)-2-((R)-2-hydroxy-3-(4-hydroxyphenyl)propanamido)-4-(4-hydroxyphenyl)butanoyl)-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H42N6O7
+CH$EXACT_MASS: 610.3114977
+CH$SMILES: C[C@H]1C[C@H](N(C1)C(=O)[C@@H](CCC2=CC=C(C=C2)O)NC(=O)[C@@H](CC3=CC=C(C=C3)O)O)C(=O)NC(CCCN=C(N)N)C=O
+CH$IUPAC: InChI=1S/C31H42N6O7/c1-19-15-26(28(42)35-22(18-38)3-2-14-34-31(32)33)37(17-19)30(44)25(13-8-20-4-9-23(39)10-5-20)36-29(43)27(41)16-21-6-11-24(40)12-7-21/h4-7,9-12,18-19,22,25-27,39-41H,2-3,8,13-17H2,1H3,(H,35,42)(H,36,43)(H4,32,33,34)/t19-,22?,25+,26-,27+/m0/s1
+CH$LINK: PUBCHEM CID:71449303
+CH$LINK: INCHIKEY GNEMRCVXTBTWCG-NBJYBXKZSA-N
+CH$LINK: CHEMSPIDER 28650262
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 64-645
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.080 min
+MS$FOCUSED_ION: BASE_PEAK 132.9582
+MS$FOCUSED_ION: PRECURSOR_M/Z 611.3188
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0006-0000092000-547cbf6e4827f8eeff7b
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  84.0808 C5H10N+ 1 84.0808 0.49
+  551.286 C30H39N4O6+ 1 551.2864 -0.68
+  593.3081 C31H41N6O6+ 1 593.3082 -0.19
+  611.3189 C31H43N6O7+ 1 611.3188 0.13
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  84.0808 275461 48
+  551.286 997200.8 175
+  593.3081 5676432.5 999
+  611.3189 1782383.6 313
+//
diff --git a/Eawag/MSBNK-EAWAG-ED122804.txt b/Eawag/MSBNK-EAWAG-ED122804.txt
new file mode 100644
index 0000000000..a464305643
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED122804.txt
@@ -0,0 +1,64 @@
+ACCESSION: MSBNK-EAWAG-ED122804
+RECORD_TITLE: Spumigin E (and isomers); LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], F. Rios Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1093/femsec/fiaa243
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 1228
+CH$NAME: Spumigin E (and isomers)
+CH$NAME: (2S,4S)-N-[5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1-[(2R)-2-[[(2R)-2-hydroxy-3-(4-hydroxyphenyl)propanoyl]amino]-4-(4-hydroxyphenyl)butanoyl]-4-methylpyrrolidine-2-carboxamide
+CH$NAME: (2S,4S)-N-(5-guanidino-1-oxopentan-2-yl)-1-((R)-2-((R)-2-hydroxy-3-(4-hydroxyphenyl)propanamido)-4-(4-hydroxyphenyl)butanoyl)-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H42N6O7
+CH$EXACT_MASS: 610.3114977
+CH$SMILES: C[C@H]1C[C@H](N(C1)C(=O)[C@@H](CCC2=CC=C(C=C2)O)NC(=O)[C@@H](CC3=CC=C(C=C3)O)O)C(=O)NC(CCCN=C(N)N)C=O
+CH$IUPAC: InChI=1S/C31H42N6O7/c1-19-15-26(28(42)35-22(18-38)3-2-14-34-31(32)33)37(17-19)30(44)25(13-8-20-4-9-23(39)10-5-20)36-29(43)27(41)16-21-6-11-24(40)12-7-21/h4-7,9-12,18-19,22,25-27,39-41H,2-3,8,13-17H2,1H3,(H,35,42)(H,36,43)(H4,32,33,34)/t19-,22?,25+,26-,27+/m0/s1
+CH$LINK: PUBCHEM CID:71449303
+CH$LINK: INCHIKEY GNEMRCVXTBTWCG-NBJYBXKZSA-N
+CH$LINK: CHEMSPIDER 28650262
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 64-645
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.080 min
+MS$FOCUSED_ION: BASE_PEAK 132.9582
+MS$FOCUSED_ION: PRECURSOR_M/Z 611.3188
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0006-2000091000-7af0d6f15d20a8841c84
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  84.0808 C5H10N+ 1 84.0808 0.04
+  136.0757 C8H10NO+ 1 136.0757 -0.13
+  165.1382 C10H17N2+ 1 165.1386 -2.44
+  235.1548 C12H19N4O+ 2 235.1553 -2.14
+  253.1657 C12H21N4O2+ 2 253.1659 -0.85
+  314.1384 C18H20NO4+ 2 314.1387 -0.9
+  342.1329 C19H20NO5+ 2 342.1336 -1.96
+  551.2861 C30H39N4O6+ 1 551.2864 -0.57
+  593.308 C31H41N6O6+ 1 593.3082 -0.3
+  611.3186 C31H43N6O7+ 1 611.3188 -0.27
+PK$NUM_PEAK: 10
+PK$PEAK: m/z int. rel.int.
+  84.0808 1216821.2 325
+  136.0757 49555.8 13
+  165.1382 287647.9 76
+  235.1548 156848.4 41
+  253.1657 95946.1 25
+  314.1384 206074.8 55
+  342.1329 194755 52
+  551.2861 861922.6 230
+  593.308 3732086.5 999
+  611.3186 688871.6 184
+//
diff --git a/Eawag/MSBNK-EAWAG-ED122805.txt b/Eawag/MSBNK-EAWAG-ED122805.txt
new file mode 100644
index 0000000000..a90c229ac5
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED122805.txt
@@ -0,0 +1,74 @@
+ACCESSION: MSBNK-EAWAG-ED122805
+RECORD_TITLE: Spumigin E (and isomers); LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], F. Rios Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1093/femsec/fiaa243
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 1228
+CH$NAME: Spumigin E (and isomers)
+CH$NAME: (2S,4S)-N-[5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1-[(2R)-2-[[(2R)-2-hydroxy-3-(4-hydroxyphenyl)propanoyl]amino]-4-(4-hydroxyphenyl)butanoyl]-4-methylpyrrolidine-2-carboxamide
+CH$NAME: (2S,4S)-N-(5-guanidino-1-oxopentan-2-yl)-1-((R)-2-((R)-2-hydroxy-3-(4-hydroxyphenyl)propanamido)-4-(4-hydroxyphenyl)butanoyl)-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H42N6O7
+CH$EXACT_MASS: 610.3114977
+CH$SMILES: C[C@H]1C[C@H](N(C1)C(=O)[C@@H](CCC2=CC=C(C=C2)O)NC(=O)[C@@H](CC3=CC=C(C=C3)O)O)C(=O)NC(CCCN=C(N)N)C=O
+CH$IUPAC: InChI=1S/C31H42N6O7/c1-19-15-26(28(42)35-22(18-38)3-2-14-34-31(32)33)37(17-19)30(44)25(13-8-20-4-9-23(39)10-5-20)36-29(43)27(41)16-21-6-11-24(40)12-7-21/h4-7,9-12,18-19,22,25-27,39-41H,2-3,8,13-17H2,1H3,(H,35,42)(H,36,43)(H4,32,33,34)/t19-,22?,25+,26-,27+/m0/s1
+CH$LINK: PUBCHEM CID:71449303
+CH$LINK: INCHIKEY GNEMRCVXTBTWCG-NBJYBXKZSA-N
+CH$LINK: CHEMSPIDER 28650262
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 64-645
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.080 min
+MS$FOCUSED_ION: BASE_PEAK 132.9582
+MS$FOCUSED_ION: PRECURSOR_M/Z 611.3188
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-01q9-9642000000-15a0585d1410457e9cb1
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  84.0808 C5H10N+ 1 84.0808 0.76
+  99.0917 C5H11N2+ 1 99.0917 0.23
+  124.087 C6H10N3+ 1 124.0869 0.89
+  136.0756 C8H10NO+ 1 136.0757 -0.47
+  141.1133 C6H13N4+ 1 141.1135 -0.95
+  142.0972 C6H12N3O+ 1 142.0975 -1.73
+  165.1384 C10H17N2+ 1 165.1386 -1.61
+  193.1331 C11H17N2O+ 2 193.1335 -2.08
+  210.1595 C11H20N3O+ 2 210.1601 -2.63
+  235.1549 C12H19N4O+ 2 235.1553 -1.82
+  252.1814 C12H22N5O+ 2 252.1819 -1.93
+  253.1657 C12H21N4O2+ 2 253.1659 -0.91
+  314.1385 C18H20NO4+ 3 314.1387 -0.51
+  342.1335 C19H20NO5+ 3 342.1336 -0.17
+  593.3077 C31H41N6O6+ 1 593.3082 -0.81
+PK$NUM_PEAK: 15
+PK$PEAK: m/z int. rel.int.
+  84.0808 2781703.5 999
+  99.0917 117904.2 42
+  124.087 29641.7 10
+  136.0756 787941.7 282
+  141.1133 64508.7 23
+  142.0972 67429.6 24
+  165.1384 976142.3 350
+  193.1331 176729.6 63
+  210.1595 995667.4 357
+  235.1549 191149.3 68
+  252.1814 95846 34
+  253.1657 87782.6 31
+  314.1385 643683.1 231
+  342.1335 89025.2 31
+  593.3077 304514.8 109
+//
diff --git a/Eawag/MSBNK-EAWAG-ED122806.txt b/Eawag/MSBNK-EAWAG-ED122806.txt
new file mode 100644
index 0000000000..6d392313c5
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED122806.txt
@@ -0,0 +1,80 @@
+ACCESSION: MSBNK-EAWAG-ED122806
+RECORD_TITLE: Spumigin E (and isomers); LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], F. Rios Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1093/femsec/fiaa243
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 1228
+CH$NAME: Spumigin E (and isomers)
+CH$NAME: (2S,4S)-N-[5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1-[(2R)-2-[[(2R)-2-hydroxy-3-(4-hydroxyphenyl)propanoyl]amino]-4-(4-hydroxyphenyl)butanoyl]-4-methylpyrrolidine-2-carboxamide
+CH$NAME: (2S,4S)-N-(5-guanidino-1-oxopentan-2-yl)-1-((R)-2-((R)-2-hydroxy-3-(4-hydroxyphenyl)propanamido)-4-(4-hydroxyphenyl)butanoyl)-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H42N6O7
+CH$EXACT_MASS: 610.3114977
+CH$SMILES: C[C@H]1C[C@H](N(C1)C(=O)[C@@H](CCC2=CC=C(C=C2)O)NC(=O)[C@@H](CC3=CC=C(C=C3)O)O)C(=O)NC(CCCN=C(N)N)C=O
+CH$IUPAC: InChI=1S/C31H42N6O7/c1-19-15-26(28(42)35-22(18-38)3-2-14-34-31(32)33)37(17-19)30(44)25(13-8-20-4-9-23(39)10-5-20)36-29(43)27(41)16-21-6-11-24(40)12-7-21/h4-7,9-12,18-19,22,25-27,39-41H,2-3,8,13-17H2,1H3,(H,35,42)(H,36,43)(H4,32,33,34)/t19-,22?,25+,26-,27+/m0/s1
+CH$LINK: PUBCHEM CID:71449303
+CH$LINK: INCHIKEY GNEMRCVXTBTWCG-NBJYBXKZSA-N
+CH$LINK: CHEMSPIDER 28650262
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 64-645
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.080 min
+MS$FOCUSED_ION: BASE_PEAK 132.9582
+MS$FOCUSED_ION: PRECURSOR_M/Z 611.3188
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-001r-8900000000-c81e91a6230ac72bf09d
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  82.0653 C5H8N+ 1 82.0651 2.52
+  84.0808 C5H10N+ 1 84.0808 0.4
+  91.0544 C7H7+ 1 91.0542 1.98
+  99.0917 C5H11N2+ 1 99.0917 0.15
+  100.0757 C5H10NO+ 1 100.0757 0.45
+  107.0492 C7H7O+ 1 107.0491 0.42
+  119.0492 C8H7O+ 1 119.0491 0.24
+  124.087 C6H10N3+ 1 124.0869 0.7
+  127.0866 C6H11N2O+ 1 127.0866 0.25
+  136.0756 C8H10NO+ 1 136.0757 -0.69
+  141.1134 C6H13N4+ 1 141.1135 -0.3
+  142.0976 C6H12N3O+ 1 142.0975 0.95
+  154.0973 C7H12N3O+ 1 154.0975 -1.23
+  165.1383 C10H17N2+ 1 165.1386 -2.07
+  193.133 C11H17N2O+ 2 193.1335 -2.95
+  210.1596 C11H20N3O+ 2 210.1601 -2.55
+  235.1551 C12H19N4O+ 2 235.1553 -1.04
+  314.1386 C18H20NO4+ 3 314.1387 -0.12
+PK$NUM_PEAK: 18
+PK$PEAK: m/z int. rel.int.
+  82.0653 54574 18
+  84.0808 2897526.8 999
+  91.0544 36734.4 12
+  99.0917 194297.2 66
+  100.0757 143026.8 49
+  107.0492 80443.3 27
+  119.0492 49762.6 17
+  124.087 44659 15
+  127.0866 76011.8 26
+  136.0756 1908331.6 657
+  141.1134 39869 13
+  142.0976 59866.9 20
+  154.0973 37394.3 12
+  165.1383 798781.3 275
+  193.133 176177.5 60
+  210.1596 225996.2 77
+  235.1551 51704 17
+  314.1386 213970 73
+//
diff --git a/Eawag/MSBNK-EAWAG-ED122807.txt b/Eawag/MSBNK-EAWAG-ED122807.txt
new file mode 100644
index 0000000000..ee2bc2287b
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED122807.txt
@@ -0,0 +1,72 @@
+ACCESSION: MSBNK-EAWAG-ED122807
+RECORD_TITLE: Spumigin E (and isomers); LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], F. Rios Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1093/femsec/fiaa243
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 1228
+CH$NAME: Spumigin E (and isomers)
+CH$NAME: (2S,4S)-N-[5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1-[(2R)-2-[[(2R)-2-hydroxy-3-(4-hydroxyphenyl)propanoyl]amino]-4-(4-hydroxyphenyl)butanoyl]-4-methylpyrrolidine-2-carboxamide
+CH$NAME: (2S,4S)-N-(5-guanidino-1-oxopentan-2-yl)-1-((R)-2-((R)-2-hydroxy-3-(4-hydroxyphenyl)propanamido)-4-(4-hydroxyphenyl)butanoyl)-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H42N6O7
+CH$EXACT_MASS: 610.3114977
+CH$SMILES: C[C@H]1C[C@H](N(C1)C(=O)[C@@H](CCC2=CC=C(C=C2)O)NC(=O)[C@@H](CC3=CC=C(C=C3)O)O)C(=O)NC(CCCN=C(N)N)C=O
+CH$IUPAC: InChI=1S/C31H42N6O7/c1-19-15-26(28(42)35-22(18-38)3-2-14-34-31(32)33)37(17-19)30(44)25(13-8-20-4-9-23(39)10-5-20)36-29(43)27(41)16-21-6-11-24(40)12-7-21/h4-7,9-12,18-19,22,25-27,39-41H,2-3,8,13-17H2,1H3,(H,35,42)(H,36,43)(H4,32,33,34)/t19-,22?,25+,26-,27+/m0/s1
+CH$LINK: PUBCHEM CID:71449303
+CH$LINK: INCHIKEY GNEMRCVXTBTWCG-NBJYBXKZSA-N
+CH$LINK: CHEMSPIDER 28650262
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 64-645
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.080 min
+MS$FOCUSED_ION: BASE_PEAK 132.9582
+MS$FOCUSED_ION: PRECURSOR_M/Z 611.3188
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-001r-8900000000-575ccf6f64565fab4807
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  67.0541 C5H7+ 1 67.0542 -1.84
+  82.0651 C5H8N+ 1 82.0651 0.1
+  84.0808 C5H10N+ 1 84.0808 0.58
+  91.0543 C7H7+ 1 91.0542 0.89
+  99.0917 C5H11N2+ 1 99.0917 0.08
+  100.0758 C5H10NO+ 1 100.0757 0.75
+  107.0492 C7H7O+ 1 107.0491 0.27
+  119.0491 C8H7O+ 1 119.0491 -0.4
+  127.0863 C6H11N2O+ 1 127.0866 -1.97
+  136.0756 C8H10NO+ 1 136.0757 -0.69
+  141.1137 C6H13N4+ 1 141.1135 1.64
+  165.1383 C10H17N2+ 1 165.1386 -1.79
+  193.133 C11H17N2O+ 2 193.1335 -2.71
+  210.1597 C11H20N3O+ 2 210.1601 -1.76
+PK$NUM_PEAK: 14
+PK$PEAK: m/z int. rel.int.
+  67.0541 40604.1 13
+  82.0651 98792 33
+  84.0808 2911888 999
+  91.0543 172905.9 59
+  99.0917 223312.5 76
+  100.0758 153376.5 52
+  107.0492 174463.6 59
+  119.0491 223852 76
+  127.0863 49513.3 16
+  136.0756 2324430 797
+  141.1137 31172 10
+  165.1383 577061.1 197
+  193.133 111699.8 38
+  210.1597 44241.4 15
+//
diff --git a/Eawag/MSBNK-EAWAG-ED122808.txt b/Eawag/MSBNK-EAWAG-ED122808.txt
new file mode 100644
index 0000000000..2e9f313c16
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED122808.txt
@@ -0,0 +1,64 @@
+ACCESSION: MSBNK-EAWAG-ED122808
+RECORD_TITLE: Spumigin E (and isomers); LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], F. Rios Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1093/femsec/fiaa243
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 1228
+CH$NAME: Spumigin E (and isomers)
+CH$NAME: (2S,4S)-N-[5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1-[(2R)-2-[[(2R)-2-hydroxy-3-(4-hydroxyphenyl)propanoyl]amino]-4-(4-hydroxyphenyl)butanoyl]-4-methylpyrrolidine-2-carboxamide
+CH$NAME: (2S,4S)-N-(5-guanidino-1-oxopentan-2-yl)-1-((R)-2-((R)-2-hydroxy-3-(4-hydroxyphenyl)propanamido)-4-(4-hydroxyphenyl)butanoyl)-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H42N6O7
+CH$EXACT_MASS: 610.3114977
+CH$SMILES: C[C@H]1C[C@H](N(C1)C(=O)[C@@H](CCC2=CC=C(C=C2)O)NC(=O)[C@@H](CC3=CC=C(C=C3)O)O)C(=O)NC(CCCN=C(N)N)C=O
+CH$IUPAC: InChI=1S/C31H42N6O7/c1-19-15-26(28(42)35-22(18-38)3-2-14-34-31(32)33)37(17-19)30(44)25(13-8-20-4-9-23(39)10-5-20)36-29(43)27(41)16-21-6-11-24(40)12-7-21/h4-7,9-12,18-19,22,25-27,39-41H,2-3,8,13-17H2,1H3,(H,35,42)(H,36,43)(H4,32,33,34)/t19-,22?,25+,26-,27+/m0/s1
+CH$LINK: PUBCHEM CID:71449303
+CH$LINK: INCHIKEY GNEMRCVXTBTWCG-NBJYBXKZSA-N
+CH$LINK: CHEMSPIDER 28650262
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 64-645
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.080 min
+MS$FOCUSED_ION: BASE_PEAK 132.9582
+MS$FOCUSED_ION: PRECURSOR_M/Z 611.3188
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-001r-9700000000-1b1b0e1d6064d1d12fd6
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  67.0543 C5H7+ 1 67.0542 0.54
+  82.0652 C5H8N+ 1 82.0651 1.03
+  84.0809 C5H10N+ 1 84.0808 0.94
+  91.0543 C7H7+ 1 91.0542 1.14
+  99.0917 C5H11N2+ 1 99.0917 0.54
+  100.0758 C5H10NO+ 1 100.0757 1.36
+  107.0492 C7H7O+ 1 107.0491 0.84
+  119.0492 C8H7O+ 1 119.0491 0.24
+  136.0756 C8H10NO+ 1 136.0757 -0.36
+  165.1384 C10H17N2+ 1 165.1386 -1.61
+PK$NUM_PEAK: 10
+PK$PEAK: m/z int. rel.int.
+  67.0543 50275.3 18
+  82.0652 172282.1 62
+  84.0809 2743668.5 999
+  91.0543 520331.4 189
+  99.0917 178447.9 64
+  100.0758 138931.3 50
+  107.0492 253961.5 92
+  119.0492 453500.2 165
+  136.0756 2037209.5 741
+  165.1384 314147 114
+//
diff --git a/Eawag/MSBNK-EAWAG-ED122809.txt b/Eawag/MSBNK-EAWAG-ED122809.txt
new file mode 100644
index 0000000000..c17474295d
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED122809.txt
@@ -0,0 +1,66 @@
+ACCESSION: MSBNK-EAWAG-ED122809
+RECORD_TITLE: Spumigin E (and isomers); LC-ESI-QFT; MS2; CE: 80%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], F. Rios Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1093/femsec/fiaa243
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 1228
+CH$NAME: Spumigin E (and isomers)
+CH$NAME: (2S,4S)-N-[5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1-[(2R)-2-[[(2R)-2-hydroxy-3-(4-hydroxyphenyl)propanoyl]amino]-4-(4-hydroxyphenyl)butanoyl]-4-methylpyrrolidine-2-carboxamide
+CH$NAME: (2S,4S)-N-(5-guanidino-1-oxopentan-2-yl)-1-((R)-2-((R)-2-hydroxy-3-(4-hydroxyphenyl)propanamido)-4-(4-hydroxyphenyl)butanoyl)-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H42N6O7
+CH$EXACT_MASS: 610.3114977
+CH$SMILES: C[C@H]1C[C@H](N(C1)C(=O)[C@@H](CCC2=CC=C(C=C2)O)NC(=O)[C@@H](CC3=CC=C(C=C3)O)O)C(=O)NC(CCCN=C(N)N)C=O
+CH$IUPAC: InChI=1S/C31H42N6O7/c1-19-15-26(28(42)35-22(18-38)3-2-14-34-31(32)33)37(17-19)30(44)25(13-8-20-4-9-23(39)10-5-20)36-29(43)27(41)16-21-6-11-24(40)12-7-21/h4-7,9-12,18-19,22,25-27,39-41H,2-3,8,13-17H2,1H3,(H,35,42)(H,36,43)(H4,32,33,34)/t19-,22?,25+,26-,27+/m0/s1
+CH$LINK: PUBCHEM CID:71449303
+CH$LINK: INCHIKEY GNEMRCVXTBTWCG-NBJYBXKZSA-N
+CH$LINK: CHEMSPIDER 28650262
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 64-645
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.080 min
+MS$FOCUSED_ION: BASE_PEAK 132.9582
+MS$FOCUSED_ION: PRECURSOR_M/Z 611.3188
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-001r-9600000000-0592419a856eea6b6b6d
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  67.0542 C5H7+ 1 67.0542 0.09
+  82.0652 C5H8N+ 1 82.0651 0.85
+  84.0808 C5H10N+ 1 84.0808 0.67
+  91.0543 C7H7+ 1 91.0542 0.89
+  99.0917 C5H11N2+ 1 99.0917 0.61
+  100.0757 C5H10NO+ 1 100.0757 -0.01
+  107.0492 C7H7O+ 1 107.0491 0.56
+  119.0491 C8H7O+ 1 119.0491 -0.33
+  124.0869 C6H10N3+ 1 124.0869 -0.16
+  136.0756 C8H10NO+ 1 136.0757 -0.58
+  165.1382 C10H17N2+ 1 165.1386 -2.53
+PK$NUM_PEAK: 11
+PK$PEAK: m/z int. rel.int.
+  67.0542 71061.4 29
+  82.0652 187537.3 77
+  84.0808 2424348 999
+  91.0543 963125.4 396
+  99.0917 128100.6 52
+  100.0757 122479 50
+  107.0492 346650.2 142
+  119.0491 566102.9 233
+  124.0869 26890.8 11
+  136.0756 1313436.9 541
+  165.1382 152135.9 62
+//
diff --git a/Eawag/MSBNK-EAWAG-ED122851.txt b/Eawag/MSBNK-EAWAG-ED122851.txt
new file mode 100644
index 0000000000..001df5c52d
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED122851.txt
@@ -0,0 +1,50 @@
+ACCESSION: MSBNK-EAWAG-ED122851
+RECORD_TITLE: Spumigin E (and isomers); LC-ESI-QFT; MS2; CE: 15%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], F. Rios Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1093/femsec/fiaa243
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 1228
+CH$NAME: Spumigin E (and isomers)
+CH$NAME: (2S,4S)-N-[5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1-[(2R)-2-[[(2R)-2-hydroxy-3-(4-hydroxyphenyl)propanoyl]amino]-4-(4-hydroxyphenyl)butanoyl]-4-methylpyrrolidine-2-carboxamide
+CH$NAME: (2S,4S)-N-(5-guanidino-1-oxopentan-2-yl)-1-((R)-2-((R)-2-hydroxy-3-(4-hydroxyphenyl)propanamido)-4-(4-hydroxyphenyl)butanoyl)-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H42N6O7
+CH$EXACT_MASS: 610.3114977
+CH$SMILES: C[C@H]1C[C@H](N(C1)C(=O)[C@@H](CCC2=CC=C(C=C2)O)NC(=O)[C@@H](CC3=CC=C(C=C3)O)O)C(=O)NC(CCCN=C(N)N)C=O
+CH$IUPAC: InChI=1S/C31H42N6O7/c1-19-15-26(28(42)35-22(18-38)3-2-14-34-31(32)33)37(17-19)30(44)25(13-8-20-4-9-23(39)10-5-20)36-29(43)27(41)16-21-6-11-24(40)12-7-21/h4-7,9-12,18-19,22,25-27,39-41H,2-3,8,13-17H2,1H3,(H,35,42)(H,36,43)(H4,32,33,34)/t19-,22?,25+,26-,27+/m0/s1
+CH$LINK: PUBCHEM CID:71449303
+CH$LINK: INCHIKEY GNEMRCVXTBTWCG-NBJYBXKZSA-N
+CH$LINK: CHEMSPIDER 28650262
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 64-643
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.711 min
+MS$FOCUSED_ION: BASE_PEAK 146.9383
+MS$FOCUSED_ION: PRECURSOR_M/Z 609.3042
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0a4i-0000009000-a5a81983d42f26567ff9
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  340.1192 C19H18NO5- 3 340.119 0.34
+  503.2628 C24H35N6O6- 2 503.2624 0.8
+  609.3048 C31H41N6O7- 1 609.3042 1.02
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  340.1192 32569.7 13
+  503.2628 50460.2 20
+  609.3048 2464574.8 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED122852.txt b/Eawag/MSBNK-EAWAG-ED122852.txt
new file mode 100644
index 0000000000..a2c47cc957
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED122852.txt
@@ -0,0 +1,50 @@
+ACCESSION: MSBNK-EAWAG-ED122852
+RECORD_TITLE: Spumigin E (and isomers); LC-ESI-QFT; MS2; CE: 20%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], F. Rios Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1093/femsec/fiaa243
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 1228
+CH$NAME: Spumigin E (and isomers)
+CH$NAME: (2S,4S)-N-[5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1-[(2R)-2-[[(2R)-2-hydroxy-3-(4-hydroxyphenyl)propanoyl]amino]-4-(4-hydroxyphenyl)butanoyl]-4-methylpyrrolidine-2-carboxamide
+CH$NAME: (2S,4S)-N-(5-guanidino-1-oxopentan-2-yl)-1-((R)-2-((R)-2-hydroxy-3-(4-hydroxyphenyl)propanamido)-4-(4-hydroxyphenyl)butanoyl)-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H42N6O7
+CH$EXACT_MASS: 610.3114977
+CH$SMILES: C[C@H]1C[C@H](N(C1)C(=O)[C@@H](CCC2=CC=C(C=C2)O)NC(=O)[C@@H](CC3=CC=C(C=C3)O)O)C(=O)NC(CCCN=C(N)N)C=O
+CH$IUPAC: InChI=1S/C31H42N6O7/c1-19-15-26(28(42)35-22(18-38)3-2-14-34-31(32)33)37(17-19)30(44)25(13-8-20-4-9-23(39)10-5-20)36-29(43)27(41)16-21-6-11-24(40)12-7-21/h4-7,9-12,18-19,22,25-27,39-41H,2-3,8,13-17H2,1H3,(H,35,42)(H,36,43)(H4,32,33,34)/t19-,22?,25+,26-,27+/m0/s1
+CH$LINK: PUBCHEM CID:71449303
+CH$LINK: INCHIKEY GNEMRCVXTBTWCG-NBJYBXKZSA-N
+CH$LINK: CHEMSPIDER 28650262
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 64-643
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.711 min
+MS$FOCUSED_ION: BASE_PEAK 146.9383
+MS$FOCUSED_ION: PRECURSOR_M/Z 609.3042
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0a4i-0000019000-1d723408d2422ee14e49
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  234.0765 C10H10N4O3- 2 234.0758 2.63
+  503.2628 C24H35N6O6- 2 503.2624 0.8
+  609.3045 C31H41N6O7- 1 609.3042 0.42
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  234.0765 65959.7 44
+  503.2628 281740.7 190
+  609.3045 1477514.2 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED122853.txt b/Eawag/MSBNK-EAWAG-ED122853.txt
new file mode 100644
index 0000000000..6c9790ea40
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED122853.txt
@@ -0,0 +1,54 @@
+ACCESSION: MSBNK-EAWAG-ED122853
+RECORD_TITLE: Spumigin E (and isomers); LC-ESI-QFT; MS2; CE: 25%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], F. Rios Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1093/femsec/fiaa243
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 1228
+CH$NAME: Spumigin E (and isomers)
+CH$NAME: (2S,4S)-N-[5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1-[(2R)-2-[[(2R)-2-hydroxy-3-(4-hydroxyphenyl)propanoyl]amino]-4-(4-hydroxyphenyl)butanoyl]-4-methylpyrrolidine-2-carboxamide
+CH$NAME: (2S,4S)-N-(5-guanidino-1-oxopentan-2-yl)-1-((R)-2-((R)-2-hydroxy-3-(4-hydroxyphenyl)propanamido)-4-(4-hydroxyphenyl)butanoyl)-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H42N6O7
+CH$EXACT_MASS: 610.3114977
+CH$SMILES: C[C@H]1C[C@H](N(C1)C(=O)[C@@H](CCC2=CC=C(C=C2)O)NC(=O)[C@@H](CC3=CC=C(C=C3)O)O)C(=O)NC(CCCN=C(N)N)C=O
+CH$IUPAC: InChI=1S/C31H42N6O7/c1-19-15-26(28(42)35-22(18-38)3-2-14-34-31(32)33)37(17-19)30(44)25(13-8-20-4-9-23(39)10-5-20)36-29(43)27(41)16-21-6-11-24(40)12-7-21/h4-7,9-12,18-19,22,25-27,39-41H,2-3,8,13-17H2,1H3,(H,35,42)(H,36,43)(H4,32,33,34)/t19-,22?,25+,26-,27+/m0/s1
+CH$LINK: PUBCHEM CID:71449303
+CH$LINK: INCHIKEY GNEMRCVXTBTWCG-NBJYBXKZSA-N
+CH$LINK: CHEMSPIDER 28650262
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 64-643
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.711 min
+MS$FOCUSED_ION: BASE_PEAK 146.9383
+MS$FOCUSED_ION: PRECURSOR_M/Z 609.3042
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0pb9-0061079000-f5f07549eeb9df0a869d
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  234.0764 C10H10N4O3- 2 234.0758 2.37
+  268.177 C12H22N5O2- 2 268.1779 -3.26
+  340.1185 C19H18NO5- 2 340.119 -1.55
+  503.2621 C24H35N6O6- 2 503.2624 -0.54
+  609.3044 C31H41N6O7- 1 609.3042 0.22
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  234.0764 209757.1 382
+  268.177 204054.4 371
+  340.1185 115468.3 210
+  503.2621 467308.3 851
+  609.3044 548183.4 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED122854.txt b/Eawag/MSBNK-EAWAG-ED122854.txt
new file mode 100644
index 0000000000..0ced88daf0
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED122854.txt
@@ -0,0 +1,52 @@
+ACCESSION: MSBNK-EAWAG-ED122854
+RECORD_TITLE: Spumigin E (and isomers); LC-ESI-QFT; MS2; CE: 30%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], F. Rios Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1093/femsec/fiaa243
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 1228
+CH$NAME: Spumigin E (and isomers)
+CH$NAME: (2S,4S)-N-[5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1-[(2R)-2-[[(2R)-2-hydroxy-3-(4-hydroxyphenyl)propanoyl]amino]-4-(4-hydroxyphenyl)butanoyl]-4-methylpyrrolidine-2-carboxamide
+CH$NAME: (2S,4S)-N-(5-guanidino-1-oxopentan-2-yl)-1-((R)-2-((R)-2-hydroxy-3-(4-hydroxyphenyl)propanamido)-4-(4-hydroxyphenyl)butanoyl)-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H42N6O7
+CH$EXACT_MASS: 610.3114977
+CH$SMILES: C[C@H]1C[C@H](N(C1)C(=O)[C@@H](CCC2=CC=C(C=C2)O)NC(=O)[C@@H](CC3=CC=C(C=C3)O)O)C(=O)NC(CCCN=C(N)N)C=O
+CH$IUPAC: InChI=1S/C31H42N6O7/c1-19-15-26(28(42)35-22(18-38)3-2-14-34-31(32)33)37(17-19)30(44)25(13-8-20-4-9-23(39)10-5-20)36-29(43)27(41)16-21-6-11-24(40)12-7-21/h4-7,9-12,18-19,22,25-27,39-41H,2-3,8,13-17H2,1H3,(H,35,42)(H,36,43)(H4,32,33,34)/t19-,22?,25+,26-,27+/m0/s1
+CH$LINK: PUBCHEM CID:71449303
+CH$LINK: INCHIKEY GNEMRCVXTBTWCG-NBJYBXKZSA-N
+CH$LINK: CHEMSPIDER 28650262
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 64-643
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.711 min
+MS$FOCUSED_ION: BASE_PEAK 146.9383
+MS$FOCUSED_ION: PRECURSOR_M/Z 609.3042
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0fsi-0090041000-f29a6ea119fe6b84bfac
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  234.0765 C10H10N4O3- 2 234.0758 2.77
+  268.1771 C12H22N5O2- 2 268.1779 -2.8
+  503.2624 C24H35N6O6- 2 503.2624 0.01
+  609.3056 C31H41N6O7- 1 609.3042 2.32
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  234.0765 333184.1 999
+  268.1771 290394.6 870
+  503.2624 304404.8 912
+  609.3056 102612.3 307
+//
diff --git a/Eawag/MSBNK-EAWAG-ED122901.txt b/Eawag/MSBNK-EAWAG-ED122901.txt
new file mode 100644
index 0000000000..8bc6da6925
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED122901.txt
@@ -0,0 +1,48 @@
+ACCESSION: MSBNK-EAWAG-ED122901
+RECORD_TITLE: Spumigin K (and isomers); LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], F. Rios Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.7b00370
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 1229
+CH$NAME: Spumigin K (and isomers)
+CH$NAME: (2S)-N-(1-carbamimidoyl-2-hydroxypiperidin-3-yl)-1-((2R)-2-(2-hydroxy-4-(4-hydroxyphenyl)butanamido)-3-(4-hydroxyphenyl)propanoyl)-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H42N6O7
+CH$EXACT_MASS: 610.3114977
+CH$SMILES: OC1=CC=C(CCC(O)C(N[C@H](CC2=CC=C(O)C=C2)C(N3[C@H](C(N[C@H](CCCN4C(N)=N)C4O)=O)CC(C)C3)=O)=O)C=C1
+CH$IUPAC: InChI=1S/C31H42N6O7/c1-18-15-25(27(41)34-23-3-2-14-36(29(23)43)31(32)33)37(17-18)30(44)24(16-20-6-11-22(39)12-7-20)35-28(42)26(40)13-8-19-4-9-21(38)10-5-19/h4-7,9-12,18,23-26,29,38-40,43H,2-3,8,13-17H2,1H3,(H3,32,33)(H,34,41)(H,35,42)/t18?,23-,24-,25+,26?,29?/m1/s1
+CH$LINK: PUBCHEM CID:146684839
+CH$LINK: INCHIKEY CUYCVKFWPTWZJN-XLOUHILKSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 64-645
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.080 min
+MS$FOCUSED_ION: BASE_PEAK 132.9582
+MS$FOCUSED_ION: PRECURSOR_M/Z 611.3188
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-01ox-0000095000-8e1537d7df4806239ec5
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  551.2859 C30H39N4O6+ 1 551.2864 -0.9
+  593.3082 C31H41N6O6+ 1 593.3082 -0.09
+  611.3189 C31H43N6O7+ 1 611.3188 0.23
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  551.2859 458617.4 76
+  593.3082 5969758 999
+  611.3189 3811053 637
+//
diff --git a/Eawag/MSBNK-EAWAG-ED122902.txt b/Eawag/MSBNK-EAWAG-ED122902.txt
new file mode 100644
index 0000000000..8af1886f3e
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED122902.txt
@@ -0,0 +1,48 @@
+ACCESSION: MSBNK-EAWAG-ED122902
+RECORD_TITLE: Spumigin K (and isomers); LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], F. Rios Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.7b00370
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 1229
+CH$NAME: Spumigin K (and isomers)
+CH$NAME: (2S)-N-(1-carbamimidoyl-2-hydroxypiperidin-3-yl)-1-((2R)-2-(2-hydroxy-4-(4-hydroxyphenyl)butanamido)-3-(4-hydroxyphenyl)propanoyl)-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H42N6O7
+CH$EXACT_MASS: 610.3114977
+CH$SMILES: OC1=CC=C(CCC(O)C(N[C@H](CC2=CC=C(O)C=C2)C(N3[C@H](C(N[C@H](CCCN4C(N)=N)C4O)=O)CC(C)C3)=O)=O)C=C1
+CH$IUPAC: InChI=1S/C31H42N6O7/c1-18-15-25(27(41)34-23-3-2-14-36(29(23)43)31(32)33)37(17-18)30(44)24(16-20-6-11-22(39)12-7-20)35-28(42)26(40)13-8-19-4-9-21(38)10-5-19/h4-7,9-12,18,23-26,29,38-40,43H,2-3,8,13-17H2,1H3,(H3,32,33)(H,34,41)(H,35,42)/t18?,23-,24-,25+,26?,29?/m1/s1
+CH$LINK: PUBCHEM CID:146684839
+CH$LINK: INCHIKEY CUYCVKFWPTWZJN-XLOUHILKSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 64-645
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.080 min
+MS$FOCUSED_ION: BASE_PEAK 132.9582
+MS$FOCUSED_ION: PRECURSOR_M/Z 611.3188
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0006-0000093000-7967e09451e3de679f71
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  551.2862 C30H39N4O6+ 1 551.2864 -0.35
+  593.3083 C31H41N6O6+ 1 593.3082 0.11
+  611.319 C31H43N6O7+ 1 611.3188 0.33
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  551.2862 758498.9 118
+  593.3083 6403811.5 999
+  611.319 2996318 467
+//
diff --git a/Eawag/MSBNK-EAWAG-ED122903.txt b/Eawag/MSBNK-EAWAG-ED122903.txt
new file mode 100644
index 0000000000..3dc0eb1efe
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED122903.txt
@@ -0,0 +1,50 @@
+ACCESSION: MSBNK-EAWAG-ED122903
+RECORD_TITLE: Spumigin K (and isomers); LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], F. Rios Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.7b00370
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 1229
+CH$NAME: Spumigin K (and isomers)
+CH$NAME: (2S)-N-(1-carbamimidoyl-2-hydroxypiperidin-3-yl)-1-((2R)-2-(2-hydroxy-4-(4-hydroxyphenyl)butanamido)-3-(4-hydroxyphenyl)propanoyl)-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H42N6O7
+CH$EXACT_MASS: 610.3114977
+CH$SMILES: OC1=CC=C(CCC(O)C(N[C@H](CC2=CC=C(O)C=C2)C(N3[C@H](C(N[C@H](CCCN4C(N)=N)C4O)=O)CC(C)C3)=O)=O)C=C1
+CH$IUPAC: InChI=1S/C31H42N6O7/c1-18-15-25(27(41)34-23-3-2-14-36(29(23)43)31(32)33)37(17-18)30(44)24(16-20-6-11-22(39)12-7-20)35-28(42)26(40)13-8-19-4-9-21(38)10-5-19/h4-7,9-12,18,23-26,29,38-40,43H,2-3,8,13-17H2,1H3,(H3,32,33)(H,34,41)(H,35,42)/t18?,23-,24-,25+,26?,29?/m1/s1
+CH$LINK: PUBCHEM CID:146684839
+CH$LINK: INCHIKEY CUYCVKFWPTWZJN-XLOUHILKSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 64-645
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.080 min
+MS$FOCUSED_ION: BASE_PEAK 132.9582
+MS$FOCUSED_ION: PRECURSOR_M/Z 611.3188
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0006-0000092000-547cbf6e4827f8eeff7b
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  84.0808 C5H10N+ 1 84.0808 0.49
+  551.286 C30H39N4O6+ 1 551.2864 -0.68
+  593.3081 C31H41N6O6+ 1 593.3082 -0.19
+  611.3189 C31H43N6O7+ 1 611.3188 0.13
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  84.0808 275461 48
+  551.286 997200.8 175
+  593.3081 5676432.5 999
+  611.3189 1782383.6 313
+//
diff --git a/Eawag/MSBNK-EAWAG-ED122904.txt b/Eawag/MSBNK-EAWAG-ED122904.txt
new file mode 100644
index 0000000000..69884f81fa
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED122904.txt
@@ -0,0 +1,62 @@
+ACCESSION: MSBNK-EAWAG-ED122904
+RECORD_TITLE: Spumigin K (and isomers); LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], F. Rios Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.7b00370
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 1229
+CH$NAME: Spumigin K (and isomers)
+CH$NAME: (2S)-N-(1-carbamimidoyl-2-hydroxypiperidin-3-yl)-1-((2R)-2-(2-hydroxy-4-(4-hydroxyphenyl)butanamido)-3-(4-hydroxyphenyl)propanoyl)-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H42N6O7
+CH$EXACT_MASS: 610.3114977
+CH$SMILES: OC1=CC=C(CCC(O)C(N[C@H](CC2=CC=C(O)C=C2)C(N3[C@H](C(N[C@H](CCCN4C(N)=N)C4O)=O)CC(C)C3)=O)=O)C=C1
+CH$IUPAC: InChI=1S/C31H42N6O7/c1-18-15-25(27(41)34-23-3-2-14-36(29(23)43)31(32)33)37(17-18)30(44)24(16-20-6-11-22(39)12-7-20)35-28(42)26(40)13-8-19-4-9-21(38)10-5-19/h4-7,9-12,18,23-26,29,38-40,43H,2-3,8,13-17H2,1H3,(H3,32,33)(H,34,41)(H,35,42)/t18?,23-,24-,25+,26?,29?/m1/s1
+CH$LINK: PUBCHEM CID:146684839
+CH$LINK: INCHIKEY CUYCVKFWPTWZJN-XLOUHILKSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 64-645
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.080 min
+MS$FOCUSED_ION: BASE_PEAK 132.9582
+MS$FOCUSED_ION: PRECURSOR_M/Z 611.3188
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0006-2000091000-7af0d6f15d20a8841c84
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  84.0808 C5H10N+ 1 84.0808 0.04
+  136.0757 C8H10NO+ 1 136.0757 -0.13
+  165.1382 C10H17N2+ 1 165.1386 -2.44
+  235.1548 C12H19N4O+ 2 235.1553 -2.14
+  253.1657 C12H21N4O2+ 2 253.1659 -0.85
+  314.1384 C18H20NO4+ 2 314.1387 -0.9
+  342.1329 C19H20NO5+ 2 342.1336 -1.96
+  551.2861 C30H39N4O6+ 1 551.2864 -0.57
+  593.308 C31H41N6O6+ 1 593.3082 -0.3
+  611.3186 C31H43N6O7+ 1 611.3188 -0.27
+PK$NUM_PEAK: 10
+PK$PEAK: m/z int. rel.int.
+  84.0808 1216821.2 325
+  136.0757 49555.8 13
+  165.1382 287647.9 76
+  235.1548 156848.4 41
+  253.1657 95946.1 25
+  314.1384 206074.8 55
+  342.1329 194755 52
+  551.2861 861922.6 230
+  593.308 3732086.5 999
+  611.3186 688871.6 184
+//
diff --git a/Eawag/MSBNK-EAWAG-ED122905.txt b/Eawag/MSBNK-EAWAG-ED122905.txt
new file mode 100644
index 0000000000..328eceed95
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED122905.txt
@@ -0,0 +1,72 @@
+ACCESSION: MSBNK-EAWAG-ED122905
+RECORD_TITLE: Spumigin K (and isomers); LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], F. Rios Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.7b00370
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 1229
+CH$NAME: Spumigin K (and isomers)
+CH$NAME: (2S)-N-(1-carbamimidoyl-2-hydroxypiperidin-3-yl)-1-((2R)-2-(2-hydroxy-4-(4-hydroxyphenyl)butanamido)-3-(4-hydroxyphenyl)propanoyl)-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H42N6O7
+CH$EXACT_MASS: 610.3114977
+CH$SMILES: OC1=CC=C(CCC(O)C(N[C@H](CC2=CC=C(O)C=C2)C(N3[C@H](C(N[C@H](CCCN4C(N)=N)C4O)=O)CC(C)C3)=O)=O)C=C1
+CH$IUPAC: InChI=1S/C31H42N6O7/c1-18-15-25(27(41)34-23-3-2-14-36(29(23)43)31(32)33)37(17-18)30(44)24(16-20-6-11-22(39)12-7-20)35-28(42)26(40)13-8-19-4-9-21(38)10-5-19/h4-7,9-12,18,23-26,29,38-40,43H,2-3,8,13-17H2,1H3,(H3,32,33)(H,34,41)(H,35,42)/t18?,23-,24-,25+,26?,29?/m1/s1
+CH$LINK: PUBCHEM CID:146684839
+CH$LINK: INCHIKEY CUYCVKFWPTWZJN-XLOUHILKSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 64-645
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.080 min
+MS$FOCUSED_ION: BASE_PEAK 132.9582
+MS$FOCUSED_ION: PRECURSOR_M/Z 611.3188
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-01q9-9642000000-15a0585d1410457e9cb1
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  84.0808 C5H10N+ 1 84.0808 0.76
+  99.0917 C5H11N2+ 1 99.0917 0.23
+  124.087 C6H10N3+ 1 124.0869 0.89
+  136.0756 C8H10NO+ 1 136.0757 -0.47
+  141.1133 C6H13N4+ 1 141.1135 -0.95
+  142.0972 C6H12N3O+ 1 142.0975 -1.73
+  165.1384 C10H17N2+ 1 165.1386 -1.61
+  193.1331 C11H17N2O+ 2 193.1335 -2.08
+  210.1595 C11H20N3O+ 2 210.1601 -2.63
+  235.1549 C12H19N4O+ 2 235.1553 -1.82
+  252.1814 C12H22N5O+ 2 252.1819 -1.93
+  253.1657 C12H21N4O2+ 2 253.1659 -0.91
+  314.1385 C18H20NO4+ 3 314.1387 -0.51
+  342.1335 C19H20NO5+ 3 342.1336 -0.17
+  593.3077 C31H41N6O6+ 1 593.3082 -0.81
+PK$NUM_PEAK: 15
+PK$PEAK: m/z int. rel.int.
+  84.0808 2781703.5 999
+  99.0917 117904.2 42
+  124.087 29641.7 10
+  136.0756 787941.7 282
+  141.1133 64508.7 23
+  142.0972 67429.6 24
+  165.1384 976142.3 350
+  193.1331 176729.6 63
+  210.1595 995667.4 357
+  235.1549 191149.3 68
+  252.1814 95846 34
+  253.1657 87782.6 31
+  314.1385 643683.1 231
+  342.1335 89025.2 31
+  593.3077 304514.8 109
+//
diff --git a/Eawag/MSBNK-EAWAG-ED122906.txt b/Eawag/MSBNK-EAWAG-ED122906.txt
new file mode 100644
index 0000000000..a3bb0e36f5
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED122906.txt
@@ -0,0 +1,78 @@
+ACCESSION: MSBNK-EAWAG-ED122906
+RECORD_TITLE: Spumigin K (and isomers); LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], F. Rios Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.7b00370
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 1229
+CH$NAME: Spumigin K (and isomers)
+CH$NAME: (2S)-N-(1-carbamimidoyl-2-hydroxypiperidin-3-yl)-1-((2R)-2-(2-hydroxy-4-(4-hydroxyphenyl)butanamido)-3-(4-hydroxyphenyl)propanoyl)-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H42N6O7
+CH$EXACT_MASS: 610.3114977
+CH$SMILES: OC1=CC=C(CCC(O)C(N[C@H](CC2=CC=C(O)C=C2)C(N3[C@H](C(N[C@H](CCCN4C(N)=N)C4O)=O)CC(C)C3)=O)=O)C=C1
+CH$IUPAC: InChI=1S/C31H42N6O7/c1-18-15-25(27(41)34-23-3-2-14-36(29(23)43)31(32)33)37(17-18)30(44)24(16-20-6-11-22(39)12-7-20)35-28(42)26(40)13-8-19-4-9-21(38)10-5-19/h4-7,9-12,18,23-26,29,38-40,43H,2-3,8,13-17H2,1H3,(H3,32,33)(H,34,41)(H,35,42)/t18?,23-,24-,25+,26?,29?/m1/s1
+CH$LINK: PUBCHEM CID:146684839
+CH$LINK: INCHIKEY CUYCVKFWPTWZJN-XLOUHILKSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 64-645
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.080 min
+MS$FOCUSED_ION: BASE_PEAK 132.9582
+MS$FOCUSED_ION: PRECURSOR_M/Z 611.3188
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-001r-8900000000-c81e91a6230ac72bf09d
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  82.0653 C5H8N+ 1 82.0651 2.52
+  84.0808 C5H10N+ 1 84.0808 0.4
+  91.0544 C7H7+ 1 91.0542 1.98
+  99.0917 C5H11N2+ 1 99.0917 0.15
+  100.0757 C5H10NO+ 1 100.0757 0.45
+  107.0492 C7H7O+ 1 107.0491 0.42
+  119.0492 C8H7O+ 1 119.0491 0.24
+  124.087 C6H10N3+ 1 124.0869 0.7
+  127.0866 C6H11N2O+ 1 127.0866 0.25
+  136.0756 C8H10NO+ 1 136.0757 -0.69
+  141.1134 C6H13N4+ 1 141.1135 -0.3
+  142.0976 C6H12N3O+ 1 142.0975 0.95
+  154.0973 C7H12N3O+ 1 154.0975 -1.23
+  165.1383 C10H17N2+ 1 165.1386 -2.07
+  193.133 C11H17N2O+ 2 193.1335 -2.95
+  210.1596 C11H20N3O+ 2 210.1601 -2.55
+  235.1551 C12H19N4O+ 2 235.1553 -1.04
+  314.1386 C18H20NO4+ 3 314.1387 -0.12
+PK$NUM_PEAK: 18
+PK$PEAK: m/z int. rel.int.
+  82.0653 54574 18
+  84.0808 2897526.8 999
+  91.0544 36734.4 12
+  99.0917 194297.2 66
+  100.0757 143026.8 49
+  107.0492 80443.3 27
+  119.0492 49762.6 17
+  124.087 44659 15
+  127.0866 76011.8 26
+  136.0756 1908331.6 657
+  141.1134 39869 13
+  142.0976 59866.9 20
+  154.0973 37394.3 12
+  165.1383 798781.3 275
+  193.133 176177.5 60
+  210.1596 225996.2 77
+  235.1551 51704 17
+  314.1386 213970 73
+//
diff --git a/Eawag/MSBNK-EAWAG-ED122907.txt b/Eawag/MSBNK-EAWAG-ED122907.txt
new file mode 100644
index 0000000000..bf36b16c49
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED122907.txt
@@ -0,0 +1,70 @@
+ACCESSION: MSBNK-EAWAG-ED122907
+RECORD_TITLE: Spumigin K (and isomers); LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], F. Rios Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.7b00370
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 1229
+CH$NAME: Spumigin K (and isomers)
+CH$NAME: (2S)-N-(1-carbamimidoyl-2-hydroxypiperidin-3-yl)-1-((2R)-2-(2-hydroxy-4-(4-hydroxyphenyl)butanamido)-3-(4-hydroxyphenyl)propanoyl)-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H42N6O7
+CH$EXACT_MASS: 610.3114977
+CH$SMILES: OC1=CC=C(CCC(O)C(N[C@H](CC2=CC=C(O)C=C2)C(N3[C@H](C(N[C@H](CCCN4C(N)=N)C4O)=O)CC(C)C3)=O)=O)C=C1
+CH$IUPAC: InChI=1S/C31H42N6O7/c1-18-15-25(27(41)34-23-3-2-14-36(29(23)43)31(32)33)37(17-18)30(44)24(16-20-6-11-22(39)12-7-20)35-28(42)26(40)13-8-19-4-9-21(38)10-5-19/h4-7,9-12,18,23-26,29,38-40,43H,2-3,8,13-17H2,1H3,(H3,32,33)(H,34,41)(H,35,42)/t18?,23-,24-,25+,26?,29?/m1/s1
+CH$LINK: PUBCHEM CID:146684839
+CH$LINK: INCHIKEY CUYCVKFWPTWZJN-XLOUHILKSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 64-645
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.080 min
+MS$FOCUSED_ION: BASE_PEAK 132.9582
+MS$FOCUSED_ION: PRECURSOR_M/Z 611.3188
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-001r-8900000000-575ccf6f64565fab4807
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  67.0541 C5H7+ 1 67.0542 -1.84
+  82.0651 C5H8N+ 1 82.0651 0.1
+  84.0808 C5H10N+ 1 84.0808 0.58
+  91.0543 C7H7+ 1 91.0542 0.89
+  99.0917 C5H11N2+ 1 99.0917 0.08
+  100.0758 C5H10NO+ 1 100.0757 0.75
+  107.0492 C7H7O+ 1 107.0491 0.27
+  119.0491 C8H7O+ 1 119.0491 -0.4
+  127.0863 C6H11N2O+ 1 127.0866 -1.97
+  136.0756 C8H10NO+ 1 136.0757 -0.69
+  141.1137 C6H13N4+ 1 141.1135 1.64
+  165.1383 C10H17N2+ 1 165.1386 -1.79
+  193.133 C11H17N2O+ 2 193.1335 -2.71
+  210.1597 C11H20N3O+ 2 210.1601 -1.76
+PK$NUM_PEAK: 14
+PK$PEAK: m/z int. rel.int.
+  67.0541 40604.1 13
+  82.0651 98792 33
+  84.0808 2911888 999
+  91.0543 172905.9 59
+  99.0917 223312.5 76
+  100.0758 153376.5 52
+  107.0492 174463.6 59
+  119.0491 223852 76
+  127.0863 49513.3 16
+  136.0756 2324430 797
+  141.1137 31172 10
+  165.1383 577061.1 197
+  193.133 111699.8 38
+  210.1597 44241.4 15
+//
diff --git a/Eawag/MSBNK-EAWAG-ED122908.txt b/Eawag/MSBNK-EAWAG-ED122908.txt
new file mode 100644
index 0000000000..f02dfbce22
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED122908.txt
@@ -0,0 +1,62 @@
+ACCESSION: MSBNK-EAWAG-ED122908
+RECORD_TITLE: Spumigin K (and isomers); LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], F. Rios Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.7b00370
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 1229
+CH$NAME: Spumigin K (and isomers)
+CH$NAME: (2S)-N-(1-carbamimidoyl-2-hydroxypiperidin-3-yl)-1-((2R)-2-(2-hydroxy-4-(4-hydroxyphenyl)butanamido)-3-(4-hydroxyphenyl)propanoyl)-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H42N6O7
+CH$EXACT_MASS: 610.3114977
+CH$SMILES: OC1=CC=C(CCC(O)C(N[C@H](CC2=CC=C(O)C=C2)C(N3[C@H](C(N[C@H](CCCN4C(N)=N)C4O)=O)CC(C)C3)=O)=O)C=C1
+CH$IUPAC: InChI=1S/C31H42N6O7/c1-18-15-25(27(41)34-23-3-2-14-36(29(23)43)31(32)33)37(17-18)30(44)24(16-20-6-11-22(39)12-7-20)35-28(42)26(40)13-8-19-4-9-21(38)10-5-19/h4-7,9-12,18,23-26,29,38-40,43H,2-3,8,13-17H2,1H3,(H3,32,33)(H,34,41)(H,35,42)/t18?,23-,24-,25+,26?,29?/m1/s1
+CH$LINK: PUBCHEM CID:146684839
+CH$LINK: INCHIKEY CUYCVKFWPTWZJN-XLOUHILKSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 64-645
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.080 min
+MS$FOCUSED_ION: BASE_PEAK 132.9582
+MS$FOCUSED_ION: PRECURSOR_M/Z 611.3188
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-001r-9700000000-1b1b0e1d6064d1d12fd6
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  67.0543 C5H7+ 1 67.0542 0.54
+  82.0652 C5H8N+ 1 82.0651 1.03
+  84.0809 C5H10N+ 1 84.0808 0.94
+  91.0543 C7H7+ 1 91.0542 1.14
+  99.0917 C5H11N2+ 1 99.0917 0.54
+  100.0758 C5H10NO+ 1 100.0757 1.36
+  107.0492 C7H7O+ 1 107.0491 0.84
+  119.0492 C8H7O+ 1 119.0491 0.24
+  136.0756 C8H10NO+ 1 136.0757 -0.36
+  165.1384 C10H17N2+ 1 165.1386 -1.61
+PK$NUM_PEAK: 10
+PK$PEAK: m/z int. rel.int.
+  67.0543 50275.3 18
+  82.0652 172282.1 62
+  84.0809 2743668.5 999
+  91.0543 520331.4 189
+  99.0917 178447.9 64
+  100.0758 138931.3 50
+  107.0492 253961.5 92
+  119.0492 453500.2 165
+  136.0756 2037209.5 741
+  165.1384 314147 114
+//
diff --git a/Eawag/MSBNK-EAWAG-ED122909.txt b/Eawag/MSBNK-EAWAG-ED122909.txt
new file mode 100644
index 0000000000..ed9dadc1c3
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED122909.txt
@@ -0,0 +1,64 @@
+ACCESSION: MSBNK-EAWAG-ED122909
+RECORD_TITLE: Spumigin K (and isomers); LC-ESI-QFT; MS2; CE: 80%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], F. Rios Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.7b00370
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 1229
+CH$NAME: Spumigin K (and isomers)
+CH$NAME: (2S)-N-(1-carbamimidoyl-2-hydroxypiperidin-3-yl)-1-((2R)-2-(2-hydroxy-4-(4-hydroxyphenyl)butanamido)-3-(4-hydroxyphenyl)propanoyl)-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H42N6O7
+CH$EXACT_MASS: 610.3114977
+CH$SMILES: OC1=CC=C(CCC(O)C(N[C@H](CC2=CC=C(O)C=C2)C(N3[C@H](C(N[C@H](CCCN4C(N)=N)C4O)=O)CC(C)C3)=O)=O)C=C1
+CH$IUPAC: InChI=1S/C31H42N6O7/c1-18-15-25(27(41)34-23-3-2-14-36(29(23)43)31(32)33)37(17-18)30(44)24(16-20-6-11-22(39)12-7-20)35-28(42)26(40)13-8-19-4-9-21(38)10-5-19/h4-7,9-12,18,23-26,29,38-40,43H,2-3,8,13-17H2,1H3,(H3,32,33)(H,34,41)(H,35,42)/t18?,23-,24-,25+,26?,29?/m1/s1
+CH$LINK: PUBCHEM CID:146684839
+CH$LINK: INCHIKEY CUYCVKFWPTWZJN-XLOUHILKSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 64-645
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.080 min
+MS$FOCUSED_ION: BASE_PEAK 132.9582
+MS$FOCUSED_ION: PRECURSOR_M/Z 611.3188
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-001r-9600000000-0592419a856eea6b6b6d
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  67.0542 C5H7+ 1 67.0542 0.09
+  82.0652 C5H8N+ 1 82.0651 0.85
+  84.0808 C5H10N+ 1 84.0808 0.67
+  91.0543 C7H7+ 1 91.0542 0.89
+  99.0917 C5H11N2+ 1 99.0917 0.61
+  100.0757 C5H10NO+ 1 100.0757 -0.01
+  107.0492 C7H7O+ 1 107.0491 0.56
+  119.0491 C8H7O+ 1 119.0491 -0.33
+  124.0869 C6H10N3+ 1 124.0869 -0.16
+  136.0756 C8H10NO+ 1 136.0757 -0.58
+  165.1382 C10H17N2+ 1 165.1386 -2.53
+PK$NUM_PEAK: 11
+PK$PEAK: m/z int. rel.int.
+  67.0542 71061.4 29
+  82.0652 187537.3 77
+  84.0808 2424348 999
+  91.0543 963125.4 396
+  99.0917 128100.6 52
+  100.0757 122479 50
+  107.0492 346650.2 142
+  119.0491 566102.9 233
+  124.0869 26890.8 11
+  136.0756 1313436.9 541
+  165.1382 152135.9 62
+//
diff --git a/Eawag/MSBNK-EAWAG-ED122951.txt b/Eawag/MSBNK-EAWAG-ED122951.txt
new file mode 100644
index 0000000000..2d34369fbf
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED122951.txt
@@ -0,0 +1,48 @@
+ACCESSION: MSBNK-EAWAG-ED122951
+RECORD_TITLE: Spumigin K (and isomers); LC-ESI-QFT; MS2; CE: 15%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], F. Rios Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.7b00370
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 1229
+CH$NAME: Spumigin K (and isomers)
+CH$NAME: (2S)-N-(1-carbamimidoyl-2-hydroxypiperidin-3-yl)-1-((2R)-2-(2-hydroxy-4-(4-hydroxyphenyl)butanamido)-3-(4-hydroxyphenyl)propanoyl)-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H42N6O7
+CH$EXACT_MASS: 610.3114977
+CH$SMILES: OC1=CC=C(CCC(O)C(N[C@H](CC2=CC=C(O)C=C2)C(N3[C@H](C(N[C@H](CCCN4C(N)=N)C4O)=O)CC(C)C3)=O)=O)C=C1
+CH$IUPAC: InChI=1S/C31H42N6O7/c1-18-15-25(27(41)34-23-3-2-14-36(29(23)43)31(32)33)37(17-18)30(44)24(16-20-6-11-22(39)12-7-20)35-28(42)26(40)13-8-19-4-9-21(38)10-5-19/h4-7,9-12,18,23-26,29,38-40,43H,2-3,8,13-17H2,1H3,(H3,32,33)(H,34,41)(H,35,42)/t18?,23-,24-,25+,26?,29?/m1/s1
+CH$LINK: PUBCHEM CID:146684839
+CH$LINK: INCHIKEY CUYCVKFWPTWZJN-XLOUHILKSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 64-643
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.711 min
+MS$FOCUSED_ION: BASE_PEAK 146.9383
+MS$FOCUSED_ION: PRECURSOR_M/Z 609.3042
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0a4i-0000009000-a5a81983d42f26567ff9
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  340.1192 C19H18NO5- 3 340.119 0.34
+  503.2628 C24H35N6O6- 2 503.2624 0.8
+  609.3048 C31H41N6O7- 1 609.3042 1.02
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  340.1192 32569.7 13
+  503.2628 50460.2 20
+  609.3048 2464574.8 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED122952.txt b/Eawag/MSBNK-EAWAG-ED122952.txt
new file mode 100644
index 0000000000..b6a559f8fe
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED122952.txt
@@ -0,0 +1,48 @@
+ACCESSION: MSBNK-EAWAG-ED122952
+RECORD_TITLE: Spumigin K (and isomers); LC-ESI-QFT; MS2; CE: 20%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], F. Rios Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.7b00370
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 1229
+CH$NAME: Spumigin K (and isomers)
+CH$NAME: (2S)-N-(1-carbamimidoyl-2-hydroxypiperidin-3-yl)-1-((2R)-2-(2-hydroxy-4-(4-hydroxyphenyl)butanamido)-3-(4-hydroxyphenyl)propanoyl)-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H42N6O7
+CH$EXACT_MASS: 610.3114977
+CH$SMILES: OC1=CC=C(CCC(O)C(N[C@H](CC2=CC=C(O)C=C2)C(N3[C@H](C(N[C@H](CCCN4C(N)=N)C4O)=O)CC(C)C3)=O)=O)C=C1
+CH$IUPAC: InChI=1S/C31H42N6O7/c1-18-15-25(27(41)34-23-3-2-14-36(29(23)43)31(32)33)37(17-18)30(44)24(16-20-6-11-22(39)12-7-20)35-28(42)26(40)13-8-19-4-9-21(38)10-5-19/h4-7,9-12,18,23-26,29,38-40,43H,2-3,8,13-17H2,1H3,(H3,32,33)(H,34,41)(H,35,42)/t18?,23-,24-,25+,26?,29?/m1/s1
+CH$LINK: PUBCHEM CID:146684839
+CH$LINK: INCHIKEY CUYCVKFWPTWZJN-XLOUHILKSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 64-643
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.711 min
+MS$FOCUSED_ION: BASE_PEAK 146.9383
+MS$FOCUSED_ION: PRECURSOR_M/Z 609.3042
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0a4i-0000019000-1d723408d2422ee14e49
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  234.0765 C10H10N4O3- 2 234.0758 2.63
+  503.2628 C24H35N6O6- 2 503.2624 0.8
+  609.3045 C31H41N6O7- 1 609.3042 0.42
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  234.0765 65959.7 44
+  503.2628 281740.7 190
+  609.3045 1477514.2 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED122953.txt b/Eawag/MSBNK-EAWAG-ED122953.txt
new file mode 100644
index 0000000000..0e6ef3d56b
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED122953.txt
@@ -0,0 +1,52 @@
+ACCESSION: MSBNK-EAWAG-ED122953
+RECORD_TITLE: Spumigin K (and isomers); LC-ESI-QFT; MS2; CE: 25%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], F. Rios Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.7b00370
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 1229
+CH$NAME: Spumigin K (and isomers)
+CH$NAME: (2S)-N-(1-carbamimidoyl-2-hydroxypiperidin-3-yl)-1-((2R)-2-(2-hydroxy-4-(4-hydroxyphenyl)butanamido)-3-(4-hydroxyphenyl)propanoyl)-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H42N6O7
+CH$EXACT_MASS: 610.3114977
+CH$SMILES: OC1=CC=C(CCC(O)C(N[C@H](CC2=CC=C(O)C=C2)C(N3[C@H](C(N[C@H](CCCN4C(N)=N)C4O)=O)CC(C)C3)=O)=O)C=C1
+CH$IUPAC: InChI=1S/C31H42N6O7/c1-18-15-25(27(41)34-23-3-2-14-36(29(23)43)31(32)33)37(17-18)30(44)24(16-20-6-11-22(39)12-7-20)35-28(42)26(40)13-8-19-4-9-21(38)10-5-19/h4-7,9-12,18,23-26,29,38-40,43H,2-3,8,13-17H2,1H3,(H3,32,33)(H,34,41)(H,35,42)/t18?,23-,24-,25+,26?,29?/m1/s1
+CH$LINK: PUBCHEM CID:146684839
+CH$LINK: INCHIKEY CUYCVKFWPTWZJN-XLOUHILKSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 64-643
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.711 min
+MS$FOCUSED_ION: BASE_PEAK 146.9383
+MS$FOCUSED_ION: PRECURSOR_M/Z 609.3042
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0pb9-0061079000-f5f07549eeb9df0a869d
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  234.0764 C10H10N4O3- 2 234.0758 2.37
+  268.177 C12H22N5O2- 2 268.1779 -3.26
+  340.1185 C19H18NO5- 2 340.119 -1.55
+  503.2621 C24H35N6O6- 2 503.2624 -0.54
+  609.3044 C31H41N6O7- 1 609.3042 0.22
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  234.0764 209757.1 382
+  268.177 204054.4 371
+  340.1185 115468.3 210
+  503.2621 467308.3 851
+  609.3044 548183.4 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED122954.txt b/Eawag/MSBNK-EAWAG-ED122954.txt
new file mode 100644
index 0000000000..3752d67b09
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED122954.txt
@@ -0,0 +1,50 @@
+ACCESSION: MSBNK-EAWAG-ED122954
+RECORD_TITLE: Spumigin K (and isomers); LC-ESI-QFT; MS2; CE: 30%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], F. Rios Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.7b00370
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 1229
+CH$NAME: Spumigin K (and isomers)
+CH$NAME: (2S)-N-(1-carbamimidoyl-2-hydroxypiperidin-3-yl)-1-((2R)-2-(2-hydroxy-4-(4-hydroxyphenyl)butanamido)-3-(4-hydroxyphenyl)propanoyl)-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H42N6O7
+CH$EXACT_MASS: 610.3114977
+CH$SMILES: OC1=CC=C(CCC(O)C(N[C@H](CC2=CC=C(O)C=C2)C(N3[C@H](C(N[C@H](CCCN4C(N)=N)C4O)=O)CC(C)C3)=O)=O)C=C1
+CH$IUPAC: InChI=1S/C31H42N6O7/c1-18-15-25(27(41)34-23-3-2-14-36(29(23)43)31(32)33)37(17-18)30(44)24(16-20-6-11-22(39)12-7-20)35-28(42)26(40)13-8-19-4-9-21(38)10-5-19/h4-7,9-12,18,23-26,29,38-40,43H,2-3,8,13-17H2,1H3,(H3,32,33)(H,34,41)(H,35,42)/t18?,23-,24-,25+,26?,29?/m1/s1
+CH$LINK: PUBCHEM CID:146684839
+CH$LINK: INCHIKEY CUYCVKFWPTWZJN-XLOUHILKSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 64-643
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.711 min
+MS$FOCUSED_ION: BASE_PEAK 146.9383
+MS$FOCUSED_ION: PRECURSOR_M/Z 609.3042
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0fsi-0090041000-f29a6ea119fe6b84bfac
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  234.0765 C10H10N4O3- 2 234.0758 2.77
+  268.1771 C12H22N5O2- 2 268.1779 -2.8
+  503.2624 C24H35N6O6- 2 503.2624 0.01
+  609.3056 C31H41N6O7- 1 609.3042 2.32
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  234.0765 333184.1 999
+  268.1771 290394.6 870
+  503.2624 304404.8 912
+  609.3056 102612.3 307
+//
diff --git a/Eawag/MSBNK-EAWAG-ED123001.txt b/Eawag/MSBNK-EAWAG-ED123001.txt
new file mode 100644
index 0000000000..6a453bea7b
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED123001.txt
@@ -0,0 +1,48 @@
+ACCESSION: MSBNK-EAWAG-ED123001
+RECORD_TITLE: Spumigin L (and isomers); LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], F. Rios Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.7b00370
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 1230
+CH$NAME: Spumigin L (and isomers)
+CH$NAME: (2S)-N-[(3S)-1-carbamimidoyl-2-hydroxypiperidin-3-yl]-1-[(2R)-2-[[2-hydroxy-4-(4-hydroxyphenyl)butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H42N6O7
+CH$EXACT_MASS: 610.3114977
+CH$SMILES: OC1=CC=C(CCC(O)C(N[C@H](CC2=CC=C(O)C=C2)C(N3[C@H](C(N[C@@H](CCCN4C(N)=N)C4O)=O)CC(C)C3)=O)=O)C=C1
+CH$IUPAC: InChI=1S/C31H42N6O7/c1-18-15-25(27(41)34-23-3-2-14-36(29(23)43)31(32)33)37(17-18)30(44)24(16-20-6-11-22(39)12-7-20)35-28(42)26(40)13-8-19-4-9-21(38)10-5-19/h4-7,9-12,18,23-26,29,38-40,43H,2-3,8,13-17H2,1H3,(H3,32,33)(H,34,41)(H,35,42)/t18?,23-,24+,25-,26?,29?/m0/s1
+CH$LINK: PUBCHEM CID:146684840
+CH$LINK: INCHIKEY CUYCVKFWPTWZJN-HPGRWYDASA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 64-645
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.080 min
+MS$FOCUSED_ION: BASE_PEAK 132.9582
+MS$FOCUSED_ION: PRECURSOR_M/Z 611.3188
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-01ox-0000095000-8e1537d7df4806239ec5
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  551.2859 C30H39N4O6+ 1 551.2864 -0.9
+  593.3082 C31H41N6O6+ 1 593.3082 -0.09
+  611.3189 C31H43N6O7+ 1 611.3188 0.23
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  551.2859 458617.4 76
+  593.3082 5969758 999
+  611.3189 3811053 637
+//
diff --git a/Eawag/MSBNK-EAWAG-ED123002.txt b/Eawag/MSBNK-EAWAG-ED123002.txt
new file mode 100644
index 0000000000..7742f1d44c
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED123002.txt
@@ -0,0 +1,48 @@
+ACCESSION: MSBNK-EAWAG-ED123002
+RECORD_TITLE: Spumigin L (and isomers); LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], F. Rios Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.7b00370
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 1230
+CH$NAME: Spumigin L (and isomers)
+CH$NAME: (2S)-N-[(3S)-1-carbamimidoyl-2-hydroxypiperidin-3-yl]-1-[(2R)-2-[[2-hydroxy-4-(4-hydroxyphenyl)butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H42N6O7
+CH$EXACT_MASS: 610.3114977
+CH$SMILES: OC1=CC=C(CCC(O)C(N[C@H](CC2=CC=C(O)C=C2)C(N3[C@H](C(N[C@@H](CCCN4C(N)=N)C4O)=O)CC(C)C3)=O)=O)C=C1
+CH$IUPAC: InChI=1S/C31H42N6O7/c1-18-15-25(27(41)34-23-3-2-14-36(29(23)43)31(32)33)37(17-18)30(44)24(16-20-6-11-22(39)12-7-20)35-28(42)26(40)13-8-19-4-9-21(38)10-5-19/h4-7,9-12,18,23-26,29,38-40,43H,2-3,8,13-17H2,1H3,(H3,32,33)(H,34,41)(H,35,42)/t18?,23-,24+,25-,26?,29?/m0/s1
+CH$LINK: PUBCHEM CID:146684840
+CH$LINK: INCHIKEY CUYCVKFWPTWZJN-HPGRWYDASA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 64-645
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.080 min
+MS$FOCUSED_ION: BASE_PEAK 132.9582
+MS$FOCUSED_ION: PRECURSOR_M/Z 611.3188
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0006-0000093000-7967e09451e3de679f71
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  551.2862 C30H39N4O6+ 1 551.2864 -0.35
+  593.3083 C31H41N6O6+ 1 593.3082 0.11
+  611.319 C31H43N6O7+ 1 611.3188 0.33
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  551.2862 758498.9 118
+  593.3083 6403811.5 999
+  611.319 2996318 467
+//
diff --git a/Eawag/MSBNK-EAWAG-ED123003.txt b/Eawag/MSBNK-EAWAG-ED123003.txt
new file mode 100644
index 0000000000..dc20cc17ab
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED123003.txt
@@ -0,0 +1,50 @@
+ACCESSION: MSBNK-EAWAG-ED123003
+RECORD_TITLE: Spumigin L (and isomers); LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], F. Rios Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.7b00370
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 1230
+CH$NAME: Spumigin L (and isomers)
+CH$NAME: (2S)-N-[(3S)-1-carbamimidoyl-2-hydroxypiperidin-3-yl]-1-[(2R)-2-[[2-hydroxy-4-(4-hydroxyphenyl)butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H42N6O7
+CH$EXACT_MASS: 610.3114977
+CH$SMILES: OC1=CC=C(CCC(O)C(N[C@H](CC2=CC=C(O)C=C2)C(N3[C@H](C(N[C@@H](CCCN4C(N)=N)C4O)=O)CC(C)C3)=O)=O)C=C1
+CH$IUPAC: InChI=1S/C31H42N6O7/c1-18-15-25(27(41)34-23-3-2-14-36(29(23)43)31(32)33)37(17-18)30(44)24(16-20-6-11-22(39)12-7-20)35-28(42)26(40)13-8-19-4-9-21(38)10-5-19/h4-7,9-12,18,23-26,29,38-40,43H,2-3,8,13-17H2,1H3,(H3,32,33)(H,34,41)(H,35,42)/t18?,23-,24+,25-,26?,29?/m0/s1
+CH$LINK: PUBCHEM CID:146684840
+CH$LINK: INCHIKEY CUYCVKFWPTWZJN-HPGRWYDASA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 64-645
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.080 min
+MS$FOCUSED_ION: BASE_PEAK 132.9582
+MS$FOCUSED_ION: PRECURSOR_M/Z 611.3188
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0006-0000092000-547cbf6e4827f8eeff7b
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  84.0808 C5H10N+ 1 84.0808 0.49
+  551.286 C30H39N4O6+ 1 551.2864 -0.68
+  593.3081 C31H41N6O6+ 1 593.3082 -0.19
+  611.3189 C31H43N6O7+ 1 611.3188 0.13
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  84.0808 275461 48
+  551.286 997200.8 175
+  593.3081 5676432.5 999
+  611.3189 1782383.6 313
+//
diff --git a/Eawag/MSBNK-EAWAG-ED123004.txt b/Eawag/MSBNK-EAWAG-ED123004.txt
new file mode 100644
index 0000000000..c9fab2c5e8
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED123004.txt
@@ -0,0 +1,62 @@
+ACCESSION: MSBNK-EAWAG-ED123004
+RECORD_TITLE: Spumigin L (and isomers); LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], F. Rios Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.7b00370
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 1230
+CH$NAME: Spumigin L (and isomers)
+CH$NAME: (2S)-N-[(3S)-1-carbamimidoyl-2-hydroxypiperidin-3-yl]-1-[(2R)-2-[[2-hydroxy-4-(4-hydroxyphenyl)butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H42N6O7
+CH$EXACT_MASS: 610.3114977
+CH$SMILES: OC1=CC=C(CCC(O)C(N[C@H](CC2=CC=C(O)C=C2)C(N3[C@H](C(N[C@@H](CCCN4C(N)=N)C4O)=O)CC(C)C3)=O)=O)C=C1
+CH$IUPAC: InChI=1S/C31H42N6O7/c1-18-15-25(27(41)34-23-3-2-14-36(29(23)43)31(32)33)37(17-18)30(44)24(16-20-6-11-22(39)12-7-20)35-28(42)26(40)13-8-19-4-9-21(38)10-5-19/h4-7,9-12,18,23-26,29,38-40,43H,2-3,8,13-17H2,1H3,(H3,32,33)(H,34,41)(H,35,42)/t18?,23-,24+,25-,26?,29?/m0/s1
+CH$LINK: PUBCHEM CID:146684840
+CH$LINK: INCHIKEY CUYCVKFWPTWZJN-HPGRWYDASA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 64-645
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.080 min
+MS$FOCUSED_ION: BASE_PEAK 132.9582
+MS$FOCUSED_ION: PRECURSOR_M/Z 611.3188
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0006-2000091000-7af0d6f15d20a8841c84
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  84.0808 C5H10N+ 1 84.0808 0.04
+  136.0757 C8H10NO+ 1 136.0757 -0.13
+  165.1382 C10H17N2+ 1 165.1386 -2.44
+  235.1548 C12H19N4O+ 2 235.1553 -2.14
+  253.1657 C12H21N4O2+ 2 253.1659 -0.85
+  314.1384 C18H20NO4+ 2 314.1387 -0.9
+  342.1329 C19H20NO5+ 2 342.1336 -1.96
+  551.2861 C30H39N4O6+ 1 551.2864 -0.57
+  593.308 C31H41N6O6+ 1 593.3082 -0.3
+  611.3186 C31H43N6O7+ 1 611.3188 -0.27
+PK$NUM_PEAK: 10
+PK$PEAK: m/z int. rel.int.
+  84.0808 1216821.2 325
+  136.0757 49555.8 13
+  165.1382 287647.9 76
+  235.1548 156848.4 41
+  253.1657 95946.1 25
+  314.1384 206074.8 55
+  342.1329 194755 52
+  551.2861 861922.6 230
+  593.308 3732086.5 999
+  611.3186 688871.6 184
+//
diff --git a/Eawag/MSBNK-EAWAG-ED123005.txt b/Eawag/MSBNK-EAWAG-ED123005.txt
new file mode 100644
index 0000000000..869aa61f9a
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED123005.txt
@@ -0,0 +1,72 @@
+ACCESSION: MSBNK-EAWAG-ED123005
+RECORD_TITLE: Spumigin L (and isomers); LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], F. Rios Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.7b00370
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 1230
+CH$NAME: Spumigin L (and isomers)
+CH$NAME: (2S)-N-[(3S)-1-carbamimidoyl-2-hydroxypiperidin-3-yl]-1-[(2R)-2-[[2-hydroxy-4-(4-hydroxyphenyl)butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H42N6O7
+CH$EXACT_MASS: 610.3114977
+CH$SMILES: OC1=CC=C(CCC(O)C(N[C@H](CC2=CC=C(O)C=C2)C(N3[C@H](C(N[C@@H](CCCN4C(N)=N)C4O)=O)CC(C)C3)=O)=O)C=C1
+CH$IUPAC: InChI=1S/C31H42N6O7/c1-18-15-25(27(41)34-23-3-2-14-36(29(23)43)31(32)33)37(17-18)30(44)24(16-20-6-11-22(39)12-7-20)35-28(42)26(40)13-8-19-4-9-21(38)10-5-19/h4-7,9-12,18,23-26,29,38-40,43H,2-3,8,13-17H2,1H3,(H3,32,33)(H,34,41)(H,35,42)/t18?,23-,24+,25-,26?,29?/m0/s1
+CH$LINK: PUBCHEM CID:146684840
+CH$LINK: INCHIKEY CUYCVKFWPTWZJN-HPGRWYDASA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 64-645
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.080 min
+MS$FOCUSED_ION: BASE_PEAK 132.9582
+MS$FOCUSED_ION: PRECURSOR_M/Z 611.3188
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-01q9-9642000000-15a0585d1410457e9cb1
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  84.0808 C5H10N+ 1 84.0808 0.76
+  99.0917 C5H11N2+ 1 99.0917 0.23
+  124.087 C6H10N3+ 1 124.0869 0.89
+  136.0756 C8H10NO+ 1 136.0757 -0.47
+  141.1133 C6H13N4+ 1 141.1135 -0.95
+  142.0972 C6H12N3O+ 1 142.0975 -1.73
+  165.1384 C10H17N2+ 1 165.1386 -1.61
+  193.1331 C11H17N2O+ 2 193.1335 -2.08
+  210.1595 C11H20N3O+ 2 210.1601 -2.63
+  235.1549 C12H19N4O+ 2 235.1553 -1.82
+  252.1814 C12H22N5O+ 2 252.1819 -1.93
+  253.1657 C12H21N4O2+ 2 253.1659 -0.91
+  314.1385 C18H20NO4+ 3 314.1387 -0.51
+  342.1335 C19H20NO5+ 3 342.1336 -0.17
+  593.3077 C31H41N6O6+ 1 593.3082 -0.81
+PK$NUM_PEAK: 15
+PK$PEAK: m/z int. rel.int.
+  84.0808 2781703.5 999
+  99.0917 117904.2 42
+  124.087 29641.7 10
+  136.0756 787941.7 282
+  141.1133 64508.7 23
+  142.0972 67429.6 24
+  165.1384 976142.3 350
+  193.1331 176729.6 63
+  210.1595 995667.4 357
+  235.1549 191149.3 68
+  252.1814 95846 34
+  253.1657 87782.6 31
+  314.1385 643683.1 231
+  342.1335 89025.2 31
+  593.3077 304514.8 109
+//
diff --git a/Eawag/MSBNK-EAWAG-ED123006.txt b/Eawag/MSBNK-EAWAG-ED123006.txt
new file mode 100644
index 0000000000..ca9e4eb31e
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED123006.txt
@@ -0,0 +1,78 @@
+ACCESSION: MSBNK-EAWAG-ED123006
+RECORD_TITLE: Spumigin L (and isomers); LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], F. Rios Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.7b00370
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 1230
+CH$NAME: Spumigin L (and isomers)
+CH$NAME: (2S)-N-[(3S)-1-carbamimidoyl-2-hydroxypiperidin-3-yl]-1-[(2R)-2-[[2-hydroxy-4-(4-hydroxyphenyl)butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H42N6O7
+CH$EXACT_MASS: 610.3114977
+CH$SMILES: OC1=CC=C(CCC(O)C(N[C@H](CC2=CC=C(O)C=C2)C(N3[C@H](C(N[C@@H](CCCN4C(N)=N)C4O)=O)CC(C)C3)=O)=O)C=C1
+CH$IUPAC: InChI=1S/C31H42N6O7/c1-18-15-25(27(41)34-23-3-2-14-36(29(23)43)31(32)33)37(17-18)30(44)24(16-20-6-11-22(39)12-7-20)35-28(42)26(40)13-8-19-4-9-21(38)10-5-19/h4-7,9-12,18,23-26,29,38-40,43H,2-3,8,13-17H2,1H3,(H3,32,33)(H,34,41)(H,35,42)/t18?,23-,24+,25-,26?,29?/m0/s1
+CH$LINK: PUBCHEM CID:146684840
+CH$LINK: INCHIKEY CUYCVKFWPTWZJN-HPGRWYDASA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 64-645
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.080 min
+MS$FOCUSED_ION: BASE_PEAK 132.9582
+MS$FOCUSED_ION: PRECURSOR_M/Z 611.3188
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-001r-8900000000-c81e91a6230ac72bf09d
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  82.0653 C5H8N+ 1 82.0651 2.52
+  84.0808 C5H10N+ 1 84.0808 0.4
+  91.0544 C7H7+ 1 91.0542 1.98
+  99.0917 C5H11N2+ 1 99.0917 0.15
+  100.0757 C5H10NO+ 1 100.0757 0.45
+  107.0492 C7H7O+ 1 107.0491 0.42
+  119.0492 C8H7O+ 1 119.0491 0.24
+  124.087 C6H10N3+ 1 124.0869 0.7
+  127.0866 C6H11N2O+ 1 127.0866 0.25
+  136.0756 C8H10NO+ 1 136.0757 -0.69
+  141.1134 C6H13N4+ 1 141.1135 -0.3
+  142.0976 C6H12N3O+ 1 142.0975 0.95
+  154.0973 C7H12N3O+ 1 154.0975 -1.23
+  165.1383 C10H17N2+ 1 165.1386 -2.07
+  193.133 C11H17N2O+ 2 193.1335 -2.95
+  210.1596 C11H20N3O+ 2 210.1601 -2.55
+  235.1551 C12H19N4O+ 2 235.1553 -1.04
+  314.1386 C18H20NO4+ 3 314.1387 -0.12
+PK$NUM_PEAK: 18
+PK$PEAK: m/z int. rel.int.
+  82.0653 54574 18
+  84.0808 2897526.8 999
+  91.0544 36734.4 12
+  99.0917 194297.2 66
+  100.0757 143026.8 49
+  107.0492 80443.3 27
+  119.0492 49762.6 17
+  124.087 44659 15
+  127.0866 76011.8 26
+  136.0756 1908331.6 657
+  141.1134 39869 13
+  142.0976 59866.9 20
+  154.0973 37394.3 12
+  165.1383 798781.3 275
+  193.133 176177.5 60
+  210.1596 225996.2 77
+  235.1551 51704 17
+  314.1386 213970 73
+//
diff --git a/Eawag/MSBNK-EAWAG-ED123007.txt b/Eawag/MSBNK-EAWAG-ED123007.txt
new file mode 100644
index 0000000000..0a19335e22
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED123007.txt
@@ -0,0 +1,70 @@
+ACCESSION: MSBNK-EAWAG-ED123007
+RECORD_TITLE: Spumigin L (and isomers); LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], F. Rios Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.7b00370
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 1230
+CH$NAME: Spumigin L (and isomers)
+CH$NAME: (2S)-N-[(3S)-1-carbamimidoyl-2-hydroxypiperidin-3-yl]-1-[(2R)-2-[[2-hydroxy-4-(4-hydroxyphenyl)butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H42N6O7
+CH$EXACT_MASS: 610.3114977
+CH$SMILES: OC1=CC=C(CCC(O)C(N[C@H](CC2=CC=C(O)C=C2)C(N3[C@H](C(N[C@@H](CCCN4C(N)=N)C4O)=O)CC(C)C3)=O)=O)C=C1
+CH$IUPAC: InChI=1S/C31H42N6O7/c1-18-15-25(27(41)34-23-3-2-14-36(29(23)43)31(32)33)37(17-18)30(44)24(16-20-6-11-22(39)12-7-20)35-28(42)26(40)13-8-19-4-9-21(38)10-5-19/h4-7,9-12,18,23-26,29,38-40,43H,2-3,8,13-17H2,1H3,(H3,32,33)(H,34,41)(H,35,42)/t18?,23-,24+,25-,26?,29?/m0/s1
+CH$LINK: PUBCHEM CID:146684840
+CH$LINK: INCHIKEY CUYCVKFWPTWZJN-HPGRWYDASA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 64-645
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.080 min
+MS$FOCUSED_ION: BASE_PEAK 132.9582
+MS$FOCUSED_ION: PRECURSOR_M/Z 611.3188
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-001r-8900000000-575ccf6f64565fab4807
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  67.0541 C5H7+ 1 67.0542 -1.84
+  82.0651 C5H8N+ 1 82.0651 0.1
+  84.0808 C5H10N+ 1 84.0808 0.58
+  91.0543 C7H7+ 1 91.0542 0.89
+  99.0917 C5H11N2+ 1 99.0917 0.08
+  100.0758 C5H10NO+ 1 100.0757 0.75
+  107.0492 C7H7O+ 1 107.0491 0.27
+  119.0491 C8H7O+ 1 119.0491 -0.4
+  127.0863 C6H11N2O+ 1 127.0866 -1.97
+  136.0756 C8H10NO+ 1 136.0757 -0.69
+  141.1137 C6H13N4+ 1 141.1135 1.64
+  165.1383 C10H17N2+ 1 165.1386 -1.79
+  193.133 C11H17N2O+ 2 193.1335 -2.71
+  210.1597 C11H20N3O+ 2 210.1601 -1.76
+PK$NUM_PEAK: 14
+PK$PEAK: m/z int. rel.int.
+  67.0541 40604.1 13
+  82.0651 98792 33
+  84.0808 2911888 999
+  91.0543 172905.9 59
+  99.0917 223312.5 76
+  100.0758 153376.5 52
+  107.0492 174463.6 59
+  119.0491 223852 76
+  127.0863 49513.3 16
+  136.0756 2324430 797
+  141.1137 31172 10
+  165.1383 577061.1 197
+  193.133 111699.8 38
+  210.1597 44241.4 15
+//
diff --git a/Eawag/MSBNK-EAWAG-ED123008.txt b/Eawag/MSBNK-EAWAG-ED123008.txt
new file mode 100644
index 0000000000..c90da80282
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED123008.txt
@@ -0,0 +1,62 @@
+ACCESSION: MSBNK-EAWAG-ED123008
+RECORD_TITLE: Spumigin L (and isomers); LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], F. Rios Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.7b00370
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 1230
+CH$NAME: Spumigin L (and isomers)
+CH$NAME: (2S)-N-[(3S)-1-carbamimidoyl-2-hydroxypiperidin-3-yl]-1-[(2R)-2-[[2-hydroxy-4-(4-hydroxyphenyl)butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H42N6O7
+CH$EXACT_MASS: 610.3114977
+CH$SMILES: OC1=CC=C(CCC(O)C(N[C@H](CC2=CC=C(O)C=C2)C(N3[C@H](C(N[C@@H](CCCN4C(N)=N)C4O)=O)CC(C)C3)=O)=O)C=C1
+CH$IUPAC: InChI=1S/C31H42N6O7/c1-18-15-25(27(41)34-23-3-2-14-36(29(23)43)31(32)33)37(17-18)30(44)24(16-20-6-11-22(39)12-7-20)35-28(42)26(40)13-8-19-4-9-21(38)10-5-19/h4-7,9-12,18,23-26,29,38-40,43H,2-3,8,13-17H2,1H3,(H3,32,33)(H,34,41)(H,35,42)/t18?,23-,24+,25-,26?,29?/m0/s1
+CH$LINK: PUBCHEM CID:146684840
+CH$LINK: INCHIKEY CUYCVKFWPTWZJN-HPGRWYDASA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 64-645
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.080 min
+MS$FOCUSED_ION: BASE_PEAK 132.9582
+MS$FOCUSED_ION: PRECURSOR_M/Z 611.3188
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-001r-9700000000-1b1b0e1d6064d1d12fd6
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  67.0543 C5H7+ 1 67.0542 0.54
+  82.0652 C5H8N+ 1 82.0651 1.03
+  84.0809 C5H10N+ 1 84.0808 0.94
+  91.0543 C7H7+ 1 91.0542 1.14
+  99.0917 C5H11N2+ 1 99.0917 0.54
+  100.0758 C5H10NO+ 1 100.0757 1.36
+  107.0492 C7H7O+ 1 107.0491 0.84
+  119.0492 C8H7O+ 1 119.0491 0.24
+  136.0756 C8H10NO+ 1 136.0757 -0.36
+  165.1384 C10H17N2+ 1 165.1386 -1.61
+PK$NUM_PEAK: 10
+PK$PEAK: m/z int. rel.int.
+  67.0543 50275.3 18
+  82.0652 172282.1 62
+  84.0809 2743668.5 999
+  91.0543 520331.4 189
+  99.0917 178447.9 64
+  100.0758 138931.3 50
+  107.0492 253961.5 92
+  119.0492 453500.2 165
+  136.0756 2037209.5 741
+  165.1384 314147 114
+//
diff --git a/Eawag/MSBNK-EAWAG-ED123009.txt b/Eawag/MSBNK-EAWAG-ED123009.txt
new file mode 100644
index 0000000000..75424d50b6
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED123009.txt
@@ -0,0 +1,64 @@
+ACCESSION: MSBNK-EAWAG-ED123009
+RECORD_TITLE: Spumigin L (and isomers); LC-ESI-QFT; MS2; CE: 80%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], F. Rios Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.7b00370
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 1230
+CH$NAME: Spumigin L (and isomers)
+CH$NAME: (2S)-N-[(3S)-1-carbamimidoyl-2-hydroxypiperidin-3-yl]-1-[(2R)-2-[[2-hydroxy-4-(4-hydroxyphenyl)butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H42N6O7
+CH$EXACT_MASS: 610.3114977
+CH$SMILES: OC1=CC=C(CCC(O)C(N[C@H](CC2=CC=C(O)C=C2)C(N3[C@H](C(N[C@@H](CCCN4C(N)=N)C4O)=O)CC(C)C3)=O)=O)C=C1
+CH$IUPAC: InChI=1S/C31H42N6O7/c1-18-15-25(27(41)34-23-3-2-14-36(29(23)43)31(32)33)37(17-18)30(44)24(16-20-6-11-22(39)12-7-20)35-28(42)26(40)13-8-19-4-9-21(38)10-5-19/h4-7,9-12,18,23-26,29,38-40,43H,2-3,8,13-17H2,1H3,(H3,32,33)(H,34,41)(H,35,42)/t18?,23-,24+,25-,26?,29?/m0/s1
+CH$LINK: PUBCHEM CID:146684840
+CH$LINK: INCHIKEY CUYCVKFWPTWZJN-HPGRWYDASA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 64-645
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.080 min
+MS$FOCUSED_ION: BASE_PEAK 132.9582
+MS$FOCUSED_ION: PRECURSOR_M/Z 611.3188
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-001r-9600000000-0592419a856eea6b6b6d
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  67.0542 C5H7+ 1 67.0542 0.09
+  82.0652 C5H8N+ 1 82.0651 0.85
+  84.0808 C5H10N+ 1 84.0808 0.67
+  91.0543 C7H7+ 1 91.0542 0.89
+  99.0917 C5H11N2+ 1 99.0917 0.61
+  100.0757 C5H10NO+ 1 100.0757 -0.01
+  107.0492 C7H7O+ 1 107.0491 0.56
+  119.0491 C8H7O+ 1 119.0491 -0.33
+  124.0869 C6H10N3+ 1 124.0869 -0.16
+  136.0756 C8H10NO+ 1 136.0757 -0.58
+  165.1382 C10H17N2+ 1 165.1386 -2.53
+PK$NUM_PEAK: 11
+PK$PEAK: m/z int. rel.int.
+  67.0542 71061.4 29
+  82.0652 187537.3 77
+  84.0808 2424348 999
+  91.0543 963125.4 396
+  99.0917 128100.6 52
+  100.0757 122479 50
+  107.0492 346650.2 142
+  119.0491 566102.9 233
+  124.0869 26890.8 11
+  136.0756 1313436.9 541
+  165.1382 152135.9 62
+//
diff --git a/Eawag/MSBNK-EAWAG-ED123051.txt b/Eawag/MSBNK-EAWAG-ED123051.txt
new file mode 100644
index 0000000000..dc0e5a05b1
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED123051.txt
@@ -0,0 +1,48 @@
+ACCESSION: MSBNK-EAWAG-ED123051
+RECORD_TITLE: Spumigin L (and isomers); LC-ESI-QFT; MS2; CE: 15%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], F. Rios Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.7b00370
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 1230
+CH$NAME: Spumigin L (and isomers)
+CH$NAME: (2S)-N-[(3S)-1-carbamimidoyl-2-hydroxypiperidin-3-yl]-1-[(2R)-2-[[2-hydroxy-4-(4-hydroxyphenyl)butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H42N6O7
+CH$EXACT_MASS: 610.3114977
+CH$SMILES: OC1=CC=C(CCC(O)C(N[C@H](CC2=CC=C(O)C=C2)C(N3[C@H](C(N[C@@H](CCCN4C(N)=N)C4O)=O)CC(C)C3)=O)=O)C=C1
+CH$IUPAC: InChI=1S/C31H42N6O7/c1-18-15-25(27(41)34-23-3-2-14-36(29(23)43)31(32)33)37(17-18)30(44)24(16-20-6-11-22(39)12-7-20)35-28(42)26(40)13-8-19-4-9-21(38)10-5-19/h4-7,9-12,18,23-26,29,38-40,43H,2-3,8,13-17H2,1H3,(H3,32,33)(H,34,41)(H,35,42)/t18?,23-,24+,25-,26?,29?/m0/s1
+CH$LINK: PUBCHEM CID:146684840
+CH$LINK: INCHIKEY CUYCVKFWPTWZJN-HPGRWYDASA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 64-643
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.711 min
+MS$FOCUSED_ION: BASE_PEAK 146.9383
+MS$FOCUSED_ION: PRECURSOR_M/Z 609.3042
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0a4i-0000009000-a5a81983d42f26567ff9
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  340.1192 C19H18NO5- 3 340.119 0.34
+  503.2628 C24H35N6O6- 2 503.2624 0.8
+  609.3048 C31H41N6O7- 1 609.3042 1.02
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  340.1192 32569.7 13
+  503.2628 50460.2 20
+  609.3048 2464574.8 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED123052.txt b/Eawag/MSBNK-EAWAG-ED123052.txt
new file mode 100644
index 0000000000..140132e2db
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED123052.txt
@@ -0,0 +1,48 @@
+ACCESSION: MSBNK-EAWAG-ED123052
+RECORD_TITLE: Spumigin L (and isomers); LC-ESI-QFT; MS2; CE: 20%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], F. Rios Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.7b00370
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 1230
+CH$NAME: Spumigin L (and isomers)
+CH$NAME: (2S)-N-[(3S)-1-carbamimidoyl-2-hydroxypiperidin-3-yl]-1-[(2R)-2-[[2-hydroxy-4-(4-hydroxyphenyl)butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H42N6O7
+CH$EXACT_MASS: 610.3114977
+CH$SMILES: OC1=CC=C(CCC(O)C(N[C@H](CC2=CC=C(O)C=C2)C(N3[C@H](C(N[C@@H](CCCN4C(N)=N)C4O)=O)CC(C)C3)=O)=O)C=C1
+CH$IUPAC: InChI=1S/C31H42N6O7/c1-18-15-25(27(41)34-23-3-2-14-36(29(23)43)31(32)33)37(17-18)30(44)24(16-20-6-11-22(39)12-7-20)35-28(42)26(40)13-8-19-4-9-21(38)10-5-19/h4-7,9-12,18,23-26,29,38-40,43H,2-3,8,13-17H2,1H3,(H3,32,33)(H,34,41)(H,35,42)/t18?,23-,24+,25-,26?,29?/m0/s1
+CH$LINK: PUBCHEM CID:146684840
+CH$LINK: INCHIKEY CUYCVKFWPTWZJN-HPGRWYDASA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 64-643
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.711 min
+MS$FOCUSED_ION: BASE_PEAK 146.9383
+MS$FOCUSED_ION: PRECURSOR_M/Z 609.3042
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0a4i-0000019000-1d723408d2422ee14e49
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  234.0765 C10H10N4O3- 2 234.0758 2.63
+  503.2628 C24H35N6O6- 2 503.2624 0.8
+  609.3045 C31H41N6O7- 1 609.3042 0.42
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  234.0765 65959.7 44
+  503.2628 281740.7 190
+  609.3045 1477514.2 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED123053.txt b/Eawag/MSBNK-EAWAG-ED123053.txt
new file mode 100644
index 0000000000..977523ea00
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED123053.txt
@@ -0,0 +1,52 @@
+ACCESSION: MSBNK-EAWAG-ED123053
+RECORD_TITLE: Spumigin L (and isomers); LC-ESI-QFT; MS2; CE: 25%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], F. Rios Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.7b00370
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 1230
+CH$NAME: Spumigin L (and isomers)
+CH$NAME: (2S)-N-[(3S)-1-carbamimidoyl-2-hydroxypiperidin-3-yl]-1-[(2R)-2-[[2-hydroxy-4-(4-hydroxyphenyl)butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H42N6O7
+CH$EXACT_MASS: 610.3114977
+CH$SMILES: OC1=CC=C(CCC(O)C(N[C@H](CC2=CC=C(O)C=C2)C(N3[C@H](C(N[C@@H](CCCN4C(N)=N)C4O)=O)CC(C)C3)=O)=O)C=C1
+CH$IUPAC: InChI=1S/C31H42N6O7/c1-18-15-25(27(41)34-23-3-2-14-36(29(23)43)31(32)33)37(17-18)30(44)24(16-20-6-11-22(39)12-7-20)35-28(42)26(40)13-8-19-4-9-21(38)10-5-19/h4-7,9-12,18,23-26,29,38-40,43H,2-3,8,13-17H2,1H3,(H3,32,33)(H,34,41)(H,35,42)/t18?,23-,24+,25-,26?,29?/m0/s1
+CH$LINK: PUBCHEM CID:146684840
+CH$LINK: INCHIKEY CUYCVKFWPTWZJN-HPGRWYDASA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 64-643
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.711 min
+MS$FOCUSED_ION: BASE_PEAK 146.9383
+MS$FOCUSED_ION: PRECURSOR_M/Z 609.3042
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0pb9-0061079000-f5f07549eeb9df0a869d
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  234.0764 C10H10N4O3- 2 234.0758 2.37
+  268.177 C12H22N5O2- 2 268.1779 -3.26
+  340.1185 C19H18NO5- 2 340.119 -1.55
+  503.2621 C24H35N6O6- 2 503.2624 -0.54
+  609.3044 C31H41N6O7- 1 609.3042 0.22
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  234.0764 209757.1 382
+  268.177 204054.4 371
+  340.1185 115468.3 210
+  503.2621 467308.3 851
+  609.3044 548183.4 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED123054.txt b/Eawag/MSBNK-EAWAG-ED123054.txt
new file mode 100644
index 0000000000..f7a157520b
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED123054.txt
@@ -0,0 +1,50 @@
+ACCESSION: MSBNK-EAWAG-ED123054
+RECORD_TITLE: Spumigin L (and isomers); LC-ESI-QFT; MS2; CE: 30%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], F. Rios Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.7b00370
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 1230
+CH$NAME: Spumigin L (and isomers)
+CH$NAME: (2S)-N-[(3S)-1-carbamimidoyl-2-hydroxypiperidin-3-yl]-1-[(2R)-2-[[2-hydroxy-4-(4-hydroxyphenyl)butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H42N6O7
+CH$EXACT_MASS: 610.3114977
+CH$SMILES: OC1=CC=C(CCC(O)C(N[C@H](CC2=CC=C(O)C=C2)C(N3[C@H](C(N[C@@H](CCCN4C(N)=N)C4O)=O)CC(C)C3)=O)=O)C=C1
+CH$IUPAC: InChI=1S/C31H42N6O7/c1-18-15-25(27(41)34-23-3-2-14-36(29(23)43)31(32)33)37(17-18)30(44)24(16-20-6-11-22(39)12-7-20)35-28(42)26(40)13-8-19-4-9-21(38)10-5-19/h4-7,9-12,18,23-26,29,38-40,43H,2-3,8,13-17H2,1H3,(H3,32,33)(H,34,41)(H,35,42)/t18?,23-,24+,25-,26?,29?/m0/s1
+CH$LINK: PUBCHEM CID:146684840
+CH$LINK: INCHIKEY CUYCVKFWPTWZJN-HPGRWYDASA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 64-643
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.711 min
+MS$FOCUSED_ION: BASE_PEAK 146.9383
+MS$FOCUSED_ION: PRECURSOR_M/Z 609.3042
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0fsi-0090041000-f29a6ea119fe6b84bfac
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  234.0765 C10H10N4O3- 2 234.0758 2.77
+  268.1771 C12H22N5O2- 2 268.1779 -2.8
+  503.2624 C24H35N6O6- 2 503.2624 0.01
+  609.3056 C31H41N6O7- 1 609.3042 2.32
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  234.0765 333184.1 999
+  268.1771 290394.6 870
+  503.2624 304404.8 912
+  609.3056 102612.3 307
+//
diff --git a/Eawag/MSBNK-EAWAG-ED123101.txt b/Eawag/MSBNK-EAWAG-ED123101.txt
new file mode 100644
index 0000000000..7091f6eaa2
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED123101.txt
@@ -0,0 +1,47 @@
+ACCESSION: MSBNK-EAWAG-ED123101
+RECORD_TITLE: Spumigin G; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1111/j.1365-2958.2009.06816.x
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1231
+CH$NAME: Spumigin G
+CH$NAME: (2S,4S)-N-(5-guanidino-1-oxopentan-2-yl)-1-((R)-2-((R)-2-hydroxy-3-(4-hydroxyphenyl)propanamido)-4-phenylbutanoyl)-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H42N6O6
+CH$EXACT_MASS: 594.3165831
+CH$SMILES: C[C@H]1C[C@H](N(C1)C(=O)[C@@H](CCC2=CC=CC=C2)NC(=O)[C@@H](CC3=CC=C(C=C3)O)O)C(=O)NC(CCCN=C(N)N)C=O
+CH$IUPAC: InChI=1S/C31H42N6O6/c1-20-16-26(28(41)35-23(19-38)8-5-15-34-31(32)33)37(18-20)30(43)25(14-11-21-6-3-2-4-7-21)36-29(42)27(40)17-22-9-12-24(39)13-10-22/h2-4,6-7,9-10,12-13,19-20,23,25-27,39-40H,5,8,11,14-18H2,1H3,(H,35,41)(H,36,42)(H4,32,33,34)/t20-,23?,25+,26-,27+/m0/s1
+CH$LINK: PUBCHEM CID:139588808
+CH$LINK: INCHIKEY YGAGCUYKOBGAQX-SYCDWYGJSA-N
+CH$LINK: CHEMSPIDER 78442853
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 62-628
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.218 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 595.3239
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-004i-0000090000-aede52c9319c5227a19e
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  535.2912 C30H39N4O5+ 1 535.2915 -0.63
+  577.3131 C31H41N6O5+ 1 577.3133 -0.26
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  535.2912 78797.4 100
+  577.3131 784611 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED123102.txt b/Eawag/MSBNK-EAWAG-ED123102.txt
new file mode 100644
index 0000000000..611e1136b4
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED123102.txt
@@ -0,0 +1,47 @@
+ACCESSION: MSBNK-EAWAG-ED123102
+RECORD_TITLE: Spumigin G; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1111/j.1365-2958.2009.06816.x
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1231
+CH$NAME: Spumigin G
+CH$NAME: (2S,4S)-N-(5-guanidino-1-oxopentan-2-yl)-1-((R)-2-((R)-2-hydroxy-3-(4-hydroxyphenyl)propanamido)-4-phenylbutanoyl)-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H42N6O6
+CH$EXACT_MASS: 594.3165831
+CH$SMILES: C[C@H]1C[C@H](N(C1)C(=O)[C@@H](CCC2=CC=CC=C2)NC(=O)[C@@H](CC3=CC=C(C=C3)O)O)C(=O)NC(CCCN=C(N)N)C=O
+CH$IUPAC: InChI=1S/C31H42N6O6/c1-20-16-26(28(41)35-23(19-38)8-5-15-34-31(32)33)37(18-20)30(43)25(14-11-21-6-3-2-4-7-21)36-29(42)27(40)17-22-9-12-24(39)13-10-22/h2-4,6-7,9-10,12-13,19-20,23,25-27,39-40H,5,8,11,14-18H2,1H3,(H,35,41)(H,36,42)(H4,32,33,34)/t20-,23?,25+,26-,27+/m0/s1
+CH$LINK: PUBCHEM CID:139588808
+CH$LINK: INCHIKEY YGAGCUYKOBGAQX-SYCDWYGJSA-N
+CH$LINK: CHEMSPIDER 78442853
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 62-628
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.218 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 595.3239
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-004i-0000090000-2e2e426582e24ad62fa4
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  535.2925 C30H39N4O5+ 1 535.2915 1.87
+  577.313 C31H41N6O5+ 1 577.3133 -0.58
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  535.2925 138089.9 153
+  577.313 895959.9 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED123103.txt b/Eawag/MSBNK-EAWAG-ED123103.txt
new file mode 100644
index 0000000000..ddc3327ef2
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED123103.txt
@@ -0,0 +1,47 @@
+ACCESSION: MSBNK-EAWAG-ED123103
+RECORD_TITLE: Spumigin G; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1111/j.1365-2958.2009.06816.x
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1231
+CH$NAME: Spumigin G
+CH$NAME: (2S,4S)-N-(5-guanidino-1-oxopentan-2-yl)-1-((R)-2-((R)-2-hydroxy-3-(4-hydroxyphenyl)propanamido)-4-phenylbutanoyl)-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H42N6O6
+CH$EXACT_MASS: 594.3165831
+CH$SMILES: C[C@H]1C[C@H](N(C1)C(=O)[C@@H](CCC2=CC=CC=C2)NC(=O)[C@@H](CC3=CC=C(C=C3)O)O)C(=O)NC(CCCN=C(N)N)C=O
+CH$IUPAC: InChI=1S/C31H42N6O6/c1-20-16-26(28(41)35-23(19-38)8-5-15-34-31(32)33)37(18-20)30(43)25(14-11-21-6-3-2-4-7-21)36-29(42)27(40)17-22-9-12-24(39)13-10-22/h2-4,6-7,9-10,12-13,19-20,23,25-27,39-40H,5,8,11,14-18H2,1H3,(H,35,41)(H,36,42)(H4,32,33,34)/t20-,23?,25+,26-,27+/m0/s1
+CH$LINK: PUBCHEM CID:139588808
+CH$LINK: INCHIKEY YGAGCUYKOBGAQX-SYCDWYGJSA-N
+CH$LINK: CHEMSPIDER 78442853
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 62-628
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.218 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 595.3239
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-004i-0000090000-ac250de043aa68275237
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  535.2916 C30H39N4O5+ 1 535.2915 0.16
+  577.3133 C31H41N6O5+ 1 577.3133 -0.05
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  535.2916 191789.3 212
+  577.3133 900940.6 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED123104.txt b/Eawag/MSBNK-EAWAG-ED123104.txt
new file mode 100644
index 0000000000..61a3cc87f5
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED123104.txt
@@ -0,0 +1,49 @@
+ACCESSION: MSBNK-EAWAG-ED123104
+RECORD_TITLE: Spumigin G; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1111/j.1365-2958.2009.06816.x
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1231
+CH$NAME: Spumigin G
+CH$NAME: (2S,4S)-N-(5-guanidino-1-oxopentan-2-yl)-1-((R)-2-((R)-2-hydroxy-3-(4-hydroxyphenyl)propanamido)-4-phenylbutanoyl)-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H42N6O6
+CH$EXACT_MASS: 594.3165831
+CH$SMILES: C[C@H]1C[C@H](N(C1)C(=O)[C@@H](CCC2=CC=CC=C2)NC(=O)[C@@H](CC3=CC=C(C=C3)O)O)C(=O)NC(CCCN=C(N)N)C=O
+CH$IUPAC: InChI=1S/C31H42N6O6/c1-20-16-26(28(41)35-23(19-38)8-5-15-34-31(32)33)37(18-20)30(43)25(14-11-21-6-3-2-4-7-21)36-29(42)27(40)17-22-9-12-24(39)13-10-22/h2-4,6-7,9-10,12-13,19-20,23,25-27,39-40H,5,8,11,14-18H2,1H3,(H,35,41)(H,36,42)(H4,32,33,34)/t20-,23?,25+,26-,27+/m0/s1
+CH$LINK: PUBCHEM CID:139588808
+CH$LINK: INCHIKEY YGAGCUYKOBGAQX-SYCDWYGJSA-N
+CH$LINK: CHEMSPIDER 78442853
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 62-628
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.218 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 595.3239
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-004i-0020090000-9f3912246dd67f3eff0e
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  210.1602 C11H20N3O+ 1 210.1601 0.52
+  535.2923 C30H39N4O5+ 1 535.2915 1.42
+  577.3133 C31H41N6O5+ 1 577.3133 0.05
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  210.1602 229509 358
+  535.2923 157091.3 245
+  577.3133 639040.8 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED123105.txt b/Eawag/MSBNK-EAWAG-ED123105.txt
new file mode 100644
index 0000000000..e21eae3ca0
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED123105.txt
@@ -0,0 +1,53 @@
+ACCESSION: MSBNK-EAWAG-ED123105
+RECORD_TITLE: Spumigin G; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1111/j.1365-2958.2009.06816.x
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1231
+CH$NAME: Spumigin G
+CH$NAME: (2S,4S)-N-(5-guanidino-1-oxopentan-2-yl)-1-((R)-2-((R)-2-hydroxy-3-(4-hydroxyphenyl)propanamido)-4-phenylbutanoyl)-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H42N6O6
+CH$EXACT_MASS: 594.3165831
+CH$SMILES: C[C@H]1C[C@H](N(C1)C(=O)[C@@H](CCC2=CC=CC=C2)NC(=O)[C@@H](CC3=CC=C(C=C3)O)O)C(=O)NC(CCCN=C(N)N)C=O
+CH$IUPAC: InChI=1S/C31H42N6O6/c1-20-16-26(28(41)35-23(19-38)8-5-15-34-31(32)33)37(18-20)30(43)25(14-11-21-6-3-2-4-7-21)36-29(42)27(40)17-22-9-12-24(39)13-10-22/h2-4,6-7,9-10,12-13,19-20,23,25-27,39-40H,5,8,11,14-18H2,1H3,(H,35,41)(H,36,42)(H4,32,33,34)/t20-,23?,25+,26-,27+/m0/s1
+CH$LINK: PUBCHEM CID:139588808
+CH$LINK: INCHIKEY YGAGCUYKOBGAQX-SYCDWYGJSA-N
+CH$LINK: CHEMSPIDER 78442853
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 62-628
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.218 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 595.3239
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-001i-9650000000-3a08fa5b51018d63166d
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  84.0808 C5H10N+ 1 84.0808 0.03
+  165.1385 C10H17N2+ 1 165.1386 -0.55
+  182.0811 C9H12NO3+ 1 182.0812 -0.57
+  210.16 C11H20N3O+ 1 210.1601 -0.28
+  298.1431 C18H20NO3+ 2 298.1438 -2.37
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  84.0808 449282.3 999
+  165.1385 224762 499
+  182.0811 109733.9 243
+  210.16 207822.4 462
+  298.1431 48399.8 107
+//
diff --git a/Eawag/MSBNK-EAWAG-ED123106.txt b/Eawag/MSBNK-EAWAG-ED123106.txt
new file mode 100644
index 0000000000..f6d8c47ebe
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED123106.txt
@@ -0,0 +1,59 @@
+ACCESSION: MSBNK-EAWAG-ED123106
+RECORD_TITLE: Spumigin G; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1111/j.1365-2958.2009.06816.x
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1231
+CH$NAME: Spumigin G
+CH$NAME: (2S,4S)-N-(5-guanidino-1-oxopentan-2-yl)-1-((R)-2-((R)-2-hydroxy-3-(4-hydroxyphenyl)propanamido)-4-phenylbutanoyl)-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H42N6O6
+CH$EXACT_MASS: 594.3165831
+CH$SMILES: C[C@H]1C[C@H](N(C1)C(=O)[C@@H](CCC2=CC=CC=C2)NC(=O)[C@@H](CC3=CC=C(C=C3)O)O)C(=O)NC(CCCN=C(N)N)C=O
+CH$IUPAC: InChI=1S/C31H42N6O6/c1-20-16-26(28(41)35-23(19-38)8-5-15-34-31(32)33)37(18-20)30(43)25(14-11-21-6-3-2-4-7-21)36-29(42)27(40)17-22-9-12-24(39)13-10-22/h2-4,6-7,9-10,12-13,19-20,23,25-27,39-40H,5,8,11,14-18H2,1H3,(H,35,41)(H,36,42)(H4,32,33,34)/t20-,23?,25+,26-,27+/m0/s1
+CH$LINK: PUBCHEM CID:139588808
+CH$LINK: INCHIKEY YGAGCUYKOBGAQX-SYCDWYGJSA-N
+CH$LINK: CHEMSPIDER 78442853
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 62-628
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.218 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 595.3239
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-001i-9800000000-b063c0299128801437ba
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  84.0808 C5H10N+ 1 84.0808 -0.24
+  99.0918 C5H11N2+ 1 99.0917 1.37
+  117.0698 C9H9+ 1 117.0699 -0.98
+  134.0963 C9H12N+ 1 134.0964 -0.65
+  164.0708 C9H10NO2+ 1 164.0706 1.27
+  165.1385 C10H17N2+ 1 165.1386 -0.55
+  182.0809 C9H12NO3+ 1 182.0812 -1.49
+  210.1597 C11H20N3O+ 2 210.1601 -1.88
+PK$NUM_PEAK: 8
+PK$PEAK: m/z int. rel.int.
+  84.0808 529887.2 999
+  99.0918 37565.2 70
+  117.0698 100674.5 189
+  134.0963 123585.5 232
+  164.0708 43265.2 81
+  165.1385 180388.8 340
+  182.0809 103134.7 194
+  210.1597 60070.4 113
+//
diff --git a/Eawag/MSBNK-EAWAG-ED123107.txt b/Eawag/MSBNK-EAWAG-ED123107.txt
new file mode 100644
index 0000000000..a56d0e3e67
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED123107.txt
@@ -0,0 +1,51 @@
+ACCESSION: MSBNK-EAWAG-ED123107
+RECORD_TITLE: Spumigin G; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1111/j.1365-2958.2009.06816.x
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1231
+CH$NAME: Spumigin G
+CH$NAME: (2S,4S)-N-(5-guanidino-1-oxopentan-2-yl)-1-((R)-2-((R)-2-hydroxy-3-(4-hydroxyphenyl)propanamido)-4-phenylbutanoyl)-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H42N6O6
+CH$EXACT_MASS: 594.3165831
+CH$SMILES: C[C@H]1C[C@H](N(C1)C(=O)[C@@H](CCC2=CC=CC=C2)NC(=O)[C@@H](CC3=CC=C(C=C3)O)O)C(=O)NC(CCCN=C(N)N)C=O
+CH$IUPAC: InChI=1S/C31H42N6O6/c1-20-16-26(28(41)35-23(19-38)8-5-15-34-31(32)33)37(18-20)30(43)25(14-11-21-6-3-2-4-7-21)36-29(42)27(40)17-22-9-12-24(39)13-10-22/h2-4,6-7,9-10,12-13,19-20,23,25-27,39-40H,5,8,11,14-18H2,1H3,(H,35,41)(H,36,42)(H4,32,33,34)/t20-,23?,25+,26-,27+/m0/s1
+CH$LINK: PUBCHEM CID:139588808
+CH$LINK: INCHIKEY YGAGCUYKOBGAQX-SYCDWYGJSA-N
+CH$LINK: CHEMSPIDER 78442853
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 62-628
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.218 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 595.3239
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-001i-9700000000-806fe2752962cf8b715f
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  84.0808 C5H10N+ 1 84.0808 0.21
+  117.0699 C9H9+ 1 117.0699 0.13
+  134.0963 C9H12N+ 1 134.0964 -1.21
+  165.1384 C10H17N2+ 1 165.1386 -1.47
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  84.0808 524090.3 999
+  117.0699 163208.1 311
+  134.0963 135862.8 258
+  165.1384 116760.4 222
+//
diff --git a/Eawag/MSBNK-EAWAG-ED123108.txt b/Eawag/MSBNK-EAWAG-ED123108.txt
new file mode 100644
index 0000000000..a71bf945a3
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED123108.txt
@@ -0,0 +1,53 @@
+ACCESSION: MSBNK-EAWAG-ED123108
+RECORD_TITLE: Spumigin G; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1111/j.1365-2958.2009.06816.x
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1231
+CH$NAME: Spumigin G
+CH$NAME: (2S,4S)-N-(5-guanidino-1-oxopentan-2-yl)-1-((R)-2-((R)-2-hydroxy-3-(4-hydroxyphenyl)propanamido)-4-phenylbutanoyl)-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H42N6O6
+CH$EXACT_MASS: 594.3165831
+CH$SMILES: C[C@H]1C[C@H](N(C1)C(=O)[C@@H](CCC2=CC=CC=C2)NC(=O)[C@@H](CC3=CC=C(C=C3)O)O)C(=O)NC(CCCN=C(N)N)C=O
+CH$IUPAC: InChI=1S/C31H42N6O6/c1-20-16-26(28(41)35-23(19-38)8-5-15-34-31(32)33)37(18-20)30(43)25(14-11-21-6-3-2-4-7-21)36-29(42)27(40)17-22-9-12-24(39)13-10-22/h2-4,6-7,9-10,12-13,19-20,23,25-27,39-40H,5,8,11,14-18H2,1H3,(H,35,41)(H,36,42)(H4,32,33,34)/t20-,23?,25+,26-,27+/m0/s1
+CH$LINK: PUBCHEM CID:139588808
+CH$LINK: INCHIKEY YGAGCUYKOBGAQX-SYCDWYGJSA-N
+CH$LINK: CHEMSPIDER 78442853
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 62-628
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.218 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 595.3239
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-001i-9300000000-4efafa4e0e233fc28d12
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  84.0807 C5H10N+ 1 84.0808 -0.42
+  91.0542 C7H7+ 1 91.0542 -0.51
+  99.0917 C5H11N2+ 1 99.0917 -0.17
+  117.0698 C9H9+ 1 117.0699 -0.65
+  134.0964 C9H12N+ 1 134.0964 0.15
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  84.0807 473260.2 999
+  91.0542 198017.8 417
+  99.0917 32411.2 68
+  117.0698 176801.8 373
+  134.0964 86688.6 182
+//
diff --git a/Eawag/MSBNK-EAWAG-ED123109.txt b/Eawag/MSBNK-EAWAG-ED123109.txt
new file mode 100644
index 0000000000..6af47248ce
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED123109.txt
@@ -0,0 +1,51 @@
+ACCESSION: MSBNK-EAWAG-ED123109
+RECORD_TITLE: Spumigin G; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1111/j.1365-2958.2009.06816.x
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1231
+CH$NAME: Spumigin G
+CH$NAME: (2S,4S)-N-(5-guanidino-1-oxopentan-2-yl)-1-((R)-2-((R)-2-hydroxy-3-(4-hydroxyphenyl)propanamido)-4-phenylbutanoyl)-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H42N6O6
+CH$EXACT_MASS: 594.3165831
+CH$SMILES: C[C@H]1C[C@H](N(C1)C(=O)[C@@H](CCC2=CC=CC=C2)NC(=O)[C@@H](CC3=CC=C(C=C3)O)O)C(=O)NC(CCCN=C(N)N)C=O
+CH$IUPAC: InChI=1S/C31H42N6O6/c1-20-16-26(28(41)35-23(19-38)8-5-15-34-31(32)33)37(18-20)30(43)25(14-11-21-6-3-2-4-7-21)36-29(42)27(40)17-22-9-12-24(39)13-10-22/h2-4,6-7,9-10,12-13,19-20,23,25-27,39-40H,5,8,11,14-18H2,1H3,(H,35,41)(H,36,42)(H4,32,33,34)/t20-,23?,25+,26-,27+/m0/s1
+CH$LINK: PUBCHEM CID:139588808
+CH$LINK: INCHIKEY YGAGCUYKOBGAQX-SYCDWYGJSA-N
+CH$LINK: CHEMSPIDER 78442853
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 62-628
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.218 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 595.3239
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-001l-9100000000-c3ea464b004d9d58a245
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  82.0651 C5H8N+ 1 82.0651 -0.84
+  84.0807 C5H10N+ 1 84.0808 -0.33
+  91.0542 C7H7+ 1 91.0542 -0.18
+  117.0698 C9H9+ 1 117.0699 -0.85
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  82.0651 35655.7 84
+  84.0807 419587.2 999
+  91.0542 331945.9 790
+  117.0698 146501.3 348
+//
diff --git a/Eawag/MSBNK-EAWAG-ED124001.txt b/Eawag/MSBNK-EAWAG-ED124001.txt
new file mode 100644
index 0000000000..6dd898b6ea
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED124001.txt
@@ -0,0 +1,44 @@
+ACCESSION: MSBNK-EAWAG-ED124001
+RECORD_TITLE: Aeruginosin NOL3; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1371/journal.pone.0073618
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1240
+CH$NAME: Aeruginosin NOL3
+CH$NAME: (2S,3aS,7aS)-N-(5-guanidino-1-hydroxypentan-2-yl)-1-((S)-2-hexanamido-3-(4-hydroxyphenyl)propanoyl)-6-hydroxyoctahydro-1H-indole-2-carboxamide                                                                                    (2S)-N-(1-carbamimidoyl-2-hydroxypiperidin-3-yl)-1-((2R)-2-(2-hydroxy-4-(4-hydroxyphenyl)butanamido)-3-(4-hydroxyphenyl)propanoyl)-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C30H48N6O6
+CH$EXACT_MASS: 588.3635333
+CH$SMILES: CCCCCC(N[C@H](C(N([C@H](C(NC(CO)CCCNC(N)=N)=O)C1)[C@@H]2[C@H]1CCC(O)C2)=O)CC3=CC=C(O)C=C3)=O
+CH$IUPAC: InChI=1S/C30H48N6O6/c1-2-3-4-7-27(40)35-24(15-19-8-11-22(38)12-9-19)29(42)36-25-17-23(39)13-10-20(25)16-26(36)28(41)34-21(18-37)6-5-14-33-30(31)32/h8-9,11-12,20-21,23-26,37-39H,2-7,10,13-18H2,1H3,(H,34,41)(H,35,40)(H4,31,32,33)/t20-,21?,23?,24-,25-,26-/m0/s1
+CH$LINK: PUBCHEM CID:146683747
+CH$LINK: INCHIKEY KVEGLZCDCVSBQX-ZHYXHTNASA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 62-622
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.625 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 589.3708
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-000i-0000090000-6896799d9deba40f20f0
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  589.37 C30H49N6O6+ 1 589.3708 -1.32
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  589.37 12626066 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED124002.txt b/Eawag/MSBNK-EAWAG-ED124002.txt
new file mode 100644
index 0000000000..93543bce48
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED124002.txt
@@ -0,0 +1,44 @@
+ACCESSION: MSBNK-EAWAG-ED124002
+RECORD_TITLE: Aeruginosin NOL3; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1371/journal.pone.0073618
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1240
+CH$NAME: Aeruginosin NOL3
+CH$NAME: (2S,3aS,7aS)-N-(5-guanidino-1-hydroxypentan-2-yl)-1-((S)-2-hexanamido-3-(4-hydroxyphenyl)propanoyl)-6-hydroxyoctahydro-1H-indole-2-carboxamide                                                                                    (2S)-N-(1-carbamimidoyl-2-hydroxypiperidin-3-yl)-1-((2R)-2-(2-hydroxy-4-(4-hydroxyphenyl)butanamido)-3-(4-hydroxyphenyl)propanoyl)-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C30H48N6O6
+CH$EXACT_MASS: 588.3635333
+CH$SMILES: CCCCCC(N[C@H](C(N([C@H](C(NC(CO)CCCNC(N)=N)=O)C1)[C@@H]2[C@H]1CCC(O)C2)=O)CC3=CC=C(O)C=C3)=O
+CH$IUPAC: InChI=1S/C30H48N6O6/c1-2-3-4-7-27(40)35-24(15-19-8-11-22(38)12-9-19)29(42)36-25-17-23(39)13-10-20(25)16-26(36)28(41)34-21(18-37)6-5-14-33-30(31)32/h8-9,11-12,20-21,23-26,37-39H,2-7,10,13-18H2,1H3,(H,34,41)(H,35,40)(H4,31,32,33)/t20-,21?,23?,24-,25-,26-/m0/s1
+CH$LINK: PUBCHEM CID:146683747
+CH$LINK: INCHIKEY KVEGLZCDCVSBQX-ZHYXHTNASA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 62-622
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.625 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 589.3708
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-000i-0000090000-5e9bf182c98079e471ec
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  589.3701 C30H49N6O6+ 1 589.3708 -1.22
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  589.3701 11662795 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED124003.txt b/Eawag/MSBNK-EAWAG-ED124003.txt
new file mode 100644
index 0000000000..da08f3db26
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED124003.txt
@@ -0,0 +1,48 @@
+ACCESSION: MSBNK-EAWAG-ED124003
+RECORD_TITLE: Aeruginosin NOL3; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1371/journal.pone.0073618
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1240
+CH$NAME: Aeruginosin NOL3
+CH$NAME: (2S,3aS,7aS)-N-(5-guanidino-1-hydroxypentan-2-yl)-1-((S)-2-hexanamido-3-(4-hydroxyphenyl)propanoyl)-6-hydroxyoctahydro-1H-indole-2-carboxamide                                                                                    (2S)-N-(1-carbamimidoyl-2-hydroxypiperidin-3-yl)-1-((2R)-2-(2-hydroxy-4-(4-hydroxyphenyl)butanamido)-3-(4-hydroxyphenyl)propanoyl)-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C30H48N6O6
+CH$EXACT_MASS: 588.3635333
+CH$SMILES: CCCCCC(N[C@H](C(N([C@H](C(NC(CO)CCCNC(N)=N)=O)C1)[C@@H]2[C@H]1CCC(O)C2)=O)CC3=CC=C(O)C=C3)=O
+CH$IUPAC: InChI=1S/C30H48N6O6/c1-2-3-4-7-27(40)35-24(15-19-8-11-22(38)12-9-19)29(42)36-25-17-23(39)13-10-20(25)16-26(36)28(41)34-21(18-37)6-5-14-33-30(31)32/h8-9,11-12,20-21,23-26,37-39H,2-7,10,13-18H2,1H3,(H,34,41)(H,35,40)(H4,31,32,33)/t20-,21?,23?,24-,25-,26-/m0/s1
+CH$LINK: PUBCHEM CID:146683747
+CH$LINK: INCHIKEY KVEGLZCDCVSBQX-ZHYXHTNASA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 62-622
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.625 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 589.3708
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-000i-0000090000-1b92a255da3e11efd79b
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  311.2076 C15H27N4O3+ 2 311.2078 -0.66
+  328.2344 C15H30N5O3+ 2 328.2343 0.39
+  589.3702 C30H49N6O6+ 1 589.3708 -1.11
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  311.2076 475732.5 42
+  328.2344 284000.2 25
+  589.3702 11122702 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED124004.txt b/Eawag/MSBNK-EAWAG-ED124004.txt
new file mode 100644
index 0000000000..de60b80dc2
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED124004.txt
@@ -0,0 +1,56 @@
+ACCESSION: MSBNK-EAWAG-ED124004
+RECORD_TITLE: Aeruginosin NOL3; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1371/journal.pone.0073618
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1240
+CH$NAME: Aeruginosin NOL3
+CH$NAME: (2S,3aS,7aS)-N-(5-guanidino-1-hydroxypentan-2-yl)-1-((S)-2-hexanamido-3-(4-hydroxyphenyl)propanoyl)-6-hydroxyoctahydro-1H-indole-2-carboxamide                                                                                    (2S)-N-(1-carbamimidoyl-2-hydroxypiperidin-3-yl)-1-((2R)-2-(2-hydroxy-4-(4-hydroxyphenyl)butanamido)-3-(4-hydroxyphenyl)propanoyl)-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C30H48N6O6
+CH$EXACT_MASS: 588.3635333
+CH$SMILES: CCCCCC(N[C@H](C(N([C@H](C(NC(CO)CCCNC(N)=N)=O)C1)[C@@H]2[C@H]1CCC(O)C2)=O)CC3=CC=C(O)C=C3)=O
+CH$IUPAC: InChI=1S/C30H48N6O6/c1-2-3-4-7-27(40)35-24(15-19-8-11-22(38)12-9-19)29(42)36-25-17-23(39)13-10-20(25)16-26(36)28(41)34-21(18-37)6-5-14-33-30(31)32/h8-9,11-12,20-21,23-26,37-39H,2-7,10,13-18H2,1H3,(H,34,41)(H,35,40)(H4,31,32,33)/t20-,21?,23?,24-,25-,26-/m0/s1
+CH$LINK: PUBCHEM CID:146683747
+CH$LINK: INCHIKEY KVEGLZCDCVSBQX-ZHYXHTNASA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 62-622
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.625 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 589.3708
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-000i-0003090000-b6191f0c538b69351793
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  136.0756 C8H10NO+ 1 136.0757 -0.41
+  140.1065 C8H14NO+ 1 140.107 -3.56
+  210.1239 C10H16N3O2+ 1 210.1237 1
+  286.2125 C14H28N3O3+ 3 286.2125 -0.2
+  311.2077 C15H27N4O3+ 2 311.2078 -0.27
+  328.2343 C15H30N5O3+ 2 328.2343 -0.08
+  589.3705 C30H49N6O6+ 1 589.3708 -0.49
+PK$NUM_PEAK: 7
+PK$PEAK: m/z int. rel.int.
+  136.0756 79566.3 10
+  140.1065 92171.5 11
+  210.1239 118184.2 14
+  286.2125 149927.9 18
+  311.2077 1667795.8 211
+  328.2343 965888.4 122
+  589.3705 7884180 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED124005.txt b/Eawag/MSBNK-EAWAG-ED124005.txt
new file mode 100644
index 0000000000..f4f48cc5ec
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED124005.txt
@@ -0,0 +1,88 @@
+ACCESSION: MSBNK-EAWAG-ED124005
+RECORD_TITLE: Aeruginosin NOL3; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1371/journal.pone.0073618
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1240
+CH$NAME: Aeruginosin NOL3
+CH$NAME: (2S,3aS,7aS)-N-(5-guanidino-1-hydroxypentan-2-yl)-1-((S)-2-hexanamido-3-(4-hydroxyphenyl)propanoyl)-6-hydroxyoctahydro-1H-indole-2-carboxamide                                                                                    (2S)-N-(1-carbamimidoyl-2-hydroxypiperidin-3-yl)-1-((2R)-2-(2-hydroxy-4-(4-hydroxyphenyl)butanamido)-3-(4-hydroxyphenyl)propanoyl)-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C30H48N6O6
+CH$EXACT_MASS: 588.3635333
+CH$SMILES: CCCCCC(N[C@H](C(N([C@H](C(NC(CO)CCCNC(N)=N)=O)C1)[C@@H]2[C@H]1CCC(O)C2)=O)CC3=CC=C(O)C=C3)=O
+CH$IUPAC: InChI=1S/C30H48N6O6/c1-2-3-4-7-27(40)35-24(15-19-8-11-22(38)12-9-19)29(42)36-25-17-23(39)13-10-20(25)16-26(36)28(41)34-21(18-37)6-5-14-33-30(31)32/h8-9,11-12,20-21,23-26,37-39H,2-7,10,13-18H2,1H3,(H,34,41)(H,35,40)(H4,31,32,33)/t20-,21?,23?,24-,25-,26-/m0/s1
+CH$LINK: PUBCHEM CID:146683747
+CH$LINK: INCHIKEY KVEGLZCDCVSBQX-ZHYXHTNASA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 62-622
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.625 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 589.3708
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-03du-0849020000-46bf5011c33380ba66fc
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  82.0651 C5H8N+ 1 82.0651 0.27
+  84.0808 C5H10N+ 1 84.0808 0.66
+  101.1072 C5H13N2+ 1 101.1073 -1.35
+  102.0913 C5H12NO+ 1 102.0913 -0.23
+  119.1176 C5H15N2O+ 1 119.1179 -2.2
+  122.0961 C8H12N+ 1 122.0964 -2.27
+  126.1024 C6H12N3+ 1 126.1026 -1.66
+  127.0863 C6H11N2O+ 1 127.0866 -2
+  136.0755 C8H10NO+ 1 136.0757 -1.09
+  140.1068 C8H14NO+ 1 140.107 -1.71
+  144.1129 C6H14N3O+ 1 144.1131 -1.34
+  155.0813 C7H11N2O2+ 1 155.0815 -1.28
+  161.1394 C6H17N4O+ 1 161.1397 -2.03
+  192.1128 C10H14N3O+ 1 192.1131 -1.54
+  210.1237 C10H16N3O2+ 1 210.1237 -0.02
+  234.1494 C14H20NO2+ 1 234.1489 2.16
+  268.2018 C14H26N3O2+ 2 268.202 -0.57
+  276.1715 C15H22N3O2+ 2 276.1707 3.01
+  286.2123 C14H28N3O3+ 2 286.2125 -0.73
+  293.1971 C15H25N4O2+ 3 293.1972 -0.38
+  311.2077 C15H27N4O3+ 2 311.2078 -0.36
+  328.2342 C15H30N5O3+ 2 328.2343 -0.36
+  589.3704 C30H49N6O6+ 1 589.3708 -0.7
+PK$NUM_PEAK: 23
+PK$PEAK: m/z int. rel.int.
+  82.0651 52633.7 24
+  84.0808 105431.9 49
+  101.1072 41300.8 19
+  102.0913 278869.2 130
+  119.1176 41827.6 19
+  122.0961 106085.4 49
+  126.1024 98997.2 46
+  127.0863 22911.7 10
+  136.0755 1100398.1 516
+  140.1068 990588.1 464
+  144.1129 222942.2 104
+  155.0813 131770.9 61
+  161.1394 76686.8 35
+  192.1128 94436.5 44
+  210.1237 740973.6 347
+  234.1494 194304.3 91
+  268.2018 139227 65
+  276.1715 116073.6 54
+  286.2123 328652.8 154
+  293.1971 330843.8 155
+  311.2077 2128916.8 999
+  328.2342 1365245.1 640
+  589.3704 978663.2 459
+//
diff --git a/Eawag/MSBNK-EAWAG-ED124006.txt b/Eawag/MSBNK-EAWAG-ED124006.txt
new file mode 100644
index 0000000000..aaa20bbd7d
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED124006.txt
@@ -0,0 +1,94 @@
+ACCESSION: MSBNK-EAWAG-ED124006
+RECORD_TITLE: Aeruginosin NOL3; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1371/journal.pone.0073618
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1240
+CH$NAME: Aeruginosin NOL3
+CH$NAME: (2S,3aS,7aS)-N-(5-guanidino-1-hydroxypentan-2-yl)-1-((S)-2-hexanamido-3-(4-hydroxyphenyl)propanoyl)-6-hydroxyoctahydro-1H-indole-2-carboxamide                                                                                    (2S)-N-(1-carbamimidoyl-2-hydroxypiperidin-3-yl)-1-((2R)-2-(2-hydroxy-4-(4-hydroxyphenyl)butanamido)-3-(4-hydroxyphenyl)propanoyl)-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C30H48N6O6
+CH$EXACT_MASS: 588.3635333
+CH$SMILES: CCCCCC(N[C@H](C(N([C@H](C(NC(CO)CCCNC(N)=N)=O)C1)[C@@H]2[C@H]1CCC(O)C2)=O)CC3=CC=C(O)C=C3)=O
+CH$IUPAC: InChI=1S/C30H48N6O6/c1-2-3-4-7-27(40)35-24(15-19-8-11-22(38)12-9-19)29(42)36-25-17-23(39)13-10-20(25)16-26(36)28(41)34-21(18-37)6-5-14-33-30(31)32/h8-9,11-12,20-21,23-26,37-39H,2-7,10,13-18H2,1H3,(H,34,41)(H,35,40)(H4,31,32,33)/t20-,21?,23?,24-,25-,26-/m0/s1
+CH$LINK: PUBCHEM CID:146683747
+CH$LINK: INCHIKEY KVEGLZCDCVSBQX-ZHYXHTNASA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 62-622
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.625 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 589.3708
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-000l-1911000000-d146c3a6a056e4b9f8c4
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  80.0497 C5H6N+ 1 80.0495 2.34
+  82.0651 C5H8N+ 1 82.0651 -0.75
+  84.0807 C5H10N+ 1 84.0808 -0.52
+  91.0543 C7H7+ 1 91.0542 0.58
+  101.1074 C5H13N2+ 1 101.1073 0.69
+  102.0913 C5H12NO+ 1 102.0913 -0.45
+  112.0758 C6H10NO+ 1 112.0757 0.63
+  119.0491 C8H7O+ 1 119.0491 -0.66
+  119.1175 C5H15N2O+ 1 119.1179 -3.29
+  122.0964 C8H12N+ 1 122.0964 -0.52
+  126.1025 C6H12N3+ 1 126.1026 -0.21
+  129.1019 C6H13N2O+ 1 129.1022 -2.31
+  136.0755 C8H10NO+ 1 136.0757 -1.42
+  140.1068 C8H14NO+ 1 140.107 -1.71
+  143.1287 C6H15N4+ 1 143.1291 -2.67
+  144.1129 C6H14N3O+ 1 144.1131 -1.65
+  155.0814 C7H11N2O2+ 1 155.0815 -0.5
+  161.1394 C6H17N4O+ 1 161.1397 -1.93
+  192.1129 C10H14N3O+ 1 192.1131 -1.22
+  210.1236 C10H16N3O2+ 1 210.1237 -0.6
+  268.2016 C14H26N3O2+ 2 268.202 -1.14
+  276.1704 C15H22N3O2+ 2 276.1707 -0.85
+  286.2129 C14H28N3O3+ 2 286.2125 1.29
+  293.1971 C15H25N4O2+ 2 293.1972 -0.49
+  311.2076 C15H27N4O3+ 2 311.2078 -0.56
+  328.2343 C15H30N5O3+ 2 328.2343 -0.17
+PK$NUM_PEAK: 26
+PK$PEAK: m/z int. rel.int.
+  80.0497 25733.3 10
+  82.0651 340701.4 144
+  84.0807 277280.7 117
+  91.0543 37117.5 15
+  101.1074 55125.4 23
+  102.0913 411979.2 174
+  112.0758 33137 14
+  119.0491 44499.9 18
+  119.1175 57810.8 24
+  122.0964 286987.2 121
+  126.1025 111665.2 47
+  129.1019 31555.9 13
+  136.0755 2354138 999
+  140.1068 1943129.8 824
+  143.1287 24761.6 10
+  144.1129 318079.7 134
+  155.0814 127628.3 54
+  161.1394 79326.6 33
+  192.1129 112390.8 47
+  210.1236 561458.2 238
+  268.2016 54687 23
+  276.1704 108258.5 45
+  286.2129 99547.4 42
+  293.1971 179591.9 76
+  311.2076 446522.2 189
+  328.2343 290279.2 123
+//
diff --git a/Eawag/MSBNK-EAWAG-ED124007.txt b/Eawag/MSBNK-EAWAG-ED124007.txt
new file mode 100644
index 0000000000..89c90b5e18
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED124007.txt
@@ -0,0 +1,82 @@
+ACCESSION: MSBNK-EAWAG-ED124007
+RECORD_TITLE: Aeruginosin NOL3; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1371/journal.pone.0073618
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1240
+CH$NAME: Aeruginosin NOL3
+CH$NAME: (2S,3aS,7aS)-N-(5-guanidino-1-hydroxypentan-2-yl)-1-((S)-2-hexanamido-3-(4-hydroxyphenyl)propanoyl)-6-hydroxyoctahydro-1H-indole-2-carboxamide                                                                                    (2S)-N-(1-carbamimidoyl-2-hydroxypiperidin-3-yl)-1-((2R)-2-(2-hydroxy-4-(4-hydroxyphenyl)butanamido)-3-(4-hydroxyphenyl)propanoyl)-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C30H48N6O6
+CH$EXACT_MASS: 588.3635333
+CH$SMILES: CCCCCC(N[C@H](C(N([C@H](C(NC(CO)CCCNC(N)=N)=O)C1)[C@@H]2[C@H]1CCC(O)C2)=O)CC3=CC=C(O)C=C3)=O
+CH$IUPAC: InChI=1S/C30H48N6O6/c1-2-3-4-7-27(40)35-24(15-19-8-11-22(38)12-9-19)29(42)36-25-17-23(39)13-10-20(25)16-26(36)28(41)34-21(18-37)6-5-14-33-30(31)32/h8-9,11-12,20-21,23-26,37-39H,2-7,10,13-18H2,1H3,(H,34,41)(H,35,40)(H4,31,32,33)/t20-,21?,23?,24-,25-,26-/m0/s1
+CH$LINK: PUBCHEM CID:146683747
+CH$LINK: INCHIKEY KVEGLZCDCVSBQX-ZHYXHTNASA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 62-622
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.625 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 589.3708
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-000l-2900000000-a57c4e5babc5a51b8189
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  80.0496 C5H6N+ 1 80.0495 1.01
+  82.0651 C5H8N+ 1 82.0651 -0.47
+  84.0807 C5H10N+ 1 84.0808 -0.42
+  85.0646 C5H9O+ 1 85.0648 -2.09
+  91.0541 C7H7+ 1 91.0542 -0.85
+  100.0756 C5H10NO+ 1 100.0757 -1.17
+  101.1075 C5H13N2+ 1 101.1073 1.36
+  102.0913 C5H12NO+ 1 102.0913 -0.23
+  105.0699 C8H9+ 1 105.0699 0.21
+  119.049 C8H7O+ 1 119.0491 -1.17
+  119.1182 C5H15N2O+ 1 119.1179 2.54
+  122.0963 C8H12N+ 1 122.0964 -0.77
+  126.1025 C6H12N3+ 1 126.1026 -0.87
+  127.0861 C6H11N2O+ 1 127.0866 -3.68
+  136.0755 C8H10NO+ 1 136.0757 -1.2
+  140.1068 C8H14NO+ 1 140.107 -1.6
+  144.1129 C6H14N3O+ 1 144.1131 -1.87
+  155.0814 C7H11N2O2+ 1 155.0815 -0.89
+  161.1392 C6H17N4O+ 1 161.1397 -3.16
+  210.1238 C10H16N3O2+ 1 210.1237 0.49
+PK$NUM_PEAK: 20
+PK$PEAK: m/z int. rel.int.
+  80.0496 52111.6 17
+  82.0651 950022.2 327
+  84.0807 320237.8 110
+  85.0646 57818.3 19
+  91.0541 147129.4 50
+  100.0756 38685.6 13
+  101.1075 34187.1 11
+  102.0913 384148.4 132
+  105.0699 37122.2 12
+  119.049 181935.1 62
+  119.1182 29558.4 10
+  122.0963 342644.2 118
+  126.1025 113852.6 39
+  127.0861 40228.5 13
+  136.0755 2896052.2 999
+  140.1068 2053698.2 708
+  144.1129 214391.5 73
+  155.0814 73361.6 25
+  161.1392 50221.3 17
+  210.1238 172799.9 59
+//
diff --git a/Eawag/MSBNK-EAWAG-ED124008.txt b/Eawag/MSBNK-EAWAG-ED124008.txt
new file mode 100644
index 0000000000..807baab39d
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED124008.txt
@@ -0,0 +1,84 @@
+ACCESSION: MSBNK-EAWAG-ED124008
+RECORD_TITLE: Aeruginosin NOL3; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1371/journal.pone.0073618
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1240
+CH$NAME: Aeruginosin NOL3
+CH$NAME: (2S,3aS,7aS)-N-(5-guanidino-1-hydroxypentan-2-yl)-1-((S)-2-hexanamido-3-(4-hydroxyphenyl)propanoyl)-6-hydroxyoctahydro-1H-indole-2-carboxamide                                                                                    (2S)-N-(1-carbamimidoyl-2-hydroxypiperidin-3-yl)-1-((2R)-2-(2-hydroxy-4-(4-hydroxyphenyl)butanamido)-3-(4-hydroxyphenyl)propanoyl)-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C30H48N6O6
+CH$EXACT_MASS: 588.3635333
+CH$SMILES: CCCCCC(N[C@H](C(N([C@H](C(NC(CO)CCCNC(N)=N)=O)C1)[C@@H]2[C@H]1CCC(O)C2)=O)CC3=CC=C(O)C=C3)=O
+CH$IUPAC: InChI=1S/C30H48N6O6/c1-2-3-4-7-27(40)35-24(15-19-8-11-22(38)12-9-19)29(42)36-25-17-23(39)13-10-20(25)16-26(36)28(41)34-21(18-37)6-5-14-33-30(31)32/h8-9,11-12,20-21,23-26,37-39H,2-7,10,13-18H2,1H3,(H,34,41)(H,35,40)(H4,31,32,33)/t20-,21?,23?,24-,25-,26-/m0/s1
+CH$LINK: PUBCHEM CID:146683747
+CH$LINK: INCHIKEY KVEGLZCDCVSBQX-ZHYXHTNASA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 62-622
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.625 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 589.3708
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-001c-4900000000-0e4f5f8b4649b866006a
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  67.0541 C5H7+ 1 67.0542 -1.34
+  79.0542 C6H7+ 1 79.0542 -0.34
+  80.0495 C5H6N+ 1 80.0495 0.82
+  82.0651 C5H8N+ 1 82.0651 -0.66
+  84.0807 C5H10N+ 1 84.0808 -0.52
+  85.0649 C5H9O+ 1 85.0648 1.59
+  91.0542 C7H7+ 1 91.0542 -0.51
+  94.0651 C6H8N+ 1 94.0651 -0.75
+  95.0851 C7H11+ 1 95.0855 -4.12
+  98.035 C3H4N3O+ 1 98.0349 0.77
+  102.0913 C5H12NO+ 1 102.0913 -0.23
+  105.0698 C8H9+ 1 105.0699 -1.17
+  112.0758 C6H10NO+ 1 112.0757 0.9
+  119.049 C8H7O+ 1 119.0491 -0.85
+  122.0964 C8H12N+ 1 122.0964 -0.33
+  123.0802 C8H11O+ 1 123.0804 -1.67
+  127.0865 C6H11N2O+ 1 127.0866 -0.44
+  136.0755 C8H10NO+ 1 136.0757 -1.42
+  140.1068 C8H14NO+ 1 140.107 -1.6
+  144.1129 C6H14N3O+ 1 144.1131 -1.44
+  210.1234 C10H16N3O2+ 1 210.1237 -1.33
+PK$NUM_PEAK: 21
+PK$PEAK: m/z int. rel.int.
+  67.0541 46487.6 16
+  79.0542 68996.8 24
+  80.0495 75876.9 27
+  82.0651 1523488.2 548
+  84.0807 327845 118
+  85.0649 53528.7 19
+  91.0542 448965.7 161
+  94.0651 93632.6 33
+  95.0851 54166.8 19
+  98.035 42060.5 15
+  102.0913 309209.4 111
+  105.0698 94514.7 34
+  112.0758 55789.7 20
+  119.049 455789 164
+  122.0964 264176.8 95
+  123.0802 64430.8 23
+  127.0865 37266.3 13
+  136.0755 2774127.5 999
+  140.1068 1380551.9 497
+  144.1129 126175.4 45
+  210.1234 33980.7 12
+//
diff --git a/Eawag/MSBNK-EAWAG-ED124009.txt b/Eawag/MSBNK-EAWAG-ED124009.txt
new file mode 100644
index 0000000000..183bc47670
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED124009.txt
@@ -0,0 +1,80 @@
+ACCESSION: MSBNK-EAWAG-ED124009
+RECORD_TITLE: Aeruginosin NOL3; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1371/journal.pone.0073618
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1240
+CH$NAME: Aeruginosin NOL3
+CH$NAME: (2S,3aS,7aS)-N-(5-guanidino-1-hydroxypentan-2-yl)-1-((S)-2-hexanamido-3-(4-hydroxyphenyl)propanoyl)-6-hydroxyoctahydro-1H-indole-2-carboxamide                                                                                    (2S)-N-(1-carbamimidoyl-2-hydroxypiperidin-3-yl)-1-((2R)-2-(2-hydroxy-4-(4-hydroxyphenyl)butanamido)-3-(4-hydroxyphenyl)propanoyl)-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C30H48N6O6
+CH$EXACT_MASS: 588.3635333
+CH$SMILES: CCCCCC(N[C@H](C(N([C@H](C(NC(CO)CCCNC(N)=N)=O)C1)[C@@H]2[C@H]1CCC(O)C2)=O)CC3=CC=C(O)C=C3)=O
+CH$IUPAC: InChI=1S/C30H48N6O6/c1-2-3-4-7-27(40)35-24(15-19-8-11-22(38)12-9-19)29(42)36-25-17-23(39)13-10-20(25)16-26(36)28(41)34-21(18-37)6-5-14-33-30(31)32/h8-9,11-12,20-21,23-26,37-39H,2-7,10,13-18H2,1H3,(H,34,41)(H,35,40)(H4,31,32,33)/t20-,21?,23?,24-,25-,26-/m0/s1
+CH$LINK: PUBCHEM CID:146683747
+CH$LINK: INCHIKEY KVEGLZCDCVSBQX-ZHYXHTNASA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 62-622
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.625 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 589.3708
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-001u-8900000000-59a80f5c883d73a6eee6
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  67.0542 C5H7+ 1 67.0542 -0.55
+  79.0542 C6H7+ 1 79.0542 -0.43
+  80.0494 C5H6N+ 1 80.0495 -1.37
+  82.0651 C5H8N+ 1 82.0651 -0.75
+  84.0807 C5H10N+ 1 84.0808 -0.7
+  85.0648 C5H9O+ 1 85.0648 0.42
+  91.0542 C7H7+ 1 91.0542 -0.68
+  94.0651 C6H8N+ 1 94.0651 -0.59
+  95.0855 C7H11+ 1 95.0855 -0.58
+  98.0346 C3H4N3O+ 1 98.0349 -2.73
+  102.0913 C5H12NO+ 1 102.0913 -0.6
+  105.0698 C8H9+ 1 105.0699 -0.45
+  112.0757 C6H10NO+ 1 112.0757 -0.26
+  119.049 C8H7O+ 1 119.0491 -0.92
+  122.0963 C8H12N+ 1 122.0964 -0.77
+  123.0805 C8H11O+ 1 123.0804 0.44
+  136.0755 C8H10NO+ 1 136.0757 -1.42
+  140.1068 C8H14NO+ 1 140.107 -1.49
+  144.1129 C6H14N3O+ 1 144.1131 -1.55
+PK$NUM_PEAK: 19
+PK$PEAK: m/z int. rel.int.
+  67.0542 75786.9 39
+  79.0542 104330.4 54
+  80.0494 83390.8 43
+  82.0651 1802019.6 938
+  84.0807 319978.2 166
+  85.0648 61244.1 31
+  91.0542 982329 511
+  94.0651 172761 89
+  95.0855 64268.7 33
+  98.0346 27656.2 14
+  102.0913 238093.3 124
+  105.0698 152112.7 79
+  112.0757 39951.5 20
+  119.049 679285.2 353
+  122.0963 205461.5 107
+  123.0805 68060.6 35
+  136.0755 1917816.4 999
+  140.1068 735908.4 383
+  144.1129 46999 24
+//
diff --git a/Eawag/MSBNK-EAWAG-ED124051.txt b/Eawag/MSBNK-EAWAG-ED124051.txt
new file mode 100644
index 0000000000..e8e6cabef5
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED124051.txt
@@ -0,0 +1,48 @@
+ACCESSION: MSBNK-EAWAG-ED124051
+RECORD_TITLE: Aeruginosin NOL3; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1371/journal.pone.0073618
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1240
+CH$NAME: Aeruginosin NOL3
+CH$NAME: (2S,3aS,7aS)-N-(5-guanidino-1-hydroxypentan-2-yl)-1-((S)-2-hexanamido-3-(4-hydroxyphenyl)propanoyl)-6-hydroxyoctahydro-1H-indole-2-carboxamide                                                                                    (2S)-N-(1-carbamimidoyl-2-hydroxypiperidin-3-yl)-1-((2R)-2-(2-hydroxy-4-(4-hydroxyphenyl)butanamido)-3-(4-hydroxyphenyl)propanoyl)-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C30H48N6O6
+CH$EXACT_MASS: 588.3635333
+CH$SMILES: CCCCCC(N[C@H](C(N([C@H](C(NC(CO)CCCNC(N)=N)=O)C1)[C@@H]2[C@H]1CCC(O)C2)=O)CC3=CC=C(O)C=C3)=O
+CH$IUPAC: InChI=1S/C30H48N6O6/c1-2-3-4-7-27(40)35-24(15-19-8-11-22(38)12-9-19)29(42)36-25-17-23(39)13-10-20(25)16-26(36)28(41)34-21(18-37)6-5-14-33-30(31)32/h8-9,11-12,20-21,23-26,37-39H,2-7,10,13-18H2,1H3,(H,34,41)(H,35,40)(H4,31,32,33)/t20-,21?,23?,24-,25-,26-/m0/s1
+CH$LINK: PUBCHEM CID:146683747
+CH$LINK: INCHIKEY KVEGLZCDCVSBQX-ZHYXHTNASA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 61-620
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.610 min
+MS$FOCUSED_ION: BASE_PEAK 146.9383
+MS$FOCUSED_ION: PRECURSOR_M/Z 587.3563
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-000i-0000090000-0d396fc134bb60dce5c2
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  326.2188 C15H28N5O3- 1 326.2198 -2.85
+  481.3143 C23H41N6O5- 2 481.3144 -0.13
+  587.3563 C30H47N6O6- 1 587.3563 0.09
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  326.2188 7191.8 10
+  481.3143 33714 49
+  587.3563 685293.4 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED124052.txt b/Eawag/MSBNK-EAWAG-ED124052.txt
new file mode 100644
index 0000000000..e0ee4eabb2
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED124052.txt
@@ -0,0 +1,48 @@
+ACCESSION: MSBNK-EAWAG-ED124052
+RECORD_TITLE: Aeruginosin NOL3; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1371/journal.pone.0073618
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1240
+CH$NAME: Aeruginosin NOL3
+CH$NAME: (2S,3aS,7aS)-N-(5-guanidino-1-hydroxypentan-2-yl)-1-((S)-2-hexanamido-3-(4-hydroxyphenyl)propanoyl)-6-hydroxyoctahydro-1H-indole-2-carboxamide                                                                                    (2S)-N-(1-carbamimidoyl-2-hydroxypiperidin-3-yl)-1-((2R)-2-(2-hydroxy-4-(4-hydroxyphenyl)butanamido)-3-(4-hydroxyphenyl)propanoyl)-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C30H48N6O6
+CH$EXACT_MASS: 588.3635333
+CH$SMILES: CCCCCC(N[C@H](C(N([C@H](C(NC(CO)CCCNC(N)=N)=O)C1)[C@@H]2[C@H]1CCC(O)C2)=O)CC3=CC=C(O)C=C3)=O
+CH$IUPAC: InChI=1S/C30H48N6O6/c1-2-3-4-7-27(40)35-24(15-19-8-11-22(38)12-9-19)29(42)36-25-17-23(39)13-10-20(25)16-26(36)28(41)34-21(18-37)6-5-14-33-30(31)32/h8-9,11-12,20-21,23-26,37-39H,2-7,10,13-18H2,1H3,(H,34,41)(H,35,40)(H4,31,32,33)/t20-,21?,23?,24-,25-,26-/m0/s1
+CH$LINK: PUBCHEM CID:146683747
+CH$LINK: INCHIKEY KVEGLZCDCVSBQX-ZHYXHTNASA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 61-620
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.610 min
+MS$FOCUSED_ION: BASE_PEAK 146.9383
+MS$FOCUSED_ION: PRECURSOR_M/Z 587.3563
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-000i-0000390000-039827a40a6993ed8d15
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  326.2183 C15H28N5O3- 2 326.2198 -4.53
+  481.314 C23H41N6O5- 2 481.3144 -0.82
+  587.3559 C30H47N6O6- 1 587.3563 -0.54
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  326.2183 31226.2 77
+  481.314 155996.6 388
+  587.3559 401538.9 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED124053.txt b/Eawag/MSBNK-EAWAG-ED124053.txt
new file mode 100644
index 0000000000..584b0cfde6
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED124053.txt
@@ -0,0 +1,50 @@
+ACCESSION: MSBNK-EAWAG-ED124053
+RECORD_TITLE: Aeruginosin NOL3; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1371/journal.pone.0073618
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1240
+CH$NAME: Aeruginosin NOL3
+CH$NAME: (2S,3aS,7aS)-N-(5-guanidino-1-hydroxypentan-2-yl)-1-((S)-2-hexanamido-3-(4-hydroxyphenyl)propanoyl)-6-hydroxyoctahydro-1H-indole-2-carboxamide                                                                                    (2S)-N-(1-carbamimidoyl-2-hydroxypiperidin-3-yl)-1-((2R)-2-(2-hydroxy-4-(4-hydroxyphenyl)butanamido)-3-(4-hydroxyphenyl)propanoyl)-4-methylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C30H48N6O6
+CH$EXACT_MASS: 588.3635333
+CH$SMILES: CCCCCC(N[C@H](C(N([C@H](C(NC(CO)CCCNC(N)=N)=O)C1)[C@@H]2[C@H]1CCC(O)C2)=O)CC3=CC=C(O)C=C3)=O
+CH$IUPAC: InChI=1S/C30H48N6O6/c1-2-3-4-7-27(40)35-24(15-19-8-11-22(38)12-9-19)29(42)36-25-17-23(39)13-10-20(25)16-26(36)28(41)34-21(18-37)6-5-14-33-30(31)32/h8-9,11-12,20-21,23-26,37-39H,2-7,10,13-18H2,1H3,(H,34,41)(H,35,40)(H4,31,32,33)/t20-,21?,23?,24-,25-,26-/m0/s1
+CH$LINK: PUBCHEM CID:146683747
+CH$LINK: INCHIKEY KVEGLZCDCVSBQX-ZHYXHTNASA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 61-620
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.610 min
+MS$FOCUSED_ION: BASE_PEAK 146.9383
+MS$FOCUSED_ION: PRECURSOR_M/Z 587.3563
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-001i-0001940000-23a17b2adfe7ea6987bc
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  326.219 C15H28N5O3- 1 326.2198 -2.19
+  439.292 C24H41NO6- 2 439.2939 -4.39
+  481.3144 C23H41N6O5- 2 481.3144 0
+  587.3559 C30H47N6O6- 1 587.3563 -0.64
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  326.219 49179.6 170
+  439.292 12355.1 42
+  481.3144 288772.6 999
+  587.3559 137967.5 477
+//
diff --git a/Eawag/MSBNK-EAWAG-ED124501.txt b/Eawag/MSBNK-EAWAG-ED124501.txt
new file mode 100644
index 0000000000..a6b02ebb92
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED124501.txt
@@ -0,0 +1,48 @@
+ACCESSION: MSBNK-EAWAG-ED124501
+RECORD_TITLE: Aeruginosin NAL2; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1371/journal.pone.0073618
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1245
+CH$NAME: Aeruginosin NAL2
+CH$NAME: (2S,3aS,7aS)-N-(5-guanidino-1-oxopentan-2-yl)-1-(hexanoyl-L-tyrosyl)-6-hydroxyoctahydro-1H-indole-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C30H46N6O6
+CH$EXACT_MASS: 586.3478832
+CH$SMILES: CCCCCC(N[C@H](C(N([C@H](C(NC(C=O)CCCNC(N)=N)=O)C1)[C@@H]2[C@H]1CCC(O)C2)=O)CC3=CC=C(O)C=C3)=O
+CH$IUPAC: InChI=1S/C30H46N6O6/c1-2-3-4-7-27(40)35-24(15-19-8-11-22(38)12-9-19)29(42)36-25-17-23(39)13-10-20(25)16-26(36)28(41)34-21(18-37)6-5-14-33-30(31)32/h8-9,11-12,18,20-21,23-26,38-39H,2-7,10,13-17H2,1H3,(H,34,41)(H,35,40)(H4,31,32,33)/t20-,21?,23?,24-,25-,26-/m0/s1
+CH$LINK: PUBCHEM CID:146683748
+CH$LINK: INCHIKEY NYGVGDLVEMUBNK-ZHYXHTNASA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 61-620
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.034 min
+MS$FOCUSED_ION: BASE_PEAK 587.3547
+MS$FOCUSED_ION: PRECURSOR_M/Z 587.3552
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-000i-0000090000-58f1fbd775bde8195b0a
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  527.3226 C29H43N4O5+ 1 527.3228 -0.4
+  569.3444 C30H45N6O5+ 1 569.3446 -0.36
+  587.3548 C30H47N6O6+ 1 587.3552 -0.66
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  527.3226 2303375 82
+  569.3444 7652074.5 273
+  587.3548 27916274 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED124502.txt b/Eawag/MSBNK-EAWAG-ED124502.txt
new file mode 100644
index 0000000000..53bd9fa1ca
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED124502.txt
@@ -0,0 +1,50 @@
+ACCESSION: MSBNK-EAWAG-ED124502
+RECORD_TITLE: Aeruginosin NAL2; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1371/journal.pone.0073618
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1245
+CH$NAME: Aeruginosin NAL2
+CH$NAME: (2S,3aS,7aS)-N-(5-guanidino-1-oxopentan-2-yl)-1-(hexanoyl-L-tyrosyl)-6-hydroxyoctahydro-1H-indole-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C30H46N6O6
+CH$EXACT_MASS: 586.3478832
+CH$SMILES: CCCCCC(N[C@H](C(N([C@H](C(NC(C=O)CCCNC(N)=N)=O)C1)[C@@H]2[C@H]1CCC(O)C2)=O)CC3=CC=C(O)C=C3)=O
+CH$IUPAC: InChI=1S/C30H46N6O6/c1-2-3-4-7-27(40)35-24(15-19-8-11-22(38)12-9-19)29(42)36-25-17-23(39)13-10-20(25)16-26(36)28(41)34-21(18-37)6-5-14-33-30(31)32/h8-9,11-12,18,20-21,23-26,38-39H,2-7,10,13-17H2,1H3,(H,34,41)(H,35,40)(H4,31,32,33)/t20-,21?,23?,24-,25-,26-/m0/s1
+CH$LINK: PUBCHEM CID:146683748
+CH$LINK: INCHIKEY NYGVGDLVEMUBNK-ZHYXHTNASA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 61-620
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.034 min
+MS$FOCUSED_ION: BASE_PEAK 587.3547
+MS$FOCUSED_ION: PRECURSOR_M/Z 587.3552
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-00kr-0000090000-a06519bbee24193f1f2d
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  266.1864 C14H24N3O2+ 2 266.1863 0.24
+  527.3225 C29H43N4O5+ 1 527.3228 -0.51
+  569.3443 C30H45N6O5+ 1 569.3446 -0.47
+  587.3547 C30H47N6O6+ 1 587.3552 -0.76
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  266.1864 893844.4 48
+  527.3225 3305095.5 180
+  569.3443 10981450 599
+  587.3547 18289416 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED124503.txt b/Eawag/MSBNK-EAWAG-ED124503.txt
new file mode 100644
index 0000000000..cac85b89f3
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED124503.txt
@@ -0,0 +1,56 @@
+ACCESSION: MSBNK-EAWAG-ED124503
+RECORD_TITLE: Aeruginosin NAL2; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1371/journal.pone.0073618
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1245
+CH$NAME: Aeruginosin NAL2
+CH$NAME: (2S,3aS,7aS)-N-(5-guanidino-1-oxopentan-2-yl)-1-(hexanoyl-L-tyrosyl)-6-hydroxyoctahydro-1H-indole-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C30H46N6O6
+CH$EXACT_MASS: 586.3478832
+CH$SMILES: CCCCCC(N[C@H](C(N([C@H](C(NC(C=O)CCCNC(N)=N)=O)C1)[C@@H]2[C@H]1CCC(O)C2)=O)CC3=CC=C(O)C=C3)=O
+CH$IUPAC: InChI=1S/C30H46N6O6/c1-2-3-4-7-27(40)35-24(15-19-8-11-22(38)12-9-19)29(42)36-25-17-23(39)13-10-20(25)16-26(36)28(41)34-21(18-37)6-5-14-33-30(31)32/h8-9,11-12,18,20-21,23-26,38-39H,2-7,10,13-17H2,1H3,(H,34,41)(H,35,40)(H4,31,32,33)/t20-,21?,23?,24-,25-,26-/m0/s1
+CH$LINK: PUBCHEM CID:146683748
+CH$LINK: INCHIKEY NYGVGDLVEMUBNK-ZHYXHTNASA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 61-620
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.034 min
+MS$FOCUSED_ION: BASE_PEAK 587.3547
+MS$FOCUSED_ION: PRECURSOR_M/Z 587.3552
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-014r-0010090000-d9cc11733cb9c75cb5b7
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  221.1648 C13H21N2O+ 1 221.1648 -0.04
+  266.1865 C14H24N3O2+ 2 266.1863 0.58
+  308.2085 C15H26N5O2+ 2 308.2081 1.33
+  309.1924 C15H25N4O3+ 2 309.1921 0.8
+  527.3227 C29H43N4O5+ 1 527.3228 -0.16
+  569.3446 C30H45N6O5+ 1 569.3446 -0.04
+  587.3551 C30H47N6O6+ 1 587.3552 -0.14
+PK$NUM_PEAK: 7
+PK$PEAK: m/z int. rel.int.
+  221.1648 158585.6 11
+  266.1865 3996222.8 295
+  308.2085 388024.4 28
+  309.1924 250496.9 18
+  527.3227 2777723.2 205
+  569.3446 13532706 999
+  587.3551 12839082 947
+//
diff --git a/Eawag/MSBNK-EAWAG-ED124504.txt b/Eawag/MSBNK-EAWAG-ED124504.txt
new file mode 100644
index 0000000000..fa9477f61f
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED124504.txt
@@ -0,0 +1,64 @@
+ACCESSION: MSBNK-EAWAG-ED124504
+RECORD_TITLE: Aeruginosin NAL2; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1371/journal.pone.0073618
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1245
+CH$NAME: Aeruginosin NAL2
+CH$NAME: (2S,3aS,7aS)-N-(5-guanidino-1-oxopentan-2-yl)-1-(hexanoyl-L-tyrosyl)-6-hydroxyoctahydro-1H-indole-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C30H46N6O6
+CH$EXACT_MASS: 586.3478832
+CH$SMILES: CCCCCC(N[C@H](C(N([C@H](C(NC(C=O)CCCNC(N)=N)=O)C1)[C@@H]2[C@H]1CCC(O)C2)=O)CC3=CC=C(O)C=C3)=O
+CH$IUPAC: InChI=1S/C30H46N6O6/c1-2-3-4-7-27(40)35-24(15-19-8-11-22(38)12-9-19)29(42)36-25-17-23(39)13-10-20(25)16-26(36)28(41)34-21(18-37)6-5-14-33-30(31)32/h8-9,11-12,18,20-21,23-26,38-39H,2-7,10,13-17H2,1H3,(H,34,41)(H,35,40)(H4,31,32,33)/t20-,21?,23?,24-,25-,26-/m0/s1
+CH$LINK: PUBCHEM CID:146683748
+CH$LINK: INCHIKEY NYGVGDLVEMUBNK-ZHYXHTNASA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 61-620
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.034 min
+MS$FOCUSED_ION: BASE_PEAK 587.3547
+MS$FOCUSED_ION: PRECURSOR_M/Z 587.3552
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-014i-0041090000-8370f9c8008a368a8062
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  136.0754 C8H10NO+ 1 136.0757 -1.98
+  140.1069 C8H14NO+ 1 140.107 -0.95
+  142.0973 C6H12N3O+ 1 142.0975 -1.26
+  221.1648 C13H21N2O+ 1 221.1648 -0.18
+  266.1863 C14H24N3O2+ 2 266.1863 0.12
+  291.1811 C15H23N4O2+ 2 291.1816 -1.64
+  308.2081 C15H26N5O2+ 3 308.2081 0.04
+  309.1921 C15H25N4O3+ 2 309.1921 0.02
+  527.3225 C29H43N4O5+ 1 527.3228 -0.63
+  569.3445 C30H45N6O5+ 1 569.3446 -0.15
+  587.3547 C30H47N6O6+ 1 587.3552 -0.76
+PK$NUM_PEAK: 11
+PK$PEAK: m/z int. rel.int.
+  136.0754 145784.8 13
+  140.1069 478965.8 43
+  142.0973 150081.5 13
+  221.1648 939206.9 85
+  266.1863 8264028 753
+  291.1811 313015.3 28
+  308.2081 1275048.6 116
+  309.1921 712342.1 64
+  527.3225 1198364.5 109
+  569.3445 10957671 999
+  587.3547 5534843 504
+//
diff --git a/Eawag/MSBNK-EAWAG-ED124505.txt b/Eawag/MSBNK-EAWAG-ED124505.txt
new file mode 100644
index 0000000000..578d0252e2
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED124505.txt
@@ -0,0 +1,90 @@
+ACCESSION: MSBNK-EAWAG-ED124505
+RECORD_TITLE: Aeruginosin NAL2; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1371/journal.pone.0073618
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1245
+CH$NAME: Aeruginosin NAL2
+CH$NAME: (2S,3aS,7aS)-N-(5-guanidino-1-oxopentan-2-yl)-1-(hexanoyl-L-tyrosyl)-6-hydroxyoctahydro-1H-indole-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C30H46N6O6
+CH$EXACT_MASS: 586.3478832
+CH$SMILES: CCCCCC(N[C@H](C(N([C@H](C(NC(C=O)CCCNC(N)=N)=O)C1)[C@@H]2[C@H]1CCC(O)C2)=O)CC3=CC=C(O)C=C3)=O
+CH$IUPAC: InChI=1S/C30H46N6O6/c1-2-3-4-7-27(40)35-24(15-19-8-11-22(38)12-9-19)29(42)36-25-17-23(39)13-10-20(25)16-26(36)28(41)34-21(18-37)6-5-14-33-30(31)32/h8-9,11-12,18,20-21,23-26,38-39H,2-7,10,13-17H2,1H3,(H,34,41)(H,35,40)(H4,31,32,33)/t20-,21?,23?,24-,25-,26-/m0/s1
+CH$LINK: PUBCHEM CID:146683748
+CH$LINK: INCHIKEY NYGVGDLVEMUBNK-ZHYXHTNASA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 61-620
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.034 min
+MS$FOCUSED_ION: BASE_PEAK 587.3547
+MS$FOCUSED_ION: PRECURSOR_M/Z 587.3552
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-014i-0391010000-7c86e60ad8f2555ce6ce
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  82.065 C5H8N+ 1 82.0651 -1.12
+  84.0808 C5H10N+ 1 84.0808 0.75
+  99.0915 C5H11N2+ 1 99.0917 -1.4
+  100.0757 C5H10NO+ 1 100.0757 0.59
+  124.0871 C6H10N3+ 1 124.0869 1.03
+  127.0865 C6H11N2O+ 1 127.0866 -0.98
+  136.0756 C8H10NO+ 1 136.0757 -0.41
+  140.1069 C8H14NO+ 1 140.107 -0.84
+  141.1133 C6H13N4+ 1 141.1135 -1.18
+  142.0974 C6H12N3O+ 1 142.0975 -0.61
+  203.154 C13H19N2+ 1 203.1543 -1.53
+  210.1241 C10H16N3O2+ 2 210.1237 1.94
+  221.1649 C13H21N2O+ 1 221.1648 0.3
+  234.149 C14H20NO2+ 1 234.1489 0.79
+  248.1766 C14H22N3O+ 2 248.1757 3.38
+  249.1599 C14H21N2O2+ 1 249.1598 0.4
+  266.1865 C14H24N3O2+ 2 266.1863 0.69
+  290.198 C15H24N5O+ 2 290.1975 1.43
+  291.1819 C15H23N4O2+ 2 291.1816 1.08
+  308.2084 C15H26N5O2+ 2 308.2081 0.83
+  309.1922 C15H25N4O3+ 2 309.1921 0.21
+  527.3222 C29H43N4O5+ 1 527.3228 -1.09
+  569.3448 C30H45N6O5+ 1 569.3446 0.39
+  587.3555 C30H47N6O6+ 1 587.3552 0.59
+PK$NUM_PEAK: 24
+PK$PEAK: m/z int. rel.int.
+  82.065 156923.5 17
+  84.0808 454476.6 50
+  99.0915 403911 44
+  100.0757 447210.5 49
+  124.0871 214658.5 23
+  127.0865 244942.8 26
+  136.0756 2383741 262
+  140.1069 2961570.5 326
+  141.1133 276997 30
+  142.0974 386871.3 42
+  203.154 91695.1 10
+  210.1241 150524.3 16
+  221.1649 4535644.5 499
+  234.149 564161.8 62
+  248.1766 231700.5 25
+  249.1599 528003.9 58
+  266.1865 9071686 999
+  290.198 591354.1 65
+  291.1819 885303.1 97
+  308.2084 2371801.2 261
+  309.1922 1025154.1 112
+  527.3222 114356 12
+  569.3448 1999463.6 220
+  587.3555 337535.4 37
+//
diff --git a/Eawag/MSBNK-EAWAG-ED124506.txt b/Eawag/MSBNK-EAWAG-ED124506.txt
new file mode 100644
index 0000000000..69af15a15b
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED124506.txt
@@ -0,0 +1,98 @@
+ACCESSION: MSBNK-EAWAG-ED124506
+RECORD_TITLE: Aeruginosin NAL2; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1371/journal.pone.0073618
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1245
+CH$NAME: Aeruginosin NAL2
+CH$NAME: (2S,3aS,7aS)-N-(5-guanidino-1-oxopentan-2-yl)-1-(hexanoyl-L-tyrosyl)-6-hydroxyoctahydro-1H-indole-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C30H46N6O6
+CH$EXACT_MASS: 586.3478832
+CH$SMILES: CCCCCC(N[C@H](C(N([C@H](C(NC(C=O)CCCNC(N)=N)=O)C1)[C@@H]2[C@H]1CCC(O)C2)=O)CC3=CC=C(O)C=C3)=O
+CH$IUPAC: InChI=1S/C30H46N6O6/c1-2-3-4-7-27(40)35-24(15-19-8-11-22(38)12-9-19)29(42)36-25-17-23(39)13-10-20(25)16-26(36)28(41)34-21(18-37)6-5-14-33-30(31)32/h8-9,11-12,18,20-21,23-26,38-39H,2-7,10,13-17H2,1H3,(H,34,41)(H,35,40)(H4,31,32,33)/t20-,21?,23?,24-,25-,26-/m0/s1
+CH$LINK: PUBCHEM CID:146683748
+CH$LINK: INCHIKEY NYGVGDLVEMUBNK-ZHYXHTNASA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 61-620
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.034 min
+MS$FOCUSED_ION: BASE_PEAK 587.3547
+MS$FOCUSED_ION: PRECURSOR_M/Z 587.3552
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-007c-2950000000-9bc3db3e506852b6c4da
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  82.0651 C5H8N+ 1 82.0651 0.27
+  84.0808 C5H10N+ 1 84.0808 -0.06
+  91.0542 C7H7+ 1 91.0542 0.16
+  97.0761 C5H9N2+ 1 97.076 0.96
+  99.0917 C5H11N2+ 1 99.0917 -0.25
+  100.0757 C5H10NO+ 1 100.0757 0.13
+  119.0491 C8H7O+ 1 119.0491 -0.66
+  122.0963 C8H12N+ 1 122.0964 -0.83
+  124.0867 C6H10N3+ 1 124.0869 -1.68
+  126.1023 C6H12N3+ 1 126.1026 -2.02
+  127.0864 C6H11N2O+ 1 127.0866 -1.28
+  136.0755 C8H10NO+ 1 136.0757 -1.09
+  140.1068 C8H14NO+ 1 140.107 -1.49
+  141.1133 C6H13N4+ 1 141.1135 -1.51
+  142.0974 C6H12N3O+ 1 142.0975 -0.29
+  183.1131 C9H15N2O2+ 1 183.1128 1.43
+  203.1538 C13H19N2+ 1 203.1543 -2.5
+  210.124 C10H16N3O2+ 1 210.1237 1.21
+  221.1648 C13H21N2O+ 1 221.1648 -0.11
+  231.1485 C14H19N2O+ 2 231.1492 -2.84
+  234.1488 C14H20NO2+ 1 234.1489 -0.31
+  248.1756 C14H22N3O+ 2 248.1757 -0.43
+  249.1599 C14H21N2O2+ 1 249.1598 0.4
+  263.1866 C14H23N4O+ 2 263.1866 -0.3
+  266.1864 C14H24N3O2+ 2 266.1863 0.46
+  273.1716 C15H21N4O+ 2 273.171 2.21
+  291.1819 C15H23N4O2+ 2 291.1816 1.08
+  308.2085 C15H26N5O2+ 2 308.2081 1.43
+PK$NUM_PEAK: 28
+PK$PEAK: m/z int. rel.int.
+  82.0651 861136 154
+  84.0808 1091604 195
+  91.0542 79841.1 14
+  97.0761 66141.5 11
+  99.0917 864329.1 154
+  100.0757 588806.4 105
+  119.0491 106798.4 19
+  122.0963 280923.2 50
+  124.0867 291186.1 52
+  126.1023 169337.3 30
+  127.0864 350417.7 62
+  136.0755 5573991 999
+  140.1068 5186706.5 929
+  141.1133 331286.9 59
+  142.0974 336574.5 60
+  183.1131 98965.2 17
+  203.1538 143244.2 25
+  210.124 171757.6 30
+  221.1648 4021088 720
+  231.1485 237419 42
+  234.1488 249990.8 44
+  248.1756 265596 47
+  249.1599 528220.8 94
+  263.1866 155829.4 27
+  266.1864 2294224.8 411
+  273.1716 375412.5 67
+  291.1819 316364.8 56
+  308.2085 531008.4 95
+//
diff --git a/Eawag/MSBNK-EAWAG-ED124507.txt b/Eawag/MSBNK-EAWAG-ED124507.txt
new file mode 100644
index 0000000000..6028ea2792
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED124507.txt
@@ -0,0 +1,92 @@
+ACCESSION: MSBNK-EAWAG-ED124507
+RECORD_TITLE: Aeruginosin NAL2; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1371/journal.pone.0073618
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1245
+CH$NAME: Aeruginosin NAL2
+CH$NAME: (2S,3aS,7aS)-N-(5-guanidino-1-oxopentan-2-yl)-1-(hexanoyl-L-tyrosyl)-6-hydroxyoctahydro-1H-indole-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C30H46N6O6
+CH$EXACT_MASS: 586.3478832
+CH$SMILES: CCCCCC(N[C@H](C(N([C@H](C(NC(C=O)CCCNC(N)=N)=O)C1)[C@@H]2[C@H]1CCC(O)C2)=O)CC3=CC=C(O)C=C3)=O
+CH$IUPAC: InChI=1S/C30H46N6O6/c1-2-3-4-7-27(40)35-24(15-19-8-11-22(38)12-9-19)29(42)36-25-17-23(39)13-10-20(25)16-26(36)28(41)34-21(18-37)6-5-14-33-30(31)32/h8-9,11-12,18,20-21,23-26,38-39H,2-7,10,13-17H2,1H3,(H,34,41)(H,35,40)(H4,31,32,33)/t20-,21?,23?,24-,25-,26-/m0/s1
+CH$LINK: PUBCHEM CID:146683748
+CH$LINK: INCHIKEY NYGVGDLVEMUBNK-ZHYXHTNASA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 61-620
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.034 min
+MS$FOCUSED_ION: BASE_PEAK 587.3547
+MS$FOCUSED_ION: PRECURSOR_M/Z 587.3552
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-000l-2920000000-55d97ff70333fa3dcfe0
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  71.0856 C5H11+ 1 71.0855 1.35
+  80.0494 C5H6N+ 1 80.0495 -0.33
+  82.0651 C5H8N+ 1 82.0651 -0.47
+  84.0807 C5H10N+ 1 84.0808 -0.33
+  91.0542 C7H7+ 1 91.0542 -0.43
+  97.0764 C5H9N2+ 1 97.076 3.55
+  99.0917 C5H11N2+ 1 99.0917 -0.17
+  100.0757 C5H10NO+ 1 100.0757 0.21
+  110.0601 C6H8NO+ 1 110.06 0.2
+  119.049 C8H7O+ 1 119.0491 -1.24
+  122.0963 C8H12N+ 1 122.0964 -0.77
+  124.0869 C6H10N3+ 1 124.0869 -0.2
+  126.1025 C6H12N3+ 1 126.1026 -0.75
+  127.0867 C6H11N2O+ 1 127.0866 0.58
+  136.0755 C8H10NO+ 1 136.0757 -1.09
+  138.0912 C8H12NO+ 1 138.0913 -1.35
+  140.1068 C8H14NO+ 1 140.107 -1.49
+  141.1131 C6H13N4+ 1 141.1135 -2.48
+  142.0973 C6H12N3O+ 1 142.0975 -1.58
+  203.1535 C13H19N2+ 1 203.1543 -3.86
+  221.1649 C13H21N2O+ 1 221.1648 0.1
+  231.1492 C14H19N2O+ 1 231.1492 0.26
+  249.1596 C14H21N2O2+ 2 249.1598 -0.58
+  266.1864 C14H24N3O2+ 2 266.1863 0.35
+  273.1712 C15H21N4O+ 2 273.171 0.76
+PK$NUM_PEAK: 25
+PK$PEAK: m/z int. rel.int.
+  71.0856 68093 10
+  80.0494 72916 11
+  82.0651 1962058.4 302
+  84.0807 1079860.6 166
+  91.0542 283905.4 43
+  97.0764 77848 11
+  99.0917 806656.6 124
+  100.0757 497353.1 76
+  110.0601 101254.7 15
+  119.049 407614.2 62
+  122.0963 315058.2 48
+  124.0869 240272.4 37
+  126.1025 119891.8 18
+  127.0867 237364.4 36
+  136.0755 6480894 999
+  138.0912 99784.8 15
+  140.1068 4417190 680
+  141.1131 244257.5 37
+  142.0973 176140.7 27
+  203.1535 148262.7 22
+  221.1649 1909355.5 294
+  231.1492 203955.4 31
+  249.1596 253017.9 39
+  266.1864 377326.2 58
+  273.1712 141358.2 21
+//
diff --git a/Eawag/MSBNK-EAWAG-ED124508.txt b/Eawag/MSBNK-EAWAG-ED124508.txt
new file mode 100644
index 0000000000..4f4a42d7f5
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED124508.txt
@@ -0,0 +1,96 @@
+ACCESSION: MSBNK-EAWAG-ED124508
+RECORD_TITLE: Aeruginosin NAL2; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1371/journal.pone.0073618
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1245
+CH$NAME: Aeruginosin NAL2
+CH$NAME: (2S,3aS,7aS)-N-(5-guanidino-1-oxopentan-2-yl)-1-(hexanoyl-L-tyrosyl)-6-hydroxyoctahydro-1H-indole-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C30H46N6O6
+CH$EXACT_MASS: 586.3478832
+CH$SMILES: CCCCCC(N[C@H](C(N([C@H](C(NC(C=O)CCCNC(N)=N)=O)C1)[C@@H]2[C@H]1CCC(O)C2)=O)CC3=CC=C(O)C=C3)=O
+CH$IUPAC: InChI=1S/C30H46N6O6/c1-2-3-4-7-27(40)35-24(15-19-8-11-22(38)12-9-19)29(42)36-25-17-23(39)13-10-20(25)16-26(36)28(41)34-21(18-37)6-5-14-33-30(31)32/h8-9,11-12,18,20-21,23-26,38-39H,2-7,10,13-17H2,1H3,(H,34,41)(H,35,40)(H4,31,32,33)/t20-,21?,23?,24-,25-,26-/m0/s1
+CH$LINK: PUBCHEM CID:146683748
+CH$LINK: INCHIKEY NYGVGDLVEMUBNK-ZHYXHTNASA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 61-620
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.034 min
+MS$FOCUSED_ION: BASE_PEAK 587.3547
+MS$FOCUSED_ION: PRECURSOR_M/Z 587.3552
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-001c-4900000000-8479c1dfc7ed6b4e9116
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  70.0652 C4H8N+ 1 70.0651 0.91
+  71.0855 C5H11+ 1 71.0855 -0.15
+  79.0543 C6H7+ 1 79.0542 0.92
+  80.0495 C5H6N+ 1 80.0495 0.63
+  82.0651 C5H8N+ 1 82.0651 -0.66
+  84.0807 C5H10N+ 1 84.0808 -0.7
+  91.0542 C7H7+ 1 91.0542 -0.51
+  94.065 C6H8N+ 1 94.0651 -1.32
+  99.0916 C5H11N2+ 1 99.0917 -0.33
+  100.0756 C5H10NO+ 1 100.0757 -0.56
+  105.0697 C8H9+ 1 105.0699 -1.83
+  119.049 C8H7O+ 1 119.0491 -0.98
+  120.0809 C8H10N+ 1 120.0808 0.89
+  122.0964 C8H12N+ 1 122.0964 0.04
+  123.0806 C8H11O+ 1 123.0804 1.68
+  124.0869 C6H10N3+ 1 124.0869 -0.51
+  126.1026 C6H12N3+ 1 126.1026 0.28
+  127.0864 C6H11N2O+ 1 127.0866 -1.4
+  136.0755 C8H10NO+ 1 136.0757 -1.42
+  138.091 C8H12NO+ 1 138.0913 -2.45
+  140.1067 C8H14NO+ 1 140.107 -1.82
+  141.1133 C6H13N4+ 1 141.1135 -1.07
+  142.0974 C6H12N3O+ 1 142.0975 -0.94
+  151.0863 C8H11N2O+ 1 151.0866 -2.18
+  152.1071 C9H14NO+ 1 152.107 0.68
+  221.1648 C13H21N2O+ 1 221.1648 -0.32
+  249.1592 C14H21N2O2+ 2 249.1598 -2.29
+PK$NUM_PEAK: 27
+PK$PEAK: m/z int. rel.int.
+  70.0652 144466 17
+  71.0855 83592.6 10
+  79.0543 163284.6 20
+  80.0495 151949.4 18
+  82.0651 4192686 521
+  84.0807 1355644 168
+  91.0542 1110875.5 138
+  94.065 215429.5 26
+  99.0916 858987.4 106
+  100.0756 617191.7 76
+  105.0697 167820.7 20
+  119.049 1218505.2 151
+  120.0809 113269.5 14
+  122.0964 365235.4 45
+  123.0806 199160.4 24
+  124.0869 318828 39
+  126.1026 100315.2 12
+  127.0864 156983.2 19
+  136.0755 8036632 999
+  138.091 162815.5 20
+  140.1067 4046641.2 503
+  141.1133 178830.6 22
+  142.0974 110739.7 13
+  151.0863 99682.8 12
+  152.1071 117530 14
+  221.1648 1075353.4 133
+  249.1592 89869.8 11
+//
diff --git a/Eawag/MSBNK-EAWAG-ED124509.txt b/Eawag/MSBNK-EAWAG-ED124509.txt
new file mode 100644
index 0000000000..3c52f49976
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED124509.txt
@@ -0,0 +1,90 @@
+ACCESSION: MSBNK-EAWAG-ED124509
+RECORD_TITLE: Aeruginosin NAL2; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1371/journal.pone.0073618
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1245
+CH$NAME: Aeruginosin NAL2
+CH$NAME: (2S,3aS,7aS)-N-(5-guanidino-1-oxopentan-2-yl)-1-(hexanoyl-L-tyrosyl)-6-hydroxyoctahydro-1H-indole-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C30H46N6O6
+CH$EXACT_MASS: 586.3478832
+CH$SMILES: CCCCCC(N[C@H](C(N([C@H](C(NC(C=O)CCCNC(N)=N)=O)C1)[C@@H]2[C@H]1CCC(O)C2)=O)CC3=CC=C(O)C=C3)=O
+CH$IUPAC: InChI=1S/C30H46N6O6/c1-2-3-4-7-27(40)35-24(15-19-8-11-22(38)12-9-19)29(42)36-25-17-23(39)13-10-20(25)16-26(36)28(41)34-21(18-37)6-5-14-33-30(31)32/h8-9,11-12,18,20-21,23-26,38-39H,2-7,10,13-17H2,1H3,(H,34,41)(H,35,40)(H4,31,32,33)/t20-,21?,23?,24-,25-,26-/m0/s1
+CH$LINK: PUBCHEM CID:146683748
+CH$LINK: INCHIKEY NYGVGDLVEMUBNK-ZHYXHTNASA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 61-620
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.034 min
+MS$FOCUSED_ION: BASE_PEAK 587.3547
+MS$FOCUSED_ION: PRECURSOR_M/Z 587.3552
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-001u-7900000000-ec7c3bd66929d0914153
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  70.065 C4H8N+ 1 70.0651 -1.49
+  71.0855 C5H11+ 1 71.0855 -0.9
+  79.0543 C6H7+ 1 79.0542 0.53
+  80.0495 C5H6N+ 1 80.0495 0.06
+  82.0651 C5H8N+ 1 82.0651 -0.56
+  84.0807 C5H10N+ 1 84.0808 -0.52
+  91.0542 C7H7+ 1 91.0542 -0.51
+  94.0651 C6H8N+ 1 94.0651 -0.67
+  97.0759 C5H9N2+ 1 97.076 -0.93
+  99.0917 C5H11N2+ 1 99.0917 -0.09
+  100.0757 C5H10NO+ 1 100.0757 -0.25
+  105.0697 C8H9+ 1 105.0699 -1.54
+  110.06 C6H8NO+ 1 110.06 -0.29
+  119.0491 C8H7O+ 1 119.0491 -0.47
+  120.0808 C8H10N+ 1 120.0808 0.19
+  122.0963 C8H12N+ 1 122.0964 -0.71
+  123.0804 C8H11O+ 1 123.0804 -0.61
+  124.0866 C6H10N3+ 1 124.0869 -2.54
+  136.0755 C8H10NO+ 1 136.0757 -1.31
+  138.0908 C8H12NO+ 1 138.0913 -3.78
+  140.1068 C8H14NO+ 1 140.107 -1.6
+  141.1132 C6H13N4+ 1 141.1135 -2.05
+  163.1227 C10H15N2+ 1 163.123 -1.93
+  221.1643 C13H21N2O+ 2 221.1648 -2.59
+PK$NUM_PEAK: 24
+PK$PEAK: m/z int. rel.int.
+  70.065 131009.7 20
+  71.0855 79363.4 12
+  79.0543 308635.6 49
+  80.0495 209120.2 33
+  82.0651 5399976 863
+  84.0807 1064405.5 170
+  91.0542 2838779.8 454
+  94.0651 420655.9 67
+  97.0759 99907 15
+  99.0917 636801.9 101
+  100.0757 674561.8 107
+  105.0697 354931.2 56
+  110.06 124869.9 19
+  119.0491 1918752.8 306
+  120.0808 118759.7 18
+  122.0963 282573.1 45
+  123.0804 220170.9 35
+  124.0866 194395 31
+  136.0755 6245282.5 999
+  138.0908 96862.7 15
+  140.1068 2356148 376
+  141.1132 123251.9 19
+  163.1227 96372.7 15
+  221.1643 344534.6 55
+//
diff --git a/Eawag/MSBNK-EAWAG-ED124551.txt b/Eawag/MSBNK-EAWAG-ED124551.txt
new file mode 100644
index 0000000000..b0fd488086
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED124551.txt
@@ -0,0 +1,48 @@
+ACCESSION: MSBNK-EAWAG-ED124551
+RECORD_TITLE: Aeruginosin NAL2; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1371/journal.pone.0073618
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1245
+CH$NAME: Aeruginosin NAL2
+CH$NAME: (2S,3aS,7aS)-N-(5-guanidino-1-oxopentan-2-yl)-1-(hexanoyl-L-tyrosyl)-6-hydroxyoctahydro-1H-indole-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C30H46N6O6
+CH$EXACT_MASS: 586.3478832
+CH$SMILES: CCCCCC(N[C@H](C(N([C@H](C(NC(C=O)CCCNC(N)=N)=O)C1)[C@@H]2[C@H]1CCC(O)C2)=O)CC3=CC=C(O)C=C3)=O
+CH$IUPAC: InChI=1S/C30H46N6O6/c1-2-3-4-7-27(40)35-24(15-19-8-11-22(38)12-9-19)29(42)36-25-17-23(39)13-10-20(25)16-26(36)28(41)34-21(18-37)6-5-14-33-30(31)32/h8-9,11-12,18,20-21,23-26,38-39H,2-7,10,13-17H2,1H3,(H,34,41)(H,35,40)(H4,31,32,33)/t20-,21?,23?,24-,25-,26-/m0/s1
+CH$LINK: PUBCHEM CID:146683748
+CH$LINK: INCHIKEY NYGVGDLVEMUBNK-ZHYXHTNASA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 61-618
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.993 min
+MS$FOCUSED_ION: BASE_PEAK 631.3463
+MS$FOCUSED_ION: PRECURSOR_M/Z 585.3406
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-000i-0000090000-77cdcd98e0cd0a34d419
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  324.2034 C15H26N5O3- 1 324.2041 -2.25
+  479.2985 C23H39N6O5- 2 479.2987 -0.54
+  585.3404 C30H45N6O6- 1 585.3406 -0.39
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  324.2034 98185.6 27
+  479.2985 114641.3 31
+  585.3404 3611354 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED124552.txt b/Eawag/MSBNK-EAWAG-ED124552.txt
new file mode 100644
index 0000000000..bd076a03d9
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED124552.txt
@@ -0,0 +1,52 @@
+ACCESSION: MSBNK-EAWAG-ED124552
+RECORD_TITLE: Aeruginosin NAL2; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1371/journal.pone.0073618
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1245
+CH$NAME: Aeruginosin NAL2
+CH$NAME: (2S,3aS,7aS)-N-(5-guanidino-1-oxopentan-2-yl)-1-(hexanoyl-L-tyrosyl)-6-hydroxyoctahydro-1H-indole-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C30H46N6O6
+CH$EXACT_MASS: 586.3478832
+CH$SMILES: CCCCCC(N[C@H](C(N([C@H](C(NC(C=O)CCCNC(N)=N)=O)C1)[C@@H]2[C@H]1CCC(O)C2)=O)CC3=CC=C(O)C=C3)=O
+CH$IUPAC: InChI=1S/C30H46N6O6/c1-2-3-4-7-27(40)35-24(15-19-8-11-22(38)12-9-19)29(42)36-25-17-23(39)13-10-20(25)16-26(36)28(41)34-21(18-37)6-5-14-33-30(31)32/h8-9,11-12,18,20-21,23-26,38-39H,2-7,10,13-17H2,1H3,(H,34,41)(H,35,40)(H4,31,32,33)/t20-,21?,23?,24-,25-,26-/m0/s1
+CH$LINK: PUBCHEM CID:146683748
+CH$LINK: INCHIKEY NYGVGDLVEMUBNK-ZHYXHTNASA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 61-618
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.993 min
+MS$FOCUSED_ION: BASE_PEAK 631.3463
+MS$FOCUSED_ION: PRECURSOR_M/Z 585.3406
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-000i-0001290000-adb9d3798565369ae90d
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  260.1285 C13H16N4O2- 2 260.1279 2.22
+  324.2034 C15H26N5O3- 1 324.2041 -2.34
+  329.1501 C18H21N2O4- 2 329.1507 -1.89
+  479.2981 C23H39N6O5- 2 479.2987 -1.3
+  585.34 C30H45N6O6- 1 585.3406 -1.02
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  260.1285 68785.5 34
+  324.2034 309044 156
+  329.1501 24280.2 12
+  479.2981 502251.7 253
+  585.34 1978844.4 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED124553.txt b/Eawag/MSBNK-EAWAG-ED124553.txt
new file mode 100644
index 0000000000..0affb5a441
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED124553.txt
@@ -0,0 +1,54 @@
+ACCESSION: MSBNK-EAWAG-ED124553
+RECORD_TITLE: Aeruginosin NAL2; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1371/journal.pone.0073618
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1245
+CH$NAME: Aeruginosin NAL2
+CH$NAME: (2S,3aS,7aS)-N-(5-guanidino-1-oxopentan-2-yl)-1-(hexanoyl-L-tyrosyl)-6-hydroxyoctahydro-1H-indole-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C30H46N6O6
+CH$EXACT_MASS: 586.3478832
+CH$SMILES: CCCCCC(N[C@H](C(N([C@H](C(NC(C=O)CCCNC(N)=N)=O)C1)[C@@H]2[C@H]1CCC(O)C2)=O)CC3=CC=C(O)C=C3)=O
+CH$IUPAC: InChI=1S/C30H46N6O6/c1-2-3-4-7-27(40)35-24(15-19-8-11-22(38)12-9-19)29(42)36-25-17-23(39)13-10-20(25)16-26(36)28(41)34-21(18-37)6-5-14-33-30(31)32/h8-9,11-12,18,20-21,23-26,38-39H,2-7,10,13-17H2,1H3,(H,34,41)(H,35,40)(H4,31,32,33)/t20-,21?,23?,24-,25-,26-/m0/s1
+CH$LINK: PUBCHEM CID:146683748
+CH$LINK: INCHIKEY NYGVGDLVEMUBNK-ZHYXHTNASA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 61-618
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.993 min
+MS$FOCUSED_ION: BASE_PEAK 631.3463
+MS$FOCUSED_ION: PRECURSOR_M/Z 585.3406
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-00bi-0025970000-512b8891467df112a28f
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  154.0867 C8H12NO2- 2 154.0874 -4.08
+  255.1812 C11H27O6- 2 255.1813 -0.31
+  260.1281 C13H16N4O2- 2 260.1279 1.05
+  324.2034 C15H26N5O3- 1 324.2041 -2.34
+  479.2981 C23H39N6O5- 2 479.2987 -1.3
+  585.3402 C30H45N6O6- 1 585.3406 -0.71
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  154.0867 87390 81
+  255.1812 95280 88
+  260.1281 153375.1 142
+  324.2034 634180.7 587
+  479.2981 1077712 999
+  585.3402 860103.8 797
+//
diff --git a/Eawag/MSBNK-EAWAG-ED124554.txt b/Eawag/MSBNK-EAWAG-ED124554.txt
new file mode 100644
index 0000000000..191075bd2a
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED124554.txt
@@ -0,0 +1,62 @@
+ACCESSION: MSBNK-EAWAG-ED124554
+RECORD_TITLE: Aeruginosin NAL2; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1371/journal.pone.0073618
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1245
+CH$NAME: Aeruginosin NAL2
+CH$NAME: (2S,3aS,7aS)-N-(5-guanidino-1-oxopentan-2-yl)-1-(hexanoyl-L-tyrosyl)-6-hydroxyoctahydro-1H-indole-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C30H46N6O6
+CH$EXACT_MASS: 586.3478832
+CH$SMILES: CCCCCC(N[C@H](C(N([C@H](C(NC(C=O)CCCNC(N)=N)=O)C1)[C@@H]2[C@H]1CCC(O)C2)=O)CC3=CC=C(O)C=C3)=O
+CH$IUPAC: InChI=1S/C30H46N6O6/c1-2-3-4-7-27(40)35-24(15-19-8-11-22(38)12-9-19)29(42)36-25-17-23(39)13-10-20(25)16-26(36)28(41)34-21(18-37)6-5-14-33-30(31)32/h8-9,11-12,18,20-21,23-26,38-39H,2-7,10,13-17H2,1H3,(H,34,41)(H,35,40)(H4,31,32,33)/t20-,21?,23?,24-,25-,26-/m0/s1
+CH$LINK: PUBCHEM CID:146683748
+CH$LINK: INCHIKEY NYGVGDLVEMUBNK-ZHYXHTNASA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 61-618
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.993 min
+MS$FOCUSED_ION: BASE_PEAK 631.3463
+MS$FOCUSED_ION: PRECURSOR_M/Z 585.3406
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-00b9-0237900000-da845f64ab0e4604b83a
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  119.0502 C8H7O- 1 119.0502 -0.52
+  154.0867 C8H12NO2- 2 154.0874 -3.98
+  183.0885 C7H11N4O2- 1 183.0887 -1.47
+  255.1815 C11H27O6- 2 255.1813 0.59
+  260.1278 C13H16N4O2- 2 260.1279 -0.48
+  282.1811 C12H22N6O2- 2 282.181 0.38
+  324.2031 C15H26N5O3- 1 324.2041 -3.09
+  381.2255 C17H29N6O4- 2 381.2256 -0.19
+  437.2767 C22H37N4O5- 2 437.2769 -0.53
+  479.2981 C23H39N6O5- 2 479.2987 -1.24
+PK$NUM_PEAK: 10
+PK$PEAK: m/z int. rel.int.
+  119.0502 19209.6 26
+  154.0867 178566.6 249
+  183.0885 40449.5 56
+  255.1815 95708 133
+  260.1278 137775.8 192
+  282.1811 157737.4 220
+  324.2031 678627.4 946
+  381.2255 65750.1 91
+  437.2767 167346.8 233
+  479.2981 716152.4 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED124555.txt b/Eawag/MSBNK-EAWAG-ED124555.txt
new file mode 100644
index 0000000000..b802eeb0f0
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED124555.txt
@@ -0,0 +1,52 @@
+ACCESSION: MSBNK-EAWAG-ED124555
+RECORD_TITLE: Aeruginosin NAL2; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1371/journal.pone.0073618
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1245
+CH$NAME: Aeruginosin NAL2
+CH$NAME: (2S,3aS,7aS)-N-(5-guanidino-1-oxopentan-2-yl)-1-(hexanoyl-L-tyrosyl)-6-hydroxyoctahydro-1H-indole-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C30H46N6O6
+CH$EXACT_MASS: 586.3478832
+CH$SMILES: CCCCCC(N[C@H](C(N([C@H](C(NC(C=O)CCCNC(N)=N)=O)C1)[C@@H]2[C@H]1CCC(O)C2)=O)CC3=CC=C(O)C=C3)=O
+CH$IUPAC: InChI=1S/C30H46N6O6/c1-2-3-4-7-27(40)35-24(15-19-8-11-22(38)12-9-19)29(42)36-25-17-23(39)13-10-20(25)16-26(36)28(41)34-21(18-37)6-5-14-33-30(31)32/h8-9,11-12,18,20-21,23-26,38-39H,2-7,10,13-17H2,1H3,(H,34,41)(H,35,40)(H4,31,32,33)/t20-,21?,23?,24-,25-,26-/m0/s1
+CH$LINK: PUBCHEM CID:146683748
+CH$LINK: INCHIKEY NYGVGDLVEMUBNK-ZHYXHTNASA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 61-618
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.993 min
+MS$FOCUSED_ION: BASE_PEAK 631.3463
+MS$FOCUSED_ION: PRECURSOR_M/Z 585.3406
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0089-0697100000-0a039862a98f9cd534fd
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  154.0867 C8H12NO2- 2 154.0874 -4.28
+  180.1021 C8H12N4O- 1 180.1017 2.3
+  282.1813 C12H22N6O2- 2 282.181 1.03
+  324.2032 C15H26N5O3- 1 324.2041 -2.72
+  437.2767 C22H37N4O5- 2 437.2769 -0.6
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  154.0867 237021.7 490
+  180.1021 86972.2 180
+  282.1813 482301.6 999
+  324.2032 424841.7 879
+  437.2767 69760.8 144
+//
diff --git a/Eawag/MSBNK-EAWAG-ED124556.txt b/Eawag/MSBNK-EAWAG-ED124556.txt
new file mode 100644
index 0000000000..20c9ff5e73
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED124556.txt
@@ -0,0 +1,54 @@
+ACCESSION: MSBNK-EAWAG-ED124556
+RECORD_TITLE: Aeruginosin NAL2; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1371/journal.pone.0073618
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1245
+CH$NAME: Aeruginosin NAL2
+CH$NAME: (2S,3aS,7aS)-N-(5-guanidino-1-oxopentan-2-yl)-1-(hexanoyl-L-tyrosyl)-6-hydroxyoctahydro-1H-indole-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C30H46N6O6
+CH$EXACT_MASS: 586.3478832
+CH$SMILES: CCCCCC(N[C@H](C(N([C@H](C(NC(C=O)CCCNC(N)=N)=O)C1)[C@@H]2[C@H]1CCC(O)C2)=O)CC3=CC=C(O)C=C3)=O
+CH$IUPAC: InChI=1S/C30H46N6O6/c1-2-3-4-7-27(40)35-24(15-19-8-11-22(38)12-9-19)29(42)36-25-17-23(39)13-10-20(25)16-26(36)28(41)34-21(18-37)6-5-14-33-30(31)32/h8-9,11-12,18,20-21,23-26,38-39H,2-7,10,13-17H2,1H3,(H,34,41)(H,35,40)(H4,31,32,33)/t20-,21?,23?,24-,25-,26-/m0/s1
+CH$LINK: PUBCHEM CID:146683748
+CH$LINK: INCHIKEY NYGVGDLVEMUBNK-ZHYXHTNASA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 61-618
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.993 min
+MS$FOCUSED_ION: BASE_PEAK 631.3463
+MS$FOCUSED_ION: PRECURSOR_M/Z 585.3406
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-001i-0291000000-4e2fe74cdd6facfe0df0
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  114.0922 C6H12NO- 1 114.0924 -1.89
+  180.1021 C8H12N4O- 2 180.1017 2.64
+  264.1708 C12H20N6O- 2 264.1704 1.54
+  282.1813 C12H22N6O2- 2 282.181 1.25
+  306.1939 C15H24N5O2- 2 306.1935 1.13
+  324.2027 C15H26N5O3- 2 324.2041 -4.41
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  114.0922 62828.9 123
+  180.1021 101773.7 200
+  264.1708 106347.6 209
+  282.1813 508137 999
+  306.1939 22432.2 44
+  324.2027 82846 162
+//
diff --git a/Eawag/MSBNK-EAWAG-ED125001.txt b/Eawag/MSBNK-EAWAG-ED125001.txt
new file mode 100644
index 0000000000..a4f8235806
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED125001.txt
@@ -0,0 +1,45 @@
+ACCESSION: MSBNK-EAWAG-ED125001
+RECORD_TITLE: Spumigin D; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1111/j.1365-2958.2009.06816.x
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1250
+CH$NAME: Spumigin D
+CH$NAME: (2S)-N-(5-guanidino-1-hydroxypentan-2-yl)-1-((R)-2-((R)-2-hydroxy-3-(4-hydroxyphenyl)propanamido)-4-(4-hydroxyphenyl)butanoyl)pyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C30H42N6O7
+CH$EXACT_MASS: 598.3114977
+CH$SMILES: OC1=CC=C(C[C@@H](O)C(N[C@@H](C(N2[C@H](C(NC(CCCNC(N)=N)CO)=O)CCC2)=O)CCC3=CC=C(O)C=C3)=O)C=C1
+CH$IUPAC: InChI=1S/C30H42N6O7/c31-30(32)33-15-1-3-21(18-37)34-27(41)25-4-2-16-36(25)29(43)24(14-9-19-5-10-22(38)11-6-19)35-28(42)26(40)17-20-7-12-23(39)13-8-20/h5-8,10-13,21,24-26,37-40H,1-4,9,14-18H2,(H,34,41)(H,35,42)(H4,31,32,33)/t21?,24-,25+,26-/m1/s1
+CH$LINK: PUBCHEM CID:146684744
+CH$LINK: INCHIKEY KRNLOYZRJLTDBI-TUJAQADMSA-N
+CH$LINK: CHEMSPIDER 64868961
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 63-632
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.120 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 599.3188
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0002-0000090000-d5a676052e99f4a8797c
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  599.3183 C30H43N6O7+ 1 599.3188 -0.73
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  599.3183 2625196 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED125002.txt b/Eawag/MSBNK-EAWAG-ED125002.txt
new file mode 100644
index 0000000000..c467baf71d
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED125002.txt
@@ -0,0 +1,45 @@
+ACCESSION: MSBNK-EAWAG-ED125002
+RECORD_TITLE: Spumigin D; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1111/j.1365-2958.2009.06816.x
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1250
+CH$NAME: Spumigin D
+CH$NAME: (2S)-N-(5-guanidino-1-hydroxypentan-2-yl)-1-((R)-2-((R)-2-hydroxy-3-(4-hydroxyphenyl)propanamido)-4-(4-hydroxyphenyl)butanoyl)pyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C30H42N6O7
+CH$EXACT_MASS: 598.3114977
+CH$SMILES: OC1=CC=C(C[C@@H](O)C(N[C@@H](C(N2[C@H](C(NC(CCCNC(N)=N)CO)=O)CCC2)=O)CCC3=CC=C(O)C=C3)=O)C=C1
+CH$IUPAC: InChI=1S/C30H42N6O7/c31-30(32)33-15-1-3-21(18-37)34-27(41)25-4-2-16-36(25)29(43)24(14-9-19-5-10-22(38)11-6-19)35-28(42)26(40)17-20-7-12-23(39)13-8-20/h5-8,10-13,21,24-26,37-40H,1-4,9,14-18H2,(H,34,41)(H,35,42)(H4,31,32,33)/t21?,24-,25+,26-/m1/s1
+CH$LINK: PUBCHEM CID:146684744
+CH$LINK: INCHIKEY KRNLOYZRJLTDBI-TUJAQADMSA-N
+CH$LINK: CHEMSPIDER 64868961
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 63-632
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.120 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 599.3188
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0002-0000090000-33da647c2f15cc29fa60
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  599.3188 C30H43N6O7+ 1 599.3188 0.09
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  599.3188 2324436.8 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED125003.txt b/Eawag/MSBNK-EAWAG-ED125003.txt
new file mode 100644
index 0000000000..e6756a76c2
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED125003.txt
@@ -0,0 +1,47 @@
+ACCESSION: MSBNK-EAWAG-ED125003
+RECORD_TITLE: Spumigin D; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1111/j.1365-2958.2009.06816.x
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1250
+CH$NAME: Spumigin D
+CH$NAME: (2S)-N-(5-guanidino-1-hydroxypentan-2-yl)-1-((R)-2-((R)-2-hydroxy-3-(4-hydroxyphenyl)propanamido)-4-(4-hydroxyphenyl)butanoyl)pyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C30H42N6O7
+CH$EXACT_MASS: 598.3114977
+CH$SMILES: OC1=CC=C(C[C@@H](O)C(N[C@@H](C(N2[C@H](C(NC(CCCNC(N)=N)CO)=O)CCC2)=O)CCC3=CC=C(O)C=C3)=O)C=C1
+CH$IUPAC: InChI=1S/C30H42N6O7/c31-30(32)33-15-1-3-21(18-37)34-27(41)25-4-2-16-36(25)29(43)24(14-9-19-5-10-22(38)11-6-19)35-28(42)26(40)17-20-7-12-23(39)13-8-20/h5-8,10-13,21,24-26,37-40H,1-4,9,14-18H2,(H,34,41)(H,35,42)(H4,31,32,33)/t21?,24-,25+,26-/m1/s1
+CH$LINK: PUBCHEM CID:146684744
+CH$LINK: INCHIKEY KRNLOYZRJLTDBI-TUJAQADMSA-N
+CH$LINK: CHEMSPIDER 64868961
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 63-632
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.120 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 599.3188
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0002-0000090000-e840438fe8460eb648c2
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  241.1658 C11H21N4O2+ 1 241.1659 -0.48
+  599.3189 C30H43N6O7+ 1 599.3188 0.19
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  241.1658 99948.6 44
+  599.3189 2225269.8 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED125004.txt b/Eawag/MSBNK-EAWAG-ED125004.txt
new file mode 100644
index 0000000000..f4b4d5e6be
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED125004.txt
@@ -0,0 +1,51 @@
+ACCESSION: MSBNK-EAWAG-ED125004
+RECORD_TITLE: Spumigin D; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1111/j.1365-2958.2009.06816.x
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1250
+CH$NAME: Spumigin D
+CH$NAME: (2S)-N-(5-guanidino-1-hydroxypentan-2-yl)-1-((R)-2-((R)-2-hydroxy-3-(4-hydroxyphenyl)propanamido)-4-(4-hydroxyphenyl)butanoyl)pyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C30H42N6O7
+CH$EXACT_MASS: 598.3114977
+CH$SMILES: OC1=CC=C(C[C@@H](O)C(N[C@@H](C(N2[C@H](C(NC(CCCNC(N)=N)CO)=O)CCC2)=O)CCC3=CC=C(O)C=C3)=O)C=C1
+CH$IUPAC: InChI=1S/C30H42N6O7/c31-30(32)33-15-1-3-21(18-37)34-27(41)25-4-2-16-36(25)29(43)24(14-9-19-5-10-22(38)11-6-19)35-28(42)26(40)17-20-7-12-23(39)13-8-20/h5-8,10-13,21,24-26,37-40H,1-4,9,14-18H2,(H,34,41)(H,35,42)(H4,31,32,33)/t21?,24-,25+,26-/m1/s1
+CH$LINK: PUBCHEM CID:146684744
+CH$LINK: INCHIKEY KRNLOYZRJLTDBI-TUJAQADMSA-N
+CH$LINK: CHEMSPIDER 64868961
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 63-632
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.120 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 599.3188
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0002-0020090000-f2dad4ce98ba1feb37e3
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  140.0819 C6H10N3O+ 1 140.0818 0.18
+  182.0807 C9H12NO3+ 2 182.0812 -2.67
+  241.1659 C11H21N4O2+ 1 241.1659 0.03
+  599.3191 C30H43N6O7+ 1 599.3188 0.5
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  140.0819 28700.8 19
+  182.0807 18674 12
+  241.1659 325219.1 225
+  599.3191 1437744.4 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED125005.txt b/Eawag/MSBNK-EAWAG-ED125005.txt
new file mode 100644
index 0000000000..39e0a2155d
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED125005.txt
@@ -0,0 +1,73 @@
+ACCESSION: MSBNK-EAWAG-ED125005
+RECORD_TITLE: Spumigin D; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1111/j.1365-2958.2009.06816.x
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1250
+CH$NAME: Spumigin D
+CH$NAME: (2S)-N-(5-guanidino-1-hydroxypentan-2-yl)-1-((R)-2-((R)-2-hydroxy-3-(4-hydroxyphenyl)propanamido)-4-(4-hydroxyphenyl)butanoyl)pyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C30H42N6O7
+CH$EXACT_MASS: 598.3114977
+CH$SMILES: OC1=CC=C(C[C@@H](O)C(N[C@@H](C(N2[C@H](C(NC(CCCNC(N)=N)CO)=O)CCC2)=O)CCC3=CC=C(O)C=C3)=O)C=C1
+CH$IUPAC: InChI=1S/C30H42N6O7/c31-30(32)33-15-1-3-21(18-37)34-27(41)25-4-2-16-36(25)29(43)24(14-9-19-5-10-22(38)11-6-19)35-28(42)26(40)17-20-7-12-23(39)13-8-20/h5-8,10-13,21,24-26,37-40H,1-4,9,14-18H2,(H,34,41)(H,35,42)(H4,31,32,33)/t21?,24-,25+,26-/m1/s1
+CH$LINK: PUBCHEM CID:146684744
+CH$LINK: INCHIKEY KRNLOYZRJLTDBI-TUJAQADMSA-N
+CH$LINK: CHEMSPIDER 64868961
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 63-632
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.120 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 599.3188
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0596-3980020000-6a8ce358dfd7163237d7
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  70.0651 C4H8N+ 1 70.0651 0.15
+  102.0914 C5H12NO+ 1 102.0913 0.29
+  107.0491 C7H7O+ 1 107.0491 -0.52
+  126.1024 C6H12N3+ 1 126.1026 -1.11
+  133.0647 C9H9O+ 1 133.0648 -0.68
+  140.0819 C6H10N3O+ 1 140.0818 0.51
+  144.1128 C6H14N3O+ 1 144.1131 -2.18
+  150.0913 C9H12NO+ 1 150.0913 -0.23
+  155.0815 C7H11N2O2+ 1 155.0815 0.1
+  182.0813 C9H12NO3+ 1 182.0812 0.94
+  208.0968 C11H14NO3+ 1 208.0968 0.08
+  216.1709 C10H22N3O2+ 2 216.1707 1.28
+  241.1661 C11H21N4O2+ 2 241.1659 0.91
+  258.1922 C11H24N5O2+ 2 258.1925 -0.82
+  599.3196 C30H43N6O7+ 1 599.3188 1.41
+PK$NUM_PEAK: 15
+PK$PEAK: m/z int. rel.int.
+  70.0651 256514.5 818
+  102.0914 92841.7 296
+  107.0491 65745.7 209
+  126.1024 19956.8 63
+  133.0647 52567.5 167
+  140.0819 93071.9 296
+  144.1128 87296.9 278
+  150.0913 17993.7 57
+  155.0815 70196.4 223
+  182.0813 91561.2 292
+  208.0968 141157.2 450
+  216.1709 43092.6 137
+  241.1661 313234 999
+  258.1922 55361 176
+  599.3196 175834.4 560
+//
diff --git a/Eawag/MSBNK-EAWAG-ED125006.txt b/Eawag/MSBNK-EAWAG-ED125006.txt
new file mode 100644
index 0000000000..d9bdc1b93a
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED125006.txt
@@ -0,0 +1,65 @@
+ACCESSION: MSBNK-EAWAG-ED125006
+RECORD_TITLE: Spumigin D; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1111/j.1365-2958.2009.06816.x
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1250
+CH$NAME: Spumigin D
+CH$NAME: (2S)-N-(5-guanidino-1-hydroxypentan-2-yl)-1-((R)-2-((R)-2-hydroxy-3-(4-hydroxyphenyl)propanamido)-4-(4-hydroxyphenyl)butanoyl)pyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C30H42N6O7
+CH$EXACT_MASS: 598.3114977
+CH$SMILES: OC1=CC=C(C[C@@H](O)C(N[C@@H](C(N2[C@H](C(NC(CCCNC(N)=N)CO)=O)CCC2)=O)CCC3=CC=C(O)C=C3)=O)C=C1
+CH$IUPAC: InChI=1S/C30H42N6O7/c31-30(32)33-15-1-3-21(18-37)34-27(41)25-4-2-16-36(25)29(43)24(14-9-19-5-10-22(38)11-6-19)35-28(42)26(40)17-20-7-12-23(39)13-8-20/h5-8,10-13,21,24-26,37-40H,1-4,9,14-18H2,(H,34,41)(H,35,42)(H4,31,32,33)/t21?,24-,25+,26-/m1/s1
+CH$LINK: PUBCHEM CID:146684744
+CH$LINK: INCHIKEY KRNLOYZRJLTDBI-TUJAQADMSA-N
+CH$LINK: CHEMSPIDER 64868961
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 63-632
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.120 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 599.3188
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-05fr-6910000000-6e3ab7d82ccb340ae656
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  70.0651 C4H8N+ 1 70.0651 -0.18
+  84.0809 C5H10N+ 1 84.0808 1.48
+  102.0914 C5H12NO+ 1 102.0913 0.15
+  107.0492 C7H7O+ 1 107.0491 0.12
+  133.0646 C9H9O+ 1 133.0648 -1.6
+  140.0816 C6H10N3O+ 1 140.0818 -1.67
+  144.113 C6H14N3O+ 1 144.1131 -0.7
+  155.0815 C7H11N2O2+ 1 155.0815 0.19
+  164.0709 C9H10NO2+ 1 164.0706 1.92
+  182.0811 C9H12NO3+ 1 182.0812 -0.57
+  208.0969 C11H14NO3+ 1 208.0968 0.52
+PK$NUM_PEAK: 11
+PK$PEAK: m/z int. rel.int.
+  70.0651 409354.5 999
+  84.0809 41214.8 100
+  102.0914 88269.4 215
+  107.0492 202533.4 494
+  133.0646 85842.8 209
+  140.0816 62283.5 151
+  144.113 106192.3 259
+  155.0815 39443.3 96
+  164.0709 21402 52
+  182.0811 37483.6 91
+  208.0969 84486 206
+//
diff --git a/Eawag/MSBNK-EAWAG-ED125007.txt b/Eawag/MSBNK-EAWAG-ED125007.txt
new file mode 100644
index 0000000000..fdeae30b84
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED125007.txt
@@ -0,0 +1,55 @@
+ACCESSION: MSBNK-EAWAG-ED125007
+RECORD_TITLE: Spumigin D; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1111/j.1365-2958.2009.06816.x
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1250
+CH$NAME: Spumigin D
+CH$NAME: (2S)-N-(5-guanidino-1-hydroxypentan-2-yl)-1-((R)-2-((R)-2-hydroxy-3-(4-hydroxyphenyl)propanamido)-4-(4-hydroxyphenyl)butanoyl)pyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C30H42N6O7
+CH$EXACT_MASS: 598.3114977
+CH$SMILES: OC1=CC=C(C[C@@H](O)C(N[C@@H](C(N2[C@H](C(NC(CCCNC(N)=N)CO)=O)CCC2)=O)CCC3=CC=C(O)C=C3)=O)C=C1
+CH$IUPAC: InChI=1S/C30H42N6O7/c31-30(32)33-15-1-3-21(18-37)34-27(41)25-4-2-16-36(25)29(43)24(14-9-19-5-10-22(38)11-6-19)35-28(42)26(40)17-20-7-12-23(39)13-8-20/h5-8,10-13,21,24-26,37-40H,1-4,9,14-18H2,(H,34,41)(H,35,42)(H4,31,32,33)/t21?,24-,25+,26-/m1/s1
+CH$LINK: PUBCHEM CID:146684744
+CH$LINK: INCHIKEY KRNLOYZRJLTDBI-TUJAQADMSA-N
+CH$LINK: CHEMSPIDER 64868961
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 63-632
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.120 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 599.3188
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-05fr-8900000000-3a20f20ac303d4e59ba1
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  70.0651 C4H8N+ 1 70.0651 -0.07
+  84.0808 C5H10N+ 1 84.0808 -0.15
+  102.0913 C5H12NO+ 1 102.0913 -0.23
+  107.0491 C7H7O+ 1 107.0491 -0.66
+  133.0645 C9H9O+ 1 133.0648 -2.29
+  144.1129 C6H14N3O+ 1 144.1131 -1.55
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  70.0651 478834.8 999
+  84.0808 54519.8 113
+  102.0913 96411.3 201
+  107.0491 352840.2 736
+  133.0645 67779.6 141
+  144.1129 69902 145
+//
diff --git a/Eawag/MSBNK-EAWAG-ED125008.txt b/Eawag/MSBNK-EAWAG-ED125008.txt
new file mode 100644
index 0000000000..78256a2cee
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED125008.txt
@@ -0,0 +1,53 @@
+ACCESSION: MSBNK-EAWAG-ED125008
+RECORD_TITLE: Spumigin D; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1111/j.1365-2958.2009.06816.x
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1250
+CH$NAME: Spumigin D
+CH$NAME: (2S)-N-(5-guanidino-1-hydroxypentan-2-yl)-1-((R)-2-((R)-2-hydroxy-3-(4-hydroxyphenyl)propanamido)-4-(4-hydroxyphenyl)butanoyl)pyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C30H42N6O7
+CH$EXACT_MASS: 598.3114977
+CH$SMILES: OC1=CC=C(C[C@@H](O)C(N[C@@H](C(N2[C@H](C(NC(CCCNC(N)=N)CO)=O)CCC2)=O)CCC3=CC=C(O)C=C3)=O)C=C1
+CH$IUPAC: InChI=1S/C30H42N6O7/c31-30(32)33-15-1-3-21(18-37)34-27(41)25-4-2-16-36(25)29(43)24(14-9-19-5-10-22(38)11-6-19)35-28(42)26(40)17-20-7-12-23(39)13-8-20/h5-8,10-13,21,24-26,37-40H,1-4,9,14-18H2,(H,34,41)(H,35,42)(H4,31,32,33)/t21?,24-,25+,26-/m1/s1
+CH$LINK: PUBCHEM CID:146684744
+CH$LINK: INCHIKEY KRNLOYZRJLTDBI-TUJAQADMSA-N
+CH$LINK: CHEMSPIDER 64868961
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 63-632
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.120 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 599.3188
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-05fr-8900000000-70b47648f8b98ea5a9a4
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  70.0651 C4H8N+ 1 70.0651 -0.07
+  84.0808 C5H10N+ 1 84.0808 0.85
+  107.0491 C7H7O+ 1 107.0491 -0.38
+  133.0652 C9H9O+ 1 133.0648 2.87
+  144.1131 C6H14N3O+ 1 144.1131 -0.38
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  70.0651 450649.4 999
+  84.0808 51563.5 114
+  107.0491 416163.3 922
+  133.0652 59982.5 132
+  144.1131 29636.6 65
+//
diff --git a/Eawag/MSBNK-EAWAG-ED125009.txt b/Eawag/MSBNK-EAWAG-ED125009.txt
new file mode 100644
index 0000000000..c134b1cc77
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED125009.txt
@@ -0,0 +1,55 @@
+ACCESSION: MSBNK-EAWAG-ED125009
+RECORD_TITLE: Spumigin D; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1111/j.1365-2958.2009.06816.x
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1250
+CH$NAME: Spumigin D
+CH$NAME: (2S)-N-(5-guanidino-1-hydroxypentan-2-yl)-1-((R)-2-((R)-2-hydroxy-3-(4-hydroxyphenyl)propanamido)-4-(4-hydroxyphenyl)butanoyl)pyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C30H42N6O7
+CH$EXACT_MASS: 598.3114977
+CH$SMILES: OC1=CC=C(C[C@@H](O)C(N[C@@H](C(N2[C@H](C(NC(CCCNC(N)=N)CO)=O)CCC2)=O)CCC3=CC=C(O)C=C3)=O)C=C1
+CH$IUPAC: InChI=1S/C30H42N6O7/c31-30(32)33-15-1-3-21(18-37)34-27(41)25-4-2-16-36(25)29(43)24(14-9-19-5-10-22(38)11-6-19)35-28(42)26(40)17-20-7-12-23(39)13-8-20/h5-8,10-13,21,24-26,37-40H,1-4,9,14-18H2,(H,34,41)(H,35,42)(H4,31,32,33)/t21?,24-,25+,26-/m1/s1
+CH$LINK: PUBCHEM CID:146684744
+CH$LINK: INCHIKEY KRNLOYZRJLTDBI-TUJAQADMSA-N
+CH$LINK: CHEMSPIDER 64868961
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 63-632
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.120 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 599.3188
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0ab9-8900000000-20c113c210e35c456cce
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  70.0651 C4H8N+ 1 70.0651 -0.4
+  84.0808 C5H10N+ 1 84.0808 0.57
+  91.0544 C7H7+ 1 91.0542 1.42
+  102.0911 C5H12NO+ 1 102.0913 -2.17
+  107.049 C7H7O+ 1 107.0491 -0.88
+  133.0645 C9H9O+ 1 133.0648 -2.06
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  70.0651 479590.3 950
+  84.0808 67300.2 133
+  91.0544 27345.2 54
+  102.0911 59419.6 117
+  107.049 503818.1 999
+  133.0645 52649.8 104
+//
diff --git a/Eawag/MSBNK-EAWAG-ED125101.txt b/Eawag/MSBNK-EAWAG-ED125101.txt
new file mode 100644
index 0000000000..ea4b9d0921
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED125101.txt
@@ -0,0 +1,45 @@
+ACCESSION: MSBNK-EAWAG-ED125101
+RECORD_TITLE: Dihydrospumigin M (and isomers); LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], F. Rios Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.toxicon.2015.09.019
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 1251
+CH$NAME: Dihydrospumigin M (and isomers)
+CH$NAME: (2S)-N-((R)-5-guanidino-1-hydroxypentan-2-yl)-1-((2-hydroxy-4-(4-hydroxyphenyl)butanoyl)-D-tyrosyl)pyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C30H42N6O7
+CH$EXACT_MASS: 598.3114977
+CH$SMILES: OC1=CC=C(CCC(O)C(N[C@H](CC2=CC=C(O)C=C2)C(N3[C@H](C(N[C@H](CCCNC(N)=N)CO)=O)CCC3)=O)=O)C=C1
+CH$IUPAC: InChI=1S/C30H42N6O7/c31-30(32)33-15-1-3-21(18-37)34-27(41)25-4-2-16-36(25)29(43)24(17-20-7-12-23(39)13-8-20)35-28(42)26(40)14-9-19-5-10-22(38)11-6-19/h5-8,10-13,21,24-26,37-40H,1-4,9,14-18H2,(H,34,41)(H,35,42)(H4,31,32,33)/t21-,24-,25+,26?/m1/s1
+CH$LINK: PUBCHEM CID:139589789
+CH$LINK: INCHIKEY WKADCTRDFMBYPU-LXRNPWNFSA-N
+CH$LINK: CHEMSPIDER 78439002
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 63-632
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.122 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 599.3188
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0002-0000090000-bae9513f618e37ac0554
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  599.3179 C30H43N6O7+ 1 599.3188 -1.52
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  599.3179 1111831 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED125102.txt b/Eawag/MSBNK-EAWAG-ED125102.txt
new file mode 100644
index 0000000000..9a5671f8c9
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED125102.txt
@@ -0,0 +1,45 @@
+ACCESSION: MSBNK-EAWAG-ED125102
+RECORD_TITLE: Dihydrospumigin M (and isomers); LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], F. Rios Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.toxicon.2015.09.019
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 1251
+CH$NAME: Dihydrospumigin M (and isomers)
+CH$NAME: (2S)-N-((R)-5-guanidino-1-hydroxypentan-2-yl)-1-((2-hydroxy-4-(4-hydroxyphenyl)butanoyl)-D-tyrosyl)pyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C30H42N6O7
+CH$EXACT_MASS: 598.3114977
+CH$SMILES: OC1=CC=C(CCC(O)C(N[C@H](CC2=CC=C(O)C=C2)C(N3[C@H](C(N[C@H](CCCNC(N)=N)CO)=O)CCC3)=O)=O)C=C1
+CH$IUPAC: InChI=1S/C30H42N6O7/c31-30(32)33-15-1-3-21(18-37)34-27(41)25-4-2-16-36(25)29(43)24(17-20-7-12-23(39)13-8-20)35-28(42)26(40)14-9-19-5-10-22(38)11-6-19/h5-8,10-13,21,24-26,37-40H,1-4,9,14-18H2,(H,34,41)(H,35,42)(H4,31,32,33)/t21-,24-,25+,26?/m1/s1
+CH$LINK: PUBCHEM CID:139589789
+CH$LINK: INCHIKEY WKADCTRDFMBYPU-LXRNPWNFSA-N
+CH$LINK: CHEMSPIDER 78439002
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 63-632
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.122 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 599.3188
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0002-0000090000-927993796fbc01f00d0b
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  599.3186 C30H43N6O7+ 1 599.3188 -0.29
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  599.3186 1071330.2 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED125103.txt b/Eawag/MSBNK-EAWAG-ED125103.txt
new file mode 100644
index 0000000000..17855e90f8
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED125103.txt
@@ -0,0 +1,47 @@
+ACCESSION: MSBNK-EAWAG-ED125103
+RECORD_TITLE: Dihydrospumigin M (and isomers); LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], F. Rios Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.toxicon.2015.09.019
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 1251
+CH$NAME: Dihydrospumigin M (and isomers)
+CH$NAME: (2S)-N-((R)-5-guanidino-1-hydroxypentan-2-yl)-1-((2-hydroxy-4-(4-hydroxyphenyl)butanoyl)-D-tyrosyl)pyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C30H42N6O7
+CH$EXACT_MASS: 598.3114977
+CH$SMILES: OC1=CC=C(CCC(O)C(N[C@H](CC2=CC=C(O)C=C2)C(N3[C@H](C(N[C@H](CCCNC(N)=N)CO)=O)CCC3)=O)=O)C=C1
+CH$IUPAC: InChI=1S/C30H42N6O7/c31-30(32)33-15-1-3-21(18-37)34-27(41)25-4-2-16-36(25)29(43)24(17-20-7-12-23(39)13-8-20)35-28(42)26(40)14-9-19-5-10-22(38)11-6-19/h5-8,10-13,21,24-26,37-40H,1-4,9,14-18H2,(H,34,41)(H,35,42)(H4,31,32,33)/t21-,24-,25+,26?/m1/s1
+CH$LINK: PUBCHEM CID:139589789
+CH$LINK: INCHIKEY WKADCTRDFMBYPU-LXRNPWNFSA-N
+CH$LINK: CHEMSPIDER 78439002
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 63-632
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.122 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 599.3188
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0002-0000090000-3a4b2f59012b28455aad
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  241.1653 C11H21N4O2+ 2 241.1659 -2.6
+  599.319 C30H43N6O7+ 1 599.3188 0.42
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  241.1653 49938.6 54
+  599.319 918923.4 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED125104.txt b/Eawag/MSBNK-EAWAG-ED125104.txt
new file mode 100644
index 0000000000..38b4efa899
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED125104.txt
@@ -0,0 +1,47 @@
+ACCESSION: MSBNK-EAWAG-ED125104
+RECORD_TITLE: Dihydrospumigin M (and isomers); LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], F. Rios Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.toxicon.2015.09.019
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 1251
+CH$NAME: Dihydrospumigin M (and isomers)
+CH$NAME: (2S)-N-((R)-5-guanidino-1-hydroxypentan-2-yl)-1-((2-hydroxy-4-(4-hydroxyphenyl)butanoyl)-D-tyrosyl)pyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C30H42N6O7
+CH$EXACT_MASS: 598.3114977
+CH$SMILES: OC1=CC=C(CCC(O)C(N[C@H](CC2=CC=C(O)C=C2)C(N3[C@H](C(N[C@H](CCCNC(N)=N)CO)=O)CCC3)=O)=O)C=C1
+CH$IUPAC: InChI=1S/C30H42N6O7/c31-30(32)33-15-1-3-21(18-37)34-27(41)25-4-2-16-36(25)29(43)24(17-20-7-12-23(39)13-8-20)35-28(42)26(40)14-9-19-5-10-22(38)11-6-19/h5-8,10-13,21,24-26,37-40H,1-4,9,14-18H2,(H,34,41)(H,35,42)(H4,31,32,33)/t21-,24-,25+,26?/m1/s1
+CH$LINK: PUBCHEM CID:139589789
+CH$LINK: INCHIKEY WKADCTRDFMBYPU-LXRNPWNFSA-N
+CH$LINK: CHEMSPIDER 78439002
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 63-632
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.122 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 599.3188
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0002-0010090000-00814e82f1f7311a3c5d
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  241.1653 C11H21N4O2+ 2 241.1659 -2.6
+  599.3191 C30H43N6O7+ 1 599.3188 0.52
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  241.1653 127137.3 211
+  599.3191 599120.6 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED125105.txt b/Eawag/MSBNK-EAWAG-ED125105.txt
new file mode 100644
index 0000000000..836eb2ab8b
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED125105.txt
@@ -0,0 +1,55 @@
+ACCESSION: MSBNK-EAWAG-ED125105
+RECORD_TITLE: Dihydrospumigin M (and isomers); LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], F. Rios Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.toxicon.2015.09.019
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 1251
+CH$NAME: Dihydrospumigin M (and isomers)
+CH$NAME: (2S)-N-((R)-5-guanidino-1-hydroxypentan-2-yl)-1-((2-hydroxy-4-(4-hydroxyphenyl)butanoyl)-D-tyrosyl)pyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C30H42N6O7
+CH$EXACT_MASS: 598.3114977
+CH$SMILES: OC1=CC=C(CCC(O)C(N[C@H](CC2=CC=C(O)C=C2)C(N3[C@H](C(N[C@H](CCCNC(N)=N)CO)=O)CCC3)=O)=O)C=C1
+CH$IUPAC: InChI=1S/C30H42N6O7/c31-30(32)33-15-1-3-21(18-37)34-27(41)25-4-2-16-36(25)29(43)24(17-20-7-12-23(39)13-8-20)35-28(42)26(40)14-9-19-5-10-22(38)11-6-19/h5-8,10-13,21,24-26,37-40H,1-4,9,14-18H2,(H,34,41)(H,35,42)(H4,31,32,33)/t21-,24-,25+,26?/m1/s1
+CH$LINK: PUBCHEM CID:139589789
+CH$LINK: INCHIKEY WKADCTRDFMBYPU-LXRNPWNFSA-N
+CH$LINK: CHEMSPIDER 78439002
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 63-632
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.122 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 599.3188
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0076-5940000000-2c0bd36dc59bc1353cac
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  70.0651 C4H8N+ 1 70.0651 -0.07
+  136.0755 C8H10NO+ 1 136.0757 -1.7
+  140.0817 C6H10N3O+ 1 140.0818 -0.74
+  144.1131 C6H14N3O+ 1 144.1131 -0.53
+  155.0816 C7H11N2O2+ 1 155.0815 0.62
+  241.1653 C11H21N4O2+ 2 241.1659 -2.54
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  70.0651 148665.4 999
+  136.0755 116425.9 782
+  140.0817 40221.4 270
+  144.1131 41033.6 275
+  155.0816 31817.8 213
+  241.1653 109891.6 738
+//
diff --git a/Eawag/MSBNK-EAWAG-ED125106.txt b/Eawag/MSBNK-EAWAG-ED125106.txt
new file mode 100644
index 0000000000..2a6fbe3961
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED125106.txt
@@ -0,0 +1,51 @@
+ACCESSION: MSBNK-EAWAG-ED125106
+RECORD_TITLE: Dihydrospumigin M (and isomers); LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], F. Rios Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.toxicon.2015.09.019
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 1251
+CH$NAME: Dihydrospumigin M (and isomers)
+CH$NAME: (2S)-N-((R)-5-guanidino-1-hydroxypentan-2-yl)-1-((2-hydroxy-4-(4-hydroxyphenyl)butanoyl)-D-tyrosyl)pyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C30H42N6O7
+CH$EXACT_MASS: 598.3114977
+CH$SMILES: OC1=CC=C(CCC(O)C(N[C@H](CC2=CC=C(O)C=C2)C(N3[C@H](C(N[C@H](CCCNC(N)=N)CO)=O)CCC3)=O)=O)C=C1
+CH$IUPAC: InChI=1S/C30H42N6O7/c31-30(32)33-15-1-3-21(18-37)34-27(41)25-4-2-16-36(25)29(43)24(17-20-7-12-23(39)13-8-20)35-28(42)26(40)14-9-19-5-10-22(38)11-6-19/h5-8,10-13,21,24-26,37-40H,1-4,9,14-18H2,(H,34,41)(H,35,42)(H4,31,32,33)/t21-,24-,25+,26?/m1/s1
+CH$LINK: PUBCHEM CID:139589789
+CH$LINK: INCHIKEY WKADCTRDFMBYPU-LXRNPWNFSA-N
+CH$LINK: CHEMSPIDER 78439002
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 63-632
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.122 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 599.3188
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0079-5900000000-cc37064ccc615a55b74a
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  70.0651 C4H8N+ 1 70.0651 -0.83
+  102.0914 C5H12NO+ 1 102.0913 0.23
+  136.0755 C8H10NO+ 1 136.0757 -1.7
+  144.1128 C6H14N3O+ 1 144.1131 -2.22
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  70.0651 217299.7 771
+  102.0914 48106.6 170
+  136.0755 281503.4 999
+  144.1128 54019.6 191
+//
diff --git a/Eawag/MSBNK-EAWAG-ED125107.txt b/Eawag/MSBNK-EAWAG-ED125107.txt
new file mode 100644
index 0000000000..5e8d1c03f6
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED125107.txt
@@ -0,0 +1,53 @@
+ACCESSION: MSBNK-EAWAG-ED125107
+RECORD_TITLE: Dihydrospumigin M (and isomers); LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], F. Rios Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.toxicon.2015.09.019
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 1251
+CH$NAME: Dihydrospumigin M (and isomers)
+CH$NAME: (2S)-N-((R)-5-guanidino-1-hydroxypentan-2-yl)-1-((2-hydroxy-4-(4-hydroxyphenyl)butanoyl)-D-tyrosyl)pyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C30H42N6O7
+CH$EXACT_MASS: 598.3114977
+CH$SMILES: OC1=CC=C(CCC(O)C(N[C@H](CC2=CC=C(O)C=C2)C(N3[C@H](C(N[C@H](CCCNC(N)=N)CO)=O)CCC3)=O)=O)C=C1
+CH$IUPAC: InChI=1S/C30H42N6O7/c31-30(32)33-15-1-3-21(18-37)34-27(41)25-4-2-16-36(25)29(43)24(17-20-7-12-23(39)13-8-20)35-28(42)26(40)14-9-19-5-10-22(38)11-6-19/h5-8,10-13,21,24-26,37-40H,1-4,9,14-18H2,(H,34,41)(H,35,42)(H4,31,32,33)/t21-,24-,25+,26?/m1/s1
+CH$LINK: PUBCHEM CID:139589789
+CH$LINK: INCHIKEY WKADCTRDFMBYPU-LXRNPWNFSA-N
+CH$LINK: CHEMSPIDER 78439002
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 63-632
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.122 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 599.3188
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0079-7900000000-73fb76f483a752e91a5b
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  70.065 C4H8N+ 1 70.0651 -1.26
+  91.0543 C7H7+ 1 91.0542 1.22
+  102.0914 C5H12NO+ 1 102.0913 0.6
+  107.0492 C7H7O+ 1 107.0491 0.42
+  136.0755 C8H10NO+ 1 136.0757 -1.7
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  70.065 263239.1 863
+  91.0543 27948.3 91
+  102.0914 42693 140
+  107.0492 20323.8 66
+  136.0755 304561 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED125108.txt b/Eawag/MSBNK-EAWAG-ED125108.txt
new file mode 100644
index 0000000000..989ce8df7d
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED125108.txt
@@ -0,0 +1,53 @@
+ACCESSION: MSBNK-EAWAG-ED125108
+RECORD_TITLE: Dihydrospumigin M (and isomers); LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], F. Rios Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.toxicon.2015.09.019
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 1251
+CH$NAME: Dihydrospumigin M (and isomers)
+CH$NAME: (2S)-N-((R)-5-guanidino-1-hydroxypentan-2-yl)-1-((2-hydroxy-4-(4-hydroxyphenyl)butanoyl)-D-tyrosyl)pyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C30H42N6O7
+CH$EXACT_MASS: 598.3114977
+CH$SMILES: OC1=CC=C(CCC(O)C(N[C@H](CC2=CC=C(O)C=C2)C(N3[C@H](C(N[C@H](CCCNC(N)=N)CO)=O)CCC3)=O)=O)C=C1
+CH$IUPAC: InChI=1S/C30H42N6O7/c31-30(32)33-15-1-3-21(18-37)34-27(41)25-4-2-16-36(25)29(43)24(17-20-7-12-23(39)13-8-20)35-28(42)26(40)14-9-19-5-10-22(38)11-6-19/h5-8,10-13,21,24-26,37-40H,1-4,9,14-18H2,(H,34,41)(H,35,42)(H4,31,32,33)/t21-,24-,25+,26?/m1/s1
+CH$LINK: PUBCHEM CID:139589789
+CH$LINK: INCHIKEY WKADCTRDFMBYPU-LXRNPWNFSA-N
+CH$LINK: CHEMSPIDER 78439002
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 63-632
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.122 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 599.3188
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0079-8900000000-b346902d0e5d642e7286
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  70.065 C4H8N+ 1 70.0651 -1.16
+  91.0542 C7H7+ 1 91.0542 -0.29
+  107.0491 C7H7O+ 1 107.0491 -0.01
+  119.0489 C8H7O+ 1 119.0491 -2.38
+  136.0755 C8H10NO+ 1 136.0757 -1.48
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  70.065 232236.2 960
+  91.0542 73611.3 304
+  107.0491 30976.4 128
+  119.0489 60998.9 252
+  136.0755 241427.3 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED125109.txt b/Eawag/MSBNK-EAWAG-ED125109.txt
new file mode 100644
index 0000000000..162874a02e
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED125109.txt
@@ -0,0 +1,55 @@
+ACCESSION: MSBNK-EAWAG-ED125109
+RECORD_TITLE: Dihydrospumigin M (and isomers); LC-ESI-QFT; MS2; CE: 80%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], F. Rios Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.toxicon.2015.09.019
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 1251
+CH$NAME: Dihydrospumigin M (and isomers)
+CH$NAME: (2S)-N-((R)-5-guanidino-1-hydroxypentan-2-yl)-1-((2-hydroxy-4-(4-hydroxyphenyl)butanoyl)-D-tyrosyl)pyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C30H42N6O7
+CH$EXACT_MASS: 598.3114977
+CH$SMILES: OC1=CC=C(CCC(O)C(N[C@H](CC2=CC=C(O)C=C2)C(N3[C@H](C(N[C@H](CCCNC(N)=N)CO)=O)CCC3)=O)=O)C=C1
+CH$IUPAC: InChI=1S/C30H42N6O7/c31-30(32)33-15-1-3-21(18-37)34-27(41)25-4-2-16-36(25)29(43)24(17-20-7-12-23(39)13-8-20)35-28(42)26(40)14-9-19-5-10-22(38)11-6-19/h5-8,10-13,21,24-26,37-40H,1-4,9,14-18H2,(H,34,41)(H,35,42)(H4,31,32,33)/t21-,24-,25+,26?/m1/s1
+CH$LINK: PUBCHEM CID:139589789
+CH$LINK: INCHIKEY WKADCTRDFMBYPU-LXRNPWNFSA-N
+CH$LINK: CHEMSPIDER 78439002
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 63-632
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.122 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 599.3188
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00du-9700000000-d5bf2adaedf6449e0ff9
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  70.0651 C4H8N+ 1 70.0651 -1.05
+  91.0541 C7H7+ 1 91.0542 -1.21
+  102.0914 C5H12NO+ 1 102.0913 0.53
+  107.0491 C7H7O+ 1 107.0491 0.06
+  119.049 C8H7O+ 1 119.0491 -1.49
+  136.0754 C8H10NO+ 1 136.0757 -2.04
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  70.0651 236807.4 999
+  91.0541 125603.2 529
+  102.0914 27810.7 117
+  107.0491 43369.7 182
+  119.049 79166.9 333
+  136.0754 155030.1 654
+//
diff --git a/Eawag/MSBNK-EAWAG-ED125201.txt b/Eawag/MSBNK-EAWAG-ED125201.txt
new file mode 100644
index 0000000000..9b3fed1c3c
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED125201.txt
@@ -0,0 +1,45 @@
+ACCESSION: MSBNK-EAWAG-ED125201
+RECORD_TITLE: Dihydrospumigin N (and isomers); LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], F. Rios Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1093/femsec/fiaa243
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 1252
+CH$NAME: Dihydrospumigin N (and isomers)
+CH$NAME: (2S)-N-((S)-5-guanidino-1-hydroxypentan-2-yl)-1-((2-hydroxy-4-(4-hydroxyphenyl)butanoyl)-D-tyrosyl)pyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C30H42N6O7
+CH$EXACT_MASS: 598.3114977
+CH$SMILES: OC1=CC=C(CCC(O)C(N[C@H](CC2=CC=C(O)C=C2)C(N3[C@H](C(N[C@@H](CCCNC(N)=N)CO)=O)CCC3)=O)=O)C=C1
+CH$IUPAC: InChI=1S/C30H42N6O7/c31-30(32)33-15-1-3-21(18-37)34-27(41)25-4-2-16-36(25)29(43)24(17-20-7-12-23(39)13-8-20)35-28(42)26(40)14-9-19-5-10-22(38)11-6-19/h5-8,10-13,21,24-26,37-40H,1-4,9,14-18H2,(H,34,41)(H,35,42)(H4,31,32,33)/t21-,24+,25-,26?/m0/s1
+CH$LINK: PUBCHEM CID:145974544
+CH$LINK: INCHIKEY WKADCTRDFMBYPU-FDHYGZKMSA-N
+CH$LINK: CHEMSPIDER 90658208
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 63-632
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.122 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 599.3188
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0002-0000090000-bae9513f618e37ac0554
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  599.3179 C30H43N6O7+ 1 599.3188 -1.52
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  599.3179 1111831 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED125202.txt b/Eawag/MSBNK-EAWAG-ED125202.txt
new file mode 100644
index 0000000000..b10afc71a3
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED125202.txt
@@ -0,0 +1,45 @@
+ACCESSION: MSBNK-EAWAG-ED125202
+RECORD_TITLE: Dihydrospumigin N (and isomers); LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], F. Rios Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1093/femsec/fiaa243
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 1252
+CH$NAME: Dihydrospumigin N (and isomers)
+CH$NAME: (2S)-N-((S)-5-guanidino-1-hydroxypentan-2-yl)-1-((2-hydroxy-4-(4-hydroxyphenyl)butanoyl)-D-tyrosyl)pyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C30H42N6O7
+CH$EXACT_MASS: 598.3114977
+CH$SMILES: OC1=CC=C(CCC(O)C(N[C@H](CC2=CC=C(O)C=C2)C(N3[C@H](C(N[C@@H](CCCNC(N)=N)CO)=O)CCC3)=O)=O)C=C1
+CH$IUPAC: InChI=1S/C30H42N6O7/c31-30(32)33-15-1-3-21(18-37)34-27(41)25-4-2-16-36(25)29(43)24(17-20-7-12-23(39)13-8-20)35-28(42)26(40)14-9-19-5-10-22(38)11-6-19/h5-8,10-13,21,24-26,37-40H,1-4,9,14-18H2,(H,34,41)(H,35,42)(H4,31,32,33)/t21-,24+,25-,26?/m0/s1
+CH$LINK: PUBCHEM CID:145974544
+CH$LINK: INCHIKEY WKADCTRDFMBYPU-FDHYGZKMSA-N
+CH$LINK: CHEMSPIDER 90658208
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 63-632
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.122 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 599.3188
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0002-0000090000-927993796fbc01f00d0b
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  599.3186 C30H43N6O7+ 1 599.3188 -0.29
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  599.3186 1071330.2 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED125203.txt b/Eawag/MSBNK-EAWAG-ED125203.txt
new file mode 100644
index 0000000000..14d4621ddc
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED125203.txt
@@ -0,0 +1,47 @@
+ACCESSION: MSBNK-EAWAG-ED125203
+RECORD_TITLE: Dihydrospumigin N (and isomers); LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], F. Rios Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1093/femsec/fiaa243
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 1252
+CH$NAME: Dihydrospumigin N (and isomers)
+CH$NAME: (2S)-N-((S)-5-guanidino-1-hydroxypentan-2-yl)-1-((2-hydroxy-4-(4-hydroxyphenyl)butanoyl)-D-tyrosyl)pyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C30H42N6O7
+CH$EXACT_MASS: 598.3114977
+CH$SMILES: OC1=CC=C(CCC(O)C(N[C@H](CC2=CC=C(O)C=C2)C(N3[C@H](C(N[C@@H](CCCNC(N)=N)CO)=O)CCC3)=O)=O)C=C1
+CH$IUPAC: InChI=1S/C30H42N6O7/c31-30(32)33-15-1-3-21(18-37)34-27(41)25-4-2-16-36(25)29(43)24(17-20-7-12-23(39)13-8-20)35-28(42)26(40)14-9-19-5-10-22(38)11-6-19/h5-8,10-13,21,24-26,37-40H,1-4,9,14-18H2,(H,34,41)(H,35,42)(H4,31,32,33)/t21-,24+,25-,26?/m0/s1
+CH$LINK: PUBCHEM CID:145974544
+CH$LINK: INCHIKEY WKADCTRDFMBYPU-FDHYGZKMSA-N
+CH$LINK: CHEMSPIDER 90658208
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 63-632
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.122 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 599.3188
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0002-0000090000-3a4b2f59012b28455aad
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  241.1653 C11H21N4O2+ 2 241.1659 -2.6
+  599.319 C30H43N6O7+ 1 599.3188 0.42
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  241.1653 49938.6 54
+  599.319 918923.4 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED125204.txt b/Eawag/MSBNK-EAWAG-ED125204.txt
new file mode 100644
index 0000000000..764f8e1980
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED125204.txt
@@ -0,0 +1,47 @@
+ACCESSION: MSBNK-EAWAG-ED125204
+RECORD_TITLE: Dihydrospumigin N (and isomers); LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], F. Rios Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1093/femsec/fiaa243
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 1252
+CH$NAME: Dihydrospumigin N (and isomers)
+CH$NAME: (2S)-N-((S)-5-guanidino-1-hydroxypentan-2-yl)-1-((2-hydroxy-4-(4-hydroxyphenyl)butanoyl)-D-tyrosyl)pyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C30H42N6O7
+CH$EXACT_MASS: 598.3114977
+CH$SMILES: OC1=CC=C(CCC(O)C(N[C@H](CC2=CC=C(O)C=C2)C(N3[C@H](C(N[C@@H](CCCNC(N)=N)CO)=O)CCC3)=O)=O)C=C1
+CH$IUPAC: InChI=1S/C30H42N6O7/c31-30(32)33-15-1-3-21(18-37)34-27(41)25-4-2-16-36(25)29(43)24(17-20-7-12-23(39)13-8-20)35-28(42)26(40)14-9-19-5-10-22(38)11-6-19/h5-8,10-13,21,24-26,37-40H,1-4,9,14-18H2,(H,34,41)(H,35,42)(H4,31,32,33)/t21-,24+,25-,26?/m0/s1
+CH$LINK: PUBCHEM CID:145974544
+CH$LINK: INCHIKEY WKADCTRDFMBYPU-FDHYGZKMSA-N
+CH$LINK: CHEMSPIDER 90658208
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 63-632
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.122 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 599.3188
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0002-0010090000-00814e82f1f7311a3c5d
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  241.1653 C11H21N4O2+ 2 241.1659 -2.6
+  599.3191 C30H43N6O7+ 1 599.3188 0.52
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  241.1653 127137.3 211
+  599.3191 599120.6 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED125205.txt b/Eawag/MSBNK-EAWAG-ED125205.txt
new file mode 100644
index 0000000000..7a580f08f3
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED125205.txt
@@ -0,0 +1,55 @@
+ACCESSION: MSBNK-EAWAG-ED125205
+RECORD_TITLE: Dihydrospumigin N (and isomers); LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], F. Rios Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1093/femsec/fiaa243
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 1252
+CH$NAME: Dihydrospumigin N (and isomers)
+CH$NAME: (2S)-N-((S)-5-guanidino-1-hydroxypentan-2-yl)-1-((2-hydroxy-4-(4-hydroxyphenyl)butanoyl)-D-tyrosyl)pyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C30H42N6O7
+CH$EXACT_MASS: 598.3114977
+CH$SMILES: OC1=CC=C(CCC(O)C(N[C@H](CC2=CC=C(O)C=C2)C(N3[C@H](C(N[C@@H](CCCNC(N)=N)CO)=O)CCC3)=O)=O)C=C1
+CH$IUPAC: InChI=1S/C30H42N6O7/c31-30(32)33-15-1-3-21(18-37)34-27(41)25-4-2-16-36(25)29(43)24(17-20-7-12-23(39)13-8-20)35-28(42)26(40)14-9-19-5-10-22(38)11-6-19/h5-8,10-13,21,24-26,37-40H,1-4,9,14-18H2,(H,34,41)(H,35,42)(H4,31,32,33)/t21-,24+,25-,26?/m0/s1
+CH$LINK: PUBCHEM CID:145974544
+CH$LINK: INCHIKEY WKADCTRDFMBYPU-FDHYGZKMSA-N
+CH$LINK: CHEMSPIDER 90658208
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 63-632
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.122 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 599.3188
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0076-5940000000-2c0bd36dc59bc1353cac
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  70.0651 C4H8N+ 1 70.0651 -0.07
+  136.0755 C8H10NO+ 1 136.0757 -1.7
+  140.0817 C6H10N3O+ 1 140.0818 -0.74
+  144.1131 C6H14N3O+ 1 144.1131 -0.53
+  155.0816 C7H11N2O2+ 1 155.0815 0.62
+  241.1653 C11H21N4O2+ 2 241.1659 -2.54
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  70.0651 148665.4 999
+  136.0755 116425.9 782
+  140.0817 40221.4 270
+  144.1131 41033.6 275
+  155.0816 31817.8 213
+  241.1653 109891.6 738
+//
diff --git a/Eawag/MSBNK-EAWAG-ED125206.txt b/Eawag/MSBNK-EAWAG-ED125206.txt
new file mode 100644
index 0000000000..764f3575eb
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED125206.txt
@@ -0,0 +1,51 @@
+ACCESSION: MSBNK-EAWAG-ED125206
+RECORD_TITLE: Dihydrospumigin N (and isomers); LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], F. Rios Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1093/femsec/fiaa243
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 1252
+CH$NAME: Dihydrospumigin N (and isomers)
+CH$NAME: (2S)-N-((S)-5-guanidino-1-hydroxypentan-2-yl)-1-((2-hydroxy-4-(4-hydroxyphenyl)butanoyl)-D-tyrosyl)pyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C30H42N6O7
+CH$EXACT_MASS: 598.3114977
+CH$SMILES: OC1=CC=C(CCC(O)C(N[C@H](CC2=CC=C(O)C=C2)C(N3[C@H](C(N[C@@H](CCCNC(N)=N)CO)=O)CCC3)=O)=O)C=C1
+CH$IUPAC: InChI=1S/C30H42N6O7/c31-30(32)33-15-1-3-21(18-37)34-27(41)25-4-2-16-36(25)29(43)24(17-20-7-12-23(39)13-8-20)35-28(42)26(40)14-9-19-5-10-22(38)11-6-19/h5-8,10-13,21,24-26,37-40H,1-4,9,14-18H2,(H,34,41)(H,35,42)(H4,31,32,33)/t21-,24+,25-,26?/m0/s1
+CH$LINK: PUBCHEM CID:145974544
+CH$LINK: INCHIKEY WKADCTRDFMBYPU-FDHYGZKMSA-N
+CH$LINK: CHEMSPIDER 90658208
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 63-632
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.122 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 599.3188
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0079-5900000000-cc37064ccc615a55b74a
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  70.0651 C4H8N+ 1 70.0651 -0.83
+  102.0914 C5H12NO+ 1 102.0913 0.23
+  136.0755 C8H10NO+ 1 136.0757 -1.7
+  144.1128 C6H14N3O+ 1 144.1131 -2.22
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  70.0651 217299.7 771
+  102.0914 48106.6 170
+  136.0755 281503.4 999
+  144.1128 54019.6 191
+//
diff --git a/Eawag/MSBNK-EAWAG-ED125207.txt b/Eawag/MSBNK-EAWAG-ED125207.txt
new file mode 100644
index 0000000000..bd2c0aea2a
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED125207.txt
@@ -0,0 +1,53 @@
+ACCESSION: MSBNK-EAWAG-ED125207
+RECORD_TITLE: Dihydrospumigin N (and isomers); LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], F. Rios Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1093/femsec/fiaa243
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 1252
+CH$NAME: Dihydrospumigin N (and isomers)
+CH$NAME: (2S)-N-((S)-5-guanidino-1-hydroxypentan-2-yl)-1-((2-hydroxy-4-(4-hydroxyphenyl)butanoyl)-D-tyrosyl)pyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C30H42N6O7
+CH$EXACT_MASS: 598.3114977
+CH$SMILES: OC1=CC=C(CCC(O)C(N[C@H](CC2=CC=C(O)C=C2)C(N3[C@H](C(N[C@@H](CCCNC(N)=N)CO)=O)CCC3)=O)=O)C=C1
+CH$IUPAC: InChI=1S/C30H42N6O7/c31-30(32)33-15-1-3-21(18-37)34-27(41)25-4-2-16-36(25)29(43)24(17-20-7-12-23(39)13-8-20)35-28(42)26(40)14-9-19-5-10-22(38)11-6-19/h5-8,10-13,21,24-26,37-40H,1-4,9,14-18H2,(H,34,41)(H,35,42)(H4,31,32,33)/t21-,24+,25-,26?/m0/s1
+CH$LINK: PUBCHEM CID:145974544
+CH$LINK: INCHIKEY WKADCTRDFMBYPU-FDHYGZKMSA-N
+CH$LINK: CHEMSPIDER 90658208
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 63-632
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.122 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 599.3188
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0079-7900000000-73fb76f483a752e91a5b
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  70.065 C4H8N+ 1 70.0651 -1.26
+  91.0543 C7H7+ 1 91.0542 1.22
+  102.0914 C5H12NO+ 1 102.0913 0.6
+  107.0492 C7H7O+ 1 107.0491 0.42
+  136.0755 C8H10NO+ 1 136.0757 -1.7
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  70.065 263239.1 863
+  91.0543 27948.3 91
+  102.0914 42693 140
+  107.0492 20323.8 66
+  136.0755 304561 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED125208.txt b/Eawag/MSBNK-EAWAG-ED125208.txt
new file mode 100644
index 0000000000..d575519f55
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED125208.txt
@@ -0,0 +1,53 @@
+ACCESSION: MSBNK-EAWAG-ED125208
+RECORD_TITLE: Dihydrospumigin N (and isomers); LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], F. Rios Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1093/femsec/fiaa243
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 1252
+CH$NAME: Dihydrospumigin N (and isomers)
+CH$NAME: (2S)-N-((S)-5-guanidino-1-hydroxypentan-2-yl)-1-((2-hydroxy-4-(4-hydroxyphenyl)butanoyl)-D-tyrosyl)pyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C30H42N6O7
+CH$EXACT_MASS: 598.3114977
+CH$SMILES: OC1=CC=C(CCC(O)C(N[C@H](CC2=CC=C(O)C=C2)C(N3[C@H](C(N[C@@H](CCCNC(N)=N)CO)=O)CCC3)=O)=O)C=C1
+CH$IUPAC: InChI=1S/C30H42N6O7/c31-30(32)33-15-1-3-21(18-37)34-27(41)25-4-2-16-36(25)29(43)24(17-20-7-12-23(39)13-8-20)35-28(42)26(40)14-9-19-5-10-22(38)11-6-19/h5-8,10-13,21,24-26,37-40H,1-4,9,14-18H2,(H,34,41)(H,35,42)(H4,31,32,33)/t21-,24+,25-,26?/m0/s1
+CH$LINK: PUBCHEM CID:145974544
+CH$LINK: INCHIKEY WKADCTRDFMBYPU-FDHYGZKMSA-N
+CH$LINK: CHEMSPIDER 90658208
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 63-632
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.122 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 599.3188
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0079-8900000000-b346902d0e5d642e7286
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  70.065 C4H8N+ 1 70.0651 -1.16
+  91.0542 C7H7+ 1 91.0542 -0.29
+  107.0491 C7H7O+ 1 107.0491 -0.01
+  119.0489 C8H7O+ 1 119.0491 -2.38
+  136.0755 C8H10NO+ 1 136.0757 -1.48
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  70.065 232236.2 960
+  91.0542 73611.3 304
+  107.0491 30976.4 128
+  119.0489 60998.9 252
+  136.0755 241427.3 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED125209.txt b/Eawag/MSBNK-EAWAG-ED125209.txt
new file mode 100644
index 0000000000..291c236709
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED125209.txt
@@ -0,0 +1,55 @@
+ACCESSION: MSBNK-EAWAG-ED125209
+RECORD_TITLE: Dihydrospumigin N (and isomers); LC-ESI-QFT; MS2; CE: 80%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], F. Rios Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1093/femsec/fiaa243
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 1252
+CH$NAME: Dihydrospumigin N (and isomers)
+CH$NAME: (2S)-N-((S)-5-guanidino-1-hydroxypentan-2-yl)-1-((2-hydroxy-4-(4-hydroxyphenyl)butanoyl)-D-tyrosyl)pyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C30H42N6O7
+CH$EXACT_MASS: 598.3114977
+CH$SMILES: OC1=CC=C(CCC(O)C(N[C@H](CC2=CC=C(O)C=C2)C(N3[C@H](C(N[C@@H](CCCNC(N)=N)CO)=O)CCC3)=O)=O)C=C1
+CH$IUPAC: InChI=1S/C30H42N6O7/c31-30(32)33-15-1-3-21(18-37)34-27(41)25-4-2-16-36(25)29(43)24(17-20-7-12-23(39)13-8-20)35-28(42)26(40)14-9-19-5-10-22(38)11-6-19/h5-8,10-13,21,24-26,37-40H,1-4,9,14-18H2,(H,34,41)(H,35,42)(H4,31,32,33)/t21-,24+,25-,26?/m0/s1
+CH$LINK: PUBCHEM CID:145974544
+CH$LINK: INCHIKEY WKADCTRDFMBYPU-FDHYGZKMSA-N
+CH$LINK: CHEMSPIDER 90658208
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 63-632
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.122 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 599.3188
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00du-9700000000-d5bf2adaedf6449e0ff9
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  70.0651 C4H8N+ 1 70.0651 -1.05
+  91.0541 C7H7+ 1 91.0542 -1.21
+  102.0914 C5H12NO+ 1 102.0913 0.53
+  107.0491 C7H7O+ 1 107.0491 0.06
+  119.049 C8H7O+ 1 119.0491 -1.49
+  136.0754 C8H10NO+ 1 136.0757 -2.04
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  70.0651 236807.4 999
+  91.0541 125603.2 529
+  102.0914 27810.7 117
+  107.0491 43369.7 182
+  119.049 79166.9 333
+  136.0754 155030.1 654
+//
diff --git a/Eawag/MSBNK-EAWAG-ED125601.txt b/Eawag/MSBNK-EAWAG-ED125601.txt
new file mode 100644
index 0000000000..45ca2eb438
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED125601.txt
@@ -0,0 +1,49 @@
+ACCESSION: MSBNK-EAWAG-ED125601
+RECORD_TITLE: Spumigin F; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1111/j.1365-2958.2009.06816.x
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1256
+CH$NAME: Spumigin F
+CH$NAME: (2S)-N-(5-guanidino-1-oxopentan-2-yl)-1-((R)-2-((R)-2-hydroxy-3-(4-hydroxyphenyl)propanamido)-4-(4-hydroxyphenyl)butanoyl)pyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C30H40N6O7
+CH$EXACT_MASS: 596.2958476
+CH$SMILES: OC1=CC=C(C[C@@H](O)C(N[C@@H](C(N2[C@H](C(NC(CCCNC(N)=N)C=O)=O)CCC2)=O)CCC3=CC=C(O)C=C3)=O)C=C1
+CH$IUPAC: InChI=1S/C30H40N6O7/c31-30(32)33-15-1-3-21(18-37)34-27(41)25-4-2-16-36(25)29(43)24(14-9-19-5-10-22(38)11-6-19)35-28(42)26(40)17-20-7-12-23(39)13-8-20/h5-8,10-13,18,21,24-26,38-40H,1-4,9,14-17H2,(H,34,41)(H,35,42)(H4,31,32,33)/t21?,24-,25+,26-/m1/s1
+CH$LINK: PUBCHEM CID:139588807
+CH$LINK: INCHIKEY ZSNZKFBMFHDMOM-TUJAQADMSA-N
+CH$LINK: CHEMSPIDER 64868962
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 62-630
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.324 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 597.3031
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-002b-0000090000-fcbb038a77092ef9b00f
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  537.2709 C29H37N4O6+ 1 537.2708 0.25
+  579.2926 C30H39N6O6+ 1 579.2926 0.13
+  597.3031 C30H41N6O7+ 1 597.3031 -0.08
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  537.2709 109814.3 102
+  579.2926 799050.2 747
+  597.3031 1067735.9 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED125602.txt b/Eawag/MSBNK-EAWAG-ED125602.txt
new file mode 100644
index 0000000000..3930e23adf
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED125602.txt
@@ -0,0 +1,49 @@
+ACCESSION: MSBNK-EAWAG-ED125602
+RECORD_TITLE: Spumigin F; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1111/j.1365-2958.2009.06816.x
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1256
+CH$NAME: Spumigin F
+CH$NAME: (2S)-N-(5-guanidino-1-oxopentan-2-yl)-1-((R)-2-((R)-2-hydroxy-3-(4-hydroxyphenyl)propanamido)-4-(4-hydroxyphenyl)butanoyl)pyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C30H40N6O7
+CH$EXACT_MASS: 596.2958476
+CH$SMILES: OC1=CC=C(C[C@@H](O)C(N[C@@H](C(N2[C@H](C(NC(CCCNC(N)=N)C=O)=O)CCC2)=O)CCC3=CC=C(O)C=C3)=O)C=C1
+CH$IUPAC: InChI=1S/C30H40N6O7/c31-30(32)33-15-1-3-21(18-37)34-27(41)25-4-2-16-36(25)29(43)24(14-9-19-5-10-22(38)11-6-19)35-28(42)26(40)17-20-7-12-23(39)13-8-20/h5-8,10-13,18,21,24-26,38-40H,1-4,9,14-17H2,(H,34,41)(H,35,42)(H4,31,32,33)/t21?,24-,25+,26-/m1/s1
+CH$LINK: PUBCHEM CID:139588807
+CH$LINK: INCHIKEY ZSNZKFBMFHDMOM-TUJAQADMSA-N
+CH$LINK: CHEMSPIDER 64868962
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 62-630
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.324 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 597.3031
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-004j-0000090000-a0cdd0a8ac7f71b4bd6e
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  537.2713 C29H37N4O6+ 1 537.2708 0.93
+  579.2928 C30H39N6O6+ 1 579.2926 0.34
+  597.303 C30H41N6O7+ 1 597.3031 -0.18
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  537.2713 188567.3 180
+  579.2928 1042738.4 999
+  597.303 697529.4 668
+//
diff --git a/Eawag/MSBNK-EAWAG-ED125603.txt b/Eawag/MSBNK-EAWAG-ED125603.txt
new file mode 100644
index 0000000000..b28e8183c2
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED125603.txt
@@ -0,0 +1,53 @@
+ACCESSION: MSBNK-EAWAG-ED125603
+RECORD_TITLE: Spumigin F; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1111/j.1365-2958.2009.06816.x
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1256
+CH$NAME: Spumigin F
+CH$NAME: (2S)-N-(5-guanidino-1-oxopentan-2-yl)-1-((R)-2-((R)-2-hydroxy-3-(4-hydroxyphenyl)propanamido)-4-(4-hydroxyphenyl)butanoyl)pyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C30H40N6O7
+CH$EXACT_MASS: 596.2958476
+CH$SMILES: OC1=CC=C(C[C@@H](O)C(N[C@@H](C(N2[C@H](C(NC(CCCNC(N)=N)C=O)=O)CCC2)=O)CCC3=CC=C(O)C=C3)=O)C=C1
+CH$IUPAC: InChI=1S/C30H40N6O7/c31-30(32)33-15-1-3-21(18-37)34-27(41)25-4-2-16-36(25)29(43)24(14-9-19-5-10-22(38)11-6-19)35-28(42)26(40)17-20-7-12-23(39)13-8-20/h5-8,10-13,18,21,24-26,38-40H,1-4,9,14-17H2,(H,34,41)(H,35,42)(H4,31,32,33)/t21?,24-,25+,26-/m1/s1
+CH$LINK: PUBCHEM CID:139588807
+CH$LINK: INCHIKEY ZSNZKFBMFHDMOM-TUJAQADMSA-N
+CH$LINK: CHEMSPIDER 64868962
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 62-630
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.324 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 597.3031
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-004i-0000090000-869e2ba6ec210f53f1c3
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  70.0651 C4H8N+ 1 70.0651 -1.05
+  196.1446 C10H18N3O+ 1 196.1444 0.78
+  537.271 C29H37N4O6+ 1 537.2708 0.47
+  579.2929 C30H39N6O6+ 1 579.2926 0.66
+  597.3038 C30H41N6O7+ 1 597.3031 1.05
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  70.0651 22719.9 21
+  196.1446 88105 83
+  537.271 254596.2 241
+  579.2929 1052098.2 999
+  597.3038 429680 407
+//
diff --git a/Eawag/MSBNK-EAWAG-ED125604.txt b/Eawag/MSBNK-EAWAG-ED125604.txt
new file mode 100644
index 0000000000..5a1de49719
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED125604.txt
@@ -0,0 +1,69 @@
+ACCESSION: MSBNK-EAWAG-ED125604
+RECORD_TITLE: Spumigin F; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1111/j.1365-2958.2009.06816.x
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1256
+CH$NAME: Spumigin F
+CH$NAME: (2S)-N-(5-guanidino-1-oxopentan-2-yl)-1-((R)-2-((R)-2-hydroxy-3-(4-hydroxyphenyl)propanamido)-4-(4-hydroxyphenyl)butanoyl)pyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C30H40N6O7
+CH$EXACT_MASS: 596.2958476
+CH$SMILES: OC1=CC=C(C[C@@H](O)C(N[C@@H](C(N2[C@H](C(NC(CCCNC(N)=N)C=O)=O)CCC2)=O)CCC3=CC=C(O)C=C3)=O)C=C1
+CH$IUPAC: InChI=1S/C30H40N6O7/c31-30(32)33-15-1-3-21(18-37)34-27(41)25-4-2-16-36(25)29(43)24(14-9-19-5-10-22(38)11-6-19)35-28(42)26(40)17-20-7-12-23(39)13-8-20/h5-8,10-13,18,21,24-26,38-40H,1-4,9,14-17H2,(H,34,41)(H,35,42)(H4,31,32,33)/t21?,24-,25+,26-/m1/s1
+CH$LINK: PUBCHEM CID:139588807
+CH$LINK: INCHIKEY ZSNZKFBMFHDMOM-TUJAQADMSA-N
+CH$LINK: CHEMSPIDER 64868962
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 62-630
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.324 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 597.3031
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-004j-1200090000-6cc31be4a66b714824fc
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  70.0652 C4H8N+ 1 70.0651 1.34
+  142.0976 C6H12N3O+ 1 142.0975 0.67
+  151.123 C9H15N2+ 1 151.123 0.49
+  196.1446 C10H18N3O+ 1 196.1444 0.86
+  221.1405 C13H19NO2+ 2 221.141 -2.57
+  238.1669 C13H22N2O2+ 2 238.1676 -2.8
+  239.1498 C11H19N4O2+ 2 239.1503 -1.85
+  314.1389 C18H20NO4+ 2 314.1387 0.77
+  342.1336 C19H20NO5+ 3 342.1336 0.04
+  439.1868 C25H23N6O2+ 3 439.1877 -1.95
+  537.2709 C29H37N4O6+ 1 537.2708 0.25
+  579.2931 C30H39N6O6+ 1 579.2926 0.87
+  597.3028 C30H41N6O7+ 1 597.3031 -0.48
+PK$NUM_PEAK: 13
+PK$PEAK: m/z int. rel.int.
+  70.0652 132620.9 172
+  142.0976 10593.1 13
+  151.123 62545.4 81
+  196.1446 294942.7 384
+  221.1405 32508.9 42
+  238.1669 20979.4 27
+  239.1498 19320.5 25
+  314.1389 32231.8 42
+  342.1336 80139.1 104
+  439.1868 18904.5 24
+  537.2709 206922.3 269
+  579.2931 766188.1 999
+  597.3028 172759.1 225
+//
diff --git a/Eawag/MSBNK-EAWAG-ED125605.txt b/Eawag/MSBNK-EAWAG-ED125605.txt
new file mode 100644
index 0000000000..45ba9d2f0e
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED125605.txt
@@ -0,0 +1,73 @@
+ACCESSION: MSBNK-EAWAG-ED125605
+RECORD_TITLE: Spumigin F; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1111/j.1365-2958.2009.06816.x
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1256
+CH$NAME: Spumigin F
+CH$NAME: (2S)-N-(5-guanidino-1-oxopentan-2-yl)-1-((R)-2-((R)-2-hydroxy-3-(4-hydroxyphenyl)propanamido)-4-(4-hydroxyphenyl)butanoyl)pyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C30H40N6O7
+CH$EXACT_MASS: 596.2958476
+CH$SMILES: OC1=CC=C(C[C@@H](O)C(N[C@@H](C(N2[C@H](C(NC(CCCNC(N)=N)C=O)=O)CCC2)=O)CCC3=CC=C(O)C=C3)=O)C=C1
+CH$IUPAC: InChI=1S/C30H40N6O7/c31-30(32)33-15-1-3-21(18-37)34-27(41)25-4-2-16-36(25)29(43)24(14-9-19-5-10-22(38)11-6-19)35-28(42)26(40)17-20-7-12-23(39)13-8-20/h5-8,10-13,18,21,24-26,38-40H,1-4,9,14-17H2,(H,34,41)(H,35,42)(H4,31,32,33)/t21?,24-,25+,26-/m1/s1
+CH$LINK: PUBCHEM CID:139588807
+CH$LINK: INCHIKEY ZSNZKFBMFHDMOM-TUJAQADMSA-N
+CH$LINK: CHEMSPIDER 64868962
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 62-630
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.324 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 597.3031
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0fka-4910000000-fe0bd975852fa720fc85
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  70.0652 C4H8N+ 1 70.0651 0.8
+  99.092 C5H11N2+ 1 99.0917 3.68
+  100.0758 C5H10NO+ 1 100.0757 1.12
+  107.049 C7H7O+ 1 107.0491 -0.88
+  133.0648 C9H9O+ 1 133.0648 -0.22
+  142.0975 C6H12N3O+ 1 142.0975 0.14
+  150.0915 C9H12NO+ 1 150.0913 0.99
+  151.1229 C9H15N2+ 1 151.123 -0.72
+  179.1182 C10H15N2O+ 1 179.1179 1.56
+  182.0808 C9H12NO3+ 1 182.0812 -2
+  196.1447 C10H18N3O+ 1 196.1444 1.17
+  208.0968 C11H14NO3+ 1 208.0968 -0.29
+  239.1514 C11H19N4O2+ 2 239.1503 4.78
+  342.1334 C19H20NO5+ 3 342.1336 -0.67
+  537.2722 C29H37N4O6+ 1 537.2708 2.63
+PK$NUM_PEAK: 15
+PK$PEAK: m/z int. rel.int.
+  70.0652 332319.7 999
+  99.092 28797.2 86
+  100.0758 24907.9 74
+  107.049 37031 111
+  133.0648 52226.3 156
+  142.0975 18812.9 56
+  150.0915 11060 33
+  151.1229 235865.4 709
+  179.1182 43067.4 129
+  182.0808 85717 257
+  196.1447 246041.6 739
+  208.0968 79157 237
+  239.1514 23573.4 70
+  342.1334 27690.2 83
+  537.2722 15092 45
+//
diff --git a/Eawag/MSBNK-EAWAG-ED125606.txt b/Eawag/MSBNK-EAWAG-ED125606.txt
new file mode 100644
index 0000000000..1f1a479b1a
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED125606.txt
@@ -0,0 +1,71 @@
+ACCESSION: MSBNK-EAWAG-ED125606
+RECORD_TITLE: Spumigin F; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1111/j.1365-2958.2009.06816.x
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1256
+CH$NAME: Spumigin F
+CH$NAME: (2S)-N-(5-guanidino-1-oxopentan-2-yl)-1-((R)-2-((R)-2-hydroxy-3-(4-hydroxyphenyl)propanamido)-4-(4-hydroxyphenyl)butanoyl)pyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C30H40N6O7
+CH$EXACT_MASS: 596.2958476
+CH$SMILES: OC1=CC=C(C[C@@H](O)C(N[C@@H](C(N2[C@H](C(NC(CCCNC(N)=N)C=O)=O)CCC2)=O)CCC3=CC=C(O)C=C3)=O)C=C1
+CH$IUPAC: InChI=1S/C30H40N6O7/c31-30(32)33-15-1-3-21(18-37)34-27(41)25-4-2-16-36(25)29(43)24(14-9-19-5-10-22(38)11-6-19)35-28(42)26(40)17-20-7-12-23(39)13-8-20/h5-8,10-13,18,21,24-26,38-40H,1-4,9,14-17H2,(H,34,41)(H,35,42)(H4,31,32,33)/t21?,24-,25+,26-/m1/s1
+CH$LINK: PUBCHEM CID:139588807
+CH$LINK: INCHIKEY ZSNZKFBMFHDMOM-TUJAQADMSA-N
+CH$LINK: CHEMSPIDER 64868962
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 62-630
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.324 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 597.3031
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0kmi-6910000000-69e79d51a55dcf8994bd
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  70.0652 C4H8N+ 1 70.0651 0.36
+  82.0652 C5H8N+ 1 82.0651 1.11
+  84.0809 C5H10N+ 1 84.0808 1.12
+  99.0917 C5H11N2+ 1 99.0917 0.37
+  100.0754 C5H10NO+ 1 100.0757 -2.92
+  107.0491 C7H7O+ 1 107.0491 -0.02
+  133.065 C9H9O+ 1 133.0648 1.27
+  141.1135 C6H13N4+ 1 141.1135 -0.1
+  150.0913 C9H12NO+ 1 150.0913 -0.54
+  151.1229 C9H15N2+ 1 151.123 -0.42
+  179.1178 C10H15N2O+ 1 179.1179 -0.66
+  182.0811 C9H12NO3+ 1 182.0812 -0.57
+  196.1444 C10H18N3O+ 1 196.1444 -0.15
+  208.0969 C11H14NO3+ 1 208.0968 0.45
+PK$NUM_PEAK: 14
+PK$PEAK: m/z int. rel.int.
+  70.0652 374599.7 999
+  82.0652 8193.9 21
+  84.0809 35738.9 95
+  99.0917 54736.6 145
+  100.0754 38980.4 103
+  107.0491 132124.4 352
+  133.065 67692.2 180
+  141.1135 13121.8 34
+  150.0913 25097.3 66
+  151.1229 194972.3 519
+  179.1178 40796.4 108
+  182.0811 30976.4 82
+  196.1444 67392.8 179
+  208.0969 79636.6 212
+//
diff --git a/Eawag/MSBNK-EAWAG-ED125607.txt b/Eawag/MSBNK-EAWAG-ED125607.txt
new file mode 100644
index 0000000000..0fee8271b0
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED125607.txt
@@ -0,0 +1,71 @@
+ACCESSION: MSBNK-EAWAG-ED125607
+RECORD_TITLE: Spumigin F; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1111/j.1365-2958.2009.06816.x
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1256
+CH$NAME: Spumigin F
+CH$NAME: (2S)-N-(5-guanidino-1-oxopentan-2-yl)-1-((R)-2-((R)-2-hydroxy-3-(4-hydroxyphenyl)propanamido)-4-(4-hydroxyphenyl)butanoyl)pyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C30H40N6O7
+CH$EXACT_MASS: 596.2958476
+CH$SMILES: OC1=CC=C(C[C@@H](O)C(N[C@@H](C(N2[C@H](C(NC(CCCNC(N)=N)C=O)=O)CCC2)=O)CCC3=CC=C(O)C=C3)=O)C=C1
+CH$IUPAC: InChI=1S/C30H40N6O7/c31-30(32)33-15-1-3-21(18-37)34-27(41)25-4-2-16-36(25)29(43)24(14-9-19-5-10-22(38)11-6-19)35-28(42)26(40)17-20-7-12-23(39)13-8-20/h5-8,10-13,18,21,24-26,38-40H,1-4,9,14-17H2,(H,34,41)(H,35,42)(H4,31,32,33)/t21?,24-,25+,26-/m1/s1
+CH$LINK: PUBCHEM CID:139588807
+CH$LINK: INCHIKEY ZSNZKFBMFHDMOM-TUJAQADMSA-N
+CH$LINK: CHEMSPIDER 64868962
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 62-630
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.324 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 597.3031
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-05fr-9800000000-049fa0c1da1795a83824
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  70.0651 C4H8N+ 1 70.0651 0.25
+  82.0652 C5H8N+ 1 82.0651 1.48
+  84.0809 C5H10N+ 1 84.0808 1.39
+  99.0917 C5H11N2+ 1 99.0917 0.52
+  100.0758 C5H10NO+ 1 100.0757 0.66
+  107.0491 C7H7O+ 1 107.0491 -0.38
+  127.0866 C6H11N2O+ 1 127.0866 -0.02
+  133.0649 C9H9O+ 1 133.0648 0.81
+  137.0595 C8H9O2+ 1 137.0597 -1.4
+  142.098 C6H12N3O+ 1 142.0975 3.79
+  151.123 C9H15N2+ 1 151.123 -0.12
+  179.1182 C10H15N2O+ 1 179.1179 1.47
+  196.1448 C10H18N3O+ 1 196.1444 1.64
+  208.0975 C11H14NO3+ 1 208.0968 3.38
+PK$NUM_PEAK: 14
+PK$PEAK: m/z int. rel.int.
+  70.0651 404584.7 999
+  82.0652 22113.5 54
+  84.0809 44487.5 109
+  99.0917 59429.2 146
+  100.0758 27067.2 66
+  107.0491 221180.1 546
+  127.0866 12140.6 29
+  133.0649 65486.1 161
+  137.0595 14744.2 36
+  142.098 13973.6 34
+  151.123 127491.4 314
+  179.1182 32984.1 81
+  196.1448 13283.3 32
+  208.0975 20551 50
+//
diff --git a/Eawag/MSBNK-EAWAG-ED125608.txt b/Eawag/MSBNK-EAWAG-ED125608.txt
new file mode 100644
index 0000000000..820a522862
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED125608.txt
@@ -0,0 +1,65 @@
+ACCESSION: MSBNK-EAWAG-ED125608
+RECORD_TITLE: Spumigin F; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1111/j.1365-2958.2009.06816.x
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1256
+CH$NAME: Spumigin F
+CH$NAME: (2S)-N-(5-guanidino-1-oxopentan-2-yl)-1-((R)-2-((R)-2-hydroxy-3-(4-hydroxyphenyl)propanamido)-4-(4-hydroxyphenyl)butanoyl)pyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C30H40N6O7
+CH$EXACT_MASS: 596.2958476
+CH$SMILES: OC1=CC=C(C[C@@H](O)C(N[C@@H](C(N2[C@H](C(NC(CCCNC(N)=N)C=O)=O)CCC2)=O)CCC3=CC=C(O)C=C3)=O)C=C1
+CH$IUPAC: InChI=1S/C30H40N6O7/c31-30(32)33-15-1-3-21(18-37)34-27(41)25-4-2-16-36(25)29(43)24(14-9-19-5-10-22(38)11-6-19)35-28(42)26(40)17-20-7-12-23(39)13-8-20/h5-8,10-13,18,21,24-26,38-40H,1-4,9,14-17H2,(H,34,41)(H,35,42)(H4,31,32,33)/t21?,24-,25+,26-/m1/s1
+CH$LINK: PUBCHEM CID:139588807
+CH$LINK: INCHIKEY ZSNZKFBMFHDMOM-TUJAQADMSA-N
+CH$LINK: CHEMSPIDER 64868962
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 62-630
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.324 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 597.3031
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-05fr-9800000000-e6db902c51182283581f
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  70.0652 C4H8N+ 1 70.0651 0.58
+  82.065 C5H8N+ 1 82.0651 -1.12
+  84.0807 C5H10N+ 1 84.0808 -0.7
+  91.0544 C7H7+ 1 91.0542 2
+  99.0916 C5H11N2+ 1 99.0917 -0.48
+  100.0758 C5H10NO+ 1 100.0757 0.97
+  107.0492 C7H7O+ 1 107.0491 0.48
+  119.0494 C8H7O+ 1 119.0491 2.1
+  133.0649 C9H9O+ 1 133.0648 0.46
+  137.0598 C8H9O2+ 1 137.0597 0.71
+  151.1232 C9H15N2+ 1 151.123 1.3
+PK$NUM_PEAK: 11
+PK$PEAK: m/z int. rel.int.
+  70.0652 473123.9 999
+  82.065 38216.7 80
+  84.0807 51491.9 108
+  91.0544 12679.6 26
+  99.0916 53743.7 113
+  100.0758 37852.6 79
+  107.0492 367877.2 776
+  119.0494 18129.4 38
+  133.0649 64727.6 136
+  137.0598 22002.6 46
+  151.1232 79199.4 167
+//
diff --git a/Eawag/MSBNK-EAWAG-ED125609.txt b/Eawag/MSBNK-EAWAG-ED125609.txt
new file mode 100644
index 0000000000..668e4c57b2
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED125609.txt
@@ -0,0 +1,65 @@
+ACCESSION: MSBNK-EAWAG-ED125609
+RECORD_TITLE: Spumigin F; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1111/j.1365-2958.2009.06816.x
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1256
+CH$NAME: Spumigin F
+CH$NAME: (2S)-N-(5-guanidino-1-oxopentan-2-yl)-1-((R)-2-((R)-2-hydroxy-3-(4-hydroxyphenyl)propanamido)-4-(4-hydroxyphenyl)butanoyl)pyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C30H40N6O7
+CH$EXACT_MASS: 596.2958476
+CH$SMILES: OC1=CC=C(C[C@@H](O)C(N[C@@H](C(N2[C@H](C(NC(CCCNC(N)=N)C=O)=O)CCC2)=O)CCC3=CC=C(O)C=C3)=O)C=C1
+CH$IUPAC: InChI=1S/C30H40N6O7/c31-30(32)33-15-1-3-21(18-37)34-27(41)25-4-2-16-36(25)29(43)24(14-9-19-5-10-22(38)11-6-19)35-28(42)26(40)17-20-7-12-23(39)13-8-20/h5-8,10-13,18,21,24-26,38-40H,1-4,9,14-17H2,(H,34,41)(H,35,42)(H4,31,32,33)/t21?,24-,25+,26-/m1/s1
+CH$LINK: PUBCHEM CID:139588807
+CH$LINK: INCHIKEY ZSNZKFBMFHDMOM-TUJAQADMSA-N
+CH$LINK: CHEMSPIDER 64868962
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 62-630
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.324 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 597.3031
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-05fr-9800000000-729e1c9e2409c23ece93
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  70.0651 C4H8N+ 1 70.0651 0.04
+  82.0651 C5H8N+ 1 82.0651 -0.01
+  84.0808 C5H10N+ 1 84.0808 0.12
+  91.0543 C7H7+ 1 91.0542 1
+  99.0919 C5H11N2+ 1 99.0917 2.6
+  100.076 C5H10NO+ 1 100.0757 3.56
+  107.0491 C7H7O+ 1 107.0491 -0.31
+  119.0491 C8H7O+ 1 119.0491 -0.72
+  133.0644 C9H9O+ 1 133.0648 -2.86
+  137.0595 C8H9O2+ 1 137.0597 -1.85
+  151.1229 C9H15N2+ 1 151.123 -0.32
+PK$NUM_PEAK: 11
+PK$PEAK: m/z int. rel.int.
+  70.0651 409646.5 999
+  82.0651 46374.4 113
+  84.0808 46397.7 113
+  91.0543 27571.4 67
+  99.0919 29681.5 72
+  100.076 31167.3 76
+  107.0491 400173.8 975
+  119.0491 26057.2 63
+  133.0644 38497.9 93
+  137.0595 8553.6 20
+  151.1229 39303.6 95
+//
diff --git a/Eawag/MSBNK-EAWAG-ED127501.txt b/Eawag/MSBNK-EAWAG-ED127501.txt
new file mode 100644
index 0000000000..5ad2aef294
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED127501.txt
@@ -0,0 +1,53 @@
+ACCESSION: MSBNK-EAWAG-ED127501
+RECORD_TITLE: Oscillaginin A; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.05.01
+AUTHORS: E. Janssen [dtc], X. Wang [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 1275
+CH$NAME: Oscillaginin A
+CH$NAME: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-3-amino-10-chloro-2-hydroxydecanoyl]amino]-3-hydroxypropanoyl]-methylamino]-3-methylbutanoyl]amino]-4-(4-hydroxyphenyl)butanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C29H47ClN4O8
+CH$EXACT_MASS: 614.3082421
+CH$SMILES: CC(C)[C@@H](C(=O)N[C@@H](CCC1=CC=C(C=C1)O)C(=O)O)N(C)C(=O)[C@H](CO)NC(=O)[C@H]([C@@H](CCCCCCCCl)N)O
+CH$IUPAC: InChI=1S/C29H47ClN4O8/c1-18(2)24(26(38)32-22(29(41)42)15-12-19-10-13-20(36)14-11-19)34(3)28(40)23(17-35)33-27(39)25(37)21(31)9-7-5-4-6-8-16-30/h10-11,13-14,18,21-25,35-37H,4-9,12,15-17,31H2,1-3H3,(H,32,38)(H,33,39)(H,41,42)/t21-,22+,23+,24+,25+/m1/s1
+CH$LINK: CHEBI 198099
+CH$LINK: PUBCHEM CID:46902107
+CH$LINK: INCHIKEY QYOGCHNVZHLFTR-RYWAYVEBSA-N
+CH$LINK: CHEMSPIDER 34233455
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 64-649
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.049 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 615.3155
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-014i-0000209000-aef2b3e4b5ff79943d28
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  309.1796 C10H30ClN2O6+ 3 309.1787 3.09
+  404.2298 C22H32N2O5+ 4 404.2306 -1.81
+  416.2304 C23H32N2O5+ 4 416.2306 -0.46
+  434.2409 C23H34N2O6+ 4 434.2411 -0.46
+  615.3146 C29H48ClN4O8+ 1 615.3155 -1.56
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  309.1796 51754.9 13
+  404.2298 161009.1 40
+  416.2304 397389.5 100
+  434.2409 633258.7 159
+  615.3146 3964064.2 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED127502.txt b/Eawag/MSBNK-EAWAG-ED127502.txt
new file mode 100644
index 0000000000..92d7d71260
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED127502.txt
@@ -0,0 +1,73 @@
+ACCESSION: MSBNK-EAWAG-ED127502
+RECORD_TITLE: Oscillaginin A; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.05.01
+AUTHORS: E. Janssen [dtc], X. Wang [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 1275
+CH$NAME: Oscillaginin A
+CH$NAME: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-3-amino-10-chloro-2-hydroxydecanoyl]amino]-3-hydroxypropanoyl]-methylamino]-3-methylbutanoyl]amino]-4-(4-hydroxyphenyl)butanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C29H47ClN4O8
+CH$EXACT_MASS: 614.3082421
+CH$SMILES: CC(C)[C@@H](C(=O)N[C@@H](CCC1=CC=C(C=C1)O)C(=O)O)N(C)C(=O)[C@H](CO)NC(=O)[C@H]([C@@H](CCCCCCCCl)N)O
+CH$IUPAC: InChI=1S/C29H47ClN4O8/c1-18(2)24(26(38)32-22(29(41)42)15-12-19-10-13-20(36)14-11-19)34(3)28(40)23(17-35)33-27(39)25(37)21(31)9-7-5-4-6-8-16-30/h10-11,13-14,18,21-25,35-37H,4-9,12,15-17,31H2,1-3H3,(H,32,38)(H,33,39)(H,41,42)/t21-,22+,23+,24+,25+/m1/s1
+CH$LINK: CHEBI 198099
+CH$LINK: PUBCHEM CID:46902107
+CH$LINK: INCHIKEY QYOGCHNVZHLFTR-RYWAYVEBSA-N
+CH$LINK: CHEMSPIDER 34233455
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 64-649
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.049 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 615.3155
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-014i-0100904000-a5336c7499d2b4966133
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  100.1121 C6H14N+ 1 100.1121 0.3
+  146.1177 C7H16NO2+ 2 146.1176 1.01
+  162.1048 C8H17ClN+ 1 162.1044 2.26
+  202.0985 C13H14O2+ 3 202.0988 -1.45
+  255.1328 C12H19N2O4+ 2 255.1339 -4.63
+  271.1196 C16H17NO3+ 3 271.1203 -2.72
+  273.1434 C6H26ClN2O7+ 2 273.1423 3.98
+  289.1304 C16H19NO4+ 3 289.1309 -1.56
+  309.18 C16H25N2O4+ 3 309.1809 -2.72
+  388.2346 C22H32N2O4+ 4 388.2357 -2.67
+  404.2302 C22H32N2O5+ 3 404.2306 -0.83
+  416.2305 C23H32N2O5+ 3 416.2306 -0.16
+  434.2408 C23H34N2O6+ 3 434.2411 -0.88
+  436.209 C23H32O8+ 5 436.2092 -0.35
+  615.3149 C29H48ClN4O8+ 1 615.3155 -1.07
+PK$NUM_PEAK: 15
+PK$PEAK: m/z int. rel.int.
+  100.1121 230782 168
+  146.1177 73716.3 53
+  162.1048 20377.9 14
+  202.0985 84939.4 62
+  255.1328 96067.3 70
+  271.1196 32612.6 23
+  273.1434 53354.8 38
+  289.1304 22666.6 16
+  309.18 233228.6 170
+  388.2346 29254.7 21
+  404.2302 506233.4 369
+  416.2305 1367892.9 999
+  434.2408 678728.7 495
+  436.209 84188.6 61
+  615.3149 1268826.1 926
+//
diff --git a/Eawag/MSBNK-EAWAG-ED127503.txt b/Eawag/MSBNK-EAWAG-ED127503.txt
new file mode 100644
index 0000000000..db4b446d8b
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED127503.txt
@@ -0,0 +1,77 @@
+ACCESSION: MSBNK-EAWAG-ED127503
+RECORD_TITLE: Oscillaginin A; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.05.01
+AUTHORS: E. Janssen [dtc], X. Wang [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 1275
+CH$NAME: Oscillaginin A
+CH$NAME: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-3-amino-10-chloro-2-hydroxydecanoyl]amino]-3-hydroxypropanoyl]-methylamino]-3-methylbutanoyl]amino]-4-(4-hydroxyphenyl)butanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C29H47ClN4O8
+CH$EXACT_MASS: 614.3082421
+CH$SMILES: CC(C)[C@@H](C(=O)N[C@@H](CCC1=CC=C(C=C1)O)C(=O)O)N(C)C(=O)[C@H](CO)NC(=O)[C@H]([C@@H](CCCCCCCCl)N)O
+CH$IUPAC: InChI=1S/C29H47ClN4O8/c1-18(2)24(26(38)32-22(29(41)42)15-12-19-10-13-20(36)14-11-19)34(3)28(40)23(17-35)33-27(39)25(37)21(31)9-7-5-4-6-8-16-30/h10-11,13-14,18,21-25,35-37H,4-9,12,15-17,31H2,1-3H3,(H,32,38)(H,33,39)(H,41,42)/t21-,22+,23+,24+,25+/m1/s1
+CH$LINK: CHEBI 198099
+CH$LINK: PUBCHEM CID:46902107
+CH$LINK: INCHIKEY QYOGCHNVZHLFTR-RYWAYVEBSA-N
+CH$LINK: CHEMSPIDER 34233455
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 64-649
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.049 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 615.3155
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0uxr-0742900000-5b0b21f7ef67bbfa637c
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  100.1121 C6H14N+ 1 100.1121 0.15
+  146.1174 C7H16NO2+ 2 146.1176 -1.39
+  162.1041 C8H17ClN+ 2 162.1044 -1.88
+  174.104 C12H14O+ 2 174.1039 0.43
+  202.0986 C13H14O2+ 3 202.0988 -1.08
+  215.1388 C10H19N2O3+ 2 215.139 -1.05
+  255.133 C12H19N2O4+ 2 255.1339 -3.61
+  259.12 C15H17NO3+ 3 259.1203 -1.3
+  271.12 C16H17NO3+ 3 271.1203 -1.26
+  273.1431 C6H26ClN2O7+ 2 273.1423 2.98
+  289.131 C16H19NO4+ 2 289.1309 0.45
+  309.1804 C16H25N2O4+ 2 309.1809 -1.53
+  398.2184 C23H30N2O4+ 3 398.22 -4.11
+  404.2302 C22H32N2O5+ 3 404.2306 -0.98
+  416.2305 C23H32N2O5+ 3 416.2306 -0.24
+  434.241 C23H34N2O6+ 4 434.2411 -0.25
+  615.3169 C29H48ClN4O8+ 1 615.3155 2.31
+PK$NUM_PEAK: 17
+PK$PEAK: m/z int. rel.int.
+  100.1121 1013303.8 870
+  146.1174 246946.2 212
+  162.1041 135228.3 116
+  174.104 20026.3 17
+  202.0986 356078.7 305
+  215.1388 36786.2 31
+  255.133 250334.1 215
+  259.12 21595.1 18
+  271.12 101601.4 87
+  273.1431 56608.2 48
+  289.131 71122.1 61
+  309.1804 333847.9 286
+  398.2184 84870.3 72
+  404.2302 454268.8 390
+  416.2305 1163070.9 999
+  434.241 190372 163
+  615.3169 149246.7 128
+//
diff --git a/Eawag/MSBNK-EAWAG-ED127504.txt b/Eawag/MSBNK-EAWAG-ED127504.txt
new file mode 100644
index 0000000000..023c1324be
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED127504.txt
@@ -0,0 +1,73 @@
+ACCESSION: MSBNK-EAWAG-ED127504
+RECORD_TITLE: Oscillaginin A; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.05.01
+AUTHORS: E. Janssen [dtc], X. Wang [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 1275
+CH$NAME: Oscillaginin A
+CH$NAME: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-3-amino-10-chloro-2-hydroxydecanoyl]amino]-3-hydroxypropanoyl]-methylamino]-3-methylbutanoyl]amino]-4-(4-hydroxyphenyl)butanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C29H47ClN4O8
+CH$EXACT_MASS: 614.3082421
+CH$SMILES: CC(C)[C@@H](C(=O)N[C@@H](CCC1=CC=C(C=C1)O)C(=O)O)N(C)C(=O)[C@H](CO)NC(=O)[C@H]([C@@H](CCCCCCCCl)N)O
+CH$IUPAC: InChI=1S/C29H47ClN4O8/c1-18(2)24(26(38)32-22(29(41)42)15-12-19-10-13-20(36)14-11-19)34(3)28(40)23(17-35)33-27(39)25(37)21(31)9-7-5-4-6-8-16-30/h10-11,13-14,18,21-25,35-37H,4-9,12,15-17,31H2,1-3H3,(H,32,38)(H,33,39)(H,41,42)/t21-,22+,23+,24+,25+/m1/s1
+CH$LINK: CHEBI 198099
+CH$LINK: PUBCHEM CID:46902107
+CH$LINK: INCHIKEY QYOGCHNVZHLFTR-RYWAYVEBSA-N
+CH$LINK: CHEMSPIDER 34233455
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 64-649
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.049 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 615.3155
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0udi-0940100000-a78daa6f1a823cba5178
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  100.1121 C6H14N+ 1 100.1121 0.38
+  146.1174 C7H16NO2+ 2 146.1176 -0.97
+  162.1042 C8H17ClN+ 2 162.1044 -1.5
+  169.1335 C9H17N2O+ 2 169.1335 -0.41
+  174.1037 C12H14O+ 2 174.1039 -0.98
+  202.0987 C13H14O2+ 3 202.0988 -0.62
+  203.1387 C9H19N2O3+ 2 203.139 -1.41
+  215.1383 C10H19N2O3+ 1 215.139 -3.46
+  227.1388 C11H19N2O3+ 2 227.139 -0.93
+  255.133 C12H19N2O4+ 2 255.1339 -3.67
+  259.1202 C15H17NO3+ 3 259.1203 -0.24
+  271.12 C16H17NO3+ 3 271.1203 -1.03
+  289.1305 C16H19NO4+ 3 289.1309 -1.24
+  309.1802 C16H25N2O4+ 3 309.1809 -2.13
+  416.2307 C23H32N2O5+ 3 416.2306 0.42
+PK$NUM_PEAK: 15
+PK$PEAK: m/z int. rel.int.
+  100.1121 1714299.4 999
+  146.1174 288545.3 168
+  162.1042 326737.6 190
+  169.1335 30108.1 17
+  174.1037 42532.7 24
+  202.0987 479597.5 279
+  203.1387 38396.4 22
+  215.1383 48376.6 28
+  227.1388 41083.3 23
+  255.133 264316 154
+  259.1202 35454.4 20
+  271.12 127395.5 74
+  289.1305 60172.8 35
+  309.1802 224512.8 130
+  416.2307 300357 175
+//
diff --git a/Eawag/MSBNK-EAWAG-ED127505.txt b/Eawag/MSBNK-EAWAG-ED127505.txt
new file mode 100644
index 0000000000..d5d157df10
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED127505.txt
@@ -0,0 +1,69 @@
+ACCESSION: MSBNK-EAWAG-ED127505
+RECORD_TITLE: Oscillaginin A; LC-ESI-QFT; MS2; CE: 35%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.05.01
+AUTHORS: E. Janssen [dtc], X. Wang [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 1275
+CH$NAME: Oscillaginin A
+CH$NAME: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-3-amino-10-chloro-2-hydroxydecanoyl]amino]-3-hydroxypropanoyl]-methylamino]-3-methylbutanoyl]amino]-4-(4-hydroxyphenyl)butanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C29H47ClN4O8
+CH$EXACT_MASS: 614.3082421
+CH$SMILES: CC(C)[C@@H](C(=O)N[C@@H](CCC1=CC=C(C=C1)O)C(=O)O)N(C)C(=O)[C@H](CO)NC(=O)[C@H]([C@@H](CCCCCCCCl)N)O
+CH$IUPAC: InChI=1S/C29H47ClN4O8/c1-18(2)24(26(38)32-22(29(41)42)15-12-19-10-13-20(36)14-11-19)34(3)28(40)23(17-35)33-27(39)25(37)21(31)9-7-5-4-6-8-16-30/h10-11,13-14,18,21-25,35-37H,4-9,12,15-17,31H2,1-3H3,(H,32,38)(H,33,39)(H,41,42)/t21-,22+,23+,24+,25+/m1/s1
+CH$LINK: CHEBI 198099
+CH$LINK: PUBCHEM CID:46902107
+CH$LINK: INCHIKEY QYOGCHNVZHLFTR-RYWAYVEBSA-N
+CH$LINK: CHEMSPIDER 34233455
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 35 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 64-649
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.049 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 615.3155
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0udi-0920000000-dc6db67c3d8bd7ea4118
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  100.1121 C6H14N+ 1 100.1121 -0.23
+  126.1273 C8H16N+ 1 126.1277 -3.13
+  146.1174 C7H16NO2+ 2 146.1176 -0.77
+  162.1041 C8H17ClN+ 2 162.1044 -2.07
+  169.133 C9H17N2O+ 1 169.1335 -3.48
+  174.104 C12H14O+ 2 174.1039 0.43
+  202.0987 C13H14O2+ 3 202.0988 -0.7
+  203.1381 C9H19N2O3+ 1 203.139 -4.56
+  215.1385 C10H19N2O3+ 2 215.139 -2.61
+  227.1384 C11H19N2O3+ 2 227.139 -2.54
+  255.1327 C12H19N2O4+ 2 255.1339 -4.86
+  271.12 C16H17NO3+ 3 271.1203 -1.03
+  309.1798 C10H30ClN2O6+ 2 309.1787 3.49
+PK$NUM_PEAK: 13
+PK$PEAK: m/z int. rel.int.
+  100.1121 2172902 999
+  126.1273 47734.2 21
+  146.1174 261558.3 120
+  162.1041 528819.4 243
+  169.133 53191.3 24
+  174.104 53103.1 24
+  202.0987 401169 184
+  203.1381 66552.3 30
+  215.1385 40599 18
+  227.1384 87681.2 40
+  255.1327 173650.9 79
+  271.12 101349.9 46
+  309.1798 109037.6 50
+//
diff --git a/Eawag/MSBNK-EAWAG-ED127506.txt b/Eawag/MSBNK-EAWAG-ED127506.txt
new file mode 100644
index 0000000000..86a63f12b6
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED127506.txt
@@ -0,0 +1,65 @@
+ACCESSION: MSBNK-EAWAG-ED127506
+RECORD_TITLE: Oscillaginin A; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.05.01
+AUTHORS: E. Janssen [dtc], X. Wang [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 1275
+CH$NAME: Oscillaginin A
+CH$NAME: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-3-amino-10-chloro-2-hydroxydecanoyl]amino]-3-hydroxypropanoyl]-methylamino]-3-methylbutanoyl]amino]-4-(4-hydroxyphenyl)butanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C29H47ClN4O8
+CH$EXACT_MASS: 614.3082421
+CH$SMILES: CC(C)[C@@H](C(=O)N[C@@H](CCC1=CC=C(C=C1)O)C(=O)O)N(C)C(=O)[C@H](CO)NC(=O)[C@H]([C@@H](CCCCCCCCl)N)O
+CH$IUPAC: InChI=1S/C29H47ClN4O8/c1-18(2)24(26(38)32-22(29(41)42)15-12-19-10-13-20(36)14-11-19)34(3)28(40)23(17-35)33-27(39)25(37)21(31)9-7-5-4-6-8-16-30/h10-11,13-14,18,21-25,35-37H,4-9,12,15-17,31H2,1-3H3,(H,32,38)(H,33,39)(H,41,42)/t21-,22+,23+,24+,25+/m1/s1
+CH$LINK: CHEBI 198099
+CH$LINK: PUBCHEM CID:46902107
+CH$LINK: INCHIKEY QYOGCHNVZHLFTR-RYWAYVEBSA-N
+CH$LINK: CHEMSPIDER 34233455
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 64-649
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.049 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 615.3155
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0udi-0910000000-ae92405cde6bbbc302c6
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  100.112 C6H14N+ 1 100.1121 -0.39
+  126.1275 C8H16N+ 1 126.1277 -1.56
+  138.1278 C9H16N+ 1 138.1277 0.35
+  146.1174 C7H16NO2+ 2 146.1176 -1.39
+  162.104 C8H17ClN+ 2 162.1044 -2.44
+  166.122 C10H16NO+ 2 166.1226 -3.94
+  169.1331 C9H17N2O+ 1 169.1335 -2.67
+  202.0986 C13H14O2+ 3 202.0988 -1.08
+  227.1379 C11H19N2O3+ 2 227.139 -4.96
+  255.1332 C12H19N2O4+ 2 255.1339 -2.71
+  271.1203 C16H17NO3+ 2 271.1203 0.1
+PK$NUM_PEAK: 11
+PK$PEAK: m/z int. rel.int.
+  100.112 2125831.2 999
+  126.1275 92156 43
+  138.1278 24198.7 11
+  146.1174 184837 86
+  162.104 603801.6 283
+  166.122 57623.3 27
+  169.1331 64580.5 30
+  202.0986 285004.9 133
+  227.1379 81415.4 38
+  255.1332 90439.1 42
+  271.1203 61600.6 28
+//
diff --git a/Eawag/MSBNK-EAWAG-ED127507.txt b/Eawag/MSBNK-EAWAG-ED127507.txt
new file mode 100644
index 0000000000..cc30042114
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED127507.txt
@@ -0,0 +1,73 @@
+ACCESSION: MSBNK-EAWAG-ED127507
+RECORD_TITLE: Oscillaginin A; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.05.01
+AUTHORS: E. Janssen [dtc], X. Wang [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 1275
+CH$NAME: Oscillaginin A
+CH$NAME: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-3-amino-10-chloro-2-hydroxydecanoyl]amino]-3-hydroxypropanoyl]-methylamino]-3-methylbutanoyl]amino]-4-(4-hydroxyphenyl)butanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C29H47ClN4O8
+CH$EXACT_MASS: 614.3082421
+CH$SMILES: CC(C)[C@@H](C(=O)N[C@@H](CCC1=CC=C(C=C1)O)C(=O)O)N(C)C(=O)[C@H](CO)NC(=O)[C@H]([C@@H](CCCCCCCCl)N)O
+CH$IUPAC: InChI=1S/C29H47ClN4O8/c1-18(2)24(26(38)32-22(29(41)42)15-12-19-10-13-20(36)14-11-19)34(3)28(40)23(17-35)33-27(39)25(37)21(31)9-7-5-4-6-8-16-30/h10-11,13-14,18,21-25,35-37H,4-9,12,15-17,31H2,1-3H3,(H,32,38)(H,33,39)(H,41,42)/t21-,22+,23+,24+,25+/m1/s1
+CH$LINK: CHEBI 198099
+CH$LINK: PUBCHEM CID:46902107
+CH$LINK: INCHIKEY QYOGCHNVZHLFTR-RYWAYVEBSA-N
+CH$LINK: CHEMSPIDER 34233455
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 64-649
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.049 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 615.3155
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0udi-0900000000-3e497d80574d6d04028e
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  67.0543 C5H7+ 1 67.0542 1.16
+  100.112 C6H14N+ 1 100.1121 -0.77
+  109.1009 C8H13+ 1 109.1012 -2.55
+  124.1118 C8H14N+ 1 124.1121 -1.82
+  126.1275 C8H16N+ 1 126.1277 -1.68
+  138.1275 C9H16N+ 1 138.1277 -1.86
+  146.1171 C7H16NO2+ 1 146.1176 -3.06
+  152.1065 C9H14NO+ 1 152.107 -3.32
+  162.104 C8H17ClN+ 2 162.1044 -2.63
+  166.1221 C10H16NO+ 1 166.1226 -3.02
+  169.1328 C9H17N2O+ 1 169.1335 -4.29
+  174.1039 C12H14O+ 2 174.1039 0.16
+  202.0988 C13H14O2+ 3 202.0988 -0.32
+  227.1381 C11H19N2O3+ 1 227.139 -4.15
+  271.1204 C16H17NO3+ 2 271.1203 0.43
+PK$NUM_PEAK: 15
+PK$PEAK: m/z int. rel.int.
+  67.0543 37157.2 17
+  100.112 2128247 999
+  109.1009 86607.8 40
+  124.1118 30639.1 14
+  126.1275 238938.5 112
+  138.1275 54331.8 25
+  146.1171 103010.5 48
+  152.1065 36576 17
+  162.104 564959.7 265
+  166.1221 86060.9 40
+  169.1328 103171.5 48
+  174.1039 33262.5 15
+  202.0988 114814.2 53
+  227.1381 31075.5 14
+  271.1204 21564 10
+//
diff --git a/Eawag/MSBNK-EAWAG-ED127508.txt b/Eawag/MSBNK-EAWAG-ED127508.txt
new file mode 100644
index 0000000000..c5050b2c5b
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED127508.txt
@@ -0,0 +1,67 @@
+ACCESSION: MSBNK-EAWAG-ED127508
+RECORD_TITLE: Oscillaginin A; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.05.01
+AUTHORS: E. Janssen [dtc], X. Wang [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 1275
+CH$NAME: Oscillaginin A
+CH$NAME: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-3-amino-10-chloro-2-hydroxydecanoyl]amino]-3-hydroxypropanoyl]-methylamino]-3-methylbutanoyl]amino]-4-(4-hydroxyphenyl)butanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C29H47ClN4O8
+CH$EXACT_MASS: 614.3082421
+CH$SMILES: CC(C)[C@@H](C(=O)N[C@@H](CCC1=CC=C(C=C1)O)C(=O)O)N(C)C(=O)[C@H](CO)NC(=O)[C@H]([C@@H](CCCCCCCCl)N)O
+CH$IUPAC: InChI=1S/C29H47ClN4O8/c1-18(2)24(26(38)32-22(29(41)42)15-12-19-10-13-20(36)14-11-19)34(3)28(40)23(17-35)33-27(39)25(37)21(31)9-7-5-4-6-8-16-30/h10-11,13-14,18,21-25,35-37H,4-9,12,15-17,31H2,1-3H3,(H,32,38)(H,33,39)(H,41,42)/t21-,22+,23+,24+,25+/m1/s1
+CH$LINK: CHEBI 198099
+CH$LINK: PUBCHEM CID:46902107
+CH$LINK: INCHIKEY QYOGCHNVZHLFTR-RYWAYVEBSA-N
+CH$LINK: CHEMSPIDER 34233455
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 64-649
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.049 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 615.3155
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0udi-0900000000-804cf974301e0ee50c57
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  67.0542 C5H7+ 1 67.0542 0.13
+  81.0698 C6H9+ 1 81.0699 -0.75
+  100.112 C6H14N+ 1 100.1121 -0.31
+  109.1011 C8H13+ 1 109.1012 -1.01
+  126.1276 C8H16N+ 1 126.1277 -1.07
+  128.0341 C5H6NO3+ 2 128.0342 -1.08
+  128.1065 C7H14NO+ 1 128.107 -3.71
+  138.128 C9H16N+ 1 138.1277 1.68
+  146.1176 C7H16NO2+ 2 146.1176 0.28
+  152.1068 C9H14NO+ 2 152.107 -1.31
+  162.104 C8H17ClN+ 2 162.1044 -2.35
+  202.0987 C13H14O2+ 3 202.0988 -0.55
+PK$NUM_PEAK: 12
+PK$PEAK: m/z int. rel.int.
+  67.0542 113831.5 61
+  81.0698 24901.1 13
+  100.112 1835442.8 999
+  109.1011 159563.8 86
+  126.1276 330070.6 179
+  128.0341 33439 18
+  128.1065 21260.4 11
+  138.128 42734 23
+  146.1176 36411.2 19
+  152.1068 34620.4 18
+  162.104 301935.5 164
+  202.0987 36588.4 19
+//
diff --git a/Eawag/MSBNK-EAWAG-ED127509.txt b/Eawag/MSBNK-EAWAG-ED127509.txt
new file mode 100644
index 0000000000..240c7eece8
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED127509.txt
@@ -0,0 +1,63 @@
+ACCESSION: MSBNK-EAWAG-ED127509
+RECORD_TITLE: Oscillaginin A; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.05.01
+AUTHORS: E. Janssen [dtc], X. Wang [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 1275
+CH$NAME: Oscillaginin A
+CH$NAME: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-3-amino-10-chloro-2-hydroxydecanoyl]amino]-3-hydroxypropanoyl]-methylamino]-3-methylbutanoyl]amino]-4-(4-hydroxyphenyl)butanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C29H47ClN4O8
+CH$EXACT_MASS: 614.3082421
+CH$SMILES: CC(C)[C@@H](C(=O)N[C@@H](CCC1=CC=C(C=C1)O)C(=O)O)N(C)C(=O)[C@H](CO)NC(=O)[C@H]([C@@H](CCCCCCCCl)N)O
+CH$IUPAC: InChI=1S/C29H47ClN4O8/c1-18(2)24(26(38)32-22(29(41)42)15-12-19-10-13-20(36)14-11-19)34(3)28(40)23(17-35)33-27(39)25(37)21(31)9-7-5-4-6-8-16-30/h10-11,13-14,18,21-25,35-37H,4-9,12,15-17,31H2,1-3H3,(H,32,38)(H,33,39)(H,41,42)/t21-,22+,23+,24+,25+/m1/s1
+CH$LINK: CHEBI 198099
+CH$LINK: PUBCHEM CID:46902107
+CH$LINK: INCHIKEY QYOGCHNVZHLFTR-RYWAYVEBSA-N
+CH$LINK: CHEMSPIDER 34233455
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 64-649
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.049 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 615.3155
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0udi-0900000000-33bf019dc8e4563359d6
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  67.0542 C5H7+ 1 67.0542 0.25
+  81.0696 C6H9+ 1 81.0699 -3.67
+  100.112 C6H14N+ 1 100.1121 -0.39
+  109.1011 C8H13+ 1 109.1012 -0.73
+  124.1119 C8H14N+ 1 124.1121 -1.27
+  126.1276 C8H16N+ 1 126.1277 -1.25
+  128.0342 C5H6NO3+ 2 128.0342 -0.25
+  152.1068 C9H14NO+ 2 152.107 -1.51
+  162.1039 C8H17ClN+ 2 162.1044 -3.38
+  166.1221 C10H16NO+ 2 166.1226 -3.11
+PK$NUM_PEAK: 10
+PK$PEAK: m/z int. rel.int.
+  67.0542 158083.3 127
+  81.0696 36738.5 29
+  100.112 1237074.6 999
+  109.1011 189581.5 153
+  124.1119 31324.4 25
+  126.1276 284830.9 230
+  128.0342 20013.4 16
+  152.1068 25326.1 20
+  162.1039 110967.6 89
+  166.1221 27385.8 22
+//
diff --git a/Eawag/MSBNK-EAWAG-ED127551.txt b/Eawag/MSBNK-EAWAG-ED127551.txt
new file mode 100644
index 0000000000..d9be479957
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED127551.txt
@@ -0,0 +1,47 @@
+ACCESSION: MSBNK-EAWAG-ED127551
+RECORD_TITLE: Oscillaginin A; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.05.01
+AUTHORS: E. Janssen [dtc], X. Wang [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 1275
+CH$NAME: Oscillaginin A
+CH$NAME: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-3-amino-10-chloro-2-hydroxydecanoyl]amino]-3-hydroxypropanoyl]-methylamino]-3-methylbutanoyl]amino]-4-(4-hydroxyphenyl)butanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C29H47ClN4O8
+CH$EXACT_MASS: 614.3082421
+CH$SMILES: CC(C)[C@@H](C(=O)N[C@@H](CCC1=CC=C(C=C1)O)C(=O)O)N(C)C(=O)[C@H](CO)NC(=O)[C@H]([C@@H](CCCCCCCCl)N)O
+CH$IUPAC: InChI=1S/C29H47ClN4O8/c1-18(2)24(26(38)32-22(29(41)42)15-12-19-10-13-20(36)14-11-19)34(3)28(40)23(17-35)33-27(39)25(37)21(31)9-7-5-4-6-8-16-30/h10-11,13-14,18,21-25,35-37H,4-9,12,15-17,31H2,1-3H3,(H,32,38)(H,33,39)(H,41,42)/t21-,22+,23+,24+,25+/m1/s1
+CH$LINK: CHEBI 198099
+CH$LINK: PUBCHEM CID:46902107
+CH$LINK: INCHIKEY QYOGCHNVZHLFTR-RYWAYVEBSA-N
+CH$LINK: CHEMSPIDER 34233455
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 64-647
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.062 min
+MS$FOCUSED_ION: BASE_PEAK 242.1752
+MS$FOCUSED_ION: PRECURSOR_M/Z 613.301
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03di-0000009000-de20b96e41940321dd47
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  583.2903 C28H44ClN4O7- 1 583.2904 -0.16
+  613.3009 C29H46ClN4O8- 1 613.301 -0.08
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  583.2903 26741 18
+  613.3009 1425909.9 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED127552.txt b/Eawag/MSBNK-EAWAG-ED127552.txt
new file mode 100644
index 0000000000..0fde5d41fd
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED127552.txt
@@ -0,0 +1,49 @@
+ACCESSION: MSBNK-EAWAG-ED127552
+RECORD_TITLE: Oscillaginin A; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.05.01
+AUTHORS: E. Janssen [dtc], X. Wang [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 1275
+CH$NAME: Oscillaginin A
+CH$NAME: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-3-amino-10-chloro-2-hydroxydecanoyl]amino]-3-hydroxypropanoyl]-methylamino]-3-methylbutanoyl]amino]-4-(4-hydroxyphenyl)butanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C29H47ClN4O8
+CH$EXACT_MASS: 614.3082421
+CH$SMILES: CC(C)[C@@H](C(=O)N[C@@H](CCC1=CC=C(C=C1)O)C(=O)O)N(C)C(=O)[C@H](CO)NC(=O)[C@H]([C@@H](CCCCCCCCl)N)O
+CH$IUPAC: InChI=1S/C29H47ClN4O8/c1-18(2)24(26(38)32-22(29(41)42)15-12-19-10-13-20(36)14-11-19)34(3)28(40)23(17-35)33-27(39)25(37)21(31)9-7-5-4-6-8-16-30/h10-11,13-14,18,21-25,35-37H,4-9,12,15-17,31H2,1-3H3,(H,32,38)(H,33,39)(H,41,42)/t21-,22+,23+,24+,25+/m1/s1
+CH$LINK: CHEBI 198099
+CH$LINK: PUBCHEM CID:46902107
+CH$LINK: INCHIKEY QYOGCHNVZHLFTR-RYWAYVEBSA-N
+CH$LINK: CHEMSPIDER 34233455
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 64-647
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.062 min
+MS$FOCUSED_ION: BASE_PEAK 242.1752
+MS$FOCUSED_ION: PRECURSOR_M/Z 613.301
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03di-0000029000-88ce98537d9bb63d325c
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  547.3136 C28H43N4O7- 1 547.3137 -0.27
+  583.2906 C28H44ClN4O7- 1 583.2904 0.37
+  613.3007 C29H46ClN4O8- 1 613.301 -0.48
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  547.3136 55875.4 61
+  583.2906 177275.9 195
+  613.3007 907278.8 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED127553.txt b/Eawag/MSBNK-EAWAG-ED127553.txt
new file mode 100644
index 0000000000..c17f501fc0
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED127553.txt
@@ -0,0 +1,53 @@
+ACCESSION: MSBNK-EAWAG-ED127553
+RECORD_TITLE: Oscillaginin A; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.05.01
+AUTHORS: E. Janssen [dtc], X. Wang [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 1275
+CH$NAME: Oscillaginin A
+CH$NAME: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-3-amino-10-chloro-2-hydroxydecanoyl]amino]-3-hydroxypropanoyl]-methylamino]-3-methylbutanoyl]amino]-4-(4-hydroxyphenyl)butanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C29H47ClN4O8
+CH$EXACT_MASS: 614.3082421
+CH$SMILES: CC(C)[C@@H](C(=O)N[C@@H](CCC1=CC=C(C=C1)O)C(=O)O)N(C)C(=O)[C@H](CO)NC(=O)[C@H]([C@@H](CCCCCCCCl)N)O
+CH$IUPAC: InChI=1S/C29H47ClN4O8/c1-18(2)24(26(38)32-22(29(41)42)15-12-19-10-13-20(36)14-11-19)34(3)28(40)23(17-35)33-27(39)25(37)21(31)9-7-5-4-6-8-16-30/h10-11,13-14,18,21-25,35-37H,4-9,12,15-17,31H2,1-3H3,(H,32,38)(H,33,39)(H,41,42)/t21-,22+,23+,24+,25+/m1/s1
+CH$LINK: CHEBI 198099
+CH$LINK: PUBCHEM CID:46902107
+CH$LINK: INCHIKEY QYOGCHNVZHLFTR-RYWAYVEBSA-N
+CH$LINK: CHEMSPIDER 34233455
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 64-647
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.062 min
+MS$FOCUSED_ION: BASE_PEAK 242.1752
+MS$FOCUSED_ION: PRECURSOR_M/Z 613.301
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03e9-0000096000-616b4e168f2b7c72c0b1
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  180.0662 C9H10NO3- 2 180.0666 -2.52
+  307.1659 C16H23N2O4- 2 307.1663 -1.41
+  547.3138 C28H43N4O7- 1 547.3137 0.17
+  583.2903 C28H44ClN4O7- 1 583.2904 -0.16
+  613.3005 C29H46ClN4O8- 1 613.301 -0.68
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  180.0662 21675.4 52
+  307.1659 20811.1 50
+  547.3138 179523.6 431
+  583.2903 410874.5 987
+  613.3005 415700.7 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED127554.txt b/Eawag/MSBNK-EAWAG-ED127554.txt
new file mode 100644
index 0000000000..0a655e2317
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED127554.txt
@@ -0,0 +1,53 @@
+ACCESSION: MSBNK-EAWAG-ED127554
+RECORD_TITLE: Oscillaginin A; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.05.01
+AUTHORS: E. Janssen [dtc], X. Wang [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 1275
+CH$NAME: Oscillaginin A
+CH$NAME: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-3-amino-10-chloro-2-hydroxydecanoyl]amino]-3-hydroxypropanoyl]-methylamino]-3-methylbutanoyl]amino]-4-(4-hydroxyphenyl)butanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C29H47ClN4O8
+CH$EXACT_MASS: 614.3082421
+CH$SMILES: CC(C)[C@@H](C(=O)N[C@@H](CCC1=CC=C(C=C1)O)C(=O)O)N(C)C(=O)[C@H](CO)NC(=O)[C@H]([C@@H](CCCCCCCCl)N)O
+CH$IUPAC: InChI=1S/C29H47ClN4O8/c1-18(2)24(26(38)32-22(29(41)42)15-12-19-10-13-20(36)14-11-19)34(3)28(40)23(17-35)33-27(39)25(37)21(31)9-7-5-4-6-8-16-30/h10-11,13-14,18,21-25,35-37H,4-9,12,15-17,31H2,1-3H3,(H,32,38)(H,33,39)(H,41,42)/t21-,22+,23+,24+,25+/m1/s1
+CH$LINK: CHEBI 198099
+CH$LINK: PUBCHEM CID:46902107
+CH$LINK: INCHIKEY QYOGCHNVZHLFTR-RYWAYVEBSA-N
+CH$LINK: CHEMSPIDER 34233455
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 64-647
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.062 min
+MS$FOCUSED_ION: BASE_PEAK 242.1752
+MS$FOCUSED_ION: PRECURSOR_M/Z 613.301
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-001j-0100091000-1d580de1db524be135fd
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  180.0659 C9H10NO3- 2 180.0666 -4.13
+  402.2152 C22H30N2O5- 4 402.216 -2.12
+  547.3135 C28H43N4O7- 1 547.3137 -0.39
+  583.2898 C28H44ClN4O7- 1 583.2904 -1.1
+  613.2993 C29H46ClN4O8- 1 613.301 -2.77
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  180.0659 59551.8 233
+  402.2152 32770.5 128
+  547.3135 198783.8 780
+  583.2898 254421.5 999
+  613.2993 55834 219
+//
diff --git a/Eawag/MSBNK-EAWAG-ED127555.txt b/Eawag/MSBNK-EAWAG-ED127555.txt
new file mode 100644
index 0000000000..296cd5af05
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED127555.txt
@@ -0,0 +1,53 @@
+ACCESSION: MSBNK-EAWAG-ED127555
+RECORD_TITLE: Oscillaginin A; LC-ESI-QFT; MS2; CE: 35%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.05.01
+AUTHORS: E. Janssen [dtc], X. Wang [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 1275
+CH$NAME: Oscillaginin A
+CH$NAME: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-3-amino-10-chloro-2-hydroxydecanoyl]amino]-3-hydroxypropanoyl]-methylamino]-3-methylbutanoyl]amino]-4-(4-hydroxyphenyl)butanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C29H47ClN4O8
+CH$EXACT_MASS: 614.3082421
+CH$SMILES: CC(C)[C@@H](C(=O)N[C@@H](CCC1=CC=C(C=C1)O)C(=O)O)N(C)C(=O)[C@H](CO)NC(=O)[C@H]([C@@H](CCCCCCCCl)N)O
+CH$IUPAC: InChI=1S/C29H47ClN4O8/c1-18(2)24(26(38)32-22(29(41)42)15-12-19-10-13-20(36)14-11-19)34(3)28(40)23(17-35)33-27(39)25(37)21(31)9-7-5-4-6-8-16-30/h10-11,13-14,18,21-25,35-37H,4-9,12,15-17,31H2,1-3H3,(H,32,38)(H,33,39)(H,41,42)/t21-,22+,23+,24+,25+/m1/s1
+CH$LINK: CHEBI 198099
+CH$LINK: PUBCHEM CID:46902107
+CH$LINK: INCHIKEY QYOGCHNVZHLFTR-RYWAYVEBSA-N
+CH$LINK: CHEMSPIDER 34233455
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 35 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 64-647
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.062 min
+MS$FOCUSED_ION: BASE_PEAK 242.1752
+MS$FOCUSED_ION: PRECURSOR_M/Z 613.301
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-001j-0903150000-4513fc827e1d4ec3446e
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  180.0662 C9H10NO3- 2 180.0666 -2.52
+  183.1134 C9H15N2O2- 1 183.1139 -2.83
+  307.1661 C16H23N2O4- 2 307.1663 -0.71
+  441.2709 C21H37N4O6- 2 441.2719 -2.25
+  547.3134 C28H43N4O7- 1 547.3137 -0.61
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  180.0662 123233.3 999
+  183.1134 73521.5 596
+  307.1661 67411.3 546
+  441.2709 22953.5 186
+  547.3134 122105.4 989
+//
diff --git a/Eawag/MSBNK-EAWAG-ED127556.txt b/Eawag/MSBNK-EAWAG-ED127556.txt
new file mode 100644
index 0000000000..a97712310f
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED127556.txt
@@ -0,0 +1,53 @@
+ACCESSION: MSBNK-EAWAG-ED127556
+RECORD_TITLE: Oscillaginin A; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.05.01
+AUTHORS: E. Janssen [dtc], X. Wang [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 1275
+CH$NAME: Oscillaginin A
+CH$NAME: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-3-amino-10-chloro-2-hydroxydecanoyl]amino]-3-hydroxypropanoyl]-methylamino]-3-methylbutanoyl]amino]-4-(4-hydroxyphenyl)butanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C29H47ClN4O8
+CH$EXACT_MASS: 614.3082421
+CH$SMILES: CC(C)[C@@H](C(=O)N[C@@H](CCC1=CC=C(C=C1)O)C(=O)O)N(C)C(=O)[C@H](CO)NC(=O)[C@H]([C@@H](CCCCCCCCl)N)O
+CH$IUPAC: InChI=1S/C29H47ClN4O8/c1-18(2)24(26(38)32-22(29(41)42)15-12-19-10-13-20(36)14-11-19)34(3)28(40)23(17-35)33-27(39)25(37)21(31)9-7-5-4-6-8-16-30/h10-11,13-14,18,21-25,35-37H,4-9,12,15-17,31H2,1-3H3,(H,32,38)(H,33,39)(H,41,42)/t21-,22+,23+,24+,25+/m1/s1
+CH$LINK: CHEBI 198099
+CH$LINK: PUBCHEM CID:46902107
+CH$LINK: INCHIKEY QYOGCHNVZHLFTR-RYWAYVEBSA-N
+CH$LINK: CHEMSPIDER 34233455
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 64-647
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.062 min
+MS$FOCUSED_ION: BASE_PEAK 242.1752
+MS$FOCUSED_ION: PRECURSOR_M/Z 613.301
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-001i-0914000000-cd3416c22ef81682fe90
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  163.0398 C9H7O3- 3 163.0401 -1.47
+  180.0659 C9H10NO3- 2 180.0666 -4.13
+  263.1756 C15H23N2O2- 2 263.1765 -3.38
+  307.1661 C16H23N2O4- 2 307.1663 -0.71
+  366.237 C13H37ClN3O6- 3 366.2376 -1.79
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  163.0398 16463.3 95
+  180.0659 171582.7 999
+  263.1756 23949.3 139
+  307.1661 81264.5 473
+  366.237 22363.4 130
+//
diff --git a/Eawag/MSBNK-EAWAG-ED127557.txt b/Eawag/MSBNK-EAWAG-ED127557.txt
new file mode 100644
index 0000000000..fbe41b0a44
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED127557.txt
@@ -0,0 +1,59 @@
+ACCESSION: MSBNK-EAWAG-ED127557
+RECORD_TITLE: Oscillaginin A; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.05.01
+AUTHORS: E. Janssen [dtc], X. Wang [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 1275
+CH$NAME: Oscillaginin A
+CH$NAME: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-3-amino-10-chloro-2-hydroxydecanoyl]amino]-3-hydroxypropanoyl]-methylamino]-3-methylbutanoyl]amino]-4-(4-hydroxyphenyl)butanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C29H47ClN4O8
+CH$EXACT_MASS: 614.3082421
+CH$SMILES: CC(C)[C@@H](C(=O)N[C@@H](CCC1=CC=C(C=C1)O)C(=O)O)N(C)C(=O)[C@H](CO)NC(=O)[C@H]([C@@H](CCCCCCCCl)N)O
+CH$IUPAC: InChI=1S/C29H47ClN4O8/c1-18(2)24(26(38)32-22(29(41)42)15-12-19-10-13-20(36)14-11-19)34(3)28(40)23(17-35)33-27(39)25(37)21(31)9-7-5-4-6-8-16-30/h10-11,13-14,18,21-25,35-37H,4-9,12,15-17,31H2,1-3H3,(H,32,38)(H,33,39)(H,41,42)/t21-,22+,23+,24+,25+/m1/s1
+CH$LINK: CHEBI 198099
+CH$LINK: PUBCHEM CID:46902107
+CH$LINK: INCHIKEY QYOGCHNVZHLFTR-RYWAYVEBSA-N
+CH$LINK: CHEMSPIDER 34233455
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 64-647
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.062 min
+MS$FOCUSED_ION: BASE_PEAK 242.1752
+MS$FOCUSED_ION: PRECURSOR_M/Z 613.301
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-001i-1910000000-494129292bdf3fdbaae0
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  74.0249 C2H4NO2- 1 74.0248 2.11
+  87.0563 C3H7N2O- 1 87.0564 -1.16
+  144.103 C7H14NO2- 2 144.103 0.15
+  163.0397 C9H7O3- 2 163.0401 -2.22
+  180.0661 C9H10NO3- 2 180.0666 -2.94
+  183.1132 C9H15N2O2- 1 183.1139 -3.91
+  263.1755 C15H23N2O2- 2 263.1765 -3.96
+  307.166 C16H23N2O4- 2 307.1663 -1.21
+PK$NUM_PEAK: 8
+PK$PEAK: m/z int. rel.int.
+  74.0249 10707.3 73
+  87.0563 20015.3 137
+  144.103 20575 141
+  163.0397 34362.6 236
+  180.0661 145057.3 999
+  183.1132 65371.2 450
+  263.1755 36406.2 250
+  307.166 24009.5 165
+//
diff --git a/Eawag/MSBNK-EAWAG-ED128201.txt b/Eawag/MSBNK-EAWAG-ED128201.txt
new file mode 100644
index 0000000000..2f7a0045b0
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED128201.txt
@@ -0,0 +1,60 @@
+ACCESSION: MSBNK-EAWAG-ED128201
+RECORD_TITLE: Namalide B; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1093/femsec/fiaa243
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1282
+CH$NAME: Namalide B
+CH$NAME: (2S,3R)-2-[[(3S,6S,9R)-6-[(2S)-butan-2-yl]-3-[2-(4-hydroxyphenyl)ethyl]-2,5,8-trioxo-1,4,7-triazacyclotridec-9-yl]carbamoylamino]-3-methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C29H45N5O7
+CH$EXACT_MASS: 575.3318988
+CH$SMILES: CC[C@@H]([C@H]1C(N[C@@H](CCC2=CC=C(O)C=C2)C(NCCCC[C@@H](NC(N[C@@H]([C@@H](CC)C)C(O)=O)=O)C(N1)=O)=O)=O)C
+CH$IUPAC: InChI=1S/C29H45N5O7/c1-5-17(3)23-27(38)31-22(15-12-19-10-13-20(35)14-11-19)25(36)30-16-8-7-9-21(26(37)33-23)32-29(41)34-24(28(39)40)18(4)6-2/h10-11,13-14,17-18,21-24,35H,5-9,12,15-16H2,1-4H3,(H,30,36)(H,31,38)(H,33,37)(H,39,40)(H2,32,34,41)/t17-,18+,21+,22-,23-,24-/m0/s1
+CH$LINK: PUBCHEM CID:155801647
+CH$LINK: INCHIKEY BEGARHAEPVBWAE-NSDNVYNZSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 60-609
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.874 min
+MS$FOCUSED_ION: BASE_PEAK 576.3384
+MS$FOCUSED_ION: PRECURSOR_M/Z 576.3392
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-004i-0000290000-88d94f01235e097fc640
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  84.0807 C5H10N+ 1 84.0808 -0.84
+  291.1691 C16H23N2O3+ 3 291.1703 -4.26
+  350.1702 C17H24N3O5+ 1 350.171 -2.47
+  419.2645 C22H35N4O4+ 2 419.2653 -1.98
+  435.2597 C22H35N4O5+ 2 435.2602 -1.22
+  445.2441 C23H33N4O5+ 2 445.2445 -0.95
+  463.2545 C23H35N4O6+ 2 463.2551 -1.29
+  548.3433 C28H46N5O6+ 1 548.3443 -1.73
+  576.3384 C29H46N5O7+ 1 576.3392 -1.3
+PK$NUM_PEAK: 9
+PK$PEAK: m/z int. rel.int.
+  84.0807 4257311.5 54
+  291.1691 1098840 14
+  350.1702 1809518.2 23
+  419.2645 6300422 80
+  435.2597 2069106.2 26
+  445.2441 5243579.5 66
+  463.2545 7720936.5 98
+  548.3433 15959715 203
+  576.3384 78351784 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED128202.txt b/Eawag/MSBNK-EAWAG-ED128202.txt
new file mode 100644
index 0000000000..6bd34344cb
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED128202.txt
@@ -0,0 +1,92 @@
+ACCESSION: MSBNK-EAWAG-ED128202
+RECORD_TITLE: Namalide B; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1093/femsec/fiaa243
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1282
+CH$NAME: Namalide B
+CH$NAME: (2S,3R)-2-[[(3S,6S,9R)-6-[(2S)-butan-2-yl]-3-[2-(4-hydroxyphenyl)ethyl]-2,5,8-trioxo-1,4,7-triazacyclotridec-9-yl]carbamoylamino]-3-methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C29H45N5O7
+CH$EXACT_MASS: 575.3318988
+CH$SMILES: CC[C@@H]([C@H]1C(N[C@@H](CCC2=CC=C(O)C=C2)C(NCCCC[C@@H](NC(N[C@@H]([C@@H](CC)C)C(O)=O)=O)C(N1)=O)=O)=O)C
+CH$IUPAC: InChI=1S/C29H45N5O7/c1-5-17(3)23-27(38)31-22(15-12-19-10-13-20(35)14-11-19)25(36)30-16-8-7-9-21(26(37)33-23)32-29(41)34-24(28(39)40)18(4)6-2/h10-11,13-14,17-18,21-24,35H,5-9,12,15-16H2,1-4H3,(H,30,36)(H,31,38)(H,33,37)(H,39,40)(H2,32,34,41)/t17-,18+,21+,22-,23-,24-/m0/s1
+CH$LINK: PUBCHEM CID:155801647
+CH$LINK: INCHIKEY BEGARHAEPVBWAE-NSDNVYNZSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 60-609
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.874 min
+MS$FOCUSED_ION: BASE_PEAK 576.3384
+MS$FOCUSED_ION: PRECURSOR_M/Z 576.3392
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-01ta-1021790000-b2841fbea98a2066b832
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  84.0808 C5H10N+ 1 84.0808 -0.02
+  129.1018 C6H13N2O+ 1 129.1022 -3.5
+  147.1127 C6H15N2O2+ 1 147.1128 -0.43
+  150.0911 C9H12NO+ 1 150.0913 -1.34
+  190.1187 C7H16N3O3+ 1 190.1186 0.58
+  227.175 C10H21N5O+ 2 227.1741 4.19
+  261.1592 C15H21N2O2+ 2 261.1598 -1.99
+  268.1662 C13H22N3O3+ 2 268.1656 2.2
+  286.1748 C13H24N3O4+ 2 286.1761 -4.77
+  291.1699 C16H23N2O3+ 2 291.1703 -1.54
+  324.1921 C16H26N3O4+ 2 324.1918 1.11
+  350.1707 C17H24N3O5+ 2 350.171 -0.9
+  381.2485 C19H33N4O4+ 2 381.2496 -3.05
+  391.2709 C21H35N4O3+ 3 391.2704 1.3
+  399.2595 C19H35N4O5+ 1 399.2602 -1.66
+  417.2496 C22H33N4O4+ 2 417.2496 0.03
+  419.265 C22H35N4O4+ 2 419.2653 -0.67
+  435.2598 C22H35N4O5+ 2 435.2602 -0.94
+  445.244 C23H33N4O5+ 2 445.2445 -1.15
+  463.2548 C23H35N4O6+ 2 463.2551 -0.63
+  505.3396 C27H45N4O5+ 1 505.3384 2.28
+  531.3157 C28H43N4O6+ 1 531.3177 -3.81
+  548.3438 C28H46N5O6+ 1 548.3443 -0.84
+  558.3277 C29H44N5O6+ 1 558.3286 -1.62
+  576.3389 C29H46N5O7+ 1 576.3392 -0.45
+PK$NUM_PEAK: 25
+PK$PEAK: m/z int. rel.int.
+  84.0808 8554117 370
+  129.1018 525564.6 22
+  147.1127 334519.7 14
+  150.0911 691746.5 29
+  190.1187 304609.2 13
+  227.175 796194.4 34
+  261.1592 5266783 228
+  268.1662 280675.5 12
+  286.1748 689392 29
+  291.1699 2604242.2 112
+  324.1921 322220.1 13
+  350.1707 4829456.5 209
+  381.2485 429886.6 18
+  391.2709 695650.9 30
+  399.2595 1541626.8 66
+  417.2496 4212070 182
+  419.265 5415207.5 234
+  435.2598 5309618.5 229
+  445.244 5621590.5 243
+  463.2548 16721841 724
+  505.3396 1381633.9 59
+  531.3157 426667.5 18
+  548.3438 16937566 733
+  558.3277 886981.3 38
+  576.3389 23072700 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED128203.txt b/Eawag/MSBNK-EAWAG-ED128203.txt
new file mode 100644
index 0000000000..557aecc086
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED128203.txt
@@ -0,0 +1,110 @@
+ACCESSION: MSBNK-EAWAG-ED128203
+RECORD_TITLE: Namalide B; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1093/femsec/fiaa243
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1282
+CH$NAME: Namalide B
+CH$NAME: (2S,3R)-2-[[(3S,6S,9R)-6-[(2S)-butan-2-yl]-3-[2-(4-hydroxyphenyl)ethyl]-2,5,8-trioxo-1,4,7-triazacyclotridec-9-yl]carbamoylamino]-3-methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C29H45N5O7
+CH$EXACT_MASS: 575.3318988
+CH$SMILES: CC[C@@H]([C@H]1C(N[C@@H](CCC2=CC=C(O)C=C2)C(NCCCC[C@@H](NC(N[C@@H]([C@@H](CC)C)C(O)=O)=O)C(N1)=O)=O)=O)C
+CH$IUPAC: InChI=1S/C29H45N5O7/c1-5-17(3)23-27(38)31-22(15-12-19-10-13-20(35)14-11-19)25(36)30-16-8-7-9-21(26(37)33-23)32-29(41)34-24(28(39)40)18(4)6-2/h10-11,13-14,17-18,21-24,35H,5-9,12,15-16H2,1-4H3,(H,30,36)(H,31,38)(H,33,37)(H,39,40)(H2,32,34,41)/t17-,18+,21+,22-,23-,24-/m0/s1
+CH$LINK: PUBCHEM CID:155801647
+CH$LINK: INCHIKEY BEGARHAEPVBWAE-NSDNVYNZSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 60-609
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.874 min
+MS$FOCUSED_ION: BASE_PEAK 576.3384
+MS$FOCUSED_ION: PRECURSOR_M/Z 576.3392
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03di-2153930000-a8d4b30a330b5b0bf280
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  84.0808 C5H10N+ 1 84.0808 -0.29
+  86.0965 C5H12N+ 1 86.0964 0.53
+  101.1073 C5H13N2+ 1 101.1073 -0.11
+  129.102 C6H13N2O+ 1 129.1022 -1.61
+  132.102 C6H14NO2+ 1 132.1019 0.56
+  150.0912 C9H12NO+ 1 150.0913 -1.03
+  154.1589 C10H20N+ 1 154.159 -0.81
+  190.1179 C7H16N3O3+ 1 190.1186 -3.99
+  227.1746 C10H21N5O+ 2 227.1741 2.24
+  240.1703 C12H22N3O2+ 1 240.1707 -1.61
+  250.1541 C13H20N3O2+ 1 250.155 -3.51
+  258.1806 C12H24N3O3+ 1 258.1812 -2.22
+  261.1592 C15H21N2O2+ 2 261.1598 -2.11
+  263.175 C15H23N2O2+ 2 263.1754 -1.46
+  286.1759 C13H24N3O4+ 1 286.1761 -0.72
+  291.1697 C16H23N2O3+ 2 291.1703 -2.27
+  311.2074 C15H27N4O3+ 2 311.2078 -1.33
+  324.1912 C16H26N3O4+ 1 324.1918 -1.81
+  331.2376 C20H31N2O2+ 2 331.238 -1.3
+  350.1707 C17H24N3O5+ 2 350.171 -0.99
+  359.232 C19H29N5O2+ 3 359.2316 1.13
+  371.2653 C18H35N4O4+ 2 371.2653 -0.01
+  391.2684 C21H35N4O3+ 3 391.2704 -4.94
+  399.2594 C19H35N4O5+ 1 399.2602 -2.05
+  401.2535 C21H37O7+ 3 401.2534 0.36
+  417.2494 C22H33N4O4+ 2 417.2496 -0.63
+  419.2648 C22H35N4O4+ 2 419.2653 -1.04
+  435.2597 C22H35N4O5+ 2 435.2602 -1.15
+  445.2443 C23H33N4O5+ 2 445.2445 -0.61
+  463.2546 C23H35N4O6+ 2 463.2551 -1.02
+  505.337 C27H45N4O5+ 1 505.3384 -2.8
+  531.317 C28H43N4O6+ 1 531.3177 -1.28
+  548.3436 C28H46N5O6+ 1 548.3443 -1.18
+  576.339 C29H46N5O7+ 1 576.3392 -0.24
+PK$NUM_PEAK: 34
+PK$PEAK: m/z int. rel.int.
+  84.0808 11990955 789
+  86.0965 710516.7 46
+  101.1073 300545.5 19
+  129.102 1785992.6 117
+  132.102 291657.5 19
+  150.0912 1503005 99
+  154.1589 288610.1 19
+  190.1179 718049.1 47
+  227.1746 914142.9 60
+  240.1703 387736.7 25
+  250.1541 728612 48
+  258.1806 1279477.6 84
+  261.1592 9244419 609
+  263.175 3004601.2 197
+  286.1759 1433879.4 94
+  291.1697 5053718.5 332
+  311.2074 394455.8 25
+  324.1912 497213.4 32
+  331.2376 1020206.5 67
+  350.1707 7695266.5 506
+  359.232 1390582.4 91
+  371.2653 526570.5 34
+  391.2684 1138464.2 75
+  399.2594 1989438.1 131
+  401.2535 603837.6 39
+  417.2494 7699349 507
+  419.2648 2812811.5 185
+  435.2597 8567405 564
+  445.2443 3697393 243
+  463.2546 15164237 999
+  505.337 1919967.5 126
+  531.317 526317.4 34
+  548.3436 7433523 489
+  576.339 4946815.5 325
+//
diff --git a/Eawag/MSBNK-EAWAG-ED128204.txt b/Eawag/MSBNK-EAWAG-ED128204.txt
new file mode 100644
index 0000000000..5067380c14
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED128204.txt
@@ -0,0 +1,112 @@
+ACCESSION: MSBNK-EAWAG-ED128204
+RECORD_TITLE: Namalide B; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1093/femsec/fiaa243
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1282
+CH$NAME: Namalide B
+CH$NAME: (2S,3R)-2-[[(3S,6S,9R)-6-[(2S)-butan-2-yl]-3-[2-(4-hydroxyphenyl)ethyl]-2,5,8-trioxo-1,4,7-triazacyclotridec-9-yl]carbamoylamino]-3-methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C29H45N5O7
+CH$EXACT_MASS: 575.3318988
+CH$SMILES: CC[C@@H]([C@H]1C(N[C@@H](CCC2=CC=C(O)C=C2)C(NCCCC[C@@H](NC(N[C@@H]([C@@H](CC)C)C(O)=O)=O)C(N1)=O)=O)=O)C
+CH$IUPAC: InChI=1S/C29H45N5O7/c1-5-17(3)23-27(38)31-22(15-12-19-10-13-20(35)14-11-19)25(36)30-16-8-7-9-21(26(37)33-23)32-29(41)34-24(28(39)40)18(4)6-2/h10-11,13-14,17-18,21-24,35H,5-9,12,15-16H2,1-4H3,(H,30,36)(H,31,38)(H,33,37)(H,39,40)(H2,32,34,41)/t17-,18+,21+,22-,23-,24-/m0/s1
+CH$LINK: PUBCHEM CID:155801647
+CH$LINK: INCHIKEY BEGARHAEPVBWAE-NSDNVYNZSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 60-609
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.874 min
+MS$FOCUSED_ION: BASE_PEAK 576.3384
+MS$FOCUSED_ION: PRECURSOR_M/Z 576.3392
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0il0-5396700000-d29f5c6ce950b7ecabc2
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  84.0808 C5H10N+ 1 84.0808 -0.02
+  86.0965 C5H12N+ 1 86.0964 0.44
+  101.1071 C5H13N2+ 1 101.1073 -2.37
+  129.102 C6H13N2O+ 1 129.1022 -1.49
+  132.1015 C6H14NO2+ 1 132.1019 -2.91
+  147.1128 C6H15N2O2+ 1 147.1128 -0.12
+  150.0912 C9H12NO+ 1 150.0913 -0.93
+  154.1592 C10H20N+ 1 154.159 1.07
+  155.081 C7H11N2O2+ 1 155.0815 -3.4
+  173.0917 C7H13N2O3+ 1 173.0921 -2.23
+  197.1647 C11H21N2O+ 1 197.1648 -0.46
+  199.1798 C11H23N2O+ 2 199.1805 -3.65
+  218.1532 C14H20NO+ 2 218.1539 -3.33
+  240.1697 C12H22N3O2+ 1 240.1707 -3.89
+  250.1541 C13H20N3O2+ 1 250.155 -3.69
+  258.1804 C12H24N3O3+ 1 258.1812 -3.28
+  261.1592 C15H21N2O2+ 2 261.1598 -2.23
+  263.1748 C15H23N2O2+ 2 263.1754 -2.27
+  268.1659 C13H22N3O3+ 2 268.1656 1.29
+  286.1753 C13H24N3O4+ 1 286.1761 -2.96
+  291.1697 C16H23N2O3+ 2 291.1703 -1.96
+  304.1656 C16H22N3O3+ 2 304.1656 0.24
+  311.2073 C15H27N4O3+ 2 311.2078 -1.63
+  314.1496 C17H20N3O3+ 1 314.1499 -1.03
+  331.2375 C20H31N2O2+ 2 331.238 -1.49
+  350.1707 C17H24N3O5+ 2 350.171 -1.07
+  359.2314 C19H29N5O2+ 3 359.2316 -0.48
+  381.2489 C19H33N4O4+ 1 381.2496 -1.93
+  391.2708 C21H35N4O3+ 3 391.2704 0.99
+  417.2492 C22H33N4O4+ 2 417.2496 -1.07
+  419.2655 C22H35N4O4+ 2 419.2653 0.42
+  435.2599 C22H35N4O5+ 2 435.2602 -0.73
+  445.2438 C23H33N4O5+ 2 445.2445 -1.63
+  463.2547 C23H35N4O6+ 2 463.2551 -0.82
+  505.3388 C27H45N4O5+ 1 505.3384 0.71
+PK$NUM_PEAK: 35
+PK$PEAK: m/z int. rel.int.
+  84.0808 15318690 999
+  86.0965 1741236.5 113
+  101.1071 237485.2 15
+  129.102 3469442 226
+  132.1015 413738 26
+  147.1128 536119.9 34
+  150.0912 3511035.8 228
+  154.1592 379620.8 24
+  155.081 402493.9 26
+  173.0917 1673512.2 109
+  197.1647 406980.3 26
+  199.1798 743724.4 48
+  218.1532 510947.3 33
+  240.1697 1550719.2 101
+  250.1541 1734838.9 113
+  258.1804 776613.4 50
+  261.1592 9044205 589
+  263.1748 6397306.5 417
+  268.1659 1083262.9 70
+  286.1753 1787562.9 116
+  291.1697 4732638 308
+  304.1656 431104.6 28
+  311.2073 1134220.1 73
+  314.1496 319438.6 20
+  331.2375 1808322 117
+  350.1707 12743565 831
+  359.2314 967417.9 63
+  381.2489 394924.9 25
+  391.2708 1363465.1 88
+  417.2492 6990445.5 455
+  419.2655 854446.7 55
+  435.2599 6731882 439
+  445.2438 1746061 113
+  463.2547 5649945.5 368
+  505.3388 885797.6 57
+//
diff --git a/Eawag/MSBNK-EAWAG-ED128205.txt b/Eawag/MSBNK-EAWAG-ED128205.txt
new file mode 100644
index 0000000000..ca111d27d6
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED128205.txt
@@ -0,0 +1,100 @@
+ACCESSION: MSBNK-EAWAG-ED128205
+RECORD_TITLE: Namalide B; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1093/femsec/fiaa243
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1282
+CH$NAME: Namalide B
+CH$NAME: (2S,3R)-2-[[(3S,6S,9R)-6-[(2S)-butan-2-yl]-3-[2-(4-hydroxyphenyl)ethyl]-2,5,8-trioxo-1,4,7-triazacyclotridec-9-yl]carbamoylamino]-3-methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C29H45N5O7
+CH$EXACT_MASS: 575.3318988
+CH$SMILES: CC[C@@H]([C@H]1C(N[C@@H](CCC2=CC=C(O)C=C2)C(NCCCC[C@@H](NC(N[C@@H]([C@@H](CC)C)C(O)=O)=O)C(N1)=O)=O)=O)C
+CH$IUPAC: InChI=1S/C29H45N5O7/c1-5-17(3)23-27(38)31-22(15-12-19-10-13-20(35)14-11-19)25(36)30-16-8-7-9-21(26(37)33-23)32-29(41)34-24(28(39)40)18(4)6-2/h10-11,13-14,17-18,21-24,35H,5-9,12,15-16H2,1-4H3,(H,30,36)(H,31,38)(H,33,37)(H,39,40)(H2,32,34,41)/t17-,18+,21+,22-,23-,24-/m0/s1
+CH$LINK: PUBCHEM CID:155801647
+CH$LINK: INCHIKEY BEGARHAEPVBWAE-NSDNVYNZSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 60-609
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.874 min
+MS$FOCUSED_ION: BASE_PEAK 576.3384
+MS$FOCUSED_ION: PRECURSOR_M/Z 576.3392
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0f89-9843000000-75170b0d74f4bf48ed11
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  84.0808 C5H10N+ 1 84.0808 0.16
+  86.0965 C5H12N+ 1 86.0964 0.35
+  101.1072 C5H13N2+ 1 101.1073 -1.09
+  107.0492 C7H7O+ 1 107.0491 0.28
+  129.1021 C6H13N2O+ 1 129.1022 -1.26
+  132.1019 C6H14NO2+ 1 132.1019 -0.37
+  133.0646 C9H9O+ 1 133.0648 -1.73
+  147.1124 C6H15N2O2+ 1 147.1128 -2.5
+  150.0911 C9H12NO+ 1 150.0913 -1.34
+  154.1589 C10H20N+ 1 154.159 -1.11
+  155.0816 C7H11N2O2+ 1 155.0815 0.73
+  173.0915 C7H13N2O3+ 2 173.0921 -3.29
+  197.164 C11H21N2O+ 2 197.1648 -4.25
+  199.1802 C11H23N2O+ 1 199.1805 -1.43
+  218.1534 C14H20NO+ 2 218.1539 -2.42
+  222.1593 C12H20N3O+ 1 222.1601 -3.63
+  224.1757 C12H22N3O+ 1 224.1757 -0.01
+  240.1701 C12H22N3O2+ 1 240.1707 -2.3
+  250.1542 C13H20N3O2+ 1 250.155 -3.2
+  258.1809 C12H24N3O3+ 1 258.1812 -1.39
+  261.1594 C15H21N2O2+ 2 261.1598 -1.29
+  263.1749 C15H23N2O2+ 2 263.1754 -1.93
+  268.1648 C13H22N3O3+ 1 268.1656 -2.69
+  286.1755 C13H24N3O4+ 1 286.1761 -2.21
+  311.2077 C15H27N4O3+ 3 311.2078 -0.06
+  350.1708 C17H24N3O5+ 2 350.171 -0.72
+  392.2542 C21H34N3O4+ 2 392.2544 -0.51
+  417.2501 C22H33N4O4+ 2 417.2496 1.13
+  418.2339 C22H32N3O5+ 2 418.2336 0.6
+PK$NUM_PEAK: 29
+PK$PEAK: m/z int. rel.int.
+  84.0808 26369654 999
+  86.0965 6957747.5 263
+  101.1072 310762.7 11
+  107.0492 3056575.8 115
+  129.1021 6883673 260
+  132.1019 453156.8 17
+  133.0646 471100 17
+  147.1124 516872.8 19
+  150.0911 11979286 453
+  154.1589 1581059.1 59
+  155.0816 1150532.4 43
+  173.0915 2561614.8 97
+  197.164 441156.6 16
+  199.1802 538972.7 20
+  218.1534 1652097.8 62
+  222.1593 389919.7 14
+  224.1757 559882.8 21
+  240.1701 3256356.2 123
+  250.1542 1988492.5 75
+  258.1809 432492.9 16
+  261.1594 3096159 117
+  263.1749 4374102.5 165
+  268.1648 866718.5 32
+  286.1755 1461684.9 55
+  311.2077 1298505.8 49
+  350.1708 11150949 422
+  392.2542 1506527 57
+  417.2501 1335653.8 50
+  418.2339 646415.4 24
+//
diff --git a/Eawag/MSBNK-EAWAG-ED128206.txt b/Eawag/MSBNK-EAWAG-ED128206.txt
new file mode 100644
index 0000000000..c976a133e0
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED128206.txt
@@ -0,0 +1,84 @@
+ACCESSION: MSBNK-EAWAG-ED128206
+RECORD_TITLE: Namalide B; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1093/femsec/fiaa243
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1282
+CH$NAME: Namalide B
+CH$NAME: (2S,3R)-2-[[(3S,6S,9R)-6-[(2S)-butan-2-yl]-3-[2-(4-hydroxyphenyl)ethyl]-2,5,8-trioxo-1,4,7-triazacyclotridec-9-yl]carbamoylamino]-3-methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C29H45N5O7
+CH$EXACT_MASS: 575.3318988
+CH$SMILES: CC[C@@H]([C@H]1C(N[C@@H](CCC2=CC=C(O)C=C2)C(NCCCC[C@@H](NC(N[C@@H]([C@@H](CC)C)C(O)=O)=O)C(N1)=O)=O)=O)C
+CH$IUPAC: InChI=1S/C29H45N5O7/c1-5-17(3)23-27(38)31-22(15-12-19-10-13-20(35)14-11-19)25(36)30-16-8-7-9-21(26(37)33-23)32-29(41)34-24(28(39)40)18(4)6-2/h10-11,13-14,17-18,21-24,35H,5-9,12,15-16H2,1-4H3,(H,30,36)(H,31,38)(H,33,37)(H,39,40)(H2,32,34,41)/t17-,18+,21+,22-,23-,24-/m0/s1
+CH$LINK: PUBCHEM CID:155801647
+CH$LINK: INCHIKEY BEGARHAEPVBWAE-NSDNVYNZSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 60-609
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.874 min
+MS$FOCUSED_ION: BASE_PEAK 576.3384
+MS$FOCUSED_ION: PRECURSOR_M/Z 576.3392
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-001i-9810000000-28517c96a0e6b37456ae
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  69.0698 C5H9+ 1 69.0699 -1.16
+  84.0807 C5H10N+ 1 84.0808 -0.38
+  86.0964 C5H12N+ 1 86.0964 0.09
+  107.0491 C7H7O+ 1 107.0491 -0.71
+  112.1121 C7H14N+ 1 112.1121 -0.17
+  129.102 C6H13N2O+ 1 129.1022 -1.49
+  130.0858 C6H12NO2+ 1 130.0863 -3.31
+  133.0647 C9H9O+ 1 133.0648 -0.93
+  147.1126 C6H15N2O2+ 1 147.1128 -1.47
+  150.0911 C9H12NO+ 1 150.0913 -1.64
+  154.1587 C10H20N+ 1 154.159 -2.1
+  155.0811 C7H11N2O2+ 1 155.0815 -2.52
+  173.0915 C7H13N2O3+ 2 173.0921 -3.11
+  197.1644 C11H21N2O+ 2 197.1648 -2.16
+  218.1533 C14H20NO+ 2 218.1539 -2.84
+  240.17 C12H22N3O2+ 1 240.1707 -2.62
+  250.155 C13H20N3O2+ 1 250.155 -0.09
+  261.1594 C15H21N2O2+ 2 261.1598 -1.41
+  263.1751 C15H23N2O2+ 2 263.1754 -1.12
+  268.166 C13H22N3O3+ 2 268.1656 1.63
+  350.1709 C17H24N3O5+ 2 350.171 -0.46
+PK$NUM_PEAK: 21
+PK$PEAK: m/z int. rel.int.
+  69.0698 533109.2 18
+  84.0807 29450700 999
+  86.0964 9397899 318
+  107.0491 10378756 352
+  112.1121 630587.9 21
+  129.102 7036969 238
+  130.0858 564131.2 19
+  133.0647 592500.4 20
+  147.1126 345568.4 11
+  150.0911 11720713 397
+  154.1587 1336176.9 45
+  155.0811 1969710.1 66
+  173.0915 2567109 87
+  197.1644 393227.4 13
+  218.1533 1245490.6 42
+  240.17 3040829.2 103
+  250.155 860418.8 29
+  261.1594 358381.8 12
+  263.1751 340396.5 11
+  268.166 350184.8 11
+  350.1709 1924916 65
+//
diff --git a/Eawag/MSBNK-EAWAG-ED128207.txt b/Eawag/MSBNK-EAWAG-ED128207.txt
new file mode 100644
index 0000000000..7e9999f62a
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED128207.txt
@@ -0,0 +1,72 @@
+ACCESSION: MSBNK-EAWAG-ED128207
+RECORD_TITLE: Namalide B; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1093/femsec/fiaa243
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1282
+CH$NAME: Namalide B
+CH$NAME: (2S,3R)-2-[[(3S,6S,9R)-6-[(2S)-butan-2-yl]-3-[2-(4-hydroxyphenyl)ethyl]-2,5,8-trioxo-1,4,7-triazacyclotridec-9-yl]carbamoylamino]-3-methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C29H45N5O7
+CH$EXACT_MASS: 575.3318988
+CH$SMILES: CC[C@@H]([C@H]1C(N[C@@H](CCC2=CC=C(O)C=C2)C(NCCCC[C@@H](NC(N[C@@H]([C@@H](CC)C)C(O)=O)=O)C(N1)=O)=O)=O)C
+CH$IUPAC: InChI=1S/C29H45N5O7/c1-5-17(3)23-27(38)31-22(15-12-19-10-13-20(35)14-11-19)25(36)30-16-8-7-9-21(26(37)33-23)32-29(41)34-24(28(39)40)18(4)6-2/h10-11,13-14,17-18,21-24,35H,5-9,12,15-16H2,1-4H3,(H,30,36)(H,31,38)(H,33,37)(H,39,40)(H2,32,34,41)/t17-,18+,21+,22-,23-,24-/m0/s1
+CH$LINK: PUBCHEM CID:155801647
+CH$LINK: INCHIKEY BEGARHAEPVBWAE-NSDNVYNZSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 60-609
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.874 min
+MS$FOCUSED_ION: BASE_PEAK 576.3384
+MS$FOCUSED_ION: PRECURSOR_M/Z 576.3392
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-053r-9700000000-cd12bbb4cffbc5b7ff71
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  69.0699 C5H9+ 1 69.0699 -0.28
+  84.0808 C5H10N+ 1 84.0808 -0.02
+  86.0964 C5H12N+ 1 86.0964 0.09
+  107.0491 C7H7O+ 1 107.0491 -0.22
+  111.0917 C6H11N2+ 1 111.0917 0.66
+  112.112 C7H14N+ 1 112.1121 -0.51
+  127.0865 C6H11N2O+ 1 127.0866 -0.87
+  128.0705 C6H10NO2+ 1 128.0706 -0.87
+  129.1021 C6H13N2O+ 1 129.1022 -1.02
+  133.0649 C9H9O+ 1 133.0648 0.56
+  150.0911 C9H12NO+ 1 150.0913 -1.44
+  154.1585 C10H20N+ 1 154.159 -3.29
+  155.0813 C7H11N2O2+ 1 155.0815 -1.24
+  173.0915 C7H13N2O3+ 2 173.0921 -3.03
+  240.17 C12H22N3O2+ 1 240.1707 -2.62
+PK$NUM_PEAK: 15
+PK$PEAK: m/z int. rel.int.
+  69.0699 1444980.9 40
+  84.0808 35764360 999
+  86.0964 10568594 295
+  107.0491 20107340 561
+  111.0917 456817.3 12
+  112.112 799005.6 22
+  127.0865 392946.1 10
+  128.0705 447071.8 12
+  129.1021 6459891 180
+  133.0649 716347.2 20
+  150.0911 5470319 152
+  154.1585 873724.8 24
+  155.0813 2164837.8 60
+  173.0915 1468728.4 41
+  240.17 1350011.2 37
+//
diff --git a/Eawag/MSBNK-EAWAG-ED128208.txt b/Eawag/MSBNK-EAWAG-ED128208.txt
new file mode 100644
index 0000000000..38d4b93c7a
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED128208.txt
@@ -0,0 +1,66 @@
+ACCESSION: MSBNK-EAWAG-ED128208
+RECORD_TITLE: Namalide B; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1093/femsec/fiaa243
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1282
+CH$NAME: Namalide B
+CH$NAME: (2S,3R)-2-[[(3S,6S,9R)-6-[(2S)-butan-2-yl]-3-[2-(4-hydroxyphenyl)ethyl]-2,5,8-trioxo-1,4,7-triazacyclotridec-9-yl]carbamoylamino]-3-methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C29H45N5O7
+CH$EXACT_MASS: 575.3318988
+CH$SMILES: CC[C@@H]([C@H]1C(N[C@@H](CCC2=CC=C(O)C=C2)C(NCCCC[C@@H](NC(N[C@@H]([C@@H](CC)C)C(O)=O)=O)C(N1)=O)=O)=O)C
+CH$IUPAC: InChI=1S/C29H45N5O7/c1-5-17(3)23-27(38)31-22(15-12-19-10-13-20(35)14-11-19)25(36)30-16-8-7-9-21(26(37)33-23)32-29(41)34-24(28(39)40)18(4)6-2/h10-11,13-14,17-18,21-24,35H,5-9,12,15-16H2,1-4H3,(H,30,36)(H,31,38)(H,33,37)(H,39,40)(H2,32,34,41)/t17-,18+,21+,22-,23-,24-/m0/s1
+CH$LINK: PUBCHEM CID:155801647
+CH$LINK: INCHIKEY BEGARHAEPVBWAE-NSDNVYNZSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 60-609
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.874 min
+MS$FOCUSED_ION: BASE_PEAK 576.3384
+MS$FOCUSED_ION: PRECURSOR_M/Z 576.3392
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-053r-9500000000-2c2e9ce0e28f4b36f9df
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  67.0543 C5H7+ 1 67.0542 1.17
+  69.0698 C5H9+ 1 69.0699 -0.5
+  84.0808 C5H10N+ 1 84.0808 0.07
+  86.0965 C5H12N+ 1 86.0964 0.35
+  107.0491 C7H7O+ 1 107.0491 -0.07
+  111.0918 C6H11N2+ 1 111.0917 0.87
+  112.1123 C7H14N+ 1 112.1121 2
+  128.0704 C6H10NO2+ 1 128.0706 -1.22
+  129.1021 C6H13N2O+ 1 129.1022 -1.02
+  133.0648 C9H9O+ 1 133.0648 -0.01
+  150.091 C9H12NO+ 1 150.0913 -2.05
+  155.0815 C7H11N2O2+ 1 155.0815 -0.06
+PK$NUM_PEAK: 12
+PK$PEAK: m/z int. rel.int.
+  67.0543 416472.5 10
+  69.0698 2033354.5 50
+  84.0808 40204724 999
+  86.0965 9358982 232
+  107.0491 25073096 623
+  111.0918 703576.9 17
+  112.1123 469361.8 11
+  128.0704 500278.8 12
+  129.1021 4000792 99
+  133.0648 547301.7 13
+  150.091 1168520.1 29
+  155.0815 1681556.5 41
+//
diff --git a/Eawag/MSBNK-EAWAG-ED128209.txt b/Eawag/MSBNK-EAWAG-ED128209.txt
new file mode 100644
index 0000000000..1acf7d7cd6
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED128209.txt
@@ -0,0 +1,56 @@
+ACCESSION: MSBNK-EAWAG-ED128209
+RECORD_TITLE: Namalide B; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1093/femsec/fiaa243
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1282
+CH$NAME: Namalide B
+CH$NAME: (2S,3R)-2-[[(3S,6S,9R)-6-[(2S)-butan-2-yl]-3-[2-(4-hydroxyphenyl)ethyl]-2,5,8-trioxo-1,4,7-triazacyclotridec-9-yl]carbamoylamino]-3-methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C29H45N5O7
+CH$EXACT_MASS: 575.3318988
+CH$SMILES: CC[C@@H]([C@H]1C(N[C@@H](CCC2=CC=C(O)C=C2)C(NCCCC[C@@H](NC(N[C@@H]([C@@H](CC)C)C(O)=O)=O)C(N1)=O)=O)=O)C
+CH$IUPAC: InChI=1S/C29H45N5O7/c1-5-17(3)23-27(38)31-22(15-12-19-10-13-20(35)14-11-19)25(36)30-16-8-7-9-21(26(37)33-23)32-29(41)34-24(28(39)40)18(4)6-2/h10-11,13-14,17-18,21-24,35H,5-9,12,15-16H2,1-4H3,(H,30,36)(H,31,38)(H,33,37)(H,39,40)(H2,32,34,41)/t17-,18+,21+,22-,23-,24-/m0/s1
+CH$LINK: PUBCHEM CID:155801647
+CH$LINK: INCHIKEY BEGARHAEPVBWAE-NSDNVYNZSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 60-609
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.874 min
+MS$FOCUSED_ION: BASE_PEAK 576.3384
+MS$FOCUSED_ION: PRECURSOR_M/Z 576.3392
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-053r-9500000000-ebe43911eae50f409f1a
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  67.0543 C5H7+ 1 67.0542 0.37
+  69.0699 C5H9+ 1 69.0699 -0.28
+  84.0808 C5H10N+ 1 84.0808 -0.11
+  86.0964 C5H12N+ 1 86.0964 0
+  107.0491 C7H7O+ 1 107.0491 -0.36
+  129.102 C6H13N2O+ 1 129.1022 -1.49
+  155.0809 C7H11N2O2+ 2 155.0815 -3.7
+PK$NUM_PEAK: 7
+PK$PEAK: m/z int. rel.int.
+  67.0543 809683.9 21
+  69.0699 1979574.4 51
+  84.0808 38146136 999
+  86.0964 7020191.5 183
+  107.0491 25812290 675
+  129.102 1721122.8 45
+  155.0809 696549.6 18
+//
diff --git a/Eawag/MSBNK-EAWAG-ED128251.txt b/Eawag/MSBNK-EAWAG-ED128251.txt
new file mode 100644
index 0000000000..98cd84d9ec
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED128251.txt
@@ -0,0 +1,48 @@
+ACCESSION: MSBNK-EAWAG-ED128251
+RECORD_TITLE: Namalide B; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1093/femsec/fiaa243
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1282
+CH$NAME: Namalide B
+CH$NAME: (2S,3R)-2-[[(3S,6S,9R)-6-[(2S)-butan-2-yl]-3-[2-(4-hydroxyphenyl)ethyl]-2,5,8-trioxo-1,4,7-triazacyclotridec-9-yl]carbamoylamino]-3-methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C29H45N5O7
+CH$EXACT_MASS: 575.3318988
+CH$SMILES: CC[C@@H]([C@H]1C(N[C@@H](CCC2=CC=C(O)C=C2)C(NCCCC[C@@H](NC(N[C@@H]([C@@H](CC)C)C(O)=O)=O)C(N1)=O)=O)=O)C
+CH$IUPAC: InChI=1S/C29H45N5O7/c1-5-17(3)23-27(38)31-22(15-12-19-10-13-20(35)14-11-19)25(36)30-16-8-7-9-21(26(37)33-23)32-29(41)34-24(28(39)40)18(4)6-2/h10-11,13-14,17-18,21-24,35H,5-9,12,15-16H2,1-4H3,(H,30,36)(H,31,38)(H,33,37)(H,39,40)(H2,32,34,41)/t17-,18+,21+,22-,23-,24-/m0/s1
+CH$LINK: PUBCHEM CID:155801647
+CH$LINK: INCHIKEY BEGARHAEPVBWAE-NSDNVYNZSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 60-607
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.887 min
+MS$FOCUSED_ION: BASE_PEAK 574.3247
+MS$FOCUSED_ION: PRECURSOR_M/Z 574.3246
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0006-0000920000-686013f021bd98947a63
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  443.2303 C23H31N4O5- 2 443.23 0.72
+  556.3148 C29H42N5O6- 1 556.3141 1.32
+  574.3249 C29H44N5O7- 1 574.3246 0.52
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  443.2303 82876768 999
+  556.3148 5532404.5 66
+  574.3249 21267348 256
+//
diff --git a/Eawag/MSBNK-EAWAG-ED128252.txt b/Eawag/MSBNK-EAWAG-ED128252.txt
new file mode 100644
index 0000000000..faf96373f4
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED128252.txt
@@ -0,0 +1,48 @@
+ACCESSION: MSBNK-EAWAG-ED128252
+RECORD_TITLE: Namalide B; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1093/femsec/fiaa243
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1282
+CH$NAME: Namalide B
+CH$NAME: (2S,3R)-2-[[(3S,6S,9R)-6-[(2S)-butan-2-yl]-3-[2-(4-hydroxyphenyl)ethyl]-2,5,8-trioxo-1,4,7-triazacyclotridec-9-yl]carbamoylamino]-3-methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C29H45N5O7
+CH$EXACT_MASS: 575.3318988
+CH$SMILES: CC[C@@H]([C@H]1C(N[C@@H](CCC2=CC=C(O)C=C2)C(NCCCC[C@@H](NC(N[C@@H]([C@@H](CC)C)C(O)=O)=O)C(N1)=O)=O)=O)C
+CH$IUPAC: InChI=1S/C29H45N5O7/c1-5-17(3)23-27(38)31-22(15-12-19-10-13-20(35)14-11-19)25(36)30-16-8-7-9-21(26(37)33-23)32-29(41)34-24(28(39)40)18(4)6-2/h10-11,13-14,17-18,21-24,35H,5-9,12,15-16H2,1-4H3,(H,30,36)(H,31,38)(H,33,37)(H,39,40)(H2,32,34,41)/t17-,18+,21+,22-,23-,24-/m0/s1
+CH$LINK: PUBCHEM CID:155801647
+CH$LINK: INCHIKEY BEGARHAEPVBWAE-NSDNVYNZSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 60-607
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.887 min
+MS$FOCUSED_ION: BASE_PEAK 574.3247
+MS$FOCUSED_ION: PRECURSOR_M/Z 574.3246
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0006-0000900000-bd4301ee424420091d9f
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  443.2302 C23H31N4O5- 2 443.23 0.51
+  556.3143 C29H42N5O6- 1 556.3141 0.44
+  574.3242 C29H44N5O7- 1 574.3246 -0.76
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  443.2302 108517360 999
+  556.3143 6626934.5 61
+  574.3242 2143306.5 19
+//
diff --git a/Eawag/MSBNK-EAWAG-ED128253.txt b/Eawag/MSBNK-EAWAG-ED128253.txt
new file mode 100644
index 0000000000..5cb214d6b3
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED128253.txt
@@ -0,0 +1,48 @@
+ACCESSION: MSBNK-EAWAG-ED128253
+RECORD_TITLE: Namalide B; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1093/femsec/fiaa243
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1282
+CH$NAME: Namalide B
+CH$NAME: (2S,3R)-2-[[(3S,6S,9R)-6-[(2S)-butan-2-yl]-3-[2-(4-hydroxyphenyl)ethyl]-2,5,8-trioxo-1,4,7-triazacyclotridec-9-yl]carbamoylamino]-3-methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C29H45N5O7
+CH$EXACT_MASS: 575.3318988
+CH$SMILES: CC[C@@H]([C@H]1C(N[C@@H](CCC2=CC=C(O)C=C2)C(NCCCC[C@@H](NC(N[C@@H]([C@@H](CC)C)C(O)=O)=O)C(N1)=O)=O)=O)C
+CH$IUPAC: InChI=1S/C29H45N5O7/c1-5-17(3)23-27(38)31-22(15-12-19-10-13-20(35)14-11-19)25(36)30-16-8-7-9-21(26(37)33-23)32-29(41)34-24(28(39)40)18(4)6-2/h10-11,13-14,17-18,21-24,35H,5-9,12,15-16H2,1-4H3,(H,30,36)(H,31,38)(H,33,37)(H,39,40)(H2,32,34,41)/t17-,18+,21+,22-,23-,24-/m0/s1
+CH$LINK: PUBCHEM CID:155801647
+CH$LINK: INCHIKEY BEGARHAEPVBWAE-NSDNVYNZSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 60-607
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.887 min
+MS$FOCUSED_ION: BASE_PEAK 574.3247
+MS$FOCUSED_ION: PRECURSOR_M/Z 574.3246
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0006-0000900000-5004b5d34b6e4384c1bc
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  130.0871 C6H12NO2- 1 130.0874 -1.96
+  443.2303 C23H31N4O5- 2 443.23 0.58
+  556.3144 C29H42N5O6- 1 556.3141 0.55
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  130.0871 2029408.1 17
+  443.2303 116301776 999
+  556.3144 7480899 64
+//
diff --git a/Eawag/MSBNK-EAWAG-ED128254.txt b/Eawag/MSBNK-EAWAG-ED128254.txt
new file mode 100644
index 0000000000..07091960ed
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED128254.txt
@@ -0,0 +1,50 @@
+ACCESSION: MSBNK-EAWAG-ED128254
+RECORD_TITLE: Namalide B; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1093/femsec/fiaa243
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1282
+CH$NAME: Namalide B
+CH$NAME: (2S,3R)-2-[[(3S,6S,9R)-6-[(2S)-butan-2-yl]-3-[2-(4-hydroxyphenyl)ethyl]-2,5,8-trioxo-1,4,7-triazacyclotridec-9-yl]carbamoylamino]-3-methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C29H45N5O7
+CH$EXACT_MASS: 575.3318988
+CH$SMILES: CC[C@@H]([C@H]1C(N[C@@H](CCC2=CC=C(O)C=C2)C(NCCCC[C@@H](NC(N[C@@H]([C@@H](CC)C)C(O)=O)=O)C(N1)=O)=O)=O)C
+CH$IUPAC: InChI=1S/C29H45N5O7/c1-5-17(3)23-27(38)31-22(15-12-19-10-13-20(35)14-11-19)25(36)30-16-8-7-9-21(26(37)33-23)32-29(41)34-24(28(39)40)18(4)6-2/h10-11,13-14,17-18,21-24,35H,5-9,12,15-16H2,1-4H3,(H,30,36)(H,31,38)(H,33,37)(H,39,40)(H2,32,34,41)/t17-,18+,21+,22-,23-,24-/m0/s1
+CH$LINK: PUBCHEM CID:155801647
+CH$LINK: INCHIKEY BEGARHAEPVBWAE-NSDNVYNZSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 60-607
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.887 min
+MS$FOCUSED_ION: BASE_PEAK 574.3247
+MS$FOCUSED_ION: PRECURSOR_M/Z 574.3246
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0006-0000900000-d4f9a6e1a554adbd3901
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  130.0871 C6H12NO2- 1 130.0874 -1.73
+  399.2406 C22H31N4O3- 3 399.2402 1.09
+  443.2303 C23H31N4O5- 2 443.23 0.58
+  556.3146 C29H42N5O6- 1 556.3141 0.99
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  130.0871 3552571.5 35
+  399.2406 3111329.5 31
+  443.2303 99366936 999
+  556.3146 5938998 59
+//
diff --git a/Eawag/MSBNK-EAWAG-ED128255.txt b/Eawag/MSBNK-EAWAG-ED128255.txt
new file mode 100644
index 0000000000..f0a52d0501
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED128255.txt
@@ -0,0 +1,74 @@
+ACCESSION: MSBNK-EAWAG-ED128255
+RECORD_TITLE: Namalide B; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1093/femsec/fiaa243
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1282
+CH$NAME: Namalide B
+CH$NAME: (2S,3R)-2-[[(3S,6S,9R)-6-[(2S)-butan-2-yl]-3-[2-(4-hydroxyphenyl)ethyl]-2,5,8-trioxo-1,4,7-triazacyclotridec-9-yl]carbamoylamino]-3-methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C29H45N5O7
+CH$EXACT_MASS: 575.3318988
+CH$SMILES: CC[C@@H]([C@H]1C(N[C@@H](CCC2=CC=C(O)C=C2)C(NCCCC[C@@H](NC(N[C@@H]([C@@H](CC)C)C(O)=O)=O)C(N1)=O)=O)=O)C
+CH$IUPAC: InChI=1S/C29H45N5O7/c1-5-17(3)23-27(38)31-22(15-12-19-10-13-20(35)14-11-19)25(36)30-16-8-7-9-21(26(37)33-23)32-29(41)34-24(28(39)40)18(4)6-2/h10-11,13-14,17-18,21-24,35H,5-9,12,15-16H2,1-4H3,(H,30,36)(H,31,38)(H,33,37)(H,39,40)(H2,32,34,41)/t17-,18+,21+,22-,23-,24-/m0/s1
+CH$LINK: PUBCHEM CID:155801647
+CH$LINK: INCHIKEY BEGARHAEPVBWAE-NSDNVYNZSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 60-607
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.887 min
+MS$FOCUSED_ION: BASE_PEAK 574.3247
+MS$FOCUSED_ION: PRECURSOR_M/Z 574.3246
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0006-0112900000-f94b5d82797dbbd3d84c
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  99.0199 C3H3N2O2- 1 99.02 -1.16
+  119.0501 C8H7O- 1 119.0502 -1.21
+  130.0872 C6H12NO2- 1 130.0874 -1.49
+  155.0819 C7H11N2O2- 2 155.0826 -4.21
+  219.0768 C11H11N2O3- 2 219.0775 -3.46
+  279.1822 C14H23N4O2- 2 279.1826 -1.56
+  289.1552 C16H21N2O3- 2 289.1558 -1.8
+  291.1824 C15H23N4O2- 2 291.1826 -0.7
+  306.1823 C16H24N3O3- 2 306.1823 -0.15
+  335.1731 C16H23N4O4- 2 335.1725 1.92
+  399.2401 C22H31N4O3- 3 399.2402 -0.28
+  400.2241 C22H30N3O4- 2 400.2242 -0.14
+  415.2349 C22H31N4O4- 2 415.2351 -0.52
+  417.2499 C19H35N3O7- 2 417.248 4.32
+  443.2302 C23H31N4O5- 2 443.23 0.51
+  556.3144 C29H42N5O6- 1 556.3141 0.66
+PK$NUM_PEAK: 16
+PK$PEAK: m/z int. rel.int.
+  99.0199 839797.9 21
+  119.0501 1289401.8 33
+  130.0872 5377173 140
+  155.0819 1485024.4 38
+  219.0768 1101205.5 28
+  279.1822 3457936 90
+  289.1552 1847075.9 48
+  291.1824 751057.6 19
+  306.1823 1191382.2 31
+  335.1731 430559 11
+  399.2401 9792644 256
+  400.2241 5204060.5 136
+  415.2349 662164.6 17
+  417.2499 719283.9 18
+  443.2302 38210328 999
+  556.3144 1216843.6 31
+//
diff --git a/Eawag/MSBNK-EAWAG-ED128256.txt b/Eawag/MSBNK-EAWAG-ED128256.txt
new file mode 100644
index 0000000000..dcd9eb36ff
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED128256.txt
@@ -0,0 +1,102 @@
+ACCESSION: MSBNK-EAWAG-ED128256
+RECORD_TITLE: Namalide B; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1093/femsec/fiaa243
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1282
+CH$NAME: Namalide B
+CH$NAME: (2S,3R)-2-[[(3S,6S,9R)-6-[(2S)-butan-2-yl]-3-[2-(4-hydroxyphenyl)ethyl]-2,5,8-trioxo-1,4,7-triazacyclotridec-9-yl]carbamoylamino]-3-methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C29H45N5O7
+CH$EXACT_MASS: 575.3318988
+CH$SMILES: CC[C@@H]([C@H]1C(N[C@@H](CCC2=CC=C(O)C=C2)C(NCCCC[C@@H](NC(N[C@@H]([C@@H](CC)C)C(O)=O)=O)C(N1)=O)=O)=O)C
+CH$IUPAC: InChI=1S/C29H45N5O7/c1-5-17(3)23-27(38)31-22(15-12-19-10-13-20(35)14-11-19)25(36)30-16-8-7-9-21(26(37)33-23)32-29(41)34-24(28(39)40)18(4)6-2/h10-11,13-14,17-18,21-24,35H,5-9,12,15-16H2,1-4H3,(H,30,36)(H,31,38)(H,33,37)(H,39,40)(H2,32,34,41)/t17-,18+,21+,22-,23-,24-/m0/s1
+CH$LINK: PUBCHEM CID:155801647
+CH$LINK: INCHIKEY BEGARHAEPVBWAE-NSDNVYNZSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 60-607
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.887 min
+MS$FOCUSED_ION: BASE_PEAK 574.3247
+MS$FOCUSED_ION: PRECURSOR_M/Z 574.3246
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0564-1973400000-29d4abf4560758e8a5e6
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  97.0043 C3HN2O2- 1 97.0044 -0.16
+  99.0199 C3H3N2O2- 1 99.02 -0.7
+  110.0613 C6H8NO- 1 110.0611 1.04
+  111.0203 C4H3N2O2- 1 111.02 2.97
+  113.0357 C4H5N2O2- 1 113.0357 0.08
+  119.0501 C8H7O- 1 119.0502 -1.02
+  130.0872 C6H12NO2- 1 130.0874 -1.14
+  153.0669 C7H9N2O2- 1 153.067 -0.26
+  154.0983 C7H12N3O- 1 154.0986 -1.74
+  155.082 C7H11N2O2- 2 155.0826 -3.72
+  155.1184 C8H15N2O- 1 155.119 -3.58
+  166.0861 C7H10N4O- 1 166.086 0.33
+  169.0978 C8H13N2O2- 1 169.0983 -2.46
+  180.0774 C8H10N3O2- 1 180.0779 -2.73
+  219.0768 C11H11N2O3- 2 219.0775 -3.39
+  222.1612 C12H20N3O- 1 222.1612 0.03
+  245.166 C15H21N2O- 1 245.1659 0.26
+  261.1607 C15H21N2O2- 2 261.1609 -0.43
+  274.1556 C15H20N3O2- 1 274.1561 -1.89
+  276.1718 C15H22N3O2- 2 276.1718 0.16
+  279.1825 C14H23N4O2- 2 279.1826 -0.57
+  286.1557 C16H20N3O2- 1 286.1561 -1.54
+  289.1555 C16H21N2O3- 2 289.1558 -1.06
+  291.1818 C15H23N4O2- 2 291.1826 -2.8
+  306.1818 C16H24N3O3- 1 306.1823 -1.64
+  372.2294 C21H30N3O3- 2 372.2293 0.41
+  382.2141 C22H28N3O3- 2 382.2136 1.3
+  399.2402 C22H31N4O3- 3 399.2402 0.1
+  400.2242 C22H30N3O4- 2 400.2242 0.01
+  443.2301 C23H31N4O5- 2 443.23 0.3
+PK$NUM_PEAK: 30
+PK$PEAK: m/z int. rel.int.
+  97.0043 171940.6 22
+  99.0199 2210230.5 282
+  110.0613 363858.7 46
+  111.0203 202318 25
+  113.0357 245243.7 31
+  119.0501 2833804 362
+  130.0872 7802771 999
+  153.0669 613039.2 78
+  154.0983 296889.2 38
+  155.082 2199685.5 281
+  155.1184 1289432.6 165
+  166.0861 552986.7 70
+  169.0978 308777.4 39
+  180.0774 711270.6 91
+  219.0768 1571446.8 201
+  222.1612 189232.2 24
+  245.166 246227.9 31
+  261.1607 203144.5 26
+  274.1556 1265466.8 162
+  276.1718 768865.6 98
+  279.1825 5327688.5 682
+  286.1557 812007.2 103
+  289.1555 2150018 275
+  291.1818 1277431.1 163
+  306.1818 2805445.2 359
+  372.2294 666739.6 85
+  382.2141 272531.8 34
+  399.2402 3755981.2 480
+  400.2242 2625497.8 336
+  443.2301 5425779 694
+//
diff --git a/Eawag/MSBNK-EAWAG-ED128257.txt b/Eawag/MSBNK-EAWAG-ED128257.txt
new file mode 100644
index 0000000000..ddc7dfaf38
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED128257.txt
@@ -0,0 +1,84 @@
+ACCESSION: MSBNK-EAWAG-ED128257
+RECORD_TITLE: Namalide B; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1093/femsec/fiaa243
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1282
+CH$NAME: Namalide B
+CH$NAME: (2S,3R)-2-[[(3S,6S,9R)-6-[(2S)-butan-2-yl]-3-[2-(4-hydroxyphenyl)ethyl]-2,5,8-trioxo-1,4,7-triazacyclotridec-9-yl]carbamoylamino]-3-methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C29H45N5O7
+CH$EXACT_MASS: 575.3318988
+CH$SMILES: CC[C@@H]([C@H]1C(N[C@@H](CCC2=CC=C(O)C=C2)C(NCCCC[C@@H](NC(N[C@@H]([C@@H](CC)C)C(O)=O)=O)C(N1)=O)=O)=O)C
+CH$IUPAC: InChI=1S/C29H45N5O7/c1-5-17(3)23-27(38)31-22(15-12-19-10-13-20(35)14-11-19)25(36)30-16-8-7-9-21(26(37)33-23)32-29(41)34-24(28(39)40)18(4)6-2/h10-11,13-14,17-18,21-24,35H,5-9,12,15-16H2,1-4H3,(H,30,36)(H,31,38)(H,33,37)(H,39,40)(H2,32,34,41)/t17-,18+,21+,22-,23-,24-/m0/s1
+CH$LINK: PUBCHEM CID:155801647
+CH$LINK: INCHIKEY BEGARHAEPVBWAE-NSDNVYNZSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 60-607
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.887 min
+MS$FOCUSED_ION: BASE_PEAK 574.3247
+MS$FOCUSED_ION: PRECURSOR_M/Z 574.3246
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-053r-1920000000-9a73452c81ad68d12e77
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  97.0043 C3HN2O2- 1 97.0044 -0.4
+  99.0199 C3H3N2O2- 1 99.02 -1.01
+  110.0614 C6H8NO- 1 110.0611 2.29
+  111.02 C4H3N2O2- 1 111.02 -0.19
+  119.0501 C8H7O- 1 119.0502 -1.34
+  130.0871 C6H12NO2- 1 130.0874 -1.73
+  139.0876 C7H11N2O- 1 139.0877 -0.67
+  154.0983 C7H12N3O- 1 154.0986 -1.94
+  155.0823 C7H11N2O2- 1 155.0826 -2.24
+  155.1184 C8H15N2O- 2 155.119 -3.77
+  170.0934 C7H12N3O2- 1 170.0935 -0.67
+  182.0926 C8H12N3O2- 1 182.0935 -4.93
+  186.1243 C8H16N3O2- 1 186.1248 -2.8
+  193.0976 C10H13N2O2- 2 193.0983 -3.61
+  219.0767 C11H11N2O3- 2 219.0775 -3.81
+  274.1553 C15H20N3O2- 1 274.1561 -2.78
+  276.1708 C15H22N3O2- 1 276.1718 -3.37
+  279.1825 C14H23N4O2- 2 279.1826 -0.68
+  289.1558 C16H21N2O3- 2 289.1558 0.21
+  306.1825 C16H24N3O3- 2 306.1823 0.55
+  343.1533 C18H21N3O4- 1 343.1538 -1.32
+PK$NUM_PEAK: 21
+PK$PEAK: m/z int. rel.int.
+  97.0043 562730.1 72
+  99.0199 2667768.8 344
+  110.0614 284853.8 36
+  111.02 482627.8 62
+  119.0501 3086744.8 398
+  130.0871 7741371.5 999
+  139.0876 641644.4 82
+  154.0983 710747.4 91
+  155.0823 1713824.2 221
+  155.1184 1580050.9 203
+  170.0934 194076.9 25
+  182.0926 273300.2 35
+  186.1243 300572 38
+  193.0976 634144.2 81
+  219.0767 559964.4 72
+  274.1553 1100057.1 141
+  276.1708 681981.4 88
+  279.1825 1409843.9 181
+  289.1558 663147.8 85
+  306.1825 996567.9 128
+  343.1533 410767.5 53
+//
diff --git a/Eawag/MSBNK-EAWAG-ED128258.txt b/Eawag/MSBNK-EAWAG-ED128258.txt
new file mode 100644
index 0000000000..a9259f0372
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED128258.txt
@@ -0,0 +1,78 @@
+ACCESSION: MSBNK-EAWAG-ED128258
+RECORD_TITLE: Namalide B; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1093/femsec/fiaa243
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1282
+CH$NAME: Namalide B
+CH$NAME: (2S,3R)-2-[[(3S,6S,9R)-6-[(2S)-butan-2-yl]-3-[2-(4-hydroxyphenyl)ethyl]-2,5,8-trioxo-1,4,7-triazacyclotridec-9-yl]carbamoylamino]-3-methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C29H45N5O7
+CH$EXACT_MASS: 575.3318988
+CH$SMILES: CC[C@@H]([C@H]1C(N[C@@H](CCC2=CC=C(O)C=C2)C(NCCCC[C@@H](NC(N[C@@H]([C@@H](CC)C)C(O)=O)=O)C(N1)=O)=O)=O)C
+CH$IUPAC: InChI=1S/C29H45N5O7/c1-5-17(3)23-27(38)31-22(15-12-19-10-13-20(35)14-11-19)25(36)30-16-8-7-9-21(26(37)33-23)32-29(41)34-24(28(39)40)18(4)6-2/h10-11,13-14,17-18,21-24,35H,5-9,12,15-16H2,1-4H3,(H,30,36)(H,31,38)(H,33,37)(H,39,40)(H2,32,34,41)/t17-,18+,21+,22-,23-,24-/m0/s1
+CH$LINK: PUBCHEM CID:155801647
+CH$LINK: INCHIKEY BEGARHAEPVBWAE-NSDNVYNZSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 60-607
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.887 min
+MS$FOCUSED_ION: BASE_PEAK 574.3247
+MS$FOCUSED_ION: PRECURSOR_M/Z 574.3246
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00lr-2900000000-61f16ccf8bda5709c30e
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  93.0345 C6H5O- 1 93.0346 -0.6
+  97.0042 C3HN2O2- 1 97.0044 -1.26
+  97.0409 C4H5N2O- 1 97.0407 1.25
+  98.0124 C3H2N2O2- 1 98.0122 2.33
+  99.0199 C3H3N2O2- 1 99.02 -0.55
+  106.0424 C7H6O- 1 106.0424 0.32
+  110.0614 C6H8NO- 1 110.0611 2.15
+  111.02 C4H3N2O2- 1 111.02 0.09
+  119.0501 C8H7O- 1 119.0502 -1.41
+  121.0659 C8H9O- 1 121.0659 -0.12
+  122.0976 C8H12N- 1 122.0975 0.49
+  130.0871 C6H12NO2- 1 130.0874 -1.73
+  153.067 C7H9N2O2- 1 153.067 0.64
+  155.0819 C7H11N2O2- 2 155.0826 -4.5
+  155.1182 C8H15N2O- 2 155.119 -4.76
+  165.1028 C9H13N2O- 1 165.1033 -3.08
+  169.098 C8H13N2O2- 1 169.0983 -1.74
+  274.1562 C15H20N3O2- 2 274.1561 0.23
+PK$NUM_PEAK: 18
+PK$PEAK: m/z int. rel.int.
+  93.0345 449766.3 86
+  97.0042 486920.9 93
+  97.0409 188067.5 36
+  98.0124 294011.6 56
+  99.0199 1662937.9 320
+  106.0424 172379.2 33
+  110.0614 191252.3 36
+  111.02 481229.2 92
+  119.0501 2667660.2 513
+  121.0659 186625.5 35
+  122.0976 248171.6 47
+  130.0871 5188742 999
+  153.067 213215.6 41
+  155.0819 1025813.4 197
+  155.1182 1323318.2 254
+  165.1028 242550 46
+  169.098 214365.9 41
+  274.1562 372378.4 71
+//
diff --git a/Eawag/MSBNK-EAWAG-ED128259.txt b/Eawag/MSBNK-EAWAG-ED128259.txt
new file mode 100644
index 0000000000..6663f078eb
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED128259.txt
@@ -0,0 +1,64 @@
+ACCESSION: MSBNK-EAWAG-ED128259
+RECORD_TITLE: Namalide B; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1093/femsec/fiaa243
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1282
+CH$NAME: Namalide B
+CH$NAME: (2S,3R)-2-[[(3S,6S,9R)-6-[(2S)-butan-2-yl]-3-[2-(4-hydroxyphenyl)ethyl]-2,5,8-trioxo-1,4,7-triazacyclotridec-9-yl]carbamoylamino]-3-methylpentanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C29H45N5O7
+CH$EXACT_MASS: 575.3318988
+CH$SMILES: CC[C@@H]([C@H]1C(N[C@@H](CCC2=CC=C(O)C=C2)C(NCCCC[C@@H](NC(N[C@@H]([C@@H](CC)C)C(O)=O)=O)C(N1)=O)=O)=O)C
+CH$IUPAC: InChI=1S/C29H45N5O7/c1-5-17(3)23-27(38)31-22(15-12-19-10-13-20(35)14-11-19)25(36)30-16-8-7-9-21(26(37)33-23)32-29(41)34-24(28(39)40)18(4)6-2/h10-11,13-14,17-18,21-24,35H,5-9,12,15-16H2,1-4H3,(H,30,36)(H,31,38)(H,33,37)(H,39,40)(H2,32,34,41)/t17-,18+,21+,22-,23-,24-/m0/s1
+CH$LINK: PUBCHEM CID:155801647
+CH$LINK: INCHIKEY BEGARHAEPVBWAE-NSDNVYNZSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 60-607
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.887 min
+MS$FOCUSED_ION: BASE_PEAK 574.3247
+MS$FOCUSED_ION: PRECURSOR_M/Z 574.3246
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00lr-2900000000-898401359d9ddd89ad3e
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  82.0664 C5H8N- 1 82.0662 1.88
+  93.0346 C6H5O- 1 93.0346 -0.11
+  97.0043 C3HN2O2- 1 97.0044 -0.71
+  98.0123 C3H2N2O2- 1 98.0122 0.77
+  99.02 C3H3N2O2- 1 99.02 -0.39
+  119.0501 C8H7O- 1 119.0502 -0.96
+  124.0278 C5H4N2O2- 1 124.0278 -0.06
+  130.0872 C6H12NO2- 1 130.0874 -1.37
+  139.0875 C7H11N2O- 1 139.0877 -1.55
+  154.0984 C7H12N3O- 1 154.0986 -1.15
+  155.1185 C8H15N2O- 1 155.119 -3.28
+PK$NUM_PEAK: 11
+PK$PEAK: m/z int. rel.int.
+  82.0664 161149.1 44
+  93.0346 491403.1 137
+  97.0043 551493.1 153
+  98.0123 227613.9 63
+  99.02 1192173.8 332
+  119.0501 2559491.5 713
+  124.0278 238361 66
+  130.0872 3582216.2 999
+  139.0875 363787.5 101
+  154.0984 288477.8 80
+  155.1185 913260.5 254
+//
diff --git a/Eawag/MSBNK-EAWAG-ED133201.txt b/Eawag/MSBNK-EAWAG-ED133201.txt
new file mode 100644
index 0000000000..90d57b54bc
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED133201.txt
@@ -0,0 +1,48 @@
+ACCESSION: MSBNK-EAWAG-ED133201
+RECORD_TITLE: Muscoride A; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], D. Fewer [dtc], J. Jokela [dtc], M. Wahlsten [dtc], T. Shishido [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1332
+CH$NAME: Muscoride A
+CH$NAME: 3-methylbut-2-enyl 5-methyl-2-[5-methyl-2-[1-[3-methyl-2-(2-methylbut-3-en-2-ylamino)butanoyl]pyrrolidin-2-yl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C28H40N4O5
+CH$EXACT_MASS: 512.2998704
+CH$SMILES: CC1=C(C2=NC(C(OC/C=C(C)\C)=O)=C(C)O2)N=C(C3CCCN3C(C(NC(C)(C=C)C)C(C)C)=O)O1
+CH$IUPAC: InChI=1S/C28H40N4O5/c1-10-28(8,9)31-21(17(4)5)26(33)32-14-11-12-20(32)24-29-22(18(6)36-24)25-30-23(19(7)37-25)27(34)35-15-13-16(2)3/h10,13,17,20-21,31H,1,11-12,14-15H2,2-9H3
+CH$LINK: PUBCHEM CID:496385
+CH$LINK: INCHIKEY PFXJYHPNSWNJBP-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 434599
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 54-545
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.100 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 513.3071
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0002-0000940000-4043da96825c4df1cbe5
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  377.1819 C18H25N4O5+ 1 377.1819 -0.09
+  445.2444 C23H33N4O5+ 1 445.2445 -0.33
+  513.3067 C28H41N4O5+ 1 513.3071 -0.84
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  377.1819 123075.4 70
+  445.2444 1737370.2 999
+  513.3067 821918.3 472
+//
diff --git a/Eawag/MSBNK-EAWAG-ED133202.txt b/Eawag/MSBNK-EAWAG-ED133202.txt
new file mode 100644
index 0000000000..d808b64550
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED133202.txt
@@ -0,0 +1,54 @@
+ACCESSION: MSBNK-EAWAG-ED133202
+RECORD_TITLE: Muscoride A; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], D. Fewer [dtc], J. Jokela [dtc], M. Wahlsten [dtc], T. Shishido [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1332
+CH$NAME: Muscoride A
+CH$NAME: 3-methylbut-2-enyl 5-methyl-2-[5-methyl-2-[1-[3-methyl-2-(2-methylbut-3-en-2-ylamino)butanoyl]pyrrolidin-2-yl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C28H40N4O5
+CH$EXACT_MASS: 512.2998704
+CH$SMILES: CC1=C(C2=NC(C(OC/C=C(C)\C)=O)=C(C)O2)N=C(C3CCCN3C(C(NC(C)(C=C)C)C(C)C)=O)O1
+CH$IUPAC: InChI=1S/C28H40N4O5/c1-10-28(8,9)31-21(17(4)5)26(33)32-14-11-12-20(32)24-29-22(18(6)36-24)25-30-23(19(7)37-25)27(34)35-15-13-16(2)3/h10,13,17,20-21,31H,1,11-12,14-15H2,2-9H3
+CH$LINK: PUBCHEM CID:496385
+CH$LINK: INCHIKEY PFXJYHPNSWNJBP-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 434599
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 54-545
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.100 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 513.3071
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-002b-0014910000-0a822025071b0eb50318
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  140.1428 C9H18N+ 1 140.1434 -3.84
+  278.1136 C13H16N3O4+ 2 278.1135 0.19
+  346.1754 C18H24N3O4+ 1 346.1761 -2.06
+  377.182 C18H25N4O5+ 1 377.1819 0.07
+  445.2444 C23H33N4O5+ 1 445.2445 -0.26
+  513.3067 C28H41N4O5+ 1 513.3071 -0.84
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  140.1428 28778.8 18
+  278.1136 255366.5 168
+  346.1754 70544.9 46
+  377.182 663848.4 437
+  445.2444 1514228.6 999
+  513.3067 192002.7 126
+//
diff --git a/Eawag/MSBNK-EAWAG-ED133203.txt b/Eawag/MSBNK-EAWAG-ED133203.txt
new file mode 100644
index 0000000000..9a8b2d1c20
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED133203.txt
@@ -0,0 +1,56 @@
+ACCESSION: MSBNK-EAWAG-ED133203
+RECORD_TITLE: Muscoride A; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], D. Fewer [dtc], J. Jokela [dtc], M. Wahlsten [dtc], T. Shishido [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1332
+CH$NAME: Muscoride A
+CH$NAME: 3-methylbut-2-enyl 5-methyl-2-[5-methyl-2-[1-[3-methyl-2-(2-methylbut-3-en-2-ylamino)butanoyl]pyrrolidin-2-yl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C28H40N4O5
+CH$EXACT_MASS: 512.2998704
+CH$SMILES: CC1=C(C2=NC(C(OC/C=C(C)\C)=O)=C(C)O2)N=C(C3CCCN3C(C(NC(C)(C=C)C)C(C)C)=O)O1
+CH$IUPAC: InChI=1S/C28H40N4O5/c1-10-28(8,9)31-21(17(4)5)26(33)32-14-11-12-20(32)24-29-22(18(6)36-24)25-30-23(19(7)37-25)27(34)35-15-13-16(2)3/h10,13,17,20-21,31H,1,11-12,14-15H2,2-9H3
+CH$LINK: PUBCHEM CID:496385
+CH$LINK: INCHIKEY PFXJYHPNSWNJBP-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 434599
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 54-545
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.100 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 513.3071
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-004i-1089600000-6b24c9b033c14e7123ab
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  69.0698 C5H9+ 1 69.0699 -0.84
+  70.0651 C4H8N+ 1 70.0651 -0.94
+  209.0556 C9H9N2O4+ 1 209.0557 -0.27
+  278.1136 C13H16N3O4+ 2 278.1135 0.41
+  346.1753 C18H24N3O4+ 1 346.1761 -2.32
+  377.1819 C18H25N4O5+ 1 377.1819 -0.01
+  445.2444 C23H33N4O5+ 1 445.2445 -0.33
+PK$NUM_PEAK: 7
+PK$PEAK: m/z int. rel.int.
+  69.0698 59526.4 73
+  70.0651 100721.9 124
+  209.0556 50562.5 62
+  278.1136 809164.4 999
+  346.1753 57178.4 70
+  377.1819 805665.2 994
+  445.2444 589808.1 728
+//
diff --git a/Eawag/MSBNK-EAWAG-ED133204.txt b/Eawag/MSBNK-EAWAG-ED133204.txt
new file mode 100644
index 0000000000..45fab5fe04
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED133204.txt
@@ -0,0 +1,58 @@
+ACCESSION: MSBNK-EAWAG-ED133204
+RECORD_TITLE: Muscoride A; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], D. Fewer [dtc], J. Jokela [dtc], M. Wahlsten [dtc], T. Shishido [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1332
+CH$NAME: Muscoride A
+CH$NAME: 3-methylbut-2-enyl 5-methyl-2-[5-methyl-2-[1-[3-methyl-2-(2-methylbut-3-en-2-ylamino)butanoyl]pyrrolidin-2-yl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C28H40N4O5
+CH$EXACT_MASS: 512.2998704
+CH$SMILES: CC1=C(C2=NC(C(OC/C=C(C)\C)=O)=C(C)O2)N=C(C3CCCN3C(C(NC(C)(C=C)C)C(C)C)=O)O1
+CH$IUPAC: InChI=1S/C28H40N4O5/c1-10-28(8,9)31-21(17(4)5)26(33)32-14-11-12-20(32)24-29-22(18(6)36-24)25-30-23(19(7)37-25)27(34)35-15-13-16(2)3/h10,13,17,20-21,31H,1,11-12,14-15H2,2-9H3
+CH$LINK: PUBCHEM CID:496385
+CH$LINK: INCHIKEY PFXJYHPNSWNJBP-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 434599
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 54-545
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.100 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 513.3071
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-004i-4093000000-1724d632cfeb38f89e36
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  69.0698 C5H9+ 1 69.0699 -0.4
+  70.0651 C4H8N+ 1 70.0651 -0.4
+  72.0806 C4H10N+ 1 72.0808 -2.27
+  140.1428 C9H18N+ 1 140.1434 -3.95
+  209.0555 C9H9N2O4+ 1 209.0557 -0.86
+  278.1135 C13H16N3O4+ 2 278.1135 -0.14
+  377.1819 C18H25N4O5+ 1 377.1819 -0.25
+  445.2445 C23H33N4O5+ 1 445.2445 -0.05
+PK$NUM_PEAK: 8
+PK$PEAK: m/z int. rel.int.
+  69.0698 105623.5 92
+  70.0651 417650.5 365
+  72.0806 71768.9 62
+  140.1428 39429.6 34
+  209.0555 187580.4 164
+  278.1135 1140220.6 999
+  377.1819 481196.2 421
+  445.2445 99956.5 87
+//
diff --git a/Eawag/MSBNK-EAWAG-ED133205.txt b/Eawag/MSBNK-EAWAG-ED133205.txt
new file mode 100644
index 0000000000..a1284e76b1
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED133205.txt
@@ -0,0 +1,54 @@
+ACCESSION: MSBNK-EAWAG-ED133205
+RECORD_TITLE: Muscoride A; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], D. Fewer [dtc], J. Jokela [dtc], M. Wahlsten [dtc], T. Shishido [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1332
+CH$NAME: Muscoride A
+CH$NAME: 3-methylbut-2-enyl 5-methyl-2-[5-methyl-2-[1-[3-methyl-2-(2-methylbut-3-en-2-ylamino)butanoyl]pyrrolidin-2-yl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C28H40N4O5
+CH$EXACT_MASS: 512.2998704
+CH$SMILES: CC1=C(C2=NC(C(OC/C=C(C)\C)=O)=C(C)O2)N=C(C3CCCN3C(C(NC(C)(C=C)C)C(C)C)=O)O1
+CH$IUPAC: InChI=1S/C28H40N4O5/c1-10-28(8,9)31-21(17(4)5)26(33)32-14-11-12-20(32)24-29-22(18(6)36-24)25-30-23(19(7)37-25)27(34)35-15-13-16(2)3/h10,13,17,20-21,31H,1,11-12,14-15H2,2-9H3
+CH$LINK: PUBCHEM CID:496385
+CH$LINK: INCHIKEY PFXJYHPNSWNJBP-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 434599
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 54-545
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.100 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 513.3071
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-00di-9050000000-962e95e7bb38dad49698
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  69.0699 C5H9+ 1 69.0699 0.04
+  70.0651 C4H8N+ 1 70.0651 -0.29
+  72.0807 C4H10N+ 1 72.0808 -0.68
+  209.0557 C9H9N2O4+ 1 209.0557 0.24
+  278.1136 C13H16N3O4+ 2 278.1135 0.08
+  377.1805 C18H25N4O5+ 1 377.1819 -3.89
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  69.0699 179854.2 172
+  70.0651 1042588.8 999
+  72.0807 162029.5 155
+  209.0557 478252.8 458
+  278.1136 329601.3 315
+  377.1805 27206.5 26
+//
diff --git a/Eawag/MSBNK-EAWAG-ED133206.txt b/Eawag/MSBNK-EAWAG-ED133206.txt
new file mode 100644
index 0000000000..c1c81f2a5a
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED133206.txt
@@ -0,0 +1,50 @@
+ACCESSION: MSBNK-EAWAG-ED133206
+RECORD_TITLE: Muscoride A; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], D. Fewer [dtc], J. Jokela [dtc], M. Wahlsten [dtc], T. Shishido [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1332
+CH$NAME: Muscoride A
+CH$NAME: 3-methylbut-2-enyl 5-methyl-2-[5-methyl-2-[1-[3-methyl-2-(2-methylbut-3-en-2-ylamino)butanoyl]pyrrolidin-2-yl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C28H40N4O5
+CH$EXACT_MASS: 512.2998704
+CH$SMILES: CC1=C(C2=NC(C(OC/C=C(C)\C)=O)=C(C)O2)N=C(C3CCCN3C(C(NC(C)(C=C)C)C(C)C)=O)O1
+CH$IUPAC: InChI=1S/C28H40N4O5/c1-10-28(8,9)31-21(17(4)5)26(33)32-14-11-12-20(32)24-29-22(18(6)36-24)25-30-23(19(7)37-25)27(34)35-15-13-16(2)3/h10,13,17,20-21,31H,1,11-12,14-15H2,2-9H3
+CH$LINK: PUBCHEM CID:496385
+CH$LINK: INCHIKEY PFXJYHPNSWNJBP-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 434599
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 54-545
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.100 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 513.3071
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-00di-9030000000-70927a1fe23566c24c1f
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  69.0699 C5H9+ 1 69.0699 -0.18
+  70.0651 C4H8N+ 1 70.0651 -0.4
+  72.0807 C4H10N+ 1 72.0808 -0.36
+  209.0557 C9H9N2O4+ 1 209.0557 -0.06
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  69.0699 197071.1 192
+  70.0651 1022331.4 999
+  72.0807 221126 216
+  209.0557 594739.9 581
+//
diff --git a/Eawag/MSBNK-EAWAG-ED133207.txt b/Eawag/MSBNK-EAWAG-ED133207.txt
new file mode 100644
index 0000000000..bf2bce3d9c
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED133207.txt
@@ -0,0 +1,50 @@
+ACCESSION: MSBNK-EAWAG-ED133207
+RECORD_TITLE: Muscoride A; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], D. Fewer [dtc], J. Jokela [dtc], M. Wahlsten [dtc], T. Shishido [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1332
+CH$NAME: Muscoride A
+CH$NAME: 3-methylbut-2-enyl 5-methyl-2-[5-methyl-2-[1-[3-methyl-2-(2-methylbut-3-en-2-ylamino)butanoyl]pyrrolidin-2-yl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C28H40N4O5
+CH$EXACT_MASS: 512.2998704
+CH$SMILES: CC1=C(C2=NC(C(OC/C=C(C)\C)=O)=C(C)O2)N=C(C3CCCN3C(C(NC(C)(C=C)C)C(C)C)=O)O1
+CH$IUPAC: InChI=1S/C28H40N4O5/c1-10-28(8,9)31-21(17(4)5)26(33)32-14-11-12-20(32)24-29-22(18(6)36-24)25-30-23(19(7)37-25)27(34)35-15-13-16(2)3/h10,13,17,20-21,31H,1,11-12,14-15H2,2-9H3
+CH$LINK: PUBCHEM CID:496385
+CH$LINK: INCHIKEY PFXJYHPNSWNJBP-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 434599
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 54-545
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.100 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 513.3071
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-00di-9030000000-f748af525f818050cea8
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  69.0698 C5H9+ 1 69.0699 -0.73
+  70.0651 C4H8N+ 1 70.0651 -0.4
+  72.0807 C4H10N+ 1 72.0808 -0.36
+  209.0556 C9H9N2O4+ 1 209.0557 -0.35
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  69.0698 221902 229
+  70.0651 965822.6 999
+  72.0807 212101.1 219
+  209.0556 570971 590
+//
diff --git a/Eawag/MSBNK-EAWAG-ED133208.txt b/Eawag/MSBNK-EAWAG-ED133208.txt
new file mode 100644
index 0000000000..a5ef8663cd
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED133208.txt
@@ -0,0 +1,52 @@
+ACCESSION: MSBNK-EAWAG-ED133208
+RECORD_TITLE: Muscoride A; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], D. Fewer [dtc], J. Jokela [dtc], M. Wahlsten [dtc], T. Shishido [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1332
+CH$NAME: Muscoride A
+CH$NAME: 3-methylbut-2-enyl 5-methyl-2-[5-methyl-2-[1-[3-methyl-2-(2-methylbut-3-en-2-ylamino)butanoyl]pyrrolidin-2-yl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C28H40N4O5
+CH$EXACT_MASS: 512.2998704
+CH$SMILES: CC1=C(C2=NC(C(OC/C=C(C)\C)=O)=C(C)O2)N=C(C3CCCN3C(C(NC(C)(C=C)C)C(C)C)=O)O1
+CH$IUPAC: InChI=1S/C28H40N4O5/c1-10-28(8,9)31-21(17(4)5)26(33)32-14-11-12-20(32)24-29-22(18(6)36-24)25-30-23(19(7)37-25)27(34)35-15-13-16(2)3/h10,13,17,20-21,31H,1,11-12,14-15H2,2-9H3
+CH$LINK: PUBCHEM CID:496385
+CH$LINK: INCHIKEY PFXJYHPNSWNJBP-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 434599
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 54-545
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.100 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 513.3071
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-00di-9030000000-660044c5ed87b2e1e32b
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  55.0541 C4H7+ 1 55.0542 -2.22
+  69.0698 C5H9+ 1 69.0699 -0.62
+  70.0651 C4H8N+ 1 70.0651 -0.29
+  72.0807 C4H10N+ 1 72.0808 -0.68
+  209.0557 C9H9N2O4+ 1 209.0557 0.02
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  55.0541 31926.8 35
+  69.0698 184266.4 204
+  70.0651 901528.6 999
+  72.0807 217663 241
+  209.0557 494787.2 548
+//
diff --git a/Eawag/MSBNK-EAWAG-ED133209.txt b/Eawag/MSBNK-EAWAG-ED133209.txt
new file mode 100644
index 0000000000..1622c652a6
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED133209.txt
@@ -0,0 +1,56 @@
+ACCESSION: MSBNK-EAWAG-ED133209
+RECORD_TITLE: Muscoride A; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], D. Fewer [dtc], J. Jokela [dtc], M. Wahlsten [dtc], T. Shishido [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1332
+CH$NAME: Muscoride A
+CH$NAME: 3-methylbut-2-enyl 5-methyl-2-[5-methyl-2-[1-[3-methyl-2-(2-methylbut-3-en-2-ylamino)butanoyl]pyrrolidin-2-yl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C28H40N4O5
+CH$EXACT_MASS: 512.2998704
+CH$SMILES: CC1=C(C2=NC(C(OC/C=C(C)\C)=O)=C(C)O2)N=C(C3CCCN3C(C(NC(C)(C=C)C)C(C)C)=O)O1
+CH$IUPAC: InChI=1S/C28H40N4O5/c1-10-28(8,9)31-21(17(4)5)26(33)32-14-11-12-20(32)24-29-22(18(6)36-24)25-30-23(19(7)37-25)27(34)35-15-13-16(2)3/h10,13,17,20-21,31H,1,11-12,14-15H2,2-9H3
+CH$LINK: PUBCHEM CID:496385
+CH$LINK: INCHIKEY PFXJYHPNSWNJBP-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 434599
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 54-545
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.100 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 513.3071
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-00di-9120000000-3326563ddb3cd3e2b8dc
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  55.0541 C4H7+ 1 55.0542 -1.52
+  69.0699 C5H9+ 1 69.0699 -0.29
+  70.0651 C4H8N+ 1 70.0651 -0.73
+  72.0807 C4H10N+ 1 72.0808 -0.89
+  121.0395 C6H5N2O+ 1 121.0396 -1.08
+  149.0344 C7H5N2O2+ 1 149.0346 -1.11
+  209.0556 C9H9N2O4+ 1 209.0557 -0.2
+PK$NUM_PEAK: 7
+PK$PEAK: m/z int. rel.int.
+  55.0541 28159.2 34
+  69.0699 142536.6 173
+  70.0651 822313.6 999
+  72.0807 177627.4 215
+  121.0395 156353.2 189
+  149.0344 32254.7 39
+  209.0556 303880.3 369
+//
diff --git a/Eawag/MSBNK-EAWAG-ED140201.txt b/Eawag/MSBNK-EAWAG-ED140201.txt
new file mode 100644
index 0000000000..1aee50fb15
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED140201.txt
@@ -0,0 +1,44 @@
+ACCESSION: MSBNK-EAWAG-ED140201
+RECORD_TITLE: Aerucyclamide D; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 1402
+CH$NAME: Aerucyclamide D
+CH$NAME: (1R,4S,7R,8S,18S)-4-benzyl-7-methyl-18-(2-methylsulfanylethyl)-6-oxa-13,20-dithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.15,8.112,15]tetracosa-5(24),12(23),14,19(22)-tetraene-2,9,16-trione
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C26H30N6O4S3
+CH$EXACT_MASS: 586.1490664
+CH$SMILES: C[C@@H]1[C@H]2C(=O)NCC3=NC(=CS3)C(=O)N[C@H](C4=N[C@@H](CS4)C(=O)N[C@H](C(=N2)O1)CC5=CC=CC=C5)CCSC
+CH$IUPAC: InChI=1S/C26H30N6O4S3/c1-14-21-24(35)27-11-20-28-18(12-38-20)22(33)29-16(8-9-37-2)26-31-19(13-39-26)23(34)30-17(25(32-21)36-14)10-15-6-4-3-5-7-15/h3-7,12,14,16-17,19,21H,8-11,13H2,1-2H3,(H,27,35)(H,29,33)(H,30,34)/t14-,16+,17+,19+,21+/m1/s1
+CH$LINK: PUBCHEM CID:25156432
+CH$LINK: INCHIKEY MLBROOJXUZKDHY-PKPICYNOSA-N
+CH$LINK: CHEMSPIDER 24641545
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 61-620
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.342 min
+MS$FOCUSED_ION: BASE_PEAK 587.1559
+MS$FOCUSED_ION: PRECURSOR_M/Z 587.1563
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-000i-0000090000-8bec5102946ac625f620
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  587.1559 C26H31N6O4S3+ 1 587.1563 -0.82
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  587.1559 16061155 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED140202.txt b/Eawag/MSBNK-EAWAG-ED140202.txt
new file mode 100644
index 0000000000..76188c1552
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED140202.txt
@@ -0,0 +1,48 @@
+ACCESSION: MSBNK-EAWAG-ED140202
+RECORD_TITLE: Aerucyclamide D; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 1402
+CH$NAME: Aerucyclamide D
+CH$NAME: (1R,4S,7R,8S,18S)-4-benzyl-7-methyl-18-(2-methylsulfanylethyl)-6-oxa-13,20-dithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.15,8.112,15]tetracosa-5(24),12(23),14,19(22)-tetraene-2,9,16-trione
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C26H30N6O4S3
+CH$EXACT_MASS: 586.1490664
+CH$SMILES: C[C@@H]1[C@H]2C(=O)NCC3=NC(=CS3)C(=O)N[C@H](C4=N[C@@H](CS4)C(=O)N[C@H](C(=N2)O1)CC5=CC=CC=C5)CCSC
+CH$IUPAC: InChI=1S/C26H30N6O4S3/c1-14-21-24(35)27-11-20-28-18(12-38-20)22(33)29-16(8-9-37-2)26-31-19(13-39-26)23(34)30-17(25(32-21)36-14)10-15-6-4-3-5-7-15/h3-7,12,14,16-17,19,21H,8-11,13H2,1-2H3,(H,27,35)(H,29,33)(H,30,34)/t14-,16+,17+,19+,21+/m1/s1
+CH$LINK: PUBCHEM CID:25156432
+CH$LINK: INCHIKEY MLBROOJXUZKDHY-PKPICYNOSA-N
+CH$LINK: CHEMSPIDER 24641545
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 61-620
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.342 min
+MS$FOCUSED_ION: BASE_PEAK 587.1559
+MS$FOCUSED_ION: PRECURSOR_M/Z 587.1563
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-000i-0000090000-b84d637c0d90fa2adf0f
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  539.1518 C25H27N6O4S2+ 1 539.153 -2.13
+  569.1452 C26H29N6O3S3+ 1 569.1458 -0.94
+  587.1556 C26H31N6O4S3+ 1 587.1563 -1.23
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  539.1518 613859.4 36
+  569.1452 354765.7 21
+  587.1556 16716009 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED140203.txt b/Eawag/MSBNK-EAWAG-ED140203.txt
new file mode 100644
index 0000000000..29c2603179
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED140203.txt
@@ -0,0 +1,60 @@
+ACCESSION: MSBNK-EAWAG-ED140203
+RECORD_TITLE: Aerucyclamide D; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 1402
+CH$NAME: Aerucyclamide D
+CH$NAME: (1R,4S,7R,8S,18S)-4-benzyl-7-methyl-18-(2-methylsulfanylethyl)-6-oxa-13,20-dithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.15,8.112,15]tetracosa-5(24),12(23),14,19(22)-tetraene-2,9,16-trione
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C26H30N6O4S3
+CH$EXACT_MASS: 586.1490664
+CH$SMILES: C[C@@H]1[C@H]2C(=O)NCC3=NC(=CS3)C(=O)N[C@H](C4=N[C@@H](CS4)C(=O)N[C@H](C(=N2)O1)CC5=CC=CC=C5)CCSC
+CH$IUPAC: InChI=1S/C26H30N6O4S3/c1-14-21-24(35)27-11-20-28-18(12-38-20)22(33)29-16(8-9-37-2)26-31-19(13-39-26)23(34)30-17(25(32-21)36-14)10-15-6-4-3-5-7-15/h3-7,12,14,16-17,19,21H,8-11,13H2,1-2H3,(H,27,35)(H,29,33)(H,30,34)/t14-,16+,17+,19+,21+/m1/s1
+CH$LINK: PUBCHEM CID:25156432
+CH$LINK: INCHIKEY MLBROOJXUZKDHY-PKPICYNOSA-N
+CH$LINK: CHEMSPIDER 24641545
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 61-620
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.342 min
+MS$FOCUSED_ION: BASE_PEAK 587.1559
+MS$FOCUSED_ION: PRECURSOR_M/Z 587.1563
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-000i-0000090000-a7a131c03793e11bcb9e
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  420.0796 C17H18N5O4S2+ 4 420.0795 0.28
+  468.0823 C24H16N6OS2+ 3 468.0822 0.27
+  476.1238 C21H26N5O2S3+ 5 476.1243 -1.04
+  539.1526 C25H27N6O4S2+ 1 539.153 -0.66
+  542.1358 C25H28N5O3S3+ 1 542.1349 1.65
+  543.1291 C24H27N6O3S3+ 2 543.1301 -1.96
+  559.1607 C25H31N6O3S3+ 1 559.1614 -1.23
+  569.1452 C26H29N6O3S3+ 1 569.1458 -0.94
+  587.156 C26H31N6O4S3+ 1 587.1563 -0.61
+PK$NUM_PEAK: 9
+PK$PEAK: m/z int. rel.int.
+  420.0796 205825.8 19
+  468.0823 145417 13
+  476.1238 584521.4 54
+  539.1526 1862798.4 174
+  542.1358 125577 11
+  543.1291 182577.8 17
+  559.1607 301089.2 28
+  569.1452 1060483.9 99
+  587.156 10685410 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED140204.txt b/Eawag/MSBNK-EAWAG-ED140204.txt
new file mode 100644
index 0000000000..1203b688b4
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED140204.txt
@@ -0,0 +1,80 @@
+ACCESSION: MSBNK-EAWAG-ED140204
+RECORD_TITLE: Aerucyclamide D; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 1402
+CH$NAME: Aerucyclamide D
+CH$NAME: (1R,4S,7R,8S,18S)-4-benzyl-7-methyl-18-(2-methylsulfanylethyl)-6-oxa-13,20-dithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.15,8.112,15]tetracosa-5(24),12(23),14,19(22)-tetraene-2,9,16-trione
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C26H30N6O4S3
+CH$EXACT_MASS: 586.1490664
+CH$SMILES: C[C@@H]1[C@H]2C(=O)NCC3=NC(=CS3)C(=O)N[C@H](C4=N[C@@H](CS4)C(=O)N[C@H](C(=N2)O1)CC5=CC=CC=C5)CCSC
+CH$IUPAC: InChI=1S/C26H30N6O4S3/c1-14-21-24(35)27-11-20-28-18(12-38-20)22(33)29-16(8-9-37-2)26-31-19(13-39-26)23(34)30-17(25(32-21)36-14)10-15-6-4-3-5-7-15/h3-7,12,14,16-17,19,21H,8-11,13H2,1-2H3,(H,27,35)(H,29,33)(H,30,34)/t14-,16+,17+,19+,21+/m1/s1
+CH$LINK: PUBCHEM CID:25156432
+CH$LINK: INCHIKEY MLBROOJXUZKDHY-PKPICYNOSA-N
+CH$LINK: CHEMSPIDER 24641545
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 61-620
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.342 min
+MS$FOCUSED_ION: BASE_PEAK 587.1559
+MS$FOCUSED_ION: PRECURSOR_M/Z 587.1563
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-000i-0000190000-37d9d5504a2911c94601
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  75.0262 C3H7S+ 1 75.0263 -0.72
+  84.0444 C4H6NO+ 1 84.0444 -0.42
+  120.0807 C8H10N+ 2 120.0808 -1
+  158.0961 C11H12N+ 2 158.0964 -2.26
+  172.0251 C7H10NS2+ 3 172.0249 0.84
+  186.0904 C4H16N3O3S+ 3 186.0907 -1.32
+  196.0536 H14N5O3S2+ 2 196.0533 1.55
+  319.0913 C14H17N5S2+ 4 319.092 -2.03
+  420.0793 C17H18N5O4S2+ 4 420.0795 -0.3
+  428.1205 C20H22N5O2S2+ 3 428.1209 -1.15
+  476.124 C21H26N5O2S3+ 5 476.1243 -0.72
+  511.1608 C21H31N6O3S3+ 2 511.1614 -1.28
+  521.1421 C25H25N6O3S2+ 1 521.1424 -0.52
+  539.1525 C25H27N6O4S2+ 1 539.153 -0.88
+  542.1348 C25H28N5O3S3+ 1 542.1349 -0.15
+  543.13 C24H27N6O3S3+ 2 543.1301 -0.28
+  559.1612 C25H31N6O3S3+ 1 559.1614 -0.46
+  569.1451 C26H29N6O3S3+ 1 569.1458 -1.16
+  587.1558 C26H31N6O4S3+ 1 587.1563 -0.92
+PK$NUM_PEAK: 19
+PK$PEAK: m/z int. rel.int.
+  75.0262 54259.7 14
+  84.0444 245083.7 63
+  120.0807 236975.6 61
+  158.0961 50120.3 12
+  172.0251 95672.3 24
+  186.0904 68457.9 17
+  196.0536 61230.8 15
+  319.0913 71873.4 18
+  420.0793 380755.7 98
+  428.1205 129245.9 33
+  476.124 1049802.9 271
+  511.1608 103099.2 26
+  521.1421 229355.6 59
+  539.1525 2337533.5 603
+  542.1348 149736.6 38
+  543.13 157046.3 40
+  559.1612 288664.5 74
+  569.1451 1414871.2 365
+  587.1558 3868856.5 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED140205.txt b/Eawag/MSBNK-EAWAG-ED140205.txt
new file mode 100644
index 0000000000..7c0125c4ed
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED140205.txt
@@ -0,0 +1,112 @@
+ACCESSION: MSBNK-EAWAG-ED140205
+RECORD_TITLE: Aerucyclamide D; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 1402
+CH$NAME: Aerucyclamide D
+CH$NAME: (1R,4S,7R,8S,18S)-4-benzyl-7-methyl-18-(2-methylsulfanylethyl)-6-oxa-13,20-dithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.15,8.112,15]tetracosa-5(24),12(23),14,19(22)-tetraene-2,9,16-trione
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C26H30N6O4S3
+CH$EXACT_MASS: 586.1490664
+CH$SMILES: C[C@@H]1[C@H]2C(=O)NCC3=NC(=CS3)C(=O)N[C@H](C4=N[C@@H](CS4)C(=O)N[C@H](C(=N2)O1)CC5=CC=CC=C5)CCSC
+CH$IUPAC: InChI=1S/C26H30N6O4S3/c1-14-21-24(35)27-11-20-28-18(12-38-20)22(33)29-16(8-9-37-2)26-31-19(13-39-26)23(34)30-17(25(32-21)36-14)10-15-6-4-3-5-7-15/h3-7,12,14,16-17,19,21H,8-11,13H2,1-2H3,(H,27,35)(H,29,33)(H,30,34)/t14-,16+,17+,19+,21+/m1/s1
+CH$LINK: PUBCHEM CID:25156432
+CH$LINK: INCHIKEY MLBROOJXUZKDHY-PKPICYNOSA-N
+CH$LINK: CHEMSPIDER 24641545
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 61-620
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.342 min
+MS$FOCUSED_ION: BASE_PEAK 587.1559
+MS$FOCUSED_ION: PRECURSOR_M/Z 587.1563
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00gs-3920540000-23a210590dda4f48d78a
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  75.0263 C3H7S+ 1 75.0263 -0.42
+  84.0443 C4H6NO+ 1 84.0444 -0.6
+  98.0059 C4H4NS+ 1 98.0059 0.1
+  120.0806 C8H10N+ 2 120.0808 -1.76
+  124.0216 C6H6NS+ 1 124.0215 0.52
+  126.0372 C6H8NS+ 1 126.0372 -0.23
+  131.0494 C9H7O+ 1 131.0491 2.33
+  141.0121 C5H5N2OS+ 1 141.0117 2.78
+  158.0379 C5H8N3OS+ 1 158.0383 -2.07
+  158.0961 C11H12N+ 2 158.0964 -2.07
+  159.0222 C5H7N2O2S+ 2 159.0223 -0.46
+  169.0428 C7H9N2OS+ 1 169.043 -1.2
+  172.0243 C7H10NS2+ 1 172.0249 -3.41
+  184.0538 C7H10N3OS+ 2 184.0539 -0.47
+  185.0011 C6H5N2O3S+ 1 185.0015 -2.23
+  186.0912 C12H12NO+ 3 186.0913 -0.81
+  196.0534 H14N5O3S2+ 3 196.0533 0.85
+  200.0193 H14N3O3S3+ 4 200.0192 0.71
+  222.0682 C2H16N5O3S2+ 3 222.0689 -3.24
+  226.0284 C16H4NO+ 4 226.0287 -1.62
+  236.0479 C10H10N3O2S+ 5 236.0488 -3.81
+  261.0698 C5H17N4O4S2+ 3 261.0686 4.53
+  264.0251 C3H14N5O3S3+ 4 264.0253 -0.69
+  279.0901 C4H19N6O4S2+ 5 279.0904 -1.01
+  298.1008 C16H16N3OS+ 5 298.1009 -0.26
+  319.0923 C14H17N5S2+ 4 319.092 0.94
+  420.0784 C23H20N2S3+ 4 420.0783 0.28
+  428.12 C20H22N5O2S2+ 2 428.1209 -2.22
+  439.0883 C21H19N4O3S2+ 2 439.0893 -2.24
+  456.1155 C26H20N2O4S+ 3 456.1138 3.72
+  476.124 C21H26N5O2S3+ 5 476.1243 -0.66
+  495.1263 C23H23N6O3S2+ 2 495.1268 -0.84
+  539.1528 C25H27N6O4S2+ 1 539.153 -0.32
+  541.1531 C25H29N6O2S3+ 1 541.1509 4.15
+  569.1458 C26H29N6O3S3+ 1 569.1458 0.02
+PK$NUM_PEAK: 35
+PK$PEAK: m/z int. rel.int.
+  75.0263 106321.2 212
+  84.0443 452943.2 904
+  98.0059 44360.2 88
+  120.0806 487452.7 973
+  124.0216 76980.5 153
+  126.0372 35192.1 70
+  131.0494 44585.7 89
+  141.0121 34662.6 69
+  158.0379 20740.5 41
+  158.0961 63940.9 127
+  159.0222 58003.3 115
+  169.0428 36109.2 72
+  172.0243 234411.1 467
+  184.0538 30770.7 61
+  185.0011 54617.1 109
+  186.0912 168438.6 336
+  196.0534 273744.9 546
+  200.0193 29117.2 58
+  222.0682 82336.2 164
+  226.0284 16864.8 33
+  236.0479 29401.4 58
+  261.0698 36517.2 72
+  264.0251 38918.7 77
+  279.0901 111297.9 222
+  298.1008 172656.8 344
+  319.0923 51773.8 103
+  420.0784 131767.8 263
+  428.12 262939.2 524
+  439.0883 68282.8 136
+  456.1155 45927.8 91
+  476.124 444030.4 886
+  495.1263 73127.5 145
+  539.1528 500452.5 999
+  541.1531 40185.8 80
+  569.1458 283426.2 565
+//
diff --git a/Eawag/MSBNK-EAWAG-ED140206.txt b/Eawag/MSBNK-EAWAG-ED140206.txt
new file mode 100644
index 0000000000..3344bc90cb
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED140206.txt
@@ -0,0 +1,134 @@
+ACCESSION: MSBNK-EAWAG-ED140206
+RECORD_TITLE: Aerucyclamide D; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 1402
+CH$NAME: Aerucyclamide D
+CH$NAME: (1R,4S,7R,8S,18S)-4-benzyl-7-methyl-18-(2-methylsulfanylethyl)-6-oxa-13,20-dithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.15,8.112,15]tetracosa-5(24),12(23),14,19(22)-tetraene-2,9,16-trione
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C26H30N6O4S3
+CH$EXACT_MASS: 586.1490664
+CH$SMILES: C[C@@H]1[C@H]2C(=O)NCC3=NC(=CS3)C(=O)N[C@H](C4=N[C@@H](CS4)C(=O)N[C@H](C(=N2)O1)CC5=CC=CC=C5)CCSC
+CH$IUPAC: InChI=1S/C26H30N6O4S3/c1-14-21-24(35)27-11-20-28-18(12-38-20)22(33)29-16(8-9-37-2)26-31-19(13-39-26)23(34)30-17(25(32-21)36-14)10-15-6-4-3-5-7-15/h3-7,12,14,16-17,19,21H,8-11,13H2,1-2H3,(H,27,35)(H,29,33)(H,30,34)/t14-,16+,17+,19+,21+/m1/s1
+CH$LINK: PUBCHEM CID:25156432
+CH$LINK: INCHIKEY MLBROOJXUZKDHY-PKPICYNOSA-N
+CH$LINK: CHEMSPIDER 24641545
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 61-620
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.342 min
+MS$FOCUSED_ION: BASE_PEAK 587.1559
+MS$FOCUSED_ION: PRECURSOR_M/Z 587.1563
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00di-2910000000-08ad1a09e9a8b8d20099
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  69.0336 C4H5O+ 1 69.0335 2
+  75.0262 C3H7S+ 1 75.0263 -0.83
+  84.0443 C4H6NO+ 1 84.0444 -0.51
+  86.0058 C3H4NS+ 1 86.0059 -1.38
+  91.0542 C7H7+ 1 91.0542 -0.43
+  98.006 C4H4NS+ 1 98.0059 1.26
+  103.0541 C8H7+ 1 103.0542 -1.29
+  118.0651 C8H8N+ 1 118.0651 -0.43
+  120.0806 C8H10N+ 2 120.0808 -1.12
+  124.0214 C6H6NS+ 1 124.0215 -1.57
+  126.0372 C6H8NS+ 1 126.0372 -0.1
+  130.0653 C9H8N+ 2 130.0651 1.71
+  131.0487 C9H7O+ 2 131.0491 -3.02
+  141.0119 C5H5N2OS+ 1 141.0117 1.05
+  141.0482 C6H9N2S+ 2 141.0481 0.77
+  142.0322 C6H8NOS+ 2 142.0321 0.59
+  144.0115 C5H6NO2S+ 1 144.0114 0.52
+  144.0806 C10H10N+ 2 144.0808 -1.52
+  152.0168 C7H6NOS+ 2 152.0165 2.09
+  153.0114 C6H5N2OS+ 1 153.0117 -2.17
+  154.0324 C7H8NOS+ 2 154.0321 2
+  155.0274 C6H7N2OS+ 2 155.0274 0.26
+  158.0967 C11H12N+ 2 158.0964 1.69
+  159.022 C5H7N2O2S+ 1 159.0223 -1.9
+  167.0271 C7H7N2OS+ 1 167.0274 -1.47
+  172.0241 C7H10NS2+ 1 172.0249 -4.48
+  172.0757 C11H10NO+ 3 172.0757 0.18
+  179.0272 C8H7N2OS+ 3 179.0274 -0.71
+  181.0429 C8H9N2OS+ 3 181.043 -0.83
+  185.0014 C6H5N2O3S+ 2 185.0015 -0.75
+  185.0369 C5H7N5OS+ 2 185.0366 1.51
+  186.0914 C12H12NO+ 3 186.0913 0.26
+  194.0377 H12N5O3S2+ 3 194.0376 0.59
+  196.0534 H14N5O3S2+ 3 196.0533 0.54
+  199.0861 C4H15N4O3S+ 4 199.0859 0.9
+  206.0378 C9H8N3OS+ 3 206.0383 -2.07
+  207.022 C9H7N2O2S+ 3 207.0223 -1.32
+  222.0343 C17H4N+ 3 222.0338 2.2
+  222.0689 C2H16N5O3S2+ 3 222.0689 0.12
+  224.0481 CH14N5O4S2+ 3 224.0482 -0.17
+  225.1022 C14H13N2O+ 4 225.1022 -0.02
+  226.0287 C16H4NO+ 3 226.0287 -0.34
+  236.0495 C10H10N3O2S+ 3 236.0488 2.78
+  289.0209 C4H13N6O3S3+ 3 289.0206 0.96
+  307.0303 C17H9NO3S+ 4 307.0298 1.8
+  428.1207 C20H22N5O2S2+ 4 428.1209 -0.58
+PK$NUM_PEAK: 46
+PK$PEAK: m/z int. rel.int.
+  69.0336 35248.8 51
+  75.0262 120826.5 175
+  84.0443 489493 712
+  86.0058 76447.4 111
+  91.0542 102854.4 149
+  98.006 80159 116
+  103.0541 46681.2 67
+  118.0651 35248.9 51
+  120.0806 686709.2 999
+  124.0214 236998.3 344
+  126.0372 78824.6 114
+  130.0653 19872.3 28
+  131.0487 113648.9 165
+  141.0119 91802.8 133
+  141.0482 45890.1 66
+  142.0322 22462.1 32
+  144.0115 39480.7 57
+  144.0806 35537.3 51
+  152.0168 33269.4 48
+  153.0114 18001.7 26
+  154.0324 21733.5 31
+  155.0274 48545.6 70
+  158.0967 57412.4 83
+  159.022 289314.2 420
+  167.0271 75672.5 110
+  172.0241 193879.5 282
+  172.0757 54844.6 79
+  179.0272 40670.2 59
+  181.0429 51655.2 75
+  185.0014 212192.4 308
+  185.0369 179683.6 261
+  186.0914 202203.3 294
+  194.0377 31052.8 45
+  196.0534 437972.5 637
+  199.0861 32679.4 47
+  206.0378 67821.3 98
+  207.022 46212 67
+  222.0343 90362.9 131
+  222.0689 80247 116
+  224.0481 170877.3 248
+  225.1022 39900.9 58
+  226.0287 43301.3 62
+  236.0495 69299.9 100
+  289.0209 59993 87
+  307.0303 39502.7 57
+  428.1207 107514.8 156
+//
diff --git a/Eawag/MSBNK-EAWAG-ED140207.txt b/Eawag/MSBNK-EAWAG-ED140207.txt
new file mode 100644
index 0000000000..e5fed17de8
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED140207.txt
@@ -0,0 +1,182 @@
+ACCESSION: MSBNK-EAWAG-ED140207
+RECORD_TITLE: Aerucyclamide D; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 1402
+CH$NAME: Aerucyclamide D
+CH$NAME: (1R,4S,7R,8S,18S)-4-benzyl-7-methyl-18-(2-methylsulfanylethyl)-6-oxa-13,20-dithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.15,8.112,15]tetracosa-5(24),12(23),14,19(22)-tetraene-2,9,16-trione
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C26H30N6O4S3
+CH$EXACT_MASS: 586.1490664
+CH$SMILES: C[C@@H]1[C@H]2C(=O)NCC3=NC(=CS3)C(=O)N[C@H](C4=N[C@@H](CS4)C(=O)N[C@H](C(=N2)O1)CC5=CC=CC=C5)CCSC
+CH$IUPAC: InChI=1S/C26H30N6O4S3/c1-14-21-24(35)27-11-20-28-18(12-38-20)22(33)29-16(8-9-37-2)26-31-19(13-39-26)23(34)30-17(25(32-21)36-14)10-15-6-4-3-5-7-15/h3-7,12,14,16-17,19,21H,8-11,13H2,1-2H3,(H,27,35)(H,29,33)(H,30,34)/t14-,16+,17+,19+,21+/m1/s1
+CH$LINK: PUBCHEM CID:25156432
+CH$LINK: INCHIKEY MLBROOJXUZKDHY-PKPICYNOSA-N
+CH$LINK: CHEMSPIDER 24641545
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 61-620
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.342 min
+MS$FOCUSED_ION: BASE_PEAK 587.1559
+MS$FOCUSED_ION: PRECURSOR_M/Z 587.1563
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00ei-2910000000-e4fc1450333368b109b4
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  69.0335 C4H5O+ 1 69.0335 0.67
+  72.0683 C3H8N2+ 1 72.0682 0.82
+  75.0262 C3H7S+ 1 75.0263 -0.72
+  80.0496 C5H6N+ 1 80.0495 1.77
+  84.0443 C4H6NO+ 1 84.0444 -1.05
+  86.0058 C3H4NS+ 1 86.0059 -1.02
+  91.0541 C7H7+ 1 91.0542 -0.85
+  95.0602 C5H7N2+ 1 95.0604 -1.53
+  96.0444 C5H6NO+ 1 96.0444 0.32
+  98.0057 C4H4NS+ 1 98.0059 -1.85
+  103.0539 C8H7+ 2 103.0542 -2.85
+  105.0702 C8H9+ 1 105.0699 2.67
+  111.9852 C4H2NOS+ 1 111.9852 0.15
+  112.0216 C5H6NS+ 1 112.0215 0.07
+  113.0167 C4H5N2S+ 1 113.0168 -0.44
+  115.0542 C9H7+ 1 115.0542 -0.29
+  118.0651 C8H8N+ 1 118.0651 -0.49
+  119.0728 C8H9N+ 2 119.073 -1.23
+  120.0806 C8H10N+ 2 120.0808 -1.63
+  124.0213 C6H6NS+ 1 124.0215 -2
+  126.0008 C5H4NOS+ 1 126.0008 0.14
+  126.0371 C6H8NS+ 1 126.0372 -0.65
+  129.0698 C10H9+ 2 129.0699 -0.55
+  129.9962 C4H4NO2S+ 1 129.9957 3.38
+  130.065 C9H8N+ 2 130.0651 -0.75
+  131.049 C9H7O+ 2 131.0491 -1.16
+  139.0322 C6H7N2S+ 1 139.0324 -1.84
+  141.0114 C5H5N2OS+ 1 141.0117 -2.09
+  141.0484 C6H9N2S+ 2 141.0481 1.96
+  142.0324 C6H8NOS+ 2 142.0321 1.77
+  144.0113 C5H6NO2S+ 1 144.0114 -0.86
+  144.0806 C10H10N+ 2 144.0808 -0.99
+  146.0597 CH12N3O3S+ 2 146.0594 1.96
+  152.0162 C7H6NOS+ 1 152.0165 -1.43
+  153.0114 C6H5N2OS+ 1 153.0117 -2.27
+  154.0323 C7H8NOS+ 2 154.0321 1.51
+  155.0277 C6H7N2OS+ 2 155.0274 2.03
+  157.0065 C5H5N2O2S+ 2 157.0066 -0.61
+  158.0963 C11H12N+ 2 158.0964 -0.81
+  159.022 C5H7N2O2S+ 1 159.0223 -1.42
+  167.027 C7H7N2OS+ 1 167.0274 -2.11
+  169.0429 C7H9N2OS+ 1 169.043 -0.93
+  170.0266 C7H8NO2S+ 1 170.027 -2.43
+  171.022 C6H7N2O2S+ 1 171.0223 -1.61
+  172.0247 C7H10NS2+ 2 172.0249 -1.46
+  172.0758 C11H10NO+ 3 172.0757 0.54
+  179.0274 C8H7N2OS+ 3 179.0274 0.15
+  185.0015 C6H5N2O3S+ 2 185.0015 -0.42
+  185.037 C5H7N5OS+ 3 185.0366 2.34
+  189.9987 C6H8NO2S2+ 2 189.9991 -1.9
+  196.0535 H14N5O3S2+ 3 196.0533 1.16
+  197.0375 H13N4O4S2+ 3 197.0373 1.16
+  199.0861 C4H15N4O3S+ 4 199.0859 0.83
+  206.0379 C9H8N3OS+ 3 206.0383 -1.85
+  207.0222 C9H7N2O2S+ 3 207.0223 -0.21
+  208.0169 C8H6N3O2S+ 3 208.0175 -2.93
+  208.9839 C8H5N2OS2+ 3 208.9838 0.58
+  218.0377 C2H12N5O3S2+ 3 218.0376 0.24
+  219.999 CH10N5O2S3+ 2 219.9991 -0.42
+  222.0693 C2H16N5O3S2+ 3 222.0689 1.98
+  222.9984 CH11N4O3S3+ 3 222.9988 -1.49
+  224.0478 CH14N5O4S2+ 5 224.0482 -1.73
+  226.0285 C16H4NO+ 3 226.0287 -0.88
+  233.0742 C4H17N4O3S2+ 3 233.0737 2.52
+  236.0486 C10H10N3O2S+ 4 236.0488 -0.9
+  243.0581 C5H15N4O3S2+ 3 243.058 0.51
+  246.0138 C3H12N5O2S3+ 4 246.0148 -4.06
+  261.0686 C5H17N4O4S2+ 5 261.0686 0.09
+  264.0251 C3H14N5O3S3+ 4 264.0253 -0.92
+  289.0206 C4H13N6O3S3+ 4 289.0206 0.22
+PK$NUM_PEAK: 70
+PK$PEAK: m/z int. rel.int.
+  69.0335 50660.7 61
+  72.0683 21760.5 26
+  75.0262 94064.9 113
+  80.0496 27809.1 33
+  84.0443 475410.7 574
+  86.0058 111862.7 135
+  91.0541 205894 248
+  95.0602 31230.4 37
+  96.0444 24105.5 29
+  98.0057 149839.8 181
+  103.0539 113390 136
+  105.0702 39760.3 48
+  111.9852 51847.2 62
+  112.0216 90642.8 109
+  113.0167 41417.7 50
+  115.0542 17473.1 21
+  118.0651 49118.5 59
+  119.0728 16344.9 19
+  120.0806 826886.9 999
+  124.0213 304316.5 367
+  126.0008 42699.3 51
+  126.0371 60855.7 73
+  129.0698 14572.4 17
+  129.9962 47449.6 57
+  130.065 55214 66
+  131.049 148581 179
+  139.0322 29449.1 35
+  141.0114 99649.5 120
+  141.0484 39347.1 47
+  142.0324 17140.8 20
+  144.0113 78635 95
+  144.0806 63555.5 76
+  146.0597 35237.1 42
+  152.0162 41728.3 50
+  153.0114 38328.9 46
+  154.0323 29449.7 35
+  155.0277 43415.8 52
+  157.0065 41313 49
+  158.0963 53597.7 64
+  159.022 502617.8 607
+  167.027 101988.2 123
+  169.0429 14803.1 17
+  170.0266 33143.8 40
+  171.022 88011.8 106
+  172.0247 54330.4 65
+  172.0758 52497.9 63
+  179.0274 66640.2 80
+  185.0015 355570.3 429
+  185.037 285222.5 344
+  189.9987 50055 60
+  196.0535 259517.1 313
+  197.0375 50214.2 60
+  199.0861 24559.2 29
+  206.0379 80896.4 97
+  207.0222 46707.5 56
+  208.0169 43165.1 52
+  208.9839 16906.9 20
+  218.0377 16076.4 19
+  219.999 28983.1 35
+  222.0693 43708.1 52
+  222.9984 17174.1 20
+  224.0478 131506.2 158
+  226.0285 51133.2 61
+  233.0742 43102 52
+  236.0486 75315.8 90
+  243.0581 58749.6 70
+  246.0138 71470.6 86
+  261.0686 57626.3 69
+  264.0251 50262.6 60
+  289.0206 57495.4 69
+//
diff --git a/Eawag/MSBNK-EAWAG-ED140208.txt b/Eawag/MSBNK-EAWAG-ED140208.txt
new file mode 100644
index 0000000000..86fffb2ad7
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED140208.txt
@@ -0,0 +1,164 @@
+ACCESSION: MSBNK-EAWAG-ED140208
+RECORD_TITLE: Aerucyclamide D; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 1402
+CH$NAME: Aerucyclamide D
+CH$NAME: (1R,4S,7R,8S,18S)-4-benzyl-7-methyl-18-(2-methylsulfanylethyl)-6-oxa-13,20-dithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.15,8.112,15]tetracosa-5(24),12(23),14,19(22)-tetraene-2,9,16-trione
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C26H30N6O4S3
+CH$EXACT_MASS: 586.1490664
+CH$SMILES: C[C@@H]1[C@H]2C(=O)NCC3=NC(=CS3)C(=O)N[C@H](C4=N[C@@H](CS4)C(=O)N[C@H](C(=N2)O1)CC5=CC=CC=C5)CCSC
+CH$IUPAC: InChI=1S/C26H30N6O4S3/c1-14-21-24(35)27-11-20-28-18(12-38-20)22(33)29-16(8-9-37-2)26-31-19(13-39-26)23(34)30-17(25(32-21)36-14)10-15-6-4-3-5-7-15/h3-7,12,14,16-17,19,21H,8-11,13H2,1-2H3,(H,27,35)(H,29,33)(H,30,34)/t14-,16+,17+,19+,21+/m1/s1
+CH$LINK: PUBCHEM CID:25156432
+CH$LINK: INCHIKEY MLBROOJXUZKDHY-PKPICYNOSA-N
+CH$LINK: CHEMSPIDER 24641545
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 61-620
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.342 min
+MS$FOCUSED_ION: BASE_PEAK 587.1559
+MS$FOCUSED_ION: PRECURSOR_M/Z 587.1563
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00dr-2900000000-9a8ab8364416ee5004d1
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  69.0334 C4H5O+ 1 69.0335 -0.98
+  75.0263 C3H7S+ 1 75.0263 -0.01
+  80.0495 C5H6N+ 1 80.0495 0.63
+  81.0448 C4H5N2+ 1 81.0447 0.72
+  83.0604 C4H7N2+ 1 83.0604 -0.18
+  84.0443 C4H6NO+ 1 84.0444 -0.78
+  86.0058 C3H4NS+ 1 86.0059 -0.76
+  91.0542 C7H7+ 1 91.0542 -0.18
+  95.0605 C5H7N2+ 1 95.0604 1.84
+  96.0445 C5H6NO+ 1 96.0444 0.63
+  97.0107 C5H5S+ 1 97.0106 0.6
+  97.0397 C4H5N2O+ 1 97.0396 0.68
+  98.0058 C4H4NS+ 1 98.0059 -1.07
+  100.0215 C4H6NS+ 1 100.0215 -0.18
+  103.0541 C8H7+ 1 103.0542 -0.78
+  105.0701 C8H9+ 1 105.0699 2.17
+  111.9852 C4H2NOS+ 1 111.9852 0.35
+  112.0216 C5H6NS+ 1 112.0215 0.61
+  113.0164 C4H5N2S+ 1 113.0168 -3.75
+  115.0542 C9H7+ 1 115.0542 -0.42
+  117.0696 C9H9+ 2 117.0699 -2.72
+  119.0729 C8H9N+ 1 119.073 -0.14
+  120.0806 C8H10N+ 2 120.0808 -1.57
+  124.0214 C6H6NS+ 1 124.0215 -1.45
+  126.0009 C5H4NOS+ 1 126.0008 0.57
+  129.9955 C4H4NO2S+ 1 129.9957 -1.9
+  131.0491 C9H7O+ 2 131.0491 -0.58
+  132.0802 CH14N3O2S+ 2 132.0801 0.86
+  137.0162 C6H5N2S+ 1 137.0168 -4.56
+  141.0114 C5H5N2OS+ 1 141.0117 -1.98
+  141.0476 C6H9N2S+ 1 141.0481 -3.23
+  141.9959 C5H4NO2S+ 1 141.9957 1.51
+  143.0034 C5H5NO2S+ 1 143.0036 -1.29
+  144.0108 C5H6NO2S+ 1 144.0114 -3.72
+  144.0804 C2H14N3O2S+ 2 144.0801 2.05
+  151.0325 C7H7N2S+ 2 151.0324 0.03
+  152.0166 C7H6NOS+ 2 152.0165 0.98
+  153.0117 C6H5N2OS+ 2 153.0117 0.12
+  154.0321 C7H8NOS+ 2 154.0321 0.12
+  157.0065 C5H5N2O2S+ 1 157.0066 -1
+  158.0963 C11H12N+ 3 158.0964 -0.53
+  159.0219 C5H7N2O2S+ 1 159.0223 -2.38
+  167.0273 C7H7N2OS+ 2 167.0274 -0.1
+  171.0221 C6H7N2O2S+ 2 171.0223 -1.17
+  172.0756 C11H10NO+ 3 172.0757 -0.35
+  179.0273 C8H7N2OS+ 3 179.0274 -0.19
+  181.0428 C8H9N2OS+ 3 181.043 -1.17
+  185.0013 C6H5N2O3S+ 2 185.0015 -1.16
+  185.0366 C5H7N5OS+ 2 185.0366 -0.13
+  186.0908 C4H16N3O3S+ 3 186.0907 0.65
+  189.9986 C6H8NO2S2+ 3 189.9991 -2.46
+  197.0373 H13N4O4S2+ 3 197.0373 0.16
+  205.9968 C9H6N2S2+ 3 205.9967 0.46
+  206.0381 C9H8N3OS+ 3 206.0383 -0.96
+  207.0221 C9H7N2O2S+ 3 207.0223 -1.02
+  208.0178 C8H6N3O2S+ 3 208.0175 1.18
+  208.9836 C8H5N2OS2+ 3 208.9838 -0.81
+  224.0482 CH14N5O4S2+ 3 224.0482 0.04
+  246.0155 C3H12N5O2S3+ 4 246.0148 2.89
+  264.0254 C3H14N5O3S3+ 4 264.0253 0.35
+  289.0208 C4H13N6O3S3+ 3 289.0206 0.86
+PK$NUM_PEAK: 61
+PK$PEAK: m/z int. rel.int.
+  69.0334 67798.4 87
+  75.0263 74143.2 95
+  80.0495 46852.9 60
+  81.0448 25971 33
+  83.0604 22715.3 29
+  84.0443 414293.7 533
+  86.0058 179192.3 230
+  91.0542 257441 331
+  95.0605 32129.6 41
+  96.0445 40517 52
+  97.0107 35741.9 46
+  97.0397 23694 30
+  98.0058 187013.1 240
+  100.0215 34516.5 44
+  103.0541 238242.6 306
+  105.0701 30310.3 39
+  111.9852 115654 149
+  112.0216 135997.7 175
+  113.0164 77107.9 99
+  115.0542 46732.3 60
+  117.0696 28390 36
+  119.0729 18496.7 23
+  120.0806 775404.6 999
+  124.0214 358527.2 461
+  126.0009 53304.6 68
+  129.9955 120695.9 155
+  131.0491 126093 162
+  132.0802 67010.6 86
+  137.0162 17788.6 22
+  141.0114 121717.7 156
+  141.0476 30624.3 39
+  141.9959 34699.1 44
+  143.0034 28702.7 36
+  144.0108 103077.9 132
+  144.0804 66226.8 85
+  151.0325 34987.4 45
+  152.0166 35174.8 45
+  153.0117 38177.4 49
+  154.0321 29552.3 38
+  157.0065 56623.5 72
+  158.0963 53900.1 69
+  159.0219 555621.3 715
+  167.0273 135095.9 174
+  171.0221 127127.1 163
+  172.0756 40405.9 52
+  179.0273 48802.6 62
+  181.0428 23124.5 29
+  185.0013 486146.2 626
+  185.0366 236165.7 304
+  186.0908 124399.4 160
+  189.9986 41468.7 53
+  197.0373 36288.5 46
+  205.9968 36130.7 46
+  206.0381 60012.2 77
+  207.0221 45431.8 58
+  208.0178 26093.5 33
+  208.9836 30519.5 39
+  224.0482 67577.6 87
+  246.0155 44048.8 56
+  264.0254 23351.6 30
+  289.0208 35180.7 45
+//
diff --git a/Eawag/MSBNK-EAWAG-ED140209.txt b/Eawag/MSBNK-EAWAG-ED140209.txt
new file mode 100644
index 0000000000..54ac9c5e00
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED140209.txt
@@ -0,0 +1,152 @@
+ACCESSION: MSBNK-EAWAG-ED140209
+RECORD_TITLE: Aerucyclamide D; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 1402
+CH$NAME: Aerucyclamide D
+CH$NAME: (1R,4S,7R,8S,18S)-4-benzyl-7-methyl-18-(2-methylsulfanylethyl)-6-oxa-13,20-dithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.15,8.112,15]tetracosa-5(24),12(23),14,19(22)-tetraene-2,9,16-trione
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C26H30N6O4S3
+CH$EXACT_MASS: 586.1490664
+CH$SMILES: C[C@@H]1[C@H]2C(=O)NCC3=NC(=CS3)C(=O)N[C@H](C4=N[C@@H](CS4)C(=O)N[C@H](C(=N2)O1)CC5=CC=CC=C5)CCSC
+CH$IUPAC: InChI=1S/C26H30N6O4S3/c1-14-21-24(35)27-11-20-28-18(12-38-20)22(33)29-16(8-9-37-2)26-31-19(13-39-26)23(34)30-17(25(32-21)36-14)10-15-6-4-3-5-7-15/h3-7,12,14,16-17,19,21H,8-11,13H2,1-2H3,(H,27,35)(H,29,33)(H,30,34)/t14-,16+,17+,19+,21+/m1/s1
+CH$LINK: PUBCHEM CID:25156432
+CH$LINK: INCHIKEY MLBROOJXUZKDHY-PKPICYNOSA-N
+CH$LINK: CHEMSPIDER 24641545
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 61-620
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.342 min
+MS$FOCUSED_ION: BASE_PEAK 587.1559
+MS$FOCUSED_ION: PRECURSOR_M/Z 587.1563
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00dr-2900000000-13df705035d85c5f077b
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  68.0495 C4H6N+ 1 68.0495 0.3
+  69.0336 C4H5O+ 1 69.0335 1.34
+  72.0682 C3H8N2+ 1 72.0682 -0.66
+  75.0262 C3H7S+ 1 75.0263 -1.94
+  80.0495 C5H6N+ 1 80.0495 0.34
+  81.0448 C4H5N2+ 1 81.0447 0.63
+  83.0605 C4H7N2+ 1 83.0604 0.92
+  84.0443 C4H6NO+ 1 84.0444 -0.87
+  86.0058 C3H4NS+ 1 86.0059 -0.76
+  91.0542 C7H7+ 1 91.0542 -0.68
+  95.0604 C5H7N2+ 1 95.0604 -0.09
+  96.0441 C5H6NO+ 1 96.0444 -3.18
+  97.0397 C4H5N2O+ 1 97.0396 0.52
+  98.0058 C4H4NS+ 1 98.0059 -1.15
+  100.0217 C4H6NS+ 1 100.0215 1.04
+  103.0541 C8H7+ 1 103.0542 -1.07
+  105.07 C8H9+ 1 105.0699 0.79
+  111.9848 C4H2NOS+ 1 111.9852 -2.92
+  112.0215 C5H6NS+ 1 112.0215 -0.48
+  113.0167 C4H5N2S+ 1 113.0168 -1.18
+  115.0542 C9H7+ 1 115.0542 -0.62
+  117.07 C9H9+ 1 117.0699 1.26
+  119.0726 C8H9N+ 2 119.073 -3.09
+  120.0806 C8H10N+ 2 120.0808 -1.31
+  124.0213 C6H6NS+ 1 124.0215 -1.76
+  125.0289 C6H7NS+ 1 125.0294 -3.77
+  126.0009 C5H4NOS+ 1 126.0008 0.75
+  126.0375 C6H8NS+ 2 126.0372 2.62
+  129.9955 C4H4NO2S+ 1 129.9957 -1.55
+  130.0649 C9H8N+ 2 130.0651 -1.45
+  131.0492 C9H7O+ 1 131.0491 0.24
+  137.0168 C6H5N2S+ 2 137.0168 0.34
+  141.0117 C5H5N2OS+ 1 141.0117 -0.35
+  141.0479 C6H9N2S+ 1 141.0481 -1.17
+  141.9958 C5H4NO2S+ 1 141.9957 0.76
+  143.0035 C5H5NO2S+ 1 143.0036 -0.11
+  144.0111 C5H6NO2S+ 1 144.0114 -1.81
+  144.0804 C2H14N3O2S+ 2 144.0801 2.16
+  146.06 C9H8NO+ 2 146.06 -0.31
+  151.0324 C7H7N2S+ 2 151.0324 -0.17
+  153.0116 C6H5N2OS+ 1 153.0117 -0.68
+  155.0269 C6H7N2OS+ 1 155.0274 -2.69
+  156.0805 C11H10N+ 2 156.0808 -1.56
+  157.0065 C5H5N2O2S+ 2 157.0066 -0.61
+  159.0221 C5H7N2O2S+ 2 159.0223 -0.85
+  167.0272 C7H7N2OS+ 1 167.0274 -1.01
+  171.0222 C6H7N2O2S+ 2 171.0223 -0.63
+  179.0276 C8H7N2OS+ 3 179.0274 1.08
+  181.0433 C8H9N2OS+ 3 181.043 1.36
+  185.0012 C6H5N2O3S+ 1 185.0015 -1.57
+  185.0366 C5H7N5OS+ 2 185.0366 -0.13
+  186.0912 C12H12NO+ 3 186.0913 -0.97
+  205.9965 C9H6N2S2+ 3 205.9967 -1.02
+  206.0384 C9H8N3OS+ 3 206.0383 0.52
+  246.0152 C3H12N5O2S3+ 3 246.0148 1.65
+PK$NUM_PEAK: 55
+PK$PEAK: m/z int. rel.int.
+  68.0495 41241.2 54
+  69.0336 61049.7 81
+  72.0682 26096.1 34
+  75.0262 75827.2 100
+  80.0495 97434.3 129
+  81.0448 32051 42
+  83.0605 25857 34
+  84.0443 347795.6 461
+  86.0058 210956.1 279
+  91.0542 324397 430
+  95.0604 43505.6 57
+  96.0441 62267.4 82
+  97.0397 33805.2 44
+  98.0058 218661.4 290
+  100.0217 28820.4 38
+  103.0541 390148.2 517
+  105.07 45177.6 59
+  111.9848 202751.1 269
+  112.0215 154968.4 205
+  113.0167 111801.2 148
+  115.0542 72403.6 96
+  117.07 37837.8 50
+  119.0726 26854.4 35
+  120.0806 752679.4 999
+  124.0213 390875.6 518
+  125.0289 17611.2 23
+  126.0009 61219.1 81
+  126.0375 60318.6 80
+  129.9955 213843.7 283
+  130.0649 78362.1 104
+  131.0492 125527.3 166
+  137.0168 30093.2 39
+  141.0117 77716.4 103
+  141.0479 28679.2 38
+  141.9958 38587.9 51
+  143.0035 44071.8 58
+  144.0111 152890.3 202
+  144.0804 78608.3 104
+  146.06 17568.2 23
+  151.0324 36807.7 48
+  153.0116 48825.5 64
+  155.0269 20347 27
+  156.0805 16749.3 22
+  157.0065 74273.3 98
+  159.0221 491322.1 652
+  167.0272 78329.8 103
+  171.0222 104862 139
+  179.0276 55731.7 73
+  181.0433 23013.3 30
+  185.0012 453622.1 602
+  185.0366 177438.8 235
+  186.0912 53809.4 71
+  205.9965 59218.9 78
+  206.0384 36427.7 48
+  246.0152 31036.4 41
+//
diff --git a/Eawag/MSBNK-EAWAG-ED140251.txt b/Eawag/MSBNK-EAWAG-ED140251.txt
new file mode 100644
index 0000000000..6ed7e66adc
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED140251.txt
@@ -0,0 +1,52 @@
+ACCESSION: MSBNK-EAWAG-ED140251
+RECORD_TITLE: Aerucyclamide D; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 1402
+CH$NAME: Aerucyclamide D
+CH$NAME: (1R,4S,7R,8S,18S)-4-benzyl-7-methyl-18-(2-methylsulfanylethyl)-6-oxa-13,20-dithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.15,8.112,15]tetracosa-5(24),12(23),14,19(22)-tetraene-2,9,16-trione
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C26H30N6O4S3
+CH$EXACT_MASS: 586.1490664
+CH$SMILES: C[C@@H]1[C@H]2C(=O)NCC3=NC(=CS3)C(=O)N[C@H](C4=N[C@@H](CS4)C(=O)N[C@H](C(=N2)O1)CC5=CC=CC=C5)CCSC
+CH$IUPAC: InChI=1S/C26H30N6O4S3/c1-14-21-24(35)27-11-20-28-18(12-38-20)22(33)29-16(8-9-37-2)26-31-19(13-39-26)23(34)30-17(25(32-21)36-14)10-15-6-4-3-5-7-15/h3-7,12,14,16-17,19,21H,8-11,13H2,1-2H3,(H,27,35)(H,29,33)(H,30,34)/t14-,16+,17+,19+,21+/m1/s1
+CH$LINK: PUBCHEM CID:25156432
+CH$LINK: INCHIKEY MLBROOJXUZKDHY-PKPICYNOSA-N
+CH$LINK: CHEMSPIDER 24641545
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 61-618
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.328 min
+MS$FOCUSED_ION: BASE_PEAK 631.1478
+MS$FOCUSED_ION: PRECURSOR_M/Z 585.1418
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-000i-0000090000-58ca73ae704a2ac61128
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  491.1506 C24H23N6O4S- 2 491.1507 -0.29
+  537.1385 C25H25N6O4S2- 1 537.1384 0.11
+  541.1156 C24H25N6O3S3- 2 541.1156 0.03
+  551.1539 C26H27N6O4S2- 1 551.1541 -0.37
+  585.1417 C26H29N6O4S3- 1 585.1418 -0.18
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  491.1506 29786.5 26
+  537.1385 26961.5 23
+  541.1156 17856.7 15
+  551.1539 17028.3 14
+  585.1417 1138186.6 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED140252.txt b/Eawag/MSBNK-EAWAG-ED140252.txt
new file mode 100644
index 0000000000..9724d31fe6
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED140252.txt
@@ -0,0 +1,50 @@
+ACCESSION: MSBNK-EAWAG-ED140252
+RECORD_TITLE: Aerucyclamide D; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 1402
+CH$NAME: Aerucyclamide D
+CH$NAME: (1R,4S,7R,8S,18S)-4-benzyl-7-methyl-18-(2-methylsulfanylethyl)-6-oxa-13,20-dithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.15,8.112,15]tetracosa-5(24),12(23),14,19(22)-tetraene-2,9,16-trione
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C26H30N6O4S3
+CH$EXACT_MASS: 586.1490664
+CH$SMILES: C[C@@H]1[C@H]2C(=O)NCC3=NC(=CS3)C(=O)N[C@H](C4=N[C@@H](CS4)C(=O)N[C@H](C(=N2)O1)CC5=CC=CC=C5)CCSC
+CH$IUPAC: InChI=1S/C26H30N6O4S3/c1-14-21-24(35)27-11-20-28-18(12-38-20)22(33)29-16(8-9-37-2)26-31-19(13-39-26)23(34)30-17(25(32-21)36-14)10-15-6-4-3-5-7-15/h3-7,12,14,16-17,19,21H,8-11,13H2,1-2H3,(H,27,35)(H,29,33)(H,30,34)/t14-,16+,17+,19+,21+/m1/s1
+CH$LINK: PUBCHEM CID:25156432
+CH$LINK: INCHIKEY MLBROOJXUZKDHY-PKPICYNOSA-N
+CH$LINK: CHEMSPIDER 24641545
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 61-618
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.328 min
+MS$FOCUSED_ION: BASE_PEAK 631.1478
+MS$FOCUSED_ION: PRECURSOR_M/Z 585.1418
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-000i-0000090000-2b198b2ff34de16d91a1
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  126.9972 C4H3N2OS- 1 126.9972 0.49
+  491.1499 C24H23N6O4S- 2 491.1507 -1.53
+  537.1392 C25H25N6O4S2- 2 537.1384 1.47
+  585.142 C26H29N6O4S3- 1 585.1418 0.34
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  126.9972 15871.2 23
+  491.1499 36614.4 53
+  537.1392 90215.1 131
+  585.142 687599.4 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED140253.txt b/Eawag/MSBNK-EAWAG-ED140253.txt
new file mode 100644
index 0000000000..3ffb335319
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED140253.txt
@@ -0,0 +1,56 @@
+ACCESSION: MSBNK-EAWAG-ED140253
+RECORD_TITLE: Aerucyclamide D; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 1402
+CH$NAME: Aerucyclamide D
+CH$NAME: (1R,4S,7R,8S,18S)-4-benzyl-7-methyl-18-(2-methylsulfanylethyl)-6-oxa-13,20-dithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.15,8.112,15]tetracosa-5(24),12(23),14,19(22)-tetraene-2,9,16-trione
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C26H30N6O4S3
+CH$EXACT_MASS: 586.1490664
+CH$SMILES: C[C@@H]1[C@H]2C(=O)NCC3=NC(=CS3)C(=O)N[C@H](C4=N[C@@H](CS4)C(=O)N[C@H](C(=N2)O1)CC5=CC=CC=C5)CCSC
+CH$IUPAC: InChI=1S/C26H30N6O4S3/c1-14-21-24(35)27-11-20-28-18(12-38-20)22(33)29-16(8-9-37-2)26-31-19(13-39-26)23(34)30-17(25(32-21)36-14)10-15-6-4-3-5-7-15/h3-7,12,14,16-17,19,21H,8-11,13H2,1-2H3,(H,27,35)(H,29,33)(H,30,34)/t14-,16+,17+,19+,21+/m1/s1
+CH$LINK: PUBCHEM CID:25156432
+CH$LINK: INCHIKEY MLBROOJXUZKDHY-PKPICYNOSA-N
+CH$LINK: CHEMSPIDER 24641545
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 61-618
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.328 min
+MS$FOCUSED_ION: BASE_PEAK 631.1478
+MS$FOCUSED_ION: PRECURSOR_M/Z 585.1418
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-000i-0200090000-d4e3e27f68940d1c4096
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  126.9971 C4H3N2OS- 1 126.9972 -0.53
+  186.0923 C12H12NO- 3 186.0924 -0.67
+  215.0316 C8H11N2OS2- 4 215.0318 -0.89
+  503.1522 C25H23N6O4S- 2 503.1507 3.07
+  537.1379 C25H25N6O4S2- 1 537.1384 -0.92
+  551.1553 C26H27N6O4S2- 1 551.1541 2.18
+  585.1417 C26H29N6O4S3- 1 585.1418 -0.07
+PK$NUM_PEAK: 7
+PK$PEAK: m/z int. rel.int.
+  126.9971 56206 243
+  186.0923 40283.9 174
+  215.0316 19729.4 85
+  503.1522 33256.5 144
+  537.1379 85613.5 370
+  551.1553 27059.6 117
+  585.1417 230670.7 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED146551.txt b/Eawag/MSBNK-EAWAG-ED146551.txt
new file mode 100644
index 0000000000..50877bde53
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED146551.txt
@@ -0,0 +1,49 @@
+ACCESSION: MSBNK-EAWAG-ED146551
+RECORD_TITLE: Microcyclamide 7806B (and isomers); LC-ESI-QFT; MS2; CE: 15%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.05.01
+AUTHORS: E. Janssen [dtc], V. Rouge [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 1465
+CH$NAME: Microcyclamide 7806B (and isomers)
+CH$NAME: (4R,11S,14S,17S)-4-[(2S)-butan-2-yl]-14-[(1R)-1-hydroxyethyl]-11-methyl-17-propan-2-yl-19-oxa-6-thia-3,10,13,16,21,22-hexazatricyclo[16.2.1.15,8]docosa-1(20),5(22),7,18(21)-tetraene-2,9,12,15-tetrone
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C24H34N6O6S
+CH$EXACT_MASS: 534.2260538
+CH$SMILES: CC[C@H](C)[C@@H]1C2=NC(=CS2)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C3=NC(=CO3)C(=O)N1)C(C)C)[C@@H](C)O)C
+CH$IUPAC: InChI=1S/C24H34N6O6S/c1-7-11(4)17-24-27-15(9-37-24)21(34)25-12(5)19(32)30-18(13(6)31)22(35)28-16(10(2)3)23-26-14(8-36-23)20(33)29-17/h8-13,16-18,31H,7H2,1-6H3,(H,25,34)(H,28,35)(H,29,33)(H,30,32)/t11-,12-,13+,16-,17+,18-/m0/s1
+CH$LINK: CHEBI 210460
+CH$LINK: PUBCHEM CID:139585806
+CH$LINK: INCHIKEY QZBXXIUSHVFCNF-ZIYJYRAWSA-N
+CH$LINK: CHEMSPIDER 78437421
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 56-565
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.973 min
+MS$FOCUSED_ION: BASE_PEAK 533.2187
+MS$FOCUSED_ION: PRECURSOR_M/Z 533.2188
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0019-0000960000-f111173238e091322209
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  309.1017 C19H11N5- 3 309.102 -1.06
+  489.1922 C22H29N6O5S- 2 489.1926 -0.73
+  533.2186 C24H33N6O6S- 1 533.2188 -0.28
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  309.1017 171007.8 40
+  489.1922 4266935 999
+  533.2186 2895669.8 677
+//
diff --git a/Eawag/MSBNK-EAWAG-ED146552.txt b/Eawag/MSBNK-EAWAG-ED146552.txt
new file mode 100644
index 0000000000..4732fd748a
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED146552.txt
@@ -0,0 +1,55 @@
+ACCESSION: MSBNK-EAWAG-ED146552
+RECORD_TITLE: Microcyclamide 7806B (and isomers); LC-ESI-QFT; MS2; CE: 20%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.05.01
+AUTHORS: E. Janssen [dtc], V. Rouge [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 1465
+CH$NAME: Microcyclamide 7806B (and isomers)
+CH$NAME: (4R,11S,14S,17S)-4-[(2S)-butan-2-yl]-14-[(1R)-1-hydroxyethyl]-11-methyl-17-propan-2-yl-19-oxa-6-thia-3,10,13,16,21,22-hexazatricyclo[16.2.1.15,8]docosa-1(20),5(22),7,18(21)-tetraene-2,9,12,15-tetrone
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C24H34N6O6S
+CH$EXACT_MASS: 534.2260538
+CH$SMILES: CC[C@H](C)[C@@H]1C2=NC(=CS2)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C3=NC(=CO3)C(=O)N1)C(C)C)[C@@H](C)O)C
+CH$IUPAC: InChI=1S/C24H34N6O6S/c1-7-11(4)17-24-27-15(9-37-24)21(34)25-12(5)19(32)30-18(13(6)31)22(35)28-16(10(2)3)23-26-14(8-36-23)20(33)29-17/h8-13,16-18,31H,7H2,1-6H3,(H,25,34)(H,28,35)(H,29,33)(H,30,32)/t11-,12-,13+,16-,17+,18-/m0/s1
+CH$LINK: CHEBI 210460
+CH$LINK: PUBCHEM CID:139585806
+CH$LINK: INCHIKEY QZBXXIUSHVFCNF-ZIYJYRAWSA-N
+CH$LINK: CHEMSPIDER 78437421
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 56-565
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.973 min
+MS$FOCUSED_ION: BASE_PEAK 533.2187
+MS$FOCUSED_ION: PRECURSOR_M/Z 533.2188
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-000i-0001900000-61b98410a5451185398b
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  309.1021 C19H11N5- 4 309.102 0.23
+  420.1691 C19H26N5O4S- 3 420.1711 -4.73
+  446.1856 C21H28N5O4S- 2 446.1867 -2.6
+  461.1979 C21H29N6O4S- 2 461.1976 0.59
+  489.1921 C22H29N6O5S- 2 489.1926 -0.85
+  533.2187 C24H33N6O6S- 1 533.2188 -0.17
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  309.1021 983543.6 187
+  420.1691 82494.4 15
+  446.1856 56484.5 10
+  461.1979 78880.7 15
+  489.1921 5241213 999
+  533.2187 472043.3 89
+//
diff --git a/Eawag/MSBNK-EAWAG-ED146553.txt b/Eawag/MSBNK-EAWAG-ED146553.txt
new file mode 100644
index 0000000000..c911a6a655
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED146553.txt
@@ -0,0 +1,63 @@
+ACCESSION: MSBNK-EAWAG-ED146553
+RECORD_TITLE: Microcyclamide 7806B (and isomers); LC-ESI-QFT; MS2; CE: 25%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.05.01
+AUTHORS: E. Janssen [dtc], V. Rouge [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 1465
+CH$NAME: Microcyclamide 7806B (and isomers)
+CH$NAME: (4R,11S,14S,17S)-4-[(2S)-butan-2-yl]-14-[(1R)-1-hydroxyethyl]-11-methyl-17-propan-2-yl-19-oxa-6-thia-3,10,13,16,21,22-hexazatricyclo[16.2.1.15,8]docosa-1(20),5(22),7,18(21)-tetraene-2,9,12,15-tetrone
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C24H34N6O6S
+CH$EXACT_MASS: 534.2260538
+CH$SMILES: CC[C@H](C)[C@@H]1C2=NC(=CS2)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C3=NC(=CO3)C(=O)N1)C(C)C)[C@@H](C)O)C
+CH$IUPAC: InChI=1S/C24H34N6O6S/c1-7-11(4)17-24-27-15(9-37-24)21(34)25-12(5)19(32)30-18(13(6)31)22(35)28-16(10(2)3)23-26-14(8-36-23)20(33)29-17/h8-13,16-18,31H,7H2,1-6H3,(H,25,34)(H,28,35)(H,29,33)(H,30,32)/t11-,12-,13+,16-,17+,18-/m0/s1
+CH$LINK: CHEBI 210460
+CH$LINK: PUBCHEM CID:139585806
+CH$LINK: INCHIKEY QZBXXIUSHVFCNF-ZIYJYRAWSA-N
+CH$LINK: CHEMSPIDER 78437421
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 56-565
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.973 min
+MS$FOCUSED_ION: BASE_PEAK 533.2187
+MS$FOCUSED_ION: PRECURSOR_M/Z 533.2188
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-000i-0003900000-09b08fc3e59c3ccb82aa
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  68.0142 C3H2NO- 1 68.0142 -0.12
+  113.0356 C4H5N2O2- 1 113.0357 -0.24
+  179.082 CH15N4O4S- 3 179.0819 0.1
+  309.1021 C19H11N5- 4 309.102 0.33
+  366.1234 C21H14N6O- 4 366.1235 -0.17
+  378.161 C23H18N6- 3 378.1598 3.16
+  420.1705 C19H26N5O4S- 3 420.1711 -1.39
+  446.1861 C21H28N5O4S- 2 446.1867 -1.51
+  461.1962 C21H29N6O4S- 2 461.1976 -3.18
+  489.1923 C22H29N6O5S- 2 489.1926 -0.6
+PK$NUM_PEAK: 10
+PK$PEAK: m/z int. rel.int.
+  68.0142 289039.9 92
+  113.0356 34963.4 11
+  179.082 114898.9 36
+  309.1021 1392388.8 447
+  366.1234 54717.9 17
+  378.161 41691.3 13
+  420.1705 323028.5 103
+  446.1861 68766.6 22
+  461.1962 74220.9 23
+  489.1923 3110234.2 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED146554.txt b/Eawag/MSBNK-EAWAG-ED146554.txt
new file mode 100644
index 0000000000..2d55834870
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED146554.txt
@@ -0,0 +1,85 @@
+ACCESSION: MSBNK-EAWAG-ED146554
+RECORD_TITLE: Microcyclamide 7806B (and isomers); LC-ESI-QFT; MS2; CE: 30%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.05.01
+AUTHORS: E. Janssen [dtc], V. Rouge [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 1465
+CH$NAME: Microcyclamide 7806B (and isomers)
+CH$NAME: (4R,11S,14S,17S)-4-[(2S)-butan-2-yl]-14-[(1R)-1-hydroxyethyl]-11-methyl-17-propan-2-yl-19-oxa-6-thia-3,10,13,16,21,22-hexazatricyclo[16.2.1.15,8]docosa-1(20),5(22),7,18(21)-tetraene-2,9,12,15-tetrone
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C24H34N6O6S
+CH$EXACT_MASS: 534.2260538
+CH$SMILES: CC[C@H](C)[C@@H]1C2=NC(=CS2)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C3=NC(=CO3)C(=O)N1)C(C)C)[C@@H](C)O)C
+CH$IUPAC: InChI=1S/C24H34N6O6S/c1-7-11(4)17-24-27-15(9-37-24)21(34)25-12(5)19(32)30-18(13(6)31)22(35)28-16(10(2)3)23-26-14(8-36-23)20(33)29-17/h8-13,16-18,31H,7H2,1-6H3,(H,25,34)(H,28,35)(H,29,33)(H,30,32)/t11-,12-,13+,16-,17+,18-/m0/s1
+CH$LINK: CHEBI 210460
+CH$LINK: PUBCHEM CID:139585806
+CH$LINK: INCHIKEY QZBXXIUSHVFCNF-ZIYJYRAWSA-N
+CH$LINK: CHEMSPIDER 78437421
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 56-565
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.973 min
+MS$FOCUSED_ION: BASE_PEAK 533.2187
+MS$FOCUSED_ION: PRECURSOR_M/Z 533.2188
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-05n0-3206900000-ebee0d792f832c974b12
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  68.0142 C3H2NO- 1 68.0142 -0.34
+  110.012 C4H2N2O2- 1 110.0122 -1.22
+  113.0354 C4H5N2O2- 1 113.0357 -1.93
+  126.9969 C4H3N2OS- 1 126.9972 -1.87
+  151.087 H15N4O3S- 3 151.087 -0.01
+  169.0433 C7H9N2OS- 2 169.0441 -4.97
+  179.0818 CH15N4O4S- 3 179.0819 -0.92
+  198.0334 C5H6N6OS- 2 198.0329 2.41
+  223.0901 C9H13N5S- 2 223.0897 1.82
+  232.1082 C10H12N6O- 3 232.1078 1.74
+  264.0816 C12H14N3O2S- 4 264.0812 1.32
+  266.0956 C12H16N3O2S- 3 266.0969 -4.66
+  309.1021 C19H11N5- 4 309.102 0.23
+  323.1175 C20H13N5- 4 323.1176 -0.41
+  366.1233 C21H14N6O- 4 366.1235 -0.42
+  378.1588 C23H18N6- 5 378.1598 -2.89
+  418.1898 C17H30N4O6S- 3 418.1892 1.53
+  420.1703 C19H26N5O4S- 2 420.1711 -1.83
+  432.1194 C21H16N6O5- 2 432.1188 1.48
+  462.1799 C24H24N5O5- 2 462.1783 3.39
+  489.1921 C22H29N6O5S- 2 489.1926 -1.04
+PK$NUM_PEAK: 21
+PK$PEAK: m/z int. rel.int.
+  68.0142 768645.6 534
+  110.012 37395.5 26
+  113.0354 143589.2 99
+  126.9969 20471.4 14
+  151.087 26550.2 18
+  169.0433 76420.7 53
+  179.0818 174409.4 121
+  198.0334 79345.1 55
+  223.0901 61434.6 42
+  232.1082 20094.5 13
+  264.0816 46995.7 32
+  266.0956 68866.9 47
+  309.1021 1380357.2 959
+  323.1175 27202.4 18
+  366.1233 82966.7 57
+  378.1588 42062.3 29
+  418.1898 26281.1 18
+  420.1703 572793.6 398
+  432.1194 15852.7 11
+  462.1799 29193.4 20
+  489.1921 1436435.2 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED146555.txt b/Eawag/MSBNK-EAWAG-ED146555.txt
new file mode 100644
index 0000000000..0cb1413958
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED146555.txt
@@ -0,0 +1,89 @@
+ACCESSION: MSBNK-EAWAG-ED146555
+RECORD_TITLE: Microcyclamide 7806B (and isomers); LC-ESI-QFT; MS2; CE: 35%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.05.01
+AUTHORS: E. Janssen [dtc], V. Rouge [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 1465
+CH$NAME: Microcyclamide 7806B (and isomers)
+CH$NAME: (4R,11S,14S,17S)-4-[(2S)-butan-2-yl]-14-[(1R)-1-hydroxyethyl]-11-methyl-17-propan-2-yl-19-oxa-6-thia-3,10,13,16,21,22-hexazatricyclo[16.2.1.15,8]docosa-1(20),5(22),7,18(21)-tetraene-2,9,12,15-tetrone
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C24H34N6O6S
+CH$EXACT_MASS: 534.2260538
+CH$SMILES: CC[C@H](C)[C@@H]1C2=NC(=CS2)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C3=NC(=CO3)C(=O)N1)C(C)C)[C@@H](C)O)C
+CH$IUPAC: InChI=1S/C24H34N6O6S/c1-7-11(4)17-24-27-15(9-37-24)21(34)25-12(5)19(32)30-18(13(6)31)22(35)28-16(10(2)3)23-26-14(8-36-23)20(33)29-17/h8-13,16-18,31H,7H2,1-6H3,(H,25,34)(H,28,35)(H,29,33)(H,30,32)/t11-,12-,13+,16-,17+,18-/m0/s1
+CH$LINK: CHEBI 210460
+CH$LINK: PUBCHEM CID:139585806
+CH$LINK: INCHIKEY QZBXXIUSHVFCNF-ZIYJYRAWSA-N
+CH$LINK: CHEMSPIDER 78437421
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 35 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 56-565
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.973 min
+MS$FOCUSED_ION: BASE_PEAK 533.2187
+MS$FOCUSED_ION: PRECURSOR_M/Z 533.2188
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-06di-9635600000-b13306e285e92de2e789
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  65.9985 C3NO- 1 65.9985 -0.33
+  68.0142 C3H2NO- 1 68.0142 -0.12
+  82.0174 C3H2N2O- 1 82.0173 1.08
+  83.9912 C3H2NS- 1 83.9913 -1.37
+  110.0124 C4H2N2O2- 1 110.0122 1.97
+  113.0355 C4H5N2O2- 1 113.0357 -0.91
+  126.9969 C4H3N2OS- 1 126.9972 -1.81
+  127.0513 C5H7N2O2- 1 127.0513 -0.35
+  169.0436 C7H9N2OS- 1 169.0441 -2.9
+  170.0558 C4H6N6O2- 1 170.0558 0.34
+  171.0595 C7H11N2OS- 1 171.0598 -1.52
+  179.0819 CH15N4O4S- 3 179.0819 -0.24
+  181.0072 C7H5N2O2S- 2 181.0077 -2.84
+  198.0334 C5H6N6OS- 2 198.0329 2.41
+  223.0897 C9H13N5S- 1 223.0897 0.11
+  224.1029 C8H12N6O2- 2 224.1027 0.95
+  264.0805 C10H12N6OS- 3 264.0799 2.36
+  266.0964 C12H16N3O2S- 3 266.0969 -1.91
+  292.076 C19H8N4- 4 292.0754 1.94
+  309.102 C19H11N5- 4 309.102 0.03
+  378.1592 C23H18N6- 4 378.1598 -1.6
+  420.1701 C19H26N5O4S- 2 420.1711 -2.41
+  489.192 C22H29N6O5S- 2 489.1926 -1.16
+PK$NUM_PEAK: 23
+PK$PEAK: m/z int. rel.int.
+  65.9985 45249.2 39
+  68.0142 1137948.1 999
+  82.0174 18063.1 15
+  83.9912 19225.4 16
+  110.0124 65524.4 57
+  113.0355 333681.9 292
+  126.9969 19151.8 16
+  127.0513 15344.1 13
+  169.0436 111587.1 97
+  170.0558 24881.2 21
+  171.0595 22344.2 19
+  179.0819 185726.2 163
+  181.0072 15533.2 13
+  198.0334 137177.4 120
+  223.0897 101563.3 89
+  224.1029 191697.9 168
+  264.0805 50095.5 43
+  266.0964 78597.9 69
+  292.076 32171.4 28
+  309.102 776593.4 681
+  378.1592 25509.8 22
+  420.1701 432033.8 379
+  489.192 402667.8 353
+//
diff --git a/Eawag/MSBNK-EAWAG-ED146556.txt b/Eawag/MSBNK-EAWAG-ED146556.txt
new file mode 100644
index 0000000000..d063a24e35
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED146556.txt
@@ -0,0 +1,97 @@
+ACCESSION: MSBNK-EAWAG-ED146556
+RECORD_TITLE: Microcyclamide 7806B (and isomers); LC-ESI-QFT; MS2; CE: 40%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.05.01
+AUTHORS: E. Janssen [dtc], V. Rouge [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 1465
+CH$NAME: Microcyclamide 7806B (and isomers)
+CH$NAME: (4R,11S,14S,17S)-4-[(2S)-butan-2-yl]-14-[(1R)-1-hydroxyethyl]-11-methyl-17-propan-2-yl-19-oxa-6-thia-3,10,13,16,21,22-hexazatricyclo[16.2.1.15,8]docosa-1(20),5(22),7,18(21)-tetraene-2,9,12,15-tetrone
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C24H34N6O6S
+CH$EXACT_MASS: 534.2260538
+CH$SMILES: CC[C@H](C)[C@@H]1C2=NC(=CS2)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C3=NC(=CO3)C(=O)N1)C(C)C)[C@@H](C)O)C
+CH$IUPAC: InChI=1S/C24H34N6O6S/c1-7-11(4)17-24-27-15(9-37-24)21(34)25-12(5)19(32)30-18(13(6)31)22(35)28-16(10(2)3)23-26-14(8-36-23)20(33)29-17/h8-13,16-18,31H,7H2,1-6H3,(H,25,34)(H,28,35)(H,29,33)(H,30,32)/t11-,12-,13+,16-,17+,18-/m0/s1
+CH$LINK: CHEBI 210460
+CH$LINK: PUBCHEM CID:139585806
+CH$LINK: INCHIKEY QZBXXIUSHVFCNF-ZIYJYRAWSA-N
+CH$LINK: CHEMSPIDER 78437421
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 56-565
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.973 min
+MS$FOCUSED_ION: BASE_PEAK 533.2187
+MS$FOCUSED_ION: PRECURSOR_M/Z 533.2188
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-014i-9722100000-d748e10b3af120218dca
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  65.9986 C3NO- 1 65.9985 0.6
+  68.0142 C3H2NO- 1 68.0142 -0.12
+  82.0173 C3H2N2O- 1 82.0173 0.52
+  82.0299 C4H4NO- 1 82.0298 0.77
+  83.9915 C3H2NS- 1 83.9913 1.62
+  95.0014 C4HNO2- 1 95.0013 1.76
+  109.0408 C5H5N2O- 1 109.0407 0.46
+  110.0119 C4H2N2O2- 1 110.0122 -2.81
+  113.0355 C4H5N2O2- 1 113.0357 -0.91
+  126.9969 C4H3N2OS- 1 126.9972 -1.87
+  127.051 C5H7N2O2- 1 127.0513 -2.03
+  127.0876 C6H11N2O- 1 127.0877 -0.9
+  139.0511 C6H7N2O2- 1 139.0513 -1.17
+  139.0878 C7H11N2O- 2 139.0877 1.07
+  169.0434 C7H9N2OS- 2 169.0441 -4.43
+  170.0564 C4H6N6O2- 2 170.0558 3.75
+  171.0597 C7H11N2OS- 1 171.0598 -0.45
+  179.0819 CH15N4O4S- 3 179.0819 -0.15
+  181.0073 C7H5N2O2S- 2 181.0077 -2.5
+  195.0593 C9H11N2OS- 2 195.0598 -2.49
+  198.0334 C5H6N6OS- 2 198.0329 2.56
+  223.0897 C9H13N5S- 1 223.0897 -0.17
+  224.103 C8H12N6O2- 3 224.1027 1.35
+  266.0969 C12H16N3O2S- 3 266.0969 0.04
+  309.102 C19H11N5- 4 309.102 -0.07
+  420.1712 C19H26N5O4S- 2 420.1711 0.35
+  489.1923 C22H29N6O5S- 2 489.1926 -0.48
+PK$NUM_PEAK: 27
+PK$PEAK: m/z int. rel.int.
+  65.9986 71326.8 61
+  68.0142 1152966.8 999
+  82.0173 19768.4 17
+  82.0299 19936.5 17
+  83.9915 37923.3 32
+  95.0014 49910.3 43
+  109.0408 14423.1 12
+  110.0119 67462.7 58
+  113.0355 457787 396
+  126.9969 45079.6 39
+  127.051 31655.3 27
+  127.0876 38090.5 33
+  139.0511 23672.8 20
+  139.0878 14982.2 12
+  169.0434 89401 77
+  170.0564 34056.7 29
+  171.0597 20418.8 17
+  179.0819 116634 101
+  181.0073 18194.5 15
+  195.0593 29715.8 25
+  198.0334 141930.2 122
+  223.0897 110211.6 95
+  224.103 221340.2 191
+  266.0969 60032 52
+  309.102 327460 283
+  420.1712 188294.9 163
+  489.1923 78538.2 68
+//
diff --git a/Eawag/MSBNK-EAWAG-ED146557.txt b/Eawag/MSBNK-EAWAG-ED146557.txt
new file mode 100644
index 0000000000..d3f442df0b
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED146557.txt
@@ -0,0 +1,87 @@
+ACCESSION: MSBNK-EAWAG-ED146557
+RECORD_TITLE: Microcyclamide 7806B (and isomers); LC-ESI-QFT; MS2; CE: 50%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.05.01
+AUTHORS: E. Janssen [dtc], V. Rouge [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 1465
+CH$NAME: Microcyclamide 7806B (and isomers)
+CH$NAME: (4R,11S,14S,17S)-4-[(2S)-butan-2-yl]-14-[(1R)-1-hydroxyethyl]-11-methyl-17-propan-2-yl-19-oxa-6-thia-3,10,13,16,21,22-hexazatricyclo[16.2.1.15,8]docosa-1(20),5(22),7,18(21)-tetraene-2,9,12,15-tetrone
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C24H34N6O6S
+CH$EXACT_MASS: 534.2260538
+CH$SMILES: CC[C@H](C)[C@@H]1C2=NC(=CS2)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C3=NC(=CO3)C(=O)N1)C(C)C)[C@@H](C)O)C
+CH$IUPAC: InChI=1S/C24H34N6O6S/c1-7-11(4)17-24-27-15(9-37-24)21(34)25-12(5)19(32)30-18(13(6)31)22(35)28-16(10(2)3)23-26-14(8-36-23)20(33)29-17/h8-13,16-18,31H,7H2,1-6H3,(H,25,34)(H,28,35)(H,29,33)(H,30,32)/t11-,12-,13+,16-,17+,18-/m0/s1
+CH$LINK: CHEBI 210460
+CH$LINK: PUBCHEM CID:139585806
+CH$LINK: INCHIKEY QZBXXIUSHVFCNF-ZIYJYRAWSA-N
+CH$LINK: CHEMSPIDER 78437421
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 56-565
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.973 min
+MS$FOCUSED_ION: BASE_PEAK 533.2187
+MS$FOCUSED_ION: PRECURSOR_M/Z 533.2188
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-014i-9500000000-9c021240f0587da52865
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  57.9757 CNS- 1 57.9757 0.35
+  65.9985 C3NO- 1 65.9985 -0.21
+  67.0064 C3HNO- 1 67.0064 0.52
+  68.0142 C3H2NO- 1 68.0142 -0.12
+  82.0174 C3H2N2O- 1 82.0173 1.27
+  82.0298 C4H4NO- 1 82.0298 -0.72
+  83.9912 C3H2NS- 1 83.9913 -1.74
+  85.0406 C3H5N2O- 1 85.0407 -1.26
+  95.0013 C4HNO2- 1 95.0013 0.23
+  109.0408 C5H5N2O- 1 109.0407 0.95
+  110.0121 C4H2N2O2- 1 110.0122 -0.39
+  113.0355 C4H5N2O2- 1 113.0357 -1.25
+  125.072 C6H9N2O- 1 125.072 -0.59
+  126.9969 C4H3N2OS- 1 126.9972 -1.99
+  127.0512 C5H7N2O2- 1 127.0513 -0.47
+  127.0874 C6H11N2O- 1 127.0877 -1.92
+  137.0716 C7H9N2O- 1 137.072 -3.29
+  153.0667 C7H9N2O2- 1 153.067 -1.58
+  169.0437 C7H9N2OS- 1 169.0441 -2.18
+  195.0595 C9H11N2OS- 1 195.0598 -1.32
+  207.0105 C6H3N6OS- 3 207.0095 4.86
+  223.09 C9H13N5S- 2 223.0897 1.2
+PK$NUM_PEAK: 22
+PK$PEAK: m/z int. rel.int.
+  57.9757 15537.6 15
+  65.9985 149164.8 146
+  67.0064 13445.1 13
+  68.0142 1016758.7 999
+  82.0174 20639.5 20
+  82.0298 31897.2 31
+  83.9912 92031.6 90
+  85.0406 14629 14
+  95.0013 107407.6 105
+  109.0408 28679.4 28
+  110.0121 60656 59
+  113.0355 476096.8 467
+  125.072 20680.8 20
+  126.9969 51611.1 50
+  127.0512 66865.9 65
+  127.0874 53129.4 52
+  137.0716 14983.3 14
+  153.0667 22346.3 21
+  169.0437 28661.2 28
+  195.0595 22705.5 22
+  207.0105 17378.9 17
+  223.09 59184.3 58
+//
diff --git a/Eawag/MSBNK-EAWAG-ED146558.txt b/Eawag/MSBNK-EAWAG-ED146558.txt
new file mode 100644
index 0000000000..487b70a88e
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED146558.txt
@@ -0,0 +1,79 @@
+ACCESSION: MSBNK-EAWAG-ED146558
+RECORD_TITLE: Microcyclamide 7806B (and isomers); LC-ESI-QFT; MS2; CE: 60%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.05.01
+AUTHORS: E. Janssen [dtc], V. Rouge [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 1465
+CH$NAME: Microcyclamide 7806B (and isomers)
+CH$NAME: (4R,11S,14S,17S)-4-[(2S)-butan-2-yl]-14-[(1R)-1-hydroxyethyl]-11-methyl-17-propan-2-yl-19-oxa-6-thia-3,10,13,16,21,22-hexazatricyclo[16.2.1.15,8]docosa-1(20),5(22),7,18(21)-tetraene-2,9,12,15-tetrone
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C24H34N6O6S
+CH$EXACT_MASS: 534.2260538
+CH$SMILES: CC[C@H](C)[C@@H]1C2=NC(=CS2)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C3=NC(=CO3)C(=O)N1)C(C)C)[C@@H](C)O)C
+CH$IUPAC: InChI=1S/C24H34N6O6S/c1-7-11(4)17-24-27-15(9-37-24)21(34)25-12(5)19(32)30-18(13(6)31)22(35)28-16(10(2)3)23-26-14(8-36-23)20(33)29-17/h8-13,16-18,31H,7H2,1-6H3,(H,25,34)(H,28,35)(H,29,33)(H,30,32)/t11-,12-,13+,16-,17+,18-/m0/s1
+CH$LINK: CHEBI 210460
+CH$LINK: PUBCHEM CID:139585806
+CH$LINK: INCHIKEY QZBXXIUSHVFCNF-ZIYJYRAWSA-N
+CH$LINK: CHEMSPIDER 78437421
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 56-565
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.973 min
+MS$FOCUSED_ION: BASE_PEAK 533.2187
+MS$FOCUSED_ION: PRECURSOR_M/Z 533.2188
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-014i-9300000000-6fa1ed2d4460a276ccda
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  57.9756 CNS- 1 57.9757 -1.36
+  65.9985 C3NO- 1 65.9985 -0.09
+  67.0064 C3HNO- 1 67.0064 0.52
+  68.0142 C3H2NO- 1 68.0142 -0.23
+  82.0298 C4H4NO- 1 82.0298 -0.63
+  83.9913 C3H2NS- 1 83.9913 -0.38
+  95.0011 C4HNO2- 1 95.0013 -1.46
+  109.0407 C5H5N2O- 1 109.0407 -0.03
+  110.0121 C4H2N2O2- 1 110.0122 -0.94
+  113.0355 C4H5N2O2- 1 113.0357 -1.32
+  125.0718 C6H9N2O- 1 125.072 -2.18
+  126.9968 C4H3N2OS- 1 126.9972 -2.65
+  127.051 C5H7N2O2- 1 127.0513 -2.09
+  127.0875 C6H11N2O- 1 127.0877 -1.68
+  137.0718 C7H9N2O- 1 137.072 -1.39
+  153.0128 C6H5N2OS- 1 153.0128 0.15
+  179.0829 C9H11N2O2- 2 179.0826 1.58
+  223.0907 C9H13N5S- 2 223.0897 4.55
+PK$NUM_PEAK: 18
+PK$PEAK: m/z int. rel.int.
+  57.9756 17401.6 18
+  65.9985 255631.3 265
+  67.0064 33761 35
+  68.0142 963635 999
+  82.0298 31465.3 32
+  83.9913 148038.8 153
+  95.0011 102521.7 106
+  109.0407 31790.5 32
+  110.0121 37817.8 39
+  113.0355 303537.8 314
+  125.0718 25279.6 26
+  126.9968 39213.8 40
+  127.051 74301.5 77
+  127.0875 67888.4 70
+  137.0718 15701.5 16
+  153.0128 13861 14
+  179.0829 19876.1 20
+  223.0907 17214 17
+//
diff --git a/Eawag/MSBNK-EAWAG-ED146559.txt b/Eawag/MSBNK-EAWAG-ED146559.txt
new file mode 100644
index 0000000000..e59ed33bc5
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED146559.txt
@@ -0,0 +1,73 @@
+ACCESSION: MSBNK-EAWAG-ED146559
+RECORD_TITLE: Microcyclamide 7806B (and isomers); LC-ESI-QFT; MS2; CE: 70%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.05.01
+AUTHORS: E. Janssen [dtc], V. Rouge [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 1465
+CH$NAME: Microcyclamide 7806B (and isomers)
+CH$NAME: (4R,11S,14S,17S)-4-[(2S)-butan-2-yl]-14-[(1R)-1-hydroxyethyl]-11-methyl-17-propan-2-yl-19-oxa-6-thia-3,10,13,16,21,22-hexazatricyclo[16.2.1.15,8]docosa-1(20),5(22),7,18(21)-tetraene-2,9,12,15-tetrone
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C24H34N6O6S
+CH$EXACT_MASS: 534.2260538
+CH$SMILES: CC[C@H](C)[C@@H]1C2=NC(=CS2)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C3=NC(=CO3)C(=O)N1)C(C)C)[C@@H](C)O)C
+CH$IUPAC: InChI=1S/C24H34N6O6S/c1-7-11(4)17-24-27-15(9-37-24)21(34)25-12(5)19(32)30-18(13(6)31)22(35)28-16(10(2)3)23-26-14(8-36-23)20(33)29-17/h8-13,16-18,31H,7H2,1-6H3,(H,25,34)(H,28,35)(H,29,33)(H,30,32)/t11-,12-,13+,16-,17+,18-/m0/s1
+CH$LINK: CHEBI 210460
+CH$LINK: PUBCHEM CID:139585806
+CH$LINK: INCHIKEY QZBXXIUSHVFCNF-ZIYJYRAWSA-N
+CH$LINK: CHEMSPIDER 78437421
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 56-565
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.973 min
+MS$FOCUSED_ION: BASE_PEAK 533.2187
+MS$FOCUSED_ION: PRECURSOR_M/Z 533.2188
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-014i-9200000000-9d3241ce43ed0170eb2f
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  57.9758 CNS- 1 57.9757 1.41
+  65.9986 C3NO- 1 65.9985 0.37
+  67.0064 C3HNO- 1 67.0064 1.09
+  68.0142 C3H2NO- 1 68.0142 0.11
+  82.0299 C4H4NO- 1 82.0298 1.33
+  83.9913 C3H2NS- 1 83.9913 -0.74
+  95.0013 C4HNO2- 1 95.0013 -0.01
+  108.0092 C5H2NO2- 1 108.0091 1.18
+  109.0408 C5H5N2O- 1 109.0407 0.18
+  110.0123 C4H2N2O2- 1 110.0122 1.49
+  113.0355 C4H5N2O2- 1 113.0357 -0.91
+  125.0721 C6H9N2O- 2 125.072 0.57
+  126.9973 C4H3N2OS- 1 126.9972 1.19
+  127.0513 C5H7N2O2- 1 127.0513 0.25
+  127.0877 C6H11N2O- 1 127.0877 0.3
+PK$NUM_PEAK: 15
+PK$PEAK: m/z int. rel.int.
+  57.9758 19807.6 24
+  65.9986 349926.8 431
+  67.0064 27494.8 33
+  68.0142 809612 999
+  82.0299 28042.8 34
+  83.9913 146387 180
+  95.0013 70507.9 87
+  108.0092 18930.9 23
+  109.0408 22877.8 28
+  110.0123 20143.2 24
+  113.0355 174583.4 215
+  125.0721 24780.3 30
+  126.9973 26952.3 33
+  127.0513 39619.6 48
+  127.0877 49194.2 60
+//
diff --git a/Eawag/MSBNK-EAWAG-ED146901.txt b/Eawag/MSBNK-EAWAG-ED146901.txt
new file mode 100644
index 0000000000..c9c6cf4fc1
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED146901.txt
@@ -0,0 +1,44 @@
+ACCESSION: MSBNK-EAWAG-ED146901
+RECORD_TITLE: Aerucyclamide C; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2a
+COMMENT: CyanoMetDB_ID 1469
+CH$NAME: Aerucyclamide C
+CH$NAME: (4S,7R,8S,11S,18R)-18-[(2S)-butan-2-yl]-4,7-dimethyl-11-propan-2-yl-6,13-dioxa-20-thia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.15,8.112,15]tetracosa-1(21),5(24),12(23),14,19(22)-pentaene-2,9,16-trione
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C24H32N6O5S
+CH$EXACT_MASS: 516.2154891
+CH$SMILES: CC[C@H](C)[C@@H]1C2=NC(=CS2)C(=O)N[C@H](C3=N[C@@H]([C@H](O3)C)C(=O)N[C@H](C4=NC(=CO4)C(=O)N1)C(C)C)C
+CH$IUPAC: InChI=1S/C24H32N6O5S/c1-7-11(4)17-24-27-15(9-36-24)20(32)25-12(5)22-30-18(13(6)35-22)21(33)28-16(10(2)3)23-26-14(8-34-23)19(31)29-17/h8-13,16-18H,7H2,1-6H3,(H,25,32)(H,28,33)(H,29,31)/t11-,12-,13+,16-,17+,18-/m0/s1
+CH$LINK: PUBCHEM CID:25156431
+CH$LINK: INCHIKEY MQIAICAGVFTAAN-ZIYJYRAWSA-N
+CH$LINK: CHEMSPIDER 24636795
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 54-549
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 11.170 min
+MS$FOCUSED_ION: BASE_PEAK 517.2223
+MS$FOCUSED_ION: PRECURSOR_M/Z 517.2228
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-014i-0000090000-c00f11038ffe2e2ae0ab
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  517.2223 C24H33N6O5S+ 1 517.2228 -0.97
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  517.2223 34188752 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED146902.txt b/Eawag/MSBNK-EAWAG-ED146902.txt
new file mode 100644
index 0000000000..f46c93b0cf
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED146902.txt
@@ -0,0 +1,58 @@
+ACCESSION: MSBNK-EAWAG-ED146902
+RECORD_TITLE: Aerucyclamide C; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2a
+COMMENT: CyanoMetDB_ID 1469
+CH$NAME: Aerucyclamide C
+CH$NAME: (4S,7R,8S,11S,18R)-18-[(2S)-butan-2-yl]-4,7-dimethyl-11-propan-2-yl-6,13-dioxa-20-thia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.15,8.112,15]tetracosa-1(21),5(24),12(23),14,19(22)-pentaene-2,9,16-trione
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C24H32N6O5S
+CH$EXACT_MASS: 516.2154891
+CH$SMILES: CC[C@H](C)[C@@H]1C2=NC(=CS2)C(=O)N[C@H](C3=N[C@@H]([C@H](O3)C)C(=O)N[C@H](C4=NC(=CO4)C(=O)N1)C(C)C)C
+CH$IUPAC: InChI=1S/C24H32N6O5S/c1-7-11(4)17-24-27-15(9-36-24)20(32)25-12(5)22-30-18(13(6)35-22)21(33)28-16(10(2)3)23-26-14(8-34-23)19(31)29-17/h8-13,16-18H,7H2,1-6H3,(H,25,32)(H,28,33)(H,29,31)/t11-,12-,13+,16-,17+,18-/m0/s1
+CH$LINK: PUBCHEM CID:25156431
+CH$LINK: INCHIKEY MQIAICAGVFTAAN-ZIYJYRAWSA-N
+CH$LINK: CHEMSPIDER 24636795
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 54-549
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 11.170 min
+MS$FOCUSED_ION: BASE_PEAK 517.2223
+MS$FOCUSED_ION: PRECURSOR_M/Z 517.2228
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-014i-0000090000-544d6c75a8d8f7d2291c
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  84.0443 C4H6NO+ 1 84.0444 -1.42
+  223.0892 C9H13N5S+ 2 223.0886 2.7
+  251.0842 C10H13N5OS+ 2 251.0835 2.5
+  406.1904 C19H28N5O3S+ 3 406.1907 -0.87
+  434.1852 C20H28N5O4S+ 2 434.1857 -1.11
+  489.227 C23H33N6O4S+ 1 489.2279 -1.69
+  499.2127 C24H31N6O4S+ 1 499.2122 0.99
+  517.2223 C24H33N6O5S+ 1 517.2228 -0.97
+PK$NUM_PEAK: 8
+PK$PEAK: m/z int. rel.int.
+  84.0443 879823.4 29
+  223.0892 684361.8 22
+  251.0842 513228.7 17
+  406.1904 477878.9 15
+  434.1852 690618.2 23
+  489.227 666832.5 22
+  499.2127 427927 14
+  517.2223 29988500 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED146903.txt b/Eawag/MSBNK-EAWAG-ED146903.txt
new file mode 100644
index 0000000000..0d2e4c6c34
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED146903.txt
@@ -0,0 +1,74 @@
+ACCESSION: MSBNK-EAWAG-ED146903
+RECORD_TITLE: Aerucyclamide C; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2a
+COMMENT: CyanoMetDB_ID 1469
+CH$NAME: Aerucyclamide C
+CH$NAME: (4S,7R,8S,11S,18R)-18-[(2S)-butan-2-yl]-4,7-dimethyl-11-propan-2-yl-6,13-dioxa-20-thia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.15,8.112,15]tetracosa-1(21),5(24),12(23),14,19(22)-pentaene-2,9,16-trione
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C24H32N6O5S
+CH$EXACT_MASS: 516.2154891
+CH$SMILES: CC[C@H](C)[C@@H]1C2=NC(=CS2)C(=O)N[C@H](C3=N[C@@H]([C@H](O3)C)C(=O)N[C@H](C4=NC(=CO4)C(=O)N1)C(C)C)C
+CH$IUPAC: InChI=1S/C24H32N6O5S/c1-7-11(4)17-24-27-15(9-36-24)20(32)25-12(5)22-30-18(13(6)35-22)21(33)28-16(10(2)3)23-26-14(8-34-23)19(31)29-17/h8-13,16-18H,7H2,1-6H3,(H,25,32)(H,28,33)(H,29,31)/t11-,12-,13+,16-,17+,18-/m0/s1
+CH$LINK: PUBCHEM CID:25156431
+CH$LINK: INCHIKEY MQIAICAGVFTAAN-ZIYJYRAWSA-N
+CH$LINK: CHEMSPIDER 24636795
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 54-549
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 11.170 min
+MS$FOCUSED_ION: BASE_PEAK 517.2223
+MS$FOCUSED_ION: PRECURSOR_M/Z 517.2228
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-014i-1030290000-a1d7aed6df7e21140265
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  84.0443 C4H6NO+ 1 84.0444 -1.05
+  110.0601 C6H8NO+ 1 110.06 0.64
+  197.0737 C9H13N2OS+ 2 197.0743 -3.35
+  198.0577 C9H12NO2S+ 2 198.0583 -2.94
+  210.1229 C2H20N5O4S+ 3 210.1231 -0.72
+  223.0892 C9H13N5S+ 2 223.0886 2.7
+  251.0839 C10H13N5OS+ 2 251.0835 1.28
+  267.1441 C4H23N6O5S+ 2 267.1445 -1.61
+  351.1469 C21H21NO4+ 4 351.1465 1.05
+  363.1489 C17H23N4O3S+ 3 363.1485 1
+  406.1899 C19H28N5O3S+ 2 406.1907 -2.14
+  432.1609 C24H24N4O2S+ 2 432.1614 -1.33
+  434.1852 C20H28N5O4S+ 2 434.1857 -1.04
+  489.2269 C23H33N6O4S+ 1 489.2279 -2
+  499.2119 C24H31N6O4S+ 1 499.2122 -0.54
+  517.2223 C24H33N6O5S+ 1 517.2228 -0.86
+PK$NUM_PEAK: 16
+PK$PEAK: m/z int. rel.int.
+  84.0443 2480801.5 141
+  110.0601 254966.6 14
+  197.0737 403847.1 23
+  198.0577 276222.2 15
+  210.1229 243390 13
+  223.0892 3792251 217
+  251.0839 1758412.9 100
+  267.1441 381815.7 21
+  351.1469 272174.7 15
+  363.1489 446799.4 25
+  406.1899 1605903.5 91
+  432.1609 539662.8 30
+  434.1852 897847.6 51
+  489.2269 1116322.2 63
+  499.2119 1037430.8 59
+  517.2223 17456526 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED146904.txt b/Eawag/MSBNK-EAWAG-ED146904.txt
new file mode 100644
index 0000000000..1207de3a7f
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED146904.txt
@@ -0,0 +1,86 @@
+ACCESSION: MSBNK-EAWAG-ED146904
+RECORD_TITLE: Aerucyclamide C; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2a
+COMMENT: CyanoMetDB_ID 1469
+CH$NAME: Aerucyclamide C
+CH$NAME: (4S,7R,8S,11S,18R)-18-[(2S)-butan-2-yl]-4,7-dimethyl-11-propan-2-yl-6,13-dioxa-20-thia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.15,8.112,15]tetracosa-1(21),5(24),12(23),14,19(22)-pentaene-2,9,16-trione
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C24H32N6O5S
+CH$EXACT_MASS: 516.2154891
+CH$SMILES: CC[C@H](C)[C@@H]1C2=NC(=CS2)C(=O)N[C@H](C3=N[C@@H]([C@H](O3)C)C(=O)N[C@H](C4=NC(=CO4)C(=O)N1)C(C)C)C
+CH$IUPAC: InChI=1S/C24H32N6O5S/c1-7-11(4)17-24-27-15(9-36-24)20(32)25-12(5)22-30-18(13(6)35-22)21(33)28-16(10(2)3)23-26-14(8-34-23)19(31)29-17/h8-13,16-18H,7H2,1-6H3,(H,25,32)(H,28,33)(H,29,31)/t11-,12-,13+,16-,17+,18-/m0/s1
+CH$LINK: PUBCHEM CID:25156431
+CH$LINK: INCHIKEY MQIAICAGVFTAAN-ZIYJYRAWSA-N
+CH$LINK: CHEMSPIDER 24636795
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 54-549
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 11.170 min
+MS$FOCUSED_ION: BASE_PEAK 517.2223
+MS$FOCUSED_ION: PRECURSOR_M/Z 517.2228
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00xr-3291440000-bd4f74538b933e494668
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  82.0649 C5H8N+ 1 82.0651 -2.79
+  84.0443 C4H6NO+ 1 84.0444 -0.78
+  110.0598 C6H8NO+ 1 110.06 -2.07
+  167.0812 H15N4O4S+ 2 167.0809 1.94
+  168.0653 C8H10NO3+ 2 168.0655 -1.37
+  197.0738 C9H13N2OS+ 2 197.0743 -2.58
+  198.0577 C9H12NO2S+ 2 198.0583 -2.94
+  210.1231 C2H20N5O4S+ 3 210.1231 0.01
+  223.0892 C9H13N5S+ 2 223.0886 2.77
+  251.0839 C10H13N5OS+ 2 251.0835 1.52
+  262.0994 C11H14N6S+ 3 262.0995 -0.48
+  267.1444 C4H23N6O5S+ 2 267.1445 -0.36
+  333.1371 C16H21N4O2S+ 3 333.138 -2.69
+  351.147 C21H21NO4+ 3 351.1465 1.4
+  363.1488 C17H23N4O3S+ 3 363.1485 0.75
+  389.1668 C21H27NO4S+ 3 389.1655 3.36
+  406.1905 C19H28N5O3S+ 3 406.1907 -0.49
+  432.1608 C24H24N4O2S+ 2 432.1614 -1.48
+  446.1871 C21H28N5O4S+ 3 446.1857 3.2
+  489.2286 C23H33N6O4S+ 1 489.2279 1.49
+  499.2116 C24H31N6O4S+ 1 499.2122 -1.15
+  517.2224 C24H33N6O5S+ 1 517.2228 -0.62
+PK$NUM_PEAK: 22
+PK$PEAK: m/z int. rel.int.
+  82.0649 91036.9 11
+  84.0443 3525106.5 457
+  110.0598 427371.6 55
+  167.0812 567874.8 73
+  168.0653 80794.2 10
+  197.0738 1035653.7 134
+  198.0577 1206174.1 156
+  210.1231 492552.8 63
+  223.0892 7689530.5 999
+  251.0839 1920972.4 249
+  262.0994 110238.3 14
+  267.1444 226273.2 29
+  333.1371 265667.4 34
+  351.147 302556.7 39
+  363.1488 464682.6 60
+  389.1668 392323.2 50
+  406.1905 2106516.5 273
+  432.1608 665492.8 86
+  446.1871 254426.7 33
+  489.2286 626450.3 81
+  499.2116 1022493.9 132
+  517.2224 5288553 687
+//
diff --git a/Eawag/MSBNK-EAWAG-ED146905.txt b/Eawag/MSBNK-EAWAG-ED146905.txt
new file mode 100644
index 0000000000..71e5c5d4a9
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED146905.txt
@@ -0,0 +1,82 @@
+ACCESSION: MSBNK-EAWAG-ED146905
+RECORD_TITLE: Aerucyclamide C; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2a
+COMMENT: CyanoMetDB_ID 1469
+CH$NAME: Aerucyclamide C
+CH$NAME: (4S,7R,8S,11S,18R)-18-[(2S)-butan-2-yl]-4,7-dimethyl-11-propan-2-yl-6,13-dioxa-20-thia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.15,8.112,15]tetracosa-1(21),5(24),12(23),14,19(22)-pentaene-2,9,16-trione
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C24H32N6O5S
+CH$EXACT_MASS: 516.2154891
+CH$SMILES: CC[C@H](C)[C@@H]1C2=NC(=CS2)C(=O)N[C@H](C3=N[C@@H]([C@H](O3)C)C(=O)N[C@H](C4=NC(=CO4)C(=O)N1)C(C)C)C
+CH$IUPAC: InChI=1S/C24H32N6O5S/c1-7-11(4)17-24-27-15(9-36-24)20(32)25-12(5)22-30-18(13(6)35-22)21(33)28-16(10(2)3)23-26-14(8-34-23)19(31)29-17/h8-13,16-18H,7H2,1-6H3,(H,25,32)(H,28,33)(H,29,31)/t11-,12-,13+,16-,17+,18-/m0/s1
+CH$LINK: PUBCHEM CID:25156431
+CH$LINK: INCHIKEY MQIAICAGVFTAAN-ZIYJYRAWSA-N
+CH$LINK: CHEMSPIDER 24636795
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 54-549
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 11.170 min
+MS$FOCUSED_ION: BASE_PEAK 517.2223
+MS$FOCUSED_ION: PRECURSOR_M/Z 517.2228
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-006t-3960000000-8c799da1f5dea2943bff
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  56.0494 C3H6N+ 1 56.0495 -0.5
+  72.0808 C4H10N+ 1 72.0808 0.89
+  82.0651 C5H8N+ 1 82.0651 -0.65
+  84.0443 C4H6NO+ 1 84.0444 -0.6
+  98.0963 C6H12N+ 1 98.0964 -1.29
+  110.0598 C6H8NO+ 1 110.06 -2.41
+  155.027 C6H7N2OS+ 1 155.0274 -2.3
+  167.0811 H15N4O4S+ 2 167.0809 1.48
+  168.0653 C8H10NO3+ 2 168.0655 -1.1
+  179.0635 C9H11N2S+ 1 179.0637 -1.52
+  180.0476 C9H10NOS+ 1 180.0478 -0.99
+  197.0738 C9H13N2OS+ 2 197.0743 -2.42
+  198.0578 C9H12NO2S+ 2 198.0583 -2.56
+  210.1232 C2H20N5O4S+ 3 210.1231 0.66
+  223.0892 C9H13N5S+ 2 223.0886 2.77
+  251.0835 C10H13N5OS+ 1 251.0835 -0.06
+  301.0994 C14H15N5OS+ 2 301.0992 0.79
+  333.1373 C16H21N4O2S+ 3 333.138 -2.14
+  364.1319 C23H16N4O+ 4 364.1319 0.12
+  406.19 C19H28N5O3S+ 2 406.1907 -1.77
+PK$NUM_PEAK: 20
+PK$PEAK: m/z int. rel.int.
+  56.0494 178249.7 22
+  72.0808 153316 19
+  82.0651 191057.9 23
+  84.0443 3406209 424
+  98.0963 203944.3 25
+  110.0598 624547.1 77
+  155.027 126154.3 15
+  167.0811 1039033.3 129
+  168.0653 598210.2 74
+  179.0635 102137.2 12
+  180.0476 730954.8 91
+  197.0738 1500081.9 187
+  198.0578 6961462.5 868
+  210.1232 397002.3 49
+  223.0892 8011714.5 999
+  251.0835 397733.5 49
+  301.0994 92303.2 11
+  333.1373 149933.1 18
+  364.1319 251303.3 31
+  406.19 505226.2 62
+//
diff --git a/Eawag/MSBNK-EAWAG-ED146906.txt b/Eawag/MSBNK-EAWAG-ED146906.txt
new file mode 100644
index 0000000000..02df3dc3e8
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED146906.txt
@@ -0,0 +1,70 @@
+ACCESSION: MSBNK-EAWAG-ED146906
+RECORD_TITLE: Aerucyclamide C; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2a
+COMMENT: CyanoMetDB_ID 1469
+CH$NAME: Aerucyclamide C
+CH$NAME: (4S,7R,8S,11S,18R)-18-[(2S)-butan-2-yl]-4,7-dimethyl-11-propan-2-yl-6,13-dioxa-20-thia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.15,8.112,15]tetracosa-1(21),5(24),12(23),14,19(22)-pentaene-2,9,16-trione
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C24H32N6O5S
+CH$EXACT_MASS: 516.2154891
+CH$SMILES: CC[C@H](C)[C@@H]1C2=NC(=CS2)C(=O)N[C@H](C3=N[C@@H]([C@H](O3)C)C(=O)N[C@H](C4=NC(=CO4)C(=O)N1)C(C)C)C
+CH$IUPAC: InChI=1S/C24H32N6O5S/c1-7-11(4)17-24-27-15(9-36-24)20(32)25-12(5)22-30-18(13(6)35-22)21(33)28-16(10(2)3)23-26-14(8-34-23)19(31)29-17/h8-13,16-18H,7H2,1-6H3,(H,25,32)(H,28,33)(H,29,31)/t11-,12-,13+,16-,17+,18-/m0/s1
+CH$LINK: PUBCHEM CID:25156431
+CH$LINK: INCHIKEY MQIAICAGVFTAAN-ZIYJYRAWSA-N
+CH$LINK: CHEMSPIDER 24636795
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 54-549
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 11.170 min
+MS$FOCUSED_ION: BASE_PEAK 517.2223
+MS$FOCUSED_ION: PRECURSOR_M/Z 517.2228
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0002-2900000000-6f721e0eaca9ad7afc15
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  56.0496 C3H6N+ 1 56.0495 1.47
+  72.0807 C4H10N+ 1 72.0808 -0.81
+  82.0651 C5H8N+ 1 82.0651 -0.28
+  84.0443 C4H6NO+ 1 84.0444 -0.6
+  98.0962 C6H12N+ 1 98.0964 -1.92
+  110.0599 C6H8NO+ 1 110.06 -1.23
+  152.053 C8H10NS+ 1 152.0528 0.82
+  155.027 C6H7N2OS+ 1 155.0274 -2.5
+  168.0652 C8H10NO3+ 2 168.0655 -1.74
+  179.0633 C9H11N2S+ 1 179.0637 -2.71
+  180.0474 C9H10NOS+ 1 180.0478 -2.01
+  197.0738 C9H13N2OS+ 2 197.0743 -2.42
+  198.0578 C9H12NO2S+ 2 198.0583 -2.71
+  301.0999 C14H15N5OS+ 3 301.0992 2.51
+PK$NUM_PEAK: 14
+PK$PEAK: m/z int. rel.int.
+  56.0496 249486.8 19
+  72.0807 219345.8 17
+  82.0651 195038.8 15
+  84.0443 2913213 231
+  98.0962 181917.1 14
+  110.0599 558717.1 44
+  152.053 237860.2 18
+  155.027 148687.7 11
+  168.0652 1415428.4 112
+  179.0633 138292.8 11
+  180.0474 1210521.5 96
+  197.0738 496918.5 39
+  198.0578 12546944 999
+  301.0999 245603.1 19
+//
diff --git a/Eawag/MSBNK-EAWAG-ED146907.txt b/Eawag/MSBNK-EAWAG-ED146907.txt
new file mode 100644
index 0000000000..c98d5d19f2
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED146907.txt
@@ -0,0 +1,78 @@
+ACCESSION: MSBNK-EAWAG-ED146907
+RECORD_TITLE: Aerucyclamide C; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2a
+COMMENT: CyanoMetDB_ID 1469
+CH$NAME: Aerucyclamide C
+CH$NAME: (4S,7R,8S,11S,18R)-18-[(2S)-butan-2-yl]-4,7-dimethyl-11-propan-2-yl-6,13-dioxa-20-thia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.15,8.112,15]tetracosa-1(21),5(24),12(23),14,19(22)-pentaene-2,9,16-trione
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C24H32N6O5S
+CH$EXACT_MASS: 516.2154891
+CH$SMILES: CC[C@H](C)[C@@H]1C2=NC(=CS2)C(=O)N[C@H](C3=N[C@@H]([C@H](O3)C)C(=O)N[C@H](C4=NC(=CO4)C(=O)N1)C(C)C)C
+CH$IUPAC: InChI=1S/C24H32N6O5S/c1-7-11(4)17-24-27-15(9-36-24)20(32)25-12(5)22-30-18(13(6)35-22)21(33)28-16(10(2)3)23-26-14(8-34-23)19(31)29-17/h8-13,16-18H,7H2,1-6H3,(H,25,32)(H,28,33)(H,29,31)/t11-,12-,13+,16-,17+,18-/m0/s1
+CH$LINK: PUBCHEM CID:25156431
+CH$LINK: INCHIKEY MQIAICAGVFTAAN-ZIYJYRAWSA-N
+CH$LINK: CHEMSPIDER 24636795
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 54-549
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 11.170 min
+MS$FOCUSED_ION: BASE_PEAK 517.2223
+MS$FOCUSED_ION: PRECURSOR_M/Z 517.2228
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0002-1900000000-4b178042ee1c934aed53
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  56.0494 C3H6N+ 1 56.0495 -1.32
+  69.0698 C5H9+ 1 69.0699 -1.44
+  72.0807 C4H10N+ 1 72.0808 -1.55
+  84.0443 C4H6NO+ 1 84.0444 -1.05
+  94.0651 C6H8N+ 1 94.0651 -0.55
+  98.0963 C6H12N+ 1 98.0964 -1.76
+  110.0599 C6H8NO+ 1 110.06 -1.72
+  111.9848 C4H2NOS+ 1 111.9852 -2.85
+  125.0415 C7H9S+ 1 125.0419 -3.48
+  150.055 H12N3O4S+ 3 150.0543 4.67
+  152.0526 C8H10NS+ 1 152.0528 -1.78
+  167.0812 H15N4O4S+ 2 167.0809 1.94
+  168.0652 C8H10NO3+ 2 168.0655 -1.65
+  179.0637 C9H11N2S+ 1 179.0637 -0.16
+  180.0473 C9H10NOS+ 2 180.0478 -2.52
+  198.0577 C9H12NO2S+ 2 198.0583 -3.1
+  212.0735 C10H14NO2S+ 2 212.074 -2.21
+  223.0891 C9H13N5S+ 2 223.0886 2.29
+PK$NUM_PEAK: 18
+PK$PEAK: m/z int. rel.int.
+  56.0494 317270.7 21
+  69.0698 343373.6 23
+  72.0807 255970.7 17
+  84.0443 2480721 170
+  94.0651 166909 11
+  98.0963 175095.5 12
+  110.0599 484576.7 33
+  111.9848 158534.1 10
+  125.0415 206642.9 14
+  150.055 152950.1 10
+  152.0526 420428.3 28
+  167.0812 627454.7 43
+  168.0652 2065284 141
+  179.0637 196556.4 13
+  180.0473 1326697.5 91
+  198.0577 14547428 999
+  212.0735 259100 17
+  223.0891 816835.1 56
+//
diff --git a/Eawag/MSBNK-EAWAG-ED146908.txt b/Eawag/MSBNK-EAWAG-ED146908.txt
new file mode 100644
index 0000000000..842ff91d51
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED146908.txt
@@ -0,0 +1,82 @@
+ACCESSION: MSBNK-EAWAG-ED146908
+RECORD_TITLE: Aerucyclamide C; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2a
+COMMENT: CyanoMetDB_ID 1469
+CH$NAME: Aerucyclamide C
+CH$NAME: (4S,7R,8S,11S,18R)-18-[(2S)-butan-2-yl]-4,7-dimethyl-11-propan-2-yl-6,13-dioxa-20-thia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.15,8.112,15]tetracosa-1(21),5(24),12(23),14,19(22)-pentaene-2,9,16-trione
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C24H32N6O5S
+CH$EXACT_MASS: 516.2154891
+CH$SMILES: CC[C@H](C)[C@@H]1C2=NC(=CS2)C(=O)N[C@H](C3=N[C@@H]([C@H](O3)C)C(=O)N[C@H](C4=NC(=CO4)C(=O)N1)C(C)C)C
+CH$IUPAC: InChI=1S/C24H32N6O5S/c1-7-11(4)17-24-27-15(9-36-24)20(32)25-12(5)22-30-18(13(6)35-22)21(33)28-16(10(2)3)23-26-14(8-34-23)19(31)29-17/h8-13,16-18H,7H2,1-6H3,(H,25,32)(H,28,33)(H,29,31)/t11-,12-,13+,16-,17+,18-/m0/s1
+CH$LINK: PUBCHEM CID:25156431
+CH$LINK: INCHIKEY MQIAICAGVFTAAN-ZIYJYRAWSA-N
+CH$LINK: CHEMSPIDER 24636795
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 54-549
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 11.170 min
+MS$FOCUSED_ION: BASE_PEAK 517.2223
+MS$FOCUSED_ION: PRECURSOR_M/Z 517.2228
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0002-2900000000-0405467ad7138f36f7a8
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  56.0494 C3H6N+ 1 56.0495 -0.5
+  67.0541 C5H7+ 1 67.0542 -1.63
+  69.0698 C5H9+ 1 69.0699 -0.77
+  72.0808 C4H10N+ 1 72.0808 0.25
+  84.0443 C4H6NO+ 1 84.0444 -1.24
+  91.0539 C7H7+ 1 91.0542 -3.19
+  94.065 C6H8N+ 1 94.0651 -1.28
+  96.0077 C4H2NO2+ 1 96.008 -2.77
+  98.096 C6H12N+ 1 98.0964 -4.09
+  110.06 C6H8NO+ 1 110.06 -0.75
+  111.9851 C4H2NOS+ 1 111.9852 -0.81
+  122.0598 C7H8NO+ 1 122.06 -1.7
+  125.0418 C7H9S+ 1 125.0419 -0.98
+  137.0294 C7H7NS+ 1 137.0294 0.1
+  152.0525 C8H10NS+ 1 152.0528 -2.39
+  167.081 H15N4O4S+ 3 167.0809 0.84
+  179.0637 C9H11N2S+ 1 179.0637 -0.33
+  180.0473 C9H10NOS+ 1 180.0478 -2.35
+  198.0577 C9H12NO2S+ 2 198.0583 -3.33
+  223.0893 C9H13N5S+ 2 223.0886 2.91
+PK$NUM_PEAK: 20
+PK$PEAK: m/z int. rel.int.
+  56.0494 388769.1 29
+  67.0541 144638 10
+  69.0698 1245479.2 92
+  72.0808 199016.9 14
+  84.0443 2055021 153
+  91.0539 197015.8 14
+  94.065 331143.6 24
+  96.0077 143101.7 10
+  98.096 142570.1 10
+  110.06 433595.5 32
+  111.9851 308657.6 23
+  122.0598 281811.2 21
+  125.0418 636858.4 47
+  137.0294 148132.3 11
+  152.0525 709136.8 52
+  167.081 414655.8 30
+  179.0637 217825.5 16
+  180.0473 1194911 89
+  198.0577 13381850 999
+  223.0893 138172.1 10
+//
diff --git a/Eawag/MSBNK-EAWAG-ED146909.txt b/Eawag/MSBNK-EAWAG-ED146909.txt
new file mode 100644
index 0000000000..a24366bccd
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED146909.txt
@@ -0,0 +1,82 @@
+ACCESSION: MSBNK-EAWAG-ED146909
+RECORD_TITLE: Aerucyclamide C; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2a
+COMMENT: CyanoMetDB_ID 1469
+CH$NAME: Aerucyclamide C
+CH$NAME: (4S,7R,8S,11S,18R)-18-[(2S)-butan-2-yl]-4,7-dimethyl-11-propan-2-yl-6,13-dioxa-20-thia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.15,8.112,15]tetracosa-1(21),5(24),12(23),14,19(22)-pentaene-2,9,16-trione
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C24H32N6O5S
+CH$EXACT_MASS: 516.2154891
+CH$SMILES: CC[C@H](C)[C@@H]1C2=NC(=CS2)C(=O)N[C@H](C3=N[C@@H]([C@H](O3)C)C(=O)N[C@H](C4=NC(=CO4)C(=O)N1)C(C)C)C
+CH$IUPAC: InChI=1S/C24H32N6O5S/c1-7-11(4)17-24-27-15(9-36-24)20(32)25-12(5)22-30-18(13(6)35-22)21(33)28-16(10(2)3)23-26-14(8-34-23)19(31)29-17/h8-13,16-18H,7H2,1-6H3,(H,25,32)(H,28,33)(H,29,31)/t11-,12-,13+,16-,17+,18-/m0/s1
+CH$LINK: PUBCHEM CID:25156431
+CH$LINK: INCHIKEY MQIAICAGVFTAAN-ZIYJYRAWSA-N
+CH$LINK: CHEMSPIDER 24636795
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 54-549
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 11.170 min
+MS$FOCUSED_ION: BASE_PEAK 517.2223
+MS$FOCUSED_ION: PRECURSOR_M/Z 517.2228
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0159-9500000000-3c0baabe59178e2ac0d8
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  56.0494 C3H6N+ 1 56.0495 -0.64
+  67.0543 C5H7+ 1 67.0542 0.42
+  69.0698 C5H9+ 1 69.0699 -1.22
+  72.0805 C4H10N+ 1 72.0808 -4.3
+  82.0651 C5H8N+ 1 82.0651 -0.65
+  84.0443 C4H6NO+ 1 84.0444 -1.14
+  91.0541 C7H7+ 1 91.0542 -1.02
+  94.065 C6H8N+ 1 94.0651 -1.77
+  96.008 C4H2NO2+ 1 96.008 0.09
+  98.0962 C6H12N+ 1 98.0964 -2.23
+  110.0597 C6H8NO+ 1 110.06 -3.04
+  111.9851 C4H2NOS+ 1 111.9852 -0.81
+  122.0597 C7H8NO+ 1 122.06 -2.95
+  125.0417 C7H9S+ 1 125.0419 -1.59
+  137.0292 C7H7NS+ 1 137.0294 -1.02
+  152.0526 C8H10NS+ 1 152.0528 -1.38
+  167.0811 H15N4O4S+ 2 167.0809 1.76
+  179.0631 C9H11N2S+ 1 179.0637 -3.74
+  180.0472 C9H10NOS+ 2 180.0478 -3.11
+  212.0729 C10H14NO2S+ 2 212.074 -4.87
+PK$NUM_PEAK: 20
+PK$PEAK: m/z int. rel.int.
+  56.0494 409513.1 174
+  67.0543 287588.8 122
+  69.0698 2338895.2 999
+  72.0805 227977.6 97
+  82.0651 105873.7 45
+  84.0443 1639054.2 700
+  91.0541 444046.5 189
+  94.065 596170.7 254
+  96.008 276216.3 117
+  98.0962 112811.9 48
+  110.0597 364376.5 155
+  111.9851 304246.3 129
+  122.0597 436691.9 186
+  125.0417 973196.9 415
+  137.0292 312422.7 133
+  152.0526 850509.6 363
+  167.0811 141368.2 60
+  179.0631 196826.4 84
+  180.0472 383921.6 163
+  212.0729 190279.1 81
+//
diff --git a/Eawag/MSBNK-EAWAG-ED147151.txt b/Eawag/MSBNK-EAWAG-ED147151.txt
new file mode 100644
index 0000000000..89dc1acb3e
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED147151.txt
@@ -0,0 +1,47 @@
+ACCESSION: MSBNK-EAWAG-ED147151
+RECORD_TITLE: Microcyclamide 7806A (and isomers); LC-ESI-QFT; MS2; CE: 15%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.05.01
+AUTHORS: E. Janssen [dtc], V. Rouge [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 1471
+CH$NAME: Microcyclamide 7806A (and isomers)
+CH$NAME: 15-amino-4-butan-2-yl-11,14-dimethyl-18-propan-2-yl-13,20-dioxa-6-thia-3,10,17,22,23-pentazatricyclo[17.2.1.15,8]tricosa-1(21),5(23),7,19(22)-tetraene-2,9,12,16-tetrone
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C24H34N6O6S
+CH$EXACT_MASS: 534.2260538
+CH$SMILES: CC(CC)C1NC(=O)c2nc(oc2)C(NC(=O)C(N)C(C)OC(=O)C(C)NC(=O)c2nc1sc2)C(C)C
+CH$IUPAC: InChI=1S/C24H34N6O6S/c1-7-11(4)18-23-28-15(9-37-23)20(32)26-12(5)24(34)36-13(6)16(25)21(33)29-17(10(2)3)22-27-14(8-35-22)19(31)30-18/h8-13,16-18H,7,25H2,1-6H3,(H,26,32)(H,29,33)(H,30,31)
+CH$LINK: PUBCHEM CID:153274347
+CH$LINK: INCHIKEY KMUPVKAZDBVWBO-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 56-565
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.973 min
+MS$FOCUSED_ION: BASE_PEAK 533.2187
+MS$FOCUSED_ION: PRECURSOR_M/Z 533.2188
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0019-0000960000-f111173238e091322209
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  309.1017 C19H11N5- 3 309.102 -1.06
+  489.1922 C22H29N6O5S- 2 489.1926 -0.73
+  533.2186 C24H33N6O6S- 1 533.2188 -0.28
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  309.1017 171007.8 40
+  489.1922 4266935 999
+  533.2186 2895669.8 677
+//
diff --git a/Eawag/MSBNK-EAWAG-ED147152.txt b/Eawag/MSBNK-EAWAG-ED147152.txt
new file mode 100644
index 0000000000..1748b46b7e
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED147152.txt
@@ -0,0 +1,53 @@
+ACCESSION: MSBNK-EAWAG-ED147152
+RECORD_TITLE: Microcyclamide 7806A (and isomers); LC-ESI-QFT; MS2; CE: 20%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.05.01
+AUTHORS: E. Janssen [dtc], V. Rouge [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 1471
+CH$NAME: Microcyclamide 7806A (and isomers)
+CH$NAME: 15-amino-4-butan-2-yl-11,14-dimethyl-18-propan-2-yl-13,20-dioxa-6-thia-3,10,17,22,23-pentazatricyclo[17.2.1.15,8]tricosa-1(21),5(23),7,19(22)-tetraene-2,9,12,16-tetrone
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C24H34N6O6S
+CH$EXACT_MASS: 534.2260538
+CH$SMILES: CC(CC)C1NC(=O)c2nc(oc2)C(NC(=O)C(N)C(C)OC(=O)C(C)NC(=O)c2nc1sc2)C(C)C
+CH$IUPAC: InChI=1S/C24H34N6O6S/c1-7-11(4)18-23-28-15(9-37-23)20(32)26-12(5)24(34)36-13(6)16(25)21(33)29-17(10(2)3)22-27-14(8-35-22)19(31)30-18/h8-13,16-18H,7,25H2,1-6H3,(H,26,32)(H,29,33)(H,30,31)
+CH$LINK: PUBCHEM CID:153274347
+CH$LINK: INCHIKEY KMUPVKAZDBVWBO-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 56-565
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.973 min
+MS$FOCUSED_ION: BASE_PEAK 533.2187
+MS$FOCUSED_ION: PRECURSOR_M/Z 533.2188
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-000i-0001900000-61b98410a5451185398b
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  309.1021 C19H11N5- 4 309.102 0.23
+  420.1691 C19H26N5O4S- 3 420.1711 -4.73
+  446.1856 C21H28N5O4S- 2 446.1867 -2.6
+  461.1979 C21H29N6O4S- 2 461.1976 0.59
+  489.1921 C22H29N6O5S- 2 489.1926 -0.85
+  533.2187 C24H33N6O6S- 1 533.2188 -0.17
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  309.1021 983543.6 187
+  420.1691 82494.4 15
+  446.1856 56484.5 10
+  461.1979 78880.7 15
+  489.1921 5241213 999
+  533.2187 472043.3 89
+//
diff --git a/Eawag/MSBNK-EAWAG-ED147153.txt b/Eawag/MSBNK-EAWAG-ED147153.txt
new file mode 100644
index 0000000000..9ab3b30776
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED147153.txt
@@ -0,0 +1,61 @@
+ACCESSION: MSBNK-EAWAG-ED147153
+RECORD_TITLE: Microcyclamide 7806A (and isomers); LC-ESI-QFT; MS2; CE: 25%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.05.01
+AUTHORS: E. Janssen [dtc], V. Rouge [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 1471
+CH$NAME: Microcyclamide 7806A (and isomers)
+CH$NAME: 15-amino-4-butan-2-yl-11,14-dimethyl-18-propan-2-yl-13,20-dioxa-6-thia-3,10,17,22,23-pentazatricyclo[17.2.1.15,8]tricosa-1(21),5(23),7,19(22)-tetraene-2,9,12,16-tetrone
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C24H34N6O6S
+CH$EXACT_MASS: 534.2260538
+CH$SMILES: CC(CC)C1NC(=O)c2nc(oc2)C(NC(=O)C(N)C(C)OC(=O)C(C)NC(=O)c2nc1sc2)C(C)C
+CH$IUPAC: InChI=1S/C24H34N6O6S/c1-7-11(4)18-23-28-15(9-37-23)20(32)26-12(5)24(34)36-13(6)16(25)21(33)29-17(10(2)3)22-27-14(8-35-22)19(31)30-18/h8-13,16-18H,7,25H2,1-6H3,(H,26,32)(H,29,33)(H,30,31)
+CH$LINK: PUBCHEM CID:153274347
+CH$LINK: INCHIKEY KMUPVKAZDBVWBO-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 56-565
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.973 min
+MS$FOCUSED_ION: BASE_PEAK 533.2187
+MS$FOCUSED_ION: PRECURSOR_M/Z 533.2188
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-000i-0003900000-09b08fc3e59c3ccb82aa
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  68.0142 C3H2NO- 1 68.0142 -0.12
+  113.0356 C4H5N2O2- 1 113.0357 -0.24
+  179.082 CH15N4O4S- 3 179.0819 0.1
+  309.1021 C19H11N5- 4 309.102 0.33
+  366.1234 C21H14N6O- 4 366.1235 -0.17
+  378.161 C23H18N6- 3 378.1598 3.16
+  420.1705 C19H26N5O4S- 3 420.1711 -1.39
+  446.1861 C21H28N5O4S- 2 446.1867 -1.51
+  461.1962 C21H29N6O4S- 2 461.1976 -3.18
+  489.1923 C22H29N6O5S- 2 489.1926 -0.6
+PK$NUM_PEAK: 10
+PK$PEAK: m/z int. rel.int.
+  68.0142 289039.9 92
+  113.0356 34963.4 11
+  179.082 114898.9 36
+  309.1021 1392388.8 447
+  366.1234 54717.9 17
+  378.161 41691.3 13
+  420.1705 323028.5 103
+  446.1861 68766.6 22
+  461.1962 74220.9 23
+  489.1923 3110234.2 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED147154.txt b/Eawag/MSBNK-EAWAG-ED147154.txt
new file mode 100644
index 0000000000..9b686cc3e9
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED147154.txt
@@ -0,0 +1,83 @@
+ACCESSION: MSBNK-EAWAG-ED147154
+RECORD_TITLE: Microcyclamide 7806A (and isomers); LC-ESI-QFT; MS2; CE: 30%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.05.01
+AUTHORS: E. Janssen [dtc], V. Rouge [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 1471
+CH$NAME: Microcyclamide 7806A (and isomers)
+CH$NAME: 15-amino-4-butan-2-yl-11,14-dimethyl-18-propan-2-yl-13,20-dioxa-6-thia-3,10,17,22,23-pentazatricyclo[17.2.1.15,8]tricosa-1(21),5(23),7,19(22)-tetraene-2,9,12,16-tetrone
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C24H34N6O6S
+CH$EXACT_MASS: 534.2260538
+CH$SMILES: CC(CC)C1NC(=O)c2nc(oc2)C(NC(=O)C(N)C(C)OC(=O)C(C)NC(=O)c2nc1sc2)C(C)C
+CH$IUPAC: InChI=1S/C24H34N6O6S/c1-7-11(4)18-23-28-15(9-37-23)20(32)26-12(5)24(34)36-13(6)16(25)21(33)29-17(10(2)3)22-27-14(8-35-22)19(31)30-18/h8-13,16-18H,7,25H2,1-6H3,(H,26,32)(H,29,33)(H,30,31)
+CH$LINK: PUBCHEM CID:153274347
+CH$LINK: INCHIKEY KMUPVKAZDBVWBO-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 56-565
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.973 min
+MS$FOCUSED_ION: BASE_PEAK 533.2187
+MS$FOCUSED_ION: PRECURSOR_M/Z 533.2188
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-05n0-3206900000-ebee0d792f832c974b12
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  68.0142 C3H2NO- 1 68.0142 -0.34
+  110.012 C4H2N2O2- 1 110.0122 -1.22
+  113.0354 C4H5N2O2- 1 113.0357 -1.93
+  126.9969 C4H3N2OS- 1 126.9972 -1.87
+  151.087 H15N4O3S- 3 151.087 -0.01
+  169.0433 C7H9N2OS- 2 169.0441 -4.97
+  179.0818 CH15N4O4S- 3 179.0819 -0.92
+  198.0334 C5H6N6OS- 2 198.0329 2.41
+  223.0901 C9H13N5S- 2 223.0897 1.82
+  232.1082 C10H12N6O- 3 232.1078 1.74
+  264.0816 C12H14N3O2S- 4 264.0812 1.32
+  266.0956 C12H16N3O2S- 3 266.0969 -4.66
+  309.1021 C19H11N5- 4 309.102 0.23
+  323.1175 C20H13N5- 4 323.1176 -0.41
+  366.1233 C21H14N6O- 4 366.1235 -0.42
+  378.1588 C23H18N6- 5 378.1598 -2.89
+  418.1898 C17H30N4O6S- 3 418.1892 1.53
+  420.1703 C19H26N5O4S- 2 420.1711 -1.83
+  432.1194 C21H16N6O5- 2 432.1188 1.48
+  462.1799 C24H24N5O5- 2 462.1783 3.39
+  489.1921 C22H29N6O5S- 2 489.1926 -1.04
+PK$NUM_PEAK: 21
+PK$PEAK: m/z int. rel.int.
+  68.0142 768645.6 534
+  110.012 37395.5 26
+  113.0354 143589.2 99
+  126.9969 20471.4 14
+  151.087 26550.2 18
+  169.0433 76420.7 53
+  179.0818 174409.4 121
+  198.0334 79345.1 55
+  223.0901 61434.6 42
+  232.1082 20094.5 13
+  264.0816 46995.7 32
+  266.0956 68866.9 47
+  309.1021 1380357.2 959
+  323.1175 27202.4 18
+  366.1233 82966.7 57
+  378.1588 42062.3 29
+  418.1898 26281.1 18
+  420.1703 572793.6 398
+  432.1194 15852.7 11
+  462.1799 29193.4 20
+  489.1921 1436435.2 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED147155.txt b/Eawag/MSBNK-EAWAG-ED147155.txt
new file mode 100644
index 0000000000..be2d744d6f
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED147155.txt
@@ -0,0 +1,87 @@
+ACCESSION: MSBNK-EAWAG-ED147155
+RECORD_TITLE: Microcyclamide 7806A (and isomers); LC-ESI-QFT; MS2; CE: 35%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.05.01
+AUTHORS: E. Janssen [dtc], V. Rouge [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 1471
+CH$NAME: Microcyclamide 7806A (and isomers)
+CH$NAME: 15-amino-4-butan-2-yl-11,14-dimethyl-18-propan-2-yl-13,20-dioxa-6-thia-3,10,17,22,23-pentazatricyclo[17.2.1.15,8]tricosa-1(21),5(23),7,19(22)-tetraene-2,9,12,16-tetrone
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C24H34N6O6S
+CH$EXACT_MASS: 534.2260538
+CH$SMILES: CC(CC)C1NC(=O)c2nc(oc2)C(NC(=O)C(N)C(C)OC(=O)C(C)NC(=O)c2nc1sc2)C(C)C
+CH$IUPAC: InChI=1S/C24H34N6O6S/c1-7-11(4)18-23-28-15(9-37-23)20(32)26-12(5)24(34)36-13(6)16(25)21(33)29-17(10(2)3)22-27-14(8-35-22)19(31)30-18/h8-13,16-18H,7,25H2,1-6H3,(H,26,32)(H,29,33)(H,30,31)
+CH$LINK: PUBCHEM CID:153274347
+CH$LINK: INCHIKEY KMUPVKAZDBVWBO-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 35 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 56-565
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.973 min
+MS$FOCUSED_ION: BASE_PEAK 533.2187
+MS$FOCUSED_ION: PRECURSOR_M/Z 533.2188
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-06di-9635600000-b13306e285e92de2e789
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  65.9985 C3NO- 1 65.9985 -0.33
+  68.0142 C3H2NO- 1 68.0142 -0.12
+  82.0174 C3H2N2O- 1 82.0173 1.08
+  83.9912 C3H2NS- 1 83.9913 -1.37
+  110.0124 C4H2N2O2- 1 110.0122 1.97
+  113.0355 C4H5N2O2- 1 113.0357 -0.91
+  126.9969 C4H3N2OS- 1 126.9972 -1.81
+  127.0513 C5H7N2O2- 1 127.0513 -0.35
+  169.0436 C7H9N2OS- 1 169.0441 -2.9
+  170.0558 C4H6N6O2- 1 170.0558 0.34
+  171.0595 C7H11N2OS- 1 171.0598 -1.52
+  179.0819 CH15N4O4S- 3 179.0819 -0.24
+  181.0072 C7H5N2O2S- 2 181.0077 -2.84
+  198.0334 C5H6N6OS- 2 198.0329 2.41
+  223.0897 C9H13N5S- 1 223.0897 0.11
+  224.1029 C8H12N6O2- 2 224.1027 0.95
+  264.0805 C10H12N6OS- 3 264.0799 2.36
+  266.0964 C12H16N3O2S- 3 266.0969 -1.91
+  292.076 C19H8N4- 4 292.0754 1.94
+  309.102 C19H11N5- 4 309.102 0.03
+  378.1592 C23H18N6- 4 378.1598 -1.6
+  420.1701 C19H26N5O4S- 2 420.1711 -2.41
+  489.192 C22H29N6O5S- 2 489.1926 -1.16
+PK$NUM_PEAK: 23
+PK$PEAK: m/z int. rel.int.
+  65.9985 45249.2 39
+  68.0142 1137948.1 999
+  82.0174 18063.1 15
+  83.9912 19225.4 16
+  110.0124 65524.4 57
+  113.0355 333681.9 292
+  126.9969 19151.8 16
+  127.0513 15344.1 13
+  169.0436 111587.1 97
+  170.0558 24881.2 21
+  171.0595 22344.2 19
+  179.0819 185726.2 163
+  181.0072 15533.2 13
+  198.0334 137177.4 120
+  223.0897 101563.3 89
+  224.1029 191697.9 168
+  264.0805 50095.5 43
+  266.0964 78597.9 69
+  292.076 32171.4 28
+  309.102 776593.4 681
+  378.1592 25509.8 22
+  420.1701 432033.8 379
+  489.192 402667.8 353
+//
diff --git a/Eawag/MSBNK-EAWAG-ED147156.txt b/Eawag/MSBNK-EAWAG-ED147156.txt
new file mode 100644
index 0000000000..f06bd81c05
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED147156.txt
@@ -0,0 +1,95 @@
+ACCESSION: MSBNK-EAWAG-ED147156
+RECORD_TITLE: Microcyclamide 7806A (and isomers); LC-ESI-QFT; MS2; CE: 40%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.05.01
+AUTHORS: E. Janssen [dtc], V. Rouge [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 1471
+CH$NAME: Microcyclamide 7806A (and isomers)
+CH$NAME: 15-amino-4-butan-2-yl-11,14-dimethyl-18-propan-2-yl-13,20-dioxa-6-thia-3,10,17,22,23-pentazatricyclo[17.2.1.15,8]tricosa-1(21),5(23),7,19(22)-tetraene-2,9,12,16-tetrone
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C24H34N6O6S
+CH$EXACT_MASS: 534.2260538
+CH$SMILES: CC(CC)C1NC(=O)c2nc(oc2)C(NC(=O)C(N)C(C)OC(=O)C(C)NC(=O)c2nc1sc2)C(C)C
+CH$IUPAC: InChI=1S/C24H34N6O6S/c1-7-11(4)18-23-28-15(9-37-23)20(32)26-12(5)24(34)36-13(6)16(25)21(33)29-17(10(2)3)22-27-14(8-35-22)19(31)30-18/h8-13,16-18H,7,25H2,1-6H3,(H,26,32)(H,29,33)(H,30,31)
+CH$LINK: PUBCHEM CID:153274347
+CH$LINK: INCHIKEY KMUPVKAZDBVWBO-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 56-565
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.973 min
+MS$FOCUSED_ION: BASE_PEAK 533.2187
+MS$FOCUSED_ION: PRECURSOR_M/Z 533.2188
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-014i-9722100000-d748e10b3af120218dca
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  65.9986 C3NO- 1 65.9985 0.6
+  68.0142 C3H2NO- 1 68.0142 -0.12
+  82.0173 C3H2N2O- 1 82.0173 0.52
+  82.0299 C4H4NO- 1 82.0298 0.77
+  83.9915 C3H2NS- 1 83.9913 1.62
+  95.0014 C4HNO2- 1 95.0013 1.76
+  109.0408 C5H5N2O- 1 109.0407 0.46
+  110.0119 C4H2N2O2- 1 110.0122 -2.81
+  113.0355 C4H5N2O2- 1 113.0357 -0.91
+  126.9969 C4H3N2OS- 1 126.9972 -1.87
+  127.051 C5H7N2O2- 1 127.0513 -2.03
+  127.0876 C6H11N2O- 1 127.0877 -0.9
+  139.0511 C6H7N2O2- 1 139.0513 -1.17
+  139.0878 C7H11N2O- 2 139.0877 1.07
+  169.0434 C7H9N2OS- 2 169.0441 -4.43
+  170.0564 C4H6N6O2- 2 170.0558 3.75
+  171.0597 C7H11N2OS- 1 171.0598 -0.45
+  179.0819 CH15N4O4S- 3 179.0819 -0.15
+  181.0073 C7H5N2O2S- 2 181.0077 -2.5
+  195.0593 C9H11N2OS- 2 195.0598 -2.49
+  198.0334 C5H6N6OS- 2 198.0329 2.56
+  223.0897 C9H13N5S- 1 223.0897 -0.17
+  224.103 C8H12N6O2- 3 224.1027 1.35
+  266.0969 C12H16N3O2S- 3 266.0969 0.04
+  309.102 C19H11N5- 4 309.102 -0.07
+  420.1712 C19H26N5O4S- 2 420.1711 0.35
+  489.1923 C22H29N6O5S- 2 489.1926 -0.48
+PK$NUM_PEAK: 27
+PK$PEAK: m/z int. rel.int.
+  65.9986 71326.8 61
+  68.0142 1152966.8 999
+  82.0173 19768.4 17
+  82.0299 19936.5 17
+  83.9915 37923.3 32
+  95.0014 49910.3 43
+  109.0408 14423.1 12
+  110.0119 67462.7 58
+  113.0355 457787 396
+  126.9969 45079.6 39
+  127.051 31655.3 27
+  127.0876 38090.5 33
+  139.0511 23672.8 20
+  139.0878 14982.2 12
+  169.0434 89401 77
+  170.0564 34056.7 29
+  171.0597 20418.8 17
+  179.0819 116634 101
+  181.0073 18194.5 15
+  195.0593 29715.8 25
+  198.0334 141930.2 122
+  223.0897 110211.6 95
+  224.103 221340.2 191
+  266.0969 60032 52
+  309.102 327460 283
+  420.1712 188294.9 163
+  489.1923 78538.2 68
+//
diff --git a/Eawag/MSBNK-EAWAG-ED147157.txt b/Eawag/MSBNK-EAWAG-ED147157.txt
new file mode 100644
index 0000000000..5c21b5175c
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED147157.txt
@@ -0,0 +1,85 @@
+ACCESSION: MSBNK-EAWAG-ED147157
+RECORD_TITLE: Microcyclamide 7806A (and isomers); LC-ESI-QFT; MS2; CE: 50%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.05.01
+AUTHORS: E. Janssen [dtc], V. Rouge [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 1471
+CH$NAME: Microcyclamide 7806A (and isomers)
+CH$NAME: 15-amino-4-butan-2-yl-11,14-dimethyl-18-propan-2-yl-13,20-dioxa-6-thia-3,10,17,22,23-pentazatricyclo[17.2.1.15,8]tricosa-1(21),5(23),7,19(22)-tetraene-2,9,12,16-tetrone
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C24H34N6O6S
+CH$EXACT_MASS: 534.2260538
+CH$SMILES: CC(CC)C1NC(=O)c2nc(oc2)C(NC(=O)C(N)C(C)OC(=O)C(C)NC(=O)c2nc1sc2)C(C)C
+CH$IUPAC: InChI=1S/C24H34N6O6S/c1-7-11(4)18-23-28-15(9-37-23)20(32)26-12(5)24(34)36-13(6)16(25)21(33)29-17(10(2)3)22-27-14(8-35-22)19(31)30-18/h8-13,16-18H,7,25H2,1-6H3,(H,26,32)(H,29,33)(H,30,31)
+CH$LINK: PUBCHEM CID:153274347
+CH$LINK: INCHIKEY KMUPVKAZDBVWBO-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 56-565
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.973 min
+MS$FOCUSED_ION: BASE_PEAK 533.2187
+MS$FOCUSED_ION: PRECURSOR_M/Z 533.2188
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-014i-9500000000-9c021240f0587da52865
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  57.9757 CNS- 1 57.9757 0.35
+  65.9985 C3NO- 1 65.9985 -0.21
+  67.0064 C3HNO- 1 67.0064 0.52
+  68.0142 C3H2NO- 1 68.0142 -0.12
+  82.0174 C3H2N2O- 1 82.0173 1.27
+  82.0298 C4H4NO- 1 82.0298 -0.72
+  83.9912 C3H2NS- 1 83.9913 -1.74
+  85.0406 C3H5N2O- 1 85.0407 -1.26
+  95.0013 C4HNO2- 1 95.0013 0.23
+  109.0408 C5H5N2O- 1 109.0407 0.95
+  110.0121 C4H2N2O2- 1 110.0122 -0.39
+  113.0355 C4H5N2O2- 1 113.0357 -1.25
+  125.072 C6H9N2O- 1 125.072 -0.59
+  126.9969 C4H3N2OS- 1 126.9972 -1.99
+  127.0512 C5H7N2O2- 1 127.0513 -0.47
+  127.0874 C6H11N2O- 1 127.0877 -1.92
+  137.0716 C7H9N2O- 1 137.072 -3.29
+  153.0667 C7H9N2O2- 1 153.067 -1.58
+  169.0437 C7H9N2OS- 1 169.0441 -2.18
+  195.0595 C9H11N2OS- 1 195.0598 -1.32
+  207.0105 C6H3N6OS- 3 207.0095 4.86
+  223.09 C9H13N5S- 2 223.0897 1.2
+PK$NUM_PEAK: 22
+PK$PEAK: m/z int. rel.int.
+  57.9757 15537.6 15
+  65.9985 149164.8 146
+  67.0064 13445.1 13
+  68.0142 1016758.7 999
+  82.0174 20639.5 20
+  82.0298 31897.2 31
+  83.9912 92031.6 90
+  85.0406 14629 14
+  95.0013 107407.6 105
+  109.0408 28679.4 28
+  110.0121 60656 59
+  113.0355 476096.8 467
+  125.072 20680.8 20
+  126.9969 51611.1 50
+  127.0512 66865.9 65
+  127.0874 53129.4 52
+  137.0716 14983.3 14
+  153.0667 22346.3 21
+  169.0437 28661.2 28
+  195.0595 22705.5 22
+  207.0105 17378.9 17
+  223.09 59184.3 58
+//
diff --git a/Eawag/MSBNK-EAWAG-ED147158.txt b/Eawag/MSBNK-EAWAG-ED147158.txt
new file mode 100644
index 0000000000..f3f116fa87
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED147158.txt
@@ -0,0 +1,77 @@
+ACCESSION: MSBNK-EAWAG-ED147158
+RECORD_TITLE: Microcyclamide 7806A (and isomers); LC-ESI-QFT; MS2; CE: 60%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.05.01
+AUTHORS: E. Janssen [dtc], V. Rouge [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 1471
+CH$NAME: Microcyclamide 7806A (and isomers)
+CH$NAME: 15-amino-4-butan-2-yl-11,14-dimethyl-18-propan-2-yl-13,20-dioxa-6-thia-3,10,17,22,23-pentazatricyclo[17.2.1.15,8]tricosa-1(21),5(23),7,19(22)-tetraene-2,9,12,16-tetrone
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C24H34N6O6S
+CH$EXACT_MASS: 534.2260538
+CH$SMILES: CC(CC)C1NC(=O)c2nc(oc2)C(NC(=O)C(N)C(C)OC(=O)C(C)NC(=O)c2nc1sc2)C(C)C
+CH$IUPAC: InChI=1S/C24H34N6O6S/c1-7-11(4)18-23-28-15(9-37-23)20(32)26-12(5)24(34)36-13(6)16(25)21(33)29-17(10(2)3)22-27-14(8-35-22)19(31)30-18/h8-13,16-18H,7,25H2,1-6H3,(H,26,32)(H,29,33)(H,30,31)
+CH$LINK: PUBCHEM CID:153274347
+CH$LINK: INCHIKEY KMUPVKAZDBVWBO-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 56-565
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.973 min
+MS$FOCUSED_ION: BASE_PEAK 533.2187
+MS$FOCUSED_ION: PRECURSOR_M/Z 533.2188
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-014i-9300000000-6fa1ed2d4460a276ccda
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  57.9756 CNS- 1 57.9757 -1.36
+  65.9985 C3NO- 1 65.9985 -0.09
+  67.0064 C3HNO- 1 67.0064 0.52
+  68.0142 C3H2NO- 1 68.0142 -0.23
+  82.0298 C4H4NO- 1 82.0298 -0.63
+  83.9913 C3H2NS- 1 83.9913 -0.38
+  95.0011 C4HNO2- 1 95.0013 -1.46
+  109.0407 C5H5N2O- 1 109.0407 -0.03
+  110.0121 C4H2N2O2- 1 110.0122 -0.94
+  113.0355 C4H5N2O2- 1 113.0357 -1.32
+  125.0718 C6H9N2O- 1 125.072 -2.18
+  126.9968 C4H3N2OS- 1 126.9972 -2.65
+  127.051 C5H7N2O2- 1 127.0513 -2.09
+  127.0875 C6H11N2O- 1 127.0877 -1.68
+  137.0718 C7H9N2O- 1 137.072 -1.39
+  153.0128 C6H5N2OS- 1 153.0128 0.15
+  179.0829 C9H11N2O2- 2 179.0826 1.58
+  223.0907 C9H13N5S- 2 223.0897 4.55
+PK$NUM_PEAK: 18
+PK$PEAK: m/z int. rel.int.
+  57.9756 17401.6 18
+  65.9985 255631.3 265
+  67.0064 33761 35
+  68.0142 963635 999
+  82.0298 31465.3 32
+  83.9913 148038.8 153
+  95.0011 102521.7 106
+  109.0407 31790.5 32
+  110.0121 37817.8 39
+  113.0355 303537.8 314
+  125.0718 25279.6 26
+  126.9968 39213.8 40
+  127.051 74301.5 77
+  127.0875 67888.4 70
+  137.0718 15701.5 16
+  153.0128 13861 14
+  179.0829 19876.1 20
+  223.0907 17214 17
+//
diff --git a/Eawag/MSBNK-EAWAG-ED147159.txt b/Eawag/MSBNK-EAWAG-ED147159.txt
new file mode 100644
index 0000000000..6388fc0a76
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED147159.txt
@@ -0,0 +1,71 @@
+ACCESSION: MSBNK-EAWAG-ED147159
+RECORD_TITLE: Microcyclamide 7806A (and isomers); LC-ESI-QFT; MS2; CE: 70%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.05.01
+AUTHORS: E. Janssen [dtc], V. Rouge [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 2b
+COMMENT: CyanoMetDB_ID 1471
+CH$NAME: Microcyclamide 7806A (and isomers)
+CH$NAME: 15-amino-4-butan-2-yl-11,14-dimethyl-18-propan-2-yl-13,20-dioxa-6-thia-3,10,17,22,23-pentazatricyclo[17.2.1.15,8]tricosa-1(21),5(23),7,19(22)-tetraene-2,9,12,16-tetrone
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C24H34N6O6S
+CH$EXACT_MASS: 534.2260538
+CH$SMILES: CC(CC)C1NC(=O)c2nc(oc2)C(NC(=O)C(N)C(C)OC(=O)C(C)NC(=O)c2nc1sc2)C(C)C
+CH$IUPAC: InChI=1S/C24H34N6O6S/c1-7-11(4)18-23-28-15(9-37-23)20(32)26-12(5)24(34)36-13(6)16(25)21(33)29-17(10(2)3)22-27-14(8-35-22)19(31)30-18/h8-13,16-18H,7,25H2,1-6H3,(H,26,32)(H,29,33)(H,30,31)
+CH$LINK: PUBCHEM CID:153274347
+CH$LINK: INCHIKEY KMUPVKAZDBVWBO-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 56-565
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.973 min
+MS$FOCUSED_ION: BASE_PEAK 533.2187
+MS$FOCUSED_ION: PRECURSOR_M/Z 533.2188
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-014i-9200000000-9d3241ce43ed0170eb2f
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  57.9758 CNS- 1 57.9757 1.41
+  65.9986 C3NO- 1 65.9985 0.37
+  67.0064 C3HNO- 1 67.0064 1.09
+  68.0142 C3H2NO- 1 68.0142 0.11
+  82.0299 C4H4NO- 1 82.0298 1.33
+  83.9913 C3H2NS- 1 83.9913 -0.74
+  95.0013 C4HNO2- 1 95.0013 -0.01
+  108.0092 C5H2NO2- 1 108.0091 1.18
+  109.0408 C5H5N2O- 1 109.0407 0.18
+  110.0123 C4H2N2O2- 1 110.0122 1.49
+  113.0355 C4H5N2O2- 1 113.0357 -0.91
+  125.0721 C6H9N2O- 2 125.072 0.57
+  126.9973 C4H3N2OS- 1 126.9972 1.19
+  127.0513 C5H7N2O2- 1 127.0513 0.25
+  127.0877 C6H11N2O- 1 127.0877 0.3
+PK$NUM_PEAK: 15
+PK$PEAK: m/z int. rel.int.
+  57.9758 19807.6 24
+  65.9986 349926.8 431
+  67.0064 27494.8 33
+  68.0142 809612 999
+  82.0299 28042.8 34
+  83.9913 146387 180
+  95.0013 70507.9 87
+  108.0092 18930.9 23
+  109.0408 22877.8 28
+  110.0123 20143.2 24
+  113.0355 174583.4 215
+  125.0721 24780.3 30
+  126.9973 26952.3 33
+  127.0513 39619.6 48
+  127.0877 49194.2 60
+//
diff --git a/Eawag/MSBNK-EAWAG-ED148101.txt b/Eawag/MSBNK-EAWAG-ED148101.txt
new file mode 100644
index 0000000000..1ae69c6cb7
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED148101.txt
@@ -0,0 +1,49 @@
+ACCESSION: MSBNK-EAWAG-ED148101
+RECORD_TITLE: Hierridin B; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.6b00351
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1481
+CH$NAME: Hierridin B
+CH$NAME: 2,4-dimethoxy-6-pentadecylphenol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C23H40O3
+CH$EXACT_MASS: 364.2977451
+CH$SMILES: CCCCCCCCCCCCCCCC1=CC(=CC(=C1O)OC)OC
+CH$IUPAC: InChI=1S/C23H40O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-18-21(25-2)19-22(26-3)23(20)24/h18-19,24H,4-17H2,1-3H3
+CH$LINK: PUBCHEM CID:10021709
+CH$LINK: INCHIKEY VNEAIGHVYDWTTQ-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 8197282
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-394
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 17.693 min
+MS$FOCUSED_ION: BASE_PEAK 365.3037
+MS$FOCUSED_ION: PRECURSOR_M/Z 365.305
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-014i-0009000000-f5846573d041fa43a363
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  137.0595 C8H9O2+ 1 137.0597 -1.57
+  333.278 C22H37O2+ 1 333.2788 -2.39
+  365.3038 C23H41O3+ 1 365.305 -3.39
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  137.0595 31234552 96
+  333.278 11451712 35
+  365.3038 323496160 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED148102.txt b/Eawag/MSBNK-EAWAG-ED148102.txt
new file mode 100644
index 0000000000..0e974133a8
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED148102.txt
@@ -0,0 +1,51 @@
+ACCESSION: MSBNK-EAWAG-ED148102
+RECORD_TITLE: Hierridin B; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.6b00351
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1481
+CH$NAME: Hierridin B
+CH$NAME: 2,4-dimethoxy-6-pentadecylphenol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C23H40O3
+CH$EXACT_MASS: 364.2977451
+CH$SMILES: CCCCCCCCCCCCCCCC1=CC(=CC(=C1O)OC)OC
+CH$IUPAC: InChI=1S/C23H40O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-18-21(25-2)19-22(26-3)23(20)24/h18-19,24H,4-17H2,1-3H3
+CH$LINK: PUBCHEM CID:10021709
+CH$LINK: INCHIKEY VNEAIGHVYDWTTQ-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 8197282
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-394
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 17.693 min
+MS$FOCUSED_ION: BASE_PEAK 365.3037
+MS$FOCUSED_ION: PRECURSOR_M/Z 365.305
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-014r-0409000000-e61fd586751832319540
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  137.0595 C8H9O2+ 1 137.0597 -1.8
+  155.0698 C8H11O3+ 1 155.0703 -2.91
+  333.2778 C22H37O2+ 1 333.2788 -2.94
+  365.3038 C23H41O3+ 1 365.305 -3.39
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  137.0595 119169968 545
+  155.0698 5972503 27
+  333.2778 16042854 73
+  365.3038 218046288 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED148103.txt b/Eawag/MSBNK-EAWAG-ED148103.txt
new file mode 100644
index 0000000000..a173f31afb
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED148103.txt
@@ -0,0 +1,59 @@
+ACCESSION: MSBNK-EAWAG-ED148103
+RECORD_TITLE: Hierridin B; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.6b00351
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1481
+CH$NAME: Hierridin B
+CH$NAME: 2,4-dimethoxy-6-pentadecylphenol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C23H40O3
+CH$EXACT_MASS: 364.2977451
+CH$SMILES: CCCCCCCCCCCCCCCC1=CC(=CC(=C1O)OC)OC
+CH$IUPAC: InChI=1S/C23H40O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-18-21(25-2)19-22(26-3)23(20)24/h18-19,24H,4-17H2,1-3H3
+CH$LINK: PUBCHEM CID:10021709
+CH$LINK: INCHIKEY VNEAIGHVYDWTTQ-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 8197282
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-394
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 17.693 min
+MS$FOCUSED_ION: BASE_PEAK 365.3037
+MS$FOCUSED_ION: PRECURSOR_M/Z 365.305
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-000i-0904000000-13b391c7a6fcb90eae88
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  57.0699 C4H9+ 1 57.0699 -0.32
+  71.0855 C5H11+ 1 71.0855 0.25
+  137.0595 C8H9O2+ 1 137.0597 -1.69
+  140.0465 C7H8O3+ 1 140.0468 -2.45
+  151.0753 C9H11O2+ 1 151.0754 -0.19
+  155.07 C8H11O3+ 1 155.0703 -1.43
+  333.2778 C22H37O2+ 1 333.2788 -3.12
+  365.3035 C23H41O3+ 1 365.305 -4.06
+PK$NUM_PEAK: 8
+PK$PEAK: m/z int. rel.int.
+  57.0699 3309729.5 16
+  71.0855 2751549.8 13
+  137.0595 200471520 999
+  140.0465 2363405.5 11
+  151.0753 2026800.5 10
+  155.07 11119917 55
+  333.2778 10259582 51
+  365.3035 93670024 466
+//
diff --git a/Eawag/MSBNK-EAWAG-ED148104.txt b/Eawag/MSBNK-EAWAG-ED148104.txt
new file mode 100644
index 0000000000..b979bd0c3c
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED148104.txt
@@ -0,0 +1,61 @@
+ACCESSION: MSBNK-EAWAG-ED148104
+RECORD_TITLE: Hierridin B; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.6b00351
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1481
+CH$NAME: Hierridin B
+CH$NAME: 2,4-dimethoxy-6-pentadecylphenol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C23H40O3
+CH$EXACT_MASS: 364.2977451
+CH$SMILES: CCCCCCCCCCCCCCCC1=CC(=CC(=C1O)OC)OC
+CH$IUPAC: InChI=1S/C23H40O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-18-21(25-2)19-22(26-3)23(20)24/h18-19,24H,4-17H2,1-3H3
+CH$LINK: PUBCHEM CID:10021709
+CH$LINK: INCHIKEY VNEAIGHVYDWTTQ-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 8197282
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-394
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 17.693 min
+MS$FOCUSED_ION: BASE_PEAK 365.3037
+MS$FOCUSED_ION: PRECURSOR_M/Z 365.305
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-000i-0900000000-277765f8216fe42c933b
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  57.0699 C4H9+ 1 57.0699 -0.12
+  71.0857 C5H11+ 1 71.0855 1.97
+  85.1012 C6H13+ 1 85.1012 0.77
+  123.044 C7H7O2+ 1 123.0441 -0.62
+  137.0595 C8H9O2+ 1 137.0597 -1.24
+  140.0468 C7H8O3+ 1 140.0468 -0.05
+  155.07 C8H11O3+ 1 155.0703 -1.63
+  168.0774 C9H12O3+ 1 168.0781 -4.39
+  333.2792 C22H37O2+ 1 333.2788 1.09
+PK$NUM_PEAK: 9
+PK$PEAK: m/z int. rel.int.
+  57.0699 4911420.5 23
+  71.0857 4049931.2 19
+  85.1012 2598824.5 12
+  123.044 3917893.8 18
+  137.0595 206998288 999
+  140.0468 5839532.5 28
+  155.07 10396812 50
+  168.0774 4588303.5 22
+  333.2792 3328197.2 16
+//
diff --git a/Eawag/MSBNK-EAWAG-ED148105.txt b/Eawag/MSBNK-EAWAG-ED148105.txt
new file mode 100644
index 0000000000..8ee02e7fd1
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED148105.txt
@@ -0,0 +1,63 @@
+ACCESSION: MSBNK-EAWAG-ED148105
+RECORD_TITLE: Hierridin B; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.6b00351
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1481
+CH$NAME: Hierridin B
+CH$NAME: 2,4-dimethoxy-6-pentadecylphenol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C23H40O3
+CH$EXACT_MASS: 364.2977451
+CH$SMILES: CCCCCCCCCCCCCCCC1=CC(=CC(=C1O)OC)OC
+CH$IUPAC: InChI=1S/C23H40O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-18-21(25-2)19-22(26-3)23(20)24/h18-19,24H,4-17H2,1-3H3
+CH$LINK: PUBCHEM CID:10021709
+CH$LINK: INCHIKEY VNEAIGHVYDWTTQ-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 8197282
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-394
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 17.693 min
+MS$FOCUSED_ION: BASE_PEAK 365.3037
+MS$FOCUSED_ION: PRECURSOR_M/Z 365.305
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-000i-0900000000-6db7440a081058ad538e
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  57.0699 C4H9+ 1 57.0699 0.01
+  71.0855 C5H11+ 1 71.0855 -0.82
+  85.101 C6H13+ 1 85.1012 -2.64
+  109.0646 C7H9O+ 1 109.0648 -1.55
+  123.0438 C7H7O2+ 1 123.0441 -1.8
+  137.0596 C8H9O2+ 1 137.0597 -1.13
+  140.0466 C7H8O3+ 1 140.0468 -1.58
+  151.0754 C9H11O2+ 1 151.0754 0.52
+  155.0703 C8H11O3+ 1 155.0703 0.24
+  168.0778 C9H12O3+ 1 168.0781 -1.75
+PK$NUM_PEAK: 10
+PK$PEAK: m/z int. rel.int.
+  57.0699 11638562 50
+  71.0855 6102386 26
+  85.101 2830677.2 12
+  109.0646 3363872 14
+  123.0438 6660231 28
+  137.0596 229711296 999
+  140.0466 14328591 62
+  151.0754 2453438.5 10
+  155.0703 5500946.5 23
+  168.0778 7650458.5 33
+//
diff --git a/Eawag/MSBNK-EAWAG-ED148106.txt b/Eawag/MSBNK-EAWAG-ED148106.txt
new file mode 100644
index 0000000000..b55adc774e
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED148106.txt
@@ -0,0 +1,67 @@
+ACCESSION: MSBNK-EAWAG-ED148106
+RECORD_TITLE: Hierridin B; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.6b00351
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1481
+CH$NAME: Hierridin B
+CH$NAME: 2,4-dimethoxy-6-pentadecylphenol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C23H40O3
+CH$EXACT_MASS: 364.2977451
+CH$SMILES: CCCCCCCCCCCCCCCC1=CC(=CC(=C1O)OC)OC
+CH$IUPAC: InChI=1S/C23H40O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-18-21(25-2)19-22(26-3)23(20)24/h18-19,24H,4-17H2,1-3H3
+CH$LINK: PUBCHEM CID:10021709
+CH$LINK: INCHIKEY VNEAIGHVYDWTTQ-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 8197282
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-394
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 17.693 min
+MS$FOCUSED_ION: BASE_PEAK 365.3037
+MS$FOCUSED_ION: PRECURSOR_M/Z 365.305
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-000i-1900000000-80593ff49b48e85ac1db
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  55.0542 C4H7+ 1 55.0542 0.19
+  57.0699 C4H9+ 1 57.0699 0.41
+  69.0699 C5H9+ 1 69.0699 0.88
+  71.0856 C5H11+ 1 71.0855 0.89
+  81.07 C6H9+ 1 81.0699 1.41
+  105.0334 C7H5O+ 1 105.0335 -0.51
+  107.0488 C7H7O+ 1 107.0491 -2.85
+  109.0647 C7H9O+ 1 109.0648 -0.43
+  123.044 C7H7O2+ 1 123.0441 -0.19
+  137.0596 C8H9O2+ 1 137.0597 -0.79
+  140.0467 C7H8O3+ 1 140.0468 -0.81
+  168.0776 C9H12O3+ 1 168.0781 -2.75
+PK$NUM_PEAK: 12
+PK$PEAK: m/z int. rel.int.
+  55.0542 3944194 16
+  57.0699 16494489 68
+  69.0699 3111580.2 12
+  71.0856 6781096 28
+  81.07 4665460.5 19
+  105.0334 2797695 11
+  107.0488 2749563.5 11
+  109.0647 12852267 53
+  123.044 10735581 44
+  137.0596 240033328 999
+  140.0467 22764442 94
+  168.0776 4593965.5 19
+//
diff --git a/Eawag/MSBNK-EAWAG-ED148107.txt b/Eawag/MSBNK-EAWAG-ED148107.txt
new file mode 100644
index 0000000000..ebc973022b
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED148107.txt
@@ -0,0 +1,79 @@
+ACCESSION: MSBNK-EAWAG-ED148107
+RECORD_TITLE: Hierridin B; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.6b00351
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1481
+CH$NAME: Hierridin B
+CH$NAME: 2,4-dimethoxy-6-pentadecylphenol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C23H40O3
+CH$EXACT_MASS: 364.2977451
+CH$SMILES: CCCCCCCCCCCCCCCC1=CC(=CC(=C1O)OC)OC
+CH$IUPAC: InChI=1S/C23H40O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-18-21(25-2)19-22(26-3)23(20)24/h18-19,24H,4-17H2,1-3H3
+CH$LINK: PUBCHEM CID:10021709
+CH$LINK: INCHIKEY VNEAIGHVYDWTTQ-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 8197282
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-394
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 17.693 min
+MS$FOCUSED_ION: BASE_PEAK 365.3037
+MS$FOCUSED_ION: PRECURSOR_M/Z 365.305
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-000i-1900000000-fdd4a95d7610afd73205
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  55.0542 C4H7+ 1 55.0542 0.19
+  57.0699 C4H9+ 1 57.0699 -0.06
+  69.0699 C5H9+ 1 69.0699 0
+  71.0857 C5H11+ 1 71.0855 2.4
+  79.0542 C6H7+ 1 79.0542 -0.33
+  81.0698 C6H9+ 1 81.0699 -0.38
+  94.0412 C6H6O+ 1 94.0413 -1.63
+  95.0492 C6H7O+ 1 95.0491 0.26
+  105.0334 C7H5O+ 1 105.0335 -1.02
+  107.0491 C7H7O+ 1 107.0491 -0.07
+  109.0647 C7H9O+ 1 109.0648 -0.64
+  123.0438 C7H7O2+ 1 123.0441 -1.74
+  125.0594 C7H9O2+ 1 125.0597 -2.18
+  136.0517 C8H8O2+ 1 136.0519 -1.13
+  137.0595 C8H9O2+ 1 137.0597 -1.24
+  139.0751 C8H11O2+ 1 139.0754 -1.86
+  140.0466 C7H8O3+ 1 140.0468 -1.25
+  153.0542 C8H9O3+ 1 153.0546 -2.79
+PK$NUM_PEAK: 18
+PK$PEAK: m/z int. rel.int.
+  55.0542 3659824.5 23
+  57.0699 13997023 91
+  69.0699 2263834.8 14
+  71.0857 4167861.2 27
+  79.0542 8373359.5 54
+  81.0698 5969199 39
+  94.0412 1592914.4 10
+  95.0492 2564227.8 16
+  105.0334 7220753 47
+  107.0491 4817789.5 31
+  109.0647 24027862 157
+  123.0438 8385304.5 54
+  125.0594 2741993.8 17
+  136.0517 1972849.6 12
+  137.0595 152708240 999
+  139.0751 2083730.4 13
+  140.0466 20258824 132
+  153.0542 3453670 22
+//
diff --git a/Eawag/MSBNK-EAWAG-ED148108.txt b/Eawag/MSBNK-EAWAG-ED148108.txt
new file mode 100644
index 0000000000..83cb97d041
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED148108.txt
@@ -0,0 +1,83 @@
+ACCESSION: MSBNK-EAWAG-ED148108
+RECORD_TITLE: Hierridin B; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.6b00351
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1481
+CH$NAME: Hierridin B
+CH$NAME: 2,4-dimethoxy-6-pentadecylphenol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C23H40O3
+CH$EXACT_MASS: 364.2977451
+CH$SMILES: CCCCCCCCCCCCCCCC1=CC(=CC(=C1O)OC)OC
+CH$IUPAC: InChI=1S/C23H40O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-18-21(25-2)19-22(26-3)23(20)24/h18-19,24H,4-17H2,1-3H3
+CH$LINK: PUBCHEM CID:10021709
+CH$LINK: INCHIKEY VNEAIGHVYDWTTQ-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 8197282
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-394
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 17.693 min
+MS$FOCUSED_ION: BASE_PEAK 365.3037
+MS$FOCUSED_ION: PRECURSOR_M/Z 365.305
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-000i-2900000000-e5891ff325b1059a0190
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  55.0543 C4H7+ 1 55.0542 0.74
+  57.0699 C4H9+ 1 57.0699 0.01
+  69.0698 C5H9+ 1 69.0699 -1
+  71.0855 C5H11+ 1 71.0855 0.04
+  77.0385 C6H5+ 1 77.0386 -0.88
+  79.0542 C6H7+ 1 79.0542 0.15
+  81.0698 C6H9+ 1 81.0699 -0.66
+  91.0541 C7H7+ 1 91.0542 -1.18
+  94.0413 C6H6O+ 1 94.0413 -0.17
+  95.0492 C6H7O+ 1 95.0491 0.83
+  105.0334 C7H5O+ 1 105.0335 -1.09
+  107.049 C7H7O+ 1 107.0491 -1.35
+  109.0647 C7H9O+ 1 109.0648 -0.85
+  123.0439 C7H7O2+ 1 123.0441 -1.43
+  125.0232 C6H5O3+ 1 125.0233 -0.89
+  125.0595 C7H9O2+ 1 125.0597 -1.63
+  136.0517 C8H8O2+ 1 136.0519 -1.13
+  137.0595 C8H9O2+ 1 137.0597 -1.24
+  139.0752 C8H11O2+ 1 139.0754 -0.88
+  140.0466 C7H8O3+ 1 140.0468 -1.36
+PK$NUM_PEAK: 20
+PK$PEAK: m/z int. rel.int.
+  55.0543 4371580 41
+  57.0699 14431666 136
+  69.0698 1896563.4 17
+  71.0855 2482639 23
+  77.0385 4418526 41
+  79.0542 15526542 147
+  81.0698 8323889 78
+  91.0541 1635308.5 15
+  94.0413 3688416.8 34
+  95.0492 5579233.5 52
+  105.0334 9456708 89
+  107.049 8026242.5 76
+  109.0647 35286240 334
+  123.0439 9567472 90
+  125.0232 2578081 24
+  125.0595 4582942 43
+  136.0517 1387748.1 13
+  137.0595 105317024 999
+  139.0752 2163277.8 20
+  140.0466 19695446 186
+//
diff --git a/Eawag/MSBNK-EAWAG-ED148109.txt b/Eawag/MSBNK-EAWAG-ED148109.txt
new file mode 100644
index 0000000000..745134bd6d
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED148109.txt
@@ -0,0 +1,81 @@
+ACCESSION: MSBNK-EAWAG-ED148109
+RECORD_TITLE: Hierridin B; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.6b00351
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1481
+CH$NAME: Hierridin B
+CH$NAME: 2,4-dimethoxy-6-pentadecylphenol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C23H40O3
+CH$EXACT_MASS: 364.2977451
+CH$SMILES: CCCCCCCCCCCCCCCC1=CC(=CC(=C1O)OC)OC
+CH$IUPAC: InChI=1S/C23H40O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-18-21(25-2)19-22(26-3)23(20)24/h18-19,24H,4-17H2,1-3H3
+CH$LINK: PUBCHEM CID:10021709
+CH$LINK: INCHIKEY VNEAIGHVYDWTTQ-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 8197282
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-394
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 17.693 min
+MS$FOCUSED_ION: BASE_PEAK 365.3037
+MS$FOCUSED_ION: PRECURSOR_M/Z 365.305
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0a4r-4900000000-b7cc5d30917b496ea0e8
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  55.0543 C4H7+ 1 55.0542 1.02
+  57.0699 C4H9+ 1 57.0699 0.08
+  69.0699 C5H9+ 1 69.0699 0.66
+  71.0857 C5H11+ 1 71.0855 1.86
+  77.0385 C6H5+ 1 77.0386 -0.98
+  79.0542 C6H7+ 1 79.0542 -0.82
+  81.0699 C6H9+ 1 81.0699 -0.29
+  94.0411 C6H6O+ 1 94.0413 -1.87
+  95.0491 C6H7O+ 1 95.0491 -0.3
+  105.0335 C7H5O+ 1 105.0335 0.29
+  107.049 C7H7O+ 1 107.0491 -0.99
+  109.0647 C7H9O+ 1 109.0648 -0.92
+  123.0439 C7H7O2+ 1 123.0441 -0.93
+  125.0233 C6H5O3+ 1 125.0233 0.02
+  125.0597 C7H9O2+ 1 125.0597 -0.35
+  137.0595 C8H9O2+ 1 137.0597 -1.46
+  139.0753 C8H11O2+ 1 139.0754 -0.44
+  140.0465 C7H8O3+ 1 140.0468 -2.23
+  153.0546 C8H9O3+ 1 153.0546 0.1
+PK$NUM_PEAK: 19
+PK$PEAK: m/z int. rel.int.
+  55.0543 3959018.8 70
+  57.0699 10296185 182
+  69.0699 1925879.2 34
+  71.0857 1458864.8 25
+  77.0385 6390128.5 113
+  79.0542 22389196 396
+  81.0699 11002343 195
+  94.0411 6422758 113
+  95.0491 11141433 197
+  105.0335 10657297 188
+  107.049 7875164 139
+  109.0647 37527960 665
+  123.0439 7029593.5 124
+  125.0233 4723363.5 83
+  125.0597 4082166 72
+  137.0595 56353128 999
+  139.0753 1654825.8 29
+  140.0465 15830111 280
+  153.0546 2149480 38
+//
diff --git a/Eawag/MSBNK-EAWAG-ED148151.txt b/Eawag/MSBNK-EAWAG-ED148151.txt
new file mode 100644
index 0000000000..b29aef1d50
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED148151.txt
@@ -0,0 +1,49 @@
+ACCESSION: MSBNK-EAWAG-ED148151
+RECORD_TITLE: Hierridin B; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.6b00351
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1481
+CH$NAME: Hierridin B
+CH$NAME: 2,4-dimethoxy-6-pentadecylphenol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C23H40O3
+CH$EXACT_MASS: 364.2977451
+CH$SMILES: CCCCCCCCCCCCCCCC1=CC(=CC(=C1O)OC)OC
+CH$IUPAC: InChI=1S/C23H40O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-18-21(25-2)19-22(26-3)23(20)24/h18-19,24H,4-17H2,1-3H3
+CH$LINK: PUBCHEM CID:10021709
+CH$LINK: INCHIKEY VNEAIGHVYDWTTQ-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 8197282
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-392
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 17.706 min
+MS$FOCUSED_ION: BASE_PEAK 363.2904
+MS$FOCUSED_ION: PRECURSOR_M/Z 363.2905
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03di-0009000000-bca66254cc6ce791c186
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  333.2421 C21H33O3- 1 333.2435 -4.19
+  348.2667 C22H36O3- 1 348.267 -0.76
+  363.2904 C23H39O3- 1 363.2905 -0.19
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  333.2421 141431.8 12
+  348.2667 1626766 140
+  363.2904 11583147 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED148152.txt b/Eawag/MSBNK-EAWAG-ED148152.txt
new file mode 100644
index 0000000000..81276297ae
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED148152.txt
@@ -0,0 +1,49 @@
+ACCESSION: MSBNK-EAWAG-ED148152
+RECORD_TITLE: Hierridin B; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.6b00351
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1481
+CH$NAME: Hierridin B
+CH$NAME: 2,4-dimethoxy-6-pentadecylphenol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C23H40O3
+CH$EXACT_MASS: 364.2977451
+CH$SMILES: CCCCCCCCCCCCCCCC1=CC(=CC(=C1O)OC)OC
+CH$IUPAC: InChI=1S/C23H40O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-18-21(25-2)19-22(26-3)23(20)24/h18-19,24H,4-17H2,1-3H3
+CH$LINK: PUBCHEM CID:10021709
+CH$LINK: INCHIKEY VNEAIGHVYDWTTQ-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 8197282
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-392
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 17.706 min
+MS$FOCUSED_ION: BASE_PEAK 363.2904
+MS$FOCUSED_ION: PRECURSOR_M/Z 363.2905
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03dj-0009000000-d3951ec6388a9a14aa78
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  333.2427 C21H33O3- 1 333.2435 -2.36
+  348.2671 C22H36O3- 1 348.267 0.38
+  363.2906 C23H39O3- 1 363.2905 0.31
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  333.2427 265031.3 34
+  348.2671 5350514.5 700
+  363.2906 7625413.5 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED148153.txt b/Eawag/MSBNK-EAWAG-ED148153.txt
new file mode 100644
index 0000000000..e7b188d23c
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED148153.txt
@@ -0,0 +1,49 @@
+ACCESSION: MSBNK-EAWAG-ED148153
+RECORD_TITLE: Hierridin B; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.6b00351
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1481
+CH$NAME: Hierridin B
+CH$NAME: 2,4-dimethoxy-6-pentadecylphenol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C23H40O3
+CH$EXACT_MASS: 364.2977451
+CH$SMILES: CCCCCCCCCCCCCCCC1=CC(=CC(=C1O)OC)OC
+CH$IUPAC: InChI=1S/C23H40O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-18-21(25-2)19-22(26-3)23(20)24/h18-19,24H,4-17H2,1-3H3
+CH$LINK: PUBCHEM CID:10021709
+CH$LINK: INCHIKEY VNEAIGHVYDWTTQ-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 8197282
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-392
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 17.706 min
+MS$FOCUSED_ION: BASE_PEAK 363.2904
+MS$FOCUSED_ION: PRECURSOR_M/Z 363.2905
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0002-0009000000-f41a66e492279e621eb7
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  333.2431 C21H33O3- 1 333.2435 -1.17
+  348.267 C22H36O3- 1 348.267 0.03
+  363.2906 C23H39O3- 1 363.2905 0.23
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  333.2431 1264282 140
+  348.267 9020434 999
+  363.2906 3284456.2 363
+//
diff --git a/Eawag/MSBNK-EAWAG-ED148154.txt b/Eawag/MSBNK-EAWAG-ED148154.txt
new file mode 100644
index 0000000000..2e7992588d
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED148154.txt
@@ -0,0 +1,49 @@
+ACCESSION: MSBNK-EAWAG-ED148154
+RECORD_TITLE: Hierridin B; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.6b00351
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1481
+CH$NAME: Hierridin B
+CH$NAME: 2,4-dimethoxy-6-pentadecylphenol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C23H40O3
+CH$EXACT_MASS: 364.2977451
+CH$SMILES: CCCCCCCCCCCCCCCC1=CC(=CC(=C1O)OC)OC
+CH$IUPAC: InChI=1S/C23H40O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-18-21(25-2)19-22(26-3)23(20)24/h18-19,24H,4-17H2,1-3H3
+CH$LINK: PUBCHEM CID:10021709
+CH$LINK: INCHIKEY VNEAIGHVYDWTTQ-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 8197282
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-392
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 17.706 min
+MS$FOCUSED_ION: BASE_PEAK 363.2904
+MS$FOCUSED_ION: PRECURSOR_M/Z 363.2905
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0002-0009000000-515b5aae0be7a5cef941
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  333.2434 C21H33O3- 1 333.2435 -0.44
+  348.267 C22H36O3- 1 348.267 0.03
+  363.2904 C23H39O3- 1 363.2905 -0.11
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  333.2434 3581390 468
+  348.267 7641449 999
+  363.2904 706611.4 92
+//
diff --git a/Eawag/MSBNK-EAWAG-ED148155.txt b/Eawag/MSBNK-EAWAG-ED148155.txt
new file mode 100644
index 0000000000..485d348af0
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED148155.txt
@@ -0,0 +1,47 @@
+ACCESSION: MSBNK-EAWAG-ED148155
+RECORD_TITLE: Hierridin B; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.6b00351
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1481
+CH$NAME: Hierridin B
+CH$NAME: 2,4-dimethoxy-6-pentadecylphenol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C23H40O3
+CH$EXACT_MASS: 364.2977451
+CH$SMILES: CCCCCCCCCCCCCCCC1=CC(=CC(=C1O)OC)OC
+CH$IUPAC: InChI=1S/C23H40O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-18-21(25-2)19-22(26-3)23(20)24/h18-19,24H,4-17H2,1-3H3
+CH$LINK: PUBCHEM CID:10021709
+CH$LINK: INCHIKEY VNEAIGHVYDWTTQ-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 8197282
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-392
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 17.706 min
+MS$FOCUSED_ION: BASE_PEAK 363.2904
+MS$FOCUSED_ION: PRECURSOR_M/Z 363.2905
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-001i-0009000000-6afda970849abc9ffb32
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  333.2433 C21H33O3- 1 333.2435 -0.62
+  348.2668 C22H36O3- 1 348.267 -0.67
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  333.2433 9777498 999
+  348.2668 1898594.9 193
+//
diff --git a/Eawag/MSBNK-EAWAG-ED148156.txt b/Eawag/MSBNK-EAWAG-ED148156.txt
new file mode 100644
index 0000000000..679d08c112
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED148156.txt
@@ -0,0 +1,47 @@
+ACCESSION: MSBNK-EAWAG-ED148156
+RECORD_TITLE: Hierridin B; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.6b00351
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1481
+CH$NAME: Hierridin B
+CH$NAME: 2,4-dimethoxy-6-pentadecylphenol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C23H40O3
+CH$EXACT_MASS: 364.2977451
+CH$SMILES: CCCCCCCCCCCCCCCC1=CC(=CC(=C1O)OC)OC
+CH$IUPAC: InChI=1S/C23H40O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-18-21(25-2)19-22(26-3)23(20)24/h18-19,24H,4-17H2,1-3H3
+CH$LINK: PUBCHEM CID:10021709
+CH$LINK: INCHIKEY VNEAIGHVYDWTTQ-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 8197282
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-392
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 17.706 min
+MS$FOCUSED_ION: BASE_PEAK 363.2904
+MS$FOCUSED_ION: PRECURSOR_M/Z 363.2905
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-001i-0009000000-a1887e37c9654d76c79b
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  305.2483 C20H33O2- 1 305.2486 -0.92
+  333.2432 C21H33O3- 1 333.2435 -0.81
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  305.2483 745846.2 89
+  333.2432 8297264.5 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED148157.txt b/Eawag/MSBNK-EAWAG-ED148157.txt
new file mode 100644
index 0000000000..683b13f562
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED148157.txt
@@ -0,0 +1,53 @@
+ACCESSION: MSBNK-EAWAG-ED148157
+RECORD_TITLE: Hierridin B; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.6b00351
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1481
+CH$NAME: Hierridin B
+CH$NAME: 2,4-dimethoxy-6-pentadecylphenol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C23H40O3
+CH$EXACT_MASS: 364.2977451
+CH$SMILES: CCCCCCCCCCCCCCCC1=CC(=CC(=C1O)OC)OC
+CH$IUPAC: InChI=1S/C23H40O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-18-21(25-2)19-22(26-3)23(20)24/h18-19,24H,4-17H2,1-3H3
+CH$LINK: PUBCHEM CID:10021709
+CH$LINK: INCHIKEY VNEAIGHVYDWTTQ-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 8197282
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-392
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 17.706 min
+MS$FOCUSED_ION: BASE_PEAK 363.2904
+MS$FOCUSED_ION: PRECURSOR_M/Z 363.2905
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-053r-0009000000-8bb5577d7e5476c1c46f
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  108.0218 C6H4O2- 1 108.0217 0.73
+  136.0162 C7H4O3- 1 136.0166 -2.59
+  150.0322 C8H6O3- 1 150.0322 -0.43
+  305.2484 C20H33O2- 1 305.2486 -0.72
+  333.2434 C21H33O3- 1 333.2435 -0.44
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  108.0218 189744.4 39
+  136.0162 69483.1 14
+  150.0322 58824.3 12
+  305.2484 3242002.8 675
+  333.2434 4794444.5 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED148158.txt b/Eawag/MSBNK-EAWAG-ED148158.txt
new file mode 100644
index 0000000000..5206539634
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED148158.txt
@@ -0,0 +1,55 @@
+ACCESSION: MSBNK-EAWAG-ED148158
+RECORD_TITLE: Hierridin B; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.6b00351
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1481
+CH$NAME: Hierridin B
+CH$NAME: 2,4-dimethoxy-6-pentadecylphenol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C23H40O3
+CH$EXACT_MASS: 364.2977451
+CH$SMILES: CCCCCCCCCCCCCCCC1=CC(=CC(=C1O)OC)OC
+CH$IUPAC: InChI=1S/C23H40O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-18-21(25-2)19-22(26-3)23(20)24/h18-19,24H,4-17H2,1-3H3
+CH$LINK: PUBCHEM CID:10021709
+CH$LINK: INCHIKEY VNEAIGHVYDWTTQ-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 8197282
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-392
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 17.706 min
+MS$FOCUSED_ION: BASE_PEAK 363.2904
+MS$FOCUSED_ION: PRECURSOR_M/Z 363.2905
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0a4i-0209000000-4e460a52f3a37961631a
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  108.0217 C6H4O2- 1 108.0217 0.66
+  109.0295 C6H5O2- 1 109.0295 -0.1
+  136.0168 C7H4O3- 1 136.0166 1.45
+  150.0325 C8H6O3- 1 150.0322 1.7
+  305.2484 C20H33O2- 1 305.2486 -0.82
+  333.2432 C21H33O3- 1 333.2435 -1.08
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  108.0217 1083766.2 285
+  109.0295 155058.6 40
+  136.0168 102041.8 26
+  150.0325 72553.2 19
+  305.2484 3798522.8 999
+  333.2432 1234631 324
+//
diff --git a/Eawag/MSBNK-EAWAG-ED148159.txt b/Eawag/MSBNK-EAWAG-ED148159.txt
new file mode 100644
index 0000000000..7ecccfb64d
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED148159.txt
@@ -0,0 +1,55 @@
+ACCESSION: MSBNK-EAWAG-ED148159
+RECORD_TITLE: Hierridin B; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], P. Leao [dtc], M. Preto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1021/acs.jnatprod.6b00351
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1481
+CH$NAME: Hierridin B
+CH$NAME: 2,4-dimethoxy-6-pentadecylphenol
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C23H40O3
+CH$EXACT_MASS: 364.2977451
+CH$SMILES: CCCCCCCCCCCCCCCC1=CC(=CC(=C1O)OC)OC
+CH$IUPAC: InChI=1S/C23H40O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-18-21(25-2)19-22(26-3)23(20)24/h18-19,24H,4-17H2,1-3H3
+CH$LINK: PUBCHEM CID:10021709
+CH$LINK: INCHIKEY VNEAIGHVYDWTTQ-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 8197282
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-392
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 17.706 min
+MS$FOCUSED_ION: BASE_PEAK 363.2904
+MS$FOCUSED_ION: PRECURSOR_M/Z 363.2905
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0a4i-0906000000-2ebdbf5f93a8cb7e5bd0
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  108.0217 C6H4O2- 1 108.0217 0.66
+  109.0297 C6H5O2- 1 109.0295 1.58
+  136.0167 C7H4O3- 1 136.0166 0.66
+  150.032 C8H6O3- 1 150.0322 -1.76
+  305.2484 C20H33O2- 1 305.2486 -0.72
+  333.244 C21H33O3- 1 333.2435 1.48
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  108.0217 2096384.9 999
+  109.0297 162463.2 77
+  136.0167 124240.1 59
+  150.032 64860.5 30
+  305.2484 1592652.5 758
+  333.244 135087.8 64
+//
diff --git a/Eawag/MSBNK-EAWAG-ED150301.txt b/Eawag/MSBNK-EAWAG-ED150301.txt
new file mode 100644
index 0000000000..35d41a5b4b
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED150301.txt
@@ -0,0 +1,46 @@
+ACCESSION: MSBNK-EAWAG-ED150301
+RECORD_TITLE: Nostosin B; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], D. Fewer [dtc], J. Jokela [dtc], M. Wahlsten [dtc], T. Shishido [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://pubs.acs.org/doi/10.1021/np500106w
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1503
+CH$NAME: Nostosin B
+CH$NAME: N-(5-guanidino-1-hydroxypentan-2-yl)-2-(2-hydroxy-4-(4-hydroxyphenyl)butanamido)-3-methylpentanamide
+CH$NAME: (2S,3S)-N-[(2S)-5-(diaminomethylideneamino)-1-hydroxypentan-2-yl]-2-[[2-hydroxy-4-(4-hydroxyphenyl)butanoyl]amino]-3-methylpentanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C22H37N5O5
+CH$EXACT_MASS: 451.2794693
+CH$SMILES: OC1=CC=C(C=C1)CCC(C(N[C@H](C(N[C@@H](CCCNC(N)=N)CO)=O)[C@@H](C)CC)=O)O
+CH$IUPAC: InChI=1S/C22H37N5O5/c1-3-14(2)19(21(32)26-16(13-28)5-4-12-25-22(23)24)27-20(31)18(30)11-8-15-6-9-17(29)10-7-15/h6-7,9-10,14,16,18-19,28-30H,3-5,8,11-13H2,1-2H3,(H,26,32)(H,27,31)(H4,23,24,25)/t14-,16-,18?,19-/m0/s1
+CH$LINK: PUBCHEM CID:118711063
+CH$LINK: INCHIKEY NFEXMBMBZZNYQK-JEWWICQWSA-N
+CH$LINK: CHEMSPIDER 58114963
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-482
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.961 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 452.2867
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0udi-0000900000-79e17661e9e3b8a83b2a
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  452.2864 C22H38N5O5+ 1 452.2867 -0.78
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  452.2864 833761.8 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED150302.txt b/Eawag/MSBNK-EAWAG-ED150302.txt
new file mode 100644
index 0000000000..cf03ce08e1
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED150302.txt
@@ -0,0 +1,46 @@
+ACCESSION: MSBNK-EAWAG-ED150302
+RECORD_TITLE: Nostosin B; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], D. Fewer [dtc], J. Jokela [dtc], M. Wahlsten [dtc], T. Shishido [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://pubs.acs.org/doi/10.1021/np500106w
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1503
+CH$NAME: Nostosin B
+CH$NAME: N-(5-guanidino-1-hydroxypentan-2-yl)-2-(2-hydroxy-4-(4-hydroxyphenyl)butanamido)-3-methylpentanamide
+CH$NAME: (2S,3S)-N-[(2S)-5-(diaminomethylideneamino)-1-hydroxypentan-2-yl]-2-[[2-hydroxy-4-(4-hydroxyphenyl)butanoyl]amino]-3-methylpentanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C22H37N5O5
+CH$EXACT_MASS: 451.2794693
+CH$SMILES: OC1=CC=C(C=C1)CCC(C(N[C@H](C(N[C@@H](CCCNC(N)=N)CO)=O)[C@@H](C)CC)=O)O
+CH$IUPAC: InChI=1S/C22H37N5O5/c1-3-14(2)19(21(32)26-16(13-28)5-4-12-25-22(23)24)27-20(31)18(30)11-8-15-6-9-17(29)10-7-15/h6-7,9-10,14,16,18-19,28-30H,3-5,8,11-13H2,1-2H3,(H,26,32)(H,27,31)(H4,23,24,25)/t14-,16-,18?,19-/m0/s1
+CH$LINK: PUBCHEM CID:118711063
+CH$LINK: INCHIKEY NFEXMBMBZZNYQK-JEWWICQWSA-N
+CH$LINK: CHEMSPIDER 58114963
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-482
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.961 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 452.2867
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0udi-0000900000-699a8d904ba57ab1712d
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  452.2866 C22H38N5O5+ 1 452.2867 -0.24
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  452.2866 734313.8 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED150303.txt b/Eawag/MSBNK-EAWAG-ED150303.txt
new file mode 100644
index 0000000000..bf3995d906
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED150303.txt
@@ -0,0 +1,48 @@
+ACCESSION: MSBNK-EAWAG-ED150303
+RECORD_TITLE: Nostosin B; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], D. Fewer [dtc], J. Jokela [dtc], M. Wahlsten [dtc], T. Shishido [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://pubs.acs.org/doi/10.1021/np500106w
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1503
+CH$NAME: Nostosin B
+CH$NAME: N-(5-guanidino-1-hydroxypentan-2-yl)-2-(2-hydroxy-4-(4-hydroxyphenyl)butanamido)-3-methylpentanamide
+CH$NAME: (2S,3S)-N-[(2S)-5-(diaminomethylideneamino)-1-hydroxypentan-2-yl]-2-[[2-hydroxy-4-(4-hydroxyphenyl)butanoyl]amino]-3-methylpentanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C22H37N5O5
+CH$EXACT_MASS: 451.2794693
+CH$SMILES: OC1=CC=C(C=C1)CCC(C(N[C@H](C(N[C@@H](CCCNC(N)=N)CO)=O)[C@@H](C)CC)=O)O
+CH$IUPAC: InChI=1S/C22H37N5O5/c1-3-14(2)19(21(32)26-16(13-28)5-4-12-25-22(23)24)27-20(31)18(30)11-8-15-6-9-17(29)10-7-15/h6-7,9-10,14,16,18-19,28-30H,3-5,8,11-13H2,1-2H3,(H,26,32)(H,27,31)(H4,23,24,25)/t14-,16-,18?,19-/m0/s1
+CH$LINK: PUBCHEM CID:118711063
+CH$LINK: INCHIKEY NFEXMBMBZZNYQK-JEWWICQWSA-N
+CH$LINK: CHEMSPIDER 58114963
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-482
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.961 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 452.2867
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0udi-0000900000-6f3086e2584c919b8ec4
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  144.1129 C6H14N3O+ 1 144.1131 -1.34
+  452.2866 C22H38N5O5+ 1 452.2867 -0.31
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  144.1129 26365.2 37
+  452.2866 708511.7 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED150304.txt b/Eawag/MSBNK-EAWAG-ED150304.txt
new file mode 100644
index 0000000000..703c62ce95
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED150304.txt
@@ -0,0 +1,50 @@
+ACCESSION: MSBNK-EAWAG-ED150304
+RECORD_TITLE: Nostosin B; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], D. Fewer [dtc], J. Jokela [dtc], M. Wahlsten [dtc], T. Shishido [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://pubs.acs.org/doi/10.1021/np500106w
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1503
+CH$NAME: Nostosin B
+CH$NAME: N-(5-guanidino-1-hydroxypentan-2-yl)-2-(2-hydroxy-4-(4-hydroxyphenyl)butanamido)-3-methylpentanamide
+CH$NAME: (2S,3S)-N-[(2S)-5-(diaminomethylideneamino)-1-hydroxypentan-2-yl]-2-[[2-hydroxy-4-(4-hydroxyphenyl)butanoyl]amino]-3-methylpentanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C22H37N5O5
+CH$EXACT_MASS: 451.2794693
+CH$SMILES: OC1=CC=C(C=C1)CCC(C(N[C@H](C(N[C@@H](CCCNC(N)=N)CO)=O)[C@@H](C)CC)=O)O
+CH$IUPAC: InChI=1S/C22H37N5O5/c1-3-14(2)19(21(32)26-16(13-28)5-4-12-25-22(23)24)27-20(31)18(30)11-8-15-6-9-17(29)10-7-15/h6-7,9-10,14,16,18-19,28-30H,3-5,8,11-13H2,1-2H3,(H,26,32)(H,27,31)(H4,23,24,25)/t14-,16-,18?,19-/m0/s1
+CH$LINK: PUBCHEM CID:118711063
+CH$LINK: INCHIKEY NFEXMBMBZZNYQK-JEWWICQWSA-N
+CH$LINK: CHEMSPIDER 58114963
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-482
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.961 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 452.2867
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0udi-0110900000-c6321b8ebee6285b14b9
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  144.1129 C6H14N3O+ 1 144.1131 -1.97
+  264.159 C15H22NO3+ 2 264.1594 -1.6
+  452.2866 C22H38N5O5+ 1 452.2867 -0.24
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  144.1129 83406.5 180
+  264.159 68817.2 149
+  452.2866 460685.2 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED150305.txt b/Eawag/MSBNK-EAWAG-ED150305.txt
new file mode 100644
index 0000000000..d4d33be98e
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED150305.txt
@@ -0,0 +1,54 @@
+ACCESSION: MSBNK-EAWAG-ED150305
+RECORD_TITLE: Nostosin B; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], D. Fewer [dtc], J. Jokela [dtc], M. Wahlsten [dtc], T. Shishido [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://pubs.acs.org/doi/10.1021/np500106w
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1503
+CH$NAME: Nostosin B
+CH$NAME: N-(5-guanidino-1-hydroxypentan-2-yl)-2-(2-hydroxy-4-(4-hydroxyphenyl)butanamido)-3-methylpentanamide
+CH$NAME: (2S,3S)-N-[(2S)-5-(diaminomethylideneamino)-1-hydroxypentan-2-yl]-2-[[2-hydroxy-4-(4-hydroxyphenyl)butanoyl]amino]-3-methylpentanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C22H37N5O5
+CH$EXACT_MASS: 451.2794693
+CH$SMILES: OC1=CC=C(C=C1)CCC(C(N[C@H](C(N[C@@H](CCCNC(N)=N)CO)=O)[C@@H](C)CC)=O)O
+CH$IUPAC: InChI=1S/C22H37N5O5/c1-3-14(2)19(21(32)26-16(13-28)5-4-12-25-22(23)24)27-20(31)18(30)11-8-15-6-9-17(29)10-7-15/h6-7,9-10,14,16,18-19,28-30H,3-5,8,11-13H2,1-2H3,(H,26,32)(H,27,31)(H4,23,24,25)/t14-,16-,18?,19-/m0/s1
+CH$LINK: PUBCHEM CID:118711063
+CH$LINK: INCHIKEY NFEXMBMBZZNYQK-JEWWICQWSA-N
+CH$LINK: CHEMSPIDER 58114963
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-482
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.961 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 452.2867
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0gw3-8980400000-abb38d0313b2ba8f16a2
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  86.0964 C5H12N+ 1 86.0964 -0.21
+  102.0913 C5H12NO+ 1 102.0913 -0.75
+  144.1128 C6H14N3O+ 1 144.1131 -2.18
+  264.1596 C15H22NO3+ 1 264.1594 0.83
+  452.2858 C22H38N5O5+ 1 452.2867 -2.13
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  86.0964 151033.7 999
+  102.0913 65013.7 430
+  144.1128 92955.5 614
+  264.1596 140504.2 929
+  452.2858 72734.9 481
+//
diff --git a/Eawag/MSBNK-EAWAG-ED150306.txt b/Eawag/MSBNK-EAWAG-ED150306.txt
new file mode 100644
index 0000000000..cef1250ebd
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED150306.txt
@@ -0,0 +1,56 @@
+ACCESSION: MSBNK-EAWAG-ED150306
+RECORD_TITLE: Nostosin B; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], D. Fewer [dtc], J. Jokela [dtc], M. Wahlsten [dtc], T. Shishido [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://pubs.acs.org/doi/10.1021/np500106w
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1503
+CH$NAME: Nostosin B
+CH$NAME: N-(5-guanidino-1-hydroxypentan-2-yl)-2-(2-hydroxy-4-(4-hydroxyphenyl)butanamido)-3-methylpentanamide
+CH$NAME: (2S,3S)-N-[(2S)-5-(diaminomethylideneamino)-1-hydroxypentan-2-yl]-2-[[2-hydroxy-4-(4-hydroxyphenyl)butanoyl]amino]-3-methylpentanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C22H37N5O5
+CH$EXACT_MASS: 451.2794693
+CH$SMILES: OC1=CC=C(C=C1)CCC(C(N[C@H](C(N[C@@H](CCCNC(N)=N)CO)=O)[C@@H](C)CC)=O)O
+CH$IUPAC: InChI=1S/C22H37N5O5/c1-3-14(2)19(21(32)26-16(13-28)5-4-12-25-22(23)24)27-20(31)18(30)11-8-15-6-9-17(29)10-7-15/h6-7,9-10,14,16,18-19,28-30H,3-5,8,11-13H2,1-2H3,(H,26,32)(H,27,31)(H4,23,24,25)/t14-,16-,18?,19-/m0/s1
+CH$LINK: PUBCHEM CID:118711063
+CH$LINK: INCHIKEY NFEXMBMBZZNYQK-JEWWICQWSA-N
+CH$LINK: CHEMSPIDER 58114963
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-482
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.961 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 452.2867
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-000i-9310000000-9ac3c6d0eeb6ed692ca7
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  84.0809 C5H10N+ 1 84.0808 1.12
+  86.0964 C5H12N+ 1 86.0964 -0.74
+  102.0914 C5H12NO+ 1 102.0913 0.22
+  107.0489 C7H7O+ 1 107.0491 -1.81
+  144.1133 C6H14N3O+ 1 144.1131 1.42
+  264.1596 C15H22NO3+ 1 264.1594 0.83
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  84.0809 17832.6 58
+  86.0964 303345 999
+  102.0914 68968.9 227
+  107.0489 21650.1 71
+  144.1133 50132.2 165
+  264.1596 46958.2 154
+//
diff --git a/Eawag/MSBNK-EAWAG-ED150307.txt b/Eawag/MSBNK-EAWAG-ED150307.txt
new file mode 100644
index 0000000000..543de27772
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED150307.txt
@@ -0,0 +1,56 @@
+ACCESSION: MSBNK-EAWAG-ED150307
+RECORD_TITLE: Nostosin B; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], D. Fewer [dtc], J. Jokela [dtc], M. Wahlsten [dtc], T. Shishido [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://pubs.acs.org/doi/10.1021/np500106w
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1503
+CH$NAME: Nostosin B
+CH$NAME: N-(5-guanidino-1-hydroxypentan-2-yl)-2-(2-hydroxy-4-(4-hydroxyphenyl)butanamido)-3-methylpentanamide
+CH$NAME: (2S,3S)-N-[(2S)-5-(diaminomethylideneamino)-1-hydroxypentan-2-yl]-2-[[2-hydroxy-4-(4-hydroxyphenyl)butanoyl]amino]-3-methylpentanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C22H37N5O5
+CH$EXACT_MASS: 451.2794693
+CH$SMILES: OC1=CC=C(C=C1)CCC(C(N[C@H](C(N[C@@H](CCCNC(N)=N)CO)=O)[C@@H](C)CC)=O)O
+CH$IUPAC: InChI=1S/C22H37N5O5/c1-3-14(2)19(21(32)26-16(13-28)5-4-12-25-22(23)24)27-20(31)18(30)11-8-15-6-9-17(29)10-7-15/h6-7,9-10,14,16,18-19,28-30H,3-5,8,11-13H2,1-2H3,(H,26,32)(H,27,31)(H4,23,24,25)/t14-,16-,18?,19-/m0/s1
+CH$LINK: PUBCHEM CID:118711063
+CH$LINK: INCHIKEY NFEXMBMBZZNYQK-JEWWICQWSA-N
+CH$LINK: CHEMSPIDER 58114963
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-482
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.961 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 452.2867
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-000i-9300000000-aefebfabd2db1a2ebfac
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  69.0697 C5H9+ 1 69.0699 -2.5
+  84.0807 C5H10N+ 1 84.0808 -0.33
+  86.0964 C5H12N+ 1 86.0964 -0.74
+  102.0913 C5H12NO+ 1 102.0913 -0.3
+  107.049 C7H7O+ 1 107.0491 -1.73
+  144.1132 C6H14N3O+ 1 144.1131 0.68
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  69.0697 30799.4 106
+  84.0807 32210.7 111
+  86.0964 287843.7 999
+  102.0913 66101 229
+  107.049 30183.6 104
+  144.1132 27040.1 93
+//
diff --git a/Eawag/MSBNK-EAWAG-ED150308.txt b/Eawag/MSBNK-EAWAG-ED150308.txt
new file mode 100644
index 0000000000..61813ead3b
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED150308.txt
@@ -0,0 +1,54 @@
+ACCESSION: MSBNK-EAWAG-ED150308
+RECORD_TITLE: Nostosin B; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], D. Fewer [dtc], J. Jokela [dtc], M. Wahlsten [dtc], T. Shishido [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://pubs.acs.org/doi/10.1021/np500106w
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1503
+CH$NAME: Nostosin B
+CH$NAME: N-(5-guanidino-1-hydroxypentan-2-yl)-2-(2-hydroxy-4-(4-hydroxyphenyl)butanamido)-3-methylpentanamide
+CH$NAME: (2S,3S)-N-[(2S)-5-(diaminomethylideneamino)-1-hydroxypentan-2-yl]-2-[[2-hydroxy-4-(4-hydroxyphenyl)butanoyl]amino]-3-methylpentanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C22H37N5O5
+CH$EXACT_MASS: 451.2794693
+CH$SMILES: OC1=CC=C(C=C1)CCC(C(N[C@H](C(N[C@@H](CCCNC(N)=N)CO)=O)[C@@H](C)CC)=O)O
+CH$IUPAC: InChI=1S/C22H37N5O5/c1-3-14(2)19(21(32)26-16(13-28)5-4-12-25-22(23)24)27-20(31)18(30)11-8-15-6-9-17(29)10-7-15/h6-7,9-10,14,16,18-19,28-30H,3-5,8,11-13H2,1-2H3,(H,26,32)(H,27,31)(H4,23,24,25)/t14-,16-,18?,19-/m0/s1
+CH$LINK: PUBCHEM CID:118711063
+CH$LINK: INCHIKEY NFEXMBMBZZNYQK-JEWWICQWSA-N
+CH$LINK: CHEMSPIDER 58114963
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-482
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.961 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 452.2867
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-000i-9200000000-6295b5ac77628418c516
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  69.0698 C5H9+ 1 69.0699 -1.4
+  84.0808 C5H10N+ 1 84.0808 0.3
+  86.0964 C5H12N+ 1 86.0964 -0.74
+  102.0913 C5H12NO+ 1 102.0913 -0.6
+  107.0489 C7H7O+ 1 107.0491 -2.02
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  69.0698 40800.7 170
+  84.0808 40592.8 169
+  86.0964 238982.4 999
+  102.0913 52161.6 218
+  107.0489 50428.4 210
+//
diff --git a/Eawag/MSBNK-EAWAG-ED150309.txt b/Eawag/MSBNK-EAWAG-ED150309.txt
new file mode 100644
index 0000000000..b24f09cae0
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED150309.txt
@@ -0,0 +1,54 @@
+ACCESSION: MSBNK-EAWAG-ED150309
+RECORD_TITLE: Nostosin B; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], D. Fewer [dtc], J. Jokela [dtc], M. Wahlsten [dtc], T. Shishido [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://pubs.acs.org/doi/10.1021/np500106w
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1503
+CH$NAME: Nostosin B
+CH$NAME: N-(5-guanidino-1-hydroxypentan-2-yl)-2-(2-hydroxy-4-(4-hydroxyphenyl)butanamido)-3-methylpentanamide
+CH$NAME: (2S,3S)-N-[(2S)-5-(diaminomethylideneamino)-1-hydroxypentan-2-yl]-2-[[2-hydroxy-4-(4-hydroxyphenyl)butanoyl]amino]-3-methylpentanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C22H37N5O5
+CH$EXACT_MASS: 451.2794693
+CH$SMILES: OC1=CC=C(C=C1)CCC(C(N[C@H](C(N[C@@H](CCCNC(N)=N)CO)=O)[C@@H](C)CC)=O)O
+CH$IUPAC: InChI=1S/C22H37N5O5/c1-3-14(2)19(21(32)26-16(13-28)5-4-12-25-22(23)24)27-20(31)18(30)11-8-15-6-9-17(29)10-7-15/h6-7,9-10,14,16,18-19,28-30H,3-5,8,11-13H2,1-2H3,(H,26,32)(H,27,31)(H4,23,24,25)/t14-,16-,18?,19-/m0/s1
+CH$LINK: PUBCHEM CID:118711063
+CH$LINK: INCHIKEY NFEXMBMBZZNYQK-JEWWICQWSA-N
+CH$LINK: CHEMSPIDER 58114963
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-482
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.961 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 452.2867
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-000i-9300000000-b35774353435e78ce22b
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  69.0699 C5H9+ 1 69.0699 0.37
+  84.0807 C5H10N+ 1 84.0808 -0.42
+  86.0964 C5H12N+ 1 86.0964 -0.74
+  102.0913 C5H12NO+ 1 102.0913 -0.53
+  107.049 C7H7O+ 1 107.0491 -1.73
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  69.0699 59740.6 321
+  84.0807 42490.9 228
+  86.0964 185868.5 999
+  102.0913 39946.9 214
+  107.049 60367.2 324
+//
diff --git a/Eawag/MSBNK-EAWAG-ED150401.txt b/Eawag/MSBNK-EAWAG-ED150401.txt
new file mode 100644
index 0000000000..e0dc57ceb9
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED150401.txt
@@ -0,0 +1,48 @@
+ACCESSION: MSBNK-EAWAG-ED150401
+RECORD_TITLE: Nostosin A; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], D. Fewer [dtc], J. Jokela [dtc], M. Wahlsten [dtc], T. Shishido [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://pubs.acs.org/doi/10.1021/np500106w
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1504
+CH$NAME: Nostosin A
+CH$NAME: N-(5-guanidino-1-oxopentan-2-yl)-2-(2-hydroxy-4-(4-hydroxyphenyl)butanamido)-3-methylpentanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C22H35N5O5
+CH$EXACT_MASS: 449.2638192
+CH$SMILES: OC1=CC=C(CCC(O)C(N[C@@H]([C@H](CC)C)C(N[C@H](C2O)CCCN2C(N)=N)=O)=O)C=C1
+CH$IUPAC: InChI=1S/C22H35N5O5/c1-3-13(2)18(20(31)25-16-5-4-12-27(21(16)32)22(23)24)26-19(30)17(29)11-8-14-6-9-15(28)10-7-14/h6-7,9-10,13,16-18,21,28-29,32H,3-5,8,11-12H2,1-2H3,(H3,23,24)(H,25,31)(H,26,30)/t13-,16-,17?,18-,21?/m0/s1
+CH$LINK: PUBCHEM CID:146683699
+CH$LINK: INCHIKEY MKNWXPPWASGIJB-MBFYVNQYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-480
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.268 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 450.2711
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0ue9-0000900000-dbdcffe54b7591c96223
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  390.239 C21H32N3O4+ 1 390.2387 0.7
+  432.2604 C22H34N5O4+ 1 432.2605 -0.32
+  450.271 C22H36N5O5+ 1 450.2711 -0.12
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  390.239 80241.4 51
+  432.2604 1330248.6 852
+  450.271 1558904.6 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED150402.txt b/Eawag/MSBNK-EAWAG-ED150402.txt
new file mode 100644
index 0000000000..0d26dc071e
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED150402.txt
@@ -0,0 +1,48 @@
+ACCESSION: MSBNK-EAWAG-ED150402
+RECORD_TITLE: Nostosin A; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], D. Fewer [dtc], J. Jokela [dtc], M. Wahlsten [dtc], T. Shishido [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://pubs.acs.org/doi/10.1021/np500106w
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1504
+CH$NAME: Nostosin A
+CH$NAME: N-(5-guanidino-1-oxopentan-2-yl)-2-(2-hydroxy-4-(4-hydroxyphenyl)butanamido)-3-methylpentanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C22H35N5O5
+CH$EXACT_MASS: 449.2638192
+CH$SMILES: OC1=CC=C(CCC(O)C(N[C@@H]([C@H](CC)C)C(N[C@H](C2O)CCCN2C(N)=N)=O)=O)C=C1
+CH$IUPAC: InChI=1S/C22H35N5O5/c1-3-13(2)18(20(31)25-16-5-4-12-27(21(16)32)22(23)24)26-19(30)17(29)11-8-14-6-9-15(28)10-7-14/h6-7,9-10,13,16-18,21,28-29,32H,3-5,8,11-12H2,1-2H3,(H3,23,24)(H,25,31)(H,26,30)/t13-,16-,17?,18-,21?/m0/s1
+CH$LINK: PUBCHEM CID:146683699
+CH$LINK: INCHIKEY MKNWXPPWASGIJB-MBFYVNQYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-480
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.268 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 450.2711
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0f89-0000900000-fed129338e448bd11dd9
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  390.2386 C21H32N3O4+ 1 390.2387 -0.23
+  432.2605 C22H34N5O4+ 1 432.2605 -0.1
+  450.2711 C22H36N5O5+ 1 450.2711 0.08
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  390.2386 171125.7 98
+  432.2605 1741049.6 999
+  450.2711 1352408.4 776
+//
diff --git a/Eawag/MSBNK-EAWAG-ED150403.txt b/Eawag/MSBNK-EAWAG-ED150403.txt
new file mode 100644
index 0000000000..242c0f2f5a
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED150403.txt
@@ -0,0 +1,52 @@
+ACCESSION: MSBNK-EAWAG-ED150403
+RECORD_TITLE: Nostosin A; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], D. Fewer [dtc], J. Jokela [dtc], M. Wahlsten [dtc], T. Shishido [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://pubs.acs.org/doi/10.1021/np500106w
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1504
+CH$NAME: Nostosin A
+CH$NAME: N-(5-guanidino-1-oxopentan-2-yl)-2-(2-hydroxy-4-(4-hydroxyphenyl)butanamido)-3-methylpentanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C22H35N5O5
+CH$EXACT_MASS: 449.2638192
+CH$SMILES: OC1=CC=C(CCC(O)C(N[C@@H]([C@H](CC)C)C(N[C@H](C2O)CCCN2C(N)=N)=O)=O)C=C1
+CH$IUPAC: InChI=1S/C22H35N5O5/c1-3-13(2)18(20(31)25-16-5-4-12-27(21(16)32)22(23)24)26-19(30)17(29)11-8-14-6-9-15(28)10-7-14/h6-7,9-10,13,16-18,21,28-29,32H,3-5,8,11-12H2,1-2H3,(H3,23,24)(H,25,31)(H,26,30)/t13-,16-,17?,18-,21?/m0/s1
+CH$LINK: PUBCHEM CID:146683699
+CH$LINK: INCHIKEY MKNWXPPWASGIJB-MBFYVNQYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-480
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.268 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 450.2711
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0f89-0000900000-59c26c64efd3146b70c8
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  99.0916 C5H11N2+ 1 99.0917 -0.33
+  264.1588 C15H22NO3+ 2 264.1594 -2.41
+  390.2387 C21H32N3O4+ 1 390.2387 -0.08
+  432.2604 C22H34N5O4+ 1 432.2605 -0.32
+  450.2711 C22H36N5O5+ 1 450.2711 0.02
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  99.0916 145952.8 96
+  264.1588 62309.1 41
+  390.2387 204146 134
+  432.2604 1512745.1 999
+  450.2711 826373.4 545
+//
diff --git a/Eawag/MSBNK-EAWAG-ED150404.txt b/Eawag/MSBNK-EAWAG-ED150404.txt
new file mode 100644
index 0000000000..eeccbf7804
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED150404.txt
@@ -0,0 +1,54 @@
+ACCESSION: MSBNK-EAWAG-ED150404
+RECORD_TITLE: Nostosin A; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], D. Fewer [dtc], J. Jokela [dtc], M. Wahlsten [dtc], T. Shishido [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://pubs.acs.org/doi/10.1021/np500106w
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1504
+CH$NAME: Nostosin A
+CH$NAME: N-(5-guanidino-1-oxopentan-2-yl)-2-(2-hydroxy-4-(4-hydroxyphenyl)butanamido)-3-methylpentanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C22H35N5O5
+CH$EXACT_MASS: 449.2638192
+CH$SMILES: OC1=CC=C(CCC(O)C(N[C@@H]([C@H](CC)C)C(N[C@H](C2O)CCCN2C(N)=N)=O)=O)C=C1
+CH$IUPAC: InChI=1S/C22H35N5O5/c1-3-13(2)18(20(31)25-16-5-4-12-27(21(16)32)22(23)24)26-19(30)17(29)11-8-14-6-9-15(28)10-7-14/h6-7,9-10,13,16-18,21,28-29,32H,3-5,8,11-12H2,1-2H3,(H3,23,24)(H,25,31)(H,26,30)/t13-,16-,17?,18-,21?/m0/s1
+CH$LINK: PUBCHEM CID:146683699
+CH$LINK: INCHIKEY MKNWXPPWASGIJB-MBFYVNQYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-480
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.268 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 450.2711
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-001i-2010900000-b51cd5a009fc4f0b2341
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  99.0917 C5H11N2+ 1 99.0917 -0.25
+  141.1131 C6H13N4+ 1 141.1135 -2.59
+  264.1591 C15H22NO3+ 2 264.1594 -1.25
+  390.2388 C21H32N3O4+ 1 390.2387 0.08
+  432.2604 C22H34N5O4+ 1 432.2605 -0.25
+  450.271 C22H36N5O5+ 1 450.2711 -0.25
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  99.0917 445076.8 364
+  141.1131 62096.3 50
+  264.1591 230791.9 189
+  390.2388 159935.6 131
+  432.2604 1218726.6 999
+  450.271 375891.9 308
+//
diff --git a/Eawag/MSBNK-EAWAG-ED150405.txt b/Eawag/MSBNK-EAWAG-ED150405.txt
new file mode 100644
index 0000000000..01238143a3
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED150405.txt
@@ -0,0 +1,60 @@
+ACCESSION: MSBNK-EAWAG-ED150405
+RECORD_TITLE: Nostosin A; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], D. Fewer [dtc], J. Jokela [dtc], M. Wahlsten [dtc], T. Shishido [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://pubs.acs.org/doi/10.1021/np500106w
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1504
+CH$NAME: Nostosin A
+CH$NAME: N-(5-guanidino-1-oxopentan-2-yl)-2-(2-hydroxy-4-(4-hydroxyphenyl)butanamido)-3-methylpentanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C22H35N5O5
+CH$EXACT_MASS: 449.2638192
+CH$SMILES: OC1=CC=C(CCC(O)C(N[C@@H]([C@H](CC)C)C(N[C@H](C2O)CCCN2C(N)=N)=O)=O)C=C1
+CH$IUPAC: InChI=1S/C22H35N5O5/c1-3-13(2)18(20(31)25-16-5-4-12-27(21(16)32)22(23)24)26-19(30)17(29)11-8-14-6-9-15(28)10-7-14/h6-7,9-10,13,16-18,21,28-29,32H,3-5,8,11-12H2,1-2H3,(H3,23,24)(H,25,31)(H,26,30)/t13-,16-,17?,18-,21?/m0/s1
+CH$LINK: PUBCHEM CID:146683699
+CH$LINK: INCHIKEY MKNWXPPWASGIJB-MBFYVNQYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-480
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.268 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 450.2711
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-01p2-9130100000-7e74cb29301d42204c1f
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  82.0652 C5H8N+ 1 82.0651 0.92
+  86.0964 C5H12N+ 1 86.0964 -0.39
+  99.0917 C5H11N2+ 1 99.0917 -0.09
+  100.0755 C5H10NO+ 1 100.0757 -1.93
+  141.1134 C6H13N4+ 1 141.1135 -0.75
+  142.0977 C6H12N3O+ 1 142.0975 1.32
+  264.1593 C15H22NO3+ 2 264.1594 -0.56
+  432.2605 C22H34N5O4+ 1 432.2605 -0.18
+  450.2712 C22H36N5O5+ 1 450.2711 0.15
+PK$NUM_PEAK: 9
+PK$PEAK: m/z int. rel.int.
+  82.0652 44289 60
+  86.0964 429706 585
+  99.0917 733547.4 999
+  100.0755 70329.8 95
+  141.1134 136458.1 185
+  142.0977 60285.9 82
+  264.1593 489175.5 666
+  432.2605 216215.2 294
+  450.2712 25109.6 34
+//
diff --git a/Eawag/MSBNK-EAWAG-ED150406.txt b/Eawag/MSBNK-EAWAG-ED150406.txt
new file mode 100644
index 0000000000..acecae4a86
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED150406.txt
@@ -0,0 +1,62 @@
+ACCESSION: MSBNK-EAWAG-ED150406
+RECORD_TITLE: Nostosin A; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], D. Fewer [dtc], J. Jokela [dtc], M. Wahlsten [dtc], T. Shishido [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://pubs.acs.org/doi/10.1021/np500106w
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1504
+CH$NAME: Nostosin A
+CH$NAME: N-(5-guanidino-1-oxopentan-2-yl)-2-(2-hydroxy-4-(4-hydroxyphenyl)butanamido)-3-methylpentanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C22H35N5O5
+CH$EXACT_MASS: 449.2638192
+CH$SMILES: OC1=CC=C(CCC(O)C(N[C@@H]([C@H](CC)C)C(N[C@H](C2O)CCCN2C(N)=N)=O)=O)C=C1
+CH$IUPAC: InChI=1S/C22H35N5O5/c1-3-13(2)18(20(31)25-16-5-4-12-27(21(16)32)22(23)24)26-19(30)17(29)11-8-14-6-9-15(28)10-7-14/h6-7,9-10,13,16-18,21,28-29,32H,3-5,8,11-12H2,1-2H3,(H3,23,24)(H,25,31)(H,26,30)/t13-,16-,17?,18-,21?/m0/s1
+CH$LINK: PUBCHEM CID:146683699
+CH$LINK: INCHIKEY MKNWXPPWASGIJB-MBFYVNQYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-480
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.268 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 450.2711
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-000j-9110000000-ba5b230e47916da199b4
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  69.0699 C5H9+ 1 69.0699 -0.18
+  70.0652 C4H8N+ 1 70.0651 0.91
+  82.0652 C5H8N+ 1 82.0651 0.46
+  86.0964 C5H12N+ 1 86.0964 -0.03
+  98.0839 C5H10N2+ 1 98.0838 0.27
+  99.0917 C5H11N2+ 1 99.0917 0.06
+  100.0758 C5H10NO+ 1 100.0757 1.58
+  107.0494 C7H7O+ 1 107.0491 2.04
+  141.1135 C6H13N4+ 1 141.1135 0.22
+  264.1593 C15H22NO3+ 2 264.1594 -0.44
+PK$NUM_PEAK: 10
+PK$PEAK: m/z int. rel.int.
+  69.0699 32262.7 36
+  70.0652 15743 17
+  82.0652 107709.1 122
+  86.0964 877144.9 999
+  98.0839 15156.9 17
+  99.0917 498854.1 568
+  100.0758 87178.3 99
+  107.0494 50146.4 57
+  141.1135 93062.6 105
+  264.1593 177517.9 202
+//
diff --git a/Eawag/MSBNK-EAWAG-ED150407.txt b/Eawag/MSBNK-EAWAG-ED150407.txt
new file mode 100644
index 0000000000..90d3d5e74e
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED150407.txt
@@ -0,0 +1,64 @@
+ACCESSION: MSBNK-EAWAG-ED150407
+RECORD_TITLE: Nostosin A; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], D. Fewer [dtc], J. Jokela [dtc], M. Wahlsten [dtc], T. Shishido [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://pubs.acs.org/doi/10.1021/np500106w
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1504
+CH$NAME: Nostosin A
+CH$NAME: N-(5-guanidino-1-oxopentan-2-yl)-2-(2-hydroxy-4-(4-hydroxyphenyl)butanamido)-3-methylpentanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C22H35N5O5
+CH$EXACT_MASS: 449.2638192
+CH$SMILES: OC1=CC=C(CCC(O)C(N[C@@H]([C@H](CC)C)C(N[C@H](C2O)CCCN2C(N)=N)=O)=O)C=C1
+CH$IUPAC: InChI=1S/C22H35N5O5/c1-3-13(2)18(20(31)25-16-5-4-12-27(21(16)32)22(23)24)26-19(30)17(29)11-8-14-6-9-15(28)10-7-14/h6-7,9-10,13,16-18,21,28-29,32H,3-5,8,11-12H2,1-2H3,(H3,23,24)(H,25,31)(H,26,30)/t13-,16-,17?,18-,21?/m0/s1
+CH$LINK: PUBCHEM CID:146683699
+CH$LINK: INCHIKEY MKNWXPPWASGIJB-MBFYVNQYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-480
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.268 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 450.2711
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-000i-9100000000-6c9bd80173df05b832f5
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  69.0698 C5H9+ 1 69.0699 -0.95
+  70.0651 C4H8N+ 1 70.0651 -0.62
+  82.0651 C5H8N+ 1 82.0651 -0.1
+  86.0964 C5H12N+ 1 86.0964 -0.21
+  98.0841 C5H10N2+ 1 98.0838 2.06
+  99.0917 C5H11N2+ 1 99.0917 0.06
+  100.0758 C5H10NO+ 1 100.0757 1.27
+  107.0491 C7H7O+ 1 107.0491 -0.24
+  124.0869 C6H10N3+ 1 124.0869 -0.14
+  141.1134 C6H13N4+ 1 141.1135 -0.43
+  142.0975 C6H12N3O+ 1 142.0975 0.25
+PK$NUM_PEAK: 11
+PK$PEAK: m/z int. rel.int.
+  69.0698 73745.2 78
+  70.0651 17625.3 18
+  82.0651 143099.2 152
+  86.0964 940200.9 999
+  98.0841 19837.7 21
+  99.0917 327319.9 347
+  100.0758 114552.2 121
+  107.0491 91251.4 96
+  124.0869 30826.5 32
+  141.1134 58530.4 62
+  142.0975 24636.5 26
+//
diff --git a/Eawag/MSBNK-EAWAG-ED150408.txt b/Eawag/MSBNK-EAWAG-ED150408.txt
new file mode 100644
index 0000000000..3ad86fd35c
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED150408.txt
@@ -0,0 +1,62 @@
+ACCESSION: MSBNK-EAWAG-ED150408
+RECORD_TITLE: Nostosin A; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], D. Fewer [dtc], J. Jokela [dtc], M. Wahlsten [dtc], T. Shishido [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://pubs.acs.org/doi/10.1021/np500106w
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1504
+CH$NAME: Nostosin A
+CH$NAME: N-(5-guanidino-1-oxopentan-2-yl)-2-(2-hydroxy-4-(4-hydroxyphenyl)butanamido)-3-methylpentanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C22H35N5O5
+CH$EXACT_MASS: 449.2638192
+CH$SMILES: OC1=CC=C(CCC(O)C(N[C@@H]([C@H](CC)C)C(N[C@H](C2O)CCCN2C(N)=N)=O)=O)C=C1
+CH$IUPAC: InChI=1S/C22H35N5O5/c1-3-13(2)18(20(31)25-16-5-4-12-27(21(16)32)22(23)24)26-19(30)17(29)11-8-14-6-9-15(28)10-7-14/h6-7,9-10,13,16-18,21,28-29,32H,3-5,8,11-12H2,1-2H3,(H3,23,24)(H,25,31)(H,26,30)/t13-,16-,17?,18-,21?/m0/s1
+CH$LINK: PUBCHEM CID:146683699
+CH$LINK: INCHIKEY MKNWXPPWASGIJB-MBFYVNQYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-480
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.268 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 450.2711
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-000i-9100000000-54ad9dd4038abcff79c5
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  69.0698 C5H9+ 1 69.0699 -0.84
+  70.0651 C4H8N+ 1 70.0651 0.15
+  71.0602 C3H7N2+ 1 71.0604 -1.9
+  82.0651 C5H8N+ 1 82.0651 -0.1
+  86.0964 C5H12N+ 1 86.0964 -0.21
+  97.0761 C5H9N2+ 1 97.076 0.57
+  98.0839 C5H10N2+ 1 98.0838 0.35
+  99.0916 C5H11N2+ 1 99.0917 -0.4
+  100.0756 C5H10NO+ 1 100.0757 -0.56
+  107.0491 C7H7O+ 1 107.0491 -0.31
+PK$NUM_PEAK: 10
+PK$PEAK: m/z int. rel.int.
+  69.0698 151411.8 180
+  70.0651 35024 41
+  71.0602 19628.5 23
+  82.0651 206242.8 245
+  86.0964 838734.6 999
+  97.0761 19169.1 22
+  98.0839 28586.8 34
+  99.0916 214639.6 255
+  100.0756 112725.5 134
+  107.0491 146918.5 174
+//
diff --git a/Eawag/MSBNK-EAWAG-ED150409.txt b/Eawag/MSBNK-EAWAG-ED150409.txt
new file mode 100644
index 0000000000..6cb804ae06
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED150409.txt
@@ -0,0 +1,60 @@
+ACCESSION: MSBNK-EAWAG-ED150409
+RECORD_TITLE: Nostosin A; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], D. Fewer [dtc], J. Jokela [dtc], M. Wahlsten [dtc], T. Shishido [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://pubs.acs.org/doi/10.1021/np500106w
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1504
+CH$NAME: Nostosin A
+CH$NAME: N-(5-guanidino-1-oxopentan-2-yl)-2-(2-hydroxy-4-(4-hydroxyphenyl)butanamido)-3-methylpentanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C22H35N5O5
+CH$EXACT_MASS: 449.2638192
+CH$SMILES: OC1=CC=C(CCC(O)C(N[C@@H]([C@H](CC)C)C(N[C@H](C2O)CCCN2C(N)=N)=O)=O)C=C1
+CH$IUPAC: InChI=1S/C22H35N5O5/c1-3-13(2)18(20(31)25-16-5-4-12-27(21(16)32)22(23)24)26-19(30)17(29)11-8-14-6-9-15(28)10-7-14/h6-7,9-10,13,16-18,21,28-29,32H,3-5,8,11-12H2,1-2H3,(H3,23,24)(H,25,31)(H,26,30)/t13-,16-,17?,18-,21?/m0/s1
+CH$LINK: PUBCHEM CID:146683699
+CH$LINK: INCHIKEY MKNWXPPWASGIJB-MBFYVNQYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-480
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.268 min
+MS$FOCUSED_ION: BASE_PEAK 132.9581
+MS$FOCUSED_ION: PRECURSOR_M/Z 450.2711
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-000i-9200000000-1eff3c4ecb5794493971
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  69.0698 C5H9+ 1 69.0699 -0.73
+  70.0651 C4H8N+ 1 70.0651 -0.94
+  82.0651 C5H8N+ 1 82.0651 -0.1
+  86.0964 C5H12N+ 1 86.0964 -0.56
+  97.0758 C5H9N2+ 1 97.076 -2.03
+  98.0838 C5H10N2+ 1 98.0838 -0.12
+  99.0916 C5H11N2+ 1 99.0917 -0.63
+  100.0757 C5H10NO+ 1 100.0757 0.28
+  107.049 C7H7O+ 1 107.0491 -1.02
+PK$NUM_PEAK: 9
+PK$PEAK: m/z int. rel.int.
+  69.0698 168928 279
+  70.0651 37527.4 62
+  82.0651 184405.2 305
+  86.0964 603681.1 999
+  97.0758 15465.6 25
+  98.0838 17114.3 28
+  99.0916 126053.1 208
+  100.0757 100156.4 165
+  107.049 163073.4 269
+//
diff --git a/Eawag/MSBNK-EAWAG-ED169401.txt b/Eawag/MSBNK-EAWAG-ED169401.txt
new file mode 100644
index 0000000000..0c8c390548
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED169401.txt
@@ -0,0 +1,48 @@
+ACCESSION: MSBNK-EAWAG-ED169401
+RECORD_TITLE: 7-Deoxy-Cylindrospermopsin; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.3390/molecules25133027
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1694
+CH$NAME: 7-Deoxy-Cylindrospermopsin
+CH$NAME: (4R,5aS,7S,8R,8aS)-4-((2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl)-8-methyl-3,4,5,5a,6,7,8,8a-octahydro-1H-2,2a1,3-triazaacenaphthylen-7-yl hydrogen sulfate
+CH$NAME: [(4S,5R,6S,8S,10R)-10-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-5-methyl-2,11,12-triazatricyclo[6.3.1.04,12]dodec-1-en-6-yl] hydrogen sulfate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C15H21N5O6S
+CH$EXACT_MASS: 399.1212544
+CH$SMILES: C[C@H]1[C@H](C[C@@]2(C[C@@]([H])(NC3=NC[C@]1(N23)[H])CC4=CC(NC(N4)=O)=O)[H])OS(=O)(O)=O
+CH$IUPAC: InChI=1S/C15H21N5O6S/c1-7-11-6-16-14-17-8(2-9-4-13(21)19-15(22)18-9)3-10(20(11)14)5-12(7)26-27(23,24)25/h4,7-8,10-12H,2-3,5-6H2,1H3,(H,16,17)(H,23,24,25)(H2,18,19,21,22)/t7-,8+,10+,11-,12+/m1/s1
+CH$LINK: PUBCHEM CID:11280999
+CH$LINK: INCHIKEY UQRKOHUZCZBNCN-GATYQTQLSA-N
+CH$LINK: CHEMSPIDER 9455996
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-429
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 1.501 min
+MS$FOCUSED_ION: BASE_PEAK 132.9582
+MS$FOCUSED_ION: PRECURSOR_M/Z 400.1285
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0udi-0000900000-a56fa9a2e4d8169d0260
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  320.1705 C15H22N5O3+ 1 320.1717 -3.92
+  400.1282 C15H22N5O6S+ 1 400.1285 -0.79
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  320.1705 158483.4 11
+  400.1282 13916132 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED169402.txt b/Eawag/MSBNK-EAWAG-ED169402.txt
new file mode 100644
index 0000000000..bc4e7272ec
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED169402.txt
@@ -0,0 +1,52 @@
+ACCESSION: MSBNK-EAWAG-ED169402
+RECORD_TITLE: 7-Deoxy-Cylindrospermopsin; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.3390/molecules25133027
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1694
+CH$NAME: 7-Deoxy-Cylindrospermopsin
+CH$NAME: (4R,5aS,7S,8R,8aS)-4-((2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl)-8-methyl-3,4,5,5a,6,7,8,8a-octahydro-1H-2,2a1,3-triazaacenaphthylen-7-yl hydrogen sulfate
+CH$NAME: [(4S,5R,6S,8S,10R)-10-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-5-methyl-2,11,12-triazatricyclo[6.3.1.04,12]dodec-1-en-6-yl] hydrogen sulfate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C15H21N5O6S
+CH$EXACT_MASS: 399.1212544
+CH$SMILES: C[C@H]1[C@H](C[C@@]2(C[C@@]([H])(NC3=NC[C@]1(N23)[H])CC4=CC(NC(N4)=O)=O)[H])OS(=O)(O)=O
+CH$IUPAC: InChI=1S/C15H21N5O6S/c1-7-11-6-16-14-17-8(2-9-4-13(21)19-15(22)18-9)3-10(20(11)14)5-12(7)26-27(23,24)25/h4,7-8,10-12H,2-3,5-6H2,1H3,(H,16,17)(H,23,24,25)(H2,18,19,21,22)/t7-,8+,10+,11-,12+/m1/s1
+CH$LINK: PUBCHEM CID:11280999
+CH$LINK: INCHIKEY UQRKOHUZCZBNCN-GATYQTQLSA-N
+CH$LINK: CHEMSPIDER 9455996
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-429
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 1.501 min
+MS$FOCUSED_ION: BASE_PEAK 132.9582
+MS$FOCUSED_ION: PRECURSOR_M/Z 400.1285
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0udi-0000900000-c5b3077f2d755d745bb1
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  274.0852 C10H16N3O4S+ 1 274.0856 -1.63
+  302.1614 C15H20N5O2+ 1 302.1612 0.9
+  320.1717 C15H22N5O3+ 1 320.1717 0.08
+  400.1283 C15H22N5O6S+ 1 400.1285 -0.48
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  274.0852 338619 24
+  302.1614 164160.1 11
+  320.1717 837382.5 60
+  400.1283 13844835 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED169403.txt b/Eawag/MSBNK-EAWAG-ED169403.txt
new file mode 100644
index 0000000000..7d12135e85
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED169403.txt
@@ -0,0 +1,52 @@
+ACCESSION: MSBNK-EAWAG-ED169403
+RECORD_TITLE: 7-Deoxy-Cylindrospermopsin; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.3390/molecules25133027
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1694
+CH$NAME: 7-Deoxy-Cylindrospermopsin
+CH$NAME: (4R,5aS,7S,8R,8aS)-4-((2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl)-8-methyl-3,4,5,5a,6,7,8,8a-octahydro-1H-2,2a1,3-triazaacenaphthylen-7-yl hydrogen sulfate
+CH$NAME: [(4S,5R,6S,8S,10R)-10-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-5-methyl-2,11,12-triazatricyclo[6.3.1.04,12]dodec-1-en-6-yl] hydrogen sulfate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C15H21N5O6S
+CH$EXACT_MASS: 399.1212544
+CH$SMILES: C[C@H]1[C@H](C[C@@]2(C[C@@]([H])(NC3=NC[C@]1(N23)[H])CC4=CC(NC(N4)=O)=O)[H])OS(=O)(O)=O
+CH$IUPAC: InChI=1S/C15H21N5O6S/c1-7-11-6-16-14-17-8(2-9-4-13(21)19-15(22)18-9)3-10(20(11)14)5-12(7)26-27(23,24)25/h4,7-8,10-12H,2-3,5-6H2,1H3,(H,16,17)(H,23,24,25)(H2,18,19,21,22)/t7-,8+,10+,11-,12+/m1/s1
+CH$LINK: PUBCHEM CID:11280999
+CH$LINK: INCHIKEY UQRKOHUZCZBNCN-GATYQTQLSA-N
+CH$LINK: CHEMSPIDER 9455996
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-429
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 1.501 min
+MS$FOCUSED_ION: BASE_PEAK 132.9582
+MS$FOCUSED_ION: PRECURSOR_M/Z 400.1285
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0udi-0002900000-4d3c08369dced1c60b45
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  274.0854 C10H16N3O4S+ 1 274.0856 -0.85
+  302.161 C15H20N5O2+ 1 302.1612 -0.51
+  320.1717 C15H22N5O3+ 1 320.1717 -0.11
+  400.1284 C15H22N5O6S+ 1 400.1285 -0.33
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  274.0854 986021.5 101
+  302.161 573421.6 59
+  320.1717 2201779.5 226
+  400.1284 9694178 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED169404.txt b/Eawag/MSBNK-EAWAG-ED169404.txt
new file mode 100644
index 0000000000..213b01b14e
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED169404.txt
@@ -0,0 +1,56 @@
+ACCESSION: MSBNK-EAWAG-ED169404
+RECORD_TITLE: 7-Deoxy-Cylindrospermopsin; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.3390/molecules25133027
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1694
+CH$NAME: 7-Deoxy-Cylindrospermopsin
+CH$NAME: (4R,5aS,7S,8R,8aS)-4-((2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl)-8-methyl-3,4,5,5a,6,7,8,8a-octahydro-1H-2,2a1,3-triazaacenaphthylen-7-yl hydrogen sulfate
+CH$NAME: [(4S,5R,6S,8S,10R)-10-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-5-methyl-2,11,12-triazatricyclo[6.3.1.04,12]dodec-1-en-6-yl] hydrogen sulfate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C15H21N5O6S
+CH$EXACT_MASS: 399.1212544
+CH$SMILES: C[C@H]1[C@H](C[C@@]2(C[C@@]([H])(NC3=NC[C@]1(N23)[H])CC4=CC(NC(N4)=O)=O)[H])OS(=O)(O)=O
+CH$IUPAC: InChI=1S/C15H21N5O6S/c1-7-11-6-16-14-17-8(2-9-4-13(21)19-15(22)18-9)3-10(20(11)14)5-12(7)26-27(23,24)25/h4,7-8,10-12H,2-3,5-6H2,1H3,(H,16,17)(H,23,24,25)(H2,18,19,21,22)/t7-,8+,10+,11-,12+/m1/s1
+CH$LINK: PUBCHEM CID:11280999
+CH$LINK: INCHIKEY UQRKOHUZCZBNCN-GATYQTQLSA-N
+CH$LINK: CHEMSPIDER 9455996
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-429
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 1.501 min
+MS$FOCUSED_ION: BASE_PEAK 132.9582
+MS$FOCUSED_ION: PRECURSOR_M/Z 400.1285
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0uk9-0138900000-30b33c9130a0347cdcfb
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  176.1177 C2H18N5O2S+ 2 176.1176 0.59
+  194.1284 C2H20N5O3S+ 2 194.1281 1.21
+  274.0853 C10H16N3O4S+ 1 274.0856 -1.19
+  302.1609 C15H20N5O2+ 1 302.1612 -0.72
+  320.1715 C15H22N5O3+ 1 320.1717 -0.78
+  400.1283 C15H22N5O6S+ 1 400.1285 -0.56
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  176.1177 216315.6 33
+  194.1284 670573.1 103
+  274.0853 2201966 339
+  302.1609 1356935.2 209
+  320.1715 4540747.5 700
+  400.1283 6475280 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED169405.txt b/Eawag/MSBNK-EAWAG-ED169405.txt
new file mode 100644
index 0000000000..acb089f9a1
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED169405.txt
@@ -0,0 +1,56 @@
+ACCESSION: MSBNK-EAWAG-ED169405
+RECORD_TITLE: 7-Deoxy-Cylindrospermopsin; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.3390/molecules25133027
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1694
+CH$NAME: 7-Deoxy-Cylindrospermopsin
+CH$NAME: (4R,5aS,7S,8R,8aS)-4-((2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl)-8-methyl-3,4,5,5a,6,7,8,8a-octahydro-1H-2,2a1,3-triazaacenaphthylen-7-yl hydrogen sulfate
+CH$NAME: [(4S,5R,6S,8S,10R)-10-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-5-methyl-2,11,12-triazatricyclo[6.3.1.04,12]dodec-1-en-6-yl] hydrogen sulfate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C15H21N5O6S
+CH$EXACT_MASS: 399.1212544
+CH$SMILES: C[C@H]1[C@H](C[C@@]2(C[C@@]([H])(NC3=NC[C@]1(N23)[H])CC4=CC(NC(N4)=O)=O)[H])OS(=O)(O)=O
+CH$IUPAC: InChI=1S/C15H21N5O6S/c1-7-11-6-16-14-17-8(2-9-4-13(21)19-15(22)18-9)3-10(20(11)14)5-12(7)26-27(23,24)25/h4,7-8,10-12H,2-3,5-6H2,1H3,(H,16,17)(H,23,24,25)(H2,18,19,21,22)/t7-,8+,10+,11-,12+/m1/s1
+CH$LINK: PUBCHEM CID:11280999
+CH$LINK: INCHIKEY UQRKOHUZCZBNCN-GATYQTQLSA-N
+CH$LINK: CHEMSPIDER 9455996
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-429
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 1.501 min
+MS$FOCUSED_ION: BASE_PEAK 132.9582
+MS$FOCUSED_ION: PRECURSOR_M/Z 400.1285
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00dl-0839100000-1c480cc4109314b658b3
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  176.1179 C2H18N5O2S+ 2 176.1176 1.72
+  194.1283 C2H20N5O3S+ 2 194.1281 1.05
+  274.0854 C10H16N3O4S+ 1 274.0856 -0.85
+  302.1609 C15H20N5O2+ 1 302.1612 -0.82
+  320.1716 C15H22N5O3+ 1 320.1717 -0.49
+  400.1283 C15H22N5O6S+ 1 400.1285 -0.48
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  176.1179 1456823 366
+  194.1283 3863216.5 972
+  274.0854 2314301.2 582
+  302.1609 1433585 360
+  320.1716 3969397 999
+  400.1283 823214.1 207
+//
diff --git a/Eawag/MSBNK-EAWAG-ED169406.txt b/Eawag/MSBNK-EAWAG-ED169406.txt
new file mode 100644
index 0000000000..d7255d0d31
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED169406.txt
@@ -0,0 +1,56 @@
+ACCESSION: MSBNK-EAWAG-ED169406
+RECORD_TITLE: 7-Deoxy-Cylindrospermopsin; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.3390/molecules25133027
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1694
+CH$NAME: 7-Deoxy-Cylindrospermopsin
+CH$NAME: (4R,5aS,7S,8R,8aS)-4-((2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl)-8-methyl-3,4,5,5a,6,7,8,8a-octahydro-1H-2,2a1,3-triazaacenaphthylen-7-yl hydrogen sulfate
+CH$NAME: [(4S,5R,6S,8S,10R)-10-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-5-methyl-2,11,12-triazatricyclo[6.3.1.04,12]dodec-1-en-6-yl] hydrogen sulfate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C15H21N5O6S
+CH$EXACT_MASS: 399.1212544
+CH$SMILES: C[C@H]1[C@H](C[C@@]2(C[C@@]([H])(NC3=NC[C@]1(N23)[H])CC4=CC(NC(N4)=O)=O)[H])OS(=O)(O)=O
+CH$IUPAC: InChI=1S/C15H21N5O6S/c1-7-11-6-16-14-17-8(2-9-4-13(21)19-15(22)18-9)3-10(20(11)14)5-12(7)26-27(23,24)25/h4,7-8,10-12H,2-3,5-6H2,1H3,(H,16,17)(H,23,24,25)(H2,18,19,21,22)/t7-,8+,10+,11-,12+/m1/s1
+CH$LINK: PUBCHEM CID:11280999
+CH$LINK: INCHIKEY UQRKOHUZCZBNCN-GATYQTQLSA-N
+CH$LINK: CHEMSPIDER 9455996
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-429
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 1.501 min
+MS$FOCUSED_ION: BASE_PEAK 132.9582
+MS$FOCUSED_ION: PRECURSOR_M/Z 400.1285
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0006-0901000000-bb60edf1ef47098b0777
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  176.1179 C2H18N5O2S+ 2 176.1176 1.63
+  194.1283 C2H20N5O3S+ 2 194.1281 0.97
+  274.0853 C10H16N3O4S+ 1 274.0856 -0.96
+  302.1611 C15H20N5O2+ 1 302.1612 -0.31
+  303.1456 C15H19N4O3+ 1 303.1452 1.59
+  320.1716 C15H22N5O3+ 1 320.1717 -0.3
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  176.1179 3046140 389
+  194.1283 7821306.5 999
+  274.0853 995228.6 127
+  302.1611 552520.4 70
+  303.1456 145588.8 18
+  320.1716 1298198.4 165
+//
diff --git a/Eawag/MSBNK-EAWAG-ED169407.txt b/Eawag/MSBNK-EAWAG-ED169407.txt
new file mode 100644
index 0000000000..78aa76bab3
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED169407.txt
@@ -0,0 +1,54 @@
+ACCESSION: MSBNK-EAWAG-ED169407
+RECORD_TITLE: 7-Deoxy-Cylindrospermopsin; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.3390/molecules25133027
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1694
+CH$NAME: 7-Deoxy-Cylindrospermopsin
+CH$NAME: (4R,5aS,7S,8R,8aS)-4-((2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl)-8-methyl-3,4,5,5a,6,7,8,8a-octahydro-1H-2,2a1,3-triazaacenaphthylen-7-yl hydrogen sulfate
+CH$NAME: [(4S,5R,6S,8S,10R)-10-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-5-methyl-2,11,12-triazatricyclo[6.3.1.04,12]dodec-1-en-6-yl] hydrogen sulfate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C15H21N5O6S
+CH$EXACT_MASS: 399.1212544
+CH$SMILES: C[C@H]1[C@H](C[C@@]2(C[C@@]([H])(NC3=NC[C@]1(N23)[H])CC4=CC(NC(N4)=O)=O)[H])OS(=O)(O)=O
+CH$IUPAC: InChI=1S/C15H21N5O6S/c1-7-11-6-16-14-17-8(2-9-4-13(21)19-15(22)18-9)3-10(20(11)14)5-12(7)26-27(23,24)25/h4,7-8,10-12H,2-3,5-6H2,1H3,(H,16,17)(H,23,24,25)(H2,18,19,21,22)/t7-,8+,10+,11-,12+/m1/s1
+CH$LINK: PUBCHEM CID:11280999
+CH$LINK: INCHIKEY UQRKOHUZCZBNCN-GATYQTQLSA-N
+CH$LINK: CHEMSPIDER 9455996
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-429
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 1.501 min
+MS$FOCUSED_ION: BASE_PEAK 132.9582
+MS$FOCUSED_ION: PRECURSOR_M/Z 400.1285
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0006-0900000000-cc3c0ad947130ae4c4c3
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  136.0869 C7H10N3+ 1 136.0869 -0.54
+  176.1179 C2H18N5O2S+ 2 176.1176 1.72
+  194.1283 C2H20N5O3S+ 2 194.1281 1.05
+  274.0856 C10H16N3O4S+ 2 274.0856 0.15
+  303.1455 C15H19N4O3+ 1 303.1452 1.19
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  136.0869 156679.2 17
+  176.1179 3694939.8 420
+  194.1283 8779210 999
+  274.0856 212766.4 24
+  303.1455 133793.1 15
+//
diff --git a/Eawag/MSBNK-EAWAG-ED169408.txt b/Eawag/MSBNK-EAWAG-ED169408.txt
new file mode 100644
index 0000000000..aa033b1ec3
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED169408.txt
@@ -0,0 +1,60 @@
+ACCESSION: MSBNK-EAWAG-ED169408
+RECORD_TITLE: 7-Deoxy-Cylindrospermopsin; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.3390/molecules25133027
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1694
+CH$NAME: 7-Deoxy-Cylindrospermopsin
+CH$NAME: (4R,5aS,7S,8R,8aS)-4-((2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl)-8-methyl-3,4,5,5a,6,7,8,8a-octahydro-1H-2,2a1,3-triazaacenaphthylen-7-yl hydrogen sulfate
+CH$NAME: [(4S,5R,6S,8S,10R)-10-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-5-methyl-2,11,12-triazatricyclo[6.3.1.04,12]dodec-1-en-6-yl] hydrogen sulfate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C15H21N5O6S
+CH$EXACT_MASS: 399.1212544
+CH$SMILES: C[C@H]1[C@H](C[C@@]2(C[C@@]([H])(NC3=NC[C@]1(N23)[H])CC4=CC(NC(N4)=O)=O)[H])OS(=O)(O)=O
+CH$IUPAC: InChI=1S/C15H21N5O6S/c1-7-11-6-16-14-17-8(2-9-4-13(21)19-15(22)18-9)3-10(20(11)14)5-12(7)26-27(23,24)25/h4,7-8,10-12H,2-3,5-6H2,1H3,(H,16,17)(H,23,24,25)(H2,18,19,21,22)/t7-,8+,10+,11-,12+/m1/s1
+CH$LINK: PUBCHEM CID:11280999
+CH$LINK: INCHIKEY UQRKOHUZCZBNCN-GATYQTQLSA-N
+CH$LINK: CHEMSPIDER 9455996
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-429
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 1.501 min
+MS$FOCUSED_ION: BASE_PEAK 132.9582
+MS$FOCUSED_ION: PRECURSOR_M/Z 400.1285
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0006-0900000000-98b672a6077e49668ffc
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  80.0494 C5H6N+ 1 80.0495 -0.84
+  84.0557 C3H6N3+ 1 84.0556 0.32
+  94.0652 C6H8N+ 1 94.0651 1.29
+  108.0809 C7H10N+ 1 108.0808 0.87
+  136.0869 C7H10N3+ 1 136.0869 -0.43
+  159.0914 C10H11N2+ 2 159.0917 -1.73
+  176.1178 C2H18N5O2S+ 2 176.1176 1.37
+  194.1283 C2H20N5O3S+ 2 194.1281 0.74
+PK$NUM_PEAK: 8
+PK$PEAK: m/z int. rel.int.
+  80.0494 81079.4 11
+  84.0557 78336 11
+  94.0652 132015.9 19
+  108.0809 142805.2 20
+  136.0869 476629 69
+  159.0914 234866.5 34
+  176.1178 3096952 449
+  194.1283 6888749 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED169409.txt b/Eawag/MSBNK-EAWAG-ED169409.txt
new file mode 100644
index 0000000000..28dc42b1a1
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED169409.txt
@@ -0,0 +1,60 @@
+ACCESSION: MSBNK-EAWAG-ED169409
+RECORD_TITLE: 7-Deoxy-Cylindrospermopsin; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.3390/molecules25133027
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1694
+CH$NAME: 7-Deoxy-Cylindrospermopsin
+CH$NAME: (4R,5aS,7S,8R,8aS)-4-((2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl)-8-methyl-3,4,5,5a,6,7,8,8a-octahydro-1H-2,2a1,3-triazaacenaphthylen-7-yl hydrogen sulfate
+CH$NAME: [(4S,5R,6S,8S,10R)-10-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-5-methyl-2,11,12-triazatricyclo[6.3.1.04,12]dodec-1-en-6-yl] hydrogen sulfate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C15H21N5O6S
+CH$EXACT_MASS: 399.1212544
+CH$SMILES: C[C@H]1[C@H](C[C@@]2(C[C@@]([H])(NC3=NC[C@]1(N23)[H])CC4=CC(NC(N4)=O)=O)[H])OS(=O)(O)=O
+CH$IUPAC: InChI=1S/C15H21N5O6S/c1-7-11-6-16-14-17-8(2-9-4-13(21)19-15(22)18-9)3-10(20(11)14)5-12(7)26-27(23,24)25/h4,7-8,10-12H,2-3,5-6H2,1H3,(H,16,17)(H,23,24,25)(H2,18,19,21,22)/t7-,8+,10+,11-,12+/m1/s1
+CH$LINK: PUBCHEM CID:11280999
+CH$LINK: INCHIKEY UQRKOHUZCZBNCN-GATYQTQLSA-N
+CH$LINK: CHEMSPIDER 9455996
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-429
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 1.501 min
+MS$FOCUSED_ION: BASE_PEAK 132.9582
+MS$FOCUSED_ION: PRECURSOR_M/Z 400.1285
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-002f-0900000000-255d3433d84ccb393d14
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  80.0496 C5H6N+ 1 80.0495 1.16
+  84.0557 C3H6N3+ 1 84.0556 0.32
+  94.0651 C6H8N+ 1 94.0651 0.23
+  108.0808 C7H10N+ 1 108.0808 0.51
+  136.0869 C7H10N3+ 1 136.0869 -0.32
+  159.0915 C10H11N2+ 2 159.0917 -1.25
+  176.1179 C2H18N5O2S+ 2 176.1176 1.63
+  194.1283 C2H20N5O3S+ 2 194.1281 1.05
+PK$NUM_PEAK: 8
+PK$PEAK: m/z int. rel.int.
+  80.0496 197113 34
+  84.0557 136585 23
+  94.0651 329363 57
+  108.0808 351057.6 61
+  136.0869 1111195.9 194
+  159.0915 429776.3 75
+  176.1179 3163669.5 554
+  194.1283 5696619.5 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED169451.txt b/Eawag/MSBNK-EAWAG-ED169451.txt
new file mode 100644
index 0000000000..aa7dc1b627
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED169451.txt
@@ -0,0 +1,46 @@
+ACCESSION: MSBNK-EAWAG-ED169451
+RECORD_TITLE: 7-Deoxy-Cylindrospermopsin; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.3390/molecules25133027
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1694
+CH$NAME: 7-Deoxy-Cylindrospermopsin
+CH$NAME: (4R,5aS,7S,8R,8aS)-4-((2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl)-8-methyl-3,4,5,5a,6,7,8,8a-octahydro-1H-2,2a1,3-triazaacenaphthylen-7-yl hydrogen sulfate
+CH$NAME: [(4S,5R,6S,8S,10R)-10-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-5-methyl-2,11,12-triazatricyclo[6.3.1.04,12]dodec-1-en-6-yl] hydrogen sulfate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C15H21N5O6S
+CH$EXACT_MASS: 399.1212544
+CH$SMILES: C[C@H]1[C@H](C[C@@]2(C[C@@]([H])(NC3=NC[C@]1(N23)[H])CC4=CC(NC(N4)=O)=O)[H])OS(=O)(O)=O
+CH$IUPAC: InChI=1S/C15H21N5O6S/c1-7-11-6-16-14-17-8(2-9-4-13(21)19-15(22)18-9)3-10(20(11)14)5-12(7)26-27(23,24)25/h4,7-8,10-12H,2-3,5-6H2,1H3,(H,16,17)(H,23,24,25)(H2,18,19,21,22)/t7-,8+,10+,11-,12+/m1/s1
+CH$LINK: PUBCHEM CID:11280999
+CH$LINK: INCHIKEY UQRKOHUZCZBNCN-GATYQTQLSA-N
+CH$LINK: CHEMSPIDER 9455996
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-427
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 1.514 min
+MS$FOCUSED_ION: BASE_PEAK 398.1138
+MS$FOCUSED_ION: PRECURSOR_M/Z 398.114
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0002-0009000000-ec142aa959488621f42b
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  398.1138 C15H20N5O6S- 1 398.114 -0.45
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  398.1138 26913548 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED169452.txt b/Eawag/MSBNK-EAWAG-ED169452.txt
new file mode 100644
index 0000000000..af5bc3bc32
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED169452.txt
@@ -0,0 +1,48 @@
+ACCESSION: MSBNK-EAWAG-ED169452
+RECORD_TITLE: 7-Deoxy-Cylindrospermopsin; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.3390/molecules25133027
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1694
+CH$NAME: 7-Deoxy-Cylindrospermopsin
+CH$NAME: (4R,5aS,7S,8R,8aS)-4-((2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl)-8-methyl-3,4,5,5a,6,7,8,8a-octahydro-1H-2,2a1,3-triazaacenaphthylen-7-yl hydrogen sulfate
+CH$NAME: [(4S,5R,6S,8S,10R)-10-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-5-methyl-2,11,12-triazatricyclo[6.3.1.04,12]dodec-1-en-6-yl] hydrogen sulfate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C15H21N5O6S
+CH$EXACT_MASS: 399.1212544
+CH$SMILES: C[C@H]1[C@H](C[C@@]2(C[C@@]([H])(NC3=NC[C@]1(N23)[H])CC4=CC(NC(N4)=O)=O)[H])OS(=O)(O)=O
+CH$IUPAC: InChI=1S/C15H21N5O6S/c1-7-11-6-16-14-17-8(2-9-4-13(21)19-15(22)18-9)3-10(20(11)14)5-12(7)26-27(23,24)25/h4,7-8,10-12H,2-3,5-6H2,1H3,(H,16,17)(H,23,24,25)(H2,18,19,21,22)/t7-,8+,10+,11-,12+/m1/s1
+CH$LINK: PUBCHEM CID:11280999
+CH$LINK: INCHIKEY UQRKOHUZCZBNCN-GATYQTQLSA-N
+CH$LINK: CHEMSPIDER 9455996
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-427
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 1.514 min
+MS$FOCUSED_ION: BASE_PEAK 398.1138
+MS$FOCUSED_ION: PRECURSOR_M/Z 398.114
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0002-0009000000-f374f073675f5ee1488b
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  272.0705 C10H14N3O4S- 1 272.0711 -1.95
+  398.1138 C15H20N5O6S- 1 398.114 -0.52
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  272.0705 1112360 44
+  398.1138 24896532 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED169453.txt b/Eawag/MSBNK-EAWAG-ED169453.txt
new file mode 100644
index 0000000000..f5623c4825
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED169453.txt
@@ -0,0 +1,52 @@
+ACCESSION: MSBNK-EAWAG-ED169453
+RECORD_TITLE: 7-Deoxy-Cylindrospermopsin; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.3390/molecules25133027
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1694
+CH$NAME: 7-Deoxy-Cylindrospermopsin
+CH$NAME: (4R,5aS,7S,8R,8aS)-4-((2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl)-8-methyl-3,4,5,5a,6,7,8,8a-octahydro-1H-2,2a1,3-triazaacenaphthylen-7-yl hydrogen sulfate
+CH$NAME: [(4S,5R,6S,8S,10R)-10-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-5-methyl-2,11,12-triazatricyclo[6.3.1.04,12]dodec-1-en-6-yl] hydrogen sulfate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C15H21N5O6S
+CH$EXACT_MASS: 399.1212544
+CH$SMILES: C[C@H]1[C@H](C[C@@]2(C[C@@]([H])(NC3=NC[C@]1(N23)[H])CC4=CC(NC(N4)=O)=O)[H])OS(=O)(O)=O
+CH$IUPAC: InChI=1S/C15H21N5O6S/c1-7-11-6-16-14-17-8(2-9-4-13(21)19-15(22)18-9)3-10(20(11)14)5-12(7)26-27(23,24)25/h4,7-8,10-12H,2-3,5-6H2,1H3,(H,16,17)(H,23,24,25)(H2,18,19,21,22)/t7-,8+,10+,11-,12+/m1/s1
+CH$LINK: PUBCHEM CID:11280999
+CH$LINK: INCHIKEY UQRKOHUZCZBNCN-GATYQTQLSA-N
+CH$LINK: CHEMSPIDER 9455996
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-427
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 1.514 min
+MS$FOCUSED_ION: BASE_PEAK 398.1138
+MS$FOCUSED_ION: PRECURSOR_M/Z 398.114
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0002-0019000000-30b04a3645b45bb92f17
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  96.9601 HO4S- 1 96.9601 -0.27
+  272.0705 C10H14N3O4S- 1 272.0711 -2.06
+  355.1079 C14H19N4O5S- 1 355.1082 -0.73
+  398.1137 C15H20N5O6S- 1 398.114 -0.6
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  96.9601 326882 13
+  272.0705 4663406.5 197
+  355.1079 366102.7 15
+  398.1137 23569270 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED169454.txt b/Eawag/MSBNK-EAWAG-ED169454.txt
new file mode 100644
index 0000000000..a2f0a9478c
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED169454.txt
@@ -0,0 +1,52 @@
+ACCESSION: MSBNK-EAWAG-ED169454
+RECORD_TITLE: 7-Deoxy-Cylindrospermopsin; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.3390/molecules25133027
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1694
+CH$NAME: 7-Deoxy-Cylindrospermopsin
+CH$NAME: (4R,5aS,7S,8R,8aS)-4-((2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl)-8-methyl-3,4,5,5a,6,7,8,8a-octahydro-1H-2,2a1,3-triazaacenaphthylen-7-yl hydrogen sulfate
+CH$NAME: [(4S,5R,6S,8S,10R)-10-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-5-methyl-2,11,12-triazatricyclo[6.3.1.04,12]dodec-1-en-6-yl] hydrogen sulfate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C15H21N5O6S
+CH$EXACT_MASS: 399.1212544
+CH$SMILES: C[C@H]1[C@H](C[C@@]2(C[C@@]([H])(NC3=NC[C@]1(N23)[H])CC4=CC(NC(N4)=O)=O)[H])OS(=O)(O)=O
+CH$IUPAC: InChI=1S/C15H21N5O6S/c1-7-11-6-16-14-17-8(2-9-4-13(21)19-15(22)18-9)3-10(20(11)14)5-12(7)26-27(23,24)25/h4,7-8,10-12H,2-3,5-6H2,1H3,(H,16,17)(H,23,24,25)(H2,18,19,21,22)/t7-,8+,10+,11-,12+/m1/s1
+CH$LINK: PUBCHEM CID:11280999
+CH$LINK: INCHIKEY UQRKOHUZCZBNCN-GATYQTQLSA-N
+CH$LINK: CHEMSPIDER 9455996
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-427
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 1.514 min
+MS$FOCUSED_ION: BASE_PEAK 398.1138
+MS$FOCUSED_ION: PRECURSOR_M/Z 398.114
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-006t-0059000000-3777c67982508b427e86
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  96.96 HO4S- 1 96.9601 -1.29
+  272.0705 C10H14N3O4S- 1 272.0711 -2.17
+  355.1078 C14H19N4O5S- 1 355.1082 -1.07
+  398.1137 C15H20N5O6S- 1 398.114 -0.75
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  96.96 1050467.4 70
+  272.0705 9876763 664
+  355.1078 826423 55
+  398.1137 14841849 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED169455.txt b/Eawag/MSBNK-EAWAG-ED169455.txt
new file mode 100644
index 0000000000..065409c08a
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED169455.txt
@@ -0,0 +1,54 @@
+ACCESSION: MSBNK-EAWAG-ED169455
+RECORD_TITLE: 7-Deoxy-Cylindrospermopsin; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.3390/molecules25133027
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1694
+CH$NAME: 7-Deoxy-Cylindrospermopsin
+CH$NAME: (4R,5aS,7S,8R,8aS)-4-((2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl)-8-methyl-3,4,5,5a,6,7,8,8a-octahydro-1H-2,2a1,3-triazaacenaphthylen-7-yl hydrogen sulfate
+CH$NAME: [(4S,5R,6S,8S,10R)-10-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-5-methyl-2,11,12-triazatricyclo[6.3.1.04,12]dodec-1-en-6-yl] hydrogen sulfate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C15H21N5O6S
+CH$EXACT_MASS: 399.1212544
+CH$SMILES: C[C@H]1[C@H](C[C@@]2(C[C@@]([H])(NC3=NC[C@]1(N23)[H])CC4=CC(NC(N4)=O)=O)[H])OS(=O)(O)=O
+CH$IUPAC: InChI=1S/C15H21N5O6S/c1-7-11-6-16-14-17-8(2-9-4-13(21)19-15(22)18-9)3-10(20(11)14)5-12(7)26-27(23,24)25/h4,7-8,10-12H,2-3,5-6H2,1H3,(H,16,17)(H,23,24,25)(H2,18,19,21,22)/t7-,8+,10+,11-,12+/m1/s1
+CH$LINK: PUBCHEM CID:11280999
+CH$LINK: INCHIKEY UQRKOHUZCZBNCN-GATYQTQLSA-N
+CH$LINK: CHEMSPIDER 9455996
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-427
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 1.514 min
+MS$FOCUSED_ION: BASE_PEAK 398.1138
+MS$FOCUSED_ION: PRECURSOR_M/Z 398.114
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00di-1092000000-78f011f982d88e80ddd9
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  96.96 HO4S- 1 96.9601 -0.97
+  125.0358 C5H5N2O2- 1 125.0357 1.28
+  272.0705 C10H14N3O4S- 1 272.0711 -1.95
+  355.1079 C14H19N4O5S- 1 355.1082 -0.64
+  398.1137 C15H20N5O6S- 1 398.114 -0.6
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  96.96 3348365 206
+  125.0358 170962.4 10
+  272.0705 16180620 999
+  355.1079 1508125.8 93
+  398.1137 3060902.8 188
+//
diff --git a/Eawag/MSBNK-EAWAG-ED169456.txt b/Eawag/MSBNK-EAWAG-ED169456.txt
new file mode 100644
index 0000000000..7cb42e8243
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED169456.txt
@@ -0,0 +1,56 @@
+ACCESSION: MSBNK-EAWAG-ED169456
+RECORD_TITLE: 7-Deoxy-Cylindrospermopsin; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.3390/molecules25133027
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1694
+CH$NAME: 7-Deoxy-Cylindrospermopsin
+CH$NAME: (4R,5aS,7S,8R,8aS)-4-((2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl)-8-methyl-3,4,5,5a,6,7,8,8a-octahydro-1H-2,2a1,3-triazaacenaphthylen-7-yl hydrogen sulfate
+CH$NAME: [(4S,5R,6S,8S,10R)-10-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-5-methyl-2,11,12-triazatricyclo[6.3.1.04,12]dodec-1-en-6-yl] hydrogen sulfate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C15H21N5O6S
+CH$EXACT_MASS: 399.1212544
+CH$SMILES: C[C@H]1[C@H](C[C@@]2(C[C@@]([H])(NC3=NC[C@]1(N23)[H])CC4=CC(NC(N4)=O)=O)[H])OS(=O)(O)=O
+CH$IUPAC: InChI=1S/C15H21N5O6S/c1-7-11-6-16-14-17-8(2-9-4-13(21)19-15(22)18-9)3-10(20(11)14)5-12(7)26-27(23,24)25/h4,7-8,10-12H,2-3,5-6H2,1H3,(H,16,17)(H,23,24,25)(H2,18,19,21,22)/t7-,8+,10+,11-,12+/m1/s1
+CH$LINK: PUBCHEM CID:11280999
+CH$LINK: INCHIKEY UQRKOHUZCZBNCN-GATYQTQLSA-N
+CH$LINK: CHEMSPIDER 9455996
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-427
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 1.514 min
+MS$FOCUSED_ION: BASE_PEAK 398.1138
+MS$FOCUSED_ION: PRECURSOR_M/Z 398.114
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00dj-5090000000-25391856670baff539a0
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  96.96 HO4S- 1 96.9601 -0.9
+  125.0355 C5H5N2O2- 1 125.0357 -1.59
+  272.0705 C10H14N3O4S- 1 272.0711 -1.95
+  311.0811 C12H15N4O4S- 1 311.0819 -2.74
+  355.1078 C14H19N4O5S- 1 355.1082 -0.99
+  398.1139 C15H20N5O6S- 1 398.114 -0.14
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  96.96 8045346.5 633
+  125.0355 483736.3 38
+  272.0705 12686023 999
+  311.0811 189247.1 14
+  355.1078 924494.6 72
+  398.1139 253750.1 19
+//
diff --git a/Eawag/MSBNK-EAWAG-ED169457.txt b/Eawag/MSBNK-EAWAG-ED169457.txt
new file mode 100644
index 0000000000..f3271d6f6a
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED169457.txt
@@ -0,0 +1,54 @@
+ACCESSION: MSBNK-EAWAG-ED169457
+RECORD_TITLE: 7-Deoxy-Cylindrospermopsin; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.3390/molecules25133027
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1694
+CH$NAME: 7-Deoxy-Cylindrospermopsin
+CH$NAME: (4R,5aS,7S,8R,8aS)-4-((2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl)-8-methyl-3,4,5,5a,6,7,8,8a-octahydro-1H-2,2a1,3-triazaacenaphthylen-7-yl hydrogen sulfate
+CH$NAME: [(4S,5R,6S,8S,10R)-10-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-5-methyl-2,11,12-triazatricyclo[6.3.1.04,12]dodec-1-en-6-yl] hydrogen sulfate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C15H21N5O6S
+CH$EXACT_MASS: 399.1212544
+CH$SMILES: C[C@H]1[C@H](C[C@@]2(C[C@@]([H])(NC3=NC[C@]1(N23)[H])CC4=CC(NC(N4)=O)=O)[H])OS(=O)(O)=O
+CH$IUPAC: InChI=1S/C15H21N5O6S/c1-7-11-6-16-14-17-8(2-9-4-13(21)19-15(22)18-9)3-10(20(11)14)5-12(7)26-27(23,24)25/h4,7-8,10-12H,2-3,5-6H2,1H3,(H,16,17)(H,23,24,25)(H2,18,19,21,22)/t7-,8+,10+,11-,12+/m1/s1
+CH$LINK: PUBCHEM CID:11280999
+CH$LINK: INCHIKEY UQRKOHUZCZBNCN-GATYQTQLSA-N
+CH$LINK: CHEMSPIDER 9455996
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-427
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 1.514 min
+MS$FOCUSED_ION: BASE_PEAK 398.1138
+MS$FOCUSED_ION: PRECURSOR_M/Z 398.114
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0002-9040000000-dd29ec758c80b2c16edd
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  96.96 HO4S- 1 96.9601 -0.9
+  125.0354 C5H5N2O2- 1 125.0357 -1.89
+  272.0705 C10H14N3O4S- 1 272.0711 -1.95
+  311.0814 C12H15N4O4S- 1 311.0819 -1.66
+  355.1082 C14H19N4O5S- 1 355.1082 0.05
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  96.96 11959557 999
+  125.0354 559180.8 46
+  272.0705 5418511.5 452
+  311.0814 173123 14
+  355.1082 208163.6 17
+//
diff --git a/Eawag/MSBNK-EAWAG-ED169458.txt b/Eawag/MSBNK-EAWAG-ED169458.txt
new file mode 100644
index 0000000000..a0e8952feb
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED169458.txt
@@ -0,0 +1,52 @@
+ACCESSION: MSBNK-EAWAG-ED169458
+RECORD_TITLE: 7-Deoxy-Cylindrospermopsin; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.3390/molecules25133027
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1694
+CH$NAME: 7-Deoxy-Cylindrospermopsin
+CH$NAME: (4R,5aS,7S,8R,8aS)-4-((2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl)-8-methyl-3,4,5,5a,6,7,8,8a-octahydro-1H-2,2a1,3-triazaacenaphthylen-7-yl hydrogen sulfate
+CH$NAME: [(4S,5R,6S,8S,10R)-10-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-5-methyl-2,11,12-triazatricyclo[6.3.1.04,12]dodec-1-en-6-yl] hydrogen sulfate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C15H21N5O6S
+CH$EXACT_MASS: 399.1212544
+CH$SMILES: C[C@H]1[C@H](C[C@@]2(C[C@@]([H])(NC3=NC[C@]1(N23)[H])CC4=CC(NC(N4)=O)=O)[H])OS(=O)(O)=O
+CH$IUPAC: InChI=1S/C15H21N5O6S/c1-7-11-6-16-14-17-8(2-9-4-13(21)19-15(22)18-9)3-10(20(11)14)5-12(7)26-27(23,24)25/h4,7-8,10-12H,2-3,5-6H2,1H3,(H,16,17)(H,23,24,25)(H2,18,19,21,22)/t7-,8+,10+,11-,12+/m1/s1
+CH$LINK: PUBCHEM CID:11280999
+CH$LINK: INCHIKEY UQRKOHUZCZBNCN-GATYQTQLSA-N
+CH$LINK: CHEMSPIDER 9455996
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-427
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 1.514 min
+MS$FOCUSED_ION: BASE_PEAK 398.1138
+MS$FOCUSED_ION: PRECURSOR_M/Z 398.114
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0002-9010000000-0c82233344a3a4635f90
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  79.9573 O3S- 1 79.9574 -1.37
+  96.96 HO4S- 1 96.9601 -1.13
+  125.0355 C5H5N2O2- 1 125.0357 -1.52
+  272.0704 C10H14N3O4S- 1 272.0711 -2.28
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  79.9573 163542.9 10
+  96.96 16135812 999
+  125.0355 524503.8 32
+  272.0704 1826686.9 113
+//
diff --git a/Eawag/MSBNK-EAWAG-ED169459.txt b/Eawag/MSBNK-EAWAG-ED169459.txt
new file mode 100644
index 0000000000..2224c43c04
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED169459.txt
@@ -0,0 +1,52 @@
+ACCESSION: MSBNK-EAWAG-ED169459
+RECORD_TITLE: 7-Deoxy-Cylindrospermopsin; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.3390/molecules25133027
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1694
+CH$NAME: 7-Deoxy-Cylindrospermopsin
+CH$NAME: (4R,5aS,7S,8R,8aS)-4-((2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl)-8-methyl-3,4,5,5a,6,7,8,8a-octahydro-1H-2,2a1,3-triazaacenaphthylen-7-yl hydrogen sulfate
+CH$NAME: [(4S,5R,6S,8S,10R)-10-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-5-methyl-2,11,12-triazatricyclo[6.3.1.04,12]dodec-1-en-6-yl] hydrogen sulfate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C15H21N5O6S
+CH$EXACT_MASS: 399.1212544
+CH$SMILES: C[C@H]1[C@H](C[C@@]2(C[C@@]([H])(NC3=NC[C@]1(N23)[H])CC4=CC(NC(N4)=O)=O)[H])OS(=O)(O)=O
+CH$IUPAC: InChI=1S/C15H21N5O6S/c1-7-11-6-16-14-17-8(2-9-4-13(21)19-15(22)18-9)3-10(20(11)14)5-12(7)26-27(23,24)25/h4,7-8,10-12H,2-3,5-6H2,1H3,(H,16,17)(H,23,24,25)(H2,18,19,21,22)/t7-,8+,10+,11-,12+/m1/s1
+CH$LINK: PUBCHEM CID:11280999
+CH$LINK: INCHIKEY UQRKOHUZCZBNCN-GATYQTQLSA-N
+CH$LINK: CHEMSPIDER 9455996
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-427
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 1.514 min
+MS$FOCUSED_ION: BASE_PEAK 398.1138
+MS$FOCUSED_ION: PRECURSOR_M/Z 398.114
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0002-9000000000-14c1460019c5415c4bc4
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  79.9573 O3S- 1 79.9574 -0.61
+  96.96 HO4S- 1 96.9601 -0.66
+  125.0354 C5H5N2O2- 1 125.0357 -2.01
+  272.0703 C10H14N3O4S- 2 272.0711 -2.62
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  79.9573 277923 17
+  96.96 15792267 999
+  125.0354 347925.8 22
+  272.0703 529714.9 33
+//
diff --git a/Eawag/MSBNK-EAWAG-ED180001.txt b/Eawag/MSBNK-EAWAG-ED180001.txt
new file mode 100644
index 0000000000..1944de32eb
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED180001.txt
@@ -0,0 +1,45 @@
+ACCESSION: MSBNK-EAWAG-ED180001
+RECORD_TITLE: MC-FR; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], A. Ballot [dtc], A. Dax [com] * Tentative, please confirm before release
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1800
+CH$NAME: MC-FR
+CH$NAME: Microcystin FR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-8-benzyl-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H72N10O12
+CH$EXACT_MASS: 1028.533118
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C52H72N10O12/c1-29(26-30(2)41(74-8)28-36-18-13-10-14-19-36)21-22-37-31(3)44(64)59-39(50(70)71)23-24-42(63)62(7)34(6)47(67)56-33(5)46(66)60-40(27-35-16-11-9-12-17-35)49(69)61-43(51(72)73)32(4)45(65)58-38(48(68)57-37)20-15-25-55-52(53)54/h9-14,16-19,21-22,26,30-33,37-41,43H,6,15,20,23-25,27-28H2,1-5,7-8H3,(H,56,67)(H,57,68)(H,58,65)(H,59,64)(H,60,66)(H,61,69)(H,70,71)(H,72,73)(H4,53,54,55)/b22-21+,29-26+/t30-,31-,32-,33+,37-,38-,39+,40-,41-,43+/m0/s1
+CH$LINK: PUBCHEM CID:101619974
+CH$LINK: INCHIKEY NCIZAPYSXYPFOU-POWPIGGBSA-N
+CH$LINK: CHEMSPIDER 78442442
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 107-1071
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 15.482 min
+MS$FOCUSED_ION: BASE_PEAK 230.2468
+MS$FOCUSED_ION: PRECURSOR_M/Z 1029.5404
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-004i-9000000000-4ecdf982b6f807d09ef1
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  1029.5398 C52H73N10O12+ 1 1029.5404 -0.56
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  1029.5398 6173194 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED180002.txt b/Eawag/MSBNK-EAWAG-ED180002.txt
new file mode 100644
index 0000000000..0d2bf3bea7
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED180002.txt
@@ -0,0 +1,45 @@
+ACCESSION: MSBNK-EAWAG-ED180002
+RECORD_TITLE: MC-FR; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], A. Ballot [dtc], A. Dax [com] * Tentative, please confirm before release
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1800
+CH$NAME: MC-FR
+CH$NAME: Microcystin FR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-8-benzyl-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H72N10O12
+CH$EXACT_MASS: 1028.533118
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C52H72N10O12/c1-29(26-30(2)41(74-8)28-36-18-13-10-14-19-36)21-22-37-31(3)44(64)59-39(50(70)71)23-24-42(63)62(7)34(6)47(67)56-33(5)46(66)60-40(27-35-16-11-9-12-17-35)49(69)61-43(51(72)73)32(4)45(65)58-38(48(68)57-37)20-15-25-55-52(53)54/h9-14,16-19,21-22,26,30-33,37-41,43H,6,15,20,23-25,27-28H2,1-5,7-8H3,(H,56,67)(H,57,68)(H,58,65)(H,59,64)(H,60,66)(H,61,69)(H,70,71)(H,72,73)(H4,53,54,55)/b22-21+,29-26+/t30-,31-,32-,33+,37-,38-,39+,40-,41-,43+/m0/s1
+CH$LINK: PUBCHEM CID:101619974
+CH$LINK: INCHIKEY NCIZAPYSXYPFOU-POWPIGGBSA-N
+CH$LINK: CHEMSPIDER 78442442
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 107-1071
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 15.482 min
+MS$FOCUSED_ION: BASE_PEAK 230.2468
+MS$FOCUSED_ION: PRECURSOR_M/Z 1029.5404
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-004i-9000000000-4f229c66289d17358fc5
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  1029.5402 C52H73N10O12+ 1 1029.5404 -0.2
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  1029.5402 5635848 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED180003.txt b/Eawag/MSBNK-EAWAG-ED180003.txt
new file mode 100644
index 0000000000..c57a7d822b
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED180003.txt
@@ -0,0 +1,45 @@
+ACCESSION: MSBNK-EAWAG-ED180003
+RECORD_TITLE: MC-FR; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], A. Ballot [dtc], A. Dax [com] * Tentative, please confirm before release
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1800
+CH$NAME: MC-FR
+CH$NAME: Microcystin FR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-8-benzyl-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H72N10O12
+CH$EXACT_MASS: 1028.533118
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C52H72N10O12/c1-29(26-30(2)41(74-8)28-36-18-13-10-14-19-36)21-22-37-31(3)44(64)59-39(50(70)71)23-24-42(63)62(7)34(6)47(67)56-33(5)46(66)60-40(27-35-16-11-9-12-17-35)49(69)61-43(51(72)73)32(4)45(65)58-38(48(68)57-37)20-15-25-55-52(53)54/h9-14,16-19,21-22,26,30-33,37-41,43H,6,15,20,23-25,27-28H2,1-5,7-8H3,(H,56,67)(H,57,68)(H,58,65)(H,59,64)(H,60,66)(H,61,69)(H,70,71)(H,72,73)(H4,53,54,55)/b22-21+,29-26+/t30-,31-,32-,33+,37-,38-,39+,40-,41-,43+/m0/s1
+CH$LINK: PUBCHEM CID:101619974
+CH$LINK: INCHIKEY NCIZAPYSXYPFOU-POWPIGGBSA-N
+CH$LINK: CHEMSPIDER 78442442
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 107-1071
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 15.482 min
+MS$FOCUSED_ION: BASE_PEAK 230.2468
+MS$FOCUSED_ION: PRECURSOR_M/Z 1029.5404
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-004i-9000000000-887b3dd7dea806a0c1a7
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  1029.5401 C52H73N10O12+ 1 1029.5404 -0.32
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  1029.5401 4888346.5 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED180004.txt b/Eawag/MSBNK-EAWAG-ED180004.txt
new file mode 100644
index 0000000000..45994616aa
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED180004.txt
@@ -0,0 +1,51 @@
+ACCESSION: MSBNK-EAWAG-ED180004
+RECORD_TITLE: MC-FR; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], A. Ballot [dtc], A. Dax [com] * Tentative, please confirm before release
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1800
+CH$NAME: MC-FR
+CH$NAME: Microcystin FR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-8-benzyl-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H72N10O12
+CH$EXACT_MASS: 1028.533118
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C52H72N10O12/c1-29(26-30(2)41(74-8)28-36-18-13-10-14-19-36)21-22-37-31(3)44(64)59-39(50(70)71)23-24-42(63)62(7)34(6)47(67)56-33(5)46(66)60-40(27-35-16-11-9-12-17-35)49(69)61-43(51(72)73)32(4)45(65)58-38(48(68)57-37)20-15-25-55-52(53)54/h9-14,16-19,21-22,26,30-33,37-41,43H,6,15,20,23-25,27-28H2,1-5,7-8H3,(H,56,67)(H,57,68)(H,58,65)(H,59,64)(H,60,66)(H,61,69)(H,70,71)(H,72,73)(H4,53,54,55)/b22-21+,29-26+/t30-,31-,32-,33+,37-,38-,39+,40-,41-,43+/m0/s1
+CH$LINK: PUBCHEM CID:101619974
+CH$LINK: INCHIKEY NCIZAPYSXYPFOU-POWPIGGBSA-N
+CH$LINK: CHEMSPIDER 78442442
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 107-1071
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 15.482 min
+MS$FOCUSED_ION: BASE_PEAK 230.2468
+MS$FOCUSED_ION: PRECURSOR_M/Z 1029.5404
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-004i-9000000000-004b8b4bfb4c5d43f70e
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  135.0801 C9H11O+ 1 135.0804 -2.18
+  213.0864 C7H11N5O3+ 2 213.0856 3.5
+  286.1501 C11H20N5O4+ 3 286.151 -3.07
+  1029.5404 C52H73N10O12+ 1 1029.5404 0.04
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  135.0801 61423.6 26
+  213.0864 64686.5 27
+  286.1501 25508.7 10
+  1029.5404 2353759.2 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED180005.txt b/Eawag/MSBNK-EAWAG-ED180005.txt
new file mode 100644
index 0000000000..aca290bd52
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED180005.txt
@@ -0,0 +1,75 @@
+ACCESSION: MSBNK-EAWAG-ED180005
+RECORD_TITLE: MC-FR; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], A. Ballot [dtc], A. Dax [com] * Tentative, please confirm before release
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1800
+CH$NAME: MC-FR
+CH$NAME: Microcystin FR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-8-benzyl-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H72N10O12
+CH$EXACT_MASS: 1028.533118
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C52H72N10O12/c1-29(26-30(2)41(74-8)28-36-18-13-10-14-19-36)21-22-37-31(3)44(64)59-39(50(70)71)23-24-42(63)62(7)34(6)47(67)56-33(5)46(66)60-40(27-35-16-11-9-12-17-35)49(69)61-43(51(72)73)32(4)45(65)58-38(48(68)57-37)20-15-25-55-52(53)54/h9-14,16-19,21-22,26,30-33,37-41,43H,6,15,20,23-25,27-28H2,1-5,7-8H3,(H,56,67)(H,57,68)(H,58,65)(H,59,64)(H,60,66)(H,61,69)(H,70,71)(H,72,73)(H4,53,54,55)/b22-21+,29-26+/t30-,31-,32-,33+,37-,38-,39+,40-,41-,43+/m0/s1
+CH$LINK: PUBCHEM CID:101619974
+CH$LINK: INCHIKEY NCIZAPYSXYPFOU-POWPIGGBSA-N
+CH$LINK: CHEMSPIDER 78442442
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 107-1071
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 15.482 min
+MS$FOCUSED_ION: BASE_PEAK 230.2468
+MS$FOCUSED_ION: PRECURSOR_M/Z 1029.5404
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-01p9-0920000000-68e7dad7bf0b1fc3e20d
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  107.0856 C8H11+ 1 107.0855 0.9
+  112.087 C5H10N3+ 1 112.0869 1.06
+  115.0867 C5H11N2O+ 1 115.0866 0.8
+  120.0808 C8H10N+ 1 120.0808 0.28
+  127.0865 C6H11N2O+ 1 127.0866 -0.38
+  135.0804 C9H11O+ 1 135.0804 -0.37
+  135.1168 C10H15+ 1 135.1168 -0.1
+  155.0811 C7H11N2O2+ 1 155.0815 -2.37
+  157.108 C6H13N4O+ 1 157.1084 -2.72
+  163.1114 C11H15O+ 1 163.1117 -1.81
+  167.0812 C8H11N2O2+ 1 167.0815 -2.1
+  174.1344 C6H16N5O+ 3 174.1349 -2.9
+  200.1137 C7H14N5O2+ 3 200.1142 -2.72
+  213.0859 C7H11N5O3+ 2 213.0856 1.42
+  269.1233 C10H21O8+ 3 269.1231 0.66
+  285.1675 C11H21N6O3+ 2 285.167 2.02
+PK$NUM_PEAK: 16
+PK$PEAK: m/z int. rel.int.
+  107.0856 105005.4 305
+  112.087 81356 236
+  115.0867 27049.3 78
+  120.0808 182837.2 531
+  127.0865 120488.9 350
+  135.0804 343907.2 999
+  135.1168 135091.1 392
+  155.0811 114640.2 333
+  157.108 61954.1 179
+  163.1114 98487 286
+  167.0812 12481.9 36
+  174.1344 80851.4 234
+  200.1137 90376.2 262
+  213.0859 157997.4 458
+  269.1233 46825.5 136
+  285.1675 35244 102
+//
diff --git a/Eawag/MSBNK-EAWAG-ED180006.txt b/Eawag/MSBNK-EAWAG-ED180006.txt
new file mode 100644
index 0000000000..bbbba0d130
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED180006.txt
@@ -0,0 +1,75 @@
+ACCESSION: MSBNK-EAWAG-ED180006
+RECORD_TITLE: MC-FR; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], A. Ballot [dtc], A. Dax [com] * Tentative, please confirm before release
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1800
+CH$NAME: MC-FR
+CH$NAME: Microcystin FR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-8-benzyl-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H72N10O12
+CH$EXACT_MASS: 1028.533118
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C52H72N10O12/c1-29(26-30(2)41(74-8)28-36-18-13-10-14-19-36)21-22-37-31(3)44(64)59-39(50(70)71)23-24-42(63)62(7)34(6)47(67)56-33(5)46(66)60-40(27-35-16-11-9-12-17-35)49(69)61-43(51(72)73)32(4)45(65)58-38(48(68)57-37)20-15-25-55-52(53)54/h9-14,16-19,21-22,26,30-33,37-41,43H,6,15,20,23-25,27-28H2,1-5,7-8H3,(H,56,67)(H,57,68)(H,58,65)(H,59,64)(H,60,66)(H,61,69)(H,70,71)(H,72,73)(H4,53,54,55)/b22-21+,29-26+/t30-,31-,32-,33+,37-,38-,39+,40-,41-,43+/m0/s1
+CH$LINK: PUBCHEM CID:101619974
+CH$LINK: INCHIKEY NCIZAPYSXYPFOU-POWPIGGBSA-N
+CH$LINK: CHEMSPIDER 78442442
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 107-1071
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 15.482 min
+MS$FOCUSED_ION: BASE_PEAK 230.2468
+MS$FOCUSED_ION: PRECURSOR_M/Z 1029.5404
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-01ri-0900000000-c3baacce323b303e0e63
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  107.0856 C8H11+ 1 107.0855 0.83
+  112.0869 C5H10N3+ 1 112.0869 0.03
+  115.0864 C5H11N2O+ 1 115.0866 -1.52
+  117.0703 C9H9+ 1 117.0699 3.91
+  120.0808 C8H10N+ 1 120.0808 0.28
+  127.0866 C6H11N2O+ 1 127.0866 -0.08
+  135.0805 C9H11O+ 1 135.0804 0.19
+  135.1166 C10H15+ 1 135.1168 -1.91
+  140.0821 C6H10N3O+ 1 140.0818 2.17
+  141.0662 C6H9N2O2+ 1 141.0659 2.7
+  157.1084 C6H13N4O+ 1 157.1084 -0.19
+  163.1118 C11H15O+ 1 163.1117 0.44
+  167.0815 C8H11N2O2+ 1 167.0815 -0.27
+  195.076 C9H11N2O3+ 2 195.0764 -2.16
+  201.0979 C7H13N4O3+ 1 201.0982 -1.45
+  213.0861 C7H11N5O3+ 2 213.0856 2.21
+PK$NUM_PEAK: 16
+PK$PEAK: m/z int. rel.int.
+  107.0856 182327.1 516
+  112.0869 79823.9 226
+  115.0864 51485.8 145
+  117.0703 46106.8 130
+  120.0808 225830.9 640
+  127.0866 238747.4 676
+  135.0805 352423.5 999
+  135.1166 114466.3 324
+  140.0821 26647.2 75
+  141.0662 22896.8 64
+  157.1084 43601.6 123
+  163.1118 47912.9 135
+  167.0815 39681.3 112
+  195.076 34848.9 98
+  201.0979 19038.7 53
+  213.0861 110270.3 312
+//
diff --git a/Eawag/MSBNK-EAWAG-ED180007.txt b/Eawag/MSBNK-EAWAG-ED180007.txt
new file mode 100644
index 0000000000..c0f0fc63b1
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED180007.txt
@@ -0,0 +1,71 @@
+ACCESSION: MSBNK-EAWAG-ED180007
+RECORD_TITLE: MC-FR; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], A. Ballot [dtc], A. Dax [com] * Tentative, please confirm before release
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1800
+CH$NAME: MC-FR
+CH$NAME: Microcystin FR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-8-benzyl-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H72N10O12
+CH$EXACT_MASS: 1028.533118
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C52H72N10O12/c1-29(26-30(2)41(74-8)28-36-18-13-10-14-19-36)21-22-37-31(3)44(64)59-39(50(70)71)23-24-42(63)62(7)34(6)47(67)56-33(5)46(66)60-40(27-35-16-11-9-12-17-35)49(69)61-43(51(72)73)32(4)45(65)58-38(48(68)57-37)20-15-25-55-52(53)54/h9-14,16-19,21-22,26,30-33,37-41,43H,6,15,20,23-25,27-28H2,1-5,7-8H3,(H,56,67)(H,57,68)(H,58,65)(H,59,64)(H,60,66)(H,61,69)(H,70,71)(H,72,73)(H4,53,54,55)/b22-21+,29-26+/t30-,31-,32-,33+,37-,38-,39+,40-,41-,43+/m0/s1
+CH$LINK: PUBCHEM CID:101619974
+CH$LINK: INCHIKEY NCIZAPYSXYPFOU-POWPIGGBSA-N
+CH$LINK: CHEMSPIDER 78442442
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 107-1071
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 15.482 min
+MS$FOCUSED_ION: BASE_PEAK 230.2468
+MS$FOCUSED_ION: PRECURSOR_M/Z 1029.5404
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-05br-0900000000-535a4ff763b2ad6ecda5
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  107.0855 C8H11+ 1 107.0855 0.12
+  112.0867 C5H10N3+ 1 112.0869 -1.67
+  115.0544 C9H7+ 1 115.0542 1.19
+  115.0868 C5H11N2O+ 1 115.0866 1.53
+  117.0698 C9H9+ 1 117.0699 -0.84
+  120.0807 C8H10N+ 1 120.0808 -0.67
+  127.0865 C6H11N2O+ 1 127.0866 -0.74
+  135.0803 C9H11O+ 1 135.0804 -0.71
+  135.1166 C10H15+ 1 135.1168 -1.91
+  141.0662 C6H9N2O2+ 1 141.0659 2.26
+  155.0815 C7H11N2O2+ 1 155.0815 -0.31
+  167.0815 C8H11N2O2+ 1 167.0815 0.18
+  200.114 C7H14N5O2+ 1 200.1142 -0.97
+  213.0856 C7H11N5O3+ 1 213.0856 -0.22
+PK$NUM_PEAK: 14
+PK$PEAK: m/z int. rel.int.
+  107.0855 190628.3 815
+  112.0867 65288 279
+  115.0544 37614.8 160
+  115.0868 37763.2 161
+  117.0698 59352.3 253
+  120.0807 201495.5 861
+  127.0865 207218.6 886
+  135.0803 233542.6 999
+  135.1166 88287 377
+  141.0662 42183 180
+  155.0815 32554.2 139
+  167.0815 58337.7 249
+  200.114 22255.6 95
+  213.0856 53628.7 229
+//
diff --git a/Eawag/MSBNK-EAWAG-ED180051.txt b/Eawag/MSBNK-EAWAG-ED180051.txt
new file mode 100644
index 0000000000..ef8220c42a
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED180051.txt
@@ -0,0 +1,49 @@
+ACCESSION: MSBNK-EAWAG-ED180051
+RECORD_TITLE: MC-FR; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], A. Ballot [dtc], A. Dax [com] * Tentative, please confirm before release
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1800
+CH$NAME: MC-FR
+CH$NAME: Microcystin FR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-8-benzyl-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H72N10O12
+CH$EXACT_MASS: 1028.533118
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C52H72N10O12/c1-29(26-30(2)41(74-8)28-36-18-13-10-14-19-36)21-22-37-31(3)44(64)59-39(50(70)71)23-24-42(63)62(7)34(6)47(67)56-33(5)46(66)60-40(27-35-16-11-9-12-17-35)49(69)61-43(51(72)73)32(4)45(65)58-38(48(68)57-37)20-15-25-55-52(53)54/h9-14,16-19,21-22,26,30-33,37-41,43H,6,15,20,23-25,27-28H2,1-5,7-8H3,(H,56,67)(H,57,68)(H,58,65)(H,59,64)(H,60,66)(H,61,69)(H,70,71)(H,72,73)(H4,53,54,55)/b22-21+,29-26+/t30-,31-,32-,33+,37-,38-,39+,40-,41-,43+/m0/s1
+CH$LINK: PUBCHEM CID:101619974
+CH$LINK: INCHIKEY NCIZAPYSXYPFOU-POWPIGGBSA-N
+CH$LINK: CHEMSPIDER 78442442
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 106-1069
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 15.497 min
+MS$FOCUSED_ION: BASE_PEAK 1027.5268
+MS$FOCUSED_ION: PRECURSOR_M/Z 1027.5258
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-004i-9000000000-60eabbb6229f2bb8bb33
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  114.1711 CH24NO4- 1 114.1711 0.39
+  1009.5148 C52H69N10O11- 1 1009.5153 -0.47
+  1027.5263 C52H71N10O12- 1 1027.5258 0.48
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  114.1711 211619.8 49
+  1009.5148 61781.1 14
+  1027.5263 4228400.5 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED180052.txt b/Eawag/MSBNK-EAWAG-ED180052.txt
new file mode 100644
index 0000000000..4c82cc44b9
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED180052.txt
@@ -0,0 +1,49 @@
+ACCESSION: MSBNK-EAWAG-ED180052
+RECORD_TITLE: MC-FR; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], A. Ballot [dtc], A. Dax [com] * Tentative, please confirm before release
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1800
+CH$NAME: MC-FR
+CH$NAME: Microcystin FR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-8-benzyl-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H72N10O12
+CH$EXACT_MASS: 1028.533118
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C52H72N10O12/c1-29(26-30(2)41(74-8)28-36-18-13-10-14-19-36)21-22-37-31(3)44(64)59-39(50(70)71)23-24-42(63)62(7)34(6)47(67)56-33(5)46(66)60-40(27-35-16-11-9-12-17-35)49(69)61-43(51(72)73)32(4)45(65)58-38(48(68)57-37)20-15-25-55-52(53)54/h9-14,16-19,21-22,26,30-33,37-41,43H,6,15,20,23-25,27-28H2,1-5,7-8H3,(H,56,67)(H,57,68)(H,58,65)(H,59,64)(H,60,66)(H,61,69)(H,70,71)(H,72,73)(H4,53,54,55)/b22-21+,29-26+/t30-,31-,32-,33+,37-,38-,39+,40-,41-,43+/m0/s1
+CH$LINK: PUBCHEM CID:101619974
+CH$LINK: INCHIKEY NCIZAPYSXYPFOU-POWPIGGBSA-N
+CH$LINK: CHEMSPIDER 78442442
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 106-1069
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 15.497 min
+MS$FOCUSED_ION: BASE_PEAK 1027.5268
+MS$FOCUSED_ION: PRECURSOR_M/Z 1027.5258
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-004i-9000000000-861bddf40888ed4a2167
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  114.1711 CH24NO4- 1 114.1711 -0.01
+  1009.5154 C52H69N10O11- 1 1009.5153 0.08
+  1027.5262 C52H71N10O12- 1 1027.5258 0.36
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  114.1711 165999.3 49
+  1009.5154 493916.2 148
+  1027.5262 3325439.2 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED180053.txt b/Eawag/MSBNK-EAWAG-ED180053.txt
new file mode 100644
index 0000000000..5c29f413cf
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED180053.txt
@@ -0,0 +1,51 @@
+ACCESSION: MSBNK-EAWAG-ED180053
+RECORD_TITLE: MC-FR; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], A. Ballot [dtc], A. Dax [com] * Tentative, please confirm before release
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1800
+CH$NAME: MC-FR
+CH$NAME: Microcystin FR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-8-benzyl-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H72N10O12
+CH$EXACT_MASS: 1028.533118
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C52H72N10O12/c1-29(26-30(2)41(74-8)28-36-18-13-10-14-19-36)21-22-37-31(3)44(64)59-39(50(70)71)23-24-42(63)62(7)34(6)47(67)56-33(5)46(66)60-40(27-35-16-11-9-12-17-35)49(69)61-43(51(72)73)32(4)45(65)58-38(48(68)57-37)20-15-25-55-52(53)54/h9-14,16-19,21-22,26,30-33,37-41,43H,6,15,20,23-25,27-28H2,1-5,7-8H3,(H,56,67)(H,57,68)(H,58,65)(H,59,64)(H,60,66)(H,61,69)(H,70,71)(H,72,73)(H4,53,54,55)/b22-21+,29-26+/t30-,31-,32-,33+,37-,38-,39+,40-,41-,43+/m0/s1
+CH$LINK: PUBCHEM CID:101619974
+CH$LINK: INCHIKEY NCIZAPYSXYPFOU-POWPIGGBSA-N
+CH$LINK: CHEMSPIDER 78442442
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 106-1069
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 15.497 min
+MS$FOCUSED_ION: BASE_PEAK 1027.5268
+MS$FOCUSED_ION: PRECURSOR_M/Z 1027.5258
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0a6r-9000000000-f217779e0bc7a5df34e2
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  112.1698 C3H20N4- 1 112.1693 4.39
+  114.171 CH24NO4- 1 114.1711 -1.01
+  1009.5153 C52H69N10O11- 1 1009.5153 0.02
+  1027.5263 C52H71N10O12- 1 1027.5258 0.48
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  112.1698 85063 51
+  114.171 84873.3 51
+  1009.5153 1659712 999
+  1027.5263 1645793.6 990
+//
diff --git a/Eawag/MSBNK-EAWAG-ED180054.txt b/Eawag/MSBNK-EAWAG-ED180054.txt
new file mode 100644
index 0000000000..d7e429a597
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED180054.txt
@@ -0,0 +1,53 @@
+ACCESSION: MSBNK-EAWAG-ED180054
+RECORD_TITLE: MC-FR; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], A. Ballot [dtc], A. Dax [com] * Tentative, please confirm before release
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1800
+CH$NAME: MC-FR
+CH$NAME: Microcystin FR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-8-benzyl-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H72N10O12
+CH$EXACT_MASS: 1028.533118
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C52H72N10O12/c1-29(26-30(2)41(74-8)28-36-18-13-10-14-19-36)21-22-37-31(3)44(64)59-39(50(70)71)23-24-42(63)62(7)34(6)47(67)56-33(5)46(66)60-40(27-35-16-11-9-12-17-35)49(69)61-43(51(72)73)32(4)45(65)58-38(48(68)57-37)20-15-25-55-52(53)54/h9-14,16-19,21-22,26,30-33,37-41,43H,6,15,20,23-25,27-28H2,1-5,7-8H3,(H,56,67)(H,57,68)(H,58,65)(H,59,64)(H,60,66)(H,61,69)(H,70,71)(H,72,73)(H4,53,54,55)/b22-21+,29-26+/t30-,31-,32-,33+,37-,38-,39+,40-,41-,43+/m0/s1
+CH$LINK: PUBCHEM CID:101619974
+CH$LINK: INCHIKEY NCIZAPYSXYPFOU-POWPIGGBSA-N
+CH$LINK: CHEMSPIDER 78442442
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 106-1069
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 15.497 min
+MS$FOCUSED_ION: BASE_PEAK 1027.5268
+MS$FOCUSED_ION: PRECURSOR_M/Z 1027.5258
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0a4i-9100000000-765737200bd13ce8531b
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  112.1698 C3H20N4- 1 112.1693 4.11
+  128.0353 C5H6NO3- 1 128.0353 0.2
+  317.1618 C16H21N4O3- 5 317.1619 -0.41
+  1009.5155 C52H69N10O11- 1 1009.5153 0.2
+  1027.5265 C52H71N10O12- 1 1027.5258 0.59
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  112.1698 94227.4 49
+  128.0353 156836.2 82
+  317.1618 55702.5 29
+  1009.5155 1897830.9 999
+  1027.5265 321611.4 169
+//
diff --git a/Eawag/MSBNK-EAWAG-ED180055.txt b/Eawag/MSBNK-EAWAG-ED180055.txt
new file mode 100644
index 0000000000..187f151880
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED180055.txt
@@ -0,0 +1,65 @@
+ACCESSION: MSBNK-EAWAG-ED180055
+RECORD_TITLE: MC-FR; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], A. Ballot [dtc], A. Dax [com] * Tentative, please confirm before release
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1800
+CH$NAME: MC-FR
+CH$NAME: Microcystin FR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-8-benzyl-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H72N10O12
+CH$EXACT_MASS: 1028.533118
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C52H72N10O12/c1-29(26-30(2)41(74-8)28-36-18-13-10-14-19-36)21-22-37-31(3)44(64)59-39(50(70)71)23-24-42(63)62(7)34(6)47(67)56-33(5)46(66)60-40(27-35-16-11-9-12-17-35)49(69)61-43(51(72)73)32(4)45(65)58-38(48(68)57-37)20-15-25-55-52(53)54/h9-14,16-19,21-22,26,30-33,37-41,43H,6,15,20,23-25,27-28H2,1-5,7-8H3,(H,56,67)(H,57,68)(H,58,65)(H,59,64)(H,60,66)(H,61,69)(H,70,71)(H,72,73)(H4,53,54,55)/b22-21+,29-26+/t30-,31-,32-,33+,37-,38-,39+,40-,41-,43+/m0/s1
+CH$LINK: PUBCHEM CID:101619974
+CH$LINK: INCHIKEY NCIZAPYSXYPFOU-POWPIGGBSA-N
+CH$LINK: CHEMSPIDER 78442442
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 106-1069
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 15.497 min
+MS$FOCUSED_ION: BASE_PEAK 1027.5268
+MS$FOCUSED_ION: PRECURSOR_M/Z 1027.5258
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-004i-0901000000-72e2fbb7392985cc0b99
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  110.0249 C5H4NO2- 1 110.0248 1.31
+  113.0356 C4H5N2O2- 1 113.0357 -0.45
+  124.0406 C6H6NO2- 1 124.0404 1.8
+  128.0353 C5H6NO3- 1 128.0353 -0.16
+  146.0611 C9H8NO- 1 146.0611 -0.04
+  153.0668 C7H9N2O2- 1 153.067 -0.93
+  163.0871 C9H11N2O- 2 163.0877 -3.87
+  170.093 C7H12N3O2- 1 170.0935 -2.85
+  199.0875 C12H11N2O- 1 199.0877 -0.83
+  234.1242 C10H14N6O- 2 234.1235 3.04
+  317.1609 C16H21N4O3- 4 317.1619 -3.2
+PK$NUM_PEAK: 11
+PK$PEAK: m/z int. rel.int.
+  110.0249 25686.2 60
+  113.0356 18295.3 43
+  124.0406 31518.3 74
+  128.0353 424837.3 999
+  146.0611 56124.5 131
+  153.0668 31947.5 75
+  163.0871 14666.1 34
+  170.093 107339.2 252
+  199.0875 22981.8 54
+  234.1242 29131.3 68
+  317.1609 125780 295
+//
diff --git a/Eawag/MSBNK-EAWAG-ED180056.txt b/Eawag/MSBNK-EAWAG-ED180056.txt
new file mode 100644
index 0000000000..79c747f4c5
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED180056.txt
@@ -0,0 +1,65 @@
+ACCESSION: MSBNK-EAWAG-ED180056
+RECORD_TITLE: MC-FR; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], A. Ballot [dtc], A. Dax [com] * Tentative, please confirm before release
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1800
+CH$NAME: MC-FR
+CH$NAME: Microcystin FR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-8-benzyl-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H72N10O12
+CH$EXACT_MASS: 1028.533118
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C52H72N10O12/c1-29(26-30(2)41(74-8)28-36-18-13-10-14-19-36)21-22-37-31(3)44(64)59-39(50(70)71)23-24-42(63)62(7)34(6)47(67)56-33(5)46(66)60-40(27-35-16-11-9-12-17-35)49(69)61-43(51(72)73)32(4)45(65)58-38(48(68)57-37)20-15-25-55-52(53)54/h9-14,16-19,21-22,26,30-33,37-41,43H,6,15,20,23-25,27-28H2,1-5,7-8H3,(H,56,67)(H,57,68)(H,58,65)(H,59,64)(H,60,66)(H,61,69)(H,70,71)(H,72,73)(H4,53,54,55)/b22-21+,29-26+/t30-,31-,32-,33+,37-,38-,39+,40-,41-,43+/m0/s1
+CH$LINK: PUBCHEM CID:101619974
+CH$LINK: INCHIKEY NCIZAPYSXYPFOU-POWPIGGBSA-N
+CH$LINK: CHEMSPIDER 78442442
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 106-1069
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 15.497 min
+MS$FOCUSED_ION: BASE_PEAK 1027.5268
+MS$FOCUSED_ION: PRECURSOR_M/Z 1027.5258
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-004i-0900000000-e23e3adcf032c6a4b9fb
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  110.0249 C5H4NO2- 1 110.0248 1.38
+  113.0359 C4H5N2O2- 1 113.0357 2.24
+  124.0406 C6H6NO2- 1 124.0404 1.25
+  125.072 C6H9N2O- 1 125.072 -0.62
+  128.0353 C5H6NO3- 1 128.0353 -0.28
+  146.0608 C9H8NO- 1 146.0611 -2.34
+  153.067 C7H9N2O2- 1 153.067 0.07
+  170.0927 C7H12N3O2- 2 170.0935 -4.47
+  199.0874 C12H11N2O- 1 199.0877 -1.67
+  206.0924 C8H10N6O- 1 206.0922 1.18
+  216.1136 C10H12N6- 2 216.1129 3.41
+PK$NUM_PEAK: 11
+PK$PEAK: m/z int. rel.int.
+  110.0249 52693.1 200
+  113.0359 45231.9 171
+  124.0406 24752.8 94
+  125.072 15285.6 58
+  128.0353 262841.1 999
+  146.0608 78318 297
+  153.067 31883.9 121
+  170.0927 126738 481
+  199.0874 46879.3 178
+  206.0924 10796 41
+  216.1136 25449.1 96
+//
diff --git a/Eawag/MSBNK-EAWAG-ED180201.txt b/Eawag/MSBNK-EAWAG-ED180201.txt
new file mode 100644
index 0000000000..d0675431ca
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED180201.txt
@@ -0,0 +1,50 @@
+ACCESSION: MSBNK-EAWAG-ED180201
+RECORD_TITLE: MC-RR; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], K. Thomas [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1802
+CH$NAME: MC-RR
+CH$NAME: microcystin RR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-8,15-bis[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C49H75N13O12
+CH$EXACT_MASS: 1037.565815
+CH$SMILES: O=C(N(C)C(C(N[C@H](C)C1=O)=O)=C)CC[C@H](C(O)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CCCNC(N)=N)NC([C@@H](C)[C@H](C(O)=O)NC([C@@H](N1)CCCNC(N)=N)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C49H75N13O12/c1-26(24-27(2)37(74-8)25-32-14-10-9-11-15-32)18-19-33-28(3)40(64)60-36(46(70)71)20-21-38(63)62(7)31(6)43(67)56-30(5)42(66)59-35(17-13-23-55-49(52)53)45(69)61-39(47(72)73)29(4)41(65)58-34(44(68)57-33)16-12-22-54-48(50)51/h9-11,14-15,18-19,24,27-30,33-37,39H,6,12-13,16-17,20-23,25H2,1-5,7-8H3,(H,56,67)(H,57,68)(H,58,65)(H,59,66)(H,60,64)(H,61,69)(H,70,71)(H,72,73)(H4,50,51,54)(H4,52,53,55)/b19-18+,26-24+/t27-,28-,29-,30+,33-,34-,35-,36+,37-,39+/m0/s1
+CH$LINK: CAS 111755-37-4
+CH$LINK: CHEBI 133296
+CH$LINK: KEGG C19995
+CH$LINK: PUBCHEM CID:6438357
+CH$LINK: INCHIKEY JIGDOBKZMULDHS-UUHBQKJESA-N
+CH$LINK: CHEMSPIDER 21258164
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 107-1080
+AC$CHROMATOGRAPHY: COLUMN_NAME Acwuity UPLC HSS T3 1.8um, 3x100mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 85/15 at 0 min, 0/100 at 21 min, 0/100 at 25 min, 2/98 at 25.1 min, 2/98 at 31 min, 85/15 at 31.1 min, 85/15 at 33 min
+AC$CHROMATOGRAPHY: FLOW_RATE 300 uL/min at 0 min, 650 uL/min at 25.1 min, 300 uL/min at 31.1 min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.188 min
+MS$FOCUSED_ION: BASE_PEAK 519.788
+MS$FOCUSED_ION: PRECURSOR_M/Z 1038.5731
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-000i-9000000000-49311fcf81d70ffcb9df
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  1020.5616 C49H74N13O11+ 1 1020.5625 -0.9
+  1038.5721 C49H76N13O12+ 1 1038.5731 -1
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  1020.5616 54482.5 11
+  1038.5721 4686560.5 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED180202.txt b/Eawag/MSBNK-EAWAG-ED180202.txt
new file mode 100644
index 0000000000..e94d45c7fe
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED180202.txt
@@ -0,0 +1,50 @@
+ACCESSION: MSBNK-EAWAG-ED180202
+RECORD_TITLE: MC-RR; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], K. Thomas [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1802
+CH$NAME: MC-RR
+CH$NAME: microcystin RR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-8,15-bis[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C49H75N13O12
+CH$EXACT_MASS: 1037.565815
+CH$SMILES: O=C(N(C)C(C(N[C@H](C)C1=O)=O)=C)CC[C@H](C(O)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CCCNC(N)=N)NC([C@@H](C)[C@H](C(O)=O)NC([C@@H](N1)CCCNC(N)=N)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C49H75N13O12/c1-26(24-27(2)37(74-8)25-32-14-10-9-11-15-32)18-19-33-28(3)40(64)60-36(46(70)71)20-21-38(63)62(7)31(6)43(67)56-30(5)42(66)59-35(17-13-23-55-49(52)53)45(69)61-39(47(72)73)29(4)41(65)58-34(44(68)57-33)16-12-22-54-48(50)51/h9-11,14-15,18-19,24,27-30,33-37,39H,6,12-13,16-17,20-23,25H2,1-5,7-8H3,(H,56,67)(H,57,68)(H,58,65)(H,59,66)(H,60,64)(H,61,69)(H,70,71)(H,72,73)(H4,50,51,54)(H4,52,53,55)/b19-18+,26-24+/t27-,28-,29-,30+,33-,34-,35-,36+,37-,39+/m0/s1
+CH$LINK: CAS 111755-37-4
+CH$LINK: CHEBI 133296
+CH$LINK: KEGG C19995
+CH$LINK: PUBCHEM CID:6438357
+CH$LINK: INCHIKEY JIGDOBKZMULDHS-UUHBQKJESA-N
+CH$LINK: CHEMSPIDER 21258164
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 107-1080
+AC$CHROMATOGRAPHY: COLUMN_NAME Acwuity UPLC HSS T3 1.8um, 3x100mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 85/15 at 0 min, 0/100 at 21 min, 0/100 at 25 min, 2/98 at 25.1 min, 2/98 at 31 min, 85/15 at 31.1 min, 85/15 at 33 min
+AC$CHROMATOGRAPHY: FLOW_RATE 300 uL/min at 0 min, 650 uL/min at 25.1 min, 300 uL/min at 31.1 min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.188 min
+MS$FOCUSED_ION: BASE_PEAK 519.788
+MS$FOCUSED_ION: PRECURSOR_M/Z 1038.5731
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-000i-9000000000-753f8e0f1d2e73e247c2
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  1020.5627 C49H74N13O11+ 1 1020.5625 0.18
+  1038.5736 C49H76N13O12+ 1 1038.5731 0.53
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  1020.5627 362067 93
+  1038.5736 3856316.8 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED180203.txt b/Eawag/MSBNK-EAWAG-ED180203.txt
new file mode 100644
index 0000000000..ec184479e4
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED180203.txt
@@ -0,0 +1,52 @@
+ACCESSION: MSBNK-EAWAG-ED180203
+RECORD_TITLE: MC-RR; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], K. Thomas [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1802
+CH$NAME: MC-RR
+CH$NAME: microcystin RR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-8,15-bis[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C49H75N13O12
+CH$EXACT_MASS: 1037.565815
+CH$SMILES: O=C(N(C)C(C(N[C@H](C)C1=O)=O)=C)CC[C@H](C(O)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CCCNC(N)=N)NC([C@@H](C)[C@H](C(O)=O)NC([C@@H](N1)CCCNC(N)=N)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C49H75N13O12/c1-26(24-27(2)37(74-8)25-32-14-10-9-11-15-32)18-19-33-28(3)40(64)60-36(46(70)71)20-21-38(63)62(7)31(6)43(67)56-30(5)42(66)59-35(17-13-23-55-49(52)53)45(69)61-39(47(72)73)29(4)41(65)58-34(44(68)57-33)16-12-22-54-48(50)51/h9-11,14-15,18-19,24,27-30,33-37,39H,6,12-13,16-17,20-23,25H2,1-5,7-8H3,(H,56,67)(H,57,68)(H,58,65)(H,59,66)(H,60,64)(H,61,69)(H,70,71)(H,72,73)(H4,50,51,54)(H4,52,53,55)/b19-18+,26-24+/t27-,28-,29-,30+,33-,34-,35-,36+,37-,39+/m0/s1
+CH$LINK: CAS 111755-37-4
+CH$LINK: CHEBI 133296
+CH$LINK: KEGG C19995
+CH$LINK: PUBCHEM CID:6438357
+CH$LINK: INCHIKEY JIGDOBKZMULDHS-UUHBQKJESA-N
+CH$LINK: CHEMSPIDER 21258164
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 107-1080
+AC$CHROMATOGRAPHY: COLUMN_NAME Acwuity UPLC HSS T3 1.8um, 3x100mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 85/15 at 0 min, 0/100 at 21 min, 0/100 at 25 min, 2/98 at 25.1 min, 2/98 at 31 min, 85/15 at 31.1 min, 85/15 at 33 min
+AC$CHROMATOGRAPHY: FLOW_RATE 300 uL/min at 0 min, 650 uL/min at 25.1 min, 300 uL/min at 31.1 min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.188 min
+MS$FOCUSED_ION: BASE_PEAK 519.788
+MS$FOCUSED_ION: PRECURSOR_M/Z 1038.5731
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-000i-9000000000-45d95672e5b146401a61
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  978.5416 C48H72N11O11+ 1 978.5407 0.91
+  1020.5616 C49H74N13O11+ 1 1020.5625 -0.9
+  1038.5729 C49H76N13O12+ 1 1038.5731 -0.17
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  978.5416 29516.2 10
+  1020.5616 973322.6 362
+  1038.5729 2683437 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED180204.txt b/Eawag/MSBNK-EAWAG-ED180204.txt
new file mode 100644
index 0000000000..7dd3f2a93d
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED180204.txt
@@ -0,0 +1,54 @@
+ACCESSION: MSBNK-EAWAG-ED180204
+RECORD_TITLE: MC-RR; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], K. Thomas [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1802
+CH$NAME: MC-RR
+CH$NAME: microcystin RR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-8,15-bis[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C49H75N13O12
+CH$EXACT_MASS: 1037.565815
+CH$SMILES: O=C(N(C)C(C(N[C@H](C)C1=O)=O)=C)CC[C@H](C(O)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CCCNC(N)=N)NC([C@@H](C)[C@H](C(O)=O)NC([C@@H](N1)CCCNC(N)=N)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C49H75N13O12/c1-26(24-27(2)37(74-8)25-32-14-10-9-11-15-32)18-19-33-28(3)40(64)60-36(46(70)71)20-21-38(63)62(7)31(6)43(67)56-30(5)42(66)59-35(17-13-23-55-49(52)53)45(69)61-39(47(72)73)29(4)41(65)58-34(44(68)57-33)16-12-22-54-48(50)51/h9-11,14-15,18-19,24,27-30,33-37,39H,6,12-13,16-17,20-23,25H2,1-5,7-8H3,(H,56,67)(H,57,68)(H,58,65)(H,59,66)(H,60,64)(H,61,69)(H,70,71)(H,72,73)(H4,50,51,54)(H4,52,53,55)/b19-18+,26-24+/t27-,28-,29-,30+,33-,34-,35-,36+,37-,39+/m0/s1
+CH$LINK: CAS 111755-37-4
+CH$LINK: CHEBI 133296
+CH$LINK: KEGG C19995
+CH$LINK: PUBCHEM CID:6438357
+CH$LINK: INCHIKEY JIGDOBKZMULDHS-UUHBQKJESA-N
+CH$LINK: CHEMSPIDER 21258164
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 107-1080
+AC$CHROMATOGRAPHY: COLUMN_NAME Acwuity UPLC HSS T3 1.8um, 3x100mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 85/15 at 0 min, 0/100 at 21 min, 0/100 at 25 min, 2/98 at 25.1 min, 2/98 at 31 min, 85/15 at 31.1 min, 85/15 at 33 min
+AC$CHROMATOGRAPHY: FLOW_RATE 300 uL/min at 0 min, 650 uL/min at 25.1 min, 300 uL/min at 31.1 min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.188 min
+MS$FOCUSED_ION: BASE_PEAK 519.788
+MS$FOCUSED_ION: PRECURSOR_M/Z 1038.5731
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-00dr-9000000001-fd114f4555705369f9e4
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  996.5507 C48H74N11O12+ 1 996.5513 -0.63
+  1020.5624 C49H74N13O11+ 1 1020.5625 -0.12
+  1021.5471 C49H73N12O12+ 1 1021.5465 0.59
+  1038.573 C49H76N13O12+ 1 1038.5731 -0.06
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  996.5507 310792.4 335
+  1020.5624 798190.9 861
+  1021.5471 323097.1 348
+  1038.573 925779.2 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED180205.txt b/Eawag/MSBNK-EAWAG-ED180205.txt
new file mode 100644
index 0000000000..549fe265d5
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED180205.txt
@@ -0,0 +1,58 @@
+ACCESSION: MSBNK-EAWAG-ED180205
+RECORD_TITLE: MC-RR; LC-ESI-QFT; MS2; CE: 35%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], K. Thomas [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1802
+CH$NAME: MC-RR
+CH$NAME: microcystin RR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-8,15-bis[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C49H75N13O12
+CH$EXACT_MASS: 1037.565815
+CH$SMILES: O=C(N(C)C(C(N[C@H](C)C1=O)=O)=C)CC[C@H](C(O)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CCCNC(N)=N)NC([C@@H](C)[C@H](C(O)=O)NC([C@@H](N1)CCCNC(N)=N)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C49H75N13O12/c1-26(24-27(2)37(74-8)25-32-14-10-9-11-15-32)18-19-33-28(3)40(64)60-36(46(70)71)20-21-38(63)62(7)31(6)43(67)56-30(5)42(66)59-35(17-13-23-55-49(52)53)45(69)61-39(47(72)73)29(4)41(65)58-34(44(68)57-33)16-12-22-54-48(50)51/h9-11,14-15,18-19,24,27-30,33-37,39H,6,12-13,16-17,20-23,25H2,1-5,7-8H3,(H,56,67)(H,57,68)(H,58,65)(H,59,66)(H,60,64)(H,61,69)(H,70,71)(H,72,73)(H4,50,51,54)(H4,52,53,55)/b19-18+,26-24+/t27-,28-,29-,30+,33-,34-,35-,36+,37-,39+/m0/s1
+CH$LINK: CAS 111755-37-4
+CH$LINK: CHEBI 133296
+CH$LINK: KEGG C19995
+CH$LINK: PUBCHEM CID:6438357
+CH$LINK: INCHIKEY JIGDOBKZMULDHS-UUHBQKJESA-N
+CH$LINK: CHEMSPIDER 21258164
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 35 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 107-1080
+AC$CHROMATOGRAPHY: COLUMN_NAME Acwuity UPLC HSS T3 1.8um, 3x100mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 85/15 at 0 min, 0/100 at 21 min, 0/100 at 25 min, 2/98 at 25.1 min, 2/98 at 31 min, 85/15 at 31.1 min, 85/15 at 33 min
+AC$CHROMATOGRAPHY: FLOW_RATE 300 uL/min at 0 min, 650 uL/min at 25.1 min, 300 uL/min at 31.1 min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.188 min
+MS$FOCUSED_ION: BASE_PEAK 519.788
+MS$FOCUSED_ION: PRECURSOR_M/Z 1038.5731
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-00dj-9100000007-8ae989a5efae98f9b3c1
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  135.0804 C9H11O+ 1 135.0804 -0.48
+  285.1668 C11H21N6O3+ 3 285.167 -0.5
+  978.5392 C48H72N11O11+ 1 978.5407 -1.58
+  996.5509 C48H74N11O12+ 1 996.5513 -0.44
+  1003.5361 C49H71N12O11+ 1 1003.536 0.17
+  1020.5626 C49H74N13O11+ 1 1020.5625 0.12
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  135.0804 63288.3 230
+  285.1668 16884.2 61
+  978.5392 109555.6 399
+  996.5509 229901.6 837
+  1003.5361 128489.2 468
+  1020.5626 274193 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED180206.txt b/Eawag/MSBNK-EAWAG-ED180206.txt
new file mode 100644
index 0000000000..238c238d2a
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED180206.txt
@@ -0,0 +1,72 @@
+ACCESSION: MSBNK-EAWAG-ED180206
+RECORD_TITLE: MC-RR; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], K. Thomas [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1802
+CH$NAME: MC-RR
+CH$NAME: microcystin RR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-8,15-bis[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C49H75N13O12
+CH$EXACT_MASS: 1037.565815
+CH$SMILES: O=C(N(C)C(C(N[C@H](C)C1=O)=O)=C)CC[C@H](C(O)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CCCNC(N)=N)NC([C@@H](C)[C@H](C(O)=O)NC([C@@H](N1)CCCNC(N)=N)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C49H75N13O12/c1-26(24-27(2)37(74-8)25-32-14-10-9-11-15-32)18-19-33-28(3)40(64)60-36(46(70)71)20-21-38(63)62(7)31(6)43(67)56-30(5)42(66)59-35(17-13-23-55-49(52)53)45(69)61-39(47(72)73)29(4)41(65)58-34(44(68)57-33)16-12-22-54-48(50)51/h9-11,14-15,18-19,24,27-30,33-37,39H,6,12-13,16-17,20-23,25H2,1-5,7-8H3,(H,56,67)(H,57,68)(H,58,65)(H,59,66)(H,60,64)(H,61,69)(H,70,71)(H,72,73)(H4,50,51,54)(H4,52,53,55)/b19-18+,26-24+/t27-,28-,29-,30+,33-,34-,35-,36+,37-,39+/m0/s1
+CH$LINK: CAS 111755-37-4
+CH$LINK: CHEBI 133296
+CH$LINK: KEGG C19995
+CH$LINK: PUBCHEM CID:6438357
+CH$LINK: INCHIKEY JIGDOBKZMULDHS-UUHBQKJESA-N
+CH$LINK: CHEMSPIDER 21258164
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 107-1080
+AC$CHROMATOGRAPHY: COLUMN_NAME Acwuity UPLC HSS T3 1.8um, 3x100mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 85/15 at 0 min, 0/100 at 21 min, 0/100 at 25 min, 2/98 at 25.1 min, 2/98 at 31 min, 85/15 at 31.1 min, 85/15 at 33 min
+AC$CHROMATOGRAPHY: FLOW_RATE 300 uL/min at 0 min, 650 uL/min at 25.1 min, 300 uL/min at 31.1 min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.188 min
+MS$FOCUSED_ION: BASE_PEAK 519.788
+MS$FOCUSED_ION: PRECURSOR_M/Z 1038.5731
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-000i-0930000000-a647b336158bb602c073
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  127.0868 C6H11N2O+ 1 127.0866 1.29
+  135.0806 C9H11O+ 1 135.0804 1.21
+  135.1167 C10H15+ 1 135.1168 -1.22
+  163.1114 C11H15O+ 1 163.1117 -2
+  174.1346 C6H16N5O+ 1 174.1349 -1.82
+  213.0862 C7H11N5O3+ 2 213.0856 2.54
+  239.0648 C8H9N5O4+ 2 239.0649 -0.6
+  285.1665 C11H21N6O3+ 3 285.167 -1.67
+  286.1505 C11H20N5O4+ 3 286.151 -1.81
+  294.1556 C13H20N5O3+ 3 294.1561 -1.74
+  311.1824 C13H23N6O3+ 4 311.1826 -0.59
+  440.2245 C32H28N2+ 10 440.2247 -0.45
+  1020.5637 C49H74N13O11+ 1 1020.5625 1.14
+PK$NUM_PEAK: 13
+PK$PEAK: m/z int. rel.int.
+  127.0868 56524.3 390
+  135.0806 144688.4 999
+  135.1167 50890.8 351
+  163.1114 44947.1 310
+  174.1346 36751.9 253
+  213.0862 62465 431
+  239.0648 12191.9 84
+  285.1665 26971.3 186
+  286.1505 25165 173
+  294.1556 13646.8 94
+  311.1824 13367.7 92
+  440.2245 26007.9 179
+  1020.5637 17561.6 121
+//
diff --git a/Eawag/MSBNK-EAWAG-ED180207.txt b/Eawag/MSBNK-EAWAG-ED180207.txt
new file mode 100644
index 0000000000..90be4c3628
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED180207.txt
@@ -0,0 +1,64 @@
+ACCESSION: MSBNK-EAWAG-ED180207
+RECORD_TITLE: MC-RR; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], K. Thomas [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1802
+CH$NAME: MC-RR
+CH$NAME: microcystin RR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-8,15-bis[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C49H75N13O12
+CH$EXACT_MASS: 1037.565815
+CH$SMILES: O=C(N(C)C(C(N[C@H](C)C1=O)=O)=C)CC[C@H](C(O)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CCCNC(N)=N)NC([C@@H](C)[C@H](C(O)=O)NC([C@@H](N1)CCCNC(N)=N)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C49H75N13O12/c1-26(24-27(2)37(74-8)25-32-14-10-9-11-15-32)18-19-33-28(3)40(64)60-36(46(70)71)20-21-38(63)62(7)31(6)43(67)56-30(5)42(66)59-35(17-13-23-55-49(52)53)45(69)61-39(47(72)73)29(4)41(65)58-34(44(68)57-33)16-12-22-54-48(50)51/h9-11,14-15,18-19,24,27-30,33-37,39H,6,12-13,16-17,20-23,25H2,1-5,7-8H3,(H,56,67)(H,57,68)(H,58,65)(H,59,66)(H,60,64)(H,61,69)(H,70,71)(H,72,73)(H4,50,51,54)(H4,52,53,55)/b19-18+,26-24+/t27-,28-,29-,30+,33-,34-,35-,36+,37-,39+/m0/s1
+CH$LINK: CAS 111755-37-4
+CH$LINK: CHEBI 133296
+CH$LINK: KEGG C19995
+CH$LINK: PUBCHEM CID:6438357
+CH$LINK: INCHIKEY JIGDOBKZMULDHS-UUHBQKJESA-N
+CH$LINK: CHEMSPIDER 21258164
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 107-1080
+AC$CHROMATOGRAPHY: COLUMN_NAME Acwuity UPLC HSS T3 1.8um, 3x100mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 85/15 at 0 min, 0/100 at 21 min, 0/100 at 25 min, 2/98 at 25.1 min, 2/98 at 31 min, 85/15 at 31.1 min, 85/15 at 33 min
+AC$CHROMATOGRAPHY: FLOW_RATE 300 uL/min at 0 min, 650 uL/min at 25.1 min, 300 uL/min at 31.1 min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.188 min
+MS$FOCUSED_ION: BASE_PEAK 519.788
+MS$FOCUSED_ION: PRECURSOR_M/Z 1038.5731
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-002r-0910000000-693d9640a03a2a0b29e3
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  112.0869 C5H10N3+ 1 112.0869 -0.51
+  115.0864 C5H11N2O+ 1 115.0866 -1.56
+  127.0867 C6H11N2O+ 1 127.0866 0.51
+  135.0805 C9H11O+ 1 135.0804 0.2
+  135.1167 C10H15+ 1 135.1168 -0.88
+  155.0815 C7H11N2O2+ 1 155.0815 0.29
+  167.0816 C8H11N2O2+ 1 167.0815 0.84
+  213.0862 C7H11N5O3+ 2 213.0856 2.75
+  239.0652 C8H9N5O4+ 3 239.0649 1.32
+PK$NUM_PEAK: 9
+PK$PEAK: m/z int. rel.int.
+  112.0869 78068.4 268
+  115.0864 63154 217
+  127.0867 191892.8 659
+  135.0805 290633.5 999
+  135.1167 88995.6 305
+  155.0815 60251.4 207
+  167.0816 30549.1 105
+  213.0862 105775.9 363
+  239.0652 22019.4 75
+//
diff --git a/Eawag/MSBNK-EAWAG-ED180208.txt b/Eawag/MSBNK-EAWAG-ED180208.txt
new file mode 100644
index 0000000000..99a0fd2dcf
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED180208.txt
@@ -0,0 +1,64 @@
+ACCESSION: MSBNK-EAWAG-ED180208
+RECORD_TITLE: MC-RR; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], K. Thomas [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1802
+CH$NAME: MC-RR
+CH$NAME: microcystin RR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-8,15-bis[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C49H75N13O12
+CH$EXACT_MASS: 1037.565815
+CH$SMILES: O=C(N(C)C(C(N[C@H](C)C1=O)=O)=C)CC[C@H](C(O)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CCCNC(N)=N)NC([C@@H](C)[C@H](C(O)=O)NC([C@@H](N1)CCCNC(N)=N)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C49H75N13O12/c1-26(24-27(2)37(74-8)25-32-14-10-9-11-15-32)18-19-33-28(3)40(64)60-36(46(70)71)20-21-38(63)62(7)31(6)43(67)56-30(5)42(66)59-35(17-13-23-55-49(52)53)45(69)61-39(47(72)73)29(4)41(65)58-34(44(68)57-33)16-12-22-54-48(50)51/h9-11,14-15,18-19,24,27-30,33-37,39H,6,12-13,16-17,20-23,25H2,1-5,7-8H3,(H,56,67)(H,57,68)(H,58,65)(H,59,66)(H,60,64)(H,61,69)(H,70,71)(H,72,73)(H4,50,51,54)(H4,52,53,55)/b19-18+,26-24+/t27-,28-,29-,30+,33-,34-,35-,36+,37-,39+/m0/s1
+CH$LINK: CAS 111755-37-4
+CH$LINK: CHEBI 133296
+CH$LINK: KEGG C19995
+CH$LINK: PUBCHEM CID:6438357
+CH$LINK: INCHIKEY JIGDOBKZMULDHS-UUHBQKJESA-N
+CH$LINK: CHEMSPIDER 21258164
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 107-1080
+AC$CHROMATOGRAPHY: COLUMN_NAME Acwuity UPLC HSS T3 1.8um, 3x100mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 85/15 at 0 min, 0/100 at 21 min, 0/100 at 25 min, 2/98 at 25.1 min, 2/98 at 31 min, 85/15 at 31.1 min, 85/15 at 33 min
+AC$CHROMATOGRAPHY: FLOW_RATE 300 uL/min at 0 min, 650 uL/min at 25.1 min, 300 uL/min at 31.1 min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.188 min
+MS$FOCUSED_ION: BASE_PEAK 519.788
+MS$FOCUSED_ION: PRECURSOR_M/Z 1038.5731
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-01ri-0900000000-0972f9b17b46fad36e00
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  112.087 C5H10N3+ 1 112.0869 0.72
+  113.0709 C5H9N2O+ 1 113.0709 -0.39
+  115.0866 C5H11N2O+ 1 115.0866 0.1
+  117.07 C9H9+ 1 117.0699 1.31
+  127.0867 C6H11N2O+ 1 127.0866 0.93
+  135.0805 C9H11O+ 1 135.0804 0.65
+  135.1164 C10H15+ 1 135.1168 -3.26
+  155.0815 C7H11N2O2+ 1 155.0815 -0.3
+  213.0859 C7H11N5O3+ 1 213.0856 1.11
+PK$NUM_PEAK: 9
+PK$PEAK: m/z int. rel.int.
+  112.087 82573.6 334
+  113.0709 16792.6 68
+  115.0866 58109.4 235
+  117.07 35889.2 145
+  127.0867 246509 999
+  135.0805 194133.4 786
+  135.1164 55125.2 223
+  155.0815 30473.8 123
+  213.0859 46544.8 188
+//
diff --git a/Eawag/MSBNK-EAWAG-ED180209.txt b/Eawag/MSBNK-EAWAG-ED180209.txt
new file mode 100644
index 0000000000..77b0145ea6
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED180209.txt
@@ -0,0 +1,58 @@
+ACCESSION: MSBNK-EAWAG-ED180209
+RECORD_TITLE: MC-RR; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], K. Thomas [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1802
+CH$NAME: MC-RR
+CH$NAME: microcystin RR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-8,15-bis[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C49H75N13O12
+CH$EXACT_MASS: 1037.565815
+CH$SMILES: O=C(N(C)C(C(N[C@H](C)C1=O)=O)=C)CC[C@H](C(O)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CCCNC(N)=N)NC([C@@H](C)[C@H](C(O)=O)NC([C@@H](N1)CCCNC(N)=N)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C49H75N13O12/c1-26(24-27(2)37(74-8)25-32-14-10-9-11-15-32)18-19-33-28(3)40(64)60-36(46(70)71)20-21-38(63)62(7)31(6)43(67)56-30(5)42(66)59-35(17-13-23-55-49(52)53)45(69)61-39(47(72)73)29(4)41(65)58-34(44(68)57-33)16-12-22-54-48(50)51/h9-11,14-15,18-19,24,27-30,33-37,39H,6,12-13,16-17,20-23,25H2,1-5,7-8H3,(H,56,67)(H,57,68)(H,58,65)(H,59,66)(H,60,64)(H,61,69)(H,70,71)(H,72,73)(H4,50,51,54)(H4,52,53,55)/b19-18+,26-24+/t27-,28-,29-,30+,33-,34-,35-,36+,37-,39+/m0/s1
+CH$LINK: CAS 111755-37-4
+CH$LINK: CHEBI 133296
+CH$LINK: KEGG C19995
+CH$LINK: PUBCHEM CID:6438357
+CH$LINK: INCHIKEY JIGDOBKZMULDHS-UUHBQKJESA-N
+CH$LINK: CHEMSPIDER 21258164
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 107-1080
+AC$CHROMATOGRAPHY: COLUMN_NAME Acwuity UPLC HSS T3 1.8um, 3x100mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 85/15 at 0 min, 0/100 at 21 min, 0/100 at 25 min, 2/98 at 25.1 min, 2/98 at 31 min, 85/15 at 31.1 min, 85/15 at 33 min
+AC$CHROMATOGRAPHY: FLOW_RATE 300 uL/min at 0 min, 650 uL/min at 25.1 min, 300 uL/min at 31.1 min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.188 min
+MS$FOCUSED_ION: BASE_PEAK 519.788
+MS$FOCUSED_ION: PRECURSOR_M/Z 1038.5731
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-00p0-0900000000-58016870c823edd66dda
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  115.0867 C5H11N2O+ 1 115.0866 1.22
+  117.07 C9H9+ 1 117.0699 0.85
+  127.0865 C6H11N2O+ 1 127.0866 -0.45
+  135.0804 C9H11O+ 1 135.0804 -0.37
+  135.1171 C10H15+ 1 135.1168 1.94
+  167.0818 C8H11N2O2+ 1 167.0815 1.66
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  115.0867 26945.9 151
+  117.07 29217.7 164
+  127.0865 177742 999
+  135.0804 98228 552
+  135.1171 24215.8 136
+  167.0818 33222.7 186
+//
diff --git a/Eawag/MSBNK-EAWAG-ED180251.txt b/Eawag/MSBNK-EAWAG-ED180251.txt
new file mode 100644
index 0000000000..28a0673ab1
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED180251.txt
@@ -0,0 +1,50 @@
+ACCESSION: MSBNK-EAWAG-ED180251
+RECORD_TITLE: MC-RR; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], K. Thomas [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1802
+CH$NAME: MC-RR
+CH$NAME: microcystin RR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-8,15-bis[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C49H75N13O12
+CH$EXACT_MASS: 1037.565815
+CH$SMILES: O=C(N(C)C(C(N[C@H](C)C1=O)=O)=C)CC[C@H](C(O)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CCCNC(N)=N)NC([C@@H](C)[C@H](C(O)=O)NC([C@@H](N1)CCCNC(N)=N)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C49H75N13O12/c1-26(24-27(2)37(74-8)25-32-14-10-9-11-15-32)18-19-33-28(3)40(64)60-36(46(70)71)20-21-38(63)62(7)31(6)43(67)56-30(5)42(66)59-35(17-13-23-55-49(52)53)45(69)61-39(47(72)73)29(4)41(65)58-34(44(68)57-33)16-12-22-54-48(50)51/h9-11,14-15,18-19,24,27-30,33-37,39H,6,12-13,16-17,20-23,25H2,1-5,7-8H3,(H,56,67)(H,57,68)(H,58,65)(H,59,66)(H,60,64)(H,61,69)(H,70,71)(H,72,73)(H4,50,51,54)(H4,52,53,55)/b19-18+,26-24+/t27-,28-,29-,30+,33-,34-,35-,36+,37-,39+/m0/s1
+CH$LINK: CAS 111755-37-4
+CH$LINK: CHEBI 133296
+CH$LINK: KEGG C19995
+CH$LINK: PUBCHEM CID:6438357
+CH$LINK: INCHIKEY JIGDOBKZMULDHS-UUHBQKJESA-N
+CH$LINK: CHEMSPIDER 21258164
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 107-1078
+AC$CHROMATOGRAPHY: COLUMN_NAME Acwuity UPLC HSS T3 1.8um, 3x100mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 85/15 at 0 min, 0/100 at 21 min, 0/100 at 25 min, 2/98 at 25.1 min, 2/98 at 31 min, 85/15 at 31.1 min, 85/15 at 33 min
+AC$CHROMATOGRAPHY: FLOW_RATE 300 uL/min at 0 min, 650 uL/min at 25.1 min, 300 uL/min at 31.1 min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.209 min
+MS$FOCUSED_ION: BASE_PEAK 1036.5591
+MS$FOCUSED_ION: PRECURSOR_M/Z 1036.5585
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-000i-9000000000-a3e0c74e430661ff3289
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  1018.5474 C49H72N13O11- 1 1018.548 -0.57
+  1036.5586 C49H74N13O12- 1 1036.5585 0.09
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  1018.5474 245066.6 12
+  1036.5586 19928900 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED180252.txt b/Eawag/MSBNK-EAWAG-ED180252.txt
new file mode 100644
index 0000000000..31c9f06e41
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED180252.txt
@@ -0,0 +1,50 @@
+ACCESSION: MSBNK-EAWAG-ED180252
+RECORD_TITLE: MC-RR; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], K. Thomas [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1802
+CH$NAME: MC-RR
+CH$NAME: microcystin RR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-8,15-bis[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C49H75N13O12
+CH$EXACT_MASS: 1037.565815
+CH$SMILES: O=C(N(C)C(C(N[C@H](C)C1=O)=O)=C)CC[C@H](C(O)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CCCNC(N)=N)NC([C@@H](C)[C@H](C(O)=O)NC([C@@H](N1)CCCNC(N)=N)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C49H75N13O12/c1-26(24-27(2)37(74-8)25-32-14-10-9-11-15-32)18-19-33-28(3)40(64)60-36(46(70)71)20-21-38(63)62(7)31(6)43(67)56-30(5)42(66)59-35(17-13-23-55-49(52)53)45(69)61-39(47(72)73)29(4)41(65)58-34(44(68)57-33)16-12-22-54-48(50)51/h9-11,14-15,18-19,24,27-30,33-37,39H,6,12-13,16-17,20-23,25H2,1-5,7-8H3,(H,56,67)(H,57,68)(H,58,65)(H,59,66)(H,60,64)(H,61,69)(H,70,71)(H,72,73)(H4,50,51,54)(H4,52,53,55)/b19-18+,26-24+/t27-,28-,29-,30+,33-,34-,35-,36+,37-,39+/m0/s1
+CH$LINK: CAS 111755-37-4
+CH$LINK: CHEBI 133296
+CH$LINK: KEGG C19995
+CH$LINK: PUBCHEM CID:6438357
+CH$LINK: INCHIKEY JIGDOBKZMULDHS-UUHBQKJESA-N
+CH$LINK: CHEMSPIDER 21258164
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 107-1078
+AC$CHROMATOGRAPHY: COLUMN_NAME Acwuity UPLC HSS T3 1.8um, 3x100mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 85/15 at 0 min, 0/100 at 21 min, 0/100 at 25 min, 2/98 at 25.1 min, 2/98 at 31 min, 85/15 at 31.1 min, 85/15 at 33 min
+AC$CHROMATOGRAPHY: FLOW_RATE 300 uL/min at 0 min, 650 uL/min at 25.1 min, 300 uL/min at 31.1 min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.209 min
+MS$FOCUSED_ION: BASE_PEAK 1036.5591
+MS$FOCUSED_ION: PRECURSOR_M/Z 1036.5585
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-000i-9000000000-71c158977fb14fa71894
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  1018.5486 C49H72N13O11- 1 1018.548 0.57
+  1036.5588 C49H74N13O12- 1 1036.5585 0.21
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  1018.5486 1934453.6 111
+  1036.5588 17383292 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED180253.txt b/Eawag/MSBNK-EAWAG-ED180253.txt
new file mode 100644
index 0000000000..494c8798d6
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED180253.txt
@@ -0,0 +1,54 @@
+ACCESSION: MSBNK-EAWAG-ED180253
+RECORD_TITLE: MC-RR; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], K. Thomas [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1802
+CH$NAME: MC-RR
+CH$NAME: microcystin RR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-8,15-bis[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C49H75N13O12
+CH$EXACT_MASS: 1037.565815
+CH$SMILES: O=C(N(C)C(C(N[C@H](C)C1=O)=O)=C)CC[C@H](C(O)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CCCNC(N)=N)NC([C@@H](C)[C@H](C(O)=O)NC([C@@H](N1)CCCNC(N)=N)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C49H75N13O12/c1-26(24-27(2)37(74-8)25-32-14-10-9-11-15-32)18-19-33-28(3)40(64)60-36(46(70)71)20-21-38(63)62(7)31(6)43(67)56-30(5)42(66)59-35(17-13-23-55-49(52)53)45(69)61-39(47(72)73)29(4)41(65)58-34(44(68)57-33)16-12-22-54-48(50)51/h9-11,14-15,18-19,24,27-30,33-37,39H,6,12-13,16-17,20-23,25H2,1-5,7-8H3,(H,56,67)(H,57,68)(H,58,65)(H,59,66)(H,60,64)(H,61,69)(H,70,71)(H,72,73)(H4,50,51,54)(H4,52,53,55)/b19-18+,26-24+/t27-,28-,29-,30+,33-,34-,35-,36+,37-,39+/m0/s1
+CH$LINK: CAS 111755-37-4
+CH$LINK: CHEBI 133296
+CH$LINK: KEGG C19995
+CH$LINK: PUBCHEM CID:6438357
+CH$LINK: INCHIKEY JIGDOBKZMULDHS-UUHBQKJESA-N
+CH$LINK: CHEMSPIDER 21258164
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 107-1078
+AC$CHROMATOGRAPHY: COLUMN_NAME Acwuity UPLC HSS T3 1.8um, 3x100mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 85/15 at 0 min, 0/100 at 21 min, 0/100 at 25 min, 2/98 at 25.1 min, 2/98 at 31 min, 85/15 at 31.1 min, 85/15 at 33 min
+AC$CHROMATOGRAPHY: FLOW_RATE 300 uL/min at 0 min, 650 uL/min at 25.1 min, 300 uL/min at 31.1 min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.209 min
+MS$FOCUSED_ION: BASE_PEAK 1036.5591
+MS$FOCUSED_ION: PRECURSOR_M/Z 1036.5585
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-00kr-9000000000-85d68c4967270845a759
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  994.537 C48H72N11O12- 1 994.5367 0.3
+  1001.5218 C49H69N12O11- 1 1001.5214 0.38
+  1018.5485 C49H72N13O11- 1 1018.548 0.51
+  1036.5585 C49H74N13O12- 1 1036.5585 -0.03
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  994.537 342353.7 29
+  1001.5218 220798.4 19
+  1018.5485 7760150.5 679
+  1036.5585 11404234 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED180254.txt b/Eawag/MSBNK-EAWAG-ED180254.txt
new file mode 100644
index 0000000000..34fb34a2bf
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED180254.txt
@@ -0,0 +1,66 @@
+ACCESSION: MSBNK-EAWAG-ED180254
+RECORD_TITLE: MC-RR; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], K. Thomas [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1802
+CH$NAME: MC-RR
+CH$NAME: microcystin RR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-8,15-bis[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C49H75N13O12
+CH$EXACT_MASS: 1037.565815
+CH$SMILES: O=C(N(C)C(C(N[C@H](C)C1=O)=O)=C)CC[C@H](C(O)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CCCNC(N)=N)NC([C@@H](C)[C@H](C(O)=O)NC([C@@H](N1)CCCNC(N)=N)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C49H75N13O12/c1-26(24-27(2)37(74-8)25-32-14-10-9-11-15-32)18-19-33-28(3)40(64)60-36(46(70)71)20-21-38(63)62(7)31(6)43(67)56-30(5)42(66)59-35(17-13-23-55-49(52)53)45(69)61-39(47(72)73)29(4)41(65)58-34(44(68)57-33)16-12-22-54-48(50)51/h9-11,14-15,18-19,24,27-30,33-37,39H,6,12-13,16-17,20-23,25H2,1-5,7-8H3,(H,56,67)(H,57,68)(H,58,65)(H,59,66)(H,60,64)(H,61,69)(H,70,71)(H,72,73)(H4,50,51,54)(H4,52,53,55)/b19-18+,26-24+/t27-,28-,29-,30+,33-,34-,35-,36+,37-,39+/m0/s1
+CH$LINK: CAS 111755-37-4
+CH$LINK: CHEBI 133296
+CH$LINK: KEGG C19995
+CH$LINK: PUBCHEM CID:6438357
+CH$LINK: INCHIKEY JIGDOBKZMULDHS-UUHBQKJESA-N
+CH$LINK: CHEMSPIDER 21258164
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 107-1078
+AC$CHROMATOGRAPHY: COLUMN_NAME Acwuity UPLC HSS T3 1.8um, 3x100mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 85/15 at 0 min, 0/100 at 21 min, 0/100 at 25 min, 2/98 at 25.1 min, 2/98 at 31 min, 85/15 at 31.1 min, 85/15 at 33 min
+AC$CHROMATOGRAPHY: FLOW_RATE 300 uL/min at 0 min, 650 uL/min at 25.1 min, 300 uL/min at 31.1 min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.209 min
+MS$FOCUSED_ION: BASE_PEAK 1036.5591
+MS$FOCUSED_ION: PRECURSOR_M/Z 1036.5585
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-014i-9000000000-c08f52681157d99479b8
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  128.0353 C5H6NO3- 1 128.0353 -0.09
+  326.1935 C12H28N3O7- 6 326.1933 0.83
+  354.1885 C13H28N3O8- 7 354.1882 1.02
+  774.3822 C38H50N10O8- 11 774.3819 0.44
+  924.5427 C44H70N13O9- 5 924.5425 0.23
+  959.4991 C46H65N13O10- 2 959.4983 0.86
+  976.5255 C48H70N11O11- 1 976.5262 -0.71
+  1001.5206 C49H69N12O11- 1 1001.5214 -0.78
+  1018.5486 C49H72N13O11- 1 1018.548 0.63
+  1036.5588 C49H74N13O12- 1 1036.5585 0.21
+PK$NUM_PEAK: 10
+PK$PEAK: m/z int. rel.int.
+  128.0353 394670.8 43
+  326.1935 247201.2 26
+  354.1885 96448.7 10
+  774.3822 108744.6 11
+  924.5427 368031.2 40
+  959.4991 173964.5 18
+  976.5255 566547.9 61
+  1001.5206 758173.4 82
+  1018.5486 9167649 999
+  1036.5588 2382390.2 259
+//
diff --git a/Eawag/MSBNK-EAWAG-ED180255.txt b/Eawag/MSBNK-EAWAG-ED180255.txt
new file mode 100644
index 0000000000..fb14924c22
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED180255.txt
@@ -0,0 +1,82 @@
+ACCESSION: MSBNK-EAWAG-ED180255
+RECORD_TITLE: MC-RR; LC-ESI-QFT; MS2; CE: 35%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], K. Thomas [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1802
+CH$NAME: MC-RR
+CH$NAME: microcystin RR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-8,15-bis[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C49H75N13O12
+CH$EXACT_MASS: 1037.565815
+CH$SMILES: O=C(N(C)C(C(N[C@H](C)C1=O)=O)=C)CC[C@H](C(O)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CCCNC(N)=N)NC([C@@H](C)[C@H](C(O)=O)NC([C@@H](N1)CCCNC(N)=N)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C49H75N13O12/c1-26(24-27(2)37(74-8)25-32-14-10-9-11-15-32)18-19-33-28(3)40(64)60-36(46(70)71)20-21-38(63)62(7)31(6)43(67)56-30(5)42(66)59-35(17-13-23-55-49(52)53)45(69)61-39(47(72)73)29(4)41(65)58-34(44(68)57-33)16-12-22-54-48(50)51/h9-11,14-15,18-19,24,27-30,33-37,39H,6,12-13,16-17,20-23,25H2,1-5,7-8H3,(H,56,67)(H,57,68)(H,58,65)(H,59,66)(H,60,64)(H,61,69)(H,70,71)(H,72,73)(H4,50,51,54)(H4,52,53,55)/b19-18+,26-24+/t27-,28-,29-,30+,33-,34-,35-,36+,37-,39+/m0/s1
+CH$LINK: CAS 111755-37-4
+CH$LINK: CHEBI 133296
+CH$LINK: KEGG C19995
+CH$LINK: PUBCHEM CID:6438357
+CH$LINK: INCHIKEY JIGDOBKZMULDHS-UUHBQKJESA-N
+CH$LINK: CHEMSPIDER 21258164
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 35 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 107-1078
+AC$CHROMATOGRAPHY: COLUMN_NAME Acwuity UPLC HSS T3 1.8um, 3x100mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 85/15 at 0 min, 0/100 at 21 min, 0/100 at 25 min, 2/98 at 25.1 min, 2/98 at 31 min, 85/15 at 31.1 min, 85/15 at 33 min
+AC$CHROMATOGRAPHY: FLOW_RATE 300 uL/min at 0 min, 650 uL/min at 25.1 min, 300 uL/min at 31.1 min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.209 min
+MS$FOCUSED_ION: BASE_PEAK 1036.5591
+MS$FOCUSED_ION: PRECURSOR_M/Z 1036.5585
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-016r-9301000001-c9fceb7bfd5456b3c2b1
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  113.174 H23N3O3- 1 113.1745 -4.64
+  124.0405 C6H6NO2- 1 124.0404 1.19
+  128.0353 C5H6NO3- 1 128.0353 -0.33
+  153.0665 C7H9N2O2- 1 153.067 -2.7
+  201.1346 C7H21O6- 2 201.1344 1.23
+  243.1561 C7H17N9O- 2 243.1562 -0.33
+  269.1361 C9H21N2O7- 3 269.1354 2.54
+  284.1716 C11H26NO7- 3 284.1715 0.61
+  308.1827 C11H20N10O- 6 308.1827 -0.12
+  326.1934 C12H28N3O7- 6 326.1933 0.27
+  354.1887 C13H28N3O8- 5 354.1882 1.45
+  924.5426 C44H70N13O9- 5 924.5425 0.1
+  959.4981 C46H65N13O10- 2 959.4983 -0.16
+  976.5248 C48H70N11O11- 1 976.5262 -1.46
+  1001.5221 C49H69N12O11- 1 1001.5214 0.63
+  1018.5485 C49H72N13O11- 1 1018.548 0.51
+  1019.5509 C49H73N13O11- 1 1019.5558 -4.77
+  1036.5584 C49H74N13O12- 1 1036.5585 -0.14
+PK$NUM_PEAK: 18
+PK$PEAK: m/z int. rel.int.
+  113.174 202316.9 50
+  124.0405 59438.8 14
+  128.0353 1639321.1 408
+  153.0665 51721.6 12
+  201.1346 72641.4 18
+  243.1561 99454.2 24
+  269.1361 71329.5 17
+  284.1716 177088 44
+  308.1827 184321.4 45
+  326.1934 616807.3 153
+  354.1887 185139 46
+  924.5426 187589.2 46
+  959.4981 281165.7 70
+  976.5248 538138.6 134
+  1001.5221 660979.6 164
+  1018.5485 4011215.2 999
+  1019.5509 228344.8 56
+  1036.5584 181696.7 45
+//
diff --git a/Eawag/MSBNK-EAWAG-ED180256.txt b/Eawag/MSBNK-EAWAG-ED180256.txt
new file mode 100644
index 0000000000..ee09c30734
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED180256.txt
@@ -0,0 +1,80 @@
+ACCESSION: MSBNK-EAWAG-ED180256
+RECORD_TITLE: MC-RR; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], K. Thomas [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1802
+CH$NAME: MC-RR
+CH$NAME: microcystin RR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-8,15-bis[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C49H75N13O12
+CH$EXACT_MASS: 1037.565815
+CH$SMILES: O=C(N(C)C(C(N[C@H](C)C1=O)=O)=C)CC[C@H](C(O)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CCCNC(N)=N)NC([C@@H](C)[C@H](C(O)=O)NC([C@@H](N1)CCCNC(N)=N)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C49H75N13O12/c1-26(24-27(2)37(74-8)25-32-14-10-9-11-15-32)18-19-33-28(3)40(64)60-36(46(70)71)20-21-38(63)62(7)31(6)43(67)56-30(5)42(66)59-35(17-13-23-55-49(52)53)45(69)61-39(47(72)73)29(4)41(65)58-34(44(68)57-33)16-12-22-54-48(50)51/h9-11,14-15,18-19,24,27-30,33-37,39H,6,12-13,16-17,20-23,25H2,1-5,7-8H3,(H,56,67)(H,57,68)(H,58,65)(H,59,66)(H,60,64)(H,61,69)(H,70,71)(H,72,73)(H4,50,51,54)(H4,52,53,55)/b19-18+,26-24+/t27-,28-,29-,30+,33-,34-,35-,36+,37-,39+/m0/s1
+CH$LINK: CAS 111755-37-4
+CH$LINK: CHEBI 133296
+CH$LINK: KEGG C19995
+CH$LINK: PUBCHEM CID:6438357
+CH$LINK: INCHIKEY JIGDOBKZMULDHS-UUHBQKJESA-N
+CH$LINK: CHEMSPIDER 21258164
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 107-1078
+AC$CHROMATOGRAPHY: COLUMN_NAME Acwuity UPLC HSS T3 1.8um, 3x100mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 85/15 at 0 min, 0/100 at 21 min, 0/100 at 25 min, 2/98 at 25.1 min, 2/98 at 31 min, 85/15 at 31.1 min, 85/15 at 33 min
+AC$CHROMATOGRAPHY: FLOW_RATE 300 uL/min at 0 min, 650 uL/min at 25.1 min, 300 uL/min at 31.1 min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.209 min
+MS$FOCUSED_ION: BASE_PEAK 1036.5591
+MS$FOCUSED_ION: PRECURSOR_M/Z 1036.5585
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-004i-0922000000-44832d70a9b41dc05eab
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  110.0247 C5H4NO2- 1 110.0248 -0.37
+  124.0405 C6H6NO2- 1 124.0404 0.51
+  127.0515 C5H7N2O2- 1 127.0513 1.81
+  128.0353 C5H6NO3- 1 128.0353 0.03
+  153.0667 C7H9N2O2- 1 153.067 -1.4
+  156.0779 C6H10N3O2- 1 156.0779 0.01
+  166.0984 C8H12N3O- 1 166.0986 -1.07
+  170.093 C7H12N3O2- 1 170.0935 -2.7
+  181.0612 C8H9N2O3- 2 181.0619 -3.52
+  191.0938 C9H11N4O- 1 191.0938 -0.28
+  201.1349 C7H21O6- 3 201.1344 2.67
+  231.0875 C10H15O6- 2 231.0874 0.51
+  243.156 C7H17N9O- 4 243.1562 -0.65
+  284.1719 C11H26NO7- 3 284.1715 1.36
+  308.1827 C11H20N10O- 6 308.1827 -0.02
+  326.1938 C12H28N3O7- 4 326.1933 1.49
+  1001.5232 C49H69N12O11- 1 1001.5214 1.78
+PK$NUM_PEAK: 17
+PK$PEAK: m/z int. rel.int.
+  110.0247 96992.5 57
+  124.0405 111749.9 65
+  127.0515 37904.2 22
+  128.0353 1699360.4 999
+  153.0667 103270 60
+  156.0779 31667.1 18
+  166.0984 72122 42
+  170.093 97069 57
+  181.0612 32095.6 18
+  191.0938 60252.2 35
+  201.1349 141608.7 83
+  231.0875 23816.3 14
+  243.156 121922.8 71
+  284.1719 282650.8 166
+  308.1827 230911.4 135
+  326.1938 534802.2 314
+  1001.5232 125212.8 73
+//
diff --git a/Eawag/MSBNK-EAWAG-ED180257.txt b/Eawag/MSBNK-EAWAG-ED180257.txt
new file mode 100644
index 0000000000..e22231d733
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED180257.txt
@@ -0,0 +1,86 @@
+ACCESSION: MSBNK-EAWAG-ED180257
+RECORD_TITLE: MC-RR; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], K. Thomas [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1802
+CH$NAME: MC-RR
+CH$NAME: microcystin RR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-8,15-bis[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C49H75N13O12
+CH$EXACT_MASS: 1037.565815
+CH$SMILES: O=C(N(C)C(C(N[C@H](C)C1=O)=O)=C)CC[C@H](C(O)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CCCNC(N)=N)NC([C@@H](C)[C@H](C(O)=O)NC([C@@H](N1)CCCNC(N)=N)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C49H75N13O12/c1-26(24-27(2)37(74-8)25-32-14-10-9-11-15-32)18-19-33-28(3)40(64)60-36(46(70)71)20-21-38(63)62(7)31(6)43(67)56-30(5)42(66)59-35(17-13-23-55-49(52)53)45(69)61-39(47(72)73)29(4)41(65)58-34(44(68)57-33)16-12-22-54-48(50)51/h9-11,14-15,18-19,24,27-30,33-37,39H,6,12-13,16-17,20-23,25H2,1-5,7-8H3,(H,56,67)(H,57,68)(H,58,65)(H,59,66)(H,60,64)(H,61,69)(H,70,71)(H,72,73)(H4,50,51,54)(H4,52,53,55)/b19-18+,26-24+/t27-,28-,29-,30+,33-,34-,35-,36+,37-,39+/m0/s1
+CH$LINK: CAS 111755-37-4
+CH$LINK: CHEBI 133296
+CH$LINK: KEGG C19995
+CH$LINK: PUBCHEM CID:6438357
+CH$LINK: INCHIKEY JIGDOBKZMULDHS-UUHBQKJESA-N
+CH$LINK: CHEMSPIDER 21258164
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 107-1078
+AC$CHROMATOGRAPHY: COLUMN_NAME Acwuity UPLC HSS T3 1.8um, 3x100mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 85/15 at 0 min, 0/100 at 21 min, 0/100 at 25 min, 2/98 at 25.1 min, 2/98 at 31 min, 85/15 at 31.1 min, 85/15 at 33 min
+AC$CHROMATOGRAPHY: FLOW_RATE 300 uL/min at 0 min, 650 uL/min at 25.1 min, 300 uL/min at 31.1 min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.209 min
+MS$FOCUSED_ION: BASE_PEAK 1036.5591
+MS$FOCUSED_ION: PRECURSOR_M/Z 1036.5585
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-00or-0940000000-5edbfbeee8db4e9342ec
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  110.0248 C5H4NO2- 1 110.0248 0.74
+  112.0403 C5H6NO2- 1 112.0404 -0.48
+  124.0403 C6H6NO2- 1 124.0404 -0.72
+  128.0353 C5H6NO3- 1 128.0353 0.03
+  130.0515 C5H8NO3- 1 130.051 3.92
+  130.0984 C5H12N3O- 1 130.0986 -1.68
+  140.083 C6H10N3O- 1 140.0829 0.63
+  149.0717 C8H9N2O- 1 149.072 -1.96
+  150.0558 C8H8NO2- 1 150.0561 -1.66
+  153.0668 C7H9N2O2- 1 153.067 -1.1
+  166.0981 C8H12N3O- 1 166.0986 -2.63
+  170.0929 C7H12N3O2- 2 170.0935 -3.42
+  180.1138 C9H14N3O- 1 180.1142 -2.3
+  199.1189 C7H19O6- 2 199.1187 0.79
+  201.1348 C7H21O6- 3 201.1344 2.14
+  206.0927 C8H10N6O- 2 206.0922 2.7
+  208.1196 C8H18NO5- 3 208.119 2.62
+  213.1348 C8H21O6- 3 213.1344 2.09
+  266.1608 C10H18N8O- 4 266.1609 -0.4
+  284.1715 C11H26NO7- 5 284.1715 0.07
+PK$NUM_PEAK: 20
+PK$PEAK: m/z int. rel.int.
+  110.0248 183777.2 146
+  112.0403 90411.6 72
+  124.0403 121123.4 96
+  128.0353 1252597.8 999
+  130.0515 20471.3 16
+  130.0984 109657.1 87
+  140.083 75018.6 59
+  149.0717 35784 28
+  150.0558 68511.8 54
+  153.0668 168142.3 134
+  166.0981 286482.2 228
+  170.0929 125450.9 100
+  180.1138 54178.7 43
+  199.1189 41680.4 33
+  201.1348 272358.7 217
+  206.0927 51224.9 40
+  208.1196 307337.7 245
+  213.1348 42477.6 33
+  266.1608 469151.7 374
+  284.1715 212477.6 169
+//
diff --git a/Eawag/MSBNK-EAWAG-ED180258.txt b/Eawag/MSBNK-EAWAG-ED180258.txt
new file mode 100644
index 0000000000..2ec67af6a7
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED180258.txt
@@ -0,0 +1,82 @@
+ACCESSION: MSBNK-EAWAG-ED180258
+RECORD_TITLE: MC-RR; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], K. Thomas [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1802
+CH$NAME: MC-RR
+CH$NAME: microcystin RR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-8,15-bis[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C49H75N13O12
+CH$EXACT_MASS: 1037.565815
+CH$SMILES: O=C(N(C)C(C(N[C@H](C)C1=O)=O)=C)CC[C@H](C(O)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CCCNC(N)=N)NC([C@@H](C)[C@H](C(O)=O)NC([C@@H](N1)CCCNC(N)=N)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C49H75N13O12/c1-26(24-27(2)37(74-8)25-32-14-10-9-11-15-32)18-19-33-28(3)40(64)60-36(46(70)71)20-21-38(63)62(7)31(6)43(67)56-30(5)42(66)59-35(17-13-23-55-49(52)53)45(69)61-39(47(72)73)29(4)41(65)58-34(44(68)57-33)16-12-22-54-48(50)51/h9-11,14-15,18-19,24,27-30,33-37,39H,6,12-13,16-17,20-23,25H2,1-5,7-8H3,(H,56,67)(H,57,68)(H,58,65)(H,59,66)(H,60,64)(H,61,69)(H,70,71)(H,72,73)(H4,50,51,54)(H4,52,53,55)/b19-18+,26-24+/t27-,28-,29-,30+,33-,34-,35-,36+,37-,39+/m0/s1
+CH$LINK: CAS 111755-37-4
+CH$LINK: CHEBI 133296
+CH$LINK: KEGG C19995
+CH$LINK: PUBCHEM CID:6438357
+CH$LINK: INCHIKEY JIGDOBKZMULDHS-UUHBQKJESA-N
+CH$LINK: CHEMSPIDER 21258164
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 107-1078
+AC$CHROMATOGRAPHY: COLUMN_NAME Acwuity UPLC HSS T3 1.8um, 3x100mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 85/15 at 0 min, 0/100 at 21 min, 0/100 at 25 min, 2/98 at 25.1 min, 2/98 at 31 min, 85/15 at 31.1 min, 85/15 at 33 min
+AC$CHROMATOGRAPHY: FLOW_RATE 300 uL/min at 0 min, 650 uL/min at 25.1 min, 300 uL/min at 31.1 min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.209 min
+MS$FOCUSED_ION: BASE_PEAK 1036.5591
+MS$FOCUSED_ION: PRECURSOR_M/Z 1036.5585
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-00pi-0910000000-194f12fadb63fa06d197
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  110.0248 C5H4NO2- 1 110.0248 0.88
+  111.0566 C5H7N2O- 1 111.0564 2.01
+  112.0405 C5H6NO2- 1 112.0404 1.16
+  124.0405 C6H6NO2- 1 124.0404 0.57
+  128.0353 C5H6NO3- 1 128.0353 -0.33
+  130.0985 C5H12N3O- 1 130.0986 -0.51
+  137.0719 C7H9N2O- 1 137.072 -1.35
+  140.0829 C6H10N3O- 1 140.0829 -0.24
+  149.0715 C8H9N2O- 1 149.072 -3.9
+  150.0554 C8H8NO2- 2 150.0561 -4.3
+  153.0667 C7H9N2O2- 1 153.067 -1.7
+  166.0981 C8H12N3O- 1 166.0986 -2.81
+  167.0824 C8H11N2O2- 1 167.0826 -1.1
+  170.0928 C7H12N3O2- 2 170.0935 -3.96
+  183.1246 C8H15N4O- 3 183.1251 -2.87
+  199.1193 C7H19O6- 3 199.1187 2.94
+  201.1348 C7H21O6- 3 201.1344 2.29
+  208.1195 C8H18NO5- 3 208.119 2.11
+PK$NUM_PEAK: 18
+PK$PEAK: m/z int. rel.int.
+  110.0248 208127.5 263
+  111.0566 23672.6 29
+  112.0405 81897.8 103
+  124.0405 127249 160
+  128.0353 790178.9 999
+  130.0985 161384.6 204
+  137.0719 139962.5 176
+  140.0829 117964.3 149
+  149.0715 42106.2 53
+  150.0554 59729.8 75
+  153.0667 141575.7 178
+  166.0981 428764.1 542
+  167.0824 43166.1 54
+  170.0928 90771.6 114
+  183.1246 249220 315
+  199.1193 49826.3 62
+  201.1348 227057.7 287
+  208.1195 111543.4 141
+//
diff --git a/Eawag/MSBNK-EAWAG-ED180259.txt b/Eawag/MSBNK-EAWAG-ED180259.txt
new file mode 100644
index 0000000000..3b5b57566d
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED180259.txt
@@ -0,0 +1,78 @@
+ACCESSION: MSBNK-EAWAG-ED180259
+RECORD_TITLE: MC-RR; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], K. Thomas [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1802
+CH$NAME: MC-RR
+CH$NAME: microcystin RR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-8,15-bis[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C49H75N13O12
+CH$EXACT_MASS: 1037.565815
+CH$SMILES: O=C(N(C)C(C(N[C@H](C)C1=O)=O)=C)CC[C@H](C(O)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CCCNC(N)=N)NC([C@@H](C)[C@H](C(O)=O)NC([C@@H](N1)CCCNC(N)=N)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C49H75N13O12/c1-26(24-27(2)37(74-8)25-32-14-10-9-11-15-32)18-19-33-28(3)40(64)60-36(46(70)71)20-21-38(63)62(7)31(6)43(67)56-30(5)42(66)59-35(17-13-23-55-49(52)53)45(69)61-39(47(72)73)29(4)41(65)58-34(44(68)57-33)16-12-22-54-48(50)51/h9-11,14-15,18-19,24,27-30,33-37,39H,6,12-13,16-17,20-23,25H2,1-5,7-8H3,(H,56,67)(H,57,68)(H,58,65)(H,59,66)(H,60,64)(H,61,69)(H,70,71)(H,72,73)(H4,50,51,54)(H4,52,53,55)/b19-18+,26-24+/t27-,28-,29-,30+,33-,34-,35-,36+,37-,39+/m0/s1
+CH$LINK: CAS 111755-37-4
+CH$LINK: CHEBI 133296
+CH$LINK: KEGG C19995
+CH$LINK: PUBCHEM CID:6438357
+CH$LINK: INCHIKEY JIGDOBKZMULDHS-UUHBQKJESA-N
+CH$LINK: CHEMSPIDER 21258164
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 107-1078
+AC$CHROMATOGRAPHY: COLUMN_NAME Acwuity UPLC HSS T3 1.8um, 3x100mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 85/15 at 0 min, 0/100 at 21 min, 0/100 at 25 min, 2/98 at 25.1 min, 2/98 at 31 min, 85/15 at 31.1 min, 85/15 at 33 min
+AC$CHROMATOGRAPHY: FLOW_RATE 300 uL/min at 0 min, 650 uL/min at 25.1 min, 300 uL/min at 31.1 min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.209 min
+MS$FOCUSED_ION: BASE_PEAK 1036.5591
+MS$FOCUSED_ION: PRECURSOR_M/Z 1036.5585
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0fvi-0900000000-059867dd91cfd9dca2c1
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  109.0408 C5H5N2O- 1 109.0407 0.83
+  110.0248 C5H4NO2- 1 110.0248 0.33
+  113.072 C5H9N2O- 1 113.072 -0.4
+  124.0401 C6H6NO2- 1 124.0404 -2.19
+  127.0512 C5H7N2O2- 1 127.0513 -0.72
+  128.0352 C5H6NO3- 1 128.0353 -0.57
+  130.0986 C5H12N3O- 1 130.0986 -0.16
+  137.0721 C7H9N2O- 1 137.072 0.43
+  140.083 C6H10N3O- 1 140.0829 0.41
+  150.0554 C8H8NO2- 2 150.0561 -4.3
+  153.0666 C7H9N2O2- 1 153.067 -2.3
+  156.0775 C6H10N3O2- 1 156.0779 -2.14
+  156.114 C7H14N3O- 1 156.1142 -1.52
+  166.098 C8H12N3O- 2 166.0986 -3.46
+  199.1195 C7H19O6- 3 199.1187 4.01
+  201.1351 C7H21O6- 3 201.1344 3.58
+PK$NUM_PEAK: 16
+PK$PEAK: m/z int. rel.int.
+  109.0408 38691.7 105
+  110.0248 174938.8 475
+  113.072 43366.2 117
+  124.0401 96308.1 261
+  127.0512 32864.3 89
+  128.0352 367810.8 999
+  130.0986 149373.2 405
+  137.0721 124815.4 339
+  140.083 97623.2 265
+  150.0554 43549.6 118
+  153.0666 73934.9 200
+  156.0775 50770.3 137
+  156.114 30191.6 82
+  166.098 287846.6 781
+  199.1195 23415.3 63
+  201.1351 111995.8 304
+//
diff --git a/Eawag/MSBNK-EAWAG-ED182301.txt b/Eawag/MSBNK-EAWAG-ED182301.txt
new file mode 100644
index 0000000000..3824ebe7e5
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED182301.txt
@@ -0,0 +1,48 @@
+ACCESSION: MSBNK-EAWAG-ED182301
+RECORD_TITLE: MC-LR; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], V. Rouge [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1823
+CH$NAME: MC-LR
+CH$NAME: Microcystin-LR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C49H74N10O12
+CH$EXACT_MASS: 994.5487678
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C49H74N10O12/c1-26(2)23-37-46(66)58-40(48(69)70)30(6)42(62)55-35(17-14-22-52-49(50)51)45(65)54-34(19-18-27(3)24-28(4)38(71-10)25-33-15-12-11-13-16-33)29(5)41(61)56-36(47(67)68)20-21-39(60)59(9)32(8)44(64)53-31(7)43(63)57-37/h11-13,15-16,18-19,24,26,28-31,34-38,40H,8,14,17,20-23,25H2,1-7,9-10H3,(H,53,64)(H,54,65)(H,55,62)(H,56,61)(H,57,63)(H,58,66)(H,67,68)(H,69,70)(H4,50,51,52)/b19-18+,27-24+/t28-,29-,30-,31+,34-,35-,36+,37-,38-,40+/m0/s1
+CH$LINK: CAS 101043-37-2
+CH$LINK: CHEBI 6925
+CH$LINK: KEGG C05371
+CH$LINK: PUBCHEM CID:445434
+CH$LINK: INCHIKEY ZYZCGGRZINLQBL-GWRQVWKTSA-N
+CH$LINK: CHEMSPIDER 393078
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 103-1036
+AC$CHROMATOGRAPHY: COLUMN_NAME Acwuity UPLC HSS T3 1.8um, 3x100mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 85/15 at 0 min, 0/100 at 21 min, 0/100 at 25 min, 2/98 at 25.1 min, 2/98 at 31 min, 85/15 at 31.1 min, 85/15 at 33 min
+AC$CHROMATOGRAPHY: FLOW_RATE 300 uL/min at 0 min, 650 uL/min at 25.1 min, 300 uL/min at 31.1 min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.848 min
+MS$FOCUSED_ION: BASE_PEAK 498.2791
+MS$FOCUSED_ION: PRECURSOR_M/Z 995.556
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0002-0000000009-5eab14e478ed68bd7f37
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  995.5539 C49H75N10O12+ 1 995.556 -2.15
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  995.5539 19721482 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED182302.txt b/Eawag/MSBNK-EAWAG-ED182302.txt
new file mode 100644
index 0000000000..0a6ddf2074
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED182302.txt
@@ -0,0 +1,48 @@
+ACCESSION: MSBNK-EAWAG-ED182302
+RECORD_TITLE: MC-LR; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], V. Rouge [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1823
+CH$NAME: MC-LR
+CH$NAME: Microcystin-LR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C49H74N10O12
+CH$EXACT_MASS: 994.5487678
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C49H74N10O12/c1-26(2)23-37-46(66)58-40(48(69)70)30(6)42(62)55-35(17-14-22-52-49(50)51)45(65)54-34(19-18-27(3)24-28(4)38(71-10)25-33-15-12-11-13-16-33)29(5)41(61)56-36(47(67)68)20-21-39(60)59(9)32(8)44(64)53-31(7)43(63)57-37/h11-13,15-16,18-19,24,26,28-31,34-38,40H,8,14,17,20-23,25H2,1-7,9-10H3,(H,53,64)(H,54,65)(H,55,62)(H,56,61)(H,57,63)(H,58,66)(H,67,68)(H,69,70)(H4,50,51,52)/b19-18+,27-24+/t28-,29-,30-,31+,34-,35-,36+,37-,38-,40+/m0/s1
+CH$LINK: CAS 101043-37-2
+CH$LINK: CHEBI 6925
+CH$LINK: KEGG C05371
+CH$LINK: PUBCHEM CID:445434
+CH$LINK: INCHIKEY ZYZCGGRZINLQBL-GWRQVWKTSA-N
+CH$LINK: CHEMSPIDER 393078
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 103-1036
+AC$CHROMATOGRAPHY: COLUMN_NAME Acwuity UPLC HSS T3 1.8um, 3x100mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 85/15 at 0 min, 0/100 at 21 min, 0/100 at 25 min, 2/98 at 25.1 min, 2/98 at 31 min, 85/15 at 31.1 min, 85/15 at 33 min
+AC$CHROMATOGRAPHY: FLOW_RATE 300 uL/min at 0 min, 650 uL/min at 25.1 min, 300 uL/min at 31.1 min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.848 min
+MS$FOCUSED_ION: BASE_PEAK 498.2791
+MS$FOCUSED_ION: PRECURSOR_M/Z 995.556
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0002-0000000009-6e99b0c0a1e05950375c
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  995.5544 C49H75N10O12+ 1 995.556 -1.66
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  995.5544 18873826 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED182303.txt b/Eawag/MSBNK-EAWAG-ED182303.txt
new file mode 100644
index 0000000000..11d229b41f
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED182303.txt
@@ -0,0 +1,50 @@
+ACCESSION: MSBNK-EAWAG-ED182303
+RECORD_TITLE: MC-LR; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], V. Rouge [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1823
+CH$NAME: MC-LR
+CH$NAME: Microcystin-LR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C49H74N10O12
+CH$EXACT_MASS: 994.5487678
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C49H74N10O12/c1-26(2)23-37-46(66)58-40(48(69)70)30(6)42(62)55-35(17-14-22-52-49(50)51)45(65)54-34(19-18-27(3)24-28(4)38(71-10)25-33-15-12-11-13-16-33)29(5)41(61)56-36(47(67)68)20-21-39(60)59(9)32(8)44(64)53-31(7)43(63)57-37/h11-13,15-16,18-19,24,26,28-31,34-38,40H,8,14,17,20-23,25H2,1-7,9-10H3,(H,53,64)(H,54,65)(H,55,62)(H,56,61)(H,57,63)(H,58,66)(H,67,68)(H,69,70)(H4,50,51,52)/b19-18+,27-24+/t28-,29-,30-,31+,34-,35-,36+,37-,38-,40+/m0/s1
+CH$LINK: CAS 101043-37-2
+CH$LINK: CHEBI 6925
+CH$LINK: KEGG C05371
+CH$LINK: PUBCHEM CID:445434
+CH$LINK: INCHIKEY ZYZCGGRZINLQBL-GWRQVWKTSA-N
+CH$LINK: CHEMSPIDER 393078
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 103-1036
+AC$CHROMATOGRAPHY: COLUMN_NAME Acwuity UPLC HSS T3 1.8um, 3x100mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 85/15 at 0 min, 0/100 at 21 min, 0/100 at 25 min, 2/98 at 25.1 min, 2/98 at 31 min, 85/15 at 31.1 min, 85/15 at 33 min
+AC$CHROMATOGRAPHY: FLOW_RATE 300 uL/min at 0 min, 650 uL/min at 25.1 min, 300 uL/min at 31.1 min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.848 min
+MS$FOCUSED_ION: BASE_PEAK 498.2791
+MS$FOCUSED_ION: PRECURSOR_M/Z 995.556
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0002-0000000009-7f6d76f6ad86e15816d5
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  967.5585 C48H75N10O11+ 1 967.5611 -2.7
+  995.5543 C49H75N10O12+ 1 995.556 -1.78
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  967.5585 191862.6 11
+  995.5543 17168456 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED182304.txt b/Eawag/MSBNK-EAWAG-ED182304.txt
new file mode 100644
index 0000000000..fa5d5fa1e9
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED182304.txt
@@ -0,0 +1,70 @@
+ACCESSION: MSBNK-EAWAG-ED182304
+RECORD_TITLE: MC-LR; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], V. Rouge [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1823
+CH$NAME: MC-LR
+CH$NAME: Microcystin-LR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C49H74N10O12
+CH$EXACT_MASS: 994.5487678
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C49H74N10O12/c1-26(2)23-37-46(66)58-40(48(69)70)30(6)42(62)55-35(17-14-22-52-49(50)51)45(65)54-34(19-18-27(3)24-28(4)38(71-10)25-33-15-12-11-13-16-33)29(5)41(61)56-36(47(67)68)20-21-39(60)59(9)32(8)44(64)53-31(7)43(63)57-37/h11-13,15-16,18-19,24,26,28-31,34-38,40H,8,14,17,20-23,25H2,1-7,9-10H3,(H,53,64)(H,54,65)(H,55,62)(H,56,61)(H,57,63)(H,58,66)(H,67,68)(H,69,70)(H4,50,51,52)/b19-18+,27-24+/t28-,29-,30-,31+,34-,35-,36+,37-,38-,40+/m0/s1
+CH$LINK: CAS 101043-37-2
+CH$LINK: CHEBI 6925
+CH$LINK: KEGG C05371
+CH$LINK: PUBCHEM CID:445434
+CH$LINK: INCHIKEY ZYZCGGRZINLQBL-GWRQVWKTSA-N
+CH$LINK: CHEMSPIDER 393078
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 103-1036
+AC$CHROMATOGRAPHY: COLUMN_NAME Acwuity UPLC HSS T3 1.8um, 3x100mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 85/15 at 0 min, 0/100 at 21 min, 0/100 at 25 min, 2/98 at 25.1 min, 2/98 at 31 min, 85/15 at 31.1 min, 85/15 at 33 min
+AC$CHROMATOGRAPHY: FLOW_RATE 300 uL/min at 0 min, 650 uL/min at 25.1 min, 300 uL/min at 31.1 min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.848 min
+MS$FOCUSED_ION: BASE_PEAK 498.2791
+MS$FOCUSED_ION: PRECURSOR_M/Z 995.556
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0002-0000000009-906d60cccbc4e8a9fc0c
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  135.0803 C9H11O+ 1 135.0804 -1.16
+  174.1343 C6H16N5O+ 3 174.1349 -3.66
+  213.086 C7H11N5O3+ 2 213.0856 1.61
+  285.1656 C9H19N9O2+ 4 285.1656 -0.07
+  375.1899 C18H25N5O4+ 6 375.1901 -0.57
+  570.3335 C21H46N8O10+ 9 570.3331 0.65
+  599.3534 C29H45N9O5+ 8 599.3538 -0.64
+  861.4839 C42H67N7O12+ 3 861.4842 -0.42
+  865.5265 C41H71N9O11+ 4 865.5268 -0.26
+  910.5007 C45H68N9O11+ 2 910.5033 -2.88
+  967.56 C48H75N10O11+ 1 967.5611 -1.12
+  995.5546 C49H75N10O12+ 1 995.556 -1.48
+PK$NUM_PEAK: 12
+PK$PEAK: m/z int. rel.int.
+  135.0803 159130.2 17
+  174.1343 135201.7 14
+  213.086 126564.2 13
+  285.1656 103162.3 11
+  375.1899 235282.9 25
+  570.3335 123939.4 13
+  599.3534 236410.9 25
+  861.4839 153851.5 16
+  865.5265 97467.6 10
+  910.5007 150719.2 16
+  967.56 613581.2 65
+  995.5546 9348900 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED182305.txt b/Eawag/MSBNK-EAWAG-ED182305.txt
new file mode 100644
index 0000000000..358f42e2d2
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED182305.txt
@@ -0,0 +1,106 @@
+ACCESSION: MSBNK-EAWAG-ED182305
+RECORD_TITLE: MC-LR; LC-ESI-QFT; MS2; CE: 35%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], V. Rouge [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1823
+CH$NAME: MC-LR
+CH$NAME: Microcystin-LR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C49H74N10O12
+CH$EXACT_MASS: 994.5487678
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C49H74N10O12/c1-26(2)23-37-46(66)58-40(48(69)70)30(6)42(62)55-35(17-14-22-52-49(50)51)45(65)54-34(19-18-27(3)24-28(4)38(71-10)25-33-15-12-11-13-16-33)29(5)41(61)56-36(47(67)68)20-21-39(60)59(9)32(8)44(64)53-31(7)43(63)57-37/h11-13,15-16,18-19,24,26,28-31,34-38,40H,8,14,17,20-23,25H2,1-7,9-10H3,(H,53,64)(H,54,65)(H,55,62)(H,56,61)(H,57,63)(H,58,66)(H,67,68)(H,69,70)(H4,50,51,52)/b19-18+,27-24+/t28-,29-,30-,31+,34-,35-,36+,37-,38-,40+/m0/s1
+CH$LINK: CAS 101043-37-2
+CH$LINK: CHEBI 6925
+CH$LINK: KEGG C05371
+CH$LINK: PUBCHEM CID:445434
+CH$LINK: INCHIKEY ZYZCGGRZINLQBL-GWRQVWKTSA-N
+CH$LINK: CHEMSPIDER 393078
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 35 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 103-1036
+AC$CHROMATOGRAPHY: COLUMN_NAME Acwuity UPLC HSS T3 1.8um, 3x100mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 85/15 at 0 min, 0/100 at 21 min, 0/100 at 25 min, 2/98 at 25.1 min, 2/98 at 31 min, 85/15 at 31.1 min, 85/15 at 33 min
+AC$CHROMATOGRAPHY: FLOW_RATE 300 uL/min at 0 min, 650 uL/min at 25.1 min, 300 uL/min at 31.1 min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.848 min
+MS$FOCUSED_ION: BASE_PEAK 498.2791
+MS$FOCUSED_ION: PRECURSOR_M/Z 995.556
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0002-0941020008-0adf692b2cc213cb7b19
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  105.0699 C8H9+ 1 105.0699 0.34
+  107.0854 C8H11+ 1 107.0855 -0.85
+  112.0868 C5H10N3+ 1 112.0869 -1.32
+  127.0863 C6H11N2O+ 1 127.0866 -2.25
+  135.0804 C9H11O+ 1 135.0804 -0.37
+  135.1164 C10H15+ 1 135.1168 -3.37
+  155.0813 C7H11N2O2+ 1 155.0815 -1.38
+  156.1243 C6H14N5+ 1 156.1244 -0.21
+  157.1084 C6H13N4O+ 1 157.1084 -0.13
+  158.0923 C6H12N3O2+ 1 158.0924 -0.72
+  163.1114 C11H15O+ 1 163.1117 -2.19
+  174.1347 C6H16N5O+ 1 174.1349 -1.56
+  200.1132 C6H18NO6+ 3 200.1129 1.83
+  213.086 C7H11N5O3+ 2 213.0856 1.54
+  226.117 C8H14N6O2+ 3 226.1173 -1.1
+  237.1624 C2H21N8O5+ 3 237.1629 -2.4
+  239.0651 C8H9N5O4+ 3 239.0649 0.68
+  240.1433 C8H16N8O+ 3 240.1442 -3.61
+  244.1287 C10H18N3O4+ 2 244.1292 -2.16
+  282.1842 C17H22N4+ 5 282.1839 0.95
+  285.1656 C9H19N9O2+ 4 285.1656 -0.07
+  375.1894 C18H25N5O4+ 4 375.1901 -1.79
+  382.2065 C15H26N8O4+ 3 382.2072 -1.63
+  552.3237 C23H46N5O10+ 8 552.3239 -0.35
+  553.3076 C36H37N6+ 9 553.3074 0.23
+  570.3335 C21H46N8O10+ 9 570.3331 0.55
+  599.3536 C29H45N9O5+ 10 599.3538 -0.33
+  923.5715 C47H75N10O9+ 1 923.5713 0.19
+  967.561 C48H75N10O11+ 1 967.5611 -0.17
+  995.5552 C49H75N10O12+ 1 995.556 -0.8
+PK$NUM_PEAK: 30
+PK$PEAK: m/z int. rel.int.
+  105.0699 55941.6 31
+  107.0854 191282.2 106
+  112.0868 150588.2 84
+  127.0863 137347.9 76
+  135.0804 607670.9 339
+  135.1164 221549.6 123
+  155.0813 207343 115
+  156.1243 86800.1 48
+  157.1084 173566.5 96
+  158.0923 31069.7 17
+  163.1114 243468 135
+  174.1347 252723.3 140
+  200.1132 153416.1 85
+  213.086 387406.4 216
+  226.117 51637.2 28
+  237.1624 53805.4 30
+  239.0651 71033.6 39
+  240.1433 42496.3 23
+  244.1287 86209.6 48
+  282.1842 27525.5 15
+  285.1656 182058 101
+  375.1894 298787.2 166
+  382.2065 86610.8 48
+  552.3237 123225.4 68
+  553.3076 209289.2 116
+  570.3335 124132.9 69
+  599.3536 165385.5 92
+  923.5715 150713.5 84
+  967.561 360216.1 200
+  995.5552 1790623.4 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED182306.txt b/Eawag/MSBNK-EAWAG-ED182306.txt
new file mode 100644
index 0000000000..410d0a0e45
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED182306.txt
@@ -0,0 +1,110 @@
+ACCESSION: MSBNK-EAWAG-ED182306
+RECORD_TITLE: MC-LR; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], V. Rouge [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1823
+CH$NAME: MC-LR
+CH$NAME: Microcystin-LR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C49H74N10O12
+CH$EXACT_MASS: 994.5487678
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C49H74N10O12/c1-26(2)23-37-46(66)58-40(48(69)70)30(6)42(62)55-35(17-14-22-52-49(50)51)45(65)54-34(19-18-27(3)24-28(4)38(71-10)25-33-15-12-11-13-16-33)29(5)41(61)56-36(47(67)68)20-21-39(60)59(9)32(8)44(64)53-31(7)43(63)57-37/h11-13,15-16,18-19,24,26,28-31,34-38,40H,8,14,17,20-23,25H2,1-7,9-10H3,(H,53,64)(H,54,65)(H,55,62)(H,56,61)(H,57,63)(H,58,66)(H,67,68)(H,69,70)(H4,50,51,52)/b19-18+,27-24+/t28-,29-,30-,31+,34-,35-,36+,37-,38-,40+/m0/s1
+CH$LINK: CAS 101043-37-2
+CH$LINK: CHEBI 6925
+CH$LINK: KEGG C05371
+CH$LINK: PUBCHEM CID:445434
+CH$LINK: INCHIKEY ZYZCGGRZINLQBL-GWRQVWKTSA-N
+CH$LINK: CHEMSPIDER 393078
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 103-1036
+AC$CHROMATOGRAPHY: COLUMN_NAME Acwuity UPLC HSS T3 1.8um, 3x100mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 85/15 at 0 min, 0/100 at 21 min, 0/100 at 25 min, 2/98 at 25.1 min, 2/98 at 31 min, 85/15 at 31.1 min, 85/15 at 33 min
+AC$CHROMATOGRAPHY: FLOW_RATE 300 uL/min at 0 min, 650 uL/min at 25.1 min, 300 uL/min at 31.1 min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.848 min
+MS$FOCUSED_ION: BASE_PEAK 498.2791
+MS$FOCUSED_ION: PRECURSOR_M/Z 995.556
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-06ri-0920000000-15d20675760abb417d46
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  105.0699 C8H9+ 1 105.0699 0.2
+  107.0855 C8H11+ 1 107.0855 -0.5
+  112.0868 C5H10N3+ 1 112.0869 -0.78
+  113.071 C5H9N2O+ 1 113.0709 0.22
+  115.0865 C5H11N2O+ 1 115.0866 -0.7
+  127.0864 C6H11N2O+ 1 127.0866 -1.17
+  135.0803 C9H11O+ 1 135.0804 -0.71
+  135.1166 C10H15+ 1 135.1168 -2.01
+  138.0548 C7H8NO2+ 1 138.055 -1.24
+  155.0813 C7H11N2O2+ 1 155.0815 -1.48
+  156.1242 C6H14N5+ 1 156.1244 -0.8
+  157.1082 C6H13N4O+ 1 157.1084 -1.1
+  158.0921 C6H12N3O2+ 1 158.0924 -1.78
+  163.1115 C11H15O+ 1 163.1117 -1.53
+  167.0812 C8H11N2O2+ 1 167.0815 -1.99
+  174.1346 C6H16N5O+ 1 174.1349 -2.08
+  175.1184 C6H15N4O2+ 3 175.119 -3.43
+  195.0754 C7H9N5O2+ 1 195.0751 1.56
+  200.1133 C6H18NO6+ 3 200.1129 2.36
+  213.086 C7H11N5O3+ 2 213.0856 1.61
+  218.1529 C12H18N4+ 2 218.1526 1.4
+  225.1332 C8H15N7O+ 2 225.1333 -0.24
+  246.1475 C13H18N4O+ 2 246.1475 0
+  257.1695 C7H23N5O5+ 3 257.1694 0.48
+  265.1575 C17H19N3+ 5 265.1573 0.51
+  269.123 C9H15N7O3+ 4 269.1231 -0.35
+  285.1657 C10H25N2O7+ 4 285.1656 0.13
+  286.1489 C8H22N4O7+ 3 286.1483 2.12
+  375.1903 C18H25N5O4+ 7 375.1901 0.57
+  552.3242 C23H46N5O10+ 9 552.3239 0.53
+  553.3071 C36H37N6+ 9 553.3074 -0.54
+  838.5153 C40H70N8O11+ 4 838.5159 -0.72
+PK$NUM_PEAK: 32
+PK$PEAK: m/z int. rel.int.
+  105.0699 106238.9 106
+  107.0855 362675.7 363
+  112.0868 239802.4 240
+  113.071 44920 45
+  115.0865 111746.1 112
+  127.0864 294280 295
+  135.0803 996012.1 999
+  135.1166 370541.8 371
+  138.0548 51937.3 52
+  155.0813 349475.4 350
+  156.1242 72330.8 72
+  157.1082 221520 222
+  158.0921 43498 43
+  163.1115 342719.5 343
+  167.0812 67460.9 67
+  174.1346 276103 276
+  175.1184 39584.9 39
+  195.0754 85638.1 85
+  200.1133 255668.6 256
+  213.086 469416.2 470
+  218.1529 50001.8 50
+  225.1332 42268.1 42
+  246.1475 76572.9 76
+  257.1695 18798.5 18
+  265.1575 35009.1 35
+  269.123 151632.1 152
+  285.1657 143874.8 144
+  286.1489 115285.3 115
+  375.1903 185064.2 185
+  552.3242 48400.9 48
+  553.3071 78758.5 78
+  838.5153 36158.6 36
+//
diff --git a/Eawag/MSBNK-EAWAG-ED182307.txt b/Eawag/MSBNK-EAWAG-ED182307.txt
new file mode 100644
index 0000000000..d18deded12
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED182307.txt
@@ -0,0 +1,110 @@
+ACCESSION: MSBNK-EAWAG-ED182307
+RECORD_TITLE: MC-LR; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], V. Rouge [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1823
+CH$NAME: MC-LR
+CH$NAME: Microcystin-LR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C49H74N10O12
+CH$EXACT_MASS: 994.5487678
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C49H74N10O12/c1-26(2)23-37-46(66)58-40(48(69)70)30(6)42(62)55-35(17-14-22-52-49(50)51)45(65)54-34(19-18-27(3)24-28(4)38(71-10)25-33-15-12-11-13-16-33)29(5)41(61)56-36(47(67)68)20-21-39(60)59(9)32(8)44(64)53-31(7)43(63)57-37/h11-13,15-16,18-19,24,26,28-31,34-38,40H,8,14,17,20-23,25H2,1-7,9-10H3,(H,53,64)(H,54,65)(H,55,62)(H,56,61)(H,57,63)(H,58,66)(H,67,68)(H,69,70)(H4,50,51,52)/b19-18+,27-24+/t28-,29-,30-,31+,34-,35-,36+,37-,38-,40+/m0/s1
+CH$LINK: CAS 101043-37-2
+CH$LINK: CHEBI 6925
+CH$LINK: KEGG C05371
+CH$LINK: PUBCHEM CID:445434
+CH$LINK: INCHIKEY ZYZCGGRZINLQBL-GWRQVWKTSA-N
+CH$LINK: CHEMSPIDER 393078
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 103-1036
+AC$CHROMATOGRAPHY: COLUMN_NAME Acwuity UPLC HSS T3 1.8um, 3x100mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 85/15 at 0 min, 0/100 at 21 min, 0/100 at 25 min, 2/98 at 25.1 min, 2/98 at 31 min, 85/15 at 31.1 min, 85/15 at 33 min
+AC$CHROMATOGRAPHY: FLOW_RATE 300 uL/min at 0 min, 650 uL/min at 25.1 min, 300 uL/min at 31.1 min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.848 min
+MS$FOCUSED_ION: BASE_PEAK 498.2791
+MS$FOCUSED_ION: PRECURSOR_M/Z 995.556
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-06ri-0910000000-21adb6e5e63aa29da72c
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  105.0698 C8H9+ 1 105.0699 -0.96
+  107.0854 C8H11+ 1 107.0855 -1
+  112.0869 C5H10N3+ 1 112.0869 -0.44
+  113.0708 C5H9N2O+ 1 113.0709 -0.86
+  114.1027 C5H12N3+ 1 114.1026 0.84
+  115.054 C9H7+ 1 115.0542 -1.97
+  115.0865 C5H11N2O+ 1 115.0866 -0.83
+  117.0697 C9H9+ 1 117.0699 -1.1
+  120.0809 C8H10N+ 1 120.0808 1.1
+  127.0864 C6H11N2O+ 1 127.0866 -1.41
+  135.0803 C9H11O+ 1 135.0804 -0.71
+  135.1165 C10H15+ 1 135.1168 -2.13
+  138.0549 C7H8NO2+ 1 138.055 -0.58
+  140.0818 C6H10N3O+ 1 140.0818 -0.2
+  141.0659 C6H9N2O2+ 1 141.0659 0.59
+  155.0812 C7H11N2O2+ 1 155.0815 -1.97
+  157.1082 C6H13N4O+ 1 157.1084 -1.39
+  161.0955 C11H13O+ 2 161.0961 -3.89
+  163.1114 C11H15O+ 1 163.1117 -2.19
+  167.081 C8H11N2O2+ 1 167.0815 -2.91
+  174.1345 C6H16N5O+ 1 174.1349 -2.52
+  175.1187 C6H15N4O2+ 1 175.119 -1.68
+  182.1032 C7H12N5O+ 3 182.1036 -2.47
+  183.0872 C7H11N4O2+ 3 183.0877 -2.42
+  195.0757 C7H9N5O2+ 2 195.0751 3.21
+  200.1132 C6H18NO6+ 2 200.1129 1.53
+  201.0971 C6H17O7+ 2 201.0969 0.87
+  213.0859 C7H11N5O3+ 2 213.0856 1.32
+  225.1329 C8H15N7O+ 4 225.1333 -1.73
+  226.1172 C8H14N6O2+ 1 226.1173 -0.43
+  239.0662 C9H5N9+ 2 239.0662 -0.38
+  269.1227 C9H15N7O3+ 4 269.1231 -1.26
+PK$NUM_PEAK: 32
+PK$PEAK: m/z int. rel.int.
+  105.0698 322815.9 276
+  107.0854 552065.4 473
+  112.0869 237427 203
+  113.0708 45920.5 39
+  114.1027 42629.7 36
+  115.054 46806.8 40
+  115.0865 163203.2 139
+  117.0697 154543.6 132
+  120.0809 36515.5 31
+  127.0864 580304 497
+  135.0803 1165607.5 999
+  135.1165 408916.9 350
+  138.0549 53917.2 46
+  140.0818 97268.4 83
+  141.0659 85953.3 73
+  155.0812 333688.8 285
+  157.1082 182582.2 156
+  161.0955 25155.2 21
+  163.1114 204942.9 175
+  167.081 101238.7 86
+  174.1345 98252.6 84
+  175.1187 33106 28
+  182.1032 38113.9 32
+  183.0872 59209.5 50
+  195.0757 93362.3 80
+  200.1132 183817.1 157
+  201.0971 76325 65
+  213.0859 417689.7 357
+  225.1329 30912.2 26
+  226.1172 83683.7 71
+  239.0662 85632.9 73
+  269.1227 50762.2 43
+//
diff --git a/Eawag/MSBNK-EAWAG-ED182308.txt b/Eawag/MSBNK-EAWAG-ED182308.txt
new file mode 100644
index 0000000000..b19555850b
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED182308.txt
@@ -0,0 +1,104 @@
+ACCESSION: MSBNK-EAWAG-ED182308
+RECORD_TITLE: MC-LR; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], V. Rouge [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1823
+CH$NAME: MC-LR
+CH$NAME: Microcystin-LR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C49H74N10O12
+CH$EXACT_MASS: 994.5487678
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C49H74N10O12/c1-26(2)23-37-46(66)58-40(48(69)70)30(6)42(62)55-35(17-14-22-52-49(50)51)45(65)54-34(19-18-27(3)24-28(4)38(71-10)25-33-15-12-11-13-16-33)29(5)41(61)56-36(47(67)68)20-21-39(60)59(9)32(8)44(64)53-31(7)43(63)57-37/h11-13,15-16,18-19,24,26,28-31,34-38,40H,8,14,17,20-23,25H2,1-7,9-10H3,(H,53,64)(H,54,65)(H,55,62)(H,56,61)(H,57,63)(H,58,66)(H,67,68)(H,69,70)(H4,50,51,52)/b19-18+,27-24+/t28-,29-,30-,31+,34-,35-,36+,37-,38-,40+/m0/s1
+CH$LINK: CAS 101043-37-2
+CH$LINK: CHEBI 6925
+CH$LINK: KEGG C05371
+CH$LINK: PUBCHEM CID:445434
+CH$LINK: INCHIKEY ZYZCGGRZINLQBL-GWRQVWKTSA-N
+CH$LINK: CHEMSPIDER 393078
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 103-1036
+AC$CHROMATOGRAPHY: COLUMN_NAME Acwuity UPLC HSS T3 1.8um, 3x100mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 85/15 at 0 min, 0/100 at 21 min, 0/100 at 25 min, 2/98 at 25.1 min, 2/98 at 31 min, 85/15 at 31.1 min, 85/15 at 33 min
+AC$CHROMATOGRAPHY: FLOW_RATE 300 uL/min at 0 min, 650 uL/min at 25.1 min, 300 uL/min at 31.1 min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.848 min
+MS$FOCUSED_ION: BASE_PEAK 498.2791
+MS$FOCUSED_ION: PRECURSOR_M/Z 995.556
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0a70-0900000000-5b2fd759352e06885ca7
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  105.0697 C8H9+ 1 105.0699 -1.47
+  107.0854 C8H11+ 1 107.0855 -1
+  112.0869 C5H10N3+ 1 112.0869 -0.44
+  114.1024 C5H12N3+ 1 114.1026 -1.37
+  115.0542 C9H7+ 1 115.0542 -0.24
+  115.0865 C5H11N2O+ 1 115.0866 -0.9
+  117.0698 C9H9+ 1 117.0699 -0.78
+  120.0808 C8H10N+ 1 120.0808 0.27
+  127.0864 C6H11N2O+ 1 127.0866 -1.71
+  130.05 C5H8NO3+ 1 130.0499 1.34
+  133.1015 C10H13+ 1 133.1012 2.37
+  135.0803 C9H11O+ 1 135.0804 -1.05
+  135.1164 C10H15+ 1 135.1168 -2.92
+  138.055 C7H8NO2+ 1 138.055 0.53
+  140.0818 C6H10N3O+ 1 140.0818 -0.2
+  141.0655 C6H9N2O2+ 1 141.0659 -2.22
+  145.101 C11H13+ 1 145.1012 -0.9
+  155.081 C7H11N2O2+ 1 155.0815 -3.55
+  157.1081 C6H13N4O+ 1 157.1084 -1.97
+  163.1116 C11H15O+ 1 163.1117 -1.07
+  167.0811 C8H11N2O2+ 1 167.0815 -2.54
+  174.1347 C6H16N5O+ 1 174.1349 -1.38
+  181.1328 C10H17N2O+ 2 181.1335 -3.97
+  182.1031 C7H12N5O+ 3 182.1036 -3.05
+  183.087 C7H11N4O2+ 3 183.0877 -3.58
+  195.0755 C7H9N5O2+ 2 195.0751 2.03
+  200.1133 C6H18NO6+ 3 200.1129 2.14
+  213.0859 C7H11N5O3+ 1 213.0856 1.18
+  239.0651 C8H9N5O4+ 3 239.0649 0.87
+PK$NUM_PEAK: 29
+PK$PEAK: m/z int. rel.int.
+  105.0697 489012.4 555
+  107.0854 618859.8 703
+  112.0869 241980 274
+  114.1024 48711.5 55
+  115.0542 107829 122
+  115.0865 153322.8 174
+  117.0698 224481.2 255
+  120.0808 34749 39
+  127.0864 703102.7 798
+  130.05 35181.8 39
+  133.1015 13660.5 15
+  135.0803 879125.8 999
+  135.1164 261131.3 296
+  138.055 54854.8 62
+  140.0818 75580.3 85
+  141.0655 134323.6 152
+  145.101 31058.4 35
+  155.081 159938.9 181
+  157.1081 85897.4 97
+  163.1116 78251.6 88
+  167.0811 144699.2 164
+  174.1347 32073.5 36
+  181.1328 14639.5 16
+  182.1031 35023.2 39
+  183.087 41296 46
+  195.0755 94967.4 107
+  200.1133 76608.6 87
+  213.0859 195922.1 222
+  239.0651 46038.9 52
+//
diff --git a/Eawag/MSBNK-EAWAG-ED182309.txt b/Eawag/MSBNK-EAWAG-ED182309.txt
new file mode 100644
index 0000000000..524c3bd671
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED182309.txt
@@ -0,0 +1,76 @@
+ACCESSION: MSBNK-EAWAG-ED182309
+RECORD_TITLE: MC-LR; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], V. Rouge [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1823
+CH$NAME: MC-LR
+CH$NAME: Microcystin-LR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C49H74N10O12
+CH$EXACT_MASS: 994.5487678
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C49H74N10O12/c1-26(2)23-37-46(66)58-40(48(69)70)30(6)42(62)55-35(17-14-22-52-49(50)51)45(65)54-34(19-18-27(3)24-28(4)38(71-10)25-33-15-12-11-13-16-33)29(5)41(61)56-36(47(67)68)20-21-39(60)59(9)32(8)44(64)53-31(7)43(63)57-37/h11-13,15-16,18-19,24,26,28-31,34-38,40H,8,14,17,20-23,25H2,1-7,9-10H3,(H,53,64)(H,54,65)(H,55,62)(H,56,61)(H,57,63)(H,58,66)(H,67,68)(H,69,70)(H4,50,51,52)/b19-18+,27-24+/t28-,29-,30-,31+,34-,35-,36+,37-,38-,40+/m0/s1
+CH$LINK: CAS 101043-37-2
+CH$LINK: CHEBI 6925
+CH$LINK: KEGG C05371
+CH$LINK: PUBCHEM CID:445434
+CH$LINK: INCHIKEY ZYZCGGRZINLQBL-GWRQVWKTSA-N
+CH$LINK: CHEMSPIDER 393078
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 103-1036
+AC$CHROMATOGRAPHY: COLUMN_NAME Acwuity UPLC HSS T3 1.8um, 3x100mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 85/15 at 0 min, 0/100 at 21 min, 0/100 at 25 min, 2/98 at 25.1 min, 2/98 at 31 min, 85/15 at 31.1 min, 85/15 at 33 min
+AC$CHROMATOGRAPHY: FLOW_RATE 300 uL/min at 0 min, 650 uL/min at 25.1 min, 300 uL/min at 31.1 min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.848 min
+MS$FOCUSED_ION: BASE_PEAK 498.2791
+MS$FOCUSED_ION: PRECURSOR_M/Z 995.556
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0a70-0900000000-7784df132546a5b7b341
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  105.0697 C8H9+ 1 105.0699 -1.47
+  107.0854 C8H11+ 1 107.0855 -1.21
+  112.0868 C5H10N3+ 1 112.0869 -1.19
+  114.1028 C5H12N3+ 1 114.1026 2.37
+  115.0542 C9H7+ 1 115.0542 -0.51
+  115.0864 C5H11N2O+ 1 115.0866 -2.02
+  117.0697 C9H9+ 1 117.0699 -1.62
+  119.0852 C9H11+ 1 119.0855 -2.74
+  127.0864 C6H11N2O+ 1 127.0866 -1.77
+  135.0803 C9H11O+ 1 135.0804 -1.05
+  135.1165 C10H15+ 1 135.1168 -2.69
+  141.0656 C6H9N2O2+ 1 141.0659 -1.68
+  157.1078 C6H13N4O+ 3 157.1084 -3.62
+  167.0811 C8H11N2O2+ 1 167.0815 -2.27
+  213.0861 C7H11N5O3+ 2 213.0856 2.18
+PK$NUM_PEAK: 15
+PK$PEAK: m/z int. rel.int.
+  105.0697 588912.2 885
+  107.0854 535045.1 804
+  112.0868 178344.9 268
+  114.1028 35413.6 53
+  115.0542 131001 196
+  115.0864 105005.5 157
+  117.0697 215888.8 324
+  119.0852 41417.4 62
+  127.0864 664705.2 999
+  135.0803 431713.8 648
+  135.1165 141938.6 213
+  141.0656 116812.6 175
+  157.1078 39303.5 59
+  167.0811 130071.2 195
+  213.0861 69538.5 104
+//
diff --git a/Eawag/MSBNK-EAWAG-ED182351.txt b/Eawag/MSBNK-EAWAG-ED182351.txt
new file mode 100644
index 0000000000..adae50a855
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED182351.txt
@@ -0,0 +1,51 @@
+ACCESSION: MSBNK-EAWAG-ED182351
+RECORD_TITLE: MC-LR; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], K. Thomas [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.4224/crm.2013.mclr.20070131
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1823
+CH$NAME: MC-LR
+CH$NAME: Microcystin-LR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C49H74N10O12
+CH$EXACT_MASS: 994.5487678
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C49H74N10O12/c1-26(2)23-37-46(66)58-40(48(69)70)30(6)42(62)55-35(17-14-22-52-49(50)51)45(65)54-34(19-18-27(3)24-28(4)38(71-10)25-33-15-12-11-13-16-33)29(5)41(61)56-36(47(67)68)20-21-39(60)59(9)32(8)44(64)53-31(7)43(63)57-37/h11-13,15-16,18-19,24,26,28-31,34-38,40H,8,14,17,20-23,25H2,1-7,9-10H3,(H,53,64)(H,54,65)(H,55,62)(H,56,61)(H,57,63)(H,58,66)(H,67,68)(H,69,70)(H4,50,51,52)/b19-18+,27-24+/t28-,29-,30-,31+,34-,35-,36+,37-,38-,40+/m0/s1
+CH$LINK: CAS 101043-37-2
+CH$LINK: CHEBI 6925
+CH$LINK: KEGG C05371
+CH$LINK: PUBCHEM CID:445434
+CH$LINK: INCHIKEY ZYZCGGRZINLQBL-GWRQVWKTSA-N
+CH$LINK: CHEMSPIDER 393078
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 103-1034
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 15.079 min
+MS$FOCUSED_ION: BASE_PEAK 993.5431
+MS$FOCUSED_ION: PRECURSOR_M/Z 993.5415
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0006-0000000009-cbedc13d312deb88c187
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  975.5306 C49H71N10O11- 1 975.5309 -0.35
+  993.5416 C49H73N10O12- 1 993.5415 0.12
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  975.5306 1246256.4 14
+  993.5416 83023904 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED182352.txt b/Eawag/MSBNK-EAWAG-ED182352.txt
new file mode 100644
index 0000000000..f31b9f7703
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED182352.txt
@@ -0,0 +1,51 @@
+ACCESSION: MSBNK-EAWAG-ED182352
+RECORD_TITLE: MC-LR; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], K. Thomas [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.4224/crm.2013.mclr.20070131
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1823
+CH$NAME: MC-LR
+CH$NAME: Microcystin-LR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C49H74N10O12
+CH$EXACT_MASS: 994.5487678
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C49H74N10O12/c1-26(2)23-37-46(66)58-40(48(69)70)30(6)42(62)55-35(17-14-22-52-49(50)51)45(65)54-34(19-18-27(3)24-28(4)38(71-10)25-33-15-12-11-13-16-33)29(5)41(61)56-36(47(67)68)20-21-39(60)59(9)32(8)44(64)53-31(7)43(63)57-37/h11-13,15-16,18-19,24,26,28-31,34-38,40H,8,14,17,20-23,25H2,1-7,9-10H3,(H,53,64)(H,54,65)(H,55,62)(H,56,61)(H,57,63)(H,58,66)(H,67,68)(H,69,70)(H4,50,51,52)/b19-18+,27-24+/t28-,29-,30-,31+,34-,35-,36+,37-,38-,40+/m0/s1
+CH$LINK: CAS 101043-37-2
+CH$LINK: CHEBI 6925
+CH$LINK: KEGG C05371
+CH$LINK: PUBCHEM CID:445434
+CH$LINK: INCHIKEY ZYZCGGRZINLQBL-GWRQVWKTSA-N
+CH$LINK: CHEMSPIDER 393078
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 103-1034
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 15.079 min
+MS$FOCUSED_ION: BASE_PEAK 993.5431
+MS$FOCUSED_ION: PRECURSOR_M/Z 993.5415
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0006-0000000009-e6645ba8eb4a0275c2a9
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  975.5314 C49H71N10O11- 1 975.5309 0.46
+  993.5419 C49H73N10O12- 1 993.5415 0.43
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  975.5314 8944438 131
+  993.5419 67859736 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED182353.txt b/Eawag/MSBNK-EAWAG-ED182353.txt
new file mode 100644
index 0000000000..6c1d6c80e8
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED182353.txt
@@ -0,0 +1,57 @@
+ACCESSION: MSBNK-EAWAG-ED182353
+RECORD_TITLE: MC-LR; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], K. Thomas [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.4224/crm.2013.mclr.20070131
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1823
+CH$NAME: MC-LR
+CH$NAME: Microcystin-LR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C49H74N10O12
+CH$EXACT_MASS: 994.5487678
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C49H74N10O12/c1-26(2)23-37-46(66)58-40(48(69)70)30(6)42(62)55-35(17-14-22-52-49(50)51)45(65)54-34(19-18-27(3)24-28(4)38(71-10)25-33-15-12-11-13-16-33)29(5)41(61)56-36(47(67)68)20-21-39(60)59(9)32(8)44(64)53-31(7)43(63)57-37/h11-13,15-16,18-19,24,26,28-31,34-38,40H,8,14,17,20-23,25H2,1-7,9-10H3,(H,53,64)(H,54,65)(H,55,62)(H,56,61)(H,57,63)(H,58,66)(H,67,68)(H,69,70)(H4,50,51,52)/b19-18+,27-24+/t28-,29-,30-,31+,34-,35-,36+,37-,38-,40+/m0/s1
+CH$LINK: CAS 101043-37-2
+CH$LINK: CHEBI 6925
+CH$LINK: KEGG C05371
+CH$LINK: PUBCHEM CID:445434
+CH$LINK: INCHIKEY ZYZCGGRZINLQBL-GWRQVWKTSA-N
+CH$LINK: CHEMSPIDER 393078
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 103-1034
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 15.079 min
+MS$FOCUSED_ION: BASE_PEAK 993.5431
+MS$FOCUSED_ION: PRECURSOR_M/Z 993.5415
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-002f-0000000009-0632a8360102a9bda392
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  881.5266 C44H69N10O9- 5 881.5254 1.34
+  949.5528 C48H73N10O10- 1 949.5517 1.19
+  958.505 C49H68N9O11- 1 958.5044 0.61
+  975.5313 C49H71N10O11- 1 975.5309 0.4
+  993.5416 C49H73N10O12- 1 993.5415 0.06
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  881.5266 725605.8 17
+  949.5528 437593.6 10
+  958.505 528038.6 12
+  975.5313 34433876 815
+  993.5416 42190388 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED182354.txt b/Eawag/MSBNK-EAWAG-ED182354.txt
new file mode 100644
index 0000000000..34855d1009
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED182354.txt
@@ -0,0 +1,71 @@
+ACCESSION: MSBNK-EAWAG-ED182354
+RECORD_TITLE: MC-LR; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], K. Thomas [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.4224/crm.2013.mclr.20070131
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1823
+CH$NAME: MC-LR
+CH$NAME: Microcystin-LR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C49H74N10O12
+CH$EXACT_MASS: 994.5487678
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C49H74N10O12/c1-26(2)23-37-46(66)58-40(48(69)70)30(6)42(62)55-35(17-14-22-52-49(50)51)45(65)54-34(19-18-27(3)24-28(4)38(71-10)25-33-15-12-11-13-16-33)29(5)41(61)56-36(47(67)68)20-21-39(60)59(9)32(8)44(64)53-31(7)43(63)57-37/h11-13,15-16,18-19,24,26,28-31,34-38,40H,8,14,17,20-23,25H2,1-7,9-10H3,(H,53,64)(H,54,65)(H,55,62)(H,56,61)(H,57,63)(H,58,66)(H,67,68)(H,69,70)(H4,50,51,52)/b19-18+,27-24+/t28-,29-,30-,31+,34-,35-,36+,37-,38-,40+/m0/s1
+CH$LINK: CAS 101043-37-2
+CH$LINK: CHEBI 6925
+CH$LINK: KEGG C05371
+CH$LINK: PUBCHEM CID:445434
+CH$LINK: INCHIKEY ZYZCGGRZINLQBL-GWRQVWKTSA-N
+CH$LINK: CHEMSPIDER 393078
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 103-1034
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 15.079 min
+MS$FOCUSED_ION: BASE_PEAK 993.5431
+MS$FOCUSED_ION: PRECURSOR_M/Z 993.5415
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-004i-0000000009-8ee4fe7856b398b9a3d7
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  128.0353 C5H6NO3- 1 128.0353 -0.28
+  283.1766 C12H27O7- 3 283.1762 1.21
+  311.172 C14H23N4O4- 4 311.1725 -1.44
+  580.3135 C45H40- 8 580.3135 -0.13
+  774.3823 C38H50N10O8- 8 774.3819 0.59
+  881.5255 C44H69N10O9- 5 881.5254 0.1
+  933.5087 C48H69N8O11- 1 933.5091 -0.41
+  949.5524 C48H73N10O10- 1 949.5517 0.74
+  957.521 C49H69N10O10- 1 957.5204 0.62
+  958.5048 C49H68N9O11- 1 958.5044 0.42
+  975.5316 C49H71N10O11- 1 975.5309 0.65
+  993.5415 C49H73N10O12- 1 993.5415 0
+PK$NUM_PEAK: 12
+PK$PEAK: m/z int. rel.int.
+  128.0353 2827701.8 66
+  283.1766 1157388.8 27
+  311.172 458460.5 10
+  580.3135 723247.1 16
+  774.3823 614678.8 14
+  881.5255 1431490.8 33
+  933.5087 686698.8 16
+  949.5524 977457.1 22
+  957.521 473491.5 11
+  958.5048 1378682.9 32
+  975.5316 42646724 999
+  993.5415 9553235 223
+//
diff --git a/Eawag/MSBNK-EAWAG-ED182355.txt b/Eawag/MSBNK-EAWAG-ED182355.txt
new file mode 100644
index 0000000000..0e8fc9e0bb
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED182355.txt
@@ -0,0 +1,107 @@
+ACCESSION: MSBNK-EAWAG-ED182355
+RECORD_TITLE: MC-LR; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], K. Thomas [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.4224/crm.2013.mclr.20070131
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1823
+CH$NAME: MC-LR
+CH$NAME: Microcystin-LR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C49H74N10O12
+CH$EXACT_MASS: 994.5487678
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C49H74N10O12/c1-26(2)23-37-46(66)58-40(48(69)70)30(6)42(62)55-35(17-14-22-52-49(50)51)45(65)54-34(19-18-27(3)24-28(4)38(71-10)25-33-15-12-11-13-16-33)29(5)41(61)56-36(47(67)68)20-21-39(60)59(9)32(8)44(64)53-31(7)43(63)57-37/h11-13,15-16,18-19,24,26,28-31,34-38,40H,8,14,17,20-23,25H2,1-7,9-10H3,(H,53,64)(H,54,65)(H,55,62)(H,56,61)(H,57,63)(H,58,66)(H,67,68)(H,69,70)(H4,50,51,52)/b19-18+,27-24+/t28-,29-,30-,31+,34-,35-,36+,37-,38-,40+/m0/s1
+CH$LINK: CAS 101043-37-2
+CH$LINK: CHEBI 6925
+CH$LINK: KEGG C05371
+CH$LINK: PUBCHEM CID:445434
+CH$LINK: INCHIKEY ZYZCGGRZINLQBL-GWRQVWKTSA-N
+CH$LINK: CHEMSPIDER 393078
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 103-1034
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 15.079 min
+MS$FOCUSED_ION: BASE_PEAK 993.5431
+MS$FOCUSED_ION: PRECURSOR_M/Z 993.5415
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-004i-0950000001-54beadcca166821dd7e9
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  110.0248 C5H4NO2- 1 110.0248 0.34
+  112.0404 C5H6NO2- 1 112.0404 -0.25
+  123.0561 C6H7N2O- 1 123.0564 -2.46
+  124.0403 C6H6NO2- 1 124.0404 -0.78
+  127.0515 C5H7N2O2- 1 127.0513 1.66
+  128.0354 C5H6NO3- 1 128.0353 0.32
+  129.1034 C6H13N2O- 1 129.1033 0.69
+  131.0864 C10H11- 1 131.0866 -1.33
+  139.0874 C7H11N2O- 1 139.0877 -2.36
+  153.0667 C7H9N2O2- 1 153.067 -1.92
+  155.0817 C5H9N5O- 1 155.0813 2.59
+  165.1029 C9H13N2O- 1 165.1033 -2.55
+  167.0821 C8H11N2O2- 2 167.0826 -3.12
+  170.0928 C7H12N3O2- 2 170.0935 -4.38
+  171.1134 C8H15N2O2- 2 171.1139 -3.17
+  181.0612 C8H9N2O3- 2 181.0619 -3.8
+  181.0972 C7H11N5O- 1 181.0969 1.54
+  182.1286 C7H14N6- 1 182.1285 0.19
+  183.1129 C7H13N5O- 1 183.1126 1.67
+  184.0608 C6H8N4O3- 2 184.0602 3.52
+  200.1395 C7H16N6O- 2 200.1391 2.17
+  206.0926 C8H10N6O- 2 206.0922 1.92
+  211.0712 C7H9N5O3- 1 211.0711 0.47
+  212.1393 C8H16N6O- 1 212.1391 1.11
+  226.1184 C8H14N6O2- 1 226.1184 0.17
+  231.0874 C10H15O6- 2 231.0874 0.02
+  265.166 C12H25O6- 3 265.1657 1.29
+  283.1767 C12H27O7- 3 283.1762 1.75
+  580.3135 C45H40- 8 580.3135 -0.13
+  975.5316 C49H71N10O11- 1 975.5309 0.71
+PK$NUM_PEAK: 30
+PK$PEAK: m/z int. rel.int.
+  110.0248 454600.9 59
+  112.0404 224977.6 29
+  123.0561 111529.8 14
+  124.0403 555266.5 72
+  127.0515 153505.4 19
+  128.0354 7676794.5 999
+  129.1034 383870.8 49
+  131.0864 162556.7 21
+  139.0874 234800.7 30
+  153.0667 551183.4 71
+  155.0817 291076 37
+  165.1029 447171.1 58
+  167.0821 205389.8 26
+  170.0928 230678.3 30
+  171.1134 138449.9 18
+  181.0612 196801.4 25
+  181.0972 196954.4 25
+  182.1286 271029.7 35
+  183.1129 124830.1 16
+  184.0608 252893.9 32
+  200.1395 1039712.6 135
+  206.0926 212726.6 27
+  211.0712 310504.8 40
+  212.1393 183730.2 23
+  226.1184 336877.1 43
+  231.0874 103221.9 13
+  265.166 2998147.5 390
+  283.1767 3061251.5 398
+  580.3135 583220.9 75
+  975.5316 1866207.5 242
+//
diff --git a/Eawag/MSBNK-EAWAG-ED182356.txt b/Eawag/MSBNK-EAWAG-ED182356.txt
new file mode 100644
index 0000000000..8a5f93555c
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED182356.txt
@@ -0,0 +1,131 @@
+ACCESSION: MSBNK-EAWAG-ED182356
+RECORD_TITLE: MC-LR; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], K. Thomas [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.4224/crm.2013.mclr.20070131
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1823
+CH$NAME: MC-LR
+CH$NAME: Microcystin-LR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C49H74N10O12
+CH$EXACT_MASS: 994.5487678
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C49H74N10O12/c1-26(2)23-37-46(66)58-40(48(69)70)30(6)42(62)55-35(17-14-22-52-49(50)51)45(65)54-34(19-18-27(3)24-28(4)38(71-10)25-33-15-12-11-13-16-33)29(5)41(61)56-36(47(67)68)20-21-39(60)59(9)32(8)44(64)53-31(7)43(63)57-37/h11-13,15-16,18-19,24,26,28-31,34-38,40H,8,14,17,20-23,25H2,1-7,9-10H3,(H,53,64)(H,54,65)(H,55,62)(H,56,61)(H,57,63)(H,58,66)(H,67,68)(H,69,70)(H4,50,51,52)/b19-18+,27-24+/t28-,29-,30-,31+,34-,35-,36+,37-,38-,40+/m0/s1
+CH$LINK: CAS 101043-37-2
+CH$LINK: CHEBI 6925
+CH$LINK: KEGG C05371
+CH$LINK: PUBCHEM CID:445434
+CH$LINK: INCHIKEY ZYZCGGRZINLQBL-GWRQVWKTSA-N
+CH$LINK: CHEMSPIDER 393078
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 103-1034
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 15.079 min
+MS$FOCUSED_ION: BASE_PEAK 993.5431
+MS$FOCUSED_ION: PRECURSOR_M/Z 993.5415
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00or-0930000000-7bd988dcfcf96e9af56b
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  110.0248 C5H4NO2- 1 110.0248 0.06
+  112.0404 C5H6NO2- 1 112.0404 -0.12
+  112.0771 C6H10NO- 1 112.0768 3.08
+  113.0356 C4H5N2O2- 1 113.0357 -0.79
+  123.0563 C6H7N2O- 1 123.0564 -0.91
+  124.0403 C6H6NO2- 1 124.0404 -0.53
+  127.0512 C5H7N2O2- 1 127.0513 -0.62
+  127.0875 C6H11N2O- 1 127.0877 -1.77
+  128.0353 C5H6NO3- 1 128.0353 -0.28
+  129.1032 C6H13N2O- 1 129.1033 -0.73
+  130.0872 C6H12NO2- 1 130.0874 -0.96
+  131.0865 C10H11- 1 131.0866 -0.63
+  138.0432 C6H6N2O2- 1 138.0435 -2.31
+  138.0559 C7H8NO2- 1 138.0561 -0.79
+  139.0874 C7H11N2O- 1 139.0877 -1.7
+  140.0712 C7H10NO2- 1 140.0717 -3.39
+  141.0668 C6H9N2O2- 1 141.067 -1.06
+  149.0715 C8H9N2O- 1 149.072 -3.61
+  150.0558 C8H8NO2- 1 150.0561 -1.99
+  151.0876 C8H11N2O- 1 151.0877 -0.47
+  153.0665 C7H9N2O2- 1 153.067 -3.22
+  153.1017 C6H11N5- 1 153.102 -2.18
+  154.0984 C7H12N3O- 1 154.0986 -1.03
+  165.1027 C9H13N2O- 2 165.1033 -3.57
+  167.082 C8H11N2O2- 2 167.0826 -3.49
+  170.0931 C7H12N3O2- 1 170.0935 -2.13
+  171.1147 C8H15N2O2- 1 171.1139 4.85
+  180.114 C9H14N3O- 1 180.1142 -1.48
+  181.0975 C7H11N5O- 2 181.0969 3.23
+  182.1291 C7H14N6- 2 182.1285 3.29
+  183.1131 C7H13N5O- 2 183.1126 3.17
+  198.1235 C7H14N6O- 1 198.1235 0.04
+  200.1394 C7H16N6O- 1 200.1391 1.56
+  206.0923 C8H10N6O- 1 206.0922 0.88
+  208.109 C10H14N3O2- 1 208.1092 -0.64
+  211.0711 C7H9N5O3- 1 211.0711 -0.03
+  212.1391 C8H16N6O- 1 212.1391 -0.11
+  226.1188 C8H14N6O2- 2 226.1184 2.06
+  231.0876 C10H15O6- 2 231.0874 0.74
+  265.1659 C12H25O6- 3 265.1657 0.83
+  283.1767 C12H27O7- 3 283.1762 1.54
+  338.2227 C19H26N6- 7 338.2224 0.68
+PK$NUM_PEAK: 42
+PK$PEAK: m/z int. rel.int.
+  110.0248 935414.4 166
+  112.0404 396363.1 70
+  112.0771 91181.1 16
+  113.0356 114275 20
+  123.0563 195511.2 34
+  124.0403 622203.7 110
+  127.0512 247389.9 43
+  127.0875 78405.2 13
+  128.0353 5629382 999
+  129.1032 891515.1 158
+  130.0872 111408.2 19
+  131.0865 259106.1 45
+  138.0432 74454.3 13
+  138.0559 81261.1 14
+  139.0874 643250.8 114
+  140.0712 80301.8 14
+  141.0668 65325 11
+  149.0715 59296.3 10
+  150.0558 240717.2 42
+  151.0876 61078.4 10
+  153.0665 854339.4 151
+  153.1017 90732.8 16
+  154.0984 72612.5 12
+  165.1027 1248696.4 221
+  167.082 274469.8 48
+  170.0931 266242.4 47
+  171.1147 105891.9 18
+  180.114 720239.9 127
+  181.0975 403409.3 71
+  182.1291 1078681.5 191
+  183.1131 225699 40
+  198.1235 470511.3 83
+  200.1394 1189622.4 211
+  206.0923 226461.3 40
+  208.109 202905.3 36
+  211.0711 193840.1 34
+  212.1391 124328.5 22
+  226.1188 230219.1 40
+  231.0876 70927.9 12
+  265.1659 2885475.5 512
+  283.1767 947664.8 168
+  338.2227 241986.9 42
+//
diff --git a/Eawag/MSBNK-EAWAG-ED182357.txt b/Eawag/MSBNK-EAWAG-ED182357.txt
new file mode 100644
index 0000000000..e7c92e008e
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED182357.txt
@@ -0,0 +1,147 @@
+ACCESSION: MSBNK-EAWAG-ED182357
+RECORD_TITLE: MC-LR; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], K. Thomas [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.4224/crm.2013.mclr.20070131
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1823
+CH$NAME: MC-LR
+CH$NAME: Microcystin-LR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C49H74N10O12
+CH$EXACT_MASS: 994.5487678
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C49H74N10O12/c1-26(2)23-37-46(66)58-40(48(69)70)30(6)42(62)55-35(17-14-22-52-49(50)51)45(65)54-34(19-18-27(3)24-28(4)38(71-10)25-33-15-12-11-13-16-33)29(5)41(61)56-36(47(67)68)20-21-39(60)59(9)32(8)44(64)53-31(7)43(63)57-37/h11-13,15-16,18-19,24,26,28-31,34-38,40H,8,14,17,20-23,25H2,1-7,9-10H3,(H,53,64)(H,54,65)(H,55,62)(H,56,61)(H,57,63)(H,58,66)(H,67,68)(H,69,70)(H4,50,51,52)/b19-18+,27-24+/t28-,29-,30-,31+,34-,35-,36+,37-,38-,40+/m0/s1
+CH$LINK: CAS 101043-37-2
+CH$LINK: CHEBI 6925
+CH$LINK: KEGG C05371
+CH$LINK: PUBCHEM CID:445434
+CH$LINK: INCHIKEY ZYZCGGRZINLQBL-GWRQVWKTSA-N
+CH$LINK: CHEMSPIDER 393078
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 103-1034
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 15.079 min
+MS$FOCUSED_ION: BASE_PEAK 993.5431
+MS$FOCUSED_ION: PRECURSOR_M/Z 993.5415
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0059-0910000000-78738a49ade17c8ae4f6
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  109.0774 C6H9N2- 1 109.0771 2.1
+  110.0248 C5H4NO2- 1 110.0248 0.41
+  111.0202 C4H3N2O2- 1 111.02 1.65
+  111.0565 C5H7N2O- 1 111.0564 1.09
+  112.0404 C5H6NO2- 1 112.0404 -0.39
+  112.077 C6H10NO- 1 112.0768 1.58
+  113.0356 C4H5N2O2- 1 113.0357 -0.45
+  113.072 C5H9N2O- 1 113.072 -0.06
+  122.0611 C7H8NO- 1 122.0611 0.04
+  123.0562 C6H7N2O- 1 123.0564 -1.47
+  124.0404 C6H6NO2- 1 124.0404 -0.04
+  125.0354 C5H5N2O2- 1 125.0357 -2.14
+  125.0599 C5H7N3O- 1 125.0595 3.43
+  125.072 C6H9N2O- 1 125.072 -0.44
+  127.0513 C5H7N2O2- 1 127.0513 -0.08
+  128.0353 C5H6NO3- 1 128.0353 -0.04
+  129.1033 C6H13N2O- 1 129.1033 -0.25
+  130.0871 C6H12NO2- 1 130.0874 -1.78
+  130.0989 C5H12N3O- 1 130.0986 2.66
+  131.0867 C10H11- 1 131.0866 0.65
+  136.113 C9H14N- 1 136.1132 -1.16
+  137.0477 C7H7NO2- 1 137.0482 -3.8
+  137.0722 C7H9N2O- 1 137.072 0.83
+  138.0433 C6H6N2O2- 1 138.0435 -1.54
+  138.0561 C7H8NO2- 1 138.0561 0.43
+  139.0875 C7H11N2O- 1 139.0877 -1.37
+  141.0666 C6H9N2O2- 1 141.067 -2.36
+  149.0717 C8H9N2O- 1 149.072 -2.59
+  150.0557 C8H8NO2- 1 150.0561 -2.6
+  151.0874 C8H11N2O- 1 151.0877 -2.08
+  153.0665 C7H9N2O2- 1 153.067 -2.62
+  153.1023 C6H11N5- 1 153.102 2.3
+  154.0981 C7H12N3O- 1 154.0986 -2.91
+  155.082 C7H11N2O2- 2 155.0826 -3.9
+  155.1183 C6H13N5- 2 155.1176 4.21
+  165.0661 C6H7N5O- 1 165.0656 3.05
+  165.1028 C9H13N2O- 1 165.1033 -3.11
+  167.0819 C8H11N2O2- 2 167.0826 -4.13
+  170.0929 C7H12N3O2- 2 170.0935 -3.66
+  180.1137 C9H14N3O- 2 180.1142 -2.75
+  182.1292 C7H14N6- 2 182.1285 3.63
+  183.1128 C7H13N5O- 1 183.1126 1.26
+  198.1238 C7H14N6O- 1 198.1235 1.66
+  200.1394 C7H16N6O- 1 200.1391 1.56
+  206.0926 C8H10N6O- 2 206.0922 2.07
+  207.0769 C10H11N2O3- 2 207.0775 -3.17
+  208.1095 C10H14N3O2- 2 208.1092 1.64
+  211.0719 C7H9N5O3- 2 211.0711 3.66
+  265.1659 C12H25O6- 3 265.1657 0.95
+  283.1763 C12H27O7- 5 283.1762 0.14
+PK$NUM_PEAK: 50
+PK$PEAK: m/z int. rel.int.
+  109.0774 43676.2 13
+  110.0248 922423.3 284
+  111.0202 46644.6 14
+  111.0565 77013.8 23
+  112.0404 351240.3 108
+  112.077 92848.6 28
+  113.0356 178377.1 54
+  113.072 61605.4 18
+  122.0611 51978 16
+  123.0562 172884.7 53
+  124.0404 507827.8 156
+  125.0354 84369 25
+  125.0599 40567.5 12
+  125.072 127547.3 39
+  127.0513 228340.6 70
+  128.0353 3241744.8 999
+  129.1033 977961.7 301
+  130.0871 80183.4 24
+  130.0989 51952.8 16
+  131.0867 168147.4 51
+  136.113 57563.7 17
+  137.0477 58630 18
+  137.0722 48712.1 15
+  138.0433 121584.4 37
+  138.0561 88342 27
+  139.0875 576838.4 177
+  141.0666 51581.9 15
+  149.0717 53131.3 16
+  150.0557 252917.7 77
+  151.0874 53917.4 16
+  153.0665 576245.2 177
+  153.1023 158150.8 48
+  154.0981 89342.9 27
+  155.082 303632.8 93
+  155.1183 119019.5 36
+  165.0661 62390.8 19
+  165.1028 1041761.2 321
+  167.0819 174258.4 53
+  170.0929 156192.3 48
+  180.1137 886354.9 273
+  182.1292 1502954.6 463
+  183.1128 192728.8 59
+  198.1238 305315.9 94
+  200.1394 671744.9 207
+  206.0926 147661.2 45
+  207.0769 38084.2 11
+  208.1095 218133.4 67
+  211.0719 47230.1 14
+  265.1659 971756.6 299
+  283.1763 100749 31
+//
diff --git a/Eawag/MSBNK-EAWAG-ED182358.txt b/Eawag/MSBNK-EAWAG-ED182358.txt
new file mode 100644
index 0000000000..6497403e24
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED182358.txt
@@ -0,0 +1,153 @@
+ACCESSION: MSBNK-EAWAG-ED182358
+RECORD_TITLE: MC-LR; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], K. Thomas [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.4224/crm.2013.mclr.20070131
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1823
+CH$NAME: MC-LR
+CH$NAME: Microcystin-LR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C49H74N10O12
+CH$EXACT_MASS: 994.5487678
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C49H74N10O12/c1-26(2)23-37-46(66)58-40(48(69)70)30(6)42(62)55-35(17-14-22-52-49(50)51)45(65)54-34(19-18-27(3)24-28(4)38(71-10)25-33-15-12-11-13-16-33)29(5)41(61)56-36(47(67)68)20-21-39(60)59(9)32(8)44(64)53-31(7)43(63)57-37/h11-13,15-16,18-19,24,26,28-31,34-38,40H,8,14,17,20-23,25H2,1-7,9-10H3,(H,53,64)(H,54,65)(H,55,62)(H,56,61)(H,57,63)(H,58,66)(H,67,68)(H,69,70)(H4,50,51,52)/b19-18+,27-24+/t28-,29-,30-,31+,34-,35-,36+,37-,38-,40+/m0/s1
+CH$LINK: CAS 101043-37-2
+CH$LINK: CHEBI 6925
+CH$LINK: KEGG C05371
+CH$LINK: PUBCHEM CID:445434
+CH$LINK: INCHIKEY ZYZCGGRZINLQBL-GWRQVWKTSA-N
+CH$LINK: CHEMSPIDER 393078
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 103-1034
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 15.079 min
+MS$FOCUSED_ION: BASE_PEAK 993.5431
+MS$FOCUSED_ION: PRECURSOR_M/Z 993.5415
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0059-0900000000-ef2c7ef8bfcb89611431
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  108.0328 C5H4N2O- 1 108.0329 -1.27
+  108.0455 C6H6NO- 1 108.0455 0.11
+  109.0171 C5H3NO2- 1 109.0169 1.17
+  109.0407 C5H5N2O- 1 109.0407 -0.07
+  110.0248 C5H4NO2- 1 110.0248 0.27
+  111.0566 C5H7N2O- 1 111.0564 2.12
+  112.0404 C5H6NO2- 1 112.0404 0.09
+  112.0769 C6H10NO- 1 112.0768 0.63
+  113.0359 C4H5N2O2- 1 113.0357 1.97
+  113.0721 C5H9N2O- 1 113.072 0.89
+  122.0486 C6H6N2O- 1 122.0486 0
+  123.0327 C6H5NO2- 1 123.0326 0.87
+  123.056 C6H7N2O- 1 123.0564 -3.02
+  124.0404 C6H6NO2- 1 124.0404 0.2
+  125.0356 C5H5N2O2- 1 125.0357 -0.19
+  125.0596 C5H7N3O- 1 125.0595 1.11
+  125.0721 C6H9N2O- 1 125.072 0.41
+  127.0512 C5H7N2O2- 1 127.0513 -0.44
+  127.0877 C6H11N2O- 1 127.0877 0.22
+  128.0353 C5H6NO3- 1 128.0353 -0.04
+  129.1033 C6H13N2O- 1 129.1033 -0.14
+  130.0872 C6H12NO2- 1 130.0874 -1.08
+  130.0989 C5H12N3O- 1 130.0986 2.54
+  136.0766 C8H10NO- 1 136.0768 -1.21
+  136.1132 C9H14N- 1 136.1132 0.07
+  137.048 C7H7NO2- 1 137.0482 -1.35
+  137.072 C7H9N2O- 1 137.072 -0.17
+  138.0435 C6H6N2O2- 1 138.0435 0.23
+  138.0562 C7H8NO2- 1 138.0561 1.2
+  139.0512 C6H7N2O2- 1 139.0513 -0.98
+  139.0875 C7H11N2O- 1 139.0877 -1.37
+  140.0713 C7H10NO2- 1 140.0717 -2.51
+  150.0555 C8H8NO2- 1 150.0561 -3.42
+  151.0879 C8H11N2O- 1 151.0877 1.15
+  152.083 C7H10N3O- 1 152.0829 0.3
+  153.0667 C7H9N2O2- 1 153.067 -1.82
+  153.1026 C6H11N5- 2 153.102 3.8
+  154.0982 C7H12N3O- 1 154.0986 -2.41
+  155.082 C7H11N2O2- 2 155.0826 -3.9
+  155.1182 C6H13N5- 1 155.1176 3.62
+  157.1344 C8H17N2O- 1 157.1346 -1.71
+  163.0876 C9H11N2O- 1 163.0877 -0.69
+  165.0664 C6H7N5O- 2 165.0656 4.53
+  165.1029 C9H13N2O- 1 165.1033 -2.64
+  168.1138 C8H14N3O- 1 168.1142 -2.47
+  169.1344 C9H17N2O- 1 169.1346 -1.44
+  170.0934 C7H12N3O2- 1 170.0935 -0.79
+  180.1136 C9H14N3O- 2 180.1142 -3.77
+  181.0975 C7H11N5O- 2 181.0969 3.48
+  182.1291 C7H14N6- 2 182.1285 3.29
+  183.1131 C7H13N5O- 2 183.1126 3.01
+  200.1394 C7H16N6O- 1 200.1391 1.33
+  265.1663 C12H25O6- 3 265.1657 2.33
+PK$NUM_PEAK: 53
+PK$PEAK: m/z int. rel.int.
+  108.0328 38858.3 22
+  108.0455 28113.1 16
+  109.0171 49989.7 28
+  109.0407 146910.5 84
+  110.0248 869754.4 499
+  111.0566 54149.5 31
+  112.0404 238490.9 137
+  112.0769 142176 81
+  113.0359 145376.5 83
+  113.0721 47752.5 27
+  122.0486 51482 29
+  123.0327 47770.6 27
+  123.056 124354.8 71
+  124.0404 415163.2 238
+  125.0356 62271.8 35
+  125.0596 91141.2 52
+  125.0721 93401.6 53
+  127.0512 153880.1 88
+  127.0877 43160.8 24
+  128.0353 1737873.1 999
+  129.1033 925006.6 531
+  130.0872 68836.7 39
+  130.0989 62812 36
+  136.0766 29416.6 16
+  136.1132 47697.6 27
+  137.048 74441.2 42
+  137.072 38974.2 22
+  138.0435 172139.4 98
+  138.0562 41131.2 23
+  139.0512 25116 14
+  139.0875 410286.8 235
+  140.0713 36633.9 21
+  150.0555 202875 116
+  151.0879 33692.1 19
+  152.083 58861.6 33
+  153.0667 284007.4 163
+  153.1026 113886.2 65
+  154.0982 102440.2 58
+  155.082 185406.4 106
+  155.1182 121834.4 70
+  157.1344 25026.7 14
+  163.0876 42618.2 24
+  165.0664 47969.7 27
+  165.1029 625530.4 359
+  168.1138 87852.5 50
+  169.1344 32954.1 18
+  170.0934 40171.6 23
+  180.1136 578172.2 332
+  181.0975 228092.2 131
+  182.1291 1338627.1 769
+  183.1131 127790.8 73
+  200.1394 300096.6 172
+  265.1663 199117.5 114
+//
diff --git a/Eawag/MSBNK-EAWAG-ED182359.txt b/Eawag/MSBNK-EAWAG-ED182359.txt
new file mode 100644
index 0000000000..502c8a8b8a
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED182359.txt
@@ -0,0 +1,117 @@
+ACCESSION: MSBNK-EAWAG-ED182359
+RECORD_TITLE: MC-LR; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], K. Thomas [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.4224/crm.2013.mclr.20070131
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1823
+CH$NAME: MC-LR
+CH$NAME: Microcystin-LR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C49H74N10O12
+CH$EXACT_MASS: 994.5487678
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C49H74N10O12/c1-26(2)23-37-46(66)58-40(48(69)70)30(6)42(62)55-35(17-14-22-52-49(50)51)45(65)54-34(19-18-27(3)24-28(4)38(71-10)25-33-15-12-11-13-16-33)29(5)41(61)56-36(47(67)68)20-21-39(60)59(9)32(8)44(64)53-31(7)43(63)57-37/h11-13,15-16,18-19,24,26,28-31,34-38,40H,8,14,17,20-23,25H2,1-7,9-10H3,(H,53,64)(H,54,65)(H,55,62)(H,56,61)(H,57,63)(H,58,66)(H,67,68)(H,69,70)(H4,50,51,52)/b19-18+,27-24+/t28-,29-,30-,31+,34-,35-,36+,37-,38-,40+/m0/s1
+CH$LINK: CAS 101043-37-2
+CH$LINK: CHEBI 6925
+CH$LINK: KEGG C05371
+CH$LINK: PUBCHEM CID:445434
+CH$LINK: INCHIKEY ZYZCGGRZINLQBL-GWRQVWKTSA-N
+CH$LINK: CHEMSPIDER 393078
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 103-1034
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 15.079 min
+MS$FOCUSED_ION: BASE_PEAK 993.5431
+MS$FOCUSED_ION: PRECURSOR_M/Z 993.5415
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-01u0-0900000000-bd8912b682d9c0b2146f
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  108.033 C5H4N2O- 1 108.0329 0.42
+  108.0454 C6H6NO- 1 108.0455 -0.95
+  109.017 C5H3NO2- 1 109.0169 0.61
+  109.0408 C5H5N2O- 1 109.0407 0.14
+  110.0247 C5H4NO2- 1 110.0248 -0.08
+  111.02 C4H3N2O2- 1 111.02 -0.07
+  112.0404 C5H6NO2- 1 112.0404 -0.25
+  112.0768 C6H10NO- 1 112.0768 -0.06
+  113.0357 C4H5N2O2- 1 113.0357 0.69
+  113.072 C5H9N2O- 1 113.072 -0.46
+  122.0486 C6H6N2O- 1 122.0486 0.07
+  122.0977 C8H12N- 1 122.0975 1.6
+  123.0327 C6H5NO2- 1 123.0326 1.18
+  124.0404 C6H6NO2- 1 124.0404 0.02
+  125.0596 C5H7N3O- 1 125.0595 1.17
+  125.0721 C6H9N2O- 1 125.072 0.78
+  127.0512 C5H7N2O2- 1 127.0513 -0.5
+  128.0353 C5H6NO3- 1 128.0353 -0.04
+  129.1033 C6H13N2O- 1 129.1033 -0.37
+  130.0988 C5H12N3O- 1 130.0986 1.95
+  135.0561 C7H7N2O- 1 135.0564 -2.12
+  137.048 C7H7NO2- 1 137.0482 -1.57
+  138.0434 C6H6N2O2- 1 138.0435 -0.43
+  139.0872 C7H11N2O- 1 139.0877 -3.46
+  140.0833 C6H10N3O- 1 140.0829 2.36
+  150.0555 C8H8NO2- 1 150.0561 -3.42
+  153.0665 C7H9N2O2- 1 153.067 -3.22
+  155.0823 C7H11N2O2- 1 155.0826 -2.23
+  155.1183 C6H13N5- 2 155.1176 4.01
+  165.1026 C9H13N2O- 2 165.1033 -4.49
+  168.1134 C8H14N3O- 2 168.1142 -4.74
+  180.1136 C9H14N3O- 2 180.1142 -3.6
+  182.1291 C7H14N6- 2 182.1285 3.29
+  183.1132 C7H13N5O- 2 183.1126 3.59
+  200.1396 C7H16N6O- 2 200.1391 2.25
+PK$NUM_PEAK: 35
+PK$PEAK: m/z int. rel.int.
+  108.033 66921.9 81
+  108.0454 27068.9 33
+  109.017 35592.3 43
+  109.0408 133118 162
+  110.0247 651884.2 797
+  111.02 81149.6 99
+  112.0404 147912.2 180
+  112.0768 105882 129
+  113.0357 143827.3 175
+  113.072 32581.2 39
+  122.0486 58403.2 71
+  122.0977 56427 69
+  123.0327 41512.1 50
+  124.0404 246812.8 302
+  125.0596 126073.7 154
+  125.0721 51604.9 63
+  127.0512 96447.2 118
+  128.0353 816418.6 999
+  129.1033 525191.1 642
+  130.0988 51138 62
+  135.0561 39894.8 48
+  137.048 59045.6 72
+  138.0434 108658.7 132
+  139.0872 251404.6 307
+  140.0833 38046.2 46
+  150.0555 152137.1 186
+  153.0665 98607.7 120
+  155.0823 85708.4 104
+  155.1183 90601.7 110
+  165.1026 269060.6 329
+  168.1134 49289.8 60
+  180.1136 236751.7 289
+  182.1291 698238.9 854
+  183.1132 54445.3 66
+  200.1396 103270 126
+//
diff --git a/Eawag/MSBNK-EAWAG-ED182390.txt b/Eawag/MSBNK-EAWAG-ED182390.txt
new file mode 100644
index 0000000000..0c70fe92e6
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED182390.txt
@@ -0,0 +1,72 @@
+ACCESSION: MSBNK-EAWAG-ED182390
+RECORD_TITLE: MC-LR; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+2H]2+; First mass: auto
+DATE: 2024.04.29
+AUTHORS: E. Janssen [dtc], V. Rouge [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1823
+CH$NAME: MC-LR
+CH$NAME: Microcystin-LR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C49H74N10O12
+CH$EXACT_MASS: 994.5487678
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C49H74N10O12/c1-26(2)23-37-46(66)58-40(48(69)70)30(6)42(62)55-35(17-14-22-52-49(50)51)45(65)54-34(19-18-27(3)24-28(4)38(71-10)25-33-15-12-11-13-16-33)29(5)41(61)56-36(47(67)68)20-21-39(60)59(9)32(8)44(64)53-31(7)43(63)57-37/h11-13,15-16,18-19,24,26,28-31,34-38,40H,8,14,17,20-23,25H2,1-7,9-10H3,(H,53,64)(H,54,65)(H,55,62)(H,56,61)(H,57,63)(H,58,66)(H,67,68)(H,69,70)(H4,50,51,52)/b19-18+,27-24+/t28-,29-,30-,31+,34-,35-,36+,37-,38-,40+/m0/s1
+CH$LINK: CAS 101043-37-2
+CH$LINK: CHEBI 6925
+CH$LINK: KEGG C05371
+CH$LINK: PUBCHEM CID:445434
+CH$LINK: INCHIKEY ZYZCGGRZINLQBL-GWRQVWKTSA-N
+CH$LINK: CHEMSPIDER 393078
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 103-1038
+AC$CHROMATOGRAPHY: COLUMN_NAME Acwuity UPLC HSS T3 1.8um, 3x100mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 85/15 at 0 min, 0/100 at 21 min, 0/100 at 25 min, 2/98 at 25.1 min, 2/98 at 31 min, 85/15 at 31.1 min, 85/15 at 33 min
+AC$CHROMATOGRAPHY: FLOW_RATE 300 uL/min at 0 min, 650 uL/min at 25.1 min, 300 uL/min at 31.1 min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.848 min
+MS$FOCUSED_ION: BASE_PEAK 498.2811
+MS$FOCUSED_ION: PRECURSOR_M/Z 498.2817
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+2H]2+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03dr-0700500090-33bba1c095355ca34e84
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  105.0692 C8H9+ 1 105.0693 -0.77
+  135.0799 C9H11O+ 1 135.0799 -0.28
+  136.0832 C4H12N2O3+ 1 136.0837 -3.58
+  161.0954 C11H13O+ 1 161.0955 -0.85
+  213.0858 C9H13N2O4+ 2 213.0864 -3.04
+  265.1576 C4H27NO11+ 5 265.1573 1.17
+  269.112 C11H11N9+ 3 269.1126 -2.33
+  473.2627 C24H35N5O5+ 7 473.2627 0.04
+  482.2683 C32H36NO3+ 7 482.2684 -0.29
+  487.2989 C36H39O+ 8 487.299 -0.16
+  498.2815 C25H36N7O4+ 7 498.2818 -0.59
+  861.4838 C42H67N7O12+ 4 861.4837 0.14
+  862.4862 C49H64N7O7+ 5 862.4856 0.65
+PK$NUM_PEAK: 13
+PK$PEAK: m/z int. rel.int.
+  105.0692 59939 19
+  135.0799 3014832.2 999
+  136.0832 130329.1 43
+  161.0954 68946.4 22
+  213.0858 106743.1 35
+  265.1576 152927.5 50
+  269.112 46916 15
+  473.2627 116830.6 38
+  482.2683 1453563.9 481
+  487.2989 250943.5 83
+  498.2815 288421.2 95
+  861.4838 2963969 982
+  862.4862 762355.6 252
+//
diff --git a/Eawag/MSBNK-EAWAG-ED182391.txt b/Eawag/MSBNK-EAWAG-ED182391.txt
new file mode 100644
index 0000000000..c2ab980dcd
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED182391.txt
@@ -0,0 +1,88 @@
+ACCESSION: MSBNK-EAWAG-ED182391
+RECORD_TITLE: MC-LR; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+2H]2+; First mass: auto
+DATE: 2024.04.29
+AUTHORS: E. Janssen [dtc], V. Rouge [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1823
+CH$NAME: MC-LR
+CH$NAME: Microcystin-LR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C49H74N10O12
+CH$EXACT_MASS: 994.5487678
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C49H74N10O12/c1-26(2)23-37-46(66)58-40(48(69)70)30(6)42(62)55-35(17-14-22-52-49(50)51)45(65)54-34(19-18-27(3)24-28(4)38(71-10)25-33-15-12-11-13-16-33)29(5)41(61)56-36(47(67)68)20-21-39(60)59(9)32(8)44(64)53-31(7)43(63)57-37/h11-13,15-16,18-19,24,26,28-31,34-38,40H,8,14,17,20-23,25H2,1-7,9-10H3,(H,53,64)(H,54,65)(H,55,62)(H,56,61)(H,57,63)(H,58,66)(H,67,68)(H,69,70)(H4,50,51,52)/b19-18+,27-24+/t28-,29-,30-,31+,34-,35-,36+,37-,38-,40+/m0/s1
+CH$LINK: CAS 101043-37-2
+CH$LINK: CHEBI 6925
+CH$LINK: KEGG C05371
+CH$LINK: PUBCHEM CID:445434
+CH$LINK: INCHIKEY ZYZCGGRZINLQBL-GWRQVWKTSA-N
+CH$LINK: CHEMSPIDER 393078
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 103-1038
+AC$CHROMATOGRAPHY: COLUMN_NAME Acwuity UPLC HSS T3 1.8um, 3x100mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 85/15 at 0 min, 0/100 at 21 min, 0/100 at 25 min, 2/98 at 25.1 min, 2/98 at 31 min, 85/15 at 31.1 min, 85/15 at 33 min
+AC$CHROMATOGRAPHY: FLOW_RATE 300 uL/min at 0 min, 650 uL/min at 25.1 min, 300 uL/min at 31.1 min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.848 min
+MS$FOCUSED_ION: BASE_PEAK 498.2811
+MS$FOCUSED_ION: PRECURSOR_M/Z 498.2817
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+2H]2+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03dr-0800100090-ff4c85a0e11fc440c2d3
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  105.0692 C8H9+ 1 105.0693 -0.84
+  127.0859 C6H11N2O+ 1 127.086 -1.16
+  131.085 C10H11+ 1 131.085 0.18
+  135.0799 C9H11O+ 1 135.0799 -0.16
+  136.0831 C4H12N2O3+ 1 136.0837 -4.26
+  155.0807 C7H11N2O2+ 1 155.081 -1.69
+  157.1333 C8H17N2O+ 1 157.133 2.14
+  161.0953 C11H13O+ 1 161.0955 -1.51
+  213.0858 C9H13N2O4+ 2 213.0864 -2.75
+  226.1578 CH26N2O10+ 3 226.1576 0.64
+  241.1166 C9H15N5O3+ 2 241.1164 0.82
+  269.1122 C11H11N9+ 3 269.1126 -1.54
+  282.1834 C3H24N9O6+ 6 282.1839 -1.73
+  468.271 C24H34N7O3+ 6 468.2712 -0.49
+  482.2685 C32H36NO3+ 7 482.2684 0.15
+  487.2994 C36H39O+ 7 487.299 0.78
+  751.4476 C38H63N4O11+ 7 751.4482 -0.84
+  779.409 C42H53N9O6+ 6 779.4108 -2.34
+  850.4446 C44H62N6O11+ 4 850.4466 -2.35
+  861.4837 C42H67N7O12+ 4 861.4837 0.07
+  862.4865 C49H64N7O7+ 5 862.4856 1.07
+PK$NUM_PEAK: 21
+PK$PEAK: m/z int. rel.int.
+  105.0692 100313.8 35
+  127.0859 92046.2 32
+  131.085 32316.6 11
+  135.0799 2781487.5 992
+  136.0831 110833.8 39
+  155.0807 128285.6 45
+  157.1333 65958.3 23
+  161.0953 81341 29
+  213.0858 171411.1 61
+  226.1578 49515.2 17
+  241.1166 30286.5 10
+  269.1122 41294.6 14
+  282.1834 34259.2 12
+  468.271 156557.1 55
+  482.2685 324255.2 115
+  487.2994 252422.8 90
+  751.4476 71872 25
+  779.409 44073.2 15
+  850.4446 159084.9 56
+  861.4837 2798996.2 999
+  862.4865 666706.7 237
+//
diff --git a/Eawag/MSBNK-EAWAG-ED182392.txt b/Eawag/MSBNK-EAWAG-ED182392.txt
new file mode 100644
index 0000000000..379ab74c08
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED182392.txt
@@ -0,0 +1,92 @@
+ACCESSION: MSBNK-EAWAG-ED182392
+RECORD_TITLE: MC-LR; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+2H]2+; First mass: auto
+DATE: 2024.04.29
+AUTHORS: E. Janssen [dtc], V. Rouge [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1823
+CH$NAME: MC-LR
+CH$NAME: Microcystin-LR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C49H74N10O12
+CH$EXACT_MASS: 994.5487678
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C49H74N10O12/c1-26(2)23-37-46(66)58-40(48(69)70)30(6)42(62)55-35(17-14-22-52-49(50)51)45(65)54-34(19-18-27(3)24-28(4)38(71-10)25-33-15-12-11-13-16-33)29(5)41(61)56-36(47(67)68)20-21-39(60)59(9)32(8)44(64)53-31(7)43(63)57-37/h11-13,15-16,18-19,24,26,28-31,34-38,40H,8,14,17,20-23,25H2,1-7,9-10H3,(H,53,64)(H,54,65)(H,55,62)(H,56,61)(H,57,63)(H,58,66)(H,67,68)(H,69,70)(H4,50,51,52)/b19-18+,27-24+/t28-,29-,30-,31+,34-,35-,36+,37-,38-,40+/m0/s1
+CH$LINK: CAS 101043-37-2
+CH$LINK: CHEBI 6925
+CH$LINK: KEGG C05371
+CH$LINK: PUBCHEM CID:445434
+CH$LINK: INCHIKEY ZYZCGGRZINLQBL-GWRQVWKTSA-N
+CH$LINK: CHEMSPIDER 393078
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 103-1038
+AC$CHROMATOGRAPHY: COLUMN_NAME Acwuity UPLC HSS T3 1.8um, 3x100mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 85/15 at 0 min, 0/100 at 21 min, 0/100 at 25 min, 2/98 at 25.1 min, 2/98 at 31 min, 85/15 at 31.1 min, 85/15 at 33 min
+AC$CHROMATOGRAPHY: FLOW_RATE 300 uL/min at 0 min, 650 uL/min at 25.1 min, 300 uL/min at 31.1 min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.848 min
+MS$FOCUSED_ION: BASE_PEAK 498.2811
+MS$FOCUSED_ION: PRECURSOR_M/Z 498.2817
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+2H]2+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03dr-0910000070-0f6e5b1c1cbc01f6faec
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  105.0694 C8H9+ 1 105.0693 0.46
+  117.0692 C9H9+ 1 117.0693 -0.89
+  127.0861 C6H11N2O+ 1 127.086 0.46
+  135.0799 C9H11O+ 1 135.0799 0.29
+  136.0836 C4H12N2O3+ 1 136.0837 -0.44
+  155.081 C7H11N2O2+ 1 155.081 0.57
+  157.1328 C8H17N2O+ 1 157.133 -1.46
+  161.0951 C11H13O+ 1 161.0955 -2.46
+  174.1344 C6H16N5O+ 1 174.1344 -0.04
+  209.1307 H17N8O5+ 2 209.1311 -1.99
+  213.0859 C9H13N2O4+ 2 213.0864 -2.32
+  226.158 CH26N2O10+ 4 226.1576 1.66
+  241.1168 C9H15N5O3+ 2 241.1164 1.7
+  282.1831 C3H24N9O6+ 5 282.1839 -2.71
+  286.1492 C10H24NO8+ 3 286.1491 0.41
+  470.2718 C21H42O11+ 6 470.2716 0.5
+  487.2997 C36H39O+ 7 487.299 1.41
+  567.3271 C30H43N6O5+ 9 567.3284 -2.22
+  570.3357 C25H50N2O12+ 10 570.3353 0.73
+  696.3723 C37H52N4O9+ 10 696.3723 -0.11
+  850.4461 C44H62N6O11+ 5 850.4466 -0.56
+  861.484 C42H67N7O12+ 4 861.4837 0.43
+  862.4868 C49H64N7O7+ 5 862.4856 1.35
+PK$NUM_PEAK: 23
+PK$PEAK: m/z int. rel.int.
+  105.0694 150534.6 66
+  117.0692 72454 32
+  127.0861 128770.7 57
+  135.0799 2256863.5 999
+  136.0836 83184.9 36
+  155.081 137578.2 60
+  157.1328 83651.5 37
+  161.0951 64615.9 28
+  174.1344 77796.1 34
+  209.1307 36623.7 16
+  213.0859 152284.1 67
+  226.158 81179.2 35
+  241.1168 37146.9 16
+  282.1831 32732.8 14
+  286.1492 25081.4 11
+  470.2718 94786.2 41
+  487.2997 180030.2 79
+  567.3271 34969.8 15
+  570.3357 135985 60
+  696.3723 61604.4 27
+  850.4461 128549.1 56
+  861.484 2060882.4 912
+  862.4868 516378.8 228
+//
diff --git a/Eawag/MSBNK-EAWAG-ED182393.txt b/Eawag/MSBNK-EAWAG-ED182393.txt
new file mode 100644
index 0000000000..0ecd5f589c
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED182393.txt
@@ -0,0 +1,88 @@
+ACCESSION: MSBNK-EAWAG-ED182393
+RECORD_TITLE: MC-LR; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+2H]2+; First mass: auto
+DATE: 2024.04.29
+AUTHORS: E. Janssen [dtc], V. Rouge [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1823
+CH$NAME: MC-LR
+CH$NAME: Microcystin-LR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C49H74N10O12
+CH$EXACT_MASS: 994.5487678
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C49H74N10O12/c1-26(2)23-37-46(66)58-40(48(69)70)30(6)42(62)55-35(17-14-22-52-49(50)51)45(65)54-34(19-18-27(3)24-28(4)38(71-10)25-33-15-12-11-13-16-33)29(5)41(61)56-36(47(67)68)20-21-39(60)59(9)32(8)44(64)53-31(7)43(63)57-37/h11-13,15-16,18-19,24,26,28-31,34-38,40H,8,14,17,20-23,25H2,1-7,9-10H3,(H,53,64)(H,54,65)(H,55,62)(H,56,61)(H,57,63)(H,58,66)(H,67,68)(H,69,70)(H4,50,51,52)/b19-18+,27-24+/t28-,29-,30-,31+,34-,35-,36+,37-,38-,40+/m0/s1
+CH$LINK: CAS 101043-37-2
+CH$LINK: CHEBI 6925
+CH$LINK: KEGG C05371
+CH$LINK: PUBCHEM CID:445434
+CH$LINK: INCHIKEY ZYZCGGRZINLQBL-GWRQVWKTSA-N
+CH$LINK: CHEMSPIDER 393078
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 103-1038
+AC$CHROMATOGRAPHY: COLUMN_NAME Acwuity UPLC HSS T3 1.8um, 3x100mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 85/15 at 0 min, 0/100 at 21 min, 0/100 at 25 min, 2/98 at 25.1 min, 2/98 at 31 min, 85/15 at 31.1 min, 85/15 at 33 min
+AC$CHROMATOGRAPHY: FLOW_RATE 300 uL/min at 0 min, 650 uL/min at 25.1 min, 300 uL/min at 31.1 min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.848 min
+MS$FOCUSED_ION: BASE_PEAK 498.2811
+MS$FOCUSED_ION: PRECURSOR_M/Z 498.2817
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+2H]2+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-01p9-0900000050-fd9f5c4f23a2bd05bf7c
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  105.0693 C8H9+ 1 105.0693 0.1
+  107.085 C8H11+ 1 107.085 0.33
+  112.0865 C5H10N3+ 1 112.0864 0.68
+  115.0537 C9H7+ 1 115.0537 -0.22
+  117.0691 C9H9+ 1 117.0693 -1.54
+  127.086 C6H11N2O+ 1 127.086 -0.14
+  135.0799 C9H11O+ 1 135.0799 -0.05
+  136.0832 C4H12N2O3+ 1 136.0837 -3.81
+  155.0808 C7H11N2O2+ 1 155.081 -0.91
+  157.1327 C8H17N2O+ 1 157.133 -1.55
+  174.1339 C6H16N5O+ 1 174.1344 -2.58
+  213.0859 C9H13N2O4+ 2 213.0864 -2.32
+  226.1583 CH26N2O10+ 4 226.1576 3.01
+  303.1771 C11H23N6O4+ 5 303.177 0.41
+  399.2339 C17H31N6O5+ 5 399.2345 -1.43
+  465.2818 C22H37N6O5+ 7 465.2814 0.76
+  470.2715 C20H36N7O6+ 6 470.2716 -0.27
+  567.3317 C32H45N3O6+ 9 567.3297 3.49
+  676.4152 C31H58N5O11+ 10 676.4122 4.47
+  861.4838 C42H67N7O12+ 4 861.4837 0.14
+  862.4871 C49H64N7O7+ 5 862.4856 1.71
+PK$NUM_PEAK: 21
+PK$PEAK: m/z int. rel.int.
+  105.0693 211358.4 95
+  107.085 34379.5 15
+  112.0865 31800.9 14
+  115.0537 25204.8 11
+  117.0691 117103.6 52
+  127.086 228993 103
+  135.0799 2212370.2 999
+  136.0832 92401.4 41
+  155.0808 156789.8 70
+  157.1327 91904.1 41
+  174.1339 135785.9 61
+  213.0859 185621.3 83
+  226.1583 97894.6 44
+  303.1771 107893.1 48
+  399.2339 38535.3 17
+  465.2818 33223.2 15
+  470.2715 107089.6 48
+  567.3317 66486.2 30
+  676.4152 37646 16
+  861.4838 1623904.1 733
+  862.4871 437900 197
+//
diff --git a/Eawag/MSBNK-EAWAG-ED182394.txt b/Eawag/MSBNK-EAWAG-ED182394.txt
new file mode 100644
index 0000000000..b6093e29e1
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED182394.txt
@@ -0,0 +1,86 @@
+ACCESSION: MSBNK-EAWAG-ED182394
+RECORD_TITLE: MC-LR; LC-ESI-QFT; MS2; CE: 35%; R=15000; [M+2H]2+; First mass: auto
+DATE: 2024.04.29
+AUTHORS: E. Janssen [dtc], V. Rouge [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1823
+CH$NAME: MC-LR
+CH$NAME: Microcystin-LR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C49H74N10O12
+CH$EXACT_MASS: 994.5487678
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C49H74N10O12/c1-26(2)23-37-46(66)58-40(48(69)70)30(6)42(62)55-35(17-14-22-52-49(50)51)45(65)54-34(19-18-27(3)24-28(4)38(71-10)25-33-15-12-11-13-16-33)29(5)41(61)56-36(47(67)68)20-21-39(60)59(9)32(8)44(64)53-31(7)43(63)57-37/h11-13,15-16,18-19,24,26,28-31,34-38,40H,8,14,17,20-23,25H2,1-7,9-10H3,(H,53,64)(H,54,65)(H,55,62)(H,56,61)(H,57,63)(H,58,66)(H,67,68)(H,69,70)(H4,50,51,52)/b19-18+,27-24+/t28-,29-,30-,31+,34-,35-,36+,37-,38-,40+/m0/s1
+CH$LINK: CAS 101043-37-2
+CH$LINK: CHEBI 6925
+CH$LINK: KEGG C05371
+CH$LINK: PUBCHEM CID:445434
+CH$LINK: INCHIKEY ZYZCGGRZINLQBL-GWRQVWKTSA-N
+CH$LINK: CHEMSPIDER 393078
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 35 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 103-1038
+AC$CHROMATOGRAPHY: COLUMN_NAME Acwuity UPLC HSS T3 1.8um, 3x100mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 85/15 at 0 min, 0/100 at 21 min, 0/100 at 25 min, 2/98 at 25.1 min, 2/98 at 31 min, 85/15 at 31.1 min, 85/15 at 33 min
+AC$CHROMATOGRAPHY: FLOW_RATE 300 uL/min at 0 min, 650 uL/min at 25.1 min, 300 uL/min at 31.1 min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.848 min
+MS$FOCUSED_ION: BASE_PEAK 498.2811
+MS$FOCUSED_ION: PRECURSOR_M/Z 498.2817
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+2H]2+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-000i-0900000010-71088b5692ceefdd3a99
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  105.0693 C8H9+ 1 105.0693 -0.19
+  112.0864 C5H10N3+ 1 112.0864 0.54
+  115.086 C5H11N2O+ 1 115.086 -0.61
+  117.0692 C9H9+ 1 117.0693 -0.96
+  127.0859 C6H11N2O+ 1 127.086 -0.86
+  131.0854 C10H11+ 1 131.085 2.97
+  135.0799 C9H11O+ 1 135.0799 -0.05
+  136.0832 C4H12N2O3+ 1 136.0837 -3.92
+  155.081 C7H11N2O2+ 1 155.081 0.27
+  157.1327 C8H17N2O+ 1 157.133 -1.85
+  161.0952 C11H13O+ 1 161.0955 -2.36
+  163.1109 C11H15O+ 1 163.1112 -1.51
+  174.1341 C6H16N5O+ 1 174.1344 -1.62
+  209.1309 H17N8O5+ 3 209.1311 -0.82
+  213.0861 C9H13N2O4+ 2 213.0864 -1.53
+  237.1625 C3H27NO10+ 3 237.1624 0.4
+  303.1774 C11H23N6O4+ 3 303.177 1.32
+  465.2815 C22H37N6O5+ 6 465.2814 0.17
+  570.3355 C25H50N2O12+ 10 570.3353 0.41
+  861.4842 C42H67N7O12+ 4 861.4837 0.64
+PK$NUM_PEAK: 20
+PK$PEAK: m/z int. rel.int.
+  105.0693 251796.5 142
+  112.0864 65461 36
+  115.086 22921.6 12
+  117.0692 125201.4 70
+  127.0859 280743.1 158
+  131.0854 38355 21
+  135.0799 1769887.9 999
+  136.0832 70970.1 40
+  155.081 113401.7 64
+  157.1327 78884.3 44
+  161.0952 69945.9 39
+  163.1109 53072.6 29
+  174.1341 166622.8 94
+  209.1309 55803.8 31
+  213.0861 195520.9 110
+  237.1625 49870.2 28
+  303.1774 120386.9 67
+  465.2815 51226.2 28
+  570.3355 66875.5 37
+  861.4842 543937.4 307
+//
diff --git a/Eawag/MSBNK-EAWAG-ED182395.txt b/Eawag/MSBNK-EAWAG-ED182395.txt
new file mode 100644
index 0000000000..19e908080e
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED182395.txt
@@ -0,0 +1,92 @@
+ACCESSION: MSBNK-EAWAG-ED182395
+RECORD_TITLE: MC-LR; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+2H]2+; First mass: auto
+DATE: 2024.04.29
+AUTHORS: E. Janssen [dtc], V. Rouge [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1823
+CH$NAME: MC-LR
+CH$NAME: Microcystin-LR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C49H74N10O12
+CH$EXACT_MASS: 994.5487678
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C49H74N10O12/c1-26(2)23-37-46(66)58-40(48(69)70)30(6)42(62)55-35(17-14-22-52-49(50)51)45(65)54-34(19-18-27(3)24-28(4)38(71-10)25-33-15-12-11-13-16-33)29(5)41(61)56-36(47(67)68)20-21-39(60)59(9)32(8)44(64)53-31(7)43(63)57-37/h11-13,15-16,18-19,24,26,28-31,34-38,40H,8,14,17,20-23,25H2,1-7,9-10H3,(H,53,64)(H,54,65)(H,55,62)(H,56,61)(H,57,63)(H,58,66)(H,67,68)(H,69,70)(H4,50,51,52)/b19-18+,27-24+/t28-,29-,30-,31+,34-,35-,36+,37-,38-,40+/m0/s1
+CH$LINK: CAS 101043-37-2
+CH$LINK: CHEBI 6925
+CH$LINK: KEGG C05371
+CH$LINK: PUBCHEM CID:445434
+CH$LINK: INCHIKEY ZYZCGGRZINLQBL-GWRQVWKTSA-N
+CH$LINK: CHEMSPIDER 393078
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 103-1038
+AC$CHROMATOGRAPHY: COLUMN_NAME Acwuity UPLC HSS T3 1.8um, 3x100mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 85/15 at 0 min, 0/100 at 21 min, 0/100 at 25 min, 2/98 at 25.1 min, 2/98 at 31 min, 85/15 at 31.1 min, 85/15 at 33 min
+AC$CHROMATOGRAPHY: FLOW_RATE 300 uL/min at 0 min, 650 uL/min at 25.1 min, 300 uL/min at 31.1 min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.848 min
+MS$FOCUSED_ION: BASE_PEAK 498.2811
+MS$FOCUSED_ION: PRECURSOR_M/Z 498.2817
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+2H]2+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-000i-0910000000-63bd501737611e742ef3
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  105.0693 C8H9+ 1 105.0693 -0.12
+  112.0863 C5H10N3+ 1 112.0864 -0.75
+  115.0861 C5H11N2O+ 1 115.086 0.45
+  117.0694 C9H9+ 1 117.0693 0.22
+  127.0859 C6H11N2O+ 1 127.086 -0.98
+  133.1006 C10H13+ 1 133.1006 -0.1
+  135.0799 C9H11O+ 1 135.0799 0.06
+  136.0835 C4H12N2O3+ 1 136.0837 -1.34
+  155.0807 C7H11N2O2+ 1 155.081 -1.5
+  157.1078 C6H13N4O+ 1 157.1078 -0.16
+  157.1327 C8H17N2O+ 1 157.133 -2.04
+  163.1109 C11H15O+ 1 163.1112 -2.07
+  174.1341 C6H16N5O+ 1 174.1344 -1.62
+  183.1165 C14H15+ 2 183.1163 1.18
+  195.0753 C9H11N2O3+ 2 195.0759 -3.15
+  200.1133 C7H14N5O2+ 1 200.1137 -1.51
+  213.0861 C9H13N2O4+ 2 213.0864 -1.68
+  226.158 CH26N2O10+ 4 226.1576 1.52
+  258.1543 C9H24NO7+ 3 258.1542 0.5
+  265.1576 C4H27NO11+ 5 265.1573 0.94
+  280.212 C14H26N5O+ 5 280.2126 -2.24
+  470.2714 C20H36N7O6+ 6 470.2716 -0.4
+  570.3367 C25H50N2O12+ 10 570.3353 2.44
+PK$NUM_PEAK: 23
+PK$PEAK: m/z int. rel.int.
+  105.0693 339392.8 216
+  112.0863 137237.6 87
+  115.0861 51529.5 32
+  117.0694 165219.5 105
+  127.0859 323078.8 206
+  133.1006 36332.2 23
+  135.0799 1564549.8 999
+  136.0835 66825.9 42
+  155.0807 152970.9 97
+  157.1078 69903.5 44
+  157.1327 101665.8 64
+  163.1109 88035.1 56
+  174.1341 204357.1 130
+  183.1165 15679.5 10
+  195.0753 35861.7 22
+  200.1133 60117 38
+  213.0861 204821 130
+  226.158 80257 51
+  258.1543 28343.6 18
+  265.1576 45714.8 29
+  280.212 32215.9 20
+  470.2714 33452.5 21
+  570.3367 32693.1 20
+//
diff --git a/Eawag/MSBNK-EAWAG-ED182396.txt b/Eawag/MSBNK-EAWAG-ED182396.txt
new file mode 100644
index 0000000000..b91b6b7108
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED182396.txt
@@ -0,0 +1,92 @@
+ACCESSION: MSBNK-EAWAG-ED182396
+RECORD_TITLE: MC-LR; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+2H]2+; First mass: auto
+DATE: 2024.04.29
+AUTHORS: E. Janssen [dtc], V. Rouge [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1823
+CH$NAME: MC-LR
+CH$NAME: Microcystin-LR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C49H74N10O12
+CH$EXACT_MASS: 994.5487678
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C49H74N10O12/c1-26(2)23-37-46(66)58-40(48(69)70)30(6)42(62)55-35(17-14-22-52-49(50)51)45(65)54-34(19-18-27(3)24-28(4)38(71-10)25-33-15-12-11-13-16-33)29(5)41(61)56-36(47(67)68)20-21-39(60)59(9)32(8)44(64)53-31(7)43(63)57-37/h11-13,15-16,18-19,24,26,28-31,34-38,40H,8,14,17,20-23,25H2,1-7,9-10H3,(H,53,64)(H,54,65)(H,55,62)(H,56,61)(H,57,63)(H,58,66)(H,67,68)(H,69,70)(H4,50,51,52)/b19-18+,27-24+/t28-,29-,30-,31+,34-,35-,36+,37-,38-,40+/m0/s1
+CH$LINK: CAS 101043-37-2
+CH$LINK: CHEBI 6925
+CH$LINK: KEGG C05371
+CH$LINK: PUBCHEM CID:445434
+CH$LINK: INCHIKEY ZYZCGGRZINLQBL-GWRQVWKTSA-N
+CH$LINK: CHEMSPIDER 393078
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 103-1038
+AC$CHROMATOGRAPHY: COLUMN_NAME Acwuity UPLC HSS T3 1.8um, 3x100mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 85/15 at 0 min, 0/100 at 21 min, 0/100 at 25 min, 2/98 at 25.1 min, 2/98 at 31 min, 85/15 at 31.1 min, 85/15 at 33 min
+AC$CHROMATOGRAPHY: FLOW_RATE 300 uL/min at 0 min, 650 uL/min at 25.1 min, 300 uL/min at 31.1 min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.848 min
+MS$FOCUSED_ION: BASE_PEAK 498.2811
+MS$FOCUSED_ION: PRECURSOR_M/Z 498.2817
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+2H]2+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-052r-0900000000-b75ee923c35e1c12c54c
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  105.0693 C8H9+ 1 105.0693 -0.55
+  107.085 C8H11+ 1 107.085 0.26
+  112.0862 C5H10N3+ 1 112.0864 -1.5
+  114.102 C5H12N3+ 1 114.102 -0.11
+  115.0536 C9H7+ 1 115.0537 -0.29
+  115.0859 C5H11N2O+ 1 115.086 -1.27
+  117.0693 C9H9+ 1 117.0693 -0.37
+  122.0958 C8H12N+ 1 122.0959 -1.01
+  127.0859 C6H11N2O+ 1 127.086 -1.16
+  133.1008 C10H13+ 1 133.1006 1.28
+  135.0799 C9H11O+ 1 135.0799 -0.16
+  138.0542 C7H8NO2+ 1 138.0544 -1.3
+  140.0812 C6H10N3O+ 1 140.0813 -0.96
+  145.1005 C11H13+ 1 145.1006 -0.61
+  155.0806 C7H11N2O2+ 1 155.081 -2.19
+  157.1083 C6H13N4O+ 1 157.1078 2.66
+  161.095 C11H13O+ 1 161.0955 -3.12
+  167.0808 C8H11N2O2+ 1 167.081 -0.85
+  195.0754 C9H11N2O3+ 2 195.0759 -2.29
+  200.1132 C7H14N5O2+ 3 200.1137 -2.43
+  209.131 H17N8O5+ 3 209.1311 -0.61
+  213.0859 C9H13N2O4+ 2 213.0864 -2.46
+  303.1769 C11H23N6O4+ 5 303.177 -0.4
+PK$NUM_PEAK: 23
+PK$PEAK: m/z int. rel.int.
+  105.0693 423831.2 353
+  107.085 137097.1 114
+  112.0862 222504.6 185
+  114.102 32997.2 27
+  115.0536 78131.4 65
+  115.0859 104677.5 87
+  117.0693 178365.9 148
+  122.0958 29298.9 24
+  127.0859 446070.3 372
+  133.1008 41903 34
+  135.0799 1196845.6 999
+  138.0542 25612.2 21
+  140.0812 70243.5 58
+  145.1005 27768.4 23
+  155.0806 137860.4 115
+  157.1083 96916 80
+  161.095 37259.1 31
+  167.0808 92939.7 77
+  195.0754 50063.7 41
+  200.1132 76537 63
+  209.131 60849 50
+  213.0859 179581.5 149
+  303.1769 55201.1 46
+//
diff --git a/Eawag/MSBNK-EAWAG-ED182397.txt b/Eawag/MSBNK-EAWAG-ED182397.txt
new file mode 100644
index 0000000000..923c29233b
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED182397.txt
@@ -0,0 +1,88 @@
+ACCESSION: MSBNK-EAWAG-ED182397
+RECORD_TITLE: MC-LR; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+2H]2+; First mass: auto
+DATE: 2024.04.29
+AUTHORS: E. Janssen [dtc], V. Rouge [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1823
+CH$NAME: MC-LR
+CH$NAME: Microcystin-LR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C49H74N10O12
+CH$EXACT_MASS: 994.5487678
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C49H74N10O12/c1-26(2)23-37-46(66)58-40(48(69)70)30(6)42(62)55-35(17-14-22-52-49(50)51)45(65)54-34(19-18-27(3)24-28(4)38(71-10)25-33-15-12-11-13-16-33)29(5)41(61)56-36(47(67)68)20-21-39(60)59(9)32(8)44(64)53-31(7)43(63)57-37/h11-13,15-16,18-19,24,26,28-31,34-38,40H,8,14,17,20-23,25H2,1-7,9-10H3,(H,53,64)(H,54,65)(H,55,62)(H,56,61)(H,57,63)(H,58,66)(H,67,68)(H,69,70)(H4,50,51,52)/b19-18+,27-24+/t28-,29-,30-,31+,34-,35-,36+,37-,38-,40+/m0/s1
+CH$LINK: CAS 101043-37-2
+CH$LINK: CHEBI 6925
+CH$LINK: KEGG C05371
+CH$LINK: PUBCHEM CID:445434
+CH$LINK: INCHIKEY ZYZCGGRZINLQBL-GWRQVWKTSA-N
+CH$LINK: CHEMSPIDER 393078
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 103-1038
+AC$CHROMATOGRAPHY: COLUMN_NAME Acwuity UPLC HSS T3 1.8um, 3x100mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 85/15 at 0 min, 0/100 at 21 min, 0/100 at 25 min, 2/98 at 25.1 min, 2/98 at 31 min, 85/15 at 31.1 min, 85/15 at 33 min
+AC$CHROMATOGRAPHY: FLOW_RATE 300 uL/min at 0 min, 650 uL/min at 25.1 min, 300 uL/min at 31.1 min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.848 min
+MS$FOCUSED_ION: BASE_PEAK 498.2811
+MS$FOCUSED_ION: PRECURSOR_M/Z 498.2817
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+2H]2+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-05p9-0900000000-9993fefc35476e347658
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  105.0693 C8H9+ 1 105.0693 -0.63
+  107.085 C8H11+ 1 107.085 0.47
+  112.0864 C5H10N3+ 1 112.0864 -0.14
+  113.0705 C5H9N2O+ 1 113.0704 1.09
+  114.102 C5H12N3+ 1 114.102 -0.65
+  115.0536 C9H7+ 1 115.0537 -0.42
+  115.0859 C5H11N2O+ 1 115.086 -1.54
+  117.0693 C9H9+ 1 117.0693 -0.57
+  127.0858 C6H11N2O+ 1 127.086 -1.58
+  135.0799 C9H11O+ 1 135.0799 -0.16
+  140.0813 C6H10N3O+ 1 140.0813 0.24
+  141.0656 C6H9N2O2+ 1 141.0653 1.77
+  155.0808 C7H11N2O2+ 1 155.081 -1.3
+  157.1331 C8H17N2O+ 1 157.133 0.87
+  163.1116 C11H15O+ 1 163.1112 2.33
+  167.0808 C8H11N2O2+ 1 167.081 -0.85
+  171.1131 C8H15N2O2+ 1 171.1123 4.81
+  174.1341 C6H16N5O+ 1 174.1344 -1.53
+  183.0863 C7H11N4O2+ 3 183.0871 -4.15
+  201.0974 C7H13N4O3+ 1 201.0977 -1.5
+  225.1336 C9H21O6+ 3 225.1327 3.79
+PK$NUM_PEAK: 21
+PK$PEAK: m/z int. rel.int.
+  105.0693 409470.7 630
+  107.085 163277.5 251
+  112.0864 164615.8 253
+  113.0705 38604.4 59
+  114.102 41904.4 64
+  115.0536 72755.2 112
+  115.0859 120802.4 186
+  117.0693 163987.9 252
+  127.0858 408513.7 629
+  135.0799 648343.8 999
+  140.0813 65929.1 101
+  141.0656 39292.7 60
+  155.0808 67402.3 103
+  157.1331 32819.9 50
+  163.1116 42441.9 65
+  167.0808 96728.1 149
+  171.1131 19054.3 29
+  174.1341 46606.1 71
+  183.0863 48901.3 75
+  201.0974 48726.1 75
+  225.1336 21555.9 33
+//
diff --git a/Eawag/MSBNK-EAWAG-ED182398.txt b/Eawag/MSBNK-EAWAG-ED182398.txt
new file mode 100644
index 0000000000..0d0e82cdc7
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED182398.txt
@@ -0,0 +1,76 @@
+ACCESSION: MSBNK-EAWAG-ED182398
+RECORD_TITLE: MC-LR; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+2H]2+; First mass: auto
+DATE: 2024.04.29
+AUTHORS: E. Janssen [dtc], V. Rouge [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1823
+CH$NAME: MC-LR
+CH$NAME: Microcystin-LR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C49H74N10O12
+CH$EXACT_MASS: 994.5487678
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C49H74N10O12/c1-26(2)23-37-46(66)58-40(48(69)70)30(6)42(62)55-35(17-14-22-52-49(50)51)45(65)54-34(19-18-27(3)24-28(4)38(71-10)25-33-15-12-11-13-16-33)29(5)41(61)56-36(47(67)68)20-21-39(60)59(9)32(8)44(64)53-31(7)43(63)57-37/h11-13,15-16,18-19,24,26,28-31,34-38,40H,8,14,17,20-23,25H2,1-7,9-10H3,(H,53,64)(H,54,65)(H,55,62)(H,56,61)(H,57,63)(H,58,66)(H,67,68)(H,69,70)(H4,50,51,52)/b19-18+,27-24+/t28-,29-,30-,31+,34-,35-,36+,37-,38-,40+/m0/s1
+CH$LINK: CAS 101043-37-2
+CH$LINK: CHEBI 6925
+CH$LINK: KEGG C05371
+CH$LINK: PUBCHEM CID:445434
+CH$LINK: INCHIKEY ZYZCGGRZINLQBL-GWRQVWKTSA-N
+CH$LINK: CHEMSPIDER 393078
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 103-1038
+AC$CHROMATOGRAPHY: COLUMN_NAME Acwuity UPLC HSS T3 1.8um, 3x100mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 85/15 at 0 min, 0/100 at 21 min, 0/100 at 25 min, 2/98 at 25.1 min, 2/98 at 31 min, 85/15 at 31.1 min, 85/15 at 33 min
+AC$CHROMATOGRAPHY: FLOW_RATE 300 uL/min at 0 min, 650 uL/min at 25.1 min, 300 uL/min at 31.1 min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.848 min
+MS$FOCUSED_ION: BASE_PEAK 498.2811
+MS$FOCUSED_ION: PRECURSOR_M/Z 498.2817
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+2H]2+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0699-0900000000-f540caec1a026fc256d1
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  105.0693 C8H9+ 1 105.0693 -0.19
+  112.0862 C5H10N3+ 1 112.0864 -1.71
+  113.0708 C5H9N2O+ 1 113.0704 3.18
+  115.0536 C9H7+ 1 115.0537 -0.75
+  115.086 C5H11N2O+ 1 115.086 -0.61
+  117.0693 C9H9+ 1 117.0693 -0.43
+  127.086 C6H11N2O+ 1 127.086 -0.56
+  131.0851 C10H11+ 1 131.085 1.23
+  135.0799 C9H11O+ 1 135.0799 -0.05
+  140.0816 C6H10N3O+ 1 140.0813 2.53
+  141.066 C6H9N2O2+ 1 141.0653 4.91
+  145.1008 C11H13+ 1 145.1006 1.18
+  157.1076 C6H13N4O+ 1 157.1078 -1.61
+  167.0813 C8H11N2O2+ 1 167.081 1.89
+  213.0858 C9H13N2O4+ 2 213.0864 -3.18
+PK$NUM_PEAK: 15
+PK$PEAK: m/z int. rel.int.
+  105.0693 420655.7 951
+  112.0862 177829.7 402
+  113.0708 35486.5 80
+  115.0536 93736.1 211
+  115.086 94770.7 214
+  117.0693 181206.8 409
+  127.086 409971.4 926
+  131.0851 57747 130
+  135.0799 441824.5 999
+  140.0816 51474.4 116
+  141.066 52487.5 118
+  145.1008 23753.4 53
+  157.1076 31102.2 70
+  167.0813 86746.4 196
+  213.0858 41182.6 93
+//
diff --git a/Eawag/MSBNK-EAWAG-ED183451.txt b/Eawag/MSBNK-EAWAG-ED183451.txt
new file mode 100644
index 0000000000..2a313b6870
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED183451.txt
@@ -0,0 +1,53 @@
+ACCESSION: MSBNK-EAWAG-ED183451
+RECORD_TITLE: [Leu1,D-Asp3]MC-LR (and isomers); LC-ESI-QFT; MS2; CE: 15%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], K. Thomas [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 1834
+CH$NAME: [Leu1,D-Asp3]MC-LR (and isomers)
+CH$NAME: [D-Leu1,D-Asp3]MC-LR
+CH$NAME: (5R,8S,11R,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,19-dimethyl-2-methylidene-5,8-bis(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C51H78N10O12
+CH$EXACT_MASS: 1022.580068
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)C[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C51H78N10O12/c1-28(2)23-38-47(67)59-39(24-29(3)4)48(68)60-40(50(71)72)27-42(62)55-36(17-14-22-54-51(52)53)46(66)56-35(19-18-30(5)25-31(6)41(73-10)26-34-15-12-11-13-16-34)32(7)44(64)57-37(49(69)70)20-21-43(63)61(9)33(8)45(65)58-38/h11-13,15-16,18-19,25,28-29,31-32,35-41H,8,14,17,20-24,26-27H2,1-7,9-10H3,(H,55,62)(H,56,66)(H,57,64)(H,58,65)(H,59,67)(H,60,68)(H,69,70)(H,71,72)(H4,52,53,54)/b19-18+,30-25+/t31-,32-,35-,36-,37+,38+,39-,40+,41-/m0/s1
+CH$LINK: CHEBI 214405
+CH$LINK: PUBCHEM CID:146683869
+CH$LINK: INCHIKEY AVSMHCMQBTVLHC-IBQQIYNOSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 106-1063
+AC$CHROMATOGRAPHY: COLUMN_NAME Acwuity UPLC HSS T3 1.8um, 3x100mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 85/15 at 0 min, 0/100 at 21 min, 0/100 at 25 min, 2/98 at 25.1 min, 2/98 at 31 min, 85/15 at 31.1 min, 85/15 at 33 min
+AC$CHROMATOGRAPHY: FLOW_RATE 300 uL/min at 0 min, 650 uL/min at 25.1 min, 300 uL/min at 31.1 min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.861 min
+MS$FOCUSED_ION: BASE_PEAK 985.5038
+MS$FOCUSED_ION: PRECURSOR_M/Z 1021.5728
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0079-4000000109-bb472464bcf8e2323512
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  113.5091 C4H65- 1 113.5092 -1.01
+  712.3669 C37H52N4O10- 11 712.3689 -2.76
+  756.393 C51H52N2O4- 11 756.3933 -0.37
+  985.5039 C51H69N8O12- 1 985.504 -0.19
+  1021.5733 C51H77N10O12- 1 1021.5728 0.48
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  113.5091 64084.1 28
+  712.3669 129314.6 57
+  756.393 313893.6 140
+  985.5039 2238402 999
+  1021.5733 1230179.4 549
+//
diff --git a/Eawag/MSBNK-EAWAG-ED183452.txt b/Eawag/MSBNK-EAWAG-ED183452.txt
new file mode 100644
index 0000000000..5131420e87
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED183452.txt
@@ -0,0 +1,53 @@
+ACCESSION: MSBNK-EAWAG-ED183452
+RECORD_TITLE: [Leu1,D-Asp3]MC-LR (and isomers); LC-ESI-QFT; MS2; CE: 20%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], K. Thomas [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 1834
+CH$NAME: [Leu1,D-Asp3]MC-LR (and isomers)
+CH$NAME: [D-Leu1,D-Asp3]MC-LR
+CH$NAME: (5R,8S,11R,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,19-dimethyl-2-methylidene-5,8-bis(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C51H78N10O12
+CH$EXACT_MASS: 1022.580068
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)C[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C51H78N10O12/c1-28(2)23-38-47(67)59-39(24-29(3)4)48(68)60-40(50(71)72)27-42(62)55-36(17-14-22-54-51(52)53)46(66)56-35(19-18-30(5)25-31(6)41(73-10)26-34-15-12-11-13-16-34)32(7)44(64)57-37(49(69)70)20-21-43(63)61(9)33(8)45(65)58-38/h11-13,15-16,18-19,25,28-29,31-32,35-41H,8,14,17,20-24,26-27H2,1-7,9-10H3,(H,55,62)(H,56,66)(H,57,64)(H,58,65)(H,59,67)(H,60,68)(H,69,70)(H,71,72)(H4,52,53,54)/b19-18+,30-25+/t31-,32-,35-,36-,37+,38+,39-,40+,41-/m0/s1
+CH$LINK: CHEBI 214405
+CH$LINK: PUBCHEM CID:146683869
+CH$LINK: INCHIKEY AVSMHCMQBTVLHC-IBQQIYNOSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 106-1063
+AC$CHROMATOGRAPHY: COLUMN_NAME Acwuity UPLC HSS T3 1.8um, 3x100mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 85/15 at 0 min, 0/100 at 21 min, 0/100 at 25 min, 2/98 at 25.1 min, 2/98 at 31 min, 85/15 at 31.1 min, 85/15 at 33 min
+AC$CHROMATOGRAPHY: FLOW_RATE 300 uL/min at 0 min, 650 uL/min at 25.1 min, 300 uL/min at 31.1 min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.861 min
+MS$FOCUSED_ION: BASE_PEAK 985.5038
+MS$FOCUSED_ION: PRECURSOR_M/Z 1021.5728
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-01w0-7000000907-c20aa4f272da9cbd1d44
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  712.367 C37H52N4O10- 11 712.3689 -2.59
+  756.3932 C51H52N2O4- 10 756.3933 -0.05
+  985.5035 C51H69N8O12- 1 985.504 -0.56
+  1003.5603 C51H75N10O11- 1 1003.5622 -1.89
+  1021.5729 C51H77N10O12- 1 1021.5728 0.06
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  712.367 844224.1 901
+  756.3932 281191.1 300
+  985.5035 935113.5 999
+  1003.5603 79347.2 84
+  1021.5729 881423.2 941
+//
diff --git a/Eawag/MSBNK-EAWAG-ED183453.txt b/Eawag/MSBNK-EAWAG-ED183453.txt
new file mode 100644
index 0000000000..e866b9d915
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED183453.txt
@@ -0,0 +1,53 @@
+ACCESSION: MSBNK-EAWAG-ED183453
+RECORD_TITLE: [Leu1,D-Asp3]MC-LR (and isomers); LC-ESI-QFT; MS2; CE: 25%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], K. Thomas [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 1834
+CH$NAME: [Leu1,D-Asp3]MC-LR (and isomers)
+CH$NAME: [D-Leu1,D-Asp3]MC-LR
+CH$NAME: (5R,8S,11R,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,19-dimethyl-2-methylidene-5,8-bis(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C51H78N10O12
+CH$EXACT_MASS: 1022.580068
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)C[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C51H78N10O12/c1-28(2)23-38-47(67)59-39(24-29(3)4)48(68)60-40(50(71)72)27-42(62)55-36(17-14-22-54-51(52)53)46(66)56-35(19-18-30(5)25-31(6)41(73-10)26-34-15-12-11-13-16-34)32(7)44(64)57-37(49(69)70)20-21-43(63)61(9)33(8)45(65)58-38/h11-13,15-16,18-19,25,28-29,31-32,35-41H,8,14,17,20-24,26-27H2,1-7,9-10H3,(H,55,62)(H,56,66)(H,57,64)(H,58,65)(H,59,67)(H,60,68)(H,69,70)(H,71,72)(H4,52,53,54)/b19-18+,30-25+/t31-,32-,35-,36-,37+,38+,39-,40+,41-/m0/s1
+CH$LINK: CHEBI 214405
+CH$LINK: PUBCHEM CID:146683869
+CH$LINK: INCHIKEY AVSMHCMQBTVLHC-IBQQIYNOSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 106-1063
+AC$CHROMATOGRAPHY: COLUMN_NAME Acwuity UPLC HSS T3 1.8um, 3x100mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 85/15 at 0 min, 0/100 at 21 min, 0/100 at 25 min, 2/98 at 25.1 min, 2/98 at 31 min, 85/15 at 31.1 min, 85/15 at 33 min
+AC$CHROMATOGRAPHY: FLOW_RATE 300 uL/min at 0 min, 650 uL/min at 25.1 min, 300 uL/min at 31.1 min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.861 min
+MS$FOCUSED_ION: BASE_PEAK 985.5038
+MS$FOCUSED_ION: PRECURSOR_M/Z 1021.5728
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-03dr-6000000904-edc57e41c83c5aa4adf8
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  113.5092 C4H65- 1 113.5092 0.14
+  712.3671 C37H52N4O10- 10 712.3689 -2.5
+  985.5037 C51H69N8O12- 1 985.504 -0.31
+  1003.5609 C51H75N10O11- 1 1003.5622 -1.34
+  1021.5721 C51H77N10O12- 1 1021.5728 -0.71
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  113.5092 30086.1 26
+  712.3671 1127561.2 999
+  985.5037 623447.2 552
+  1003.5609 291158.8 257
+  1021.5721 541717.2 479
+//
diff --git a/Eawag/MSBNK-EAWAG-ED183454.txt b/Eawag/MSBNK-EAWAG-ED183454.txt
new file mode 100644
index 0000000000..ffd80473e3
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED183454.txt
@@ -0,0 +1,51 @@
+ACCESSION: MSBNK-EAWAG-ED183454
+RECORD_TITLE: [Leu1,D-Asp3]MC-LR (and isomers); LC-ESI-QFT; MS2; CE: 30%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], K. Thomas [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 1834
+CH$NAME: [Leu1,D-Asp3]MC-LR (and isomers)
+CH$NAME: [D-Leu1,D-Asp3]MC-LR
+CH$NAME: (5R,8S,11R,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,19-dimethyl-2-methylidene-5,8-bis(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C51H78N10O12
+CH$EXACT_MASS: 1022.580068
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)C[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C51H78N10O12/c1-28(2)23-38-47(67)59-39(24-29(3)4)48(68)60-40(50(71)72)27-42(62)55-36(17-14-22-54-51(52)53)46(66)56-35(19-18-30(5)25-31(6)41(73-10)26-34-15-12-11-13-16-34)32(7)44(64)57-37(49(69)70)20-21-43(63)61(9)33(8)45(65)58-38/h11-13,15-16,18-19,25,28-29,31-32,35-41H,8,14,17,20-24,26-27H2,1-7,9-10H3,(H,55,62)(H,56,66)(H,57,64)(H,58,65)(H,59,67)(H,60,68)(H,69,70)(H,71,72)(H4,52,53,54)/b19-18+,30-25+/t31-,32-,35-,36-,37+,38+,39-,40+,41-/m0/s1
+CH$LINK: CHEBI 214405
+CH$LINK: PUBCHEM CID:146683869
+CH$LINK: INCHIKEY AVSMHCMQBTVLHC-IBQQIYNOSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 106-1063
+AC$CHROMATOGRAPHY: COLUMN_NAME Acwuity UPLC HSS T3 1.8um, 3x100mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 85/15 at 0 min, 0/100 at 21 min, 0/100 at 25 min, 2/98 at 25.1 min, 2/98 at 31 min, 85/15 at 31.1 min, 85/15 at 33 min
+AC$CHROMATOGRAPHY: FLOW_RATE 300 uL/min at 0 min, 650 uL/min at 25.1 min, 300 uL/min at 31.1 min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.861 min
+MS$FOCUSED_ION: BASE_PEAK 985.5038
+MS$FOCUSED_ION: PRECURSOR_M/Z 1021.5728
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-03di-5000000904-3a6b735257aa38577921
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  712.3668 C37H52N4O10- 11 712.3689 -2.93
+  985.5042 C51H69N8O12- 1 985.504 0.12
+  1003.5621 C51H75N10O11- 1 1003.5622 -0.13
+  1021.5713 C51H77N10O12- 1 1021.5728 -1.43
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  712.3668 972072.1 999
+  985.5042 454988.4 467
+  1003.5621 462557.2 475
+  1021.5713 170476.3 175
+//
diff --git a/Eawag/MSBNK-EAWAG-ED183455.txt b/Eawag/MSBNK-EAWAG-ED183455.txt
new file mode 100644
index 0000000000..4ab4c8c88b
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED183455.txt
@@ -0,0 +1,57 @@
+ACCESSION: MSBNK-EAWAG-ED183455
+RECORD_TITLE: [Leu1,D-Asp3]MC-LR (and isomers); LC-ESI-QFT; MS2; CE: 35%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], K. Thomas [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 1834
+CH$NAME: [Leu1,D-Asp3]MC-LR (and isomers)
+CH$NAME: [D-Leu1,D-Asp3]MC-LR
+CH$NAME: (5R,8S,11R,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,19-dimethyl-2-methylidene-5,8-bis(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C51H78N10O12
+CH$EXACT_MASS: 1022.580068
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)C[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C51H78N10O12/c1-28(2)23-38-47(67)59-39(24-29(3)4)48(68)60-40(50(71)72)27-42(62)55-36(17-14-22-54-51(52)53)46(66)56-35(19-18-30(5)25-31(6)41(73-10)26-34-15-12-11-13-16-34)32(7)44(64)57-37(49(69)70)20-21-43(63)61(9)33(8)45(65)58-38/h11-13,15-16,18-19,25,28-29,31-32,35-41H,8,14,17,20-24,26-27H2,1-7,9-10H3,(H,55,62)(H,56,66)(H,57,64)(H,58,65)(H,59,67)(H,60,68)(H,69,70)(H,71,72)(H4,52,53,54)/b19-18+,30-25+/t31-,32-,35-,36-,37+,38+,39-,40+,41-/m0/s1
+CH$LINK: CHEBI 214405
+CH$LINK: PUBCHEM CID:146683869
+CH$LINK: INCHIKEY AVSMHCMQBTVLHC-IBQQIYNOSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 35 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 106-1063
+AC$CHROMATOGRAPHY: COLUMN_NAME Acwuity UPLC HSS T3 1.8um, 3x100mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 85/15 at 0 min, 0/100 at 21 min, 0/100 at 25 min, 2/98 at 25.1 min, 2/98 at 31 min, 85/15 at 31.1 min, 85/15 at 33 min
+AC$CHROMATOGRAPHY: FLOW_RATE 300 uL/min at 0 min, 650 uL/min at 25.1 min, 300 uL/min at 31.1 min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.861 min
+MS$FOCUSED_ION: BASE_PEAK 985.5038
+MS$FOCUSED_ION: PRECURSOR_M/Z 1021.5728
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0ik9-3100022900-0fbd8a02290a6cff6b6a
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  128.0352 C5H6NO3- 1 128.0353 -0.69
+  325.2241 C16H29N4O3- 4 325.2245 -1.42
+  514.265 C24H34N8O5- 7 514.2658 -1.49
+  656.3413 C32H46N7O8- 11 656.3413 -0.01
+  704.3666 C50H46N3O- 9 704.3646 2.85
+  712.3677 C37H52N4O10- 10 712.3689 -1.73
+  1003.5604 C51H75N10O11- 1 1003.5622 -1.83
+PK$NUM_PEAK: 7
+PK$PEAK: m/z int. rel.int.
+  128.0352 88727.9 238
+  325.2241 47716.8 128
+  514.265 109840.3 295
+  656.3413 98493.2 265
+  704.3666 71320.7 192
+  712.3677 371056.9 999
+  1003.5604 188202.8 506
+//
diff --git a/Eawag/MSBNK-EAWAG-ED183501.txt b/Eawag/MSBNK-EAWAG-ED183501.txt
new file mode 100644
index 0000000000..b791152bc7
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED183501.txt
@@ -0,0 +1,88 @@
+ACCESSION: MSBNK-EAWAG-ED183501
+RECORD_TITLE: MC-FL; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], A. Miglione [dtc], L. Tartaglione [dtc], C. Dell'Aversano [dtc], M. Simonazzi [dtc], L. Pezzolesi [dtc], F. Guerrini [dtc], R. Pistocchi [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.toxicon.2013.03.016
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1835
+CH$NAME: MC-FL
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-8-benzyl-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-15-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H71N7O12
+CH$EXACT_MASS: 985.5160707
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C52H71N7O12/c1-29(2)25-40-49(65)54-38(22-21-30(3)26-31(4)42(71-10)28-37-19-15-12-16-20-37)32(5)45(61)55-39(51(67)68)23-24-43(60)59(9)35(8)48(64)53-34(7)47(63)57-41(27-36-17-13-11-14-18-36)50(66)58-44(52(69)70)33(6)46(62)56-40/h11-22,26,29,31-34,38-42,44H,8,23-25,27-28H2,1-7,9-10H3,(H,53,64)(H,54,65)(H,55,61)(H,56,62)(H,57,63)(H,58,66)(H,67,68)(H,69,70)/b22-21+,30-26+/t31-,32-,33-,34+,38-,39+,40-,41-,42-,44+/m0/s1
+CH$LINK: PUBCHEM CID:146683818
+CH$LINK: INCHIKEY JNMCFADRRBGAIM-QVWKUIOOSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 102-1027
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 12.017 min
+MS$FOCUSED_ION: BASE_PEAK 111.0206
+MS$FOCUSED_ION: PRECURSOR_M/Z 986.5233
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0f79-0000331079-100857847b3dbe49e930
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  163.1116 C11H15O+ 1 163.1117 -0.81
+  213.0868 C9H13N2O4+ 1 213.087 -1.09
+  258.1848 C17H24NO+ 4 258.1852 -1.6
+  294.1445 C14H20N3O4+ 2 294.1448 -1.06
+  375.1915 C20H27N2O5+ 5 375.1914 0.11
+  407.2288 C20H31N4O5+ 5 407.2289 -0.35
+  446.2284 C23H32N3O6+ 4 446.2286 -0.34
+  460.2552 C23H34N5O5+ 4 460.2554 -0.51
+  477.2385 C14H35N7O11+ 5 477.2389 -0.86
+  478.266 C25H38N2O7+ 4 478.2674 -2.77
+  509.265 C29H37N2O6+ 5 509.2646 0.74
+  543.2918 C29H41N3O7+ 6 543.2939 -3.78
+  544.2766 C27H38N5O7+ 6 544.2766 0.14
+  561.3034 C27H41N6O7+ 7 561.3031 0.42
+  672.3351 C32H46N7O9+ 8 672.3352 -0.05
+  673.3222 C32H45N6O10+ 8 673.3192 4.47
+  693.3861 C38H53N4O8+ 7 693.3858 0.44
+  807.4304 C44H61N3O11+ 6 807.4301 0.4
+  835.4242 C43H59N6O11+ 4 835.4236 0.71
+  852.4504 C43H62N7O11+ 3 852.4502 0.27
+  968.5137 C52H70N7O11+ 1 968.5128 1
+  969.4977 C52H69N6O12+ 1 969.4968 0.93
+  986.5238 C52H72N7O12+ 1 986.5233 0.41
+PK$NUM_PEAK: 23
+PK$PEAK: m/z int. rel.int.
+  163.1116 17571.1 15
+  213.0868 12763.5 11
+  258.1848 45990.7 41
+  294.1445 30665.4 27
+  375.1915 114202.7 102
+  407.2288 92113.1 82
+  446.2284 60474.5 54
+  460.2552 21589.4 19
+  477.2385 34706.9 31
+  478.266 405668.3 364
+  509.265 142198.3 127
+  543.2918 42054.1 37
+  544.2766 134806 121
+  561.3034 217095.8 194
+  672.3351 35740.9 32
+  673.3222 28709.1 25
+  693.3861 119889.3 107
+  807.4304 26450.4 23
+  835.4242 355229.9 318
+  852.4504 849917.5 762
+  968.5137 235035.9 210
+  969.4977 174088.1 156
+  986.5238 1112828.4 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED183502.txt b/Eawag/MSBNK-EAWAG-ED183502.txt
new file mode 100644
index 0000000000..7893650ec9
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED183502.txt
@@ -0,0 +1,90 @@
+ACCESSION: MSBNK-EAWAG-ED183502
+RECORD_TITLE: MC-FL; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], A. Miglione [dtc], L. Tartaglione [dtc], C. Dell'Aversano [dtc], M. Simonazzi [dtc], L. Pezzolesi [dtc], F. Guerrini [dtc], R. Pistocchi [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.toxicon.2013.03.016
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1835
+CH$NAME: MC-FL
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-8-benzyl-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-15-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H71N7O12
+CH$EXACT_MASS: 985.5160707
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C52H71N7O12/c1-29(2)25-40-49(65)54-38(22-21-30(3)26-31(4)42(71-10)28-37-19-15-12-16-20-37)32(5)45(61)55-39(51(67)68)23-24-43(60)59(9)35(8)48(64)53-34(7)47(63)57-41(27-36-17-13-11-14-18-36)50(66)58-44(52(69)70)33(6)46(62)56-40/h11-22,26,29,31-34,38-42,44H,8,23-25,27-28H2,1-7,9-10H3,(H,53,64)(H,54,65)(H,55,61)(H,56,62)(H,57,63)(H,58,66)(H,67,68)(H,69,70)/b22-21+,30-26+/t31-,32-,33-,34+,38-,39+,40-,41-,42-,44+/m0/s1
+CH$LINK: PUBCHEM CID:146683818
+CH$LINK: INCHIKEY JNMCFADRRBGAIM-QVWKUIOOSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 102-1027
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 12.017 min
+MS$FOCUSED_ION: BASE_PEAK 111.0206
+MS$FOCUSED_ION: PRECURSOR_M/Z 986.5233
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0pdm-0150690021-11e82073535862853b30
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  135.0804 C9H11O+ 1 135.0804 -0.06
+  163.1116 C11H15O+ 1 163.1117 -0.9
+  195.0762 C9H11N2O3+ 1 195.0764 -0.95
+  213.087 C9H13N2O4+ 1 213.087 -0.09
+  237.1636 C18H21+ 3 237.1638 -0.65
+  249.1232 C11H15N5O2+ 2 249.122 4.62
+  258.1848 C17H24NO+ 4 258.1852 -1.6
+  265.1592 C5H23N5O7+ 3 265.1592 -0.16
+  268.1656 C13H22N3O3+ 2 268.1656 0.27
+  294.1445 C14H20N3O4+ 2 294.1448 -1.27
+  297.1852 C6H27N5O8+ 3 297.1854 -0.79
+  347.1972 C5H29N7O10+ 4 347.197 0.34
+  407.2291 C20H31N4O5+ 5 407.2289 0.62
+  433.2451 C22H33N4O5+ 6 433.2445 1.35
+  446.2286 C23H32N3O6+ 4 446.2286 0.14
+  478.2664 C25H38N2O7+ 5 478.2674 -2.07
+  509.265 C29H37N2O6+ 5 509.2646 0.74
+  516.2822 C26H38N5O6+ 5 516.2817 0.95
+  544.2764 C27H38N5O7+ 6 544.2766 -0.31
+  559.3133 C31H45NO8+ 6 559.314 -1.19
+  561.3031 C27H41N6O7+ 8 561.3031 -0.01
+  580.3021 C32H42N3O7+ 6 580.3017 0.56
+  852.4503 C43H62N7O11+ 3 852.4502 0.2
+  968.5122 C52H70N7O11+ 1 968.5128 -0.64
+PK$NUM_PEAK: 24
+PK$PEAK: m/z int. rel.int.
+  135.0804 48102 165
+  163.1116 92959.6 319
+  195.0762 46912.3 161
+  213.087 77273.3 265
+  237.1636 18120.8 62
+  249.1232 63998.8 219
+  258.1848 101069.1 347
+  265.1592 36319.3 124
+  268.1656 39933.3 137
+  294.1445 132223.2 454
+  297.1852 45397.3 156
+  347.1972 42106.8 144
+  407.2291 118585.6 407
+  433.2451 27255.2 93
+  446.2286 204224 702
+  478.2664 290621.8 999
+  509.265 141423.9 486
+  516.2822 52190.5 179
+  544.2764 254466.9 874
+  559.3133 143395.4 492
+  561.3031 150001.3 515
+  580.3021 111209.4 382
+  852.4503 223513.5 768
+  968.5122 100500.5 345
+//
diff --git a/Eawag/MSBNK-EAWAG-ED183503.txt b/Eawag/MSBNK-EAWAG-ED183503.txt
new file mode 100644
index 0000000000..45aec06e35
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED183503.txt
@@ -0,0 +1,96 @@
+ACCESSION: MSBNK-EAWAG-ED183503
+RECORD_TITLE: MC-FL; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], A. Miglione [dtc], L. Tartaglione [dtc], C. Dell'Aversano [dtc], M. Simonazzi [dtc], L. Pezzolesi [dtc], F. Guerrini [dtc], R. Pistocchi [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.toxicon.2013.03.016
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1835
+CH$NAME: MC-FL
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-8-benzyl-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-15-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H71N7O12
+CH$EXACT_MASS: 985.5160707
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C52H71N7O12/c1-29(2)25-40-49(65)54-38(22-21-30(3)26-31(4)42(71-10)28-37-19-15-12-16-20-37)32(5)45(61)55-39(51(67)68)23-24-43(60)59(9)35(8)48(64)53-34(7)47(63)57-41(27-36-17-13-11-14-18-36)50(66)58-44(52(69)70)33(6)46(62)56-40/h11-22,26,29,31-34,38-42,44H,8,23-25,27-28H2,1-7,9-10H3,(H,53,64)(H,54,65)(H,55,61)(H,56,62)(H,57,63)(H,58,66)(H,67,68)(H,69,70)/b22-21+,30-26+/t31-,32-,33-,34+,38-,39+,40-,41-,42-,44+/m0/s1
+CH$LINK: PUBCHEM CID:146683818
+CH$LINK: INCHIKEY JNMCFADRRBGAIM-QVWKUIOOSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 102-1027
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 12.017 min
+MS$FOCUSED_ION: BASE_PEAK 111.0206
+MS$FOCUSED_ION: PRECURSOR_M/Z 986.5233
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-01td-0593310000-94ab89635df7dfe83bae
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  107.0857 C8H11+ 1 107.0855 1.49
+  120.0813 C8H10N+ 1 120.0808 4.35
+  124.1125 C8H14N+ 1 124.1121 3.62
+  127.087 C6H11N2O+ 1 127.0866 2.97
+  135.0805 C9H11O+ 1 135.0804 0.16
+  135.1169 C10H15+ 1 135.1168 0.32
+  155.0815 C7H11N2O2+ 1 155.0815 0.14
+  163.1116 C11H15O+ 1 163.1117 -0.99
+  213.0866 C9H13N2O4+ 2 213.087 -1.73
+  237.1235 C12H17N2O3+ 1 237.1234 0.52
+  237.164 C18H21+ 3 237.1638 1.02
+  249.123 C11H15N5O2+ 2 249.122 3.95
+  258.1848 C17H24NO+ 4 258.1852 -1.72
+  268.1663 C13H22N3O3+ 3 268.1656 2.77
+  277.1185 C14H17N2O4+ 3 277.1183 0.86
+  292.1552 C2H24N6O10+ 4 292.1548 1.21
+  294.1448 C14H20N3O4+ 4 294.1448 -0.02
+  297.1854 C6H27N5O8+ 4 297.1854 0.03
+  351.2031 C5H31N6O11+ 3 351.2045 -3.96
+  375.1914 C20H27N2O5+ 5 375.1914 -0.06
+  407.2276 C19H35O9+ 4 407.2276 0.08
+  446.2287 C23H32N3O6+ 4 446.2286 0.34
+  461.2406 C25H35NO7+ 3 461.2408 -0.52
+  477.2379 C14H35N7O11+ 6 477.2389 -2.01
+  478.2657 C25H38N2O7+ 5 478.2674 -3.54
+  543.2914 C29H41N3O7+ 6 543.2939 -4.57
+  544.2778 C29H40N2O8+ 5 544.2779 -0.2
+PK$NUM_PEAK: 27
+PK$PEAK: m/z int. rel.int.
+  107.0857 43606.9 120
+  120.0813 33881.1 93
+  124.1125 23805.4 65
+  127.087 32325.2 89
+  135.0805 144830.2 399
+  135.1169 26177.5 72
+  155.0815 48833.5 134
+  163.1116 169767 468
+  213.0866 186757.1 514
+  237.1235 30404.6 83
+  237.164 36335.9 100
+  249.123 138964.8 383
+  258.1848 94306.3 259
+  268.1663 93752.6 258
+  277.1185 96771.8 266
+  292.1552 31747.9 87
+  294.1448 178101.9 491
+  297.1854 40966.7 112
+  351.2031 13203.1 36
+  375.1914 362366.5 999
+  407.2276 73498.4 202
+  446.2287 174816.6 481
+  461.2406 32339.9 89
+  477.2379 37460.5 103
+  478.2657 82722.2 228
+  543.2914 36226.2 99
+  544.2778 131455 362
+//
diff --git a/Eawag/MSBNK-EAWAG-ED183504.txt b/Eawag/MSBNK-EAWAG-ED183504.txt
new file mode 100644
index 0000000000..78daead1dd
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED183504.txt
@@ -0,0 +1,104 @@
+ACCESSION: MSBNK-EAWAG-ED183504
+RECORD_TITLE: MC-FL; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], A. Miglione [dtc], L. Tartaglione [dtc], C. Dell'Aversano [dtc], M. Simonazzi [dtc], L. Pezzolesi [dtc], F. Guerrini [dtc], R. Pistocchi [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.toxicon.2013.03.016
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1835
+CH$NAME: MC-FL
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-8-benzyl-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-15-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H71N7O12
+CH$EXACT_MASS: 985.5160707
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C52H71N7O12/c1-29(2)25-40-49(65)54-38(22-21-30(3)26-31(4)42(71-10)28-37-19-15-12-16-20-37)32(5)45(61)55-39(51(67)68)23-24-43(60)59(9)35(8)48(64)53-34(7)47(63)57-41(27-36-17-13-11-14-18-36)50(66)58-44(52(69)70)33(6)46(62)56-40/h11-22,26,29,31-34,38-42,44H,8,23-25,27-28H2,1-7,9-10H3,(H,53,64)(H,54,65)(H,55,61)(H,56,62)(H,57,63)(H,58,66)(H,67,68)(H,69,70)/b22-21+,30-26+/t31-,32-,33-,34+,38-,39+,40-,41-,42-,44+/m0/s1
+CH$LINK: PUBCHEM CID:146683818
+CH$LINK: INCHIKEY JNMCFADRRBGAIM-QVWKUIOOSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 102-1027
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 12.017 min
+MS$FOCUSED_ION: BASE_PEAK 111.0206
+MS$FOCUSED_ION: PRECURSOR_M/Z 986.5233
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03g1-0893000000-7c20801f7be251a151cc
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  107.0857 C8H11+ 1 107.0855 1.56
+  120.0808 C8H10N+ 1 120.0808 0.09
+  124.1124 C8H14N+ 1 124.1121 2.57
+  127.0866 C6H11N2O+ 1 127.0866 0.39
+  135.0805 C9H11O+ 1 135.0804 0.61
+  135.1167 C10H15+ 1 135.1168 -0.58
+  138.055 C7H8NO2+ 1 138.055 0.27
+  155.0816 C7H11N2O2+ 1 155.0815 0.83
+  157.1335 C8H17N2O+ 1 157.1335 -0.06
+  163.1115 C11H15O+ 1 163.1117 -1.27
+  185.1291 C9H17N2O2+ 1 185.1285 3.29
+  195.0761 C9H11N2O3+ 1 195.0764 -1.66
+  209.1311 CH23NO10+ 1 209.1316 -2.66
+  213.0865 C9H13N2O4+ 2 213.087 -2.45
+  218.1535 C14H20NO+ 3 218.1539 -1.94
+  226.1594 C2H22N6O6+ 2 226.1595 -0.45
+  231.1127 C13H15N2O2+ 1 231.1128 -0.36
+  237.1234 C12H17N2O3+ 1 237.1234 0.13
+  243.1336 C11H19N2O4+ 2 243.1339 -1.52
+  246.1489 C15H20NO2+ 3 246.1489 0.28
+  249.1232 C11H15N5O2+ 2 249.122 4.74
+  258.1843 C17H24NO+ 4 258.1852 -3.73
+  268.1652 C13H22N3O3+ 2 268.1656 -1.33
+  277.1184 C14H17N2O4+ 3 277.1183 0.42
+  282.185 C5H26N6O7+ 4 282.1857 -2.62
+  292.1549 C2H24N6O10+ 4 292.1548 0.27
+  294.1444 C14H20N3O4+ 2 294.1448 -1.47
+  329.1869 C5H27N7O9+ 3 329.1865 1.4
+  347.1966 C5H29N7O10+ 4 347.197 -1.15
+  375.1916 C20H27N2O5+ 5 375.1914 0.43
+  397.2089 C20H31NO7+ 3 397.2095 -1.44
+PK$NUM_PEAK: 31
+PK$PEAK: m/z int. rel.int.
+  107.0857 94763.8 360
+  120.0808 60096.6 228
+  124.1124 35887.7 136
+  127.0866 54996.8 209
+  135.0805 253863.7 966
+  135.1167 87792.8 334
+  138.055 21469.6 81
+  155.0816 111934.4 426
+  157.1335 20227 76
+  163.1115 248044.3 944
+  185.1291 28258.7 107
+  195.0761 63626.5 242
+  209.1311 18932.6 72
+  213.0865 257110.8 978
+  218.1535 24558.2 93
+  226.1594 21364.4 81
+  231.1127 25339.3 96
+  237.1234 33282.2 126
+  243.1336 25205.6 95
+  246.1489 70679.7 269
+  249.1232 232071.8 883
+  258.1843 69498.4 264
+  268.1652 96493.2 367
+  277.1184 125310.9 476
+  282.185 21375.1 81
+  292.1549 28141.9 107
+  294.1444 113981.1 433
+  329.1869 28653.5 109
+  347.1966 62637.9 238
+  375.1916 262471.1 999
+  397.2089 112442.8 427
+//
diff --git a/Eawag/MSBNK-EAWAG-ED183505.txt b/Eawag/MSBNK-EAWAG-ED183505.txt
new file mode 100644
index 0000000000..fc301996e5
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED183505.txt
@@ -0,0 +1,92 @@
+ACCESSION: MSBNK-EAWAG-ED183505
+RECORD_TITLE: MC-FL; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], A. Miglione [dtc], L. Tartaglione [dtc], C. Dell'Aversano [dtc], M. Simonazzi [dtc], L. Pezzolesi [dtc], F. Guerrini [dtc], R. Pistocchi [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.toxicon.2013.03.016
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1835
+CH$NAME: MC-FL
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-8-benzyl-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-15-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H71N7O12
+CH$EXACT_MASS: 985.5160707
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C52H71N7O12/c1-29(2)25-40-49(65)54-38(22-21-30(3)26-31(4)42(71-10)28-37-19-15-12-16-20-37)32(5)45(61)55-39(51(67)68)23-24-43(60)59(9)35(8)48(64)53-34(7)47(63)57-41(27-36-17-13-11-14-18-36)50(66)58-44(52(69)70)33(6)46(62)56-40/h11-22,26,29,31-34,38-42,44H,8,23-25,27-28H2,1-7,9-10H3,(H,53,64)(H,54,65)(H,55,61)(H,56,62)(H,57,63)(H,58,66)(H,67,68)(H,69,70)/b22-21+,30-26+/t31-,32-,33-,34+,38-,39+,40-,41-,42-,44+/m0/s1
+CH$LINK: PUBCHEM CID:146683818
+CH$LINK: INCHIKEY JNMCFADRRBGAIM-QVWKUIOOSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 102-1027
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 12.017 min
+MS$FOCUSED_ION: BASE_PEAK 111.0206
+MS$FOCUSED_ION: PRECURSOR_M/Z 986.5233
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-06ri-0930000000-5cd65186d64c69284809
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  103.0546 C8H7+ 1 103.0542 4.05
+  105.0701 C8H9+ 1 105.0699 1.88
+  107.0856 C8H11+ 1 107.0855 0.99
+  117.0699 C9H9+ 1 117.0699 0.18
+  120.0809 C8H10N+ 1 120.0808 1.11
+  124.112 C8H14N+ 1 124.1121 -0.93
+  127.0866 C6H11N2O+ 1 127.0866 -0.27
+  131.0856 C10H11+ 1 131.0855 0.73
+  135.0805 C9H11O+ 1 135.0804 0.16
+  135.1167 C10H15+ 1 135.1168 -0.58
+  138.0548 C7H8NO2+ 1 138.055 -1.38
+  143.0858 C11H11+ 1 143.0855 1.88
+  155.0814 C7H11N2O2+ 1 155.0815 -0.35
+  163.1117 C11H15O+ 1 163.1117 -0.43
+  167.0811 C8H11N2O2+ 1 167.0815 -2.42
+  195.0761 C9H11N2O3+ 1 195.0764 -1.58
+  209.1308 CH23NO10+ 1 209.1316 -4.04
+  213.0866 C9H13N2O4+ 2 213.087 -1.59
+  218.154 C14H20NO+ 2 218.1539 0.16
+  231.1128 C13H15N2O2+ 1 231.1128 0.03
+  237.164 C18H21+ 3 237.1638 0.89
+  246.1483 C15H20NO2+ 4 246.1489 -2.33
+  249.1229 C11H15N5O2+ 2 249.122 3.7
+  277.1185 C14H17N2O4+ 3 277.1183 0.75
+  347.1968 C5H29N7O10+ 5 347.197 -0.71
+PK$NUM_PEAK: 25
+PK$PEAK: m/z int. rel.int.
+  103.0546 34804.7 93
+  105.0701 66609.9 179
+  107.0856 224198.7 605
+  117.0699 21879.9 59
+  120.0809 184643.3 498
+  124.112 42252.2 114
+  127.0866 190988.4 515
+  131.0856 16217.3 43
+  135.0805 370048.8 999
+  135.1167 221466.6 597
+  138.0548 55462.1 149
+  143.0858 22823.8 61
+  155.0814 203561.9 549
+  163.1117 203475.2 549
+  167.0811 42265 114
+  195.0761 62571 168
+  209.1308 32319.8 87
+  213.0866 292444.6 789
+  218.154 29342.1 79
+  231.1128 25141.3 67
+  237.164 48694.2 131
+  246.1483 38541.6 104
+  249.1229 196056 529
+  277.1185 44362.1 119
+  347.1968 23829 64
+//
diff --git a/Eawag/MSBNK-EAWAG-ED183506.txt b/Eawag/MSBNK-EAWAG-ED183506.txt
new file mode 100644
index 0000000000..0dd58fcbb3
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED183506.txt
@@ -0,0 +1,86 @@
+ACCESSION: MSBNK-EAWAG-ED183506
+RECORD_TITLE: MC-FL; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], A. Miglione [dtc], L. Tartaglione [dtc], C. Dell'Aversano [dtc], M. Simonazzi [dtc], L. Pezzolesi [dtc], F. Guerrini [dtc], R. Pistocchi [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.toxicon.2013.03.016
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1835
+CH$NAME: MC-FL
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-8-benzyl-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-15-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H71N7O12
+CH$EXACT_MASS: 985.5160707
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C52H71N7O12/c1-29(2)25-40-49(65)54-38(22-21-30(3)26-31(4)42(71-10)28-37-19-15-12-16-20-37)32(5)45(61)55-39(51(67)68)23-24-43(60)59(9)35(8)48(64)53-34(7)47(63)57-41(27-36-17-13-11-14-18-36)50(66)58-44(52(69)70)33(6)46(62)56-40/h11-22,26,29,31-34,38-42,44H,8,23-25,27-28H2,1-7,9-10H3,(H,53,64)(H,54,65)(H,55,61)(H,56,62)(H,57,63)(H,58,66)(H,67,68)(H,69,70)/b22-21+,30-26+/t31-,32-,33-,34+,38-,39+,40-,41-,42-,44+/m0/s1
+CH$LINK: PUBCHEM CID:146683818
+CH$LINK: INCHIKEY JNMCFADRRBGAIM-QVWKUIOOSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 102-1027
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 12.017 min
+MS$FOCUSED_ION: BASE_PEAK 111.0206
+MS$FOCUSED_ION: PRECURSOR_M/Z 986.5233
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-06tr-0910000000-a74e2dbf76c39c4df993
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  103.0542 C8H7+ 1 103.0542 0.2
+  105.07 C8H9+ 1 105.0699 0.79
+  107.0856 C8H11+ 1 107.0855 0.84
+  117.0701 C9H9+ 1 117.0699 1.81
+  120.0808 C8H10N+ 1 120.0808 0.41
+  127.0865 C6H11N2O+ 1 127.0866 -0.45
+  131.0856 C10H11+ 1 131.0855 0.26
+  135.0804 C9H11O+ 1 135.0804 -0.4
+  135.1167 C10H15+ 1 135.1168 -0.81
+  138.0551 C7H8NO2+ 1 138.055 0.94
+  143.0855 C11H11+ 1 143.0855 -0.35
+  145.1012 C11H13+ 1 145.1012 -0.14
+  146.0961 C10H12N+ 1 146.0964 -1.91
+  155.0814 C7H11N2O2+ 1 155.0815 -0.65
+  157.1337 C8H17N2O+ 1 157.1335 0.81
+  163.1116 C11H15O+ 1 163.1117 -1.09
+  167.0813 C8H11N2O2+ 1 167.0815 -1.23
+  209.1307 CH23NO10+ 1 209.1316 -4.7
+  213.0866 C9H13N2O4+ 2 213.087 -1.81
+  226.1593 C2H22N6O6+ 2 226.1595 -0.86
+  232.0969 C13H14NO3+ 1 232.0968 0.28
+  249.1227 C11H15N5O2+ 2 249.122 2.66
+PK$NUM_PEAK: 22
+PK$PEAK: m/z int. rel.int.
+  103.0542 92784.2 271
+  105.07 90378.9 264
+  107.0856 340976.8 999
+  117.0701 34031.6 99
+  120.0808 273191.5 800
+  127.0865 307250.3 900
+  131.0856 30928.2 90
+  135.0804 306235.1 897
+  135.1167 250466.5 733
+  138.0551 52882.6 154
+  143.0855 14272.1 41
+  145.1012 16606.3 48
+  146.0961 18715.2 54
+  155.0814 147225.5 431
+  157.1337 21870.4 64
+  163.1116 133984 392
+  167.0813 82251.9 240
+  209.1307 19576.9 57
+  213.0866 196781.2 576
+  226.1593 30776.3 90
+  232.0969 18938.1 55
+  249.1227 92099.1 269
+//
diff --git a/Eawag/MSBNK-EAWAG-ED183507.txt b/Eawag/MSBNK-EAWAG-ED183507.txt
new file mode 100644
index 0000000000..d538150481
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED183507.txt
@@ -0,0 +1,90 @@
+ACCESSION: MSBNK-EAWAG-ED183507
+RECORD_TITLE: MC-FL; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], A. Miglione [dtc], L. Tartaglione [dtc], C. Dell'Aversano [dtc], M. Simonazzi [dtc], L. Pezzolesi [dtc], F. Guerrini [dtc], R. Pistocchi [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.toxicon.2013.03.016
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1835
+CH$NAME: MC-FL
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-8-benzyl-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-15-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H71N7O12
+CH$EXACT_MASS: 985.5160707
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C52H71N7O12/c1-29(2)25-40-49(65)54-38(22-21-30(3)26-31(4)42(71-10)28-37-19-15-12-16-20-37)32(5)45(61)55-39(51(67)68)23-24-43(60)59(9)35(8)48(64)53-34(7)47(63)57-41(27-36-17-13-11-14-18-36)50(66)58-44(52(69)70)33(6)46(62)56-40/h11-22,26,29,31-34,38-42,44H,8,23-25,27-28H2,1-7,9-10H3,(H,53,64)(H,54,65)(H,55,61)(H,56,62)(H,57,63)(H,58,66)(H,67,68)(H,69,70)/b22-21+,30-26+/t31-,32-,33-,34+,38-,39+,40-,41-,42-,44+/m0/s1
+CH$LINK: PUBCHEM CID:146683818
+CH$LINK: INCHIKEY JNMCFADRRBGAIM-QVWKUIOOSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 102-1027
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 12.017 min
+MS$FOCUSED_ION: BASE_PEAK 111.0206
+MS$FOCUSED_ION: PRECURSOR_M/Z 986.5233
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0a70-0900000000-fa7fb39882901c4f385a
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  103.0543 C8H7+ 1 103.0542 1.01
+  105.07 C8H9+ 1 105.0699 0.79
+  107.0856 C8H11+ 1 107.0855 0.92
+  110.0602 C6H8NO+ 1 110.06 1.21
+  115.0545 C9H7+ 1 115.0542 2.06
+  117.0703 C9H9+ 1 117.0699 3.24
+  119.0858 C9H11+ 1 119.0855 2.35
+  120.0807 C8H10N+ 1 120.0808 -0.23
+  127.0866 C6H11N2O+ 1 127.0866 -0.27
+  130.0652 C9H8N+ 1 130.0651 0.65
+  131.0855 C10H11+ 1 131.0855 0.03
+  133.1016 C10H13+ 1 133.1012 3.13
+  135.0805 C9H11O+ 1 135.0804 0.5
+  135.1168 C10H15+ 1 135.1168 -0.35
+  138.0549 C7H8NO2+ 1 138.055 -0.28
+  143.086 C11H11+ 1 143.0855 3.06
+  145.1014 C11H13+ 1 145.1012 1.54
+  146.0964 C10H12N+ 1 146.0964 -0.14
+  149.0711 C8H9N2O+ 1 149.0709 1.38
+  155.0814 C7H11N2O2+ 1 155.0815 -0.65
+  163.1118 C11H15O+ 1 163.1117 0.22
+  167.0813 C8H11N2O2+ 1 167.0815 -0.96
+  195.0759 C9H11N2O3+ 2 195.0764 -2.83
+  213.0868 C9H13N2O4+ 1 213.087 -0.66
+PK$NUM_PEAK: 24
+PK$PEAK: m/z int. rel.int.
+  103.0543 178682.9 492
+  105.07 145223 400
+  107.0856 362674 999
+  110.0602 21779.1 59
+  115.0545 24641.6 67
+  117.0703 49064.7 135
+  119.0858 23390.4 64
+  120.0807 286256.8 788
+  127.0866 346653.2 954
+  130.0652 21170.6 58
+  131.0855 27225.1 74
+  133.1016 22297.9 61
+  135.0805 216463.8 596
+  135.1168 169364.4 466
+  138.0549 36667 101
+  143.086 12178.2 33
+  145.1014 15489.4 42
+  146.0964 26434.9 72
+  149.0711 29444.4 81
+  155.0814 78792.4 217
+  163.1118 54423.6 149
+  167.0813 93150.7 256
+  195.0759 46115.9 127
+  213.0868 86784.6 239
+//
diff --git a/Eawag/MSBNK-EAWAG-ED183508.txt b/Eawag/MSBNK-EAWAG-ED183508.txt
new file mode 100644
index 0000000000..c5e2d8177d
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED183508.txt
@@ -0,0 +1,76 @@
+ACCESSION: MSBNK-EAWAG-ED183508
+RECORD_TITLE: MC-FL; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], A. Miglione [dtc], L. Tartaglione [dtc], C. Dell'Aversano [dtc], M. Simonazzi [dtc], L. Pezzolesi [dtc], F. Guerrini [dtc], R. Pistocchi [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.toxicon.2013.03.016
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1835
+CH$NAME: MC-FL
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-8-benzyl-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-15-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H71N7O12
+CH$EXACT_MASS: 985.5160707
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C52H71N7O12/c1-29(2)25-40-49(65)54-38(22-21-30(3)26-31(4)42(71-10)28-37-19-15-12-16-20-37)32(5)45(61)55-39(51(67)68)23-24-43(60)59(9)35(8)48(64)53-34(7)47(63)57-41(27-36-17-13-11-14-18-36)50(66)58-44(52(69)70)33(6)46(62)56-40/h11-22,26,29,31-34,38-42,44H,8,23-25,27-28H2,1-7,9-10H3,(H,53,64)(H,54,65)(H,55,61)(H,56,62)(H,57,63)(H,58,66)(H,67,68)(H,69,70)/b22-21+,30-26+/t31-,32-,33-,34+,38-,39+,40-,41-,42-,44+/m0/s1
+CH$LINK: PUBCHEM CID:146683818
+CH$LINK: INCHIKEY JNMCFADRRBGAIM-QVWKUIOOSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 102-1027
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 12.017 min
+MS$FOCUSED_ION: BASE_PEAK 111.0206
+MS$FOCUSED_ION: PRECURSOR_M/Z 986.5233
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0adi-0900000000-3c257c1fd7020224b898
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  103.0543 C8H7+ 1 103.0542 0.86
+  105.0701 C8H9+ 1 105.0699 1.66
+  107.0856 C8H11+ 1 107.0855 0.99
+  115.0545 C9H7+ 1 115.0542 2.26
+  117.07 C9H9+ 1 117.0699 0.96
+  119.0859 C9H11+ 1 119.0855 2.8
+  120.0808 C8H10N+ 1 120.0808 0.6
+  127.0866 C6H11N2O+ 1 127.0866 0.15
+  130.0651 C9H8N+ 1 130.0651 -0.06
+  131.0858 C10H11+ 1 131.0855 2.24
+  135.0805 C9H11O+ 1 135.0804 0.27
+  135.1168 C10H15+ 1 135.1168 -0.35
+  149.0711 C8H9N2O+ 1 149.0709 1.38
+  163.1114 C11H15O+ 1 163.1117 -2.02
+  167.0813 C8H11N2O2+ 1 167.0815 -1.23
+  195.0769 C9H11N2O3+ 1 195.0764 2.65
+  213.0865 C9H13N2O4+ 2 213.087 -2.16
+PK$NUM_PEAK: 17
+PK$PEAK: m/z int. rel.int.
+  103.0543 239686.1 709
+  105.0701 153538.8 454
+  107.0856 337648.9 999
+  115.0545 22453.6 66
+  117.07 57374 169
+  119.0859 11582.4 34
+  120.0808 271245.8 802
+  127.0866 316774.2 937
+  130.0651 22386.3 66
+  131.0858 33312.4 98
+  135.0805 114217.2 337
+  135.1168 83828.1 248
+  149.0711 18898.2 55
+  163.1114 21474.8 63
+  167.0813 82964 245
+  195.0769 28507.9 84
+  213.0865 18842 55
+//
diff --git a/Eawag/MSBNK-EAWAG-ED183509.txt b/Eawag/MSBNK-EAWAG-ED183509.txt
new file mode 100644
index 0000000000..37b6bad03f
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED183509.txt
@@ -0,0 +1,74 @@
+ACCESSION: MSBNK-EAWAG-ED183509
+RECORD_TITLE: MC-FL; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], A. Miglione [dtc], L. Tartaglione [dtc], C. Dell'Aversano [dtc], M. Simonazzi [dtc], L. Pezzolesi [dtc], F. Guerrini [dtc], R. Pistocchi [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.toxicon.2013.03.016
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1835
+CH$NAME: MC-FL
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-8-benzyl-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-15-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H71N7O12
+CH$EXACT_MASS: 985.5160707
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C52H71N7O12/c1-29(2)25-40-49(65)54-38(22-21-30(3)26-31(4)42(71-10)28-37-19-15-12-16-20-37)32(5)45(61)55-39(51(67)68)23-24-43(60)59(9)35(8)48(64)53-34(7)47(63)57-41(27-36-17-13-11-14-18-36)50(66)58-44(52(69)70)33(6)46(62)56-40/h11-22,26,29,31-34,38-42,44H,8,23-25,27-28H2,1-7,9-10H3,(H,53,64)(H,54,65)(H,55,61)(H,56,62)(H,57,63)(H,58,66)(H,67,68)(H,69,70)/b22-21+,30-26+/t31-,32-,33-,34+,38-,39+,40-,41-,42-,44+/m0/s1
+CH$LINK: PUBCHEM CID:146683818
+CH$LINK: INCHIKEY JNMCFADRRBGAIM-QVWKUIOOSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 102-1027
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 12.017 min
+MS$FOCUSED_ION: BASE_PEAK 111.0206
+MS$FOCUSED_ION: PRECURSOR_M/Z 986.5233
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0pi0-0900000000-8365f6cfd07ea44d25fa
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  103.0543 C8H7+ 1 103.0542 1.16
+  105.07 C8H9+ 1 105.0699 1.37
+  107.0856 C8H11+ 1 107.0855 0.7
+  110.0605 C6H8NO+ 1 110.06 4.19
+  115.0542 C9H7+ 1 115.0542 -0.2
+  117.07 C9H9+ 1 117.0699 1.03
+  119.0859 C9H11+ 1 119.0855 2.87
+  120.0809 C8H10N+ 1 120.0808 1.17
+  121.0762 C7H9N2+ 1 121.076 1.76
+  127.0866 C6H11N2O+ 1 127.0866 -0.15
+  128.0621 C10H8+ 1 128.0621 0.39
+  129.07 C10H9+ 1 129.0699 1.34
+  130.0654 C9H8N+ 1 130.0651 2.17
+  135.0806 C9H11O+ 1 135.0804 0.84
+  149.071 C8H9N2O+ 1 149.0709 0.56
+  167.0815 C8H11N2O2+ 1 167.0815 0.23
+PK$NUM_PEAK: 16
+PK$PEAK: m/z int. rel.int.
+  103.0543 316874.6 999
+  105.07 181601.7 572
+  107.0856 278205.3 877
+  110.0605 14712.2 46
+  115.0542 36032.4 113
+  117.07 46565 146
+  119.0859 18976.2 59
+  120.0809 254364.3 801
+  121.0762 32400.8 102
+  127.0866 226528.7 714
+  128.0621 11835.8 37
+  129.07 10289.7 32
+  130.0654 15408.3 48
+  135.0806 57924.8 182
+  149.071 25410.5 80
+  167.0815 53692.8 169
+//
diff --git a/Eawag/MSBNK-EAWAG-ED183551.txt b/Eawag/MSBNK-EAWAG-ED183551.txt
new file mode 100644
index 0000000000..846f69e1fd
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED183551.txt
@@ -0,0 +1,46 @@
+ACCESSION: MSBNK-EAWAG-ED183551
+RECORD_TITLE: MC-FL; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], A. Miglione [dtc], L. Tartaglione [dtc], C. Dell'Aversano [dtc], M. Simonazzi [dtc], L. Pezzolesi [dtc], F. Guerrini [dtc], R. Pistocchi [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.toxicon.2013.03.016
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1835
+CH$NAME: MC-FL
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-8-benzyl-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-15-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H71N7O12
+CH$EXACT_MASS: 985.5160707
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C52H71N7O12/c1-29(2)25-40-49(65)54-38(22-21-30(3)26-31(4)42(71-10)28-37-19-15-12-16-20-37)32(5)45(61)55-39(51(67)68)23-24-43(60)59(9)35(8)48(64)53-34(7)47(63)57-41(27-36-17-13-11-14-18-36)50(66)58-44(52(69)70)33(6)46(62)56-40/h11-22,26,29,31-34,38-42,44H,8,23-25,27-28H2,1-7,9-10H3,(H,53,64)(H,54,65)(H,55,61)(H,56,62)(H,57,63)(H,58,66)(H,67,68)(H,69,70)/b22-21+,30-26+/t31-,32-,33-,34+,38-,39+,40-,41-,42-,44+/m0/s1
+CH$LINK: PUBCHEM CID:146683818
+CH$LINK: INCHIKEY JNMCFADRRBGAIM-QVWKUIOOSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 102-1025
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 12.031 min
+MS$FOCUSED_ION: BASE_PEAK 984.51
+MS$FOCUSED_ION: PRECURSOR_M/Z 984.5088
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-001i-0000000009-15ea9f35c30ed9d538d9
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  966.4985 C52H68N7O11- 1 966.4982 0.26
+  984.5094 C52H70N7O12- 1 984.5088 0.63
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  966.4985 216997.8 22
+  984.5094 9532380 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED183552.txt b/Eawag/MSBNK-EAWAG-ED183552.txt
new file mode 100644
index 0000000000..85577d311a
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED183552.txt
@@ -0,0 +1,46 @@
+ACCESSION: MSBNK-EAWAG-ED183552
+RECORD_TITLE: MC-FL; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], A. Miglione [dtc], L. Tartaglione [dtc], C. Dell'Aversano [dtc], M. Simonazzi [dtc], L. Pezzolesi [dtc], F. Guerrini [dtc], R. Pistocchi [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.toxicon.2013.03.016
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1835
+CH$NAME: MC-FL
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-8-benzyl-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-15-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H71N7O12
+CH$EXACT_MASS: 985.5160707
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C52H71N7O12/c1-29(2)25-40-49(65)54-38(22-21-30(3)26-31(4)42(71-10)28-37-19-15-12-16-20-37)32(5)45(61)55-39(51(67)68)23-24-43(60)59(9)35(8)48(64)53-34(7)47(63)57-41(27-36-17-13-11-14-18-36)50(66)58-44(52(69)70)33(6)46(62)56-40/h11-22,26,29,31-34,38-42,44H,8,23-25,27-28H2,1-7,9-10H3,(H,53,64)(H,54,65)(H,55,61)(H,56,62)(H,57,63)(H,58,66)(H,67,68)(H,69,70)/b22-21+,30-26+/t31-,32-,33-,34+,38-,39+,40-,41-,42-,44+/m0/s1
+CH$LINK: PUBCHEM CID:146683818
+CH$LINK: INCHIKEY JNMCFADRRBGAIM-QVWKUIOOSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 102-1025
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 12.031 min
+MS$FOCUSED_ION: BASE_PEAK 984.51
+MS$FOCUSED_ION: PRECURSOR_M/Z 984.5088
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-001i-0000000009-b02770ac30f3f20f865d
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  966.4981 C52H68N7O11- 1 966.4982 -0.18
+  984.5089 C52H70N7O12- 1 984.5088 0.14
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  966.4981 1504531.8 213
+  984.5089 7054542.5 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED183553.txt b/Eawag/MSBNK-EAWAG-ED183553.txt
new file mode 100644
index 0000000000..d7fcd549b3
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED183553.txt
@@ -0,0 +1,48 @@
+ACCESSION: MSBNK-EAWAG-ED183553
+RECORD_TITLE: MC-FL; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], A. Miglione [dtc], L. Tartaglione [dtc], C. Dell'Aversano [dtc], M. Simonazzi [dtc], L. Pezzolesi [dtc], F. Guerrini [dtc], R. Pistocchi [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.toxicon.2013.03.016
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1835
+CH$NAME: MC-FL
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-8-benzyl-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-15-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H71N7O12
+CH$EXACT_MASS: 985.5160707
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C52H71N7O12/c1-29(2)25-40-49(65)54-38(22-21-30(3)26-31(4)42(71-10)28-37-19-15-12-16-20-37)32(5)45(61)55-39(51(67)68)23-24-43(60)59(9)35(8)48(64)53-34(7)47(63)57-41(27-36-17-13-11-14-18-36)50(66)58-44(52(69)70)33(6)46(62)56-40/h11-22,26,29,31-34,38-42,44H,8,23-25,27-28H2,1-7,9-10H3,(H,53,64)(H,54,65)(H,55,61)(H,56,62)(H,57,63)(H,58,66)(H,67,68)(H,69,70)/b22-21+,30-26+/t31-,32-,33-,34+,38-,39+,40-,41-,42-,44+/m0/s1
+CH$LINK: PUBCHEM CID:146683818
+CH$LINK: INCHIKEY JNMCFADRRBGAIM-QVWKUIOOSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 102-1025
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 12.031 min
+MS$FOCUSED_ION: BASE_PEAK 984.51
+MS$FOCUSED_ION: PRECURSOR_M/Z 984.5088
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0159-0000000009-5d4632efbdddc18556fe
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  128.0349 C5H6NO3- 1 128.0353 -3.13
+  966.4979 C52H68N7O11- 1 966.4982 -0.37
+  984.5087 C52H70N7O12- 1 984.5088 -0.05
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  128.0349 74257.3 16
+  966.4979 4410692 999
+  984.5087 3372204 763
+//
diff --git a/Eawag/MSBNK-EAWAG-ED183554.txt b/Eawag/MSBNK-EAWAG-ED183554.txt
new file mode 100644
index 0000000000..375c7234eb
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED183554.txt
@@ -0,0 +1,52 @@
+ACCESSION: MSBNK-EAWAG-ED183554
+RECORD_TITLE: MC-FL; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], A. Miglione [dtc], L. Tartaglione [dtc], C. Dell'Aversano [dtc], M. Simonazzi [dtc], L. Pezzolesi [dtc], F. Guerrini [dtc], R. Pistocchi [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.toxicon.2013.03.016
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1835
+CH$NAME: MC-FL
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-8-benzyl-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-15-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H71N7O12
+CH$EXACT_MASS: 985.5160707
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C52H71N7O12/c1-29(2)25-40-49(65)54-38(22-21-30(3)26-31(4)42(71-10)28-37-19-15-12-16-20-37)32(5)45(61)55-39(51(67)68)23-24-43(60)59(9)35(8)48(64)53-34(7)47(63)57-41(27-36-17-13-11-14-18-36)50(66)58-44(52(69)70)33(6)46(62)56-40/h11-22,26,29,31-34,38-42,44H,8,23-25,27-28H2,1-7,9-10H3,(H,53,64)(H,54,65)(H,55,61)(H,56,62)(H,57,63)(H,58,66)(H,67,68)(H,69,70)/b22-21+,30-26+/t31-,32-,33-,34+,38-,39+,40-,41-,42-,44+/m0/s1
+CH$LINK: PUBCHEM CID:146683818
+CH$LINK: INCHIKEY JNMCFADRRBGAIM-QVWKUIOOSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 102-1025
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 12.031 min
+MS$FOCUSED_ION: BASE_PEAK 984.51
+MS$FOCUSED_ION: PRECURSOR_M/Z 984.5088
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-014i-0100000009-fbff28c2b68c949f6bf6
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  110.0248 C5H4NO2- 1 110.0248 0.64
+  128.0352 C5H6NO3- 1 128.0353 -0.86
+  283.1774 C13H23N4O3- 3 283.1776 -0.66
+  966.4985 C52H68N7O11- 1 966.4982 0.33
+  984.5087 C52H70N7O12- 1 984.5088 -0.11
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  110.0248 99701.1 26
+  128.0352 533512.7 142
+  283.1774 222289.1 59
+  966.4985 3748171.2 999
+  984.5087 536598.1 143
+//
diff --git a/Eawag/MSBNK-EAWAG-ED183555.txt b/Eawag/MSBNK-EAWAG-ED183555.txt
new file mode 100644
index 0000000000..29fe7c3699
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED183555.txt
@@ -0,0 +1,70 @@
+ACCESSION: MSBNK-EAWAG-ED183555
+RECORD_TITLE: MC-FL; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], A. Miglione [dtc], L. Tartaglione [dtc], C. Dell'Aversano [dtc], M. Simonazzi [dtc], L. Pezzolesi [dtc], F. Guerrini [dtc], R. Pistocchi [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.toxicon.2013.03.016
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1835
+CH$NAME: MC-FL
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-8-benzyl-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-15-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H71N7O12
+CH$EXACT_MASS: 985.5160707
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C52H71N7O12/c1-29(2)25-40-49(65)54-38(22-21-30(3)26-31(4)42(71-10)28-37-19-15-12-16-20-37)32(5)45(61)55-39(51(67)68)23-24-43(60)59(9)35(8)48(64)53-34(7)47(63)57-41(27-36-17-13-11-14-18-36)50(66)58-44(52(69)70)33(6)46(62)56-40/h11-22,26,29,31-34,38-42,44H,8,23-25,27-28H2,1-7,9-10H3,(H,53,64)(H,54,65)(H,55,61)(H,56,62)(H,57,63)(H,58,66)(H,67,68)(H,69,70)/b22-21+,30-26+/t31-,32-,33-,34+,38-,39+,40-,41-,42-,44+/m0/s1
+CH$LINK: PUBCHEM CID:146683818
+CH$LINK: INCHIKEY JNMCFADRRBGAIM-QVWKUIOOSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 102-1025
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 12.031 min
+MS$FOCUSED_ION: BASE_PEAK 984.51
+MS$FOCUSED_ION: PRECURSOR_M/Z 984.5088
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-004i-0940000000-7c831a3704912acb0cb2
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  110.0248 C5H4NO2- 1 110.0248 0.15
+  112.0404 C5H6NO2- 1 112.0404 -0.16
+  124.0403 C6H6NO2- 1 124.0404 -1.13
+  127.051 C5H7N2O2- 1 127.0513 -2.41
+  128.0352 C5H6NO3- 1 128.0353 -0.62
+  129.1034 C6H13N2O- 1 129.1033 0.63
+  131.0865 C10H11- 1 131.0866 -0.65
+  139.0875 C7H11N2O- 1 139.0877 -1.55
+  153.0666 C7H9N2O2- 1 153.067 -2.05
+  165.1026 C7H11N5- 2 165.102 3.85
+  182.1294 C9H16N3O- 2 182.1299 -2.47
+  200.1399 C9H18N3O2- 2 200.1405 -2.97
+  265.1667 C13H21N4O2- 3 265.167 -0.98
+  283.1773 C13H23N4O3- 3 283.1776 -0.98
+PK$NUM_PEAK: 14
+PK$PEAK: m/z int. rel.int.
+  110.0248 372965.1 395
+  112.0404 52597.7 55
+  124.0403 71813 76
+  127.051 43951.9 46
+  128.0352 941787.9 999
+  129.1034 58319.1 61
+  131.0865 22148.5 23
+  139.0875 45008.9 47
+  153.0666 95773.9 101
+  165.1026 74949.9 79
+  182.1294 42245.1 44
+  200.1399 155972 165
+  265.1667 457472.8 485
+  283.1773 335683.1 356
+//
diff --git a/Eawag/MSBNK-EAWAG-ED183556.txt b/Eawag/MSBNK-EAWAG-ED183556.txt
new file mode 100644
index 0000000000..a194fb2cfb
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED183556.txt
@@ -0,0 +1,74 @@
+ACCESSION: MSBNK-EAWAG-ED183556
+RECORD_TITLE: MC-FL; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], A. Miglione [dtc], L. Tartaglione [dtc], C. Dell'Aversano [dtc], M. Simonazzi [dtc], L. Pezzolesi [dtc], F. Guerrini [dtc], R. Pistocchi [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.toxicon.2013.03.016
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1835
+CH$NAME: MC-FL
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-8-benzyl-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-15-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H71N7O12
+CH$EXACT_MASS: 985.5160707
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C52H71N7O12/c1-29(2)25-40-49(65)54-38(22-21-30(3)26-31(4)42(71-10)28-37-19-15-12-16-20-37)32(5)45(61)55-39(51(67)68)23-24-43(60)59(9)35(8)48(64)53-34(7)47(63)57-41(27-36-17-13-11-14-18-36)50(66)58-44(52(69)70)33(6)46(62)56-40/h11-22,26,29,31-34,38-42,44H,8,23-25,27-28H2,1-7,9-10H3,(H,53,64)(H,54,65)(H,55,61)(H,56,62)(H,57,63)(H,58,66)(H,67,68)(H,69,70)/b22-21+,30-26+/t31-,32-,33-,34+,38-,39+,40-,41-,42-,44+/m0/s1
+CH$LINK: PUBCHEM CID:146683818
+CH$LINK: INCHIKEY JNMCFADRRBGAIM-QVWKUIOOSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 102-1025
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 12.031 min
+MS$FOCUSED_ION: BASE_PEAK 984.51
+MS$FOCUSED_ION: PRECURSOR_M/Z 984.5088
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00or-0920000000-8209b7e85172775f5001
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  110.0247 C5H4NO2- 1 110.0248 -0.26
+  112.0404 C5H6NO2- 1 112.0404 -0.36
+  123.0564 C6H7N2O- 1 123.0564 -0.26
+  124.0404 C6H6NO2- 1 124.0404 -0.33
+  127.0513 C5H7N2O2- 1 127.0513 -0.13
+  128.0352 C5H6NO3- 1 128.0353 -1.22
+  129.1033 C6H13N2O- 1 129.1033 -0.55
+  131.0867 C10H11- 1 131.0866 0.51
+  139.0875 C7H11N2O- 1 139.0877 -1.22
+  153.0663 C7H9N2O2- 2 153.067 -4.45
+  165.1026 C7H11N5- 2 165.102 3.94
+  170.093 C7H12N3O2- 2 170.0935 -3.18
+  180.1139 C9H14N3O- 1 180.1142 -1.68
+  183.1131 C9H15N2O2- 2 183.1139 -4.41
+  200.1397 C9H18N3O2- 2 200.1405 -3.73
+  265.1663 C13H21N4O2- 3 265.167 -2.7
+PK$NUM_PEAK: 16
+PK$PEAK: m/z int. rel.int.
+  110.0247 303827.2 525
+  112.0404 43745.8 75
+  123.0564 29088.6 50
+  124.0404 65672.5 113
+  127.0513 50128.7 86
+  128.0352 577215.7 999
+  129.1033 124806.6 216
+  131.0867 26757.1 46
+  139.0875 77052.2 133
+  153.0663 98656.3 170
+  165.1026 141705 245
+  170.093 32241.6 55
+  180.1139 81589.3 141
+  183.1131 25818.9 44
+  200.1397 139085.2 240
+  265.1663 288791.4 499
+//
diff --git a/Eawag/MSBNK-EAWAG-ED183557.txt b/Eawag/MSBNK-EAWAG-ED183557.txt
new file mode 100644
index 0000000000..6d064ec583
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED183557.txt
@@ -0,0 +1,70 @@
+ACCESSION: MSBNK-EAWAG-ED183557
+RECORD_TITLE: MC-FL; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], A. Miglione [dtc], L. Tartaglione [dtc], C. Dell'Aversano [dtc], M. Simonazzi [dtc], L. Pezzolesi [dtc], F. Guerrini [dtc], R. Pistocchi [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.toxicon.2013.03.016
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1835
+CH$NAME: MC-FL
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-8-benzyl-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-15-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H71N7O12
+CH$EXACT_MASS: 985.5160707
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C52H71N7O12/c1-29(2)25-40-49(65)54-38(22-21-30(3)26-31(4)42(71-10)28-37-19-15-12-16-20-37)32(5)45(61)55-39(51(67)68)23-24-43(60)59(9)35(8)48(64)53-34(7)47(63)57-41(27-36-17-13-11-14-18-36)50(66)58-44(52(69)70)33(6)46(62)56-40/h11-22,26,29,31-34,38-42,44H,8,23-25,27-28H2,1-7,9-10H3,(H,53,64)(H,54,65)(H,55,61)(H,56,62)(H,57,63)(H,58,66)(H,67,68)(H,69,70)/b22-21+,30-26+/t31-,32-,33-,34+,38-,39+,40-,41-,42-,44+/m0/s1
+CH$LINK: PUBCHEM CID:146683818
+CH$LINK: INCHIKEY JNMCFADRRBGAIM-QVWKUIOOSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 102-1025
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 12.031 min
+MS$FOCUSED_ION: BASE_PEAK 984.51
+MS$FOCUSED_ION: PRECURSOR_M/Z 984.5088
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0059-0910000000-9acbb5d33d2799b5111b
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  110.0248 C5H4NO2- 1 110.0248 0.01
+  112.0402 C5H6NO2- 1 112.0404 -1.86
+  123.0565 C6H7N2O- 1 123.0564 0.6
+  127.0513 C5H7N2O2- 1 127.0513 -0.19
+  128.0353 C5H6NO3- 1 128.0353 -0.51
+  129.1033 C6H13N2O- 1 129.1033 -0.67
+  139.0873 C7H11N2O- 1 139.0877 -2.43
+  153.0664 C7H9N2O2- 1 153.067 -3.55
+  167.082 C8H11N2O2- 2 167.0826 -3.7
+  180.1137 C9H14N3O- 2 180.1142 -3.12
+  182.1293 C9H16N3O- 2 182.1299 -3.05
+  183.1138 C9H15N2O2- 1 183.1139 -0.82
+  200.1396 C9H18N3O2- 2 200.1405 -4.34
+  265.1666 C13H21N4O2- 3 265.167 -1.44
+PK$NUM_PEAK: 14
+PK$PEAK: m/z int. rel.int.
+  110.0248 226976.2 750
+  112.0402 44761.2 148
+  123.0565 23541.5 77
+  127.0513 53862.8 178
+  128.0353 301947.4 999
+  129.1033 128329.5 424
+  139.0873 61537.5 203
+  153.0664 47048.2 155
+  167.082 14175.6 46
+  180.1137 65429.3 216
+  182.1293 176975.2 585
+  183.1138 22022.4 72
+  200.1396 72036.3 238
+  265.1666 81980.3 271
+//
diff --git a/Eawag/MSBNK-EAWAG-ED184401.txt b/Eawag/MSBNK-EAWAG-ED184401.txt
new file mode 100644
index 0000000000..9156e1255a
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED184401.txt
@@ -0,0 +1,47 @@
+ACCESSION: MSBNK-EAWAG-ED184401
+RECORD_TITLE: MC-YR; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], K. Thomas [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1844
+CH$NAME: MC-YR
+CH$NAME: Microcystin YR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-8-[(4-hydroxyphenyl)methyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H72N10O13
+CH$EXACT_MASS: 1044.528032
+CH$SMILES: O=C(N(C)C(C(N[C@@H](C1=O)C)=O)=C)CC[C@H](C(O)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CCCNC(N)=N)NC([C@@H](C)[C@H](C(O)=O)NC([C@@H](N1)CC3=CC=C(O)C=C3)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C52H72N10O13/c1-28(25-29(2)41(75-8)27-34-13-10-9-11-14-34)16-21-37-30(3)44(65)59-39(50(71)72)22-23-42(64)62(7)33(6)47(68)56-32(5)46(67)60-40(26-35-17-19-36(63)20-18-35)49(70)61-43(51(73)74)31(4)45(66)58-38(48(69)57-37)15-12-24-55-52(53)54/h9-11,13-14,16-21,25,29-32,37-41,43,63H,6,12,15,22-24,26-27H2,1-5,7-8H3,(H,56,68)(H,57,69)(H,58,66)(H,59,65)(H,60,67)(H,61,70)(H,71,72)(H,73,74)(H4,53,54,55)/b21-16+,28-25+/t29-,30-,31-,32+,37-,38-,39+,40-,41-,43+/m0/s1
+CH$LINK: CAS 101064-48-6
+CH$LINK: KEGG C19997
+CH$LINK: PUBCHEM CID:6437088
+CH$LINK: INCHIKEY OWHASZQTEFAUJC-GJRPNUFSSA-N
+CH$LINK: CHEMSPIDER 21258165
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 108-1087
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 14.527 min
+MS$FOCUSED_ION: BASE_PEAK 523.271
+MS$FOCUSED_ION: PRECURSOR_M/Z 1045.5353
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0002-9000000000-c90c37f6ea261836daf5
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  1045.5337 C52H73N10O13+ 1 1045.5353 -1.52
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  1045.5337 6134611.5 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED184402.txt b/Eawag/MSBNK-EAWAG-ED184402.txt
new file mode 100644
index 0000000000..017d3c9fa0
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED184402.txt
@@ -0,0 +1,47 @@
+ACCESSION: MSBNK-EAWAG-ED184402
+RECORD_TITLE: MC-YR; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], K. Thomas [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1844
+CH$NAME: MC-YR
+CH$NAME: Microcystin YR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-8-[(4-hydroxyphenyl)methyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H72N10O13
+CH$EXACT_MASS: 1044.528032
+CH$SMILES: O=C(N(C)C(C(N[C@@H](C1=O)C)=O)=C)CC[C@H](C(O)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CCCNC(N)=N)NC([C@@H](C)[C@H](C(O)=O)NC([C@@H](N1)CC3=CC=C(O)C=C3)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C52H72N10O13/c1-28(25-29(2)41(75-8)27-34-13-10-9-11-14-34)16-21-37-30(3)44(65)59-39(50(71)72)22-23-42(64)62(7)33(6)47(68)56-32(5)46(67)60-40(26-35-17-19-36(63)20-18-35)49(70)61-43(51(73)74)31(4)45(66)58-38(48(69)57-37)15-12-24-55-52(53)54/h9-11,13-14,16-21,25,29-32,37-41,43,63H,6,12,15,22-24,26-27H2,1-5,7-8H3,(H,56,68)(H,57,69)(H,58,66)(H,59,65)(H,60,67)(H,61,70)(H,71,72)(H,73,74)(H4,53,54,55)/b21-16+,28-25+/t29-,30-,31-,32+,37-,38-,39+,40-,41-,43+/m0/s1
+CH$LINK: CAS 101064-48-6
+CH$LINK: KEGG C19997
+CH$LINK: PUBCHEM CID:6437088
+CH$LINK: INCHIKEY OWHASZQTEFAUJC-GJRPNUFSSA-N
+CH$LINK: CHEMSPIDER 21258165
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 108-1087
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 14.527 min
+MS$FOCUSED_ION: BASE_PEAK 523.271
+MS$FOCUSED_ION: PRECURSOR_M/Z 1045.5353
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0002-9000000000-1270223ded01d1080c4f
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  1045.5348 C52H73N10O13+ 1 1045.5353 -0.47
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  1045.5348 5478820 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED184403.txt b/Eawag/MSBNK-EAWAG-ED184403.txt
new file mode 100644
index 0000000000..264176e4dd
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED184403.txt
@@ -0,0 +1,47 @@
+ACCESSION: MSBNK-EAWAG-ED184403
+RECORD_TITLE: MC-YR; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], K. Thomas [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1844
+CH$NAME: MC-YR
+CH$NAME: Microcystin YR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-8-[(4-hydroxyphenyl)methyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H72N10O13
+CH$EXACT_MASS: 1044.528032
+CH$SMILES: O=C(N(C)C(C(N[C@@H](C1=O)C)=O)=C)CC[C@H](C(O)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CCCNC(N)=N)NC([C@@H](C)[C@H](C(O)=O)NC([C@@H](N1)CC3=CC=C(O)C=C3)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C52H72N10O13/c1-28(25-29(2)41(75-8)27-34-13-10-9-11-14-34)16-21-37-30(3)44(65)59-39(50(71)72)22-23-42(64)62(7)33(6)47(68)56-32(5)46(67)60-40(26-35-17-19-36(63)20-18-35)49(70)61-43(51(73)74)31(4)45(66)58-38(48(69)57-37)15-12-24-55-52(53)54/h9-11,13-14,16-21,25,29-32,37-41,43,63H,6,12,15,22-24,26-27H2,1-5,7-8H3,(H,56,68)(H,57,69)(H,58,66)(H,59,65)(H,60,67)(H,61,70)(H,71,72)(H,73,74)(H4,53,54,55)/b21-16+,28-25+/t29-,30-,31-,32+,37-,38-,39+,40-,41-,43+/m0/s1
+CH$LINK: CAS 101064-48-6
+CH$LINK: KEGG C19997
+CH$LINK: PUBCHEM CID:6437088
+CH$LINK: INCHIKEY OWHASZQTEFAUJC-GJRPNUFSSA-N
+CH$LINK: CHEMSPIDER 21258165
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 108-1087
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 14.527 min
+MS$FOCUSED_ION: BASE_PEAK 523.271
+MS$FOCUSED_ION: PRECURSOR_M/Z 1045.5353
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0002-9000000000-2318a57b094153a69cec
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  1045.5347 C52H73N10O13+ 1 1045.5353 -0.58
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  1045.5347 4729835.5 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED184404.txt b/Eawag/MSBNK-EAWAG-ED184404.txt
new file mode 100644
index 0000000000..97ba4a6093
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED184404.txt
@@ -0,0 +1,59 @@
+ACCESSION: MSBNK-EAWAG-ED184404
+RECORD_TITLE: MC-YR; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], K. Thomas [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1844
+CH$NAME: MC-YR
+CH$NAME: Microcystin YR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-8-[(4-hydroxyphenyl)methyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H72N10O13
+CH$EXACT_MASS: 1044.528032
+CH$SMILES: O=C(N(C)C(C(N[C@@H](C1=O)C)=O)=C)CC[C@H](C(O)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CCCNC(N)=N)NC([C@@H](C)[C@H](C(O)=O)NC([C@@H](N1)CC3=CC=C(O)C=C3)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C52H72N10O13/c1-28(25-29(2)41(75-8)27-34-13-10-9-11-14-34)16-21-37-30(3)44(65)59-39(50(71)72)22-23-42(64)62(7)33(6)47(68)56-32(5)46(67)60-40(26-35-17-19-36(63)20-18-35)49(70)61-43(51(73)74)31(4)45(66)58-38(48(69)57-37)15-12-24-55-52(53)54/h9-11,13-14,16-21,25,29-32,37-41,43,63H,6,12,15,22-24,26-27H2,1-5,7-8H3,(H,56,68)(H,57,69)(H,58,66)(H,59,65)(H,60,67)(H,61,70)(H,71,72)(H,73,74)(H4,53,54,55)/b21-16+,28-25+/t29-,30-,31-,32+,37-,38-,39+,40-,41-,43+/m0/s1
+CH$LINK: CAS 101064-48-6
+CH$LINK: KEGG C19997
+CH$LINK: PUBCHEM CID:6437088
+CH$LINK: INCHIKEY OWHASZQTEFAUJC-GJRPNUFSSA-N
+CH$LINK: CHEMSPIDER 21258165
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 108-1087
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 14.527 min
+MS$FOCUSED_ION: BASE_PEAK 523.271
+MS$FOCUSED_ION: PRECURSOR_M/Z 1045.5353
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0002-9000000000-6b7894585f6eb79e4693
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  135.0805 C9H11O+ 1 135.0804 0.64
+  135.1171 C10H15+ 1 135.1168 1.71
+  136.0756 C8H10NO+ 1 136.0757 -0.65
+  174.1342 C6H16N5O+ 3 174.1349 -4.3
+  286.1503 C11H20N5O4+ 3 286.151 -2.43
+  375.1905 C4H27N10O10+ 7 375.1906 -0.35
+  1045.5352 C52H73N10O13+ 1 1045.5353 -0.12
+PK$NUM_PEAK: 7
+PK$PEAK: m/z int. rel.int.
+  135.0805 80183.7 37
+  135.1171 21445.1 10
+  136.0756 33428.6 15
+  174.1342 46838.6 22
+  286.1503 32387.6 15
+  375.1905 85823.6 40
+  1045.5352 2109415 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED184405.txt b/Eawag/MSBNK-EAWAG-ED184405.txt
new file mode 100644
index 0000000000..0e6af3b355
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED184405.txt
@@ -0,0 +1,67 @@
+ACCESSION: MSBNK-EAWAG-ED184405
+RECORD_TITLE: MC-YR; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], K. Thomas [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1844
+CH$NAME: MC-YR
+CH$NAME: Microcystin YR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-8-[(4-hydroxyphenyl)methyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H72N10O13
+CH$EXACT_MASS: 1044.528032
+CH$SMILES: O=C(N(C)C(C(N[C@@H](C1=O)C)=O)=C)CC[C@H](C(O)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CCCNC(N)=N)NC([C@@H](C)[C@H](C(O)=O)NC([C@@H](N1)CC3=CC=C(O)C=C3)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C52H72N10O13/c1-28(25-29(2)41(75-8)27-34-13-10-9-11-14-34)16-21-37-30(3)44(65)59-39(50(71)72)22-23-42(64)62(7)33(6)47(68)56-32(5)46(67)60-40(26-35-17-19-36(63)20-18-35)49(70)61-43(51(73)74)31(4)45(66)58-38(48(69)57-37)15-12-24-55-52(53)54/h9-11,13-14,16-21,25,29-32,37-41,43,63H,6,12,15,22-24,26-27H2,1-5,7-8H3,(H,56,68)(H,57,69)(H,58,66)(H,59,65)(H,60,67)(H,61,70)(H,71,72)(H,73,74)(H4,53,54,55)/b21-16+,28-25+/t29-,30-,31-,32+,37-,38-,39+,40-,41-,43+/m0/s1
+CH$LINK: CAS 101064-48-6
+CH$LINK: KEGG C19997
+CH$LINK: PUBCHEM CID:6437088
+CH$LINK: INCHIKEY OWHASZQTEFAUJC-GJRPNUFSSA-N
+CH$LINK: CHEMSPIDER 21258165
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 108-1087
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 14.527 min
+MS$FOCUSED_ION: BASE_PEAK 523.271
+MS$FOCUSED_ION: PRECURSOR_M/Z 1045.5353
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-000i-0920000000-26ef61dda41178e8a501
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  112.0871 C5H10N3+ 1 112.0869 1.33
+  127.0864 C6H11N2O+ 1 127.0866 -1.52
+  135.0804 C9H11O+ 1 135.0804 -0.37
+  135.1168 C10H15+ 1 135.1168 -0.33
+  136.0755 C8H10NO+ 1 136.0757 -1.21
+  155.0813 C7H11N2O2+ 1 155.0815 -1.39
+  163.1116 C11H15O+ 1 163.1117 -0.87
+  174.1344 C6H16N5O+ 3 174.1349 -2.9
+  200.1132 C6H18NO6+ 2 200.1129 1.6
+  213.0859 C7H11N5O3+ 1 213.0856 0.99
+  285.1664 C11H21N6O3+ 3 285.167 -2.05
+PK$NUM_PEAK: 11
+PK$PEAK: m/z int. rel.int.
+  112.0871 59564.3 178
+  127.0864 120170 359
+  135.0804 333889.7 999
+  135.1168 129648.7 387
+  136.0755 183662.6 549
+  155.0813 113559.2 339
+  163.1116 84609.2 253
+  174.1344 65130.3 194
+  200.1132 89299.4 267
+  213.0859 146604.7 438
+  285.1664 27425.9 82
+//
diff --git a/Eawag/MSBNK-EAWAG-ED184406.txt b/Eawag/MSBNK-EAWAG-ED184406.txt
new file mode 100644
index 0000000000..1c670f953d
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED184406.txt
@@ -0,0 +1,77 @@
+ACCESSION: MSBNK-EAWAG-ED184406
+RECORD_TITLE: MC-YR; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], K. Thomas [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1844
+CH$NAME: MC-YR
+CH$NAME: Microcystin YR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-8-[(4-hydroxyphenyl)methyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H72N10O13
+CH$EXACT_MASS: 1044.528032
+CH$SMILES: O=C(N(C)C(C(N[C@@H](C1=O)C)=O)=C)CC[C@H](C(O)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CCCNC(N)=N)NC([C@@H](C)[C@H](C(O)=O)NC([C@@H](N1)CC3=CC=C(O)C=C3)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C52H72N10O13/c1-28(25-29(2)41(75-8)27-34-13-10-9-11-14-34)16-21-37-30(3)44(65)59-39(50(71)72)22-23-42(64)62(7)33(6)47(68)56-32(5)46(67)60-40(26-35-17-19-36(63)20-18-35)49(70)61-43(51(73)74)31(4)45(66)58-38(48(69)57-37)15-12-24-55-52(53)54/h9-11,13-14,16-21,25,29-32,37-41,43,63H,6,12,15,22-24,26-27H2,1-5,7-8H3,(H,56,68)(H,57,69)(H,58,66)(H,59,65)(H,60,67)(H,61,70)(H,71,72)(H,73,74)(H4,53,54,55)/b21-16+,28-25+/t29-,30-,31-,32+,37-,38-,39+,40-,41-,43+/m0/s1
+CH$LINK: CAS 101064-48-6
+CH$LINK: KEGG C19997
+CH$LINK: PUBCHEM CID:6437088
+CH$LINK: INCHIKEY OWHASZQTEFAUJC-GJRPNUFSSA-N
+CH$LINK: CHEMSPIDER 21258165
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 108-1087
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 14.527 min
+MS$FOCUSED_ION: BASE_PEAK 523.271
+MS$FOCUSED_ION: PRECURSOR_M/Z 1045.5353
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-000i-0910000000-13cecf6b5d9bd2b5bad7
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  112.0871 C5H10N3+ 1 112.0869 1.4
+  115.0864 C5H11N2O+ 1 115.0866 -1.98
+  117.0699 C9H9+ 1 117.0699 0.33
+  127.0865 C6H11N2O+ 1 127.0866 -0.8
+  135.0804 C9H11O+ 1 135.0804 -0.26
+  135.1166 C10H15+ 1 135.1168 -2.02
+  136.0756 C8H10NO+ 1 136.0757 -0.88
+  140.0821 C6H10N3O+ 1 140.0818 1.63
+  141.066 C6H9N2O2+ 1 141.0659 1.29
+  155.0813 C7H11N2O2+ 1 155.0815 -1
+  157.1082 C6H13N4O+ 1 157.1084 -0.97
+  163.1114 C11H15O+ 1 163.1117 -1.9
+  167.081 C8H11N2O2+ 1 167.0815 -2.92
+  200.1134 C6H18NO6+ 3 200.1129 2.74
+  213.0861 C7H11N5O3+ 2 213.0856 2.14
+  239.0656 C9H5N9+ 3 239.0662 -2.49
+PK$NUM_PEAK: 16
+PK$PEAK: m/z int. rel.int.
+  112.0871 82714.5 252
+  115.0864 48341.7 147
+  117.0699 48844 149
+  127.0865 209120.7 638
+  135.0804 327334.6 999
+  135.1166 116286.4 354
+  136.0756 215363.1 657
+  140.0821 35065.5 107
+  141.066 35083.2 107
+  155.0813 92000.3 280
+  157.1082 38651 117
+  163.1114 46048.2 140
+  167.081 46143.4 140
+  200.1134 69067.2 210
+  213.0861 110823.5 338
+  239.0656 30410.5 92
+//
diff --git a/Eawag/MSBNK-EAWAG-ED186101.txt b/Eawag/MSBNK-EAWAG-ED186101.txt
new file mode 100644
index 0000000000..b9cae3836f
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED186101.txt
@@ -0,0 +1,48 @@
+ACCESSION: MSBNK-EAWAG-ED186101
+RECORD_TITLE: [Dha7]MC-LR; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1861
+CH$NAME: [Dha7]MC-LR
+CH$NAME: 7-Desmethylmicrocystin-LR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-5,12,19-trimethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C48H72N10O12
+CH$EXACT_MASS: 980.5331177
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCC\N=C(/N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)NC(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C48H72N10O12/c1-25(2)22-36-45(65)58-39(47(68)69)29(6)41(61)55-34(16-13-21-51-48(49)50)44(64)54-33(18-17-26(3)23-27(4)37(70-9)24-32-14-11-10-12-15-32)28(5)40(60)56-35(46(66)67)19-20-38(59)52-30(7)42(62)53-31(8)43(63)57-36/h10-12,14-15,17-18,23,25,27-29,31,33-37,39H,7,13,16,19-22,24H2,1-6,8-9H3,(H,52,59)(H,53,62)(H,54,64)(H,55,61)(H,56,60)(H,57,63)(H,58,65)(H,66,67)(H,68,69)(H4,49,50,51)/b18-17+,26-23+/t27-,28-,29-,31+,33-,34-,35+,36-,37-,39+/m0/s1
+CH$LINK: CHEBI 210293
+CH$LINK: PUBCHEM CID:101642889
+CH$LINK: INCHIKEY WLWITBHAANNFHV-NDUWXMRTSA-N
+CH$LINK: CHEMSPIDER 78429176
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 102-1022
+AC$CHROMATOGRAPHY: COLUMN_NAME Acwuity UPLC HSS T3 1.8um, 3x100mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 85/15 at 0 min, 0/100 at 21 min, 0/100 at 25 min, 2/98 at 25.1 min, 2/98 at 31 min, 85/15 at 31.1 min, 85/15 at 33 min
+AC$CHROMATOGRAPHY: FLOW_RATE 300 uL/min at 0 min, 650 uL/min at 25.1 min, 300 uL/min at 31.1 min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.820 min
+MS$FOCUSED_ION: BASE_PEAK 491.2715
+MS$FOCUSED_ION: PRECURSOR_M/Z 981.5404
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-001i-0000000009-d276addfb16c711ad948
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  109.0611 C2H9N2O3+ 1 109.0608 3.07
+  981.539 C48H73N10O12+ 1 981.5404 -1.42
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  109.0611 8764496 48
+  981.539 179829504 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED186102.txt b/Eawag/MSBNK-EAWAG-ED186102.txt
new file mode 100644
index 0000000000..c3dce719d3
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED186102.txt
@@ -0,0 +1,48 @@
+ACCESSION: MSBNK-EAWAG-ED186102
+RECORD_TITLE: [Dha7]MC-LR; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1861
+CH$NAME: [Dha7]MC-LR
+CH$NAME: 7-Desmethylmicrocystin-LR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-5,12,19-trimethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C48H72N10O12
+CH$EXACT_MASS: 980.5331177
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCC\N=C(/N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)NC(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C48H72N10O12/c1-25(2)22-36-45(65)58-39(47(68)69)29(6)41(61)55-34(16-13-21-51-48(49)50)44(64)54-33(18-17-26(3)23-27(4)37(70-9)24-32-14-11-10-12-15-32)28(5)40(60)56-35(46(66)67)19-20-38(59)52-30(7)42(62)53-31(8)43(63)57-36/h10-12,14-15,17-18,23,25,27-29,31,33-37,39H,7,13,16,19-22,24H2,1-6,8-9H3,(H,52,59)(H,53,62)(H,54,64)(H,55,61)(H,56,60)(H,57,63)(H,58,65)(H,66,67)(H,68,69)(H4,49,50,51)/b18-17+,26-23+/t27-,28-,29-,31+,33-,34-,35+,36-,37-,39+/m0/s1
+CH$LINK: CHEBI 210293
+CH$LINK: PUBCHEM CID:101642889
+CH$LINK: INCHIKEY WLWITBHAANNFHV-NDUWXMRTSA-N
+CH$LINK: CHEMSPIDER 78429176
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 102-1022
+AC$CHROMATOGRAPHY: COLUMN_NAME Acwuity UPLC HSS T3 1.8um, 3x100mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 85/15 at 0 min, 0/100 at 21 min, 0/100 at 25 min, 2/98 at 25.1 min, 2/98 at 31 min, 85/15 at 31.1 min, 85/15 at 33 min
+AC$CHROMATOGRAPHY: FLOW_RATE 300 uL/min at 0 min, 650 uL/min at 25.1 min, 300 uL/min at 31.1 min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.820 min
+MS$FOCUSED_ION: BASE_PEAK 491.2715
+MS$FOCUSED_ION: PRECURSOR_M/Z 981.5404
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-001i-0000000009-c5364f80c9d73a95791d
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  109.0611 C2H9N2O3+ 1 109.0608 3.14
+  981.5389 C48H73N10O12+ 1 981.5404 -1.48
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  109.0611 8804423 48
+  981.5389 181467808 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED186103.txt b/Eawag/MSBNK-EAWAG-ED186103.txt
new file mode 100644
index 0000000000..07685582b4
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED186103.txt
@@ -0,0 +1,52 @@
+ACCESSION: MSBNK-EAWAG-ED186103
+RECORD_TITLE: [Dha7]MC-LR; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1861
+CH$NAME: [Dha7]MC-LR
+CH$NAME: 7-Desmethylmicrocystin-LR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-5,12,19-trimethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C48H72N10O12
+CH$EXACT_MASS: 980.5331177
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCC\N=C(/N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)NC(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C48H72N10O12/c1-25(2)22-36-45(65)58-39(47(68)69)29(6)41(61)55-34(16-13-21-51-48(49)50)44(64)54-33(18-17-26(3)23-27(4)37(70-9)24-32-14-11-10-12-15-32)28(5)40(60)56-35(46(66)67)19-20-38(59)52-30(7)42(62)53-31(8)43(63)57-36/h10-12,14-15,17-18,23,25,27-29,31,33-37,39H,7,13,16,19-22,24H2,1-6,8-9H3,(H,52,59)(H,53,62)(H,54,64)(H,55,61)(H,56,60)(H,57,63)(H,58,65)(H,66,67)(H,68,69)(H4,49,50,51)/b18-17+,26-23+/t27-,28-,29-,31+,33-,34-,35+,36-,37-,39+/m0/s1
+CH$LINK: CHEBI 210293
+CH$LINK: PUBCHEM CID:101642889
+CH$LINK: INCHIKEY WLWITBHAANNFHV-NDUWXMRTSA-N
+CH$LINK: CHEMSPIDER 78429176
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 102-1022
+AC$CHROMATOGRAPHY: COLUMN_NAME Acwuity UPLC HSS T3 1.8um, 3x100mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 85/15 at 0 min, 0/100 at 21 min, 0/100 at 25 min, 2/98 at 25.1 min, 2/98 at 31 min, 85/15 at 31.1 min, 85/15 at 33 min
+AC$CHROMATOGRAPHY: FLOW_RATE 300 uL/min at 0 min, 650 uL/min at 25.1 min, 300 uL/min at 31.1 min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.820 min
+MS$FOCUSED_ION: BASE_PEAK 491.2715
+MS$FOCUSED_ION: PRECURSOR_M/Z 981.5404
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-001i-0000000009-8f0defa017cf7e156b1a
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  109.0612 C2H9N2O3+ 1 109.0608 3.91
+  953.5447 C47H73N10O11+ 1 953.5455 -0.87
+  963.5281 C48H71N10O11+ 1 963.5298 -1.84
+  981.5394 C48H73N10O12+ 1 981.5404 -0.98
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  109.0612 8288834 48
+  953.5447 1767086.4 10
+  963.5281 1775674.9 10
+  981.5394 171680896 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED186104.txt b/Eawag/MSBNK-EAWAG-ED186104.txt
new file mode 100644
index 0000000000..74bf1e9141
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED186104.txt
@@ -0,0 +1,80 @@
+ACCESSION: MSBNK-EAWAG-ED186104
+RECORD_TITLE: [Dha7]MC-LR; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1861
+CH$NAME: [Dha7]MC-LR
+CH$NAME: 7-Desmethylmicrocystin-LR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-5,12,19-trimethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C48H72N10O12
+CH$EXACT_MASS: 980.5331177
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCC\N=C(/N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)NC(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C48H72N10O12/c1-25(2)22-36-45(65)58-39(47(68)69)29(6)41(61)55-34(16-13-21-51-48(49)50)44(64)54-33(18-17-26(3)23-27(4)37(70-9)24-32-14-11-10-12-15-32)28(5)40(60)56-35(46(66)67)19-20-38(59)52-30(7)42(62)53-31(8)43(63)57-36/h10-12,14-15,17-18,23,25,27-29,31,33-37,39H,7,13,16,19-22,24H2,1-6,8-9H3,(H,52,59)(H,53,62)(H,54,64)(H,55,61)(H,56,60)(H,57,63)(H,58,65)(H,66,67)(H,68,69)(H4,49,50,51)/b18-17+,26-23+/t27-,28-,29-,31+,33-,34-,35+,36-,37-,39+/m0/s1
+CH$LINK: CHEBI 210293
+CH$LINK: PUBCHEM CID:101642889
+CH$LINK: INCHIKEY WLWITBHAANNFHV-NDUWXMRTSA-N
+CH$LINK: CHEMSPIDER 78429176
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 102-1022
+AC$CHROMATOGRAPHY: COLUMN_NAME Acwuity UPLC HSS T3 1.8um, 3x100mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 85/15 at 0 min, 0/100 at 21 min, 0/100 at 25 min, 2/98 at 25.1 min, 2/98 at 31 min, 85/15 at 31.1 min, 85/15 at 33 min
+AC$CHROMATOGRAPHY: FLOW_RATE 300 uL/min at 0 min, 650 uL/min at 25.1 min, 300 uL/min at 31.1 min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.820 min
+MS$FOCUSED_ION: BASE_PEAK 491.2715
+MS$FOCUSED_ION: PRECURSOR_M/Z 981.5404
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-001i-0000000009-b3cf0b6b79ca01e38074
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  109.0613 C2H9N2O3+ 1 109.0608 4.68
+  135.0805 C9H11O+ 1 135.0804 0.2
+  163.1116 C11H15O+ 1 163.1117 -0.97
+  174.1347 C6H16N5O+ 1 174.1349 -1.38
+  237.1221 C10H15N5O2+ 1 237.122 0.33
+  269.1232 C10H21O8+ 3 269.1231 0.42
+  285.1662 C10H25N2O7+ 3 285.1656 1.84
+  286.1497 C10H24NO8+ 4 286.1496 0.2
+  432.2119 C20H28N6O5+ 6 432.2116 0.69
+  538.3086 C22H44N5O10+ 9 538.3083 0.55
+  556.3185 C36H44O5+ 9 556.3183 0.34
+  830.4396 C39H60N9O11+ 4 830.4407 -1.36
+  851.5152 C45H69N7O9+ 6 851.5151 0.03
+  896.4904 C47H64N10O8+ 3 896.4903 0.08
+  953.5456 C47H73N10O11+ 1 953.5455 0.09
+  963.529 C48H71N10O11+ 1 963.5298 -0.82
+  964.5118 C48H70N9O12+ 1 964.5138 -2.09
+  981.5405 C48H73N10O12+ 1 981.5404 0.14
+PK$NUM_PEAK: 18
+PK$PEAK: m/z int. rel.int.
+  109.0613 3994217.2 48
+  135.0805 1767619.4 21
+  163.1116 1074429.9 13
+  174.1347 1416921.5 17
+  237.1221 973665.2 11
+  269.1232 1035057.2 12
+  285.1662 1216644.6 14
+  286.1497 870030.9 10
+  432.2119 1558743.6 18
+  538.3086 1374307.4 16
+  556.3185 1463724.1 17
+  830.4396 1388927 16
+  851.5152 1125694.8 13
+  896.4904 1275297.6 15
+  953.5456 5213547 63
+  963.529 2670914 32
+  964.5118 1808174 21
+  981.5405 82290064 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED186105.txt b/Eawag/MSBNK-EAWAG-ED186105.txt
new file mode 100644
index 0000000000..463d3ed1a5
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED186105.txt
@@ -0,0 +1,160 @@
+ACCESSION: MSBNK-EAWAG-ED186105
+RECORD_TITLE: [Dha7]MC-LR; LC-ESI-QFT; MS2; CE: 35%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1861
+CH$NAME: [Dha7]MC-LR
+CH$NAME: 7-Desmethylmicrocystin-LR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-5,12,19-trimethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C48H72N10O12
+CH$EXACT_MASS: 980.5331177
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCC\N=C(/N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)NC(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C48H72N10O12/c1-25(2)22-36-45(65)58-39(47(68)69)29(6)41(61)55-34(16-13-21-51-48(49)50)44(64)54-33(18-17-26(3)23-27(4)37(70-9)24-32-14-11-10-12-15-32)28(5)40(60)56-35(46(66)67)19-20-38(59)52-30(7)42(62)53-31(8)43(63)57-36/h10-12,14-15,17-18,23,25,27-29,31,33-37,39H,7,13,16,19-22,24H2,1-6,8-9H3,(H,52,59)(H,53,62)(H,54,64)(H,55,61)(H,56,60)(H,57,63)(H,58,65)(H,66,67)(H,68,69)(H4,49,50,51)/b18-17+,26-23+/t27-,28-,29-,31+,33-,34-,35+,36-,37-,39+/m0/s1
+CH$LINK: CHEBI 210293
+CH$LINK: PUBCHEM CID:101642889
+CH$LINK: INCHIKEY WLWITBHAANNFHV-NDUWXMRTSA-N
+CH$LINK: CHEMSPIDER 78429176
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 35 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 102-1022
+AC$CHROMATOGRAPHY: COLUMN_NAME Acwuity UPLC HSS T3 1.8um, 3x100mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 85/15 at 0 min, 0/100 at 21 min, 0/100 at 25 min, 2/98 at 25.1 min, 2/98 at 31 min, 85/15 at 31.1 min, 85/15 at 33 min
+AC$CHROMATOGRAPHY: FLOW_RATE 300 uL/min at 0 min, 650 uL/min at 25.1 min, 300 uL/min at 31.1 min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.820 min
+MS$FOCUSED_ION: BASE_PEAK 491.2715
+MS$FOCUSED_ION: PRECURSOR_M/Z 981.5404
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-001r-0952020007-9f1e77685d7fb9bfc838
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  103.0543 C8H7+ 1 103.0542 0.75
+  105.0698 C8H9+ 1 105.0699 -0.67
+  107.0855 C8H11+ 1 107.0855 -0.64
+  109.0613 C2H9N2O3+ 1 109.0608 4.82
+  112.087 C5H10N3+ 1 112.0869 0.38
+  113.0708 C5H9N2O+ 1 113.0709 -1.13
+  115.0866 C5H11N2O+ 1 115.0866 0.23
+  117.0699 C9H9+ 1 117.0699 0.53
+  124.1116 C8H14N+ 1 124.1121 -3.49
+  130.0498 C5H8NO3+ 1 130.0499 -0.53
+  132.1019 C6H14NO2+ 1 132.1019 -0.04
+  135.0804 C9H11O+ 1 135.0804 -0.03
+  135.1167 C10H15+ 1 135.1168 -1.11
+  139.0976 C6H11N4+ 1 139.0978 -1.79
+  147.0764 C5H11N2O3+ 1 147.0764 -0.15
+  156.1243 C6H14N5+ 1 156.1244 -0.5
+  157.1084 C6H13N4O+ 1 157.1084 0.07
+  158.0923 C6H12N3O2+ 1 158.0924 -0.43
+  163.1116 C11H15O+ 1 163.1117 -1.16
+  174.1345 C6H16N5O+ 1 174.1349 -2.26
+  185.1278 C9H17N2O2+ 2 185.1285 -3.65
+  199.0706 C6H9N5O3+ 2 199.07 3.3
+  200.1134 C6H18NO6+ 3 200.1129 2.59
+  201.0979 C7H13N4O3+ 3 201.0982 -1.76
+  207.0755 C8H9N5O2+ 2 207.0751 2.12
+  209.1285 C11H17N2O2+ 1 209.1285 0.01
+  224.1015 C8H12N6O2+ 1 224.1016 -0.74
+  226.1173 C8H14N6O2+ 1 226.1173 -0.09
+  237.1221 C10H15N5O2+ 1 237.122 0.14
+  237.1622 C2H21N8O5+ 3 237.1629 -3.17
+  240.144 C8H16N8O+ 3 240.1442 -0.82
+  241.1284 C9H21O7+ 3 241.1282 1.07
+  244.1283 C8H16N6O3+ 2 244.1278 1.78
+  251.1126 C10H19O7+ 3 251.1125 0.37
+  252.0965 C9H12N6O3+ 1 252.0965 -0.02
+  254.1487 C10H18N6O2+ 2 254.1486 0.55
+  258.1535 C7H22N4O6+ 3 258.1534 0.48
+  267.1549 C9H17N9O+ 3 267.1551 -0.46
+  269.1234 C10H21O8+ 3 269.1231 1.1
+  285.1661 C10H25N2O7+ 3 285.1656 1.73
+  286.1498 C10H24NO8+ 3 286.1496 0.63
+  303.1766 C10H27N2O8+ 3 303.1762 1.22
+  333.1801 C2H25N10O9+ 4 333.18 0.27
+  361.1745 C17H23N5O4+ 7 361.1745 0.2
+  382.2062 C14H30N4O8+ 5 382.2058 0.99
+  399.2318 C28H31O2+ 7 399.2319 -0.05
+  432.2116 C20H28N6O5+ 6 432.2116 -0.02
+  495.3047 C38H39+ 8 495.3046 0.06
+  511.2976 C21H43N4O10+ 8 511.2974 0.41
+  539.292 C22H43N4O11+ 9 539.2923 -0.47
+  571.3603 C30H47N6O5+ 9 571.3602 0.11
+  599.3543 C45H45N+ 8 599.3547 -0.6
+  830.4386 C39H60N9O11+ 5 830.4407 -2.46
+  909.5566 C46H73N10O9+ 1 909.5557 1
+  937.549 C47H73N10O10+ 1 937.5506 -1.7
+  953.5452 C47H73N10O11+ 1 953.5455 -0.29
+  963.5312 C48H71N10O11+ 1 963.5298 1.46
+  981.541 C48H73N10O12+ 1 981.5404 0.63
+PK$NUM_PEAK: 58
+PK$PEAK: m/z int. rel.int.
+  103.0543 480391.4 28
+  105.0698 501283.8 29
+  107.0855 2333408.5 136
+  109.0613 827870.6 48
+  112.087 1732699.6 101
+  113.0708 565570.8 33
+  115.0866 750313.9 43
+  117.0699 244652.2 14
+  124.1116 409019.3 23
+  130.0498 206435.4 12
+  132.1019 243169.2 14
+  135.0804 6842444 401
+  135.1167 2438519 142
+  139.0976 250538.4 14
+  147.0764 180888.4 10
+  156.1243 1127784.8 66
+  157.1084 1871362.5 109
+  158.0923 384133.2 22
+  163.1116 2676871.5 156
+  174.1345 3022453.8 177
+  185.1278 270531.8 15
+  199.0706 406478.7 23
+  200.1134 1785312.2 104
+  201.0979 455070.9 26
+  207.0755 281504.4 16
+  209.1285 719353.4 42
+  224.1015 267273.8 15
+  226.1173 675477.9 39
+  237.1221 1845684.6 108
+  237.1622 394045.5 23
+  240.144 410250 24
+  241.1284 793699.7 46
+  244.1283 1076489.4 63
+  251.1126 241584.8 14
+  252.0965 247384.6 14
+  254.1487 662387.9 38
+  258.1535 251976 14
+  267.1549 209697.7 12
+  269.1234 2549023.8 149
+  285.1661 2012281.6 117
+  286.1498 1588427.5 93
+  303.1766 1006789.2 59
+  333.1801 772089.1 45
+  361.1745 3244051.5 190
+  382.2062 807075.2 47
+  399.2318 429468.7 25
+  432.2116 1679385.4 98
+  495.3047 240245.4 14
+  511.2976 777986.3 45
+  539.292 3014409.5 176
+  571.3603 1626912.9 95
+  599.3543 2812635 164
+  830.4386 705042.2 41
+  909.5566 1279996.4 75
+  937.549 448518.5 26
+  953.5452 3922836 229
+  963.5312 989770.7 58
+  981.541 17042300 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED186106.txt b/Eawag/MSBNK-EAWAG-ED186106.txt
new file mode 100644
index 0000000000..0864a9dbd5
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED186106.txt
@@ -0,0 +1,186 @@
+ACCESSION: MSBNK-EAWAG-ED186106
+RECORD_TITLE: [Dha7]MC-LR; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1861
+CH$NAME: [Dha7]MC-LR
+CH$NAME: 7-Desmethylmicrocystin-LR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-5,12,19-trimethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C48H72N10O12
+CH$EXACT_MASS: 980.5331177
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCC\N=C(/N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)NC(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C48H72N10O12/c1-25(2)22-36-45(65)58-39(47(68)69)29(6)41(61)55-34(16-13-21-51-48(49)50)44(64)54-33(18-17-26(3)23-27(4)37(70-9)24-32-14-11-10-12-15-32)28(5)40(60)56-35(46(66)67)19-20-38(59)52-30(7)42(62)53-31(8)43(63)57-36/h10-12,14-15,17-18,23,25,27-29,31,33-37,39H,7,13,16,19-22,24H2,1-6,8-9H3,(H,52,59)(H,53,62)(H,54,64)(H,55,61)(H,56,60)(H,57,63)(H,58,65)(H,66,67)(H,68,69)(H4,49,50,51)/b18-17+,26-23+/t27-,28-,29-,31+,33-,34-,35+,36-,37-,39+/m0/s1
+CH$LINK: CHEBI 210293
+CH$LINK: PUBCHEM CID:101642889
+CH$LINK: INCHIKEY WLWITBHAANNFHV-NDUWXMRTSA-N
+CH$LINK: CHEMSPIDER 78429176
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 102-1022
+AC$CHROMATOGRAPHY: COLUMN_NAME Acwuity UPLC HSS T3 1.8um, 3x100mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 85/15 at 0 min, 0/100 at 21 min, 0/100 at 25 min, 2/98 at 25.1 min, 2/98 at 31 min, 85/15 at 31.1 min, 85/15 at 33 min
+AC$CHROMATOGRAPHY: FLOW_RATE 300 uL/min at 0 min, 650 uL/min at 25.1 min, 300 uL/min at 31.1 min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.820 min
+MS$FOCUSED_ION: BASE_PEAK 491.2715
+MS$FOCUSED_ION: PRECURSOR_M/Z 981.5404
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-01p9-0940010000-78f4e76bdb67704d9753
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  103.0542 C8H7+ 1 103.0542 -0.43
+  105.0698 C8H9+ 1 105.0699 -0.38
+  107.0855 C8H11+ 1 107.0855 -0.36
+  112.0869 C5H10N3+ 1 112.0869 -0.1
+  113.0708 C5H9N2O+ 1 113.0709 -0.86
+  114.1027 C5H12N3+ 1 114.1026 1.5
+  115.0543 C9H7+ 1 115.0542 0.22
+  115.0866 C5H11N2O+ 1 115.0866 0.1
+  117.0697 C9H9+ 1 117.0699 -1.23
+  120.0809 C8H10N+ 1 120.0808 0.78
+  130.0498 C5H8NO3+ 1 130.0499 -0.77
+  130.0974 C5H12N3O+ 1 130.0975 -0.38
+  131.0855 C10H11+ 1 131.0855 -0.18
+  132.1019 C6H14NO2+ 1 132.1019 -0.38
+  135.0804 C9H11O+ 1 135.0804 -0.14
+  135.1167 C10H15+ 1 135.1168 -1.22
+  139.0976 C6H11N4+ 1 139.0978 -1.25
+  140.0818 C6H10N3O+ 1 140.0818 -0.2
+  141.0662 C6H9N2O2+ 1 141.0659 2.11
+  147.0766 C5H11N2O3+ 1 147.0764 1.4
+  156.1244 C6H14N5+ 1 156.1244 -0.02
+  157.1084 C6H13N4O+ 1 157.1084 0.17
+  158.0923 C6H12N3O2+ 1 158.0924 -0.43
+  163.1116 C11H15O+ 1 163.1117 -0.97
+  174.1346 C6H16N5O+ 1 174.1349 -1.99
+  175.119 C6H15N4O2+ 1 175.119 0.15
+  179.0814 C9H11N2O2+ 1 179.0815 -0.56
+  181.0604 C8H9N2O3+ 1 181.0608 -1.76
+  181.1337 C10H17N2O+ 1 181.1335 0.75
+  183.0879 C7H11N4O2+ 1 183.0877 1.25
+  185.1284 C9H17N2O2+ 1 185.1285 -0.52
+  198.1231 C7H14N6O+ 2 198.1224 3.79
+  199.0708 C6H9N5O3+ 2 199.07 4.3
+  200.1135 C6H18NO6+ 3 200.1129 2.97
+  201.0975 C7H13N4O3+ 3 201.0982 -3.74
+  204.1376 C11H16N4+ 2 204.1369 3.17
+  207.0758 C8H9N5O2+ 2 207.0751 3.3
+  208.107 C8H12N6O+ 1 208.1067 1.16
+  209.1283 C11H17N2O2+ 1 209.1285 -0.94
+  213.1336 C8H21O6+ 3 213.1333 1.67
+  217.1326 C11H15N5+ 2 217.1322 1.71
+  223.1178 C9H19O6+ 3 223.1176 1
+  224.1024 C8H12N6O2+ 2 224.1016 3.34
+  225.1333 C9H21O6+ 2 225.1333 0.14
+  226.1178 C8H14N6O2+ 2 226.1173 2.27
+  226.1568 C13H22O3+ 1 226.1563 1.96
+  237.1224 C10H15N5O2+ 2 237.122 1.43
+  237.1624 C2H21N8O5+ 3 237.1629 -2.4
+  241.1284 C9H21O7+ 3 241.1282 1.07
+  244.1281 C8H16N6O3+ 2 244.1278 1.15
+  251.113 C10H19O7+ 3 251.1125 1.77
+  252.0965 C9H12N6O3+ 1 252.0965 -0.26
+  254.1482 C10H18N6O2+ 3 254.1486 -1.55
+  263.1864 C14H23N4O+ 5 263.1866 -1.03
+  267.1549 C9H17N9O+ 3 267.1551 -0.58
+  269.1235 C10H21O8+ 3 269.1231 1.44
+  270.1074 C9H14N6O4+ 3 270.1071 1.11
+  285.1662 C10H25N2O7+ 3 285.1656 2.05
+  286.1501 C10H24NO8+ 3 286.1496 1.48
+  333.1801 C2H25N10O9+ 4 333.18 0.18
+  361.1744 C17H23N5O4+ 6 361.1745 -0.14
+  382.2059 C14H30N4O8+ 5 382.2058 0.27
+  511.2973 C21H43N4O10+ 7 511.2974 -0.18
+  538.3086 C22H44N5O10+ 9 538.3083 0.55
+  539.2922 C22H43N4O11+ 9 539.2923 -0.13
+  556.3186 C36H44O5+ 9 556.3183 0.45
+  571.3598 C30H47N6O5+ 8 571.3602 -0.85
+  599.3545 C45H45N+ 8 599.3547 -0.2
+  851.5145 C45H69N7O9+ 6 851.5151 -0.69
+  896.491 C47H64N10O8+ 3 896.4903 0.76
+  981.5425 C48H73N10O12+ 1 981.5404 2.19
+PK$NUM_PEAK: 71
+PK$PEAK: m/z int. rel.int.
+  103.0542 1310230.2 109
+  105.0698 1512796.8 126
+  107.0855 3892256.2 324
+  112.0869 2685702.5 224
+  113.0708 1101154.9 91
+  114.1027 383893.9 32
+  115.0543 163753.1 13
+  115.0866 1337373.1 111
+  117.0697 654354.9 54
+  120.0809 242729.5 20
+  130.0498 291784 24
+  130.0974 181005.1 15
+  131.0855 253022.4 21
+  132.1019 294740.1 24
+  135.0804 11974956 999
+  135.1167 4140788 345
+  139.0976 393867 32
+  140.0818 957535.2 79
+  141.0662 463425.9 38
+  147.0766 366801.5 30
+  156.1244 964367.8 80
+  157.1084 2563637 213
+  158.0923 584676 48
+  163.1116 3086515.5 257
+  174.1346 2825902.8 235
+  175.119 432279.6 36
+  179.0814 233044 19
+  181.0604 269395.6 22
+  181.1337 222138.9 18
+  183.0879 453455 37
+  185.1284 321945.2 26
+  198.1231 364118.6 30
+  199.0708 847248.6 70
+  200.1135 2746847.5 229
+  201.0975 704852.8 58
+  204.1376 239093.6 19
+  207.0758 428253.8 35
+  208.107 167378.6 13
+  209.1283 1424044.6 118
+  213.1336 824926.5 68
+  217.1326 227973 19
+  223.1178 752581.6 62
+  224.1024 329109.6 27
+  225.1333 475979.3 39
+  226.1178 1429202.1 119
+  226.1568 471696.1 39
+  237.1224 1495601.6 124
+  237.1624 552427 46
+  241.1284 695715.1 58
+  244.1281 933898.7 77
+  251.113 238280.4 19
+  252.0965 388374.4 32
+  254.1482 454812.3 37
+  263.1864 188518.4 15
+  267.1549 175841.7 14
+  269.1235 2202624.2 183
+  270.1074 381174.4 31
+  285.1662 1680785.4 140
+  286.1501 1166613.9 97
+  333.1801 1101262.5 91
+  361.1744 2881983 240
+  382.2059 425548 35
+  511.2973 804685.2 67
+  538.3086 791824.5 66
+  539.2922 958926.6 79
+  556.3186 709300.9 59
+  571.3598 1127568 94
+  599.3545 758802.1 63
+  851.5145 374479.4 31
+  896.491 220411.1 18
+  981.5425 1016977 84
+//
diff --git a/Eawag/MSBNK-EAWAG-ED186107.txt b/Eawag/MSBNK-EAWAG-ED186107.txt
new file mode 100644
index 0000000000..6d45a9e6f8
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED186107.txt
@@ -0,0 +1,158 @@
+ACCESSION: MSBNK-EAWAG-ED186107
+RECORD_TITLE: [Dha7]MC-LR; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1861
+CH$NAME: [Dha7]MC-LR
+CH$NAME: 7-Desmethylmicrocystin-LR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-5,12,19-trimethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C48H72N10O12
+CH$EXACT_MASS: 980.5331177
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCC\N=C(/N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)NC(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C48H72N10O12/c1-25(2)22-36-45(65)58-39(47(68)69)29(6)41(61)55-34(16-13-21-51-48(49)50)44(64)54-33(18-17-26(3)23-27(4)37(70-9)24-32-14-11-10-12-15-32)28(5)40(60)56-35(46(66)67)19-20-38(59)52-30(7)42(62)53-31(8)43(63)57-36/h10-12,14-15,17-18,23,25,27-29,31,33-37,39H,7,13,16,19-22,24H2,1-6,8-9H3,(H,52,59)(H,53,62)(H,54,64)(H,55,61)(H,56,60)(H,57,63)(H,58,65)(H,66,67)(H,68,69)(H4,49,50,51)/b18-17+,26-23+/t27-,28-,29-,31+,33-,34-,35+,36-,37-,39+/m0/s1
+CH$LINK: CHEBI 210293
+CH$LINK: PUBCHEM CID:101642889
+CH$LINK: INCHIKEY WLWITBHAANNFHV-NDUWXMRTSA-N
+CH$LINK: CHEMSPIDER 78429176
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 102-1022
+AC$CHROMATOGRAPHY: COLUMN_NAME Acwuity UPLC HSS T3 1.8um, 3x100mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 85/15 at 0 min, 0/100 at 21 min, 0/100 at 25 min, 2/98 at 25.1 min, 2/98 at 31 min, 85/15 at 31.1 min, 85/15 at 33 min
+AC$CHROMATOGRAPHY: FLOW_RATE 300 uL/min at 0 min, 650 uL/min at 25.1 min, 300 uL/min at 31.1 min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.820 min
+MS$FOCUSED_ION: BASE_PEAK 491.2715
+MS$FOCUSED_ION: PRECURSOR_M/Z 981.5404
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-052r-0910000000-c3909e8308475ef53aaf
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  103.0542 C8H7+ 1 103.0542 0.01
+  105.0699 C8H9+ 1 105.0699 -0.09
+  107.0855 C8H11+ 1 107.0855 -0.14
+  112.0869 C5H10N3+ 1 112.0869 -0.03
+  113.0709 C5H9N2O+ 1 113.0709 -0.32
+  114.1028 C5H12N3+ 1 114.1026 1.57
+  115.0542 C9H7+ 1 115.0542 -0.04
+  115.0866 C5H11N2O+ 1 115.0866 0.3
+  117.0698 C9H9+ 1 117.0699 -0.71
+  119.0858 C9H11+ 1 119.0855 2.58
+  120.081 C8H10N+ 1 120.0808 2.05
+  124.1121 C8H14N+ 1 124.1121 0.26
+  130.0496 C5H8NO3+ 1 130.0499 -2.06
+  131.0855 C10H11+ 1 131.0855 -0.07
+  132.102 C6H14NO2+ 1 132.1019 0.77
+  135.0804 C9H11O+ 1 135.0804 -0.03
+  135.1167 C10H15+ 1 135.1168 -1.11
+  139.098 C6H11N4+ 1 139.0978 1.39
+  140.0819 C6H10N3O+ 1 140.0818 0.34
+  141.0659 C6H9N2O2+ 1 141.0659 0.16
+  143.0851 C11H11+ 1 143.0855 -2.64
+  145.1014 C11H13+ 1 145.1012 1.31
+  147.0767 C5H11N2O3+ 1 147.0764 2.23
+  153.0661 C7H9N2O2+ 1 153.0659 1.6
+  153.1017 C8H13N2O+ 1 153.1022 -3.25
+  156.1243 C6H14N5+ 1 156.1244 -0.31
+  157.1085 C6H13N4O+ 1 157.1084 0.55
+  157.1329 C6H15N5+ 2 157.1322 4.5
+  158.0926 C6H12N3O2+ 1 158.0924 1.21
+  163.1115 C11H15O+ 1 163.1117 -1.53
+  172.1115 C12H14N+ 1 172.1121 -3.3
+  174.1346 C6H16N5O+ 1 174.1349 -2.17
+  175.1187 C6H15N4O2+ 1 175.119 -1.16
+  181.0605 C8H9N2O3+ 1 181.0608 -1.42
+  182.1033 C7H12N5O+ 1 182.1036 -1.63
+  183.0876 C7H11N4O2+ 1 183.0877 -0.5
+  197.1287 C10H17N2O2+ 1 197.1285 1.4
+  198.1227 C7H14N6O+ 2 198.1224 1.86
+  199.0704 C6H9N5O3+ 2 199.07 2.3
+  200.1134 C6H18NO6+ 3 200.1129 2.75
+  201.0976 C7H13N4O3+ 3 201.0982 -2.83
+  204.1371 C11H16N4+ 1 204.1369 0.93
+  208.1443 C11H18N3O+ 1 208.1444 -0.49
+  209.1283 C11H17N2O2+ 1 209.1285 -0.72
+  213.1337 C8H21O6+ 3 213.1333 1.96
+  217.1324 C11H15N5+ 1 217.1322 0.94
+  223.1183 C9H19O6+ 3 223.1176 2.91
+  224.1014 C8H12N6O2+ 3 224.1016 -1.01
+  225.1333 C9H21O6+ 2 225.1333 0.14
+  226.1175 C8H14N6O2+ 2 226.1173 1.19
+  237.1628 C2H21N8O5+ 3 237.1629 -0.41
+  240.1436 C8H16N8O+ 3 240.1442 -2.15
+  252.0964 C9H12N6O3+ 3 252.0965 -0.69
+  263.186 C14H23N4O+ 5 263.1866 -2.42
+  268.1381 C9H16N8O2+ 3 268.1391 -3.76
+  280.2111 C12H24N8+ 3 280.2118 -2.6
+  303.1763 C10H27N2O8+ 4 303.1762 0.21
+PK$NUM_PEAK: 57
+PK$PEAK: m/z int. rel.int.
+  103.0542 4175042.8 297
+  105.0699 3659781.8 260
+  107.0855 6122993.5 436
+  112.0869 3237595.2 230
+  113.0709 1557373.6 110
+  114.1028 593364.1 42
+  115.0542 584217.7 41
+  115.0866 1989775.4 141
+  117.0698 1824685.4 129
+  119.0858 155542.7 11
+  120.081 475736.8 33
+  124.1121 452775.6 32
+  130.0496 330255.7 23
+  131.0855 393488.2 28
+  132.102 158760.3 11
+  135.0804 14024114 999
+  135.1167 4861209.5 346
+  139.098 432674.2 30
+  140.0819 1363073.9 97
+  141.0659 1142582.2 81
+  143.0851 190168.3 13
+  145.1014 277713 19
+  147.0767 220769.2 15
+  153.0661 315478.9 22
+  153.1017 247155.5 17
+  156.1243 255954.1 18
+  157.1085 1945453.4 138
+  157.1329 534854.5 38
+  158.0926 722190.6 51
+  163.1115 2242618.8 159
+  172.1115 314350.4 22
+  174.1346 1150024.1 81
+  175.1187 425507.8 30
+  181.0605 841336.1 59
+  182.1033 303151.9 21
+  183.0876 742455.2 52
+  197.1287 191695.4 13
+  198.1227 223012.6 15
+  199.0704 950452.1 67
+  200.1134 2041479.1 145
+  201.0976 890624.9 63
+  204.1371 160983.4 11
+  208.1443 144048.9 10
+  209.1283 997970.3 71
+  213.1337 388953.9 27
+  217.1324 155161.7 11
+  223.1183 594380.1 42
+  224.1014 348866.4 24
+  225.1333 343728.2 24
+  226.1175 968984.4 69
+  237.1628 313754.6 22
+  240.1436 174441.6 12
+  252.0964 219683.3 15
+  263.186 224434 15
+  268.1381 207667.1 14
+  280.2111 373544.2 26
+  303.1763 189928.9 13
+//
diff --git a/Eawag/MSBNK-EAWAG-ED186108.txt b/Eawag/MSBNK-EAWAG-ED186108.txt
new file mode 100644
index 0000000000..5eb8e96772
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED186108.txt
@@ -0,0 +1,140 @@
+ACCESSION: MSBNK-EAWAG-ED186108
+RECORD_TITLE: [Dha7]MC-LR; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1861
+CH$NAME: [Dha7]MC-LR
+CH$NAME: 7-Desmethylmicrocystin-LR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-5,12,19-trimethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C48H72N10O12
+CH$EXACT_MASS: 980.5331177
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCC\N=C(/N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)NC(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C48H72N10O12/c1-25(2)22-36-45(65)58-39(47(68)69)29(6)41(61)55-34(16-13-21-51-48(49)50)44(64)54-33(18-17-26(3)23-27(4)37(70-9)24-32-14-11-10-12-15-32)28(5)40(60)56-35(46(66)67)19-20-38(59)52-30(7)42(62)53-31(8)43(63)57-36/h10-12,14-15,17-18,23,25,27-29,31,33-37,39H,7,13,16,19-22,24H2,1-6,8-9H3,(H,52,59)(H,53,62)(H,54,64)(H,55,61)(H,56,60)(H,57,63)(H,58,65)(H,66,67)(H,68,69)(H4,49,50,51)/b18-17+,26-23+/t27-,28-,29-,31+,33-,34-,35+,36-,37-,39+/m0/s1
+CH$LINK: CHEBI 210293
+CH$LINK: PUBCHEM CID:101642889
+CH$LINK: INCHIKEY WLWITBHAANNFHV-NDUWXMRTSA-N
+CH$LINK: CHEMSPIDER 78429176
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 102-1022
+AC$CHROMATOGRAPHY: COLUMN_NAME Acwuity UPLC HSS T3 1.8um, 3x100mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 85/15 at 0 min, 0/100 at 21 min, 0/100 at 25 min, 2/98 at 25.1 min, 2/98 at 31 min, 85/15 at 31.1 min, 85/15 at 33 min
+AC$CHROMATOGRAPHY: FLOW_RATE 300 uL/min at 0 min, 650 uL/min at 25.1 min, 300 uL/min at 31.1 min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.820 min
+MS$FOCUSED_ION: BASE_PEAK 491.2715
+MS$FOCUSED_ION: PRECURSOR_M/Z 981.5404
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0k9i-0900000000-21e5a83436d2518652dd
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  103.0542 C8H7+ 1 103.0542 -0.14
+  105.0698 C8H9+ 1 105.0699 -0.46
+  107.0855 C8H11+ 1 107.0855 -0.43
+  109.065 C7H9O+ 1 109.0648 1.72
+  110.0601 C6H8NO+ 1 110.06 0.3
+  112.0869 C5H10N3+ 1 112.0869 -0.3
+  113.071 C5H9N2O+ 1 113.0709 0.29
+  114.1025 C5H12N3+ 1 114.1026 -0.84
+  115.0542 C9H7+ 1 115.0542 -0.57
+  115.0866 C5H11N2O+ 1 115.0866 -0.3
+  117.0699 C9H9+ 1 117.0699 -0.19
+  119.0854 C9H11+ 1 119.0855 -1.26
+  120.0572 C8H8O+ 1 120.057 1.66
+  124.1122 C8H14N+ 1 124.1121 0.93
+  125.0714 C6H9N2O+ 1 125.0709 3.69
+  130.05 C5H8NO3+ 1 130.0499 0.99
+  131.0855 C10H11+ 1 131.0855 -0.07
+  133.1016 C10H13+ 1 133.1012 3.4
+  135.0804 C9H11O+ 1 135.0804 -0.25
+  135.1166 C10H15+ 1 135.1168 -1.34
+  136.0395 C7H6NO2+ 1 136.0393 1.61
+  139.0976 C6H11N4+ 1 139.0978 -1.25
+  140.0819 C6H10N3O+ 1 140.0818 0.23
+  141.0659 C6H9N2O2+ 1 141.0659 0.27
+  143.0855 C11H11+ 1 143.0855 -0.41
+  145.1011 C11H13+ 1 145.1012 -0.48
+  151.0865 C8H11N2O+ 1 151.0866 -0.62
+  153.0659 C7H9N2O2+ 1 153.0659 0.4
+  157.1084 C6H13N4O+ 1 157.1084 -0.22
+  157.1328 C6H15N5+ 1 157.1322 3.53
+  158.0925 C6H12N3O2+ 1 158.0924 0.83
+  163.1116 C11H15O+ 1 163.1117 -0.69
+  172.1121 C12H14N+ 1 172.1121 0.07
+  174.135 C6H16N5O+ 1 174.1349 0.37
+  179.0818 C9H11N2O2+ 1 179.0815 1.4
+  181.0603 C8H9N2O3+ 1 181.0608 -2.35
+  181.1334 C10H17N2O+ 1 181.1335 -0.51
+  182.1032 C7H12N5O+ 3 182.1036 -2.64
+  183.0873 C7H11N4O2+ 1 183.0877 -1.75
+  199.0706 C6H9N5O3+ 2 199.07 3.22
+  200.1133 C6H18NO6+ 3 200.1129 2.21
+  201.0982 C7H13N4O3+ 1 201.0982 -0.02
+  204.1372 C11H16N4+ 1 204.1369 1.15
+  208.107 C8H12N6O+ 1 208.1067 1.23
+  208.1447 C11H18N3O+ 1 208.1444 1.41
+  209.1282 C11H17N2O2+ 1 209.1285 -1.09
+  224.1015 C8H12N6O2+ 1 224.1016 -0.74
+  226.1175 C8H14N6O2+ 2 226.1173 1.19
+PK$NUM_PEAK: 48
+PK$PEAK: m/z int. rel.int.
+  103.0542 7773506.5 861
+  105.0698 5079220 563
+  107.0855 6172126.5 684
+  109.065 101114.9 11
+  110.0601 97644.5 10
+  112.0869 2757233.2 305
+  113.071 1585067.6 175
+  114.1025 512196.1 56
+  115.0542 970172.7 107
+  115.0866 1634581.6 181
+  117.0699 2363683.8 262
+  119.0854 287759.7 31
+  120.0572 251736.6 27
+  124.1122 282723.2 31
+  125.0714 97915.3 10
+  130.05 297969.7 33
+  131.0855 356959.4 39
+  133.1016 121988.7 13
+  135.0804 9012409 999
+  135.1166 3200794.5 354
+  136.0395 256023.6 28
+  139.0976 250729.7 27
+  140.0819 916656.1 101
+  141.0659 1259303.4 139
+  143.0855 228885.3 25
+  145.1011 281571.8 31
+  151.0865 163900.2 18
+  153.0659 440599 48
+  157.1084 922743.1 102
+  157.1328 304376.8 33
+  158.0925 451523.7 50
+  163.1116 804631 89
+  172.1121 273549.4 30
+  174.135 284528.1 31
+  179.0818 290536.7 32
+  181.0603 727647.2 80
+  181.1334 490056 54
+  182.1032 372817.2 41
+  183.0873 360723.6 39
+  199.0706 738653.4 81
+  200.1133 760467.6 84
+  201.0982 420034.6 46
+  204.1372 99158.6 10
+  208.107 155373.7 17
+  208.1447 91856 10
+  209.1282 324095.3 35
+  224.1015 156509.5 17
+  226.1175 466558.7 51
+//
diff --git a/Eawag/MSBNK-EAWAG-ED186109.txt b/Eawag/MSBNK-EAWAG-ED186109.txt
new file mode 100644
index 0000000000..0864f75423
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED186109.txt
@@ -0,0 +1,124 @@
+ACCESSION: MSBNK-EAWAG-ED186109
+RECORD_TITLE: [Dha7]MC-LR; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1861
+CH$NAME: [Dha7]MC-LR
+CH$NAME: 7-Desmethylmicrocystin-LR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-5,12,19-trimethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C48H72N10O12
+CH$EXACT_MASS: 980.5331177
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCC\N=C(/N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)NC(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C48H72N10O12/c1-25(2)22-36-45(65)58-39(47(68)69)29(6)41(61)55-34(16-13-21-51-48(49)50)44(64)54-33(18-17-26(3)23-27(4)37(70-9)24-32-14-11-10-12-15-32)28(5)40(60)56-35(46(66)67)19-20-38(59)52-30(7)42(62)53-31(8)43(63)57-36/h10-12,14-15,17-18,23,25,27-29,31,33-37,39H,7,13,16,19-22,24H2,1-6,8-9H3,(H,52,59)(H,53,62)(H,54,64)(H,55,61)(H,56,60)(H,57,63)(H,58,65)(H,66,67)(H,68,69)(H4,49,50,51)/b18-17+,26-23+/t27-,28-,29-,31+,33-,34-,35+,36-,37-,39+/m0/s1
+CH$LINK: CHEBI 210293
+CH$LINK: PUBCHEM CID:101642889
+CH$LINK: INCHIKEY WLWITBHAANNFHV-NDUWXMRTSA-N
+CH$LINK: CHEMSPIDER 78429176
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 102-1022
+AC$CHROMATOGRAPHY: COLUMN_NAME Acwuity UPLC HSS T3 1.8um, 3x100mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 85/15 at 0 min, 0/100 at 21 min, 0/100 at 25 min, 2/98 at 25.1 min, 2/98 at 31 min, 85/15 at 31.1 min, 85/15 at 33 min
+AC$CHROMATOGRAPHY: FLOW_RATE 300 uL/min at 0 min, 650 uL/min at 25.1 min, 300 uL/min at 31.1 min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.820 min
+MS$FOCUSED_ION: BASE_PEAK 491.2715
+MS$FOCUSED_ION: PRECURSOR_M/Z 981.5404
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0pbi-0900000000-9c21d940b018b1994fe5
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  103.0542 C8H7+ 1 103.0542 -0.21
+  105.0698 C8H9+ 1 105.0699 -0.6
+  107.0855 C8H11+ 1 107.0855 -0.5
+  109.0648 C7H9O+ 1 109.0648 0.39
+  110.06 C6H8NO+ 1 110.06 -0.67
+  110.0965 C7H12N+ 1 110.0964 0.85
+  112.0869 C5H10N3+ 1 112.0869 -0.37
+  113.0709 C5H9N2O+ 1 113.0709 -0.52
+  114.1024 C5H12N3+ 1 114.1026 -1.24
+  115.0542 C9H7+ 1 115.0542 -0.44
+  115.0865 C5H11N2O+ 1 115.0866 -0.7
+  117.0698 C9H9+ 1 117.0699 -0.65
+  119.0855 C9H11+ 1 119.0855 -0.43
+  120.0571 C8H8O+ 1 120.057 0.89
+  120.0807 C8H10N+ 1 120.0808 -0.68
+  124.1117 C8H14N+ 1 124.1121 -3
+  125.0711 C6H9N2O+ 1 125.0709 1.61
+  130.05 C5H8NO3+ 1 130.0499 0.76
+  130.0976 C5H12N3O+ 1 130.0975 1.03
+  131.0855 C10H11+ 1 131.0855 -0.07
+  133.1009 C10H13+ 1 133.1012 -1.76
+  135.0804 C9H11O+ 1 135.0804 -0.14
+  135.1166 C10H15+ 1 135.1168 -1.34
+  136.0392 C7H6NO2+ 1 136.0393 -0.75
+  140.082 C6H10N3O+ 1 140.0818 1.43
+  141.0658 C6H9N2O2+ 1 141.0659 -0.38
+  145.1014 C11H13+ 1 145.1012 1.63
+  151.0868 C8H11N2O+ 1 151.0866 1.2
+  153.0658 C7H9N2O2+ 1 153.0659 -0.3
+  153.1019 C8H13N2O+ 1 153.1022 -2.35
+  158.0931 C6H12N3O2+ 2 158.0924 4.11
+  163.1115 C11H15O+ 1 163.1117 -1.53
+  172.1118 C12H14N+ 1 172.1121 -1.88
+  179.082 C9H11N2O2+ 1 179.0815 2.68
+  181.0603 C8H9N2O3+ 2 181.0608 -2.6
+  181.1331 C10H17N2O+ 1 181.1335 -2.2
+  182.1033 C7H12N5O+ 1 182.1036 -1.8
+  199.0702 C6H9N5O3+ 1 199.07 1.23
+  200.1132 C6H18NO6+ 3 200.1129 1.91
+  201.0972 C7H13N4O3+ 3 201.0982 -4.95
+PK$NUM_PEAK: 40
+PK$PEAK: m/z int. rel.int.
+  103.0542 10456472 999
+  105.0698 5355955 511
+  107.0855 5402474 516
+  109.0648 130856 12
+  110.06 143575.4 13
+  110.0965 146448.8 13
+  112.0869 1779254 169
+  113.0709 1147604.9 109
+  114.1024 361248.5 34
+  115.0542 1395737.9 133
+  115.0865 963334.3 92
+  117.0698 2149441.2 205
+  119.0855 301674 28
+  120.0571 248037 23
+  120.0807 295104.2 28
+  124.1117 116379.2 11
+  125.0711 139782.2 13
+  130.05 243307.4 23
+  130.0976 240058.5 22
+  131.0855 239587.5 22
+  133.1009 137147.5 13
+  135.0804 3863589.2 369
+  135.1166 1712361.4 163
+  136.0392 224136.2 21
+  140.082 397517.3 37
+  141.0658 1059361.1 101
+  145.1014 148750.9 14
+  151.0868 159636.9 15
+  153.0658 640789 61
+  153.1019 187722.9 17
+  158.0931 172086.5 16
+  163.1115 155124.8 14
+  172.1118 150334.2 14
+  179.082 204470.9 19
+  181.0603 536901.3 51
+  181.1331 193961.6 18
+  182.1033 181828.8 17
+  199.0702 309114.2 29
+  200.1132 232508.3 22
+  201.0972 176559.3 16
+//
diff --git a/Eawag/MSBNK-EAWAG-ED186151.txt b/Eawag/MSBNK-EAWAG-ED186151.txt
new file mode 100644
index 0000000000..d45e110fea
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED186151.txt
@@ -0,0 +1,48 @@
+ACCESSION: MSBNK-EAWAG-ED186151
+RECORD_TITLE: [Dha7]MC-LR; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1861
+CH$NAME: [Dha7]MC-LR
+CH$NAME: 7-Desmethylmicrocystin-LR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-5,12,19-trimethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C48H72N10O12
+CH$EXACT_MASS: 980.5331177
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCC\N=C(/N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)NC(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C48H72N10O12/c1-25(2)22-36-45(65)58-39(47(68)69)29(6)41(61)55-34(16-13-21-51-48(49)50)44(64)54-33(18-17-26(3)23-27(4)37(70-9)24-32-14-11-10-12-15-32)28(5)40(60)56-35(46(66)67)19-20-38(59)52-30(7)42(62)53-31(8)43(63)57-36/h10-12,14-15,17-18,23,25,27-29,31,33-37,39H,7,13,16,19-22,24H2,1-6,8-9H3,(H,52,59)(H,53,62)(H,54,64)(H,55,61)(H,56,60)(H,57,63)(H,58,65)(H,66,67)(H,68,69)(H4,49,50,51)/b18-17+,26-23+/t27-,28-,29-,31+,33-,34-,35+,36-,37-,39+/m0/s1
+CH$LINK: CHEBI 210293
+CH$LINK: PUBCHEM CID:101642889
+CH$LINK: INCHIKEY WLWITBHAANNFHV-NDUWXMRTSA-N
+CH$LINK: CHEMSPIDER 78429176
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 101-1020
+AC$CHROMATOGRAPHY: COLUMN_NAME Acwuity UPLC HSS T3 1.8um, 3x100mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 85/15 at 0 min, 0/100 at 21 min, 0/100 at 25 min, 2/98 at 25.1 min, 2/98 at 31 min, 85/15 at 31.1 min, 85/15 at 33 min
+AC$CHROMATOGRAPHY: FLOW_RATE 300 uL/min at 0 min, 650 uL/min at 25.1 min, 300 uL/min at 31.1 min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.833 min
+MS$FOCUSED_ION: BASE_PEAK 979.5259
+MS$FOCUSED_ION: PRECURSOR_M/Z 979.5258
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-004i-0000000009-fb7e89299ad4e3dd6bf9
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  961.5157 C48H69N10O11- 1 961.5153 0.46
+  979.5256 C48H71N10O12- 1 979.5258 -0.23
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  961.5157 1108781.6 15
+  979.5256 69269792 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED186152.txt b/Eawag/MSBNK-EAWAG-ED186152.txt
new file mode 100644
index 0000000000..8fcfa1d909
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED186152.txt
@@ -0,0 +1,48 @@
+ACCESSION: MSBNK-EAWAG-ED186152
+RECORD_TITLE: [Dha7]MC-LR; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1861
+CH$NAME: [Dha7]MC-LR
+CH$NAME: 7-Desmethylmicrocystin-LR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-5,12,19-trimethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C48H72N10O12
+CH$EXACT_MASS: 980.5331177
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCC\N=C(/N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)NC(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C48H72N10O12/c1-25(2)22-36-45(65)58-39(47(68)69)29(6)41(61)55-34(16-13-21-51-48(49)50)44(64)54-33(18-17-26(3)23-27(4)37(70-9)24-32-14-11-10-12-15-32)28(5)40(60)56-35(46(66)67)19-20-38(59)52-30(7)42(62)53-31(8)43(63)57-36/h10-12,14-15,17-18,23,25,27-29,31,33-37,39H,7,13,16,19-22,24H2,1-6,8-9H3,(H,52,59)(H,53,62)(H,54,64)(H,55,61)(H,56,60)(H,57,63)(H,58,65)(H,66,67)(H,68,69)(H4,49,50,51)/b18-17+,26-23+/t27-,28-,29-,31+,33-,34-,35+,36-,37-,39+/m0/s1
+CH$LINK: CHEBI 210293
+CH$LINK: PUBCHEM CID:101642889
+CH$LINK: INCHIKEY WLWITBHAANNFHV-NDUWXMRTSA-N
+CH$LINK: CHEMSPIDER 78429176
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 101-1020
+AC$CHROMATOGRAPHY: COLUMN_NAME Acwuity UPLC HSS T3 1.8um, 3x100mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 85/15 at 0 min, 0/100 at 21 min, 0/100 at 25 min, 2/98 at 25.1 min, 2/98 at 31 min, 85/15 at 31.1 min, 85/15 at 33 min
+AC$CHROMATOGRAPHY: FLOW_RATE 300 uL/min at 0 min, 650 uL/min at 25.1 min, 300 uL/min at 31.1 min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.833 min
+MS$FOCUSED_ION: BASE_PEAK 979.5259
+MS$FOCUSED_ION: PRECURSOR_M/Z 979.5258
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-004i-0000000009-db3a583c3105788119ca
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  961.5153 C48H69N10O11- 1 961.5153 0.01
+  979.5256 C48H71N10O12- 1 979.5258 -0.29
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  961.5153 9962660 131
+  979.5256 75463184 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED186153.txt b/Eawag/MSBNK-EAWAG-ED186153.txt
new file mode 100644
index 0000000000..07dd37ec63
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED186153.txt
@@ -0,0 +1,58 @@
+ACCESSION: MSBNK-EAWAG-ED186153
+RECORD_TITLE: [Dha7]MC-LR; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1861
+CH$NAME: [Dha7]MC-LR
+CH$NAME: 7-Desmethylmicrocystin-LR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-5,12,19-trimethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C48H72N10O12
+CH$EXACT_MASS: 980.5331177
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCC\N=C(/N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)NC(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C48H72N10O12/c1-25(2)22-36-45(65)58-39(47(68)69)29(6)41(61)55-34(16-13-21-51-48(49)50)44(64)54-33(18-17-26(3)23-27(4)37(70-9)24-32-14-11-10-12-15-32)28(5)40(60)56-35(46(66)67)19-20-38(59)52-30(7)42(62)53-31(8)43(63)57-36/h10-12,14-15,17-18,23,25,27-29,31,33-37,39H,7,13,16,19-22,24H2,1-6,8-9H3,(H,52,59)(H,53,62)(H,54,64)(H,55,61)(H,56,60)(H,57,63)(H,58,65)(H,66,67)(H,68,69)(H4,49,50,51)/b18-17+,26-23+/t27-,28-,29-,31+,33-,34-,35+,36-,37-,39+/m0/s1
+CH$LINK: CHEBI 210293
+CH$LINK: PUBCHEM CID:101642889
+CH$LINK: INCHIKEY WLWITBHAANNFHV-NDUWXMRTSA-N
+CH$LINK: CHEMSPIDER 78429176
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 101-1020
+AC$CHROMATOGRAPHY: COLUMN_NAME Acwuity UPLC HSS T3 1.8um, 3x100mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 85/15 at 0 min, 0/100 at 21 min, 0/100 at 25 min, 2/98 at 25.1 min, 2/98 at 31 min, 85/15 at 31.1 min, 85/15 at 33 min
+AC$CHROMATOGRAPHY: FLOW_RATE 300 uL/min at 0 min, 650 uL/min at 25.1 min, 300 uL/min at 31.1 min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.833 min
+MS$FOCUSED_ION: BASE_PEAK 979.5259
+MS$FOCUSED_ION: PRECURSOR_M/Z 979.5258
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-01t9-0000000009-bc7ef5f763cb5e26103b
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  128.0353 C5H6NO3- 1 128.0353 -0.45
+  850.4809 C40H66N8O12- 3 850.4806 0.37
+  867.5098 C43H67N10O9- 5 867.5098 -0.02
+  937.5034 C47H69N8O12- 1 937.504 -0.68
+  944.4891 C48H66N9O11- 1 944.4887 0.44
+  961.515 C48H69N10O11- 1 961.5153 -0.31
+  979.5253 C48H71N10O12- 1 979.5258 -0.54
+PK$NUM_PEAK: 7
+PK$PEAK: m/z int. rel.int.
+  128.0353 378494.9 11
+  850.4809 741917.7 22
+  867.5098 422717.7 12
+  937.5034 361930.7 10
+  944.4891 365624 10
+  961.515 26323826 782
+  979.5253 33602980 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED186154.txt b/Eawag/MSBNK-EAWAG-ED186154.txt
new file mode 100644
index 0000000000..dbc54ad1ae
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED186154.txt
@@ -0,0 +1,70 @@
+ACCESSION: MSBNK-EAWAG-ED186154
+RECORD_TITLE: [Dha7]MC-LR; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1861
+CH$NAME: [Dha7]MC-LR
+CH$NAME: 7-Desmethylmicrocystin-LR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-5,12,19-trimethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C48H72N10O12
+CH$EXACT_MASS: 980.5331177
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCC\N=C(/N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)NC(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C48H72N10O12/c1-25(2)22-36-45(65)58-39(47(68)69)29(6)41(61)55-34(16-13-21-51-48(49)50)44(64)54-33(18-17-26(3)23-27(4)37(70-9)24-32-14-11-10-12-15-32)28(5)40(60)56-35(46(66)67)19-20-38(59)52-30(7)42(62)53-31(8)43(63)57-36/h10-12,14-15,17-18,23,25,27-29,31,33-37,39H,7,13,16,19-22,24H2,1-6,8-9H3,(H,52,59)(H,53,62)(H,54,64)(H,55,61)(H,56,60)(H,57,63)(H,58,65)(H,66,67)(H,68,69)(H4,49,50,51)/b18-17+,26-23+/t27-,28-,29-,31+,33-,34-,35+,36-,37-,39+/m0/s1
+CH$LINK: CHEBI 210293
+CH$LINK: PUBCHEM CID:101642889
+CH$LINK: INCHIKEY WLWITBHAANNFHV-NDUWXMRTSA-N
+CH$LINK: CHEMSPIDER 78429176
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 101-1020
+AC$CHROMATOGRAPHY: COLUMN_NAME Acwuity UPLC HSS T3 1.8um, 3x100mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 85/15 at 0 min, 0/100 at 21 min, 0/100 at 25 min, 2/98 at 25.1 min, 2/98 at 31 min, 85/15 at 31.1 min, 85/15 at 33 min
+AC$CHROMATOGRAPHY: FLOW_RATE 300 uL/min at 0 min, 650 uL/min at 25.1 min, 300 uL/min at 31.1 min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.833 min
+MS$FOCUSED_ION: BASE_PEAK 979.5259
+MS$FOCUSED_ION: PRECURSOR_M/Z 979.5258
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-03di-0000000009-7ab39f02e7ed59cf173e
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  128.0352 C5H6NO3- 1 128.0353 -1.04
+  251.1498 C10H17N7O- 4 251.15 -0.99
+  311.171 C12H21N7O3- 5 311.1711 -0.3
+  691.3463 C36H47N6O8- 11 691.3461 0.3
+  850.4813 C40H66N8O12- 3 850.4806 0.87
+  867.5086 C43H67N10O9- 4 867.5098 -1.35
+  917.5241 C44H71N9O12- 2 917.5228 1.43
+  919.4948 C47H67N8O11- 1 919.4935 1.42
+  935.5381 C47H71N10O10- 1 935.536 2.27
+  943.5024 C48H67N10O10- 1 943.5047 -2.46
+  944.4893 C48H66N9O11- 1 944.4887 0.64
+  961.5147 C48H69N10O11- 1 961.5153 -0.56
+  979.5249 C48H71N10O12- 1 979.5258 -0.97
+PK$NUM_PEAK: 13
+PK$PEAK: m/z int. rel.int.
+  128.0352 4000316.2 128
+  251.1498 314386.3 10
+  311.171 1250474.8 40
+  691.3463 504622.3 16
+  850.4813 879886.7 28
+  867.5086 847023.4 27
+  917.5241 367018.5 11
+  919.4948 507229.4 16
+  935.5381 455464.5 14
+  943.5024 582605.5 18
+  944.4893 877247.5 28
+  961.5147 31037864 999
+  979.5249 8482738 273
+//
diff --git a/Eawag/MSBNK-EAWAG-ED186155.txt b/Eawag/MSBNK-EAWAG-ED186155.txt
new file mode 100644
index 0000000000..df629e07b6
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED186155.txt
@@ -0,0 +1,104 @@
+ACCESSION: MSBNK-EAWAG-ED186155
+RECORD_TITLE: [Dha7]MC-LR; LC-ESI-QFT; MS2; CE: 35%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1861
+CH$NAME: [Dha7]MC-LR
+CH$NAME: 7-Desmethylmicrocystin-LR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-5,12,19-trimethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C48H72N10O12
+CH$EXACT_MASS: 980.5331177
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCC\N=C(/N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)NC(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C48H72N10O12/c1-25(2)22-36-45(65)58-39(47(68)69)29(6)41(61)55-34(16-13-21-51-48(49)50)44(64)54-33(18-17-26(3)23-27(4)37(70-9)24-32-14-11-10-12-15-32)28(5)40(60)56-35(46(66)67)19-20-38(59)52-30(7)42(62)53-31(8)43(63)57-36/h10-12,14-15,17-18,23,25,27-29,31,33-37,39H,7,13,16,19-22,24H2,1-6,8-9H3,(H,52,59)(H,53,62)(H,54,64)(H,55,61)(H,56,60)(H,57,63)(H,58,65)(H,66,67)(H,68,69)(H4,49,50,51)/b18-17+,26-23+/t27-,28-,29-,31+,33-,34-,35+,36-,37-,39+/m0/s1
+CH$LINK: CHEBI 210293
+CH$LINK: PUBCHEM CID:101642889
+CH$LINK: INCHIKEY WLWITBHAANNFHV-NDUWXMRTSA-N
+CH$LINK: CHEMSPIDER 78429176
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 35 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 101-1020
+AC$CHROMATOGRAPHY: COLUMN_NAME Acwuity UPLC HSS T3 1.8um, 3x100mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 85/15 at 0 min, 0/100 at 21 min, 0/100 at 25 min, 2/98 at 25.1 min, 2/98 at 31 min, 85/15 at 31.1 min, 85/15 at 33 min
+AC$CHROMATOGRAPHY: FLOW_RATE 300 uL/min at 0 min, 650 uL/min at 25.1 min, 300 uL/min at 31.1 min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.833 min
+MS$FOCUSED_ION: BASE_PEAK 979.5259
+MS$FOCUSED_ION: PRECURSOR_M/Z 979.5258
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-03fr-0760000009-b32757a73f23766b4886
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  110.0249 C5H4NO2- 1 110.0248 1.23
+  127.0513 C5H7N2O2- 1 127.0513 -0.24
+  128.0352 C5H6NO3- 1 128.0353 -0.69
+  139.0511 C6H7N2O2- 1 139.0513 -1.23
+  153.0663 C7H9N2O2- 2 153.067 -4.49
+  155.0815 C5H9N5O- 1 155.0813 1.73
+  156.0773 C6H10N3O2- 1 156.0779 -3.41
+  165.1027 C9H13N2O- 2 165.1033 -3.88
+  181.0612 C8H9N2O3- 2 181.0619 -3.43
+  181.0974 C7H11N5O- 2 181.0969 2.58
+  184.0605 C6H8N4O3- 1 184.0602 1.92
+  200.1394 C7H16N6O- 1 200.1391 1.67
+  206.0927 C8H10N6O- 2 206.0922 2.7
+  226.1185 C8H14N6O2- 1 226.1184 0.56
+  240.1338 C9H16N6O2- 3 240.134 -0.87
+  248.1138 C9H12N8O- 3 248.114 -0.71
+  251.1498 C10H17N7O- 4 251.15 -0.74
+  269.1606 C11H25O7- 3 269.1606 0.14
+  293.1605 C14H21N4O3- 5 293.1619 -4.83
+  296.1476 C11H18N7O3- 5 296.1477 -0.23
+  297.1561 C12H25O8- 3 297.1555 2.08
+  313.1796 C18H23N3O2- 5 313.1796 0.23
+  563.2836 C26H39N6O8- 10 563.2835 0.2
+  580.3134 C45H40- 8 580.3135 -0.33
+  691.3465 C36H47N6O8- 9 691.3461 0.66
+  919.493 C47H67N8O11- 1 919.4935 -0.57
+  943.5059 C48H67N10O10- 1 943.5047 1.22
+  944.4896 C48H66N9O11- 1 944.4887 0.96
+  961.515 C48H69N10O11- 1 961.5153 -0.31
+  979.524 C48H71N10O12- 1 979.5258 -1.91
+PK$NUM_PEAK: 30
+PK$PEAK: m/z int. rel.int.
+  110.0249 237602.6 21
+  127.0513 220835.3 19
+  128.0352 9131783 822
+  139.0511 331356.9 29
+  153.0663 158215.6 14
+  155.0815 176639.8 15
+  156.0773 141953.9 12
+  165.1027 271697.2 24
+  181.0612 117325.4 10
+  181.0974 198173.8 17
+  184.0605 299627.4 26
+  200.1394 649987.8 58
+  206.0927 117067.6 10
+  226.1185 364006.4 32
+  240.1338 366800.7 33
+  248.1138 280995.4 25
+  251.1498 1539194.5 138
+  269.1606 4151906.2 373
+  293.1605 468680.8 42
+  296.1476 546899.6 49
+  297.1561 439866.3 39
+  313.1796 229116.8 20
+  563.2836 220967.3 19
+  580.3134 1194216.4 107
+  691.3465 375668.8 33
+  919.493 549174 49
+  943.5059 332682 29
+  944.4896 509367.1 45
+  961.515 11093493 999
+  979.524 726148.8 65
+//
diff --git a/Eawag/MSBNK-EAWAG-ED186156.txt b/Eawag/MSBNK-EAWAG-ED186156.txt
new file mode 100644
index 0000000000..d32ad2284c
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED186156.txt
@@ -0,0 +1,118 @@
+ACCESSION: MSBNK-EAWAG-ED186156
+RECORD_TITLE: [Dha7]MC-LR; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1861
+CH$NAME: [Dha7]MC-LR
+CH$NAME: 7-Desmethylmicrocystin-LR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-5,12,19-trimethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C48H72N10O12
+CH$EXACT_MASS: 980.5331177
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCC\N=C(/N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)NC(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C48H72N10O12/c1-25(2)22-36-45(65)58-39(47(68)69)29(6)41(61)55-34(16-13-21-51-48(49)50)44(64)54-33(18-17-26(3)23-27(4)37(70-9)24-32-14-11-10-12-15-32)28(5)40(60)56-35(46(66)67)19-20-38(59)52-30(7)42(62)53-31(8)43(63)57-36/h10-12,14-15,17-18,23,25,27-29,31,33-37,39H,7,13,16,19-22,24H2,1-6,8-9H3,(H,52,59)(H,53,62)(H,54,64)(H,55,61)(H,56,60)(H,57,63)(H,58,65)(H,66,67)(H,68,69)(H4,49,50,51)/b18-17+,26-23+/t27-,28-,29-,31+,33-,34-,35+,36-,37-,39+/m0/s1
+CH$LINK: CHEBI 210293
+CH$LINK: PUBCHEM CID:101642889
+CH$LINK: INCHIKEY WLWITBHAANNFHV-NDUWXMRTSA-N
+CH$LINK: CHEMSPIDER 78429176
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 101-1020
+AC$CHROMATOGRAPHY: COLUMN_NAME Acwuity UPLC HSS T3 1.8um, 3x100mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 85/15 at 0 min, 0/100 at 21 min, 0/100 at 25 min, 2/98 at 25.1 min, 2/98 at 31 min, 85/15 at 31.1 min, 85/15 at 33 min
+AC$CHROMATOGRAPHY: FLOW_RATE 300 uL/min at 0 min, 650 uL/min at 25.1 min, 300 uL/min at 31.1 min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.833 min
+MS$FOCUSED_ION: BASE_PEAK 979.5259
+MS$FOCUSED_ION: PRECURSOR_M/Z 979.5258
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-004i-0960000000-97e84549273efed50a48
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  110.0248 C5H4NO2- 1 110.0248 0.19
+  111.0202 C4H3N2O2- 1 111.02 1.47
+  112.0405 C5H6NO2- 1 112.0404 0.68
+  124.0401 C6H6NO2- 1 124.0404 -2.26
+  127.0513 C5H7N2O2- 1 127.0513 -0.24
+  128.0353 C5H6NO3- 1 128.0353 -0.45
+  129.1033 C6H13N2O- 1 129.1033 0.06
+  131.0867 C10H11- 1 131.0866 0.81
+  139.0512 C6H7N2O2- 1 139.0513 -0.9
+  139.0877 C7H11N2O- 1 139.0877 0.13
+  155.0818 C5H9N5O- 1 155.0813 3.4
+  156.0774 C6H10N3O2- 1 156.0779 -3.12
+  165.1028 C9H13N2O- 1 165.1033 -2.96
+  179.0455 C6H5N5O2- 2 179.0449 3.61
+  181.0614 C8H9N2O3- 2 181.0619 -2.76
+  181.0976 C7H11N5O- 2 181.0969 3.93
+  182.1291 C7H14N6- 2 182.1285 3
+  183.1127 C7H13N5O- 1 183.1126 0.81
+  184.0605 C6H8N4O3- 1 184.0602 1.76
+  198.1227 C7H14N6O- 3 198.1235 -4
+  200.1395 C7H16N6O- 2 200.1391 1.83
+  206.0923 C8H10N6O- 1 206.0922 0.85
+  208.1442 C9H16N6- 1 208.1442 0.05
+  210.1227 C8H14N6O- 3 210.1235 -3.84
+  223.1199 C10H15N4O2- 1 223.12 -0.78
+  226.1185 C8H14N6O2- 1 226.1184 0.63
+  240.1335 C9H16N6O2- 3 240.134 -2.01
+  248.1139 C9H12N8O- 2 248.114 -0.04
+  251.1499 C10H17N7O- 2 251.15 -0.32
+  269.1607 C11H25O7- 3 269.1606 0.37
+  293.1608 C14H21N4O3- 3 293.1619 -3.79
+  296.1477 C11H18N7O3- 5 296.1477 -0.02
+  311.171 C12H21N7O3- 5 311.1711 -0.3
+  313.1797 C18H23N3O2- 5 313.1796 0.33
+  370.2501 C22H32N3O2- 6 370.25 0.38
+  580.3132 C45H40- 8 580.3135 -0.64
+  961.515 C48H69N10O11- 1 961.5153 -0.31
+PK$NUM_PEAK: 37
+PK$PEAK: m/z int. rel.int.
+  110.0248 462821.9 48
+  111.0202 101211.2 10
+  112.0405 163108 16
+  124.0401 105633.4 11
+  127.0513 365143.5 38
+  128.0353 9592002 999
+  129.1033 293010.6 30
+  131.0867 137605 14
+  139.0512 759533 79
+  139.0877 105790.5 11
+  155.0818 425793.1 44
+  156.0774 199788.9 20
+  165.1028 743965.6 77
+  179.0455 167359.2 17
+  181.0614 173111.3 18
+  181.0976 339000.7 35
+  182.1291 326645.7 34
+  183.1127 103482.7 10
+  184.0605 231866.4 24
+  198.1227 313479.9 32
+  200.1395 1250528.2 130
+  206.0923 288426.6 30
+  208.1442 207101.5 21
+  210.1227 194296.2 20
+  223.1199 164155.7 17
+  226.1185 464486.2 48
+  240.1335 293022.3 30
+  248.1139 235236.7 24
+  251.1499 2995335.5 311
+  269.1607 3828057.2 398
+  293.1608 564567.6 58
+  296.1477 745930.4 77
+  311.171 1059696.6 110
+  313.1797 324581.3 33
+  370.2501 274116.2 28
+  580.3132 458551.5 47
+  961.515 1290032.9 134
+//
diff --git a/Eawag/MSBNK-EAWAG-ED186157.txt b/Eawag/MSBNK-EAWAG-ED186157.txt
new file mode 100644
index 0000000000..427cc20dbc
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED186157.txt
@@ -0,0 +1,142 @@
+ACCESSION: MSBNK-EAWAG-ED186157
+RECORD_TITLE: [Dha7]MC-LR; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1861
+CH$NAME: [Dha7]MC-LR
+CH$NAME: 7-Desmethylmicrocystin-LR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-5,12,19-trimethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C48H72N10O12
+CH$EXACT_MASS: 980.5331177
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCC\N=C(/N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)NC(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C48H72N10O12/c1-25(2)22-36-45(65)58-39(47(68)69)29(6)41(61)55-34(16-13-21-51-48(49)50)44(64)54-33(18-17-26(3)23-27(4)37(70-9)24-32-14-11-10-12-15-32)28(5)40(60)56-35(46(66)67)19-20-38(59)52-30(7)42(62)53-31(8)43(63)57-36/h10-12,14-15,17-18,23,25,27-29,31,33-37,39H,7,13,16,19-22,24H2,1-6,8-9H3,(H,52,59)(H,53,62)(H,54,64)(H,55,61)(H,56,60)(H,57,63)(H,58,65)(H,66,67)(H,68,69)(H4,49,50,51)/b18-17+,26-23+/t27-,28-,29-,31+,33-,34-,35+,36-,37-,39+/m0/s1
+CH$LINK: CHEBI 210293
+CH$LINK: PUBCHEM CID:101642889
+CH$LINK: INCHIKEY WLWITBHAANNFHV-NDUWXMRTSA-N
+CH$LINK: CHEMSPIDER 78429176
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 101-1020
+AC$CHROMATOGRAPHY: COLUMN_NAME Acwuity UPLC HSS T3 1.8um, 3x100mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 85/15 at 0 min, 0/100 at 21 min, 0/100 at 25 min, 2/98 at 25.1 min, 2/98 at 31 min, 85/15 at 31.1 min, 85/15 at 33 min
+AC$CHROMATOGRAPHY: FLOW_RATE 300 uL/min at 0 min, 650 uL/min at 25.1 min, 300 uL/min at 31.1 min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.833 min
+MS$FOCUSED_ION: BASE_PEAK 979.5259
+MS$FOCUSED_ION: PRECURSOR_M/Z 979.5258
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0fb9-0940000000-5dadfcf3b83bbc2857b3
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  110.0248 C5H4NO2- 1 110.0248 0.12
+  111.0199 C4H3N2O2- 1 111.02 -0.8
+  111.0563 C5H7N2O- 1 111.0564 -0.74
+  112.0404 C5H6NO2- 1 112.0404 -0.34
+  113.0357 C4H5N2O2- 1 113.0357 0.42
+  113.072 C5H9N2O- 1 113.072 -0.61
+  123.0565 C6H7N2O- 1 123.0564 0.82
+  124.0402 C6H6NO2- 1 124.0404 -1.46
+  127.0513 C5H7N2O2- 1 127.0513 -0.3
+  128.0352 C5H6NO3- 1 128.0353 -0.57
+  129.1033 C6H13N2O- 1 129.1033 -0.65
+  131.0864 C10H11- 1 131.0866 -1.4
+  136.0402 C7H6NO2- 1 136.0404 -1.35
+  138.0558 C7H8NO2- 1 138.0561 -2.16
+  139.0511 C6H7N2O2- 1 139.0513 -1.12
+  139.0873 C7H11N2O- 1 139.0877 -2.62
+  141.0668 C6H9N2O2- 1 141.067 -1.39
+  153.0666 C7H9N2O2- 1 153.067 -2.4
+  153.1029 C8H13N2O- 1 153.1033 -2.96
+  154.0985 C7H12N3O- 1 154.0986 -0.61
+  155.0821 C7H11N2O2- 1 155.0826 -3.39
+  155.1176 C6H13N5- 1 155.1176 -0.5
+  156.0774 C6H10N3O2- 1 156.0779 -2.73
+  157.1343 C8H17N2O- 1 157.1346 -2.09
+  163.0876 C9H11N2O- 1 163.0877 -0.6
+  165.1028 C9H13N2O- 2 165.1033 -3.51
+  168.1134 C8H14N3O- 2 168.1142 -4.74
+  179.0451 C6H5N5O2- 1 179.0449 1.48
+  180.0767 C6H8N6O- 1 180.0765 0.8
+  180.1142 C9H14N3O- 1 180.1142 -0.02
+  181.0973 C7H11N5O- 1 181.0969 2.33
+  182.1291 C7H14N6- 2 182.1285 3
+  183.1131 C7H13N5O- 2 183.1126 2.89
+  198.1235 C7H14N6O- 1 198.1235 0.39
+  200.1394 C7H16N6O- 1 200.1391 1.6
+  206.0927 C8H10N6O- 2 206.0922 2.55
+  207.0764 C8H9N5O2- 1 207.0762 1.2
+  208.1086 C8H12N6O- 2 208.1078 3.83
+  208.1443 C9H16N6- 1 208.1442 0.64
+  210.1237 C8H14N6O- 1 210.1235 0.95
+  226.1184 C8H14N6O2- 1 226.1184 0.16
+  251.1499 C10H17N7O- 4 251.15 -0.56
+  253.1661 C11H25O6- 3 253.1657 1.76
+  269.1606 C11H25O7- 3 269.1606 0.14
+  293.161 C14H21N4O3- 4 293.1619 -2.96
+  296.1475 C11H18N7O3- 4 296.1477 -0.64
+  297.156 C12H25O8- 3 297.1555 1.87
+  311.1709 C12H21N7O3- 4 311.1711 -0.79
+  370.2498 C22H32N3O2- 5 370.25 -0.44
+PK$NUM_PEAK: 49
+PK$PEAK: m/z int. rel.int.
+  110.0248 827166.4 143
+  111.0199 405441.2 70
+  111.0563 210676.3 36
+  112.0404 253006.6 43
+  113.0357 155806.8 27
+  113.072 67445.4 11
+  123.0565 61549.1 10
+  124.0402 144754.3 25
+  127.0513 325017.8 56
+  128.0352 5747852 999
+  129.1033 711563.4 123
+  131.0864 193537 33
+  136.0402 126645.3 22
+  138.0558 71469.9 12
+  139.0511 918075.1 159
+  139.0873 291119.1 50
+  141.0668 63316.9 11
+  153.0666 151773.5 26
+  153.1029 90639.4 15
+  154.0985 65186.5 11
+  155.0821 566308.1 98
+  155.1176 94815.2 16
+  156.0774 237500.5 41
+  157.1343 87814 15
+  163.0876 125191.5 21
+  165.1028 1387287.5 241
+  168.1134 78881.5 13
+  179.0451 71515.7 12
+  180.0767 77018.6 13
+  180.1142 484293.6 84
+  181.0973 421505.4 73
+  182.1291 1148437.6 199
+  183.1131 243490.8 42
+  198.1235 404447.5 70
+  200.1394 1834934.2 318
+  206.0927 253150.6 43
+  207.0764 78947.5 13
+  208.1086 113140.9 19
+  208.1443 459758.4 79
+  210.1237 381358.7 66
+  226.1184 258880.1 44
+  251.1499 2482155 431
+  253.1661 188382.5 32
+  269.1606 1009415.3 175
+  293.161 198895.9 34
+  296.1475 376105.1 65
+  297.156 118100.6 20
+  311.1709 94456 16
+  370.2498 145946.9 25
+//
diff --git a/Eawag/MSBNK-EAWAG-ED186158.txt b/Eawag/MSBNK-EAWAG-ED186158.txt
new file mode 100644
index 0000000000..5996d0a2bb
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED186158.txt
@@ -0,0 +1,140 @@
+ACCESSION: MSBNK-EAWAG-ED186158
+RECORD_TITLE: [Dha7]MC-LR; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1861
+CH$NAME: [Dha7]MC-LR
+CH$NAME: 7-Desmethylmicrocystin-LR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-5,12,19-trimethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C48H72N10O12
+CH$EXACT_MASS: 980.5331177
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCC\N=C(/N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)NC(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C48H72N10O12/c1-25(2)22-36-45(65)58-39(47(68)69)29(6)41(61)55-34(16-13-21-51-48(49)50)44(64)54-33(18-17-26(3)23-27(4)37(70-9)24-32-14-11-10-12-15-32)28(5)40(60)56-35(46(66)67)19-20-38(59)52-30(7)42(62)53-31(8)43(63)57-36/h10-12,14-15,17-18,23,25,27-29,31,33-37,39H,7,13,16,19-22,24H2,1-6,8-9H3,(H,52,59)(H,53,62)(H,54,64)(H,55,61)(H,56,60)(H,57,63)(H,58,65)(H,66,67)(H,68,69)(H4,49,50,51)/b18-17+,26-23+/t27-,28-,29-,31+,33-,34-,35+,36-,37-,39+/m0/s1
+CH$LINK: CHEBI 210293
+CH$LINK: PUBCHEM CID:101642889
+CH$LINK: INCHIKEY WLWITBHAANNFHV-NDUWXMRTSA-N
+CH$LINK: CHEMSPIDER 78429176
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 101-1020
+AC$CHROMATOGRAPHY: COLUMN_NAME Acwuity UPLC HSS T3 1.8um, 3x100mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 85/15 at 0 min, 0/100 at 21 min, 0/100 at 25 min, 2/98 at 25.1 min, 2/98 at 31 min, 85/15 at 31.1 min, 85/15 at 33 min
+AC$CHROMATOGRAPHY: FLOW_RATE 300 uL/min at 0 min, 650 uL/min at 25.1 min, 300 uL/min at 31.1 min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.833 min
+MS$FOCUSED_ION: BASE_PEAK 979.5259
+MS$FOCUSED_ION: PRECURSOR_M/Z 979.5258
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-004i-0910000000-c674e076590861711b7f
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  109.0407 C5H5N2O- 1 109.0407 -0.01
+  110.0247 C5H4NO2- 1 110.0248 -0.09
+  111.0199 C4H3N2O2- 1 111.02 -0.59
+  111.0563 C5H7N2O- 1 111.0564 -0.81
+  112.0405 C5H6NO2- 1 112.0404 0.61
+  112.0765 C6H10NO- 1 112.0768 -2.19
+  113.0355 C4H5N2O2- 1 113.0357 -1.27
+  113.0717 C5H9N2O- 1 113.072 -3.17
+  122.0974 C8H12N- 1 122.0975 -1.35
+  124.0405 C6H6NO2- 1 124.0404 0.39
+  125.0353 C5H5N2O2- 1 125.0357 -2.46
+  125.0594 C5H7N3O- 1 125.0595 -0.61
+  127.0512 C5H7N2O2- 1 127.0513 -0.48
+  128.0352 C5H6NO3- 1 128.0353 -0.57
+  129.1032 C6H13N2O- 1 129.1033 -0.77
+  130.0872 C6H12NO2- 1 130.0874 -0.96
+  131.0864 C10H11- 1 131.0866 -1.4
+  135.0559 C7H7N2O- 1 135.0564 -3.26
+  136.1127 C9H14N- 1 136.1132 -3.28
+  137.0719 C7H9N2O- 1 137.072 -1.13
+  138.0559 C7H8NO2- 1 138.0561 -1.28
+  139.0511 C6H7N2O2- 1 139.0513 -1.12
+  139.0874 C7H11N2O- 1 139.0877 -1.74
+  151.051 C7H7N2O2- 1 151.0513 -2.29
+  151.0876 C8H11N2O- 1 151.0877 -0.43
+  153.0667 C7H9N2O2- 1 153.067 -1.7
+  153.1029 C8H13N2O- 1 153.1033 -2.76
+  155.0822 C7H11N2O2- 1 155.0826 -2.5
+  155.1182 C6H13N5- 1 155.1176 3.64
+  156.0774 C6H10N3O2- 1 156.0779 -2.73
+  157.1343 C8H17N2O- 1 157.1346 -2.28
+  163.0877 C9H11N2O- 1 163.0877 0.24
+  165.1028 C9H13N2O- 1 165.1033 -2.96
+  168.1141 C8H14N3O- 1 168.1142 -0.93
+  180.1138 C9H14N3O- 1 180.1142 -2.22
+  181.0975 C7H11N5O- 2 181.0969 3.01
+  182.1291 C7H14N6- 2 182.1285 2.91
+  198.124 C7H14N6O- 2 198.1235 2.7
+  200.1394 C7H16N6O- 1 200.1391 1.67
+  206.0929 C8H10N6O- 2 206.0922 3.74
+  207.0764 C8H9N5O2- 1 207.0762 1.27
+  208.1078 C8H12N6O- 1 208.1078 0.17
+  208.1444 C9H16N6- 1 208.1442 0.86
+  210.1238 C8H14N6O- 2 210.1235 1.53
+  226.1188 C8H14N6O2- 2 226.1184 1.71
+  251.1499 C10H17N7O- 4 251.15 -0.62
+  269.1609 C11H25O7- 3 269.1606 1.05
+  296.1475 C11H18N7O3- 4 296.1477 -0.54
+PK$NUM_PEAK: 48
+PK$PEAK: m/z int. rel.int.
+  109.0407 194664.5 51
+  110.0247 1053361.6 277
+  111.0199 566250 149
+  111.0563 273962.3 72
+  112.0405 211068.9 55
+  112.0765 116505.7 30
+  113.0355 176055.3 46
+  113.0717 120712.2 31
+  122.0974 59243.7 15
+  124.0405 111108 29
+  125.0353 59955.6 15
+  125.0594 141250.5 37
+  127.0512 270804.5 71
+  128.0352 3785818.8 999
+  129.1032 948038.8 250
+  130.0872 121332.8 32
+  131.0864 138998.3 36
+  135.0559 84813.8 22
+  136.1127 63716.6 16
+  137.0719 51083.5 13
+  138.0559 55804.6 14
+  139.0511 721421 190
+  139.0874 441719.4 116
+  151.051 53084.9 14
+  151.0876 47908.2 12
+  153.0667 123071.1 32
+  153.1029 138705.5 36
+  155.0822 438057.9 115
+  155.1182 212520.7 56
+  156.0774 175625.4 46
+  157.1343 175773.8 46
+  163.0877 106220.6 28
+  165.1028 1302293.9 343
+  168.1141 110590.5 29
+  180.1138 566537.4 149
+  181.0975 386320.3 101
+  182.1291 1752475.1 462
+  198.124 321926.6 84
+  200.1394 1168531.6 308
+  206.0929 158936.9 41
+  207.0764 60109.3 15
+  208.1078 98112.6 25
+  208.1444 376716.2 99
+  210.1238 280089.6 73
+  226.1188 120653.5 31
+  251.1499 935033.5 246
+  269.1609 148021.9 39
+  296.1475 98443.5 25
+//
diff --git a/Eawag/MSBNK-EAWAG-ED186159.txt b/Eawag/MSBNK-EAWAG-ED186159.txt
new file mode 100644
index 0000000000..d5816db9c0
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED186159.txt
@@ -0,0 +1,124 @@
+ACCESSION: MSBNK-EAWAG-ED186159
+RECORD_TITLE: [Dha7]MC-LR; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1861
+CH$NAME: [Dha7]MC-LR
+CH$NAME: 7-Desmethylmicrocystin-LR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-5,12,19-trimethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C48H72N10O12
+CH$EXACT_MASS: 980.5331177
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCC\N=C(/N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)NC(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C48H72N10O12/c1-25(2)22-36-45(65)58-39(47(68)69)29(6)41(61)55-34(16-13-21-51-48(49)50)44(64)54-33(18-17-26(3)23-27(4)37(70-9)24-32-14-11-10-12-15-32)28(5)40(60)56-35(46(66)67)19-20-38(59)52-30(7)42(62)53-31(8)43(63)57-36/h10-12,14-15,17-18,23,25,27-29,31,33-37,39H,7,13,16,19-22,24H2,1-6,8-9H3,(H,52,59)(H,53,62)(H,54,64)(H,55,61)(H,56,60)(H,57,63)(H,58,65)(H,66,67)(H,68,69)(H4,49,50,51)/b18-17+,26-23+/t27-,28-,29-,31+,33-,34-,35+,36-,37-,39+/m0/s1
+CH$LINK: CHEBI 210293
+CH$LINK: PUBCHEM CID:101642889
+CH$LINK: INCHIKEY WLWITBHAANNFHV-NDUWXMRTSA-N
+CH$LINK: CHEMSPIDER 78429176
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 101-1020
+AC$CHROMATOGRAPHY: COLUMN_NAME Acwuity UPLC HSS T3 1.8um, 3x100mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 85/15 at 0 min, 0/100 at 21 min, 0/100 at 25 min, 2/98 at 25.1 min, 2/98 at 31 min, 85/15 at 31.1 min, 85/15 at 33 min
+AC$CHROMATOGRAPHY: FLOW_RATE 300 uL/min at 0 min, 650 uL/min at 25.1 min, 300 uL/min at 31.1 min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.833 min
+MS$FOCUSED_ION: BASE_PEAK 979.5259
+MS$FOCUSED_ION: PRECURSOR_M/Z 979.5258
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0059-0900000000-519c445c2d378aad749e
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  109.0407 C5H5N2O- 1 109.0407 -0.15
+  110.0247 C5H4NO2- 1 110.0248 -0.16
+  111.0199 C4H3N2O2- 1 111.02 -1.08
+  111.0564 C5H7N2O- 1 111.0564 -0.05
+  112.0403 C5H6NO2- 1 112.0404 -0.95
+  112.0767 C6H10NO- 1 112.0768 -0.42
+  113.0354 C4H5N2O2- 1 113.0357 -2.42
+  113.072 C5H9N2O- 1 113.072 -0.67
+  122.0487 C6H6N2O- 1 122.0486 1.43
+  122.0974 C8H12N- 1 122.0975 -1.1
+  123.0329 C6H5NO2- 1 123.0326 2.79
+  124.0276 C5H4N2O2- 1 124.0278 -1.68
+  124.0405 C6H6NO2- 1 124.0404 0.7
+  125.0355 C5H5N2O2- 1 125.0357 -1.18
+  125.0595 C5H7N3O- 1 125.0595 0.67
+  127.051 C5H7N2O2- 1 127.0513 -2.22
+  128.0353 C5H6NO3- 1 128.0353 -0.45
+  129.1032 C6H13N2O- 1 129.1033 -1
+  130.0875 C6H12NO2- 1 130.0874 1.04
+  131.0867 C10H11- 1 131.0866 0.69
+  135.0562 C7H7N2O- 1 135.0564 -1.34
+  136.0404 C7H6NO2- 1 136.0404 -0.34
+  139.0512 C6H7N2O2- 1 139.0513 -0.79
+  139.0875 C7H11N2O- 1 139.0877 -1.41
+  150.0558 C8H8NO2- 1 150.0561 -1.66
+  154.0984 C7H12N3O- 1 154.0986 -1.3
+  155.0822 C7H11N2O2- 1 155.0826 -2.6
+  157.1342 C8H17N2O- 1 157.1346 -2.86
+  165.1028 C9H13N2O- 1 165.1033 -2.96
+  167.1187 C9H15N2O- 1 167.119 -1.97
+  168.1136 C8H14N3O- 2 168.1142 -3.65
+  180.1136 C9H14N3O- 2 180.1142 -3.41
+  181.0973 C7H11N5O- 1 181.0969 1.91
+  182.1291 C7H14N6- 2 182.1285 3
+  183.113 C7H13N5O- 1 183.1126 2.14
+  198.1241 C7H14N6O- 2 198.1235 3.32
+  200.1394 C7H16N6O- 1 200.1391 1.29
+  206.0927 C8H10N6O- 2 206.0922 2.77
+  208.1079 C8H12N6O- 1 208.1078 0.68
+  208.144 C9H16N6- 1 208.1442 -0.9
+PK$NUM_PEAK: 40
+PK$PEAK: m/z int. rel.int.
+  109.0407 231599.3 132
+  110.0247 802389.1 458
+  111.0199 424165.7 242
+  111.0564 239206.7 136
+  112.0403 171562.4 98
+  112.0767 109420.8 62
+  113.0354 133732.2 76
+  113.072 83274.4 47
+  122.0487 46201.9 26
+  122.0974 57674.8 32
+  123.0329 41713.1 23
+  124.0276 65683.7 37
+  124.0405 72013.2 41
+  125.0355 43466.4 24
+  125.0595 228174.4 130
+  127.051 142374 81
+  128.0353 1747740.1 999
+  129.1032 738070.5 421
+  130.0875 73323.4 41
+  131.0867 55730.7 31
+  135.0562 64327.2 36
+  136.0404 75407 43
+  139.0512 383693.8 219
+  139.0875 338097.8 193
+  150.0558 30025 17
+  154.0984 64037.7 36
+  155.0822 207087 118
+  157.1342 131384.3 75
+  165.1028 688158.3 393
+  167.1187 34604.1 19
+  168.1136 89296 51
+  180.1136 333278.2 190
+  181.0973 225440 128
+  182.1291 1080695.2 617
+  183.113 112143.7 64
+  198.1241 103797.2 59
+  200.1394 375575.7 214
+  206.0927 64910.3 37
+  208.1079 51045 29
+  208.144 150830.8 86
+//
diff --git a/Eawag/MSBNK-EAWAG-ED186901.txt b/Eawag/MSBNK-EAWAG-ED186901.txt
new file mode 100644
index 0000000000..303b9feb9d
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED186901.txt
@@ -0,0 +1,80 @@
+ACCESSION: MSBNK-EAWAG-ED186901
+RECORD_TITLE: MC-YL; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], A. Miglione [dtc], L. Tartaglione [dtc], C. Dell'Aversano [dtc], M. Simonazzi [dtc], L. Pezzolesi [dtc], F. Guerrini [dtc], R. Pistocchi [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.toxicon.2013.03.017
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1869
+CH$NAME: MC-YL
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-8-[(4-hydroxyphenyl)methyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-15-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H71N7O13
+CH$EXACT_MASS: 1001.510985
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C52H71N7O13/c1-28(2)24-40-49(66)54-38(21-16-29(3)25-30(4)42(72-10)27-35-14-12-11-13-15-35)31(5)45(62)55-39(51(68)69)22-23-43(61)59(9)34(8)48(65)53-33(7)47(64)57-41(26-36-17-19-37(60)20-18-36)50(67)58-44(52(70)71)32(6)46(63)56-40/h11-21,25,28,30-33,38-42,44,60H,8,22-24,26-27H2,1-7,9-10H3,(H,53,65)(H,54,66)(H,55,62)(H,56,63)(H,57,64)(H,58,67)(H,68,69)(H,70,71)/b21-16+,29-25+/t30-,31-,32-,33+,38-,39+,40-,41-,42-,44+/m0/s1
+CH$LINK: PUBCHEM CID:146683865
+CH$LINK: INCHIKEY ULVKNPZLIDQRTH-WSTSHCHISA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 104-1044
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.428 min
+MS$FOCUSED_ION: BASE_PEAK 132.9582
+MS$FOCUSED_ION: PRECURSOR_M/Z 1002.5183
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0udi-7000320093-d1af64f3d2c7f675400d
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  163.1116 C11H15O+ 1 163.1117 -0.71
+  297.1849 C20H25O2+ 4 297.1849 0
+  310.1387 C14H20N3O5+ 2 310.1397 -3.33
+  375.1914 C20H27N2O5+ 4 375.1914 -0.22
+  423.2239 C22H33NO7+ 5 423.2252 -2.89
+  446.2285 C23H32N3O6+ 5 446.2286 -0.14
+  477.2365 C26H31N5O4+ 4 477.2371 -1.14
+  494.2609 C23H36N5O7+ 5 494.2609 0.01
+  509.2649 C29H37N2O6+ 6 509.2646 0.5
+  560.2714 C27H38N5O8+ 7 560.2715 -0.2
+  580.3025 C33H38N7O3+ 6 580.3031 -0.9
+  688.3381 C43H42N7O2+ 7 688.3395 -2.02
+  850.4337 C43H60N7O11+ 4 850.4345 -0.92
+  851.4189 C43H59N6O12+ 4 851.4185 0.36
+  868.4452 C43H62N7O12+ 3 868.4451 0.15
+  970.4918 C51H68N7O12+ 1 970.492 -0.22
+  984.5073 C52H70N7O12+ 1 984.5077 -0.37
+  985.4927 C52H69N6O13+ 1 985.4917 0.99
+  1002.5181 C52H72N7O13+ 1 1002.5183 -0.13
+PK$NUM_PEAK: 19
+PK$PEAK: m/z int. rel.int.
+  163.1116 8513.6 10
+  297.1849 9149.4 10
+  310.1387 20309.1 24
+  375.1914 73468.2 87
+  423.2239 56405.6 67
+  446.2285 40938.2 48
+  477.2365 46553.7 55
+  494.2609 260618.9 311
+  509.2649 98032.1 117
+  560.2714 87056.3 104
+  580.3025 46439.3 55
+  688.3381 30286.4 36
+  850.4337 122324.2 146
+  851.4189 259327 310
+  868.4452 589314.5 705
+  970.4918 70800.2 84
+  984.5073 174054 208
+  985.4927 123734.7 148
+  1002.5181 834833.7 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED186902.txt b/Eawag/MSBNK-EAWAG-ED186902.txt
new file mode 100644
index 0000000000..c0bc4b325e
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED186902.txt
@@ -0,0 +1,60 @@
+ACCESSION: MSBNK-EAWAG-ED186902
+RECORD_TITLE: MC-YL; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], A. Miglione [dtc], L. Tartaglione [dtc], C. Dell'Aversano [dtc], M. Simonazzi [dtc], L. Pezzolesi [dtc], F. Guerrini [dtc], R. Pistocchi [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.toxicon.2013.03.017
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1869
+CH$NAME: MC-YL
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-8-[(4-hydroxyphenyl)methyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-15-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H71N7O13
+CH$EXACT_MASS: 1001.510985
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C52H71N7O13/c1-28(2)24-40-49(66)54-38(21-16-29(3)25-30(4)42(72-10)27-35-14-12-11-13-15-35)31(5)45(62)55-39(51(68)69)22-23-43(61)59(9)34(8)48(65)53-33(7)47(64)57-41(26-36-17-19-37(60)20-18-36)50(67)58-44(52(70)71)32(6)46(63)56-40/h11-21,25,28,30-33,38-42,44,60H,8,22-24,26-27H2,1-7,9-10H3,(H,53,65)(H,54,66)(H,55,62)(H,56,63)(H,57,64)(H,58,67)(H,68,69)(H,70,71)/b21-16+,29-25+/t30-,31-,32-,33+,38-,39+,40-,41-,42-,44+/m0/s1
+CH$LINK: PUBCHEM CID:146683865
+CH$LINK: INCHIKEY ULVKNPZLIDQRTH-WSTSHCHISA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 104-1044
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.428 min
+MS$FOCUSED_ION: BASE_PEAK 132.9582
+MS$FOCUSED_ION: PRECURSOR_M/Z 1002.5183
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03dl-0210950030-a3d215ac929d07a3b0ba
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  135.0806 C9H11O+ 1 135.0804 0.84
+  163.1118 C11H15O+ 1 163.1117 0.13
+  213.0866 C9H13N2O4+ 2 213.087 -1.59
+  446.2284 C23H32N3O6+ 5 446.2286 -0.34
+  477.237 C26H31N5O4+ 4 477.2371 -0.18
+  494.2615 C23H36N5O7+ 6 494.2609 1.19
+  509.2647 C29H37N2O6+ 5 509.2646 0.08
+  560.2719 C27H38N5O8+ 6 560.2715 0.67
+  868.4449 C43H62N7O12+ 4 868.4451 -0.28
+PK$NUM_PEAK: 9
+PK$PEAK: m/z int. rel.int.
+  135.0806 39090.4 181
+  163.1118 57066.1 264
+  213.0866 58720.3 272
+  446.2284 118572.5 550
+  477.237 90107.9 418
+  494.2615 215349.2 999
+  509.2647 66493.3 308
+  560.2719 181890.9 843
+  868.4449 143607.7 666
+//
diff --git a/Eawag/MSBNK-EAWAG-ED186903.txt b/Eawag/MSBNK-EAWAG-ED186903.txt
new file mode 100644
index 0000000000..f7da7b8aa8
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED186903.txt
@@ -0,0 +1,62 @@
+ACCESSION: MSBNK-EAWAG-ED186903
+RECORD_TITLE: MC-YL; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], A. Miglione [dtc], L. Tartaglione [dtc], C. Dell'Aversano [dtc], M. Simonazzi [dtc], L. Pezzolesi [dtc], F. Guerrini [dtc], R. Pistocchi [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.toxicon.2013.03.017
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1869
+CH$NAME: MC-YL
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-8-[(4-hydroxyphenyl)methyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-15-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H71N7O13
+CH$EXACT_MASS: 1001.510985
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C52H71N7O13/c1-28(2)24-40-49(66)54-38(21-16-29(3)25-30(4)42(72-10)27-35-14-12-11-13-15-35)31(5)45(62)55-39(51(68)69)22-23-43(61)59(9)34(8)48(65)53-33(7)47(64)57-41(26-36-17-19-37(60)20-18-36)50(67)58-44(52(70)71)32(6)46(63)56-40/h11-21,25,28,30-33,38-42,44,60H,8,22-24,26-27H2,1-7,9-10H3,(H,53,65)(H,54,66)(H,55,62)(H,56,63)(H,57,64)(H,58,67)(H,68,69)(H,70,71)/b21-16+,29-25+/t30-,31-,32-,33+,38-,39+,40-,41-,42-,44+/m0/s1
+CH$LINK: PUBCHEM CID:146683865
+CH$LINK: INCHIKEY ULVKNPZLIDQRTH-WSTSHCHISA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 104-1044
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.428 min
+MS$FOCUSED_ION: BASE_PEAK 132.9582
+MS$FOCUSED_ION: PRECURSOR_M/Z 1002.5183
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-06vi-0796300000-df5db364b2c7a78776e2
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  107.0856 C8H11+ 1 107.0855 0.84
+  135.0804 C9H11O+ 1 135.0804 0.05
+  155.0819 C7H11N2O2+ 1 155.0815 2.5
+  163.1115 C11H15O+ 1 163.1117 -1.27
+  213.0866 C9H13N2O4+ 2 213.087 -1.73
+  258.1846 C2H30N2O11+ 4 258.1844 0.9
+  265.1189 C13H17N2O4+ 3 265.1183 2.46
+  293.1121 C14H17N2O5+ 2 293.1132 -3.72
+  375.1912 C20H27N2O5+ 4 375.1914 -0.79
+  446.229 C23H32N3O6+ 5 446.2286 0.89
+PK$NUM_PEAK: 10
+PK$PEAK: m/z int. rel.int.
+  107.0856 35101.8 143
+  135.0804 99477.8 407
+  155.0819 30130.1 123
+  163.1115 112824.9 461
+  213.0866 121123.9 495
+  258.1846 58703.7 240
+  265.1189 104285.6 426
+  293.1121 51104.3 209
+  375.1912 244100.4 999
+  446.229 119013 487
+//
diff --git a/Eawag/MSBNK-EAWAG-ED186904.txt b/Eawag/MSBNK-EAWAG-ED186904.txt
new file mode 100644
index 0000000000..75864e8298
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED186904.txt
@@ -0,0 +1,68 @@
+ACCESSION: MSBNK-EAWAG-ED186904
+RECORD_TITLE: MC-YL; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], A. Miglione [dtc], L. Tartaglione [dtc], C. Dell'Aversano [dtc], M. Simonazzi [dtc], L. Pezzolesi [dtc], F. Guerrini [dtc], R. Pistocchi [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.toxicon.2013.03.017
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1869
+CH$NAME: MC-YL
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-8-[(4-hydroxyphenyl)methyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-15-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H71N7O13
+CH$EXACT_MASS: 1001.510985
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C52H71N7O13/c1-28(2)24-40-49(66)54-38(21-16-29(3)25-30(4)42(72-10)27-35-14-12-11-13-15-35)31(5)45(62)55-39(51(68)69)22-23-43(61)59(9)34(8)48(65)53-33(7)47(64)57-41(26-36-17-19-37(60)20-18-36)50(67)58-44(52(70)71)32(6)46(63)56-40/h11-21,25,28,30-33,38-42,44,60H,8,22-24,26-27H2,1-7,9-10H3,(H,53,65)(H,54,66)(H,55,62)(H,56,63)(H,57,64)(H,58,67)(H,68,69)(H,70,71)/b21-16+,29-25+/t30-,31-,32-,33+,38-,39+,40-,41-,42-,44+/m0/s1
+CH$LINK: PUBCHEM CID:146683865
+CH$LINK: INCHIKEY ULVKNPZLIDQRTH-WSTSHCHISA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 104-1044
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.428 min
+MS$FOCUSED_ION: BASE_PEAK 132.9582
+MS$FOCUSED_ION: PRECURSOR_M/Z 1002.5183
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0409-0982000000-686eb1e6aae5fa7fd7b8
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  107.0856 C8H11+ 1 107.0855 0.7
+  124.1124 C8H14N+ 1 124.1121 2.57
+  135.0803 C9H11O+ 1 135.0804 -0.85
+  135.1167 C10H15+ 1 135.1168 -1.03
+  136.0761 C8H10NO+ 1 136.0757 2.96
+  155.0815 C7H11N2O2+ 1 155.0815 -0.06
+  163.1115 C11H15O+ 1 163.1117 -1.74
+  213.0864 C9H13N2O4+ 2 213.087 -2.88
+  246.1483 C15H20NO2+ 4 246.1489 -2.2
+  265.1184 C13H17N2O4+ 2 265.1183 0.27
+  268.1655 C13H22N3O3+ 2 268.1656 -0.19
+  293.1127 C14H17N2O5+ 3 293.1132 -1.74
+  375.191 C20H27N2O5+ 4 375.1914 -1.11
+PK$NUM_PEAK: 13
+PK$PEAK: m/z int. rel.int.
+  107.0856 68415.3 329
+  124.1124 19033.3 91
+  135.0803 207344.6 999
+  135.1167 69882.6 336
+  136.0761 30128.1 145
+  155.0815 81058.7 390
+  163.1115 144273.5 695
+  213.0864 196585.8 947
+  246.1483 56036.5 269
+  265.1184 154285.9 743
+  268.1655 57972.5 279
+  293.1127 93552.4 450
+  375.191 178447.5 859
+//
diff --git a/Eawag/MSBNK-EAWAG-ED186905.txt b/Eawag/MSBNK-EAWAG-ED186905.txt
new file mode 100644
index 0000000000..c4586ab5b8
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED186905.txt
@@ -0,0 +1,64 @@
+ACCESSION: MSBNK-EAWAG-ED186905
+RECORD_TITLE: MC-YL; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], A. Miglione [dtc], L. Tartaglione [dtc], C. Dell'Aversano [dtc], M. Simonazzi [dtc], L. Pezzolesi [dtc], F. Guerrini [dtc], R. Pistocchi [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.toxicon.2013.03.017
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1869
+CH$NAME: MC-YL
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-8-[(4-hydroxyphenyl)methyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-15-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H71N7O13
+CH$EXACT_MASS: 1001.510985
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C52H71N7O13/c1-28(2)24-40-49(66)54-38(21-16-29(3)25-30(4)42(72-10)27-35-14-12-11-13-15-35)31(5)45(62)55-39(51(68)69)22-23-43(61)59(9)34(8)48(65)53-33(7)47(64)57-41(26-36-17-19-37(60)20-18-36)50(67)58-44(52(70)71)32(6)46(63)56-40/h11-21,25,28,30-33,38-42,44,60H,8,22-24,26-27H2,1-7,9-10H3,(H,53,65)(H,54,66)(H,55,62)(H,56,63)(H,57,64)(H,58,67)(H,68,69)(H,70,71)/b21-16+,29-25+/t30-,31-,32-,33+,38-,39+,40-,41-,42-,44+/m0/s1
+CH$LINK: PUBCHEM CID:146683865
+CH$LINK: INCHIKEY ULVKNPZLIDQRTH-WSTSHCHISA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 104-1044
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.428 min
+MS$FOCUSED_ION: BASE_PEAK 132.9582
+MS$FOCUSED_ION: PRECURSOR_M/Z 1002.5183
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-06ri-0940000000-a2e34de646c808be929d
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  107.0855 C8H11+ 1 107.0855 -0.08
+  127.0865 C6H11N2O+ 1 127.0866 -0.69
+  135.0804 C9H11O+ 1 135.0804 -0.4
+  135.1167 C10H15+ 1 135.1168 -0.92
+  136.0756 C8H10NO+ 1 136.0757 -0.63
+  155.0813 C7H11N2O2+ 1 155.0815 -1.53
+  163.1113 C11H15O+ 1 163.1117 -2.49
+  213.0865 C9H13N2O4+ 2 213.087 -2.31
+  246.1486 C15H20NO2+ 4 246.1489 -0.84
+  265.1181 C13H17N2O4+ 2 265.1183 -0.76
+  293.1132 C14H17N2O5+ 4 293.1132 0.13
+PK$NUM_PEAK: 11
+PK$PEAK: m/z int. rel.int.
+  107.0855 170392.1 736
+  127.0865 127421.7 550
+  135.0804 223926.1 968
+  135.1167 133490.2 577
+  136.0756 119046.8 514
+  155.0813 113416.4 490
+  163.1113 129033.9 557
+  213.0865 231027.6 999
+  246.1486 26766.6 115
+  265.1181 178312.8 771
+  293.1132 28195.5 121
+//
diff --git a/Eawag/MSBNK-EAWAG-ED186906.txt b/Eawag/MSBNK-EAWAG-ED186906.txt
new file mode 100644
index 0000000000..652aadbb84
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED186906.txt
@@ -0,0 +1,66 @@
+ACCESSION: MSBNK-EAWAG-ED186906
+RECORD_TITLE: MC-YL; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], A. Miglione [dtc], L. Tartaglione [dtc], C. Dell'Aversano [dtc], M. Simonazzi [dtc], L. Pezzolesi [dtc], F. Guerrini [dtc], R. Pistocchi [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.toxicon.2013.03.017
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1869
+CH$NAME: MC-YL
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-8-[(4-hydroxyphenyl)methyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-15-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H71N7O13
+CH$EXACT_MASS: 1001.510985
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C52H71N7O13/c1-28(2)24-40-49(66)54-38(21-16-29(3)25-30(4)42(72-10)27-35-14-12-11-13-15-35)31(5)45(62)55-39(51(68)69)22-23-43(61)59(9)34(8)48(65)53-33(7)47(64)57-41(26-36-17-19-37(60)20-18-36)50(67)58-44(52(70)71)32(6)46(63)56-40/h11-21,25,28,30-33,38-42,44,60H,8,22-24,26-27H2,1-7,9-10H3,(H,53,65)(H,54,66)(H,55,62)(H,56,63)(H,57,64)(H,58,67)(H,68,69)(H,70,71)/b21-16+,29-25+/t30-,31-,32-,33+,38-,39+,40-,41-,42-,44+/m0/s1
+CH$LINK: PUBCHEM CID:146683865
+CH$LINK: INCHIKEY ULVKNPZLIDQRTH-WSTSHCHISA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 104-1044
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.428 min
+MS$FOCUSED_ION: BASE_PEAK 132.9582
+MS$FOCUSED_ION: PRECURSOR_M/Z 1002.5183
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-052r-0900000000-f1d351eb421417295010
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  105.0701 C8H9+ 1 105.0699 2.1
+  107.0855 C8H11+ 1 107.0855 0.06
+  127.0865 C6H11N2O+ 1 127.0866 -0.93
+  135.0804 C9H11O+ 1 135.0804 -0.29
+  135.1167 C10H15+ 1 135.1168 -1.15
+  136.0756 C8H10NO+ 1 136.0757 -0.97
+  138.055 C7H8NO2+ 1 138.055 0.49
+  155.0814 C7H11N2O2+ 1 155.0815 -0.84
+  163.1117 C11H15O+ 1 163.1117 -0.06
+  167.0815 C8H11N2O2+ 1 167.0815 0.05
+  195.0755 C9H11N2O3+ 2 195.0764 -4.47
+  213.0864 C9H13N2O4+ 2 213.087 -2.66
+PK$NUM_PEAK: 12
+PK$PEAK: m/z int. rel.int.
+  105.0701 65507.6 291
+  107.0855 224688.2 999
+  127.0865 196186.7 872
+  135.0804 197699.4 879
+  135.1167 153492.6 682
+  136.0756 181175.2 805
+  138.055 35741.7 158
+  155.0814 103202.9 458
+  163.1117 79196.2 352
+  167.0815 53904.3 239
+  195.0755 37519.4 166
+  213.0864 134167.3 596
+//
diff --git a/Eawag/MSBNK-EAWAG-ED186907.txt b/Eawag/MSBNK-EAWAG-ED186907.txt
new file mode 100644
index 0000000000..c5887b97a4
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED186907.txt
@@ -0,0 +1,58 @@
+ACCESSION: MSBNK-EAWAG-ED186907
+RECORD_TITLE: MC-YL; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], A. Miglione [dtc], L. Tartaglione [dtc], C. Dell'Aversano [dtc], M. Simonazzi [dtc], L. Pezzolesi [dtc], F. Guerrini [dtc], R. Pistocchi [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.toxicon.2013.03.017
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1869
+CH$NAME: MC-YL
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-8-[(4-hydroxyphenyl)methyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-15-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H71N7O13
+CH$EXACT_MASS: 1001.510985
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C52H71N7O13/c1-28(2)24-40-49(66)54-38(21-16-29(3)25-30(4)42(72-10)27-35-14-12-11-13-15-35)31(5)45(62)55-39(51(68)69)22-23-43(61)59(9)34(8)48(65)53-33(7)47(64)57-41(26-36-17-19-37(60)20-18-36)50(67)58-44(52(70)71)32(6)46(63)56-40/h11-21,25,28,30-33,38-42,44,60H,8,22-24,26-27H2,1-7,9-10H3,(H,53,65)(H,54,66)(H,55,62)(H,56,63)(H,57,64)(H,58,67)(H,68,69)(H,70,71)/b21-16+,29-25+/t30-,31-,32-,33+,38-,39+,40-,41-,42-,44+/m0/s1
+CH$LINK: PUBCHEM CID:146683865
+CH$LINK: INCHIKEY ULVKNPZLIDQRTH-WSTSHCHISA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 104-1044
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.428 min
+MS$FOCUSED_ION: BASE_PEAK 132.9582
+MS$FOCUSED_ION: PRECURSOR_M/Z 1002.5183
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0550-0900000000-5f97d8bd376060bfc0c0
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  105.0698 C8H9+ 1 105.0699 -0.45
+  107.0855 C8H11+ 1 107.0855 0.13
+  127.0865 C6H11N2O+ 1 127.0866 -0.39
+  135.0804 C9H11O+ 1 135.0804 -0.52
+  135.1165 C10H15+ 1 135.1168 -2.27
+  136.0756 C8H10NO+ 1 136.0757 -0.85
+  155.0814 C7H11N2O2+ 1 155.0815 -0.65
+  163.1118 C11H15O+ 1 163.1117 0.6
+PK$NUM_PEAK: 8
+PK$PEAK: m/z int. rel.int.
+  105.0698 102396.4 411
+  107.0855 248640 999
+  127.0865 228349 917
+  135.0804 142765 573
+  135.1165 111202.2 446
+  136.0756 161747.1 649
+  155.0814 53501.5 214
+  163.1118 28598.3 114
+//
diff --git a/Eawag/MSBNK-EAWAG-ED186908.txt b/Eawag/MSBNK-EAWAG-ED186908.txt
new file mode 100644
index 0000000000..f0ce5e591e
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED186908.txt
@@ -0,0 +1,58 @@
+ACCESSION: MSBNK-EAWAG-ED186908
+RECORD_TITLE: MC-YL; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], A. Miglione [dtc], L. Tartaglione [dtc], C. Dell'Aversano [dtc], M. Simonazzi [dtc], L. Pezzolesi [dtc], F. Guerrini [dtc], R. Pistocchi [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.toxicon.2013.03.017
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1869
+CH$NAME: MC-YL
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-8-[(4-hydroxyphenyl)methyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-15-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H71N7O13
+CH$EXACT_MASS: 1001.510985
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C52H71N7O13/c1-28(2)24-40-49(66)54-38(21-16-29(3)25-30(4)42(72-10)27-35-14-12-11-13-15-35)31(5)45(62)55-39(51(68)69)22-23-43(61)59(9)34(8)48(65)53-33(7)47(64)57-41(26-36-17-19-37(60)20-18-36)50(67)58-44(52(70)71)32(6)46(63)56-40/h11-21,25,28,30-33,38-42,44,60H,8,22-24,26-27H2,1-7,9-10H3,(H,53,65)(H,54,66)(H,55,62)(H,56,63)(H,57,64)(H,58,67)(H,68,69)(H,70,71)/b21-16+,29-25+/t30-,31-,32-,33+,38-,39+,40-,41-,42-,44+/m0/s1
+CH$LINK: PUBCHEM CID:146683865
+CH$LINK: INCHIKEY ULVKNPZLIDQRTH-WSTSHCHISA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 104-1044
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.428 min
+MS$FOCUSED_ION: BASE_PEAK 132.9582
+MS$FOCUSED_ION: PRECURSOR_M/Z 1002.5183
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0a70-0900000000-6ce688632faa99e43c04
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  105.0699 C8H9+ 1 105.0699 0.28
+  107.0854 C8H11+ 1 107.0855 -0.72
+  117.0697 C9H9+ 1 117.0699 -1.12
+  119.0491 C8H7O+ 1 119.0491 -0.71
+  127.0865 C6H11N2O+ 1 127.0866 -0.63
+  135.0802 C9H11O+ 1 135.0804 -1.53
+  135.1164 C10H15+ 1 135.1168 -2.95
+  136.0755 C8H10NO+ 1 136.0757 -1.19
+PK$NUM_PEAK: 8
+PK$PEAK: m/z int. rel.int.
+  105.0699 115218.5 456
+  107.0854 252071.4 999
+  117.0697 49729.6 197
+  119.0491 26745.6 105
+  127.0865 200101.3 793
+  135.0802 69225.1 274
+  135.1164 61918.4 245
+  136.0755 151705.1 601
+//
diff --git a/Eawag/MSBNK-EAWAG-ED186909.txt b/Eawag/MSBNK-EAWAG-ED186909.txt
new file mode 100644
index 0000000000..330f760695
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED186909.txt
@@ -0,0 +1,54 @@
+ACCESSION: MSBNK-EAWAG-ED186909
+RECORD_TITLE: MC-YL; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], A. Miglione [dtc], L. Tartaglione [dtc], C. Dell'Aversano [dtc], M. Simonazzi [dtc], L. Pezzolesi [dtc], F. Guerrini [dtc], R. Pistocchi [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.toxicon.2013.03.017
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1869
+CH$NAME: MC-YL
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-8-[(4-hydroxyphenyl)methyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-15-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H71N7O13
+CH$EXACT_MASS: 1001.510985
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C52H71N7O13/c1-28(2)24-40-49(66)54-38(21-16-29(3)25-30(4)42(72-10)27-35-14-12-11-13-15-35)31(5)45(62)55-39(51(68)69)22-23-43(61)59(9)34(8)48(65)53-33(7)47(64)57-41(26-36-17-19-37(60)20-18-36)50(67)58-44(52(70)71)32(6)46(63)56-40/h11-21,25,28,30-33,38-42,44,60H,8,22-24,26-27H2,1-7,9-10H3,(H,53,65)(H,54,66)(H,55,62)(H,56,63)(H,57,64)(H,58,67)(H,68,69)(H,70,71)/b21-16+,29-25+/t30-,31-,32-,33+,38-,39+,40-,41-,42-,44+/m0/s1
+CH$LINK: PUBCHEM CID:146683865
+CH$LINK: INCHIKEY ULVKNPZLIDQRTH-WSTSHCHISA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 104-1044
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.428 min
+MS$FOCUSED_ION: BASE_PEAK 132.9582
+MS$FOCUSED_ION: PRECURSOR_M/Z 1002.5183
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0a4i-0900000000-97d5d569a02bc617a9a6
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  105.07 C8H9+ 1 105.0699 1.44
+  107.0855 C8H11+ 1 107.0855 -0.08
+  119.0493 C8H7O+ 1 119.0491 1.4
+  127.0865 C6H11N2O+ 1 127.0866 -0.45
+  135.0808 C9H11O+ 1 135.0804 2.65
+  136.0755 C8H10NO+ 1 136.0757 -1.41
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  105.07 130411.5 713
+  107.0855 182594.6 999
+  119.0493 29085.4 159
+  127.0865 151415.2 828
+  135.0808 34576.6 189
+  136.0755 70664.7 386
+//
diff --git a/Eawag/MSBNK-EAWAG-ED186951.txt b/Eawag/MSBNK-EAWAG-ED186951.txt
new file mode 100644
index 0000000000..ecb92377ac
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED186951.txt
@@ -0,0 +1,46 @@
+ACCESSION: MSBNK-EAWAG-ED186951
+RECORD_TITLE: MC-YL; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], A. Miglione [dtc], L. Tartaglione [dtc], C. Dell'Aversano [dtc], M. Simonazzi [dtc], L. Pezzolesi [dtc], F. Guerrini [dtc], R. Pistocchi [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.toxicon.2013.03.017
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1869
+CH$NAME: MC-YL
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-8-[(4-hydroxyphenyl)methyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-15-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H71N7O13
+CH$EXACT_MASS: 1001.510985
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C52H71N7O13/c1-28(2)24-40-49(66)54-38(21-16-29(3)25-30(4)42(72-10)27-35-14-12-11-13-15-35)31(5)45(62)55-39(51(68)69)22-23-43(61)59(9)34(8)48(65)53-33(7)47(64)57-41(26-36-17-19-37(60)20-18-36)50(67)58-44(52(70)71)32(6)46(63)56-40/h11-21,25,28,30-33,38-42,44,60H,8,22-24,26-27H2,1-7,9-10H3,(H,53,65)(H,54,66)(H,55,62)(H,56,63)(H,57,64)(H,58,67)(H,68,69)(H,70,71)/b21-16+,29-25+/t30-,31-,32-,33+,38-,39+,40-,41-,42-,44+/m0/s1
+CH$LINK: PUBCHEM CID:146683865
+CH$LINK: INCHIKEY ULVKNPZLIDQRTH-WSTSHCHISA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 104-1042
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.415 min
+MS$FOCUSED_ION: BASE_PEAK 146.9382
+MS$FOCUSED_ION: PRECURSOR_M/Z 1000.5037
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0udi-9000000000-faa03c078aff9986a1a8
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  982.4932 C52H68N7O12- 1 982.4931 0.04
+  1000.5039 C52H70N7O13- 1 1000.5037 0.22
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  982.4932 157967.1 22
+  1000.5039 6902345.5 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED186952.txt b/Eawag/MSBNK-EAWAG-ED186952.txt
new file mode 100644
index 0000000000..8fd7d5125d
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED186952.txt
@@ -0,0 +1,48 @@
+ACCESSION: MSBNK-EAWAG-ED186952
+RECORD_TITLE: MC-YL; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], A. Miglione [dtc], L. Tartaglione [dtc], C. Dell'Aversano [dtc], M. Simonazzi [dtc], L. Pezzolesi [dtc], F. Guerrini [dtc], R. Pistocchi [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.toxicon.2013.03.017
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1869
+CH$NAME: MC-YL
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-8-[(4-hydroxyphenyl)methyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-15-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H71N7O13
+CH$EXACT_MASS: 1001.510985
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C52H71N7O13/c1-28(2)24-40-49(66)54-38(21-16-29(3)25-30(4)42(72-10)27-35-14-12-11-13-15-35)31(5)45(62)55-39(51(68)69)22-23-43(61)59(9)34(8)48(65)53-33(7)47(64)57-41(26-36-17-19-37(60)20-18-36)50(67)58-44(52(70)71)32(6)46(63)56-40/h11-21,25,28,30-33,38-42,44,60H,8,22-24,26-27H2,1-7,9-10H3,(H,53,65)(H,54,66)(H,55,62)(H,56,63)(H,57,64)(H,58,67)(H,68,69)(H,70,71)/b21-16+,29-25+/t30-,31-,32-,33+,38-,39+,40-,41-,42-,44+/m0/s1
+CH$LINK: PUBCHEM CID:146683865
+CH$LINK: INCHIKEY ULVKNPZLIDQRTH-WSTSHCHISA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 104-1042
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.415 min
+MS$FOCUSED_ION: BASE_PEAK 146.9382
+MS$FOCUSED_ION: PRECURSOR_M/Z 1000.5037
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0udi-9000000001-cc00e617d90be6c9082d
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  109.1673 H21N4O2- 1 109.167 2.6
+  982.4924 C52H68N7O12- 1 982.4931 -0.77
+  1000.503 C52H70N7O13- 1 1000.5037 -0.75
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  109.1673 58879.7 10
+  982.4924 1153188.4 213
+  1000.503 5388747.5 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED186953.txt b/Eawag/MSBNK-EAWAG-ED186953.txt
new file mode 100644
index 0000000000..25a43c0ff5
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED186953.txt
@@ -0,0 +1,48 @@
+ACCESSION: MSBNK-EAWAG-ED186953
+RECORD_TITLE: MC-YL; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], A. Miglione [dtc], L. Tartaglione [dtc], C. Dell'Aversano [dtc], M. Simonazzi [dtc], L. Pezzolesi [dtc], F. Guerrini [dtc], R. Pistocchi [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.toxicon.2013.03.017
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1869
+CH$NAME: MC-YL
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-8-[(4-hydroxyphenyl)methyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-15-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H71N7O13
+CH$EXACT_MASS: 1001.510985
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C52H71N7O13/c1-28(2)24-40-49(66)54-38(21-16-29(3)25-30(4)42(72-10)27-35-14-12-11-13-15-35)31(5)45(62)55-39(51(68)69)22-23-43(61)59(9)34(8)48(65)53-33(7)47(64)57-41(26-36-17-19-37(60)20-18-36)50(67)58-44(52(70)71)32(6)46(63)56-40/h11-21,25,28,30-33,38-42,44,60H,8,22-24,26-27H2,1-7,9-10H3,(H,53,65)(H,54,66)(H,55,62)(H,56,63)(H,57,64)(H,58,67)(H,68,69)(H,70,71)/b21-16+,29-25+/t30-,31-,32-,33+,38-,39+,40-,41-,42-,44+/m0/s1
+CH$LINK: PUBCHEM CID:146683865
+CH$LINK: INCHIKEY ULVKNPZLIDQRTH-WSTSHCHISA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 104-1042
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.415 min
+MS$FOCUSED_ION: BASE_PEAK 146.9382
+MS$FOCUSED_ION: PRECURSOR_M/Z 1000.5037
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0f89-6000000009-f5da70c0605ede952f15
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  109.1673 H21N4O2- 1 109.167 2.88
+  982.4926 C52H68N7O12- 1 982.4931 -0.58
+  1000.5035 C52H70N7O13- 1 1000.5037 -0.2
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  109.1673 170151.4 50
+  982.4926 3377086.5 999
+  1000.5035 2530647.8 748
+//
diff --git a/Eawag/MSBNK-EAWAG-ED186954.txt b/Eawag/MSBNK-EAWAG-ED186954.txt
new file mode 100644
index 0000000000..9e55ad1b2d
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED186954.txt
@@ -0,0 +1,52 @@
+ACCESSION: MSBNK-EAWAG-ED186954
+RECORD_TITLE: MC-YL; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], A. Miglione [dtc], L. Tartaglione [dtc], C. Dell'Aversano [dtc], M. Simonazzi [dtc], L. Pezzolesi [dtc], F. Guerrini [dtc], R. Pistocchi [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.toxicon.2013.03.017
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1869
+CH$NAME: MC-YL
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-8-[(4-hydroxyphenyl)methyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-15-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H71N7O13
+CH$EXACT_MASS: 1001.510985
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C52H71N7O13/c1-28(2)24-40-49(66)54-38(21-16-29(3)25-30(4)42(72-10)27-35-14-12-11-13-15-35)31(5)45(62)55-39(51(68)69)22-23-43(61)59(9)34(8)48(65)53-33(7)47(64)57-41(26-36-17-19-37(60)20-18-36)50(67)58-44(52(70)71)32(6)46(63)56-40/h11-21,25,28,30-33,38-42,44,60H,8,22-24,26-27H2,1-7,9-10H3,(H,53,65)(H,54,66)(H,55,62)(H,56,63)(H,57,64)(H,58,67)(H,68,69)(H,70,71)/b21-16+,29-25+/t30-,31-,32-,33+,38-,39+,40-,41-,42-,44+/m0/s1
+CH$LINK: PUBCHEM CID:146683865
+CH$LINK: INCHIKEY ULVKNPZLIDQRTH-WSTSHCHISA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 104-1042
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.415 min
+MS$FOCUSED_ION: BASE_PEAK 146.9382
+MS$FOCUSED_ION: PRECURSOR_M/Z 1000.5037
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-001i-1100000009-921770067166203891b1
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  109.1672 H21N4O2- 1 109.167 2.04
+  128.0351 C5H6NO3- 1 128.0353 -1.58
+  283.1774 C13H23N4O3- 3 283.1776 -0.44
+  982.4926 C52H68N7O12- 1 982.4931 -0.58
+  1000.5041 C52H70N7O13- 1 1000.5037 0.41
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  109.1672 140917.7 50
+  128.0351 387840.8 139
+  283.1774 128366.2 46
+  982.4926 2782498.5 999
+  1000.5041 423571 152
+//
diff --git a/Eawag/MSBNK-EAWAG-ED186955.txt b/Eawag/MSBNK-EAWAG-ED186955.txt
new file mode 100644
index 0000000000..920c626837
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED186955.txt
@@ -0,0 +1,74 @@
+ACCESSION: MSBNK-EAWAG-ED186955
+RECORD_TITLE: MC-YL; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], A. Miglione [dtc], L. Tartaglione [dtc], C. Dell'Aversano [dtc], M. Simonazzi [dtc], L. Pezzolesi [dtc], F. Guerrini [dtc], R. Pistocchi [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.toxicon.2013.03.017
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1869
+CH$NAME: MC-YL
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-8-[(4-hydroxyphenyl)methyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-15-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H71N7O13
+CH$EXACT_MASS: 1001.510985
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C52H71N7O13/c1-28(2)24-40-49(66)54-38(21-16-29(3)25-30(4)42(72-10)27-35-14-12-11-13-15-35)31(5)45(62)55-39(51(68)69)22-23-43(61)59(9)34(8)48(65)53-33(7)47(64)57-41(26-36-17-19-37(60)20-18-36)50(67)58-44(52(70)71)32(6)46(63)56-40/h11-21,25,28,30-33,38-42,44,60H,8,22-24,26-27H2,1-7,9-10H3,(H,53,65)(H,54,66)(H,55,62)(H,56,63)(H,57,64)(H,58,67)(H,68,69)(H,70,71)/b21-16+,29-25+/t30-,31-,32-,33+,38-,39+,40-,41-,42-,44+/m0/s1
+CH$LINK: PUBCHEM CID:146683865
+CH$LINK: INCHIKEY ULVKNPZLIDQRTH-WSTSHCHISA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 104-1042
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.415 min
+MS$FOCUSED_ION: BASE_PEAK 146.9382
+MS$FOCUSED_ION: PRECURSOR_M/Z 1000.5037
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-004i-0940000000-d78086251a41be5037f0
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  110.0248 C5H4NO2- 1 110.0248 0.22
+  112.0404 C5H6NO2- 1 112.0404 0.39
+  119.0501 C8H7O- 1 119.0502 -0.83
+  124.0402 C6H6NO2- 1 124.0404 -1.68
+  127.0512 C5H7N2O2- 1 127.0513 -0.61
+  128.0351 C5H6NO3- 1 128.0353 -1.34
+  129.1033 C6H13N2O- 1 129.1033 -0.32
+  131.0865 C10H11- 1 131.0866 -1.23
+  139.0874 C7H11N2O- 1 139.0877 -2.21
+  153.0663 C7H9N2O2- 2 153.067 -4.35
+  155.0823 C7H11N2O2- 1 155.0826 -2.04
+  162.0555 C9H8NO2- 2 162.0561 -3.45
+  182.129 C7H14N6- 1 182.1285 2.31
+  200.1396 C7H16N6O- 2 200.1391 2.37
+  265.1663 C12H25O6- 4 265.1657 2.57
+  283.1771 C13H23N4O3- 3 283.1776 -1.63
+PK$NUM_PEAK: 16
+PK$PEAK: m/z int. rel.int.
+  110.0248 132787.2 178
+  112.0404 28443.6 38
+  119.0501 41531 55
+  124.0402 90275.3 121
+  127.0512 39926.1 53
+  128.0351 743702.1 999
+  129.1033 50154.9 67
+  131.0865 11205.9 15
+  139.0874 26930.5 36
+  153.0663 80657.1 108
+  155.0823 33397.1 44
+  162.0555 53312.4 71
+  182.129 40283.9 54
+  200.1396 116905.6 157
+  265.1663 309364 415
+  283.1771 271079.2 364
+//
diff --git a/Eawag/MSBNK-EAWAG-ED186956.txt b/Eawag/MSBNK-EAWAG-ED186956.txt
new file mode 100644
index 0000000000..024458ed2c
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED186956.txt
@@ -0,0 +1,72 @@
+ACCESSION: MSBNK-EAWAG-ED186956
+RECORD_TITLE: MC-YL; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], A. Miglione [dtc], L. Tartaglione [dtc], C. Dell'Aversano [dtc], M. Simonazzi [dtc], L. Pezzolesi [dtc], F. Guerrini [dtc], R. Pistocchi [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.toxicon.2013.03.017
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1869
+CH$NAME: MC-YL
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-8-[(4-hydroxyphenyl)methyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-15-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H71N7O13
+CH$EXACT_MASS: 1001.510985
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C52H71N7O13/c1-28(2)24-40-49(66)54-38(21-16-29(3)25-30(4)42(72-10)27-35-14-12-11-13-15-35)31(5)45(62)55-39(51(68)69)22-23-43(61)59(9)34(8)48(65)53-33(7)47(64)57-41(26-36-17-19-37(60)20-18-36)50(67)58-44(52(70)71)32(6)46(63)56-40/h11-21,25,28,30-33,38-42,44,60H,8,22-24,26-27H2,1-7,9-10H3,(H,53,65)(H,54,66)(H,55,62)(H,56,63)(H,57,64)(H,58,67)(H,68,69)(H,70,71)/b21-16+,29-25+/t30-,31-,32-,33+,38-,39+,40-,41-,42-,44+/m0/s1
+CH$LINK: PUBCHEM CID:146683865
+CH$LINK: INCHIKEY ULVKNPZLIDQRTH-WSTSHCHISA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 104-1042
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.415 min
+MS$FOCUSED_ION: BASE_PEAK 146.9382
+MS$FOCUSED_ION: PRECURSOR_M/Z 1000.5037
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00or-0920000000-072d50c76216a9f6f1de
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  110.0247 C5H4NO2- 1 110.0248 -0.54
+  112.0402 C5H6NO2- 1 112.0404 -1.93
+  119.0502 C8H7O- 1 119.0502 -0.25
+  123.0564 C6H7N2O- 1 123.0564 0.42
+  124.0401 C6H6NO2- 1 124.0404 -2.73
+  127.0514 C5H7N2O2- 1 127.0513 0.53
+  128.0351 C5H6NO3- 1 128.0353 -1.82
+  129.1032 C6H13N2O- 1 129.1033 -1.26
+  131.0864 C10H11- 1 131.0866 -1.82
+  139.0873 C7H11N2O- 1 139.0877 -2.54
+  153.0666 C7H9N2O2- 1 153.067 -2.35
+  165.1029 C9H13N2O- 1 165.1033 -2.53
+  182.1291 C7H14N6- 2 182.1285 2.89
+  200.1398 C7H16N6O- 2 200.1391 3.36
+  265.1666 C12H25O6- 4 265.1657 3.38
+PK$NUM_PEAK: 15
+PK$PEAK: m/z int. rel.int.
+  110.0247 117803.5 259
+  112.0402 16213.6 35
+  119.0502 57482.8 126
+  123.0564 24360 53
+  124.0401 79946.5 176
+  127.0514 23837.6 52
+  128.0351 453306.5 999
+  129.1032 82135.4 181
+  131.0864 19191.1 42
+  139.0873 45433.8 100
+  153.0666 72899.1 160
+  165.1029 107044.8 235
+  182.1291 90709.2 199
+  200.1398 97355.7 214
+  265.1666 222860.6 491
+//
diff --git a/Eawag/MSBNK-EAWAG-ED186957.txt b/Eawag/MSBNK-EAWAG-ED186957.txt
new file mode 100644
index 0000000000..7e62f8753e
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED186957.txt
@@ -0,0 +1,72 @@
+ACCESSION: MSBNK-EAWAG-ED186957
+RECORD_TITLE: MC-YL; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com], A. Miglione [dtc], L. Tartaglione [dtc], C. Dell'Aversano [dtc], M. Simonazzi [dtc], L. Pezzolesi [dtc], F. Guerrini [dtc], R. Pistocchi [dtc]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.toxicon.2013.03.017
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1869
+CH$NAME: MC-YL
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-8-[(4-hydroxyphenyl)methyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-15-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H71N7O13
+CH$EXACT_MASS: 1001.510985
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C52H71N7O13/c1-28(2)24-40-49(66)54-38(21-16-29(3)25-30(4)42(72-10)27-35-14-12-11-13-15-35)31(5)45(62)55-39(51(68)69)22-23-43(61)59(9)34(8)48(65)53-33(7)47(64)57-41(26-36-17-19-37(60)20-18-36)50(67)58-44(52(70)71)32(6)46(63)56-40/h11-21,25,28,30-33,38-42,44,60H,8,22-24,26-27H2,1-7,9-10H3,(H,53,65)(H,54,66)(H,55,62)(H,56,63)(H,57,64)(H,58,67)(H,68,69)(H,70,71)/b21-16+,29-25+/t30-,31-,32-,33+,38-,39+,40-,41-,42-,44+/m0/s1
+CH$LINK: PUBCHEM CID:146683865
+CH$LINK: INCHIKEY ULVKNPZLIDQRTH-WSTSHCHISA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 104-1042
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.415 min
+MS$FOCUSED_ION: BASE_PEAK 146.9382
+MS$FOCUSED_ION: PRECURSOR_M/Z 1000.5037
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00pi-0900000000-a07ff45c9b51ff442342
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  110.0247 C5H4NO2- 1 110.0248 -0.19
+  119.0501 C8H7O- 1 119.0502 -0.76
+  123.0565 C6H7N2O- 1 123.0564 0.67
+  124.0401 C6H6NO2- 1 124.0404 -2.24
+  128.0351 C5H6NO3- 1 128.0353 -1.46
+  129.1032 C6H13N2O- 1 129.1033 -1.26
+  139.0873 C7H11N2O- 1 139.0877 -2.98
+  150.056 C8H8NO2- 1 150.0561 -0.51
+  155.0824 C7H11N2O2- 1 155.0826 -1.16
+  162.0555 C9H8NO2- 2 162.0561 -3.64
+  165.1026 C9H13N2O- 2 165.1033 -4.19
+  180.1136 C9H14N3O- 2 180.1142 -3.63
+  182.129 C7H14N6- 1 182.1285 2.31
+  200.1394 C7H16N6O- 1 200.1391 1.53
+  265.1664 C12H25O6- 4 265.1657 2.8
+PK$NUM_PEAK: 15
+PK$PEAK: m/z int. rel.int.
+  110.0247 112858.2 419
+  119.0501 73478.2 272
+  123.0565 22902.8 85
+  124.0401 84187.4 312
+  128.0351 268994.3 999
+  129.1032 100644.6 373
+  139.0873 58198.2 216
+  150.056 13305.5 49
+  155.0824 28231.2 104
+  162.0555 26881.4 99
+  165.1026 85212.9 316
+  180.1136 64580.1 239
+  182.129 131226.8 487
+  200.1394 54617 202
+  265.1664 59451.3 220
+//
diff --git a/Eawag/MSBNK-EAWAG-ED187701.txt b/Eawag/MSBNK-EAWAG-ED187701.txt
new file mode 100644
index 0000000000..2ee5b0ea9e
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED187701.txt
@@ -0,0 +1,45 @@
+ACCESSION: MSBNK-EAWAG-ED187701
+RECORD_TITLE: [D-MeO-Glu6]MC-LR; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: http://dx.doi.org/10.1016/j.toxicon.2013.03.016
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1877
+CH$NAME: [D-MeO-Glu6]MC-LR
+CH$NAME: [D-Glu(OMe)6]MC-LR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-22-methoxycarbonyl-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11-carboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C50H76N10O12
+CH$EXACT_MASS: 1008.564418
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)OC)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C50H76N10O12/c1-27(2)24-38-47(67)59-41(48(68)69)31(6)43(63)56-36(18-15-23-53-50(51)52)46(66)55-35(20-19-28(3)25-29(4)39(71-10)26-34-16-13-12-14-17-34)30(5)42(62)57-37(49(70)72-11)21-22-40(61)60(9)33(8)45(65)54-32(7)44(64)58-38/h12-14,16-17,19-20,25,27,29-32,35-39,41H,8,15,18,21-24,26H2,1-7,9-11H3,(H,54,65)(H,55,66)(H,56,63)(H,57,62)(H,58,64)(H,59,67)(H,68,69)(H4,51,52,53)/b20-19+,28-25+/t29-,30-,31-,32+,35-,36-,37+,38-,39-,41+/m0/s1
+CH$LINK: PUBCHEM CID:101643573
+CH$LINK: INCHIKEY PONFOSATPJORFV-AFQNMZSJSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 105-1051
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 16.058 min
+MS$FOCUSED_ION: BASE_PEAK 505.2891
+MS$FOCUSED_ION: PRECURSOR_M/Z 1009.5717
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0a4i-9000000000-166bae7b589500ae2939
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  1009.5704 C50H77N10O12+ 1 1009.5717 -1.33
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  1009.5704 31335564 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED187702.txt b/Eawag/MSBNK-EAWAG-ED187702.txt
new file mode 100644
index 0000000000..481db81e1d
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED187702.txt
@@ -0,0 +1,45 @@
+ACCESSION: MSBNK-EAWAG-ED187702
+RECORD_TITLE: [D-MeO-Glu6]MC-LR; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: http://dx.doi.org/10.1016/j.toxicon.2013.03.016
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1877
+CH$NAME: [D-MeO-Glu6]MC-LR
+CH$NAME: [D-Glu(OMe)6]MC-LR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-22-methoxycarbonyl-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11-carboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C50H76N10O12
+CH$EXACT_MASS: 1008.564418
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)OC)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C50H76N10O12/c1-27(2)24-38-47(67)59-41(48(68)69)31(6)43(63)56-36(18-15-23-53-50(51)52)46(66)55-35(20-19-28(3)25-29(4)39(71-10)26-34-16-13-12-14-17-34)30(5)42(62)57-37(49(70)72-11)21-22-40(61)60(9)33(8)45(65)54-32(7)44(64)58-38/h12-14,16-17,19-20,25,27,29-32,35-39,41H,8,15,18,21-24,26H2,1-7,9-11H3,(H,54,65)(H,55,66)(H,56,63)(H,57,62)(H,58,64)(H,59,67)(H,68,69)(H4,51,52,53)/b20-19+,28-25+/t29-,30-,31-,32+,35-,36-,37+,38-,39-,41+/m0/s1
+CH$LINK: PUBCHEM CID:101643573
+CH$LINK: INCHIKEY PONFOSATPJORFV-AFQNMZSJSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 105-1051
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 16.058 min
+MS$FOCUSED_ION: BASE_PEAK 505.2891
+MS$FOCUSED_ION: PRECURSOR_M/Z 1009.5717
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0a4i-9000000000-801f601b1afaa86d0113
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  1009.5706 C50H77N10O12+ 1 1009.5717 -1.08
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  1009.5706 30965956 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED187703.txt b/Eawag/MSBNK-EAWAG-ED187703.txt
new file mode 100644
index 0000000000..a482fd66cd
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED187703.txt
@@ -0,0 +1,45 @@
+ACCESSION: MSBNK-EAWAG-ED187703
+RECORD_TITLE: [D-MeO-Glu6]MC-LR; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: http://dx.doi.org/10.1016/j.toxicon.2013.03.016
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1877
+CH$NAME: [D-MeO-Glu6]MC-LR
+CH$NAME: [D-Glu(OMe)6]MC-LR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-22-methoxycarbonyl-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11-carboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C50H76N10O12
+CH$EXACT_MASS: 1008.564418
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)OC)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C50H76N10O12/c1-27(2)24-38-47(67)59-41(48(68)69)31(6)43(63)56-36(18-15-23-53-50(51)52)46(66)55-35(20-19-28(3)25-29(4)39(71-10)26-34-16-13-12-14-17-34)30(5)42(62)57-37(49(70)72-11)21-22-40(61)60(9)33(8)45(65)54-32(7)44(64)58-38/h12-14,16-17,19-20,25,27,29-32,35-39,41H,8,15,18,21-24,26H2,1-7,9-11H3,(H,54,65)(H,55,66)(H,56,63)(H,57,62)(H,58,64)(H,59,67)(H,68,69)(H4,51,52,53)/b20-19+,28-25+/t29-,30-,31-,32+,35-,36-,37+,38-,39-,41+/m0/s1
+CH$LINK: PUBCHEM CID:101643573
+CH$LINK: INCHIKEY PONFOSATPJORFV-AFQNMZSJSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 105-1051
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 16.058 min
+MS$FOCUSED_ION: BASE_PEAK 505.2891
+MS$FOCUSED_ION: PRECURSOR_M/Z 1009.5717
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0a4i-9000000000-e02762f4d1f336b37e84
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  1009.5705 C50H77N10O12+ 1 1009.5717 -1.2
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  1009.5705 27960408 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED187704.txt b/Eawag/MSBNK-EAWAG-ED187704.txt
new file mode 100644
index 0000000000..36f201d974
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED187704.txt
@@ -0,0 +1,63 @@
+ACCESSION: MSBNK-EAWAG-ED187704
+RECORD_TITLE: [D-MeO-Glu6]MC-LR; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: http://dx.doi.org/10.1016/j.toxicon.2013.03.016
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1877
+CH$NAME: [D-MeO-Glu6]MC-LR
+CH$NAME: [D-Glu(OMe)6]MC-LR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-22-methoxycarbonyl-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11-carboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C50H76N10O12
+CH$EXACT_MASS: 1008.564418
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)OC)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C50H76N10O12/c1-27(2)24-38-47(67)59-41(48(68)69)31(6)43(63)56-36(18-15-23-53-50(51)52)46(66)55-35(20-19-28(3)25-29(4)39(71-10)26-34-16-13-12-14-17-34)30(5)42(62)57-37(49(70)72-11)21-22-40(61)60(9)33(8)45(65)54-32(7)44(64)58-38/h12-14,16-17,19-20,25,27,29-32,35-39,41H,8,15,18,21-24,26H2,1-7,9-11H3,(H,54,65)(H,55,66)(H,56,63)(H,57,62)(H,58,64)(H,59,67)(H,68,69)(H4,51,52,53)/b20-19+,28-25+/t29-,30-,31-,32+,35-,36-,37+,38-,39-,41+/m0/s1
+CH$LINK: PUBCHEM CID:101643573
+CH$LINK: INCHIKEY PONFOSATPJORFV-AFQNMZSJSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 105-1051
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 16.058 min
+MS$FOCUSED_ION: BASE_PEAK 505.2891
+MS$FOCUSED_ION: PRECURSOR_M/Z 1009.5717
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0a4i-9000000000-c2bec488a84a42d30333
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  107.0855 C8H11+ 1 107.0855 0.05
+  135.0805 C9H11O+ 1 135.0804 0.53
+  135.1168 C10H15+ 1 135.1168 -0.21
+  163.1114 C11H15O+ 1 163.1117 -2.09
+  174.1342 C5H20NO5+ 3 174.1336 3.64
+  227.1016 C8H13N5O3+ 2 227.1013 1.33
+  937.5867 C48H77N10O9+ 1 937.587 -0.25
+  981.5769 C49H77N10O11+ 1 981.5768 0.17
+  992.5471 C50H74N9O12+ 1 992.5451 1.96
+  1009.5715 C50H77N10O12+ 1 1009.5717 -0.18
+PK$NUM_PEAK: 10
+PK$PEAK: m/z int. rel.int.
+  107.0855 167969.3 11
+  135.0805 370695 24
+  135.1168 307802.9 20
+  163.1114 398155.8 26
+  174.1342 196968.4 12
+  227.1016 446326.7 29
+  937.5867 205445.7 13
+  981.5769 625591.4 41
+  992.5471 439343.7 28
+  1009.5715 15152464 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED187705.txt b/Eawag/MSBNK-EAWAG-ED187705.txt
new file mode 100644
index 0000000000..507b5e762e
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED187705.txt
@@ -0,0 +1,111 @@
+ACCESSION: MSBNK-EAWAG-ED187705
+RECORD_TITLE: [D-MeO-Glu6]MC-LR; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: http://dx.doi.org/10.1016/j.toxicon.2013.03.016
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1877
+CH$NAME: [D-MeO-Glu6]MC-LR
+CH$NAME: [D-Glu(OMe)6]MC-LR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-22-methoxycarbonyl-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11-carboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C50H76N10O12
+CH$EXACT_MASS: 1008.564418
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)OC)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C50H76N10O12/c1-27(2)24-38-47(67)59-41(48(68)69)31(6)43(63)56-36(18-15-23-53-50(51)52)46(66)55-35(20-19-28(3)25-29(4)39(71-10)26-34-16-13-12-14-17-34)30(5)42(62)57-37(49(70)72-11)21-22-40(61)60(9)33(8)45(65)54-32(7)44(64)58-38/h12-14,16-17,19-20,25,27,29-32,35-39,41H,8,15,18,21-24,26H2,1-7,9-11H3,(H,54,65)(H,55,66)(H,56,63)(H,57,62)(H,58,64)(H,59,67)(H,68,69)(H4,51,52,53)/b20-19+,28-25+/t29-,30-,31-,32+,35-,36-,37+,38-,39-,41+/m0/s1
+CH$LINK: PUBCHEM CID:101643573
+CH$LINK: INCHIKEY PONFOSATPJORFV-AFQNMZSJSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 105-1051
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 16.058 min
+MS$FOCUSED_ION: BASE_PEAK 505.2891
+MS$FOCUSED_ION: PRECURSOR_M/Z 1009.5717
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-002r-0920000000-4ae102790218beb25ebb
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  105.0699 C8H9+ 1 105.0699 0.68
+  107.0856 C8H11+ 1 107.0855 0.33
+  112.0868 C5H10N3+ 1 112.0869 -0.78
+  113.071 C5H9N2O+ 1 113.0709 0.39
+  115.0541 C9H7+ 1 115.0542 -1
+  115.0865 C5H11N2O+ 1 115.0866 -0.65
+  117.0699 C9H9+ 1 117.0699 -0.06
+  119.0855 C9H11+ 1 119.0855 -0.53
+  124.1119 C8H14N+ 1 124.1121 -1.68
+  127.0865 C6H11N2O+ 1 127.0866 -0.38
+  131.0853 C10H11+ 1 131.0855 -1.42
+  133.1015 C10H13+ 1 133.1012 2.54
+  135.0804 C9H11O+ 1 135.0804 -0.04
+  135.1167 C10H15+ 1 135.1168 -0.78
+  138.055 C7H8NO2+ 1 138.055 0.13
+  139.0976 C6H11N4+ 1 139.0978 -1.33
+  140.0819 C6H10N3O+ 1 140.0818 0.65
+  143.0854 C11H11+ 1 143.0855 -1.06
+  144.0654 C6H10NO3+ 1 144.0655 -0.51
+  145.1016 C11H13+ 1 145.1012 2.84
+  155.0812 C7H11N2O2+ 1 155.0815 -2.08
+  157.1085 C6H13N4O+ 1 157.1084 0.97
+  158.0924 C6H12N3O2+ 1 158.0924 0.2
+  161.0958 C11H13O+ 1 161.0961 -1.67
+  163.1115 C11H15O+ 1 163.1117 -1.43
+  167.0814 C8H11N2O2+ 1 167.0815 -0.55
+  174.1344 C5H20NO5+ 3 174.1336 4.34
+  183.0872 C7H11N4O2+ 3 183.0877 -2.47
+  200.1133 C6H18NO6+ 3 200.1129 2.21
+  201.0973 C6H17O7+ 3 201.0969 2.09
+  225.0865 C10H13N2O4+ 2 225.087 -2.27
+  226.1171 C8H14N6O2+ 1 226.1173 -0.56
+  227.1016 C8H13N5O3+ 2 227.1013 1.33
+  253.0808 C9H11N5O4+ 3 253.0806 0.77
+PK$NUM_PEAK: 34
+PK$PEAK: m/z int. rel.int.
+  105.0699 244435.9 140
+  107.0856 991116.4 568
+  112.0868 300386.6 172
+  113.071 49471.9 28
+  115.0541 32133.2 18
+  115.0865 131521 75
+  117.0699 86987 49
+  119.0855 37931.6 21
+  124.1119 45519.4 26
+  127.0865 349016.2 200
+  131.0853 59118.5 33
+  133.1015 32286.6 18
+  135.0804 1741930.1 999
+  135.1167 1268237 727
+  138.055 81600.4 46
+  139.0976 33118.1 18
+  140.0819 75488.2 43
+  143.0854 39778.8 22
+  144.0654 259534.3 148
+  145.1016 67339.3 38
+  155.0812 368132.2 211
+  157.1085 231009.9 132
+  158.0924 54352.5 31
+  161.0958 66375.3 38
+  163.1115 766595.8 439
+  167.0814 76079.8 43
+  174.1344 291157.7 166
+  183.0872 75537.6 43
+  200.1133 321998.1 184
+  201.0973 86576.8 49
+  225.0865 49034.5 28
+  226.1171 102885.3 59
+  227.1016 1331495.2 763
+  253.0808 275312.3 157
+//
diff --git a/Eawag/MSBNK-EAWAG-ED187706.txt b/Eawag/MSBNK-EAWAG-ED187706.txt
new file mode 100644
index 0000000000..c5efbdd3f3
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED187706.txt
@@ -0,0 +1,133 @@
+ACCESSION: MSBNK-EAWAG-ED187706
+RECORD_TITLE: [D-MeO-Glu6]MC-LR; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: http://dx.doi.org/10.1016/j.toxicon.2013.03.016
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1877
+CH$NAME: [D-MeO-Glu6]MC-LR
+CH$NAME: [D-Glu(OMe)6]MC-LR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-22-methoxycarbonyl-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11-carboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C50H76N10O12
+CH$EXACT_MASS: 1008.564418
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)OC)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C50H76N10O12/c1-27(2)24-38-47(67)59-41(48(68)69)31(6)43(63)56-36(18-15-23-53-50(51)52)46(66)55-35(20-19-28(3)25-29(4)39(71-10)26-34-16-13-12-14-17-34)30(5)42(62)57-37(49(70)72-11)21-22-40(61)60(9)33(8)45(65)54-32(7)44(64)58-38/h12-14,16-17,19-20,25,27,29-32,35-39,41H,8,15,18,21-24,26H2,1-7,9-11H3,(H,54,65)(H,55,66)(H,56,63)(H,57,62)(H,58,64)(H,59,67)(H,68,69)(H4,51,52,53)/b20-19+,28-25+/t29-,30-,31-,32+,35-,36-,37+,38-,39-,41+/m0/s1
+CH$LINK: PUBCHEM CID:101643573
+CH$LINK: INCHIKEY PONFOSATPJORFV-AFQNMZSJSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 105-1051
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 16.058 min
+MS$FOCUSED_ION: BASE_PEAK 505.2891
+MS$FOCUSED_ION: PRECURSOR_M/Z 1009.5717
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0550-0910000000-551ceea7e2087b60bd97
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  105.0699 C8H9+ 1 105.0699 0.46
+  107.0856 C8H11+ 1 107.0855 0.4
+  109.0649 C7H9O+ 1 109.0648 0.61
+  112.0869 C5H10N3+ 1 112.0869 0.1
+  113.0709 C5H9N2O+ 1 113.0709 -0.42
+  114.1026 C5H12N3+ 1 114.1026 0.33
+  115.0866 C5H11N2O+ 1 115.0866 -0.26
+  116.0709 C5H10NO2+ 1 116.0706 2.28
+  117.0699 C9H9+ 1 117.0699 0
+  119.0856 C9H11+ 1 119.0855 0.56
+  120.0809 C8H10N+ 1 120.0808 0.98
+  124.112 C8H14N+ 1 124.1121 -0.82
+  127.0866 C6H11N2O+ 1 127.0866 -0.26
+  130.0973 C5H12N3O+ 1 130.0975 -1.34
+  131.0856 C10H11+ 1 131.0855 0.56
+  133.1013 C10H13+ 1 133.1012 1.05
+  135.0804 C9H11O+ 1 135.0804 -0.26
+  135.1167 C10H15+ 1 135.1168 -0.67
+  138.055 C7H8NO2+ 1 138.055 0.02
+  139.0982 C6H11N4+ 1 139.0978 2.51
+  140.082 C6H10N3O+ 1 140.0818 1.08
+  141.0655 C6H9N2O2+ 1 141.0659 -2.82
+  142.0497 C6H8NO3+ 1 142.0499 -0.89
+  142.0864 C7H12NO2+ 1 142.0863 0.88
+  144.0655 C6H10NO3+ 1 144.0655 0.02
+  145.1011 C11H13+ 1 145.1012 -0.21
+  149.071 C8H9N2O+ 1 149.0709 0.45
+  153.1023 C8H13N2O+ 1 153.1022 0.31
+  155.0812 C7H11N2O2+ 1 155.0815 -2.18
+  157.1084 C6H13N4O+ 1 157.1084 0.2
+  157.1332 C8H17N2O+ 1 157.1335 -2.46
+  158.0923 C6H12N3O2+ 1 158.0924 -0.57
+  163.1115 C11H15O+ 1 163.1117 -1.62
+  167.0811 C8H11N2O2+ 1 167.0815 -2.56
+  174.1344 C5H20NO5+ 3 174.1336 4.61
+  175.1182 C6H15N4O2+ 3 175.119 -4.14
+  183.0873 C7H11N4O2+ 1 183.0877 -1.97
+  200.1131 C6H18NO6+ 2 200.1129 1.21
+  201.0974 C6H17O7+ 3 201.0969 2.54
+  209.0911 C8H11N5O2+ 2 209.0907 1.89
+  218.1535 C14H20NO+ 3 218.1539 -1.97
+  226.1174 C8H14N6O2+ 1 226.1173 0.46
+  227.1015 C8H13N5O3+ 2 227.1013 1.13
+  246.148 H26N2O12+ 3 246.148 -0.04
+  253.081 C9H11N5O4+ 3 253.0806 1.61
+PK$NUM_PEAK: 45
+PK$PEAK: m/z int. rel.int.
+  105.0699 588346.4 305
+  107.0856 1324600.9 688
+  109.0649 24437 12
+  112.0869 382735.6 198
+  113.0709 81349.2 42
+  114.1026 67684 35
+  115.0866 233826.6 121
+  116.0709 30229.3 15
+  117.0699 262194.8 136
+  119.0856 63346.2 32
+  120.0809 57763.2 30
+  124.112 45973.7 23
+  127.0866 660767.5 343
+  130.0973 33542.8 17
+  131.0856 68708.8 35
+  133.1013 52821.9 27
+  135.0804 1922446 999
+  135.1167 1040563.4 540
+  138.055 103738.5 53
+  139.0982 31963.8 16
+  140.082 130734.9 67
+  141.0655 129013.9 67
+  142.0497 63895.6 33
+  142.0864 55284.1 28
+  144.0655 213173 110
+  145.1011 68310.3 35
+  149.071 38951.7 20
+  153.1023 33015.9 17
+  155.0812 376195.9 195
+  157.1084 177340.4 92
+  157.1332 22457.9 11
+  158.0923 65927.2 34
+  163.1115 404790.8 210
+  167.0811 202292.9 105
+  174.1344 160867.7 83
+  175.1182 38600.2 20
+  183.0873 80602.4 41
+  200.1131 255099.2 132
+  201.0974 89229.9 46
+  209.0911 255284.2 132
+  218.1535 54077.4 28
+  226.1174 89975.4 46
+  227.1015 941505 489
+  246.148 50635.2 26
+  253.081 162220.7 84
+//
diff --git a/Eawag/MSBNK-EAWAG-ED187707.txt b/Eawag/MSBNK-EAWAG-ED187707.txt
new file mode 100644
index 0000000000..88437062fd
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED187707.txt
@@ -0,0 +1,121 @@
+ACCESSION: MSBNK-EAWAG-ED187707
+RECORD_TITLE: [D-MeO-Glu6]MC-LR; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: http://dx.doi.org/10.1016/j.toxicon.2013.03.016
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1877
+CH$NAME: [D-MeO-Glu6]MC-LR
+CH$NAME: [D-Glu(OMe)6]MC-LR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-22-methoxycarbonyl-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11-carboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C50H76N10O12
+CH$EXACT_MASS: 1008.564418
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)OC)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C50H76N10O12/c1-27(2)24-38-47(67)59-41(48(68)69)31(6)43(63)56-36(18-15-23-53-50(51)52)46(66)55-35(20-19-28(3)25-29(4)39(71-10)26-34-16-13-12-14-17-34)30(5)42(62)57-37(49(70)72-11)21-22-40(61)60(9)33(8)45(65)54-32(7)44(64)58-38/h12-14,16-17,19-20,25,27,29-32,35-39,41H,8,15,18,21-24,26H2,1-7,9-11H3,(H,54,65)(H,55,66)(H,56,63)(H,57,62)(H,58,64)(H,59,67)(H,68,69)(H4,51,52,53)/b20-19+,28-25+/t29-,30-,31-,32+,35-,36-,37+,38-,39-,41+/m0/s1
+CH$LINK: PUBCHEM CID:101643573
+CH$LINK: INCHIKEY PONFOSATPJORFV-AFQNMZSJSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 105-1051
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 16.058 min
+MS$FOCUSED_ION: BASE_PEAK 505.2891
+MS$FOCUSED_ION: PRECURSOR_M/Z 1009.5717
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0a4r-0910000000-dcbfd5da8f2ec9100596
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  105.07 C8H9+ 1 105.0699 0.82
+  107.0856 C8H11+ 1 107.0855 0.55
+  109.0649 C7H9O+ 1 109.0648 1.38
+  110.0239 C5H4NO2+ 1 110.0237 2.64
+  110.0602 C6H8NO+ 1 110.06 1.24
+  112.087 C5H10N3+ 1 112.0869 0.78
+  113.0709 C5H9N2O+ 1 113.0709 -0.63
+  114.1023 C5H12N3+ 1 114.1026 -2.01
+  115.0544 C9H7+ 1 115.0542 1.39
+  115.0866 C5H11N2O+ 1 115.0866 -0.12
+  116.0712 C5H10NO2+ 1 116.0706 4.91
+  117.0699 C9H9+ 1 117.0699 0.2
+  120.081 C8H10N+ 1 120.0808 1.62
+  121.1016 C9H13+ 1 121.1012 3.56
+  124.1123 C8H14N+ 1 124.1121 1.89
+  127.0395 C6H7O3+ 1 127.039 4.1
+  127.0866 C6H11N2O+ 1 127.0866 -0.2
+  129.07 C10H9+ 1 129.0699 0.69
+  130.098 C5H12N3O+ 1 130.0975 3.94
+  131.0852 C10H11+ 1 131.0855 -2.58
+  133.1013 C10H13+ 1 133.1012 1.17
+  135.0805 C9H11O+ 1 135.0804 0.08
+  135.1167 C10H15+ 1 135.1168 -0.78
+  138.055 C7H8NO2+ 1 138.055 0.69
+  141.0658 C6H9N2O2+ 1 141.0659 -0.44
+  142.0865 C7H12NO2+ 1 142.0863 1.63
+  144.0656 C6H10NO3+ 1 144.0655 0.87
+  153.1024 C8H13N2O+ 1 153.1022 1.21
+  155.0812 C7H11N2O2+ 1 155.0815 -1.78
+  158.0929 C6H12N3O2+ 1 158.0924 3.39
+  163.1119 C11H15O+ 1 163.1117 0.81
+  167.0813 C8H11N2O2+ 1 167.0815 -1.46
+  183.0875 C7H11N4O2+ 1 183.0877 -1.05
+  200.1132 C6H18NO6+ 2 200.1129 1.44
+  209.0911 C8H11N5O2+ 2 209.0907 1.67
+  210.0758 C10H12NO4+ 1 210.0761 -1.15
+  225.0862 C8H11N5O3+ 2 225.0856 2.68
+  227.1016 C8H13N5O3+ 2 227.1013 1.26
+  253.0811 C9H11N5O4+ 3 253.0806 2.28
+PK$NUM_PEAK: 39
+PK$PEAK: m/z int. rel.int.
+  105.07 859848.2 623
+  107.0856 1376708.1 999
+  109.0649 47154.9 34
+  110.0239 33171.9 24
+  110.0602 36866.7 26
+  112.087 323885.7 235
+  113.0709 62436.9 45
+  114.1023 63390.8 45
+  115.0544 157598.6 114
+  115.0866 173746.8 126
+  116.0712 23138.6 16
+  117.0699 342978.7 248
+  120.081 44919.6 32
+  121.1016 22344.2 16
+  124.1123 21603.9 15
+  127.0395 46246 33
+  127.0866 813899.4 590
+  129.07 30781.1 22
+  130.098 28130.4 20
+  131.0852 68124.9 49
+  133.1013 50146.1 36
+  135.0805 1325303.8 961
+  135.1167 590688.9 428
+  138.055 109264.9 79
+  141.0658 166766.7 121
+  142.0865 37303.2 27
+  144.0656 146645 106
+  153.1024 24428.9 17
+  155.0812 186608.2 135
+  158.0929 34499.6 25
+  163.1119 136082.7 98
+  167.0813 304667.9 221
+  183.0875 62424.8 45
+  200.1132 87911.2 63
+  209.0911 236183.4 171
+  210.0758 48025.2 34
+  225.0862 51069.9 37
+  227.1016 418581 303
+  253.0811 39328.5 28
+//
diff --git a/Eawag/MSBNK-EAWAG-ED187708.txt b/Eawag/MSBNK-EAWAG-ED187708.txt
new file mode 100644
index 0000000000..77720e884e
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED187708.txt
@@ -0,0 +1,101 @@
+ACCESSION: MSBNK-EAWAG-ED187708
+RECORD_TITLE: [D-MeO-Glu6]MC-LR; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: http://dx.doi.org/10.1016/j.toxicon.2013.03.016
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1877
+CH$NAME: [D-MeO-Glu6]MC-LR
+CH$NAME: [D-Glu(OMe)6]MC-LR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-22-methoxycarbonyl-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11-carboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C50H76N10O12
+CH$EXACT_MASS: 1008.564418
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)OC)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C50H76N10O12/c1-27(2)24-38-47(67)59-41(48(68)69)31(6)43(63)56-36(18-15-23-53-50(51)52)46(66)55-35(20-19-28(3)25-29(4)39(71-10)26-34-16-13-12-14-17-34)30(5)42(62)57-37(49(70)72-11)21-22-40(61)60(9)33(8)45(65)54-32(7)44(64)58-38/h12-14,16-17,19-20,25,27,29-32,35-39,41H,8,15,18,21-24,26H2,1-7,9-11H3,(H,54,65)(H,55,66)(H,56,63)(H,57,62)(H,58,64)(H,59,67)(H,68,69)(H4,51,52,53)/b20-19+,28-25+/t29-,30-,31-,32+,35-,36-,37+,38-,39-,41+/m0/s1
+CH$LINK: PUBCHEM CID:101643573
+CH$LINK: INCHIKEY PONFOSATPJORFV-AFQNMZSJSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 105-1051
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 16.058 min
+MS$FOCUSED_ION: BASE_PEAK 505.2891
+MS$FOCUSED_ION: PRECURSOR_M/Z 1009.5717
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0a4i-0900000000-1f9e168d0745bf0bc5a0
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  105.0699 C8H9+ 1 105.0699 0.68
+  107.0856 C8H11+ 1 107.0855 0.4
+  109.0647 C7H9O+ 1 109.0648 -1.07
+  110.0237 C5H4NO2+ 1 110.0237 0.7
+  110.0602 C6H8NO+ 1 110.06 1.24
+  112.0868 C5H10N3+ 1 112.0869 -0.71
+  114.1027 C5H12N3+ 1 114.1026 1.27
+  115.0543 C9H7+ 1 115.0542 0.46
+  115.0865 C5H11N2O+ 1 115.0866 -0.52
+  117.0699 C9H9+ 1 117.0699 -0.19
+  119.0854 C9H11+ 1 119.0855 -0.72
+  120.0572 C8H8O+ 1 120.057 1.92
+  120.0809 C8H10N+ 1 120.0808 0.92
+  121.0762 C7H9N2+ 1 121.076 1.72
+  127.0394 C6H7O3+ 1 127.039 3.56
+  127.0866 C6H11N2O+ 1 127.0866 -0.14
+  135.0804 C9H11O+ 1 135.0804 -0.15
+  135.1166 C10H15+ 1 135.1168 -1.91
+  138.0548 C7H8NO2+ 1 138.055 -1.3
+  140.0818 C6H10N3O+ 1 140.0818 -0.22
+  141.0655 C6H9N2O2+ 1 141.0659 -2.39
+  142.05 C6H8NO3+ 1 142.0499 1.05
+  144.0653 C6H10NO3+ 1 144.0655 -1.57
+  149.0704 C8H9N2O+ 1 149.0709 -3.34
+  155.0811 C7H11N2O2+ 1 155.0815 -2.57
+  157.108 C6H13N4O+ 1 157.1084 -2.62
+  167.0812 C8H11N2O2+ 1 167.0815 -1.73
+  209.0911 C8H11N5O2+ 2 209.0907 1.67
+  227.1016 C8H13N5O3+ 2 227.1013 1.39
+PK$NUM_PEAK: 29
+PK$PEAK: m/z int. rel.int.
+  105.0699 894657.9 876
+  107.0856 1019256.4 999
+  109.0647 71317.6 69
+  110.0237 30712.1 30
+  110.0602 49914.5 48
+  112.0868 229682.5 225
+  114.1027 33898.3 33
+  115.0543 248628.6 243
+  115.0865 114640.2 112
+  117.0699 342246.5 335
+  119.0854 61831.2 60
+  120.0572 35987.7 35
+  120.0809 49436.9 48
+  121.0762 61793.5 60
+  127.0394 64234.5 62
+  127.0866 692019.2 678
+  135.0804 657955.6 644
+  135.1166 237795 233
+  138.0548 51753.6 50
+  140.0818 47865.5 46
+  141.0655 150491.7 147
+  142.05 72662.2 71
+  144.0653 73455.7 71
+  149.0704 94149.6 92
+  155.0811 72122.2 70
+  157.108 30171.7 29
+  167.0812 297614.3 291
+  209.0911 112197 109
+  227.1016 101336.3 99
+//
diff --git a/Eawag/MSBNK-EAWAG-ED187709.txt b/Eawag/MSBNK-EAWAG-ED187709.txt
new file mode 100644
index 0000000000..c592241267
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED187709.txt
@@ -0,0 +1,83 @@
+ACCESSION: MSBNK-EAWAG-ED187709
+RECORD_TITLE: [D-MeO-Glu6]MC-LR; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: http://dx.doi.org/10.1016/j.toxicon.2013.03.016
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1877
+CH$NAME: [D-MeO-Glu6]MC-LR
+CH$NAME: [D-Glu(OMe)6]MC-LR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-22-methoxycarbonyl-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11-carboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C50H76N10O12
+CH$EXACT_MASS: 1008.564418
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)OC)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C50H76N10O12/c1-27(2)24-38-47(67)59-41(48(68)69)31(6)43(63)56-36(18-15-23-53-50(51)52)46(66)55-35(20-19-28(3)25-29(4)39(71-10)26-34-16-13-12-14-17-34)30(5)42(62)57-37(49(70)72-11)21-22-40(61)60(9)33(8)45(65)54-32(7)44(64)58-38/h12-14,16-17,19-20,25,27,29-32,35-39,41H,8,15,18,21-24,26H2,1-7,9-11H3,(H,54,65)(H,55,66)(H,56,63)(H,57,62)(H,58,64)(H,59,67)(H,68,69)(H4,51,52,53)/b20-19+,28-25+/t29-,30-,31-,32+,35-,36-,37+,38-,39-,41+/m0/s1
+CH$LINK: PUBCHEM CID:101643573
+CH$LINK: INCHIKEY PONFOSATPJORFV-AFQNMZSJSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 105-1051
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 16.058 min
+MS$FOCUSED_ION: BASE_PEAK 505.2891
+MS$FOCUSED_ION: PRECURSOR_M/Z 1009.5717
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0a4i-0900000000-0abc791cb5d7d30a9a77
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  105.0699 C8H9+ 1 105.0699 -0.05
+  107.0855 C8H11+ 1 107.0855 -0.52
+  109.065 C7H9O+ 1 109.0648 2.01
+  110.0239 C5H4NO2+ 1 110.0237 2.64
+  110.0602 C6H8NO+ 1 110.06 1.45
+  112.0869 C5H10N3+ 1 112.0869 -0.65
+  115.0541 C9H7+ 1 115.0542 -0.93
+  115.0863 C5H11N2O+ 1 115.0866 -2.71
+  117.0696 C9H9+ 1 117.0699 -1.95
+  120.0572 C8H8O+ 1 120.057 2.11
+  121.0759 C7H9N2+ 1 121.076 -1.36
+  127.0865 C6H11N2O+ 1 127.0866 -0.86
+  128.0618 C10H8+ 1 128.0621 -1.98
+  129.0699 C10H9+ 1 129.0699 0.1
+  131.0855 C10H11+ 1 131.0855 -0.13
+  135.0804 C9H11O+ 1 135.0804 -0.26
+  142.0499 C6H8NO3+ 1 142.0499 0.29
+  144.0654 C6H10NO3+ 1 144.0655 -1.14
+  149.0707 C8H9N2O+ 1 149.0709 -1.6
+  167.0814 C8H11N2O2+ 1 167.0815 -0.91
+PK$NUM_PEAK: 20
+PK$PEAK: m/z int. rel.int.
+  105.0699 832072.1 999
+  107.0855 714815.9 858
+  109.065 69144.7 83
+  110.0239 60967.3 73
+  110.0602 42842.2 51
+  112.0869 141540.6 169
+  115.0541 244785 293
+  115.0863 75585.2 90
+  117.0696 241805.7 290
+  120.0572 41886.7 50
+  121.0759 86888 104
+  127.0865 482645 579
+  128.0618 20475.4 24
+  129.0699 36899.1 44
+  131.0855 36344.4 43
+  135.0804 273294.5 328
+  142.0499 37021.9 44
+  144.0654 34862.2 41
+  149.0707 85481.3 102
+  167.0814 164742.1 197
+//
diff --git a/Eawag/MSBNK-EAWAG-ED187751.txt b/Eawag/MSBNK-EAWAG-ED187751.txt
new file mode 100644
index 0000000000..4f9688fedb
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED187751.txt
@@ -0,0 +1,47 @@
+ACCESSION: MSBNK-EAWAG-ED187751
+RECORD_TITLE: [D-MeO-Glu6]MC-LR; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: http://dx.doi.org/10.1016/j.toxicon.2013.03.016
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1877
+CH$NAME: [D-MeO-Glu6]MC-LR
+CH$NAME: [D-Glu(OMe)6]MC-LR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-22-methoxycarbonyl-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11-carboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C50H76N10O12
+CH$EXACT_MASS: 1008.564418
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)OC)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C50H76N10O12/c1-27(2)24-38-47(67)59-41(48(68)69)31(6)43(63)56-36(18-15-23-53-50(51)52)46(66)55-35(20-19-28(3)25-29(4)39(71-10)26-34-16-13-12-14-17-34)30(5)42(62)57-37(49(70)72-11)21-22-40(61)60(9)33(8)45(65)54-32(7)44(64)58-38/h12-14,16-17,19-20,25,27,29-32,35-39,41H,8,15,18,21-24,26H2,1-7,9-11H3,(H,54,65)(H,55,66)(H,56,63)(H,57,62)(H,58,64)(H,59,67)(H,68,69)(H4,51,52,53)/b20-19+,28-25+/t29-,30-,31-,32+,35-,36-,37+,38-,39-,41+/m0/s1
+CH$LINK: PUBCHEM CID:101643573
+CH$LINK: INCHIKEY PONFOSATPJORFV-AFQNMZSJSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 104-1049
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 16.045 min
+MS$FOCUSED_ION: BASE_PEAK 1007.5569
+MS$FOCUSED_ION: PRECURSOR_M/Z 1007.5571
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0a4i-9000000000-dd912ef015c16c500f63
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  989.5453 C50H73N10O11- 1 989.5466 -1.32
+  1007.557 C50H75N10O12- 1 1007.5571 -0.17
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  989.5453 431999.4 25
+  1007.557 17080552 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED187752.txt b/Eawag/MSBNK-EAWAG-ED187752.txt
new file mode 100644
index 0000000000..87c5f8511f
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED187752.txt
@@ -0,0 +1,53 @@
+ACCESSION: MSBNK-EAWAG-ED187752
+RECORD_TITLE: [D-MeO-Glu6]MC-LR; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: http://dx.doi.org/10.1016/j.toxicon.2013.03.016
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1877
+CH$NAME: [D-MeO-Glu6]MC-LR
+CH$NAME: [D-Glu(OMe)6]MC-LR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-22-methoxycarbonyl-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11-carboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C50H76N10O12
+CH$EXACT_MASS: 1008.564418
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)OC)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C50H76N10O12/c1-27(2)24-38-47(67)59-41(48(68)69)31(6)43(63)56-36(18-15-23-53-50(51)52)46(66)55-35(20-19-28(3)25-29(4)39(71-10)26-34-16-13-12-14-17-34)30(5)42(62)57-37(49(70)72-11)21-22-40(61)60(9)33(8)45(65)54-32(7)44(64)58-38/h12-14,16-17,19-20,25,27,29-32,35-39,41H,8,15,18,21-24,26H2,1-7,9-11H3,(H,54,65)(H,55,66)(H,56,63)(H,57,62)(H,58,64)(H,59,67)(H,68,69)(H4,51,52,53)/b20-19+,28-25+/t29-,30-,31-,32+,35-,36-,37+,38-,39-,41+/m0/s1
+CH$LINK: PUBCHEM CID:101643573
+CH$LINK: INCHIKEY PONFOSATPJORFV-AFQNMZSJSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 104-1049
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 16.045 min
+MS$FOCUSED_ION: BASE_PEAK 1007.5569
+MS$FOCUSED_ION: PRECURSOR_M/Z 1007.5571
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0a4i-9000000001-03168298b0564aa96be4
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  283.1764 C13H23N4O3- 3 283.1776 -3.94
+  788.3969 C39H52N10O8- 8 788.3975 -0.81
+  957.5192 C49H69N10O10- 1 957.5204 -1.17
+  989.5457 C50H73N10O11- 1 989.5466 -0.89
+  1007.5562 C50H75N10O12- 1 1007.5571 -0.95
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  283.1764 335842.6 30
+  788.3969 436135.2 39
+  957.5192 587007.4 52
+  989.5457 1257303.5 112
+  1007.5562 11143007 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED187753.txt b/Eawag/MSBNK-EAWAG-ED187753.txt
new file mode 100644
index 0000000000..c2fabe54fa
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED187753.txt
@@ -0,0 +1,67 @@
+ACCESSION: MSBNK-EAWAG-ED187753
+RECORD_TITLE: [D-MeO-Glu6]MC-LR; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: http://dx.doi.org/10.1016/j.toxicon.2013.03.016
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1877
+CH$NAME: [D-MeO-Glu6]MC-LR
+CH$NAME: [D-Glu(OMe)6]MC-LR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-22-methoxycarbonyl-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11-carboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C50H76N10O12
+CH$EXACT_MASS: 1008.564418
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)OC)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C50H76N10O12/c1-27(2)24-38-47(67)59-41(48(68)69)31(6)43(63)56-36(18-15-23-53-50(51)52)46(66)55-35(20-19-28(3)25-29(4)39(71-10)26-34-16-13-12-14-17-34)30(5)42(62)57-37(49(70)72-11)21-22-40(61)60(9)33(8)45(65)54-32(7)44(64)58-38/h12-14,16-17,19-20,25,27,29-32,35-39,41H,8,15,18,21-24,26H2,1-7,9-11H3,(H,54,65)(H,55,66)(H,56,63)(H,57,62)(H,58,64)(H,59,67)(H,68,69)(H4,51,52,53)/b20-19+,28-25+/t29-,30-,31-,32+,35-,36-,37+,38-,39-,41+/m0/s1
+CH$LINK: PUBCHEM CID:101643573
+CH$LINK: INCHIKEY PONFOSATPJORFV-AFQNMZSJSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 104-1049
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 16.045 min
+MS$FOCUSED_ION: BASE_PEAK 1007.5569
+MS$FOCUSED_ION: PRECURSOR_M/Z 1007.5571
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0a4i-9030001304-672b65a4e43cfda68d4b
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  200.1394 C7H16N6O- 1 200.1391 1.41
+  248.1134 C9H12N8O- 3 248.114 -2.36
+  265.1661 C12H25O6- 3 265.1657 1.64
+  266.1227 C8H18N4O6- 3 266.1232 -1.9
+  283.1763 C13H23N4O3- 3 283.1776 -4.37
+  394.2091 C17H32NO9- 6 394.2083 2.26
+  651.3508 C48H45NO- 11 651.3507 0.16
+  690.3638 C38H50N4O8- 10 690.3634 0.53
+  788.3973 C39H52N10O8- 6 788.3975 -0.27
+  957.5197 C49H69N10O10- 1 957.5204 -0.72
+  989.5459 C50H73N10O11- 1 989.5466 -0.65
+  1007.5562 C50H75N10O12- 1 1007.5571 -0.95
+PK$NUM_PEAK: 12
+PK$PEAK: m/z int. rel.int.
+  200.1394 260797.3 63
+  248.1134 116227.5 28
+  265.1661 112914.7 27
+  266.1227 78029.2 19
+  283.1763 1076412.1 262
+  394.2091 222607.6 54
+  651.3508 131531.7 32
+  690.3638 432055.6 105
+  788.3973 1363727.4 333
+  957.5197 882498.4 215
+  989.5459 1063047.4 259
+  1007.5562 4090539.2 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED187754.txt b/Eawag/MSBNK-EAWAG-ED187754.txt
new file mode 100644
index 0000000000..ceb3d280e7
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED187754.txt
@@ -0,0 +1,93 @@
+ACCESSION: MSBNK-EAWAG-ED187754
+RECORD_TITLE: [D-MeO-Glu6]MC-LR; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: http://dx.doi.org/10.1016/j.toxicon.2013.03.016
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1877
+CH$NAME: [D-MeO-Glu6]MC-LR
+CH$NAME: [D-Glu(OMe)6]MC-LR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-22-methoxycarbonyl-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11-carboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C50H76N10O12
+CH$EXACT_MASS: 1008.564418
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)OC)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C50H76N10O12/c1-27(2)24-38-47(67)59-41(48(68)69)31(6)43(63)56-36(18-15-23-53-50(51)52)46(66)55-35(20-19-28(3)25-29(4)39(71-10)26-34-16-13-12-14-17-34)30(5)42(62)57-37(49(70)72-11)21-22-40(61)60(9)33(8)45(65)54-32(7)44(64)58-38/h12-14,16-17,19-20,25,27,29-32,35-39,41H,8,15,18,21-24,26H2,1-7,9-11H3,(H,54,65)(H,55,66)(H,56,63)(H,57,62)(H,58,64)(H,59,67)(H,68,69)(H4,51,52,53)/b20-19+,28-25+/t29-,30-,31-,32+,35-,36-,37+,38-,39-,41+/m0/s1
+CH$LINK: PUBCHEM CID:101643573
+CH$LINK: INCHIKEY PONFOSATPJORFV-AFQNMZSJSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 104-1049
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 16.045 min
+MS$FOCUSED_ION: BASE_PEAK 1007.5569
+MS$FOCUSED_ION: PRECURSOR_M/Z 1007.5571
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0f8i-1190002301-c67544a870df1cdda633
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  110.0244 C5H4NO2- 1 110.0248 -3.27
+  124.0402 C6H6NO2- 1 124.0404 -1.7
+  127.0512 C5H7N2O2- 1 127.0513 -0.92
+  128.0352 C5H6NO3- 1 128.0353 -1
+  129.103 C6H13N2O- 1 129.1033 -2.85
+  153.0664 C7H9N2O2- 1 153.067 -3.72
+  155.0819 C5H9N5O- 2 155.0813 4.27
+  200.1393 C7H16N6O- 1 200.1391 0.72
+  212.1386 C8H16N6O- 3 212.1391 -2.56
+  226.1182 C8H14N6O2- 1 226.1184 -0.64
+  240.1341 C9H16N6O2- 1 240.134 0.34
+  265.166 C12H25O6- 3 265.1657 1.18
+  266.1237 C8H18N4O6- 3 266.1232 2
+  283.1764 C13H23N4O3- 3 283.1776 -4.05
+  305.1609 C14H25O7- 3 305.1606 1
+  394.2086 C17H32NO9- 5 394.2083 0.86
+  445.2485 C26H31N5O2- 7 445.2483 0.36
+  536.3227 C28H40N8O3- 7 536.3229 -0.33
+  619.3236 C31H41N9O5- 9 619.3236 -0.09
+  651.3499 C48H45NO- 10 651.3507 -1.16
+  690.3635 C38H50N4O8- 11 690.3634 0.18
+  788.3977 C39H52N10O8- 8 788.3975 0.19
+  957.5189 C49H69N10O10- 1 957.5204 -1.49
+  989.5456 C50H73N10O11- 1 989.5466 -0.95
+  1007.5569 C50H75N10O12- 1 1007.5571 -0.23
+PK$NUM_PEAK: 25
+PK$PEAK: m/z int. rel.int.
+  110.0244 51243.9 39
+  124.0402 209091.7 160
+  127.0512 117799.6 90
+  128.0352 31931.9 24
+  129.103 28358.4 21
+  153.0664 79136.3 60
+  155.0819 33932.7 25
+  200.1393 553036.4 423
+  212.1386 75632.8 57
+  226.1182 129197.3 98
+  240.1341 96574.1 73
+  265.166 409709.9 313
+  266.1237 146458.4 112
+  283.1764 1305093.1 999
+  305.1609 32951.9 25
+  394.2086 249659 191
+  445.2485 77721.6 59
+  536.3227 140439.4 107
+  619.3236 94677.6 72
+  651.3499 255547 195
+  690.3635 335591.1 256
+  788.3977 1038996 795
+  957.5189 209913 160
+  989.5456 236328 180
+  1007.5569 386385.9 295
+//
diff --git a/Eawag/MSBNK-EAWAG-ED187755.txt b/Eawag/MSBNK-EAWAG-ED187755.txt
new file mode 100644
index 0000000000..5b6a16d6d0
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED187755.txt
@@ -0,0 +1,103 @@
+ACCESSION: MSBNK-EAWAG-ED187755
+RECORD_TITLE: [D-MeO-Glu6]MC-LR; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: http://dx.doi.org/10.1016/j.toxicon.2013.03.016
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1877
+CH$NAME: [D-MeO-Glu6]MC-LR
+CH$NAME: [D-Glu(OMe)6]MC-LR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-22-methoxycarbonyl-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11-carboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C50H76N10O12
+CH$EXACT_MASS: 1008.564418
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)OC)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C50H76N10O12/c1-27(2)24-38-47(67)59-41(48(68)69)31(6)43(63)56-36(18-15-23-53-50(51)52)46(66)55-35(20-19-28(3)25-29(4)39(71-10)26-34-16-13-12-14-17-34)30(5)42(62)57-37(49(70)72-11)21-22-40(61)60(9)33(8)45(65)54-32(7)44(64)58-38/h12-14,16-17,19-20,25,27,29-32,35-39,41H,8,15,18,21-24,26H2,1-7,9-11H3,(H,54,65)(H,55,66)(H,56,63)(H,57,62)(H,58,64)(H,59,67)(H,68,69)(H4,51,52,53)/b20-19+,28-25+/t29-,30-,31-,32+,35-,36-,37+,38-,39-,41+/m0/s1
+CH$LINK: PUBCHEM CID:101643573
+CH$LINK: INCHIKEY PONFOSATPJORFV-AFQNMZSJSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 104-1049
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 16.045 min
+MS$FOCUSED_ION: BASE_PEAK 1007.5569
+MS$FOCUSED_ION: PRECURSOR_M/Z 1007.5571
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0gc0-0790000000-f10d163c5ec432b8af34
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  110.0247 C5H4NO2- 1 110.0248 -0.57
+  112.0404 C5H6NO2- 1 112.0404 -0.18
+  124.0402 C6H6NO2- 1 124.0404 -1.33
+  127.0512 C5H7N2O2- 1 127.0513 -0.5
+  128.0352 C5H6NO3- 1 128.0353 -1.23
+  129.1032 C6H13N2O- 1 129.1033 -1.08
+  131.0866 C10H11- 1 131.0866 -0.28
+  138.056 C7H8NO2- 1 138.0561 -0.57
+  139.0873 C7H11N2O- 1 139.0877 -2.8
+  141.0666 C6H9N2O2- 1 141.067 -2.47
+  142.0505 C6H8NO3- 1 142.051 -3.35
+  153.0664 C7H9N2O2- 2 153.067 -3.92
+  155.0813 C5H9N5O- 1 155.0813 0.23
+  163.0873 C9H11N2O- 1 163.0877 -2.66
+  165.1026 C7H11N5- 2 165.102 3.55
+  177.0665 C9H9N2O2- 2 177.067 -2.78
+  181.0968 C7H11N5O- 1 181.0969 -0.82
+  182.1285 C7H14N6- 1 182.1285 -0.14
+  183.1128 C7H13N5O- 1 183.1126 1.26
+  200.1394 C7H16N6O- 1 200.1391 1.26
+  206.0919 C8H10N6O- 1 206.0922 -1.19
+  207.0769 C8H9N5O2- 2 207.0762 3.68
+  210.0878 C7H10N6O2- 2 210.0871 3.66
+  225.0867 C8H11N5O3- 1 225.0867 -0.22
+  226.1189 C8H14N6O2- 2 226.1184 2.53
+  240.1337 C9H16N6O2- 3 240.134 -1.38
+  248.1139 C9H12N8O- 2 248.114 -0.02
+  265.1657 C12H25O6- 2 265.1657 0.03
+  283.1764 C13H23N4O3- 3 283.1776 -4.16
+  536.3223 C28H40N8O3- 8 536.3229 -1.01
+PK$NUM_PEAK: 30
+PK$PEAK: m/z int. rel.int.
+  110.0247 219592.8 250
+  112.0404 122091.5 139
+  124.0402 253438.1 288
+  127.0512 204017.9 232
+  128.0352 44759.1 50
+  129.1032 125791.5 143
+  131.0866 28712.1 32
+  138.056 25294.5 28
+  139.0873 87957 100
+  141.0666 37933.2 43
+  142.0505 94600.4 107
+  153.0664 167574.6 190
+  155.0813 94840.4 108
+  163.0873 21466.1 24
+  165.1026 179122.2 203
+  177.0665 33702.8 38
+  181.0968 90829 103
+  182.1285 128394.8 146
+  183.1128 63679.5 72
+  200.1394 616261.2 701
+  206.0919 78555.1 89
+  207.0769 31943.9 36
+  210.0878 18640.6 21
+  225.0867 23925 27
+  226.1189 132173.8 150
+  240.1337 55500.1 63
+  248.1139 98430.2 112
+  265.1657 877203.2 999
+  283.1764 577779.6 658
+  536.3223 86848.8 98
+//
diff --git a/Eawag/MSBNK-EAWAG-ED187756.txt b/Eawag/MSBNK-EAWAG-ED187756.txt
new file mode 100644
index 0000000000..bb91c5ac28
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED187756.txt
@@ -0,0 +1,99 @@
+ACCESSION: MSBNK-EAWAG-ED187756
+RECORD_TITLE: [D-MeO-Glu6]MC-LR; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: http://dx.doi.org/10.1016/j.toxicon.2013.03.016
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1877
+CH$NAME: [D-MeO-Glu6]MC-LR
+CH$NAME: [D-Glu(OMe)6]MC-LR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-22-methoxycarbonyl-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11-carboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C50H76N10O12
+CH$EXACT_MASS: 1008.564418
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)OC)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C50H76N10O12/c1-27(2)24-38-47(67)59-41(48(68)69)31(6)43(63)56-36(18-15-23-53-50(51)52)46(66)55-35(20-19-28(3)25-29(4)39(71-10)26-34-16-13-12-14-17-34)30(5)42(62)57-37(49(70)72-11)21-22-40(61)60(9)33(8)45(65)54-32(7)44(64)58-38/h12-14,16-17,19-20,25,27,29-32,35-39,41H,8,15,18,21-24,26H2,1-7,9-11H3,(H,54,65)(H,55,66)(H,56,63)(H,57,62)(H,58,64)(H,59,67)(H,68,69)(H4,51,52,53)/b20-19+,28-25+/t29-,30-,31-,32+,35-,36-,37+,38-,39-,41+/m0/s1
+CH$LINK: PUBCHEM CID:101643573
+CH$LINK: INCHIKEY PONFOSATPJORFV-AFQNMZSJSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 104-1049
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 16.045 min
+MS$FOCUSED_ION: BASE_PEAK 1007.5569
+MS$FOCUSED_ION: PRECURSOR_M/Z 1007.5571
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0w59-0920000000-c423d842421615a4de06
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  110.0247 C5H4NO2- 1 110.0248 -0.57
+  112.0405 C5H6NO2- 1 112.0404 0.7
+  113.0355 C4H5N2O2- 1 113.0357 -0.99
+  124.0403 C6H6NO2- 1 124.0404 -1.03
+  125.072 C6H9N2O- 1 125.072 -0.32
+  127.0513 C5H7N2O2- 1 127.0513 -0.14
+  128.0353 C5H6NO3- 1 128.0353 -0.04
+  129.1033 C6H13N2O- 1 129.1033 -0.14
+  131.0866 C10H11- 1 131.0866 -0.52
+  138.0437 C6H6N2O2- 1 138.0435 1.67
+  139.0873 C7H11N2O- 1 139.0877 -2.8
+  153.0664 C7H9N2O2- 2 153.067 -3.82
+  155.082 C7H11N2O2- 2 155.0826 -4
+  163.0873 C9H11N2O- 1 163.0877 -2.47
+  165.1026 C7H11N5- 2 165.102 3.45
+  168.1136 C8H14N3O- 2 168.1142 -3.83
+  180.1149 C9H14N3O- 2 180.1142 3.6
+  181.0972 C7H11N5O- 1 181.0969 1.63
+  182.1288 C7H14N6- 1 182.1285 1.53
+  183.1134 C7H13N5O- 2 183.1126 4.42
+  198.1234 C7H14N6O- 1 198.1235 -0.5
+  200.1394 C7H16N6O- 1 200.1391 1.56
+  206.0922 C8H10N6O- 1 206.0922 0.07
+  207.0764 C8H9N5O2- 1 207.0762 0.95
+  208.1085 C10H14N3O2- 2 208.1092 -2.98
+  226.119 C8H14N6O2- 2 226.1184 2.94
+  283.1769 C13H23N4O3- 3 283.1776 -2.32
+  338.2231 C6H34N4O11- 6 338.223 0.43
+PK$NUM_PEAK: 28
+PK$PEAK: m/z int. rel.int.
+  110.0247 310557.1 831
+  112.0405 140147 375
+  113.0355 39452.1 105
+  124.0403 171204.7 458
+  125.072 21614.4 57
+  127.0513 137483.6 368
+  128.0353 40033.9 107
+  129.1033 196599.9 526
+  131.0866 39246.1 105
+  138.0437 17866.3 47
+  139.0873 108038.9 289
+  153.0664 163570 438
+  155.082 119519.9 320
+  163.0873 25990.9 69
+  165.1026 250040.6 669
+  168.1136 29342.3 78
+  180.1149 166531.8 446
+  181.0972 126773.9 339
+  182.1288 266527.4 713
+  183.1134 71663.3 191
+  198.1234 102780.9 275
+  200.1394 372950 999
+  206.0922 60938.4 163
+  207.0764 20327.4 54
+  208.1085 60030.4 160
+  226.119 57161.5 153
+  283.1769 87725.7 234
+  338.2231 72967.1 195
+//
diff --git a/Eawag/MSBNK-EAWAG-ED187757.txt b/Eawag/MSBNK-EAWAG-ED187757.txt
new file mode 100644
index 0000000000..32e0f7d361
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED187757.txt
@@ -0,0 +1,89 @@
+ACCESSION: MSBNK-EAWAG-ED187757
+RECORD_TITLE: [D-MeO-Glu6]MC-LR; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: http://dx.doi.org/10.1016/j.toxicon.2013.03.016
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1877
+CH$NAME: [D-MeO-Glu6]MC-LR
+CH$NAME: [D-Glu(OMe)6]MC-LR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-22-methoxycarbonyl-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11-carboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C50H76N10O12
+CH$EXACT_MASS: 1008.564418
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)OC)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C50H76N10O12/c1-27(2)24-38-47(67)59-41(48(68)69)31(6)43(63)56-36(18-15-23-53-50(51)52)46(66)55-35(20-19-28(3)25-29(4)39(71-10)26-34-16-13-12-14-17-34)30(5)42(62)57-37(49(70)72-11)21-22-40(61)60(9)33(8)45(65)54-32(7)44(64)58-38/h12-14,16-17,19-20,25,27,29-32,35-39,41H,8,15,18,21-24,26H2,1-7,9-11H3,(H,54,65)(H,55,66)(H,56,63)(H,57,62)(H,58,64)(H,59,67)(H,68,69)(H4,51,52,53)/b20-19+,28-25+/t29-,30-,31-,32+,35-,36-,37+,38-,39-,41+/m0/s1
+CH$LINK: PUBCHEM CID:101643573
+CH$LINK: INCHIKEY PONFOSATPJORFV-AFQNMZSJSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 104-1049
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 16.045 min
+MS$FOCUSED_ION: BASE_PEAK 1007.5569
+MS$FOCUSED_ION: PRECURSOR_M/Z 1007.5571
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0gx0-0900000000-46318d87639b8fe6b1e0
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  109.0408 C5H5N2O- 1 109.0407 0.14
+  110.0247 C5H4NO2- 1 110.0248 -0.43
+  112.0403 C5H6NO2- 1 112.0404 -0.8
+  113.0358 C4H5N2O2- 1 113.0357 0.9
+  124.0404 C6H6NO2- 1 124.0404 -0.41
+  127.0511 C5H7N2O2- 1 127.0513 -1.52
+  128.0353 C5H6NO3- 1 128.0353 -0.28
+  129.1032 C6H13N2O- 1 129.1033 -0.73
+  136.113 C9H14N- 1 136.1132 -1.5
+  138.0429 C6H6N2O2- 1 138.0435 -4.52
+  139.0874 C7H11N2O- 1 139.0877 -1.7
+  153.0665 C7H9N2O2- 1 153.067 -3.22
+  155.0821 C7H11N2O2- 1 155.0826 -3.31
+  163.0873 C9H11N2O- 1 163.0877 -2.66
+  165.1025 C7H11N5- 2 165.102 3.27
+  168.1136 C8H14N3O- 2 168.1142 -3.74
+  170.0933 C7H12N3O2- 1 170.0935 -1.06
+  180.1136 C9H14N3O- 2 180.1142 -3.34
+  181.0973 C7H11N5O- 1 181.0969 2.05
+  182.129 C7H14N6- 2 182.1285 2.54
+  183.113 C7H13N5O- 1 183.1126 2.17
+  198.1234 C7H14N6O- 1 198.1235 -0.27
+  200.1395 C7H16N6O- 2 200.1391 2.02
+PK$NUM_PEAK: 23
+PK$PEAK: m/z int. rel.int.
+  109.0408 38840.6 117
+  110.0247 328932.8 999
+  112.0403 131564.6 399
+  113.0358 40486.3 122
+  124.0404 116850 354
+  127.0511 91158.9 276
+  128.0353 30838.9 93
+  129.1032 194143.6 589
+  136.113 53540.6 162
+  138.0429 22365.7 67
+  139.0874 118113.3 358
+  153.0665 101719.6 308
+  155.0821 77612.2 235
+  163.0873 23150.3 70
+  165.1025 184519.9 560
+  168.1136 30755.8 93
+  170.0933 22109.6 67
+  180.1136 177132 537
+  181.0973 101151.6 307
+  182.129 297006.7 902
+  183.113 53013.6 161
+  198.1234 60067.1 182
+  200.1395 148890.5 452
+//
diff --git a/Eawag/MSBNK-EAWAG-ED187758.txt b/Eawag/MSBNK-EAWAG-ED187758.txt
new file mode 100644
index 0000000000..c13685de61
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED187758.txt
@@ -0,0 +1,75 @@
+ACCESSION: MSBNK-EAWAG-ED187758
+RECORD_TITLE: [D-MeO-Glu6]MC-LR; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: http://dx.doi.org/10.1016/j.toxicon.2013.03.016
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1877
+CH$NAME: [D-MeO-Glu6]MC-LR
+CH$NAME: [D-Glu(OMe)6]MC-LR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-22-methoxycarbonyl-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11-carboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C50H76N10O12
+CH$EXACT_MASS: 1008.564418
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)OC)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C50H76N10O12/c1-27(2)24-38-47(67)59-41(48(68)69)31(6)43(63)56-36(18-15-23-53-50(51)52)46(66)55-35(20-19-28(3)25-29(4)39(71-10)26-34-16-13-12-14-17-34)30(5)42(62)57-37(49(70)72-11)21-22-40(61)60(9)33(8)45(65)54-32(7)44(64)58-38/h12-14,16-17,19-20,25,27,29-32,35-39,41H,8,15,18,21-24,26H2,1-7,9-11H3,(H,54,65)(H,55,66)(H,56,63)(H,57,62)(H,58,64)(H,59,67)(H,68,69)(H4,51,52,53)/b20-19+,28-25+/t29-,30-,31-,32+,35-,36-,37+,38-,39-,41+/m0/s1
+CH$LINK: PUBCHEM CID:101643573
+CH$LINK: INCHIKEY PONFOSATPJORFV-AFQNMZSJSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 104-1049
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 16.045 min
+MS$FOCUSED_ION: BASE_PEAK 1007.5569
+MS$FOCUSED_ION: PRECURSOR_M/Z 1007.5571
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-01q9-0900000000-cd2fb24632b91edd0567
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  109.0408 C5H5N2O- 1 109.0407 0.91
+  110.0246 C5H4NO2- 1 110.0248 -0.98
+  112.0404 C5H6NO2- 1 112.0404 -0.39
+  112.0768 C6H10NO- 1 112.0768 -0.12
+  113.0355 C4H5N2O2- 1 113.0357 -1.74
+  124.0401 C6H6NO2- 1 124.0404 -2.62
+  127.0514 C5H7N2O2- 1 127.0513 0.94
+  129.1032 C6H13N2O- 1 129.1033 -1.2
+  136.113 C9H14N- 1 136.1132 -1.39
+  138.0432 C6H6N2O2- 1 138.0435 -1.76
+  139.0872 C7H11N2O- 1 139.0877 -3.24
+  153.1032 C8H13N2O- 1 153.1033 -0.79
+  180.1135 C9H14N3O- 2 180.1142 -3.94
+  181.0973 C7H11N5O- 1 181.0969 1.96
+  182.129 C7H14N6- 1 182.1285 2.37
+  200.1389 C7H16N6O- 1 200.1391 -0.88
+PK$NUM_PEAK: 16
+PK$PEAK: m/z int. rel.int.
+  109.0408 34177.3 148
+  110.0246 229697.4 999
+  112.0404 88802.6 386
+  112.0768 20415.6 88
+  113.0355 16266.3 70
+  124.0401 75618.5 328
+  127.0514 47222 205
+  129.1032 131627.3 572
+  136.113 24477.5 106
+  138.0432 23941.7 104
+  139.0872 60615.1 263
+  153.1032 22293 96
+  180.1135 91672.5 398
+  181.0973 65390.7 284
+  182.129 203144.9 883
+  200.1389 50169.2 218
+//
diff --git a/Eawag/MSBNK-EAWAG-ED187901.txt b/Eawag/MSBNK-EAWAG-ED187901.txt
new file mode 100644
index 0000000000..4fe829423f
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED187901.txt
@@ -0,0 +1,45 @@
+ACCESSION: MSBNK-EAWAG-ED187901
+RECORD_TITLE: MC-HilR; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1879
+CH$NAME: MC-HilR
+CH$NAME: Microcystin HilR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-8-[(2S)-2-methylbutyl]-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C50H76N10O12
+CH$EXACT_MASS: 1008.564418
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](C[C@@H](C)CC)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C50H76N10O12/c1-11-27(2)25-38-47(67)59-41(49(70)71)31(6)43(63)56-36(18-15-23-53-50(51)52)46(66)55-35(20-19-28(3)24-29(4)39(72-10)26-34-16-13-12-14-17-34)30(5)42(62)57-37(48(68)69)21-22-40(61)60(9)33(8)45(65)54-32(7)44(64)58-38/h12-14,16-17,19-20,24,27,29-32,35-39,41H,8,11,15,18,21-23,25-26H2,1-7,9-10H3,(H,54,65)(H,55,66)(H,56,63)(H,57,62)(H,58,64)(H,59,67)(H,68,69)(H,70,71)(H4,51,52,53)/b20-19+,28-24+/t27-,29-,30-,31-,32+,35-,36-,37+,38-,39-,41+/m0/s1
+CH$LINK: PUBCHEM CID:10486193
+CH$LINK: INCHIKEY PJPFCNPJHGMQBK-GHDNJWGDSA-N
+CH$LINK: CHEMSPIDER 8661598
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 105-1051
+AC$CHROMATOGRAPHY: COLUMN_NAME Acwuity UPLC HSS T3 1.8um, 3x100mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 85/15 at 0 min, 0/100 at 21 min, 0/100 at 25 min, 2/98 at 25.1 min, 2/98 at 31 min, 85/15 at 31.1 min, 85/15 at 33 min
+AC$CHROMATOGRAPHY: FLOW_RATE 300 uL/min at 0 min, 650 uL/min at 25.1 min, 300 uL/min at 31.1 min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.197 min
+MS$FOCUSED_ION: BASE_PEAK 505.2876
+MS$FOCUSED_ION: PRECURSOR_M/Z 1009.5717
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0a4i-9000000000-801f601b1afaa86d0113
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  1009.5706 C50H77N10O12+ 1 1009.5717 -1.05
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  1009.5706 9119354 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED187902.txt b/Eawag/MSBNK-EAWAG-ED187902.txt
new file mode 100644
index 0000000000..34c0fad6a5
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED187902.txt
@@ -0,0 +1,45 @@
+ACCESSION: MSBNK-EAWAG-ED187902
+RECORD_TITLE: MC-HilR; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1879
+CH$NAME: MC-HilR
+CH$NAME: Microcystin HilR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-8-[(2S)-2-methylbutyl]-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C50H76N10O12
+CH$EXACT_MASS: 1008.564418
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](C[C@@H](C)CC)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C50H76N10O12/c1-11-27(2)25-38-47(67)59-41(49(70)71)31(6)43(63)56-36(18-15-23-53-50(51)52)46(66)55-35(20-19-28(3)24-29(4)39(72-10)26-34-16-13-12-14-17-34)30(5)42(62)57-37(48(68)69)21-22-40(61)60(9)33(8)45(65)54-32(7)44(64)58-38/h12-14,16-17,19-20,24,27,29-32,35-39,41H,8,11,15,18,21-23,25-26H2,1-7,9-10H3,(H,54,65)(H,55,66)(H,56,63)(H,57,62)(H,58,64)(H,59,67)(H,68,69)(H,70,71)(H4,51,52,53)/b20-19+,28-24+/t27-,29-,30-,31-,32+,35-,36-,37+,38-,39-,41+/m0/s1
+CH$LINK: PUBCHEM CID:10486193
+CH$LINK: INCHIKEY PJPFCNPJHGMQBK-GHDNJWGDSA-N
+CH$LINK: CHEMSPIDER 8661598
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 105-1051
+AC$CHROMATOGRAPHY: COLUMN_NAME Acwuity UPLC HSS T3 1.8um, 3x100mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 85/15 at 0 min, 0/100 at 21 min, 0/100 at 25 min, 2/98 at 25.1 min, 2/98 at 31 min, 85/15 at 31.1 min, 85/15 at 33 min
+AC$CHROMATOGRAPHY: FLOW_RATE 300 uL/min at 0 min, 650 uL/min at 25.1 min, 300 uL/min at 31.1 min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.197 min
+MS$FOCUSED_ION: BASE_PEAK 505.2876
+MS$FOCUSED_ION: PRECURSOR_M/Z 1009.5717
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0a4i-9000000000-c92c38328eb0c2184dc4
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  1009.5717 C50H77N10O12+ 1 1009.5717 0.04
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  1009.5717 8998242 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED187903.txt b/Eawag/MSBNK-EAWAG-ED187903.txt
new file mode 100644
index 0000000000..53e5781f26
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED187903.txt
@@ -0,0 +1,45 @@
+ACCESSION: MSBNK-EAWAG-ED187903
+RECORD_TITLE: MC-HilR; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1879
+CH$NAME: MC-HilR
+CH$NAME: Microcystin HilR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-8-[(2S)-2-methylbutyl]-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C50H76N10O12
+CH$EXACT_MASS: 1008.564418
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](C[C@@H](C)CC)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C50H76N10O12/c1-11-27(2)25-38-47(67)59-41(49(70)71)31(6)43(63)56-36(18-15-23-53-50(51)52)46(66)55-35(20-19-28(3)24-29(4)39(72-10)26-34-16-13-12-14-17-34)30(5)42(62)57-37(48(68)69)21-22-40(61)60(9)33(8)45(65)54-32(7)44(64)58-38/h12-14,16-17,19-20,24,27,29-32,35-39,41H,8,11,15,18,21-23,25-26H2,1-7,9-10H3,(H,54,65)(H,55,66)(H,56,63)(H,57,62)(H,58,64)(H,59,67)(H,68,69)(H,70,71)(H4,51,52,53)/b20-19+,28-24+/t27-,29-,30-,31-,32+,35-,36-,37+,38-,39-,41+/m0/s1
+CH$LINK: PUBCHEM CID:10486193
+CH$LINK: INCHIKEY PJPFCNPJHGMQBK-GHDNJWGDSA-N
+CH$LINK: CHEMSPIDER 8661598
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 105-1051
+AC$CHROMATOGRAPHY: COLUMN_NAME Acwuity UPLC HSS T3 1.8um, 3x100mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 85/15 at 0 min, 0/100 at 21 min, 0/100 at 25 min, 2/98 at 25.1 min, 2/98 at 31 min, 85/15 at 31.1 min, 85/15 at 33 min
+AC$CHROMATOGRAPHY: FLOW_RATE 300 uL/min at 0 min, 650 uL/min at 25.1 min, 300 uL/min at 31.1 min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.197 min
+MS$FOCUSED_ION: BASE_PEAK 505.2876
+MS$FOCUSED_ION: PRECURSOR_M/Z 1009.5717
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0a4i-9000000000-b40538c0cf41ab29ed3c
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  1009.572 C50H77N10O12+ 1 1009.5717 0.28
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  1009.572 7941785.5 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED187904.txt b/Eawag/MSBNK-EAWAG-ED187904.txt
new file mode 100644
index 0000000000..01fb6984d4
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED187904.txt
@@ -0,0 +1,61 @@
+ACCESSION: MSBNK-EAWAG-ED187904
+RECORD_TITLE: MC-HilR; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1879
+CH$NAME: MC-HilR
+CH$NAME: Microcystin HilR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-8-[(2S)-2-methylbutyl]-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C50H76N10O12
+CH$EXACT_MASS: 1008.564418
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](C[C@@H](C)CC)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C50H76N10O12/c1-11-27(2)25-38-47(67)59-41(49(70)71)31(6)43(63)56-36(18-15-23-53-50(51)52)46(66)55-35(20-19-28(3)24-29(4)39(72-10)26-34-16-13-12-14-17-34)30(5)42(62)57-37(48(68)69)21-22-40(61)60(9)33(8)45(65)54-32(7)44(64)58-38/h12-14,16-17,19-20,24,27,29-32,35-39,41H,8,11,15,18,21-23,25-26H2,1-7,9-10H3,(H,54,65)(H,55,66)(H,56,63)(H,57,62)(H,58,64)(H,59,67)(H,68,69)(H,70,71)(H4,51,52,53)/b20-19+,28-24+/t27-,29-,30-,31-,32+,35-,36-,37+,38-,39-,41+/m0/s1
+CH$LINK: PUBCHEM CID:10486193
+CH$LINK: INCHIKEY PJPFCNPJHGMQBK-GHDNJWGDSA-N
+CH$LINK: CHEMSPIDER 8661598
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 105-1051
+AC$CHROMATOGRAPHY: COLUMN_NAME Acwuity UPLC HSS T3 1.8um, 3x100mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 85/15 at 0 min, 0/100 at 21 min, 0/100 at 25 min, 2/98 at 25.1 min, 2/98 at 31 min, 85/15 at 31.1 min, 85/15 at 33 min
+AC$CHROMATOGRAPHY: FLOW_RATE 300 uL/min at 0 min, 650 uL/min at 25.1 min, 300 uL/min at 31.1 min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.197 min
+MS$FOCUSED_ION: BASE_PEAK 505.2876
+MS$FOCUSED_ION: PRECURSOR_M/Z 1009.5717
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0a4i-9000000000-64be25df675f0fc1eecf
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  135.0803 C9H11O+ 1 135.0804 -1.27
+  163.1114 C11H15O+ 1 163.1117 -2.19
+  174.1344 C6H16N5O+ 3 174.1349 -2.96
+  375.1901 C18H25N5O4+ 7 375.1901 0
+  599.3551 C32H43N10O2+ 9 599.3565 -2.36
+  858.4708 C41H64N9O11+ 4 858.472 -1.38
+  981.5773 C49H77N10O11+ 1 981.5768 0.5
+  992.5441 C50H74N9O12+ 1 992.5451 -1.02
+  1009.5719 C50H77N10O12+ 1 1009.5717 0.16
+PK$NUM_PEAK: 9
+PK$PEAK: m/z int. rel.int.
+  135.0803 73047.3 17
+  163.1114 52508.4 12
+  174.1344 68057.1 16
+  375.1901 114685.5 27
+  599.3551 89350.6 21
+  858.4708 66662.2 15
+  981.5773 252274.7 60
+  992.5441 89012.3 21
+  1009.5719 4183352.2 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED187905.txt b/Eawag/MSBNK-EAWAG-ED187905.txt
new file mode 100644
index 0000000000..b6c2e7fbc4
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED187905.txt
@@ -0,0 +1,83 @@
+ACCESSION: MSBNK-EAWAG-ED187905
+RECORD_TITLE: MC-HilR; LC-ESI-QFT; MS2; CE: 35%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1879
+CH$NAME: MC-HilR
+CH$NAME: Microcystin HilR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-8-[(2S)-2-methylbutyl]-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C50H76N10O12
+CH$EXACT_MASS: 1008.564418
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](C[C@@H](C)CC)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C50H76N10O12/c1-11-27(2)25-38-47(67)59-41(49(70)71)31(6)43(63)56-36(18-15-23-53-50(51)52)46(66)55-35(20-19-28(3)24-29(4)39(72-10)26-34-16-13-12-14-17-34)30(5)42(62)57-37(48(68)69)21-22-40(61)60(9)33(8)45(65)54-32(7)44(64)58-38/h12-14,16-17,19-20,24,27,29-32,35-39,41H,8,11,15,18,21-23,25-26H2,1-7,9-10H3,(H,54,65)(H,55,66)(H,56,63)(H,57,62)(H,58,64)(H,59,67)(H,68,69)(H,70,71)(H4,51,52,53)/b20-19+,28-24+/t27-,29-,30-,31-,32+,35-,36-,37+,38-,39-,41+/m0/s1
+CH$LINK: PUBCHEM CID:10486193
+CH$LINK: INCHIKEY PJPFCNPJHGMQBK-GHDNJWGDSA-N
+CH$LINK: CHEMSPIDER 8661598
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 35 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 105-1051
+AC$CHROMATOGRAPHY: COLUMN_NAME Acwuity UPLC HSS T3 1.8um, 3x100mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 85/15 at 0 min, 0/100 at 21 min, 0/100 at 25 min, 2/98 at 25.1 min, 2/98 at 31 min, 85/15 at 31.1 min, 85/15 at 33 min
+AC$CHROMATOGRAPHY: FLOW_RATE 300 uL/min at 0 min, 650 uL/min at 25.1 min, 300 uL/min at 31.1 min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.197 min
+MS$FOCUSED_ION: BASE_PEAK 505.2876
+MS$FOCUSED_ION: PRECURSOR_M/Z 1009.5717
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0a4i-6931000001-d99f3cd0280539c868e8
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  107.0855 C8H11+ 1 107.0855 -0.5
+  112.0867 C5H10N3+ 1 112.0869 -1.6
+  127.0864 C6H11N2O+ 1 127.0866 -1.83
+  135.0805 C9H11O+ 1 135.0804 0.42
+  135.1168 C10H15+ 1 135.1168 0.13
+  155.0813 C7H11N2O2+ 1 155.0815 -1.58
+  156.1239 C6H14N5+ 1 156.1244 -2.95
+  157.1084 C6H13N4O+ 1 157.1084 0.26
+  163.1117 C11H15O+ 1 163.1117 -0.41
+  174.1347 C6H16N5O+ 1 174.1349 -1.29
+  195.0757 C9H11N2O3+ 2 195.0764 -3.75
+  200.1132 C6H18NO6+ 2 200.1129 1.53
+  213.0859 C7H11N5O3+ 1 213.0856 1.11
+  244.1278 C8H16N6O3+ 1 244.1278 -0.03
+  246.148 H26N2O12+ 3 246.148 -0.04
+  282.1811 C14H24N3O3+ 3 282.1812 -0.58
+  375.1899 C18H25N5O4+ 6 375.1901 -0.57
+  875.4973 C50H65N7O7+ 3 875.494 3.78
+  981.5783 C49H77N10O11+ 1 981.5768 1.56
+  1009.5718 C50H77N10O12+ 1 1009.5717 0.1
+PK$NUM_PEAK: 20
+PK$PEAK: m/z int. rel.int.
+  107.0855 89994.5 120
+  112.0867 59075.5 79
+  127.0864 56580.5 75
+  135.0805 248090 332
+  135.1168 87146.1 116
+  155.0813 104739.2 140
+  156.1239 32435.8 43
+  157.1084 67053.7 89
+  163.1117 122200 163
+  174.1347 115565 154
+  195.0757 26328.5 35
+  200.1132 68484.4 91
+  213.0859 179858.2 241
+  244.1278 32633.7 43
+  246.148 30118.5 40
+  282.1811 59982.6 80
+  375.1899 156667.9 210
+  875.4973 46736.3 62
+  981.5783 189353.6 253
+  1009.5718 745060.4 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED187906.txt b/Eawag/MSBNK-EAWAG-ED187906.txt
new file mode 100644
index 0000000000..17845a066d
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED187906.txt
@@ -0,0 +1,75 @@
+ACCESSION: MSBNK-EAWAG-ED187906
+RECORD_TITLE: MC-HilR; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1879
+CH$NAME: MC-HilR
+CH$NAME: Microcystin HilR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-8-[(2S)-2-methylbutyl]-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C50H76N10O12
+CH$EXACT_MASS: 1008.564418
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](C[C@@H](C)CC)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C50H76N10O12/c1-11-27(2)25-38-47(67)59-41(49(70)71)31(6)43(63)56-36(18-15-23-53-50(51)52)46(66)55-35(20-19-28(3)24-29(4)39(72-10)26-34-16-13-12-14-17-34)30(5)42(62)57-37(48(68)69)21-22-40(61)60(9)33(8)45(65)54-32(7)44(64)58-38/h12-14,16-17,19-20,24,27,29-32,35-39,41H,8,11,15,18,21-23,25-26H2,1-7,9-10H3,(H,54,65)(H,55,66)(H,56,63)(H,57,62)(H,58,64)(H,59,67)(H,68,69)(H,70,71)(H4,51,52,53)/b20-19+,28-24+/t27-,29-,30-,31-,32+,35-,36-,37+,38-,39-,41+/m0/s1
+CH$LINK: PUBCHEM CID:10486193
+CH$LINK: INCHIKEY PJPFCNPJHGMQBK-GHDNJWGDSA-N
+CH$LINK: CHEMSPIDER 8661598
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 105-1051
+AC$CHROMATOGRAPHY: COLUMN_NAME Acwuity UPLC HSS T3 1.8um, 3x100mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 85/15 at 0 min, 0/100 at 21 min, 0/100 at 25 min, 2/98 at 25.1 min, 2/98 at 31 min, 85/15 at 31.1 min, 85/15 at 33 min
+AC$CHROMATOGRAPHY: FLOW_RATE 300 uL/min at 0 min, 650 uL/min at 25.1 min, 300 uL/min at 31.1 min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.197 min
+MS$FOCUSED_ION: BASE_PEAK 505.2876
+MS$FOCUSED_ION: PRECURSOR_M/Z 1009.5717
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-06ri-0930000000-6d6a9d8f65bd050c341c
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  105.0702 C8H9+ 1 105.0699 2.67
+  107.0855 C8H11+ 1 107.0855 0.14
+  112.0869 C5H10N3+ 1 112.0869 -0.44
+  127.0866 C6H11N2O+ 1 127.0866 0.15
+  135.0805 C9H11O+ 1 135.0804 0.08
+  135.1168 C10H15+ 1 135.1168 -0.09
+  155.0815 C7H11N2O2+ 1 155.0815 0.19
+  157.1086 C6H13N4O+ 1 157.1084 1.43
+  174.1347 C6H16N5O+ 1 174.1349 -1.64
+  200.1135 C6H18NO6+ 3 200.1129 3.05
+  201.0978 C6H17O7+ 3 201.0969 4.43
+  213.0861 C7H11N5O3+ 2 213.0856 2.11
+  226.1175 C8H14N6O2+ 1 226.1173 0.92
+  282.1814 C14H24N3O3+ 3 282.1812 0.6
+  285.1662 C10H25N2O7+ 3 285.1656 2.16
+  286.1502 C10H24NO8+ 3 286.1496 1.91
+PK$NUM_PEAK: 16
+PK$PEAK: m/z int. rel.int.
+  105.0702 61891.6 133
+  107.0855 157512.4 340
+  112.0869 105038.8 226
+  127.0866 129740.2 280
+  135.0805 462648.6 999
+  135.1168 147654.6 318
+  155.0815 155638.8 336
+  157.1086 94559.7 204
+  174.1347 101738.5 219
+  200.1135 130454.7 281
+  201.0978 26597 57
+  213.0861 231306.8 499
+  226.1175 41517 89
+  282.1814 35058.5 75
+  285.1662 62411.7 134
+  286.1502 62278.7 134
+//
diff --git a/Eawag/MSBNK-EAWAG-ED187907.txt b/Eawag/MSBNK-EAWAG-ED187907.txt
new file mode 100644
index 0000000000..b8dcf5b1fd
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED187907.txt
@@ -0,0 +1,79 @@
+ACCESSION: MSBNK-EAWAG-ED187907
+RECORD_TITLE: MC-HilR; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1879
+CH$NAME: MC-HilR
+CH$NAME: Microcystin HilR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-8-[(2S)-2-methylbutyl]-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C50H76N10O12
+CH$EXACT_MASS: 1008.564418
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](C[C@@H](C)CC)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C50H76N10O12/c1-11-27(2)25-38-47(67)59-41(49(70)71)31(6)43(63)56-36(18-15-23-53-50(51)52)46(66)55-35(20-19-28(3)24-29(4)39(72-10)26-34-16-13-12-14-17-34)30(5)42(62)57-37(48(68)69)21-22-40(61)60(9)33(8)45(65)54-32(7)44(64)58-38/h12-14,16-17,19-20,24,27,29-32,35-39,41H,8,11,15,18,21-23,25-26H2,1-7,9-10H3,(H,54,65)(H,55,66)(H,56,63)(H,57,62)(H,58,64)(H,59,67)(H,68,69)(H,70,71)(H4,51,52,53)/b20-19+,28-24+/t27-,29-,30-,31-,32+,35-,36-,37+,38-,39-,41+/m0/s1
+CH$LINK: PUBCHEM CID:10486193
+CH$LINK: INCHIKEY PJPFCNPJHGMQBK-GHDNJWGDSA-N
+CH$LINK: CHEMSPIDER 8661598
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 105-1051
+AC$CHROMATOGRAPHY: COLUMN_NAME Acwuity UPLC HSS T3 1.8um, 3x100mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 85/15 at 0 min, 0/100 at 21 min, 0/100 at 25 min, 2/98 at 25.1 min, 2/98 at 31 min, 85/15 at 31.1 min, 85/15 at 33 min
+AC$CHROMATOGRAPHY: FLOW_RATE 300 uL/min at 0 min, 650 uL/min at 25.1 min, 300 uL/min at 31.1 min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.197 min
+MS$FOCUSED_ION: BASE_PEAK 505.2876
+MS$FOCUSED_ION: PRECURSOR_M/Z 1009.5717
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-06ri-0900000000-1e35a4aee9f2ab8c6cc1
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  105.07 C8H9+ 1 105.0699 1.21
+  107.0855 C8H11+ 1 107.0855 0.21
+  112.087 C5H10N3+ 1 112.0869 0.38
+  115.0866 C5H11N2O+ 1 115.0866 0.16
+  117.0696 C9H9+ 1 117.0699 -1.95
+  127.0865 C6H11N2O+ 1 127.0866 -0.51
+  135.0805 C9H11O+ 1 135.0804 0.08
+  135.1168 C10H15+ 1 135.1168 -0.55
+  140.0823 C6H10N3O+ 1 140.0818 3.28
+  141.0661 C6H9N2O2+ 1 141.0659 2
+  155.0813 C7H11N2O2+ 1 155.0815 -1.38
+  157.1086 C6H13N4O+ 1 157.1084 1.23
+  163.1118 C11H15O+ 1 163.1117 0.06
+  174.1351 C6H16N5O+ 1 174.1349 1.16
+  195.0755 C9H11N2O3+ 2 195.0764 -4.61
+  213.0861 C7H11N5O3+ 2 213.0856 2.32
+  226.1182 C8H14N6O2+ 2 226.1173 4.29
+  269.1221 C9H15N7O3+ 4 269.1231 -3.76
+PK$NUM_PEAK: 18
+PK$PEAK: m/z int. rel.int.
+  105.07 129478.6 247
+  107.0855 270186.6 515
+  112.087 127003.5 242
+  115.0866 63461.1 121
+  117.0696 72970.1 139
+  127.0865 261348.6 498
+  135.0805 523456.7 999
+  135.1168 185200.5 353
+  140.0823 42867.2 81
+  141.0661 42087 80
+  155.0813 140312 267
+  157.1086 71222.3 135
+  163.1118 90459.1 172
+  174.1351 59370.2 113
+  195.0755 47638.8 90
+  213.0861 170271.7 324
+  226.1182 40378.6 77
+  269.1221 21948.4 41
+//
diff --git a/Eawag/MSBNK-EAWAG-ED187908.txt b/Eawag/MSBNK-EAWAG-ED187908.txt
new file mode 100644
index 0000000000..f078b7017e
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED187908.txt
@@ -0,0 +1,67 @@
+ACCESSION: MSBNK-EAWAG-ED187908
+RECORD_TITLE: MC-HilR; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1879
+CH$NAME: MC-HilR
+CH$NAME: Microcystin HilR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-8-[(2S)-2-methylbutyl]-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C50H76N10O12
+CH$EXACT_MASS: 1008.564418
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](C[C@@H](C)CC)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C50H76N10O12/c1-11-27(2)25-38-47(67)59-41(49(70)71)31(6)43(63)56-36(18-15-23-53-50(51)52)46(66)55-35(20-19-28(3)24-29(4)39(72-10)26-34-16-13-12-14-17-34)30(5)42(62)57-37(48(68)69)21-22-40(61)60(9)33(8)45(65)54-32(7)44(64)58-38/h12-14,16-17,19-20,24,27,29-32,35-39,41H,8,11,15,18,21-23,25-26H2,1-7,9-10H3,(H,54,65)(H,55,66)(H,56,63)(H,57,62)(H,58,64)(H,59,67)(H,68,69)(H,70,71)(H4,51,52,53)/b20-19+,28-24+/t27-,29-,30-,31-,32+,35-,36-,37+,38-,39-,41+/m0/s1
+CH$LINK: PUBCHEM CID:10486193
+CH$LINK: INCHIKEY PJPFCNPJHGMQBK-GHDNJWGDSA-N
+CH$LINK: CHEMSPIDER 8661598
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 105-1051
+AC$CHROMATOGRAPHY: COLUMN_NAME Acwuity UPLC HSS T3 1.8um, 3x100mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 85/15 at 0 min, 0/100 at 21 min, 0/100 at 25 min, 2/98 at 25.1 min, 2/98 at 31 min, 85/15 at 31.1 min, 85/15 at 33 min
+AC$CHROMATOGRAPHY: FLOW_RATE 300 uL/min at 0 min, 650 uL/min at 25.1 min, 300 uL/min at 31.1 min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.197 min
+MS$FOCUSED_ION: BASE_PEAK 505.2876
+MS$FOCUSED_ION: PRECURSOR_M/Z 1009.5717
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0550-0900000000-cda40d0a6b54332750e0
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  105.0699 C8H9+ 1 105.0699 -0.24
+  107.0855 C8H11+ 1 107.0855 0
+  112.0869 C5H10N3+ 1 112.0869 0.17
+  115.0864 C5H11N2O+ 1 115.0866 -1.23
+  117.0698 C9H9+ 1 117.0699 -0.91
+  127.0866 C6H11N2O+ 1 127.0866 -0.21
+  135.0805 C9H11O+ 1 135.0804 0.08
+  135.1166 C10H15+ 1 135.1168 -1.45
+  141.0657 C6H9N2O2+ 1 141.0659 -1.25
+  167.0815 C8H11N2O2+ 1 167.0815 -0.26
+  200.113 C6H18NO6+ 2 200.1129 0.76
+  213.0862 C7H11N5O3+ 2 213.0856 2.47
+PK$NUM_PEAK: 12
+PK$PEAK: m/z int. rel.int.
+  105.0699 201255.4 547
+  107.0855 287343.7 781
+  112.0869 109281.4 297
+  115.0864 53473.6 145
+  117.0698 96100.3 261
+  127.0866 308001.7 837
+  135.0805 367415.9 999
+  135.1166 132075.6 359
+  141.0657 59101.6 160
+  167.0815 57656.5 156
+  200.113 36907.1 100
+  213.0862 89123.1 242
+//
diff --git a/Eawag/MSBNK-EAWAG-ED187909.txt b/Eawag/MSBNK-EAWAG-ED187909.txt
new file mode 100644
index 0000000000..21e6c23a49
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED187909.txt
@@ -0,0 +1,63 @@
+ACCESSION: MSBNK-EAWAG-ED187909
+RECORD_TITLE: MC-HilR; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1879
+CH$NAME: MC-HilR
+CH$NAME: Microcystin HilR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-8-[(2S)-2-methylbutyl]-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C50H76N10O12
+CH$EXACT_MASS: 1008.564418
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](C[C@@H](C)CC)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C50H76N10O12/c1-11-27(2)25-38-47(67)59-41(49(70)71)31(6)43(63)56-36(18-15-23-53-50(51)52)46(66)55-35(20-19-28(3)24-29(4)39(72-10)26-34-16-13-12-14-17-34)30(5)42(62)57-37(48(68)69)21-22-40(61)60(9)33(8)45(65)54-32(7)44(64)58-38/h12-14,16-17,19-20,24,27,29-32,35-39,41H,8,11,15,18,21-23,25-26H2,1-7,9-10H3,(H,54,65)(H,55,66)(H,56,63)(H,57,62)(H,58,64)(H,59,67)(H,68,69)(H,70,71)(H4,51,52,53)/b20-19+,28-24+/t27-,29-,30-,31-,32+,35-,36-,37+,38-,39-,41+/m0/s1
+CH$LINK: PUBCHEM CID:10486193
+CH$LINK: INCHIKEY PJPFCNPJHGMQBK-GHDNJWGDSA-N
+CH$LINK: CHEMSPIDER 8661598
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 105-1051
+AC$CHROMATOGRAPHY: COLUMN_NAME Acwuity UPLC HSS T3 1.8um, 3x100mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 85/15 at 0 min, 0/100 at 21 min, 0/100 at 25 min, 2/98 at 25.1 min, 2/98 at 31 min, 85/15 at 31.1 min, 85/15 at 33 min
+AC$CHROMATOGRAPHY: FLOW_RATE 300 uL/min at 0 min, 650 uL/min at 25.1 min, 300 uL/min at 31.1 min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.197 min
+MS$FOCUSED_ION: BASE_PEAK 505.2876
+MS$FOCUSED_ION: PRECURSOR_M/Z 1009.5717
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0ar9-0900000000-6dcc1290958931bf0387
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  105.0699 C8H9+ 1 105.0699 -0.16
+  107.0855 C8H11+ 1 107.0855 -0.21
+  112.087 C5H10N3+ 1 112.0869 1.13
+  115.0544 C9H7+ 1 115.0542 1.35
+  115.0866 C5H11N2O+ 1 115.0866 0.36
+  117.07 C9H9+ 1 117.0699 0.98
+  127.0867 C6H11N2O+ 1 127.0866 0.69
+  135.0804 C9H11O+ 1 135.0804 -0.14
+  135.1164 C10H15+ 1 135.1168 -3.26
+  167.0812 C8H11N2O2+ 1 167.0815 -1.9
+PK$NUM_PEAK: 10
+PK$PEAK: m/z int. rel.int.
+  105.0699 236062.5 933
+  107.0855 219088 866
+  112.087 83954.1 331
+  115.0544 52577.2 207
+  115.0866 54996.9 217
+  117.07 89177.4 352
+  127.0867 252705.5 999
+  135.0804 195669.3 773
+  135.1164 62402.8 246
+  167.0812 60977.2 241
+//
diff --git a/Eawag/MSBNK-EAWAG-ED189401.txt b/Eawag/MSBNK-EAWAG-ED189401.txt
new file mode 100644
index 0000000000..134231cca3
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED189401.txt
@@ -0,0 +1,83 @@
+ACCESSION: MSBNK-EAWAG-ED189401
+RECORD_TITLE: MC-LA; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 1
+COMMENT: CyanoMetDB_ID 1894
+CH$NAME: MC-LA
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-8-isobutyl-18-((1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl)-1,5,12,15,19-pentamethyl-2-methylene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptaazacyclopentacosane-11,22-dicarboxylic acid
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,15,19-pentamethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C46H67N7O12
+CH$EXACT_MASS: 909.4847706
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](C)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C46H67N7O12/c1-24(2)21-35-44(60)52-38(46(63)64)28(6)40(56)47-29(7)41(57)49-33(18-17-25(3)22-26(4)36(65-11)23-32-15-13-12-14-16-32)27(5)39(55)50-34(45(61)62)19-20-37(54)53(10)31(9)43(59)48-30(8)42(58)51-35/h12-18,22,24,26-30,33-36,38H,9,19-21,23H2,1-8,10-11H3,(H,47,56)(H,48,59)(H,49,57)(H,50,55)(H,51,58)(H,52,60)(H,61,62)(H,63,64)/b18-17+,25-22+/t26-,27-,28-,29-,30+,33-,34+,35-,36-,38+/m0/s1
+CH$LINK: CAS 96180-79-9
+CH$LINK: CHEBI 191135
+CH$LINK: PUBCHEM CID:6437382
+CH$LINK: INCHIKEY DIAQQISRBBDJIM-DRSCAGMXSA-N
+CH$LINK: CHEMSPIDER 4941946
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 94-950
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.312 min
+MS$FOCUSED_ION: BASE_PEAK 910.4914
+MS$FOCUSED_ION: PRECURSOR_M/Z 910.492
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-08i0-0001320916-aa452626a2e1c432ff92
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  163.1118 C11H15O+ 1 163.1117 0.43
+  258.1845 C2H30N2O11+ 4 258.1844 0.46
+  375.1909 C20H27N2O5+ 4 375.1914 -1.33
+  384.2239 C17H30N5O5+ 3 384.2241 -0.57
+  385.207 C16H33O10+ 4 385.2068 0.36
+  402.2342 C31H30+ 4 402.2342 -0.09
+  468.2448 C35H32O+ 6 468.2448 -0.03
+  477.2381 C28H33N2O5+ 5 477.2384 -0.6
+  485.2714 C35H35NO+ 6 485.2713 0.26
+  509.2645 C29H37N2O6+ 5 509.2646 -0.29
+  559.3124 C29H43N4O7+ 6 559.3126 -0.38
+  580.302 C30H40N6O6+ 6 580.3004 2.86
+  680.3251 C42H42N5O4+ 6 680.3231 2.92
+  758.4081 C37H56N7O10+ 3 758.4083 -0.26
+  759.3923 C37H55N6O11+ 3 759.3923 -0.03
+  776.4183 C37H58N7O11+ 2 776.4189 -0.72
+  878.4655 C45H64N7O11+ 1 878.4658 -0.35
+  892.4815 C46H66N7O11+ 1 892.4815 -0.02
+  910.4912 C46H68N7O12+ 1 910.492 -0.89
+PK$NUM_PEAK: 19
+PK$PEAK: m/z int. rel.int.
+  163.1118 134934.8 13
+  258.1845 383512.9 38
+  375.1909 1074972.2 108
+  384.2239 102995.4 10
+  385.207 256974.3 26
+  402.2342 2828306.8 286
+  468.2448 842483.4 85
+  477.2381 329158.7 33
+  485.2714 1580538.5 160
+  509.2645 1319379.9 133
+  559.3124 1281027.1 129
+  580.302 673411.4 68
+  680.3251 235558.2 23
+  758.4081 1410385.9 142
+  759.3923 3305870.8 334
+  776.4183 8178259 828
+  878.4655 937656.5 94
+  892.4815 1728706 175
+  910.4912 9866473 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED189402.txt b/Eawag/MSBNK-EAWAG-ED189402.txt
new file mode 100644
index 0000000000..f058df4b0d
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED189402.txt
@@ -0,0 +1,147 @@
+ACCESSION: MSBNK-EAWAG-ED189402
+RECORD_TITLE: MC-LA; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 1
+COMMENT: CyanoMetDB_ID 1894
+CH$NAME: MC-LA
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-8-isobutyl-18-((1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl)-1,5,12,15,19-pentamethyl-2-methylene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptaazacyclopentacosane-11,22-dicarboxylic acid
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,15,19-pentamethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C46H67N7O12
+CH$EXACT_MASS: 909.4847706
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](C)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C46H67N7O12/c1-24(2)21-35-44(60)52-38(46(63)64)28(6)40(56)47-29(7)41(57)49-33(18-17-25(3)22-26(4)36(65-11)23-32-15-13-12-14-16-32)27(5)39(55)50-34(45(61)62)19-20-37(54)53(10)31(9)43(59)48-30(8)42(58)51-35/h12-18,22,24,26-30,33-36,38H,9,19-21,23H2,1-8,10-11H3,(H,47,56)(H,48,59)(H,49,57)(H,50,55)(H,51,58)(H,52,60)(H,61,62)(H,63,64)/b18-17+,25-22+/t26-,27-,28-,29-,30+,33-,34+,35-,36-,38+/m0/s1
+CH$LINK: CAS 96180-79-9
+CH$LINK: CHEBI 191135
+CH$LINK: PUBCHEM CID:6437382
+CH$LINK: INCHIKEY DIAQQISRBBDJIM-DRSCAGMXSA-N
+CH$LINK: CHEMSPIDER 4941946
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 94-950
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.312 min
+MS$FOCUSED_ION: BASE_PEAK 910.4914
+MS$FOCUSED_ION: PRECURSOR_M/Z 910.492
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-056r-0246930410-e0790b5660cb81b14320
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  107.0853 C8H11+ 1 107.0855 -1.71
+  124.1122 C8H14N+ 1 124.1121 0.65
+  135.0804 C9H11O+ 1 135.0804 -0.09
+  135.1167 C10H15+ 1 135.1168 -0.6
+  155.0813 C7H11N2O2+ 1 155.0815 -1.35
+  163.1116 C11H15O+ 1 163.1117 -1.07
+  173.0925 C7H13N2O3+ 1 173.0921 2.23
+  175.1117 C12H15O+ 1 175.1117 -0.33
+  185.1289 C9H17N2O2+ 1 185.1285 2.18
+  195.0762 C9H11N2O3+ 1 195.0764 -1.29
+  201.0864 C8H13N2O4+ 2 201.087 -2.79
+  213.0867 C7H11N5O3+ 2 213.0856 4.82
+  218.113 C8H16N3O4+ 2 218.1135 -2.34
+  237.1233 C12H17N2O3+ 1 237.1234 -0.43
+  237.1629 C3H27NO10+ 2 237.1629 -0.1
+  258.1844 C2H30N2O11+ 3 258.1844 0.1
+  265.158 C4H27NO11+ 4 265.1579 0.49
+  268.165 C13H22N3O3+ 2 268.1656 -2.15
+  269.1893 C4H31NO11+ 4 269.1892 0.7
+  292.1531 C16H22NO4+ 4 292.1543 -4.33
+  297.1838 C5H31NO12+ 4 297.1841 -0.77
+  313.1867 C14H25N4O4+ 3 313.187 -1.01
+  329.1859 C17H23N5O2+ 3 329.1846 3.81
+  331.1969 C14H27N4O5+ 3 331.1976 -1.98
+  347.1964 C5H29N7O10+ 4 347.197 -1.79
+  375.1911 C20H27N2O5+ 4 375.1914 -0.93
+  380.2198 C22H28N4O2+ 5 380.2207 -2.39
+  384.2238 C17H30N5O5+ 3 384.2241 -0.81
+  385.2073 C16H33O10+ 4 385.2068 1.31
+  394.2017 C22H26N4O3+ 5 394.1999 4.39
+  397.2075 C18H29N4O6+ 3 397.2082 -1.64
+  402.2342 C31H30+ 4 402.2342 -0.01
+  437.2027 C20H29N4O7+ 5 437.2031 -0.93
+  446.2283 C23H32N3O6+ 4 446.2286 -0.5
+  467.2617 C21H35N6O6+ 6 467.2613 0.92
+  468.245 C35H32O+ 5 468.2448 0.5
+  477.2385 C28H33N2O5+ 5 477.2384 0.29
+  485.2712 C35H35NO+ 6 485.2713 -0.18
+  509.2643 C29H37N2O6+ 5 509.2646 -0.53
+  559.3131 C29H43N4O7+ 6 559.3126 0.82
+  580.302 C30H40N6O6+ 6 580.3004 2.75
+  596.303 C40H40N2O3+ 6 596.3033 -0.54
+  647.3767 C32H51N6O8+ 8 647.3763 0.58
+  713.3897 C36H53N6O9+ 6 713.3869 4.01
+  758.4083 C37H56N7O10+ 3 758.4083 -0.02
+  759.3926 C37H55N6O11+ 4 759.3923 0.38
+  776.4189 C37H58N7O11+ 2 776.4189 0.07
+  864.4858 C45H66N7O10+ 1 864.4866 -0.92
+  878.4661 C45H64N7O11+ 1 878.4658 0.27
+  892.482 C46H66N7O11+ 1 892.4815 0.59
+  910.491 C46H68N7O12+ 1 910.492 -1.15
+PK$NUM_PEAK: 51
+PK$PEAK: m/z int. rel.int.
+  107.0853 94360.2 27
+  124.1122 90074.1 26
+  135.0804 451408.6 132
+  135.1167 50080.9 14
+  155.0813 131607.5 38
+  163.1116 811702.9 238
+  173.0925 229010.3 67
+  175.1117 61352.3 18
+  185.1289 43563.1 12
+  195.0762 346014.9 101
+  201.0864 107163.5 31
+  213.0867 586202.4 172
+  218.113 798211.9 234
+  237.1233 78469.9 23
+  237.1629 163426.5 48
+  258.1844 920101.2 270
+  265.158 343009.5 100
+  268.165 404572.1 118
+  269.1893 43090.2 12
+  292.1531 176442.2 51
+  297.1838 420340.8 123
+  313.1867 71344 20
+  329.1859 63021.5 18
+  331.1969 791256.1 232
+  347.1964 322997.8 94
+  375.1911 3400961.8 999
+  380.2198 154339.4 45
+  384.2238 196083.8 57
+  385.2073 563561.9 165
+  394.2017 50612.1 14
+  397.2075 356141.4 104
+  402.2342 2628084 771
+  437.2027 56819.9 16
+  446.2283 1710485.8 502
+  467.2617 434017.2 127
+  468.245 2132037 626
+  477.2385 556229.1 163
+  485.2712 1407476 413
+  509.2643 1452121.1 426
+  559.3131 1260406.1 370
+  580.302 901291.4 264
+  596.303 269787.1 79
+  647.3767 127677.7 37
+  713.3897 72967.8 21
+  758.4083 1150463.8 337
+  759.3926 987606.5 290
+  776.4189 2403433.8 705
+  864.4858 89453.1 26
+  878.4661 232215.4 68
+  892.482 754522.7 221
+  910.491 801212.9 235
+//
diff --git a/Eawag/MSBNK-EAWAG-ED189403.txt b/Eawag/MSBNK-EAWAG-ED189403.txt
new file mode 100644
index 0000000000..fce67c0135
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED189403.txt
@@ -0,0 +1,177 @@
+ACCESSION: MSBNK-EAWAG-ED189403
+RECORD_TITLE: MC-LA; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 1
+COMMENT: CyanoMetDB_ID 1894
+CH$NAME: MC-LA
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-8-isobutyl-18-((1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl)-1,5,12,15,19-pentamethyl-2-methylene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptaazacyclopentacosane-11,22-dicarboxylic acid
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,15,19-pentamethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C46H67N7O12
+CH$EXACT_MASS: 909.4847706
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](C)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C46H67N7O12/c1-24(2)21-35-44(60)52-38(46(63)64)28(6)40(56)47-29(7)41(57)49-33(18-17-25(3)22-26(4)36(65-11)23-32-15-13-12-14-16-32)27(5)39(55)50-34(45(61)62)19-20-37(54)53(10)31(9)43(59)48-30(8)42(58)51-35/h12-18,22,24,26-30,33-36,38H,9,19-21,23H2,1-8,10-11H3,(H,47,56)(H,48,59)(H,49,57)(H,50,55)(H,51,58)(H,52,60)(H,61,62)(H,63,64)/b18-17+,25-22+/t26-,27-,28-,29-,30+,33-,34+,35-,36-,38+/m0/s1
+CH$LINK: CAS 96180-79-9
+CH$LINK: CHEBI 191135
+CH$LINK: PUBCHEM CID:6437382
+CH$LINK: INCHIKEY DIAQQISRBBDJIM-DRSCAGMXSA-N
+CH$LINK: CHEMSPIDER 4941946
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 94-950
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.312 min
+MS$FOCUSED_ION: BASE_PEAK 910.4914
+MS$FOCUSED_ION: PRECURSOR_M/Z 910.492
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-02vi-0697310000-c18af266b28f15c06763
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  107.0855 C8H11+ 1 107.0855 -0.36
+  124.112 C8H14N+ 1 124.1121 -0.64
+  127.0864 C6H11N2O+ 1 127.0866 -1.85
+  131.0859 C10H11+ 1 131.0855 2.62
+  135.0803 C9H11O+ 1 135.0804 -0.88
+  135.1165 C10H15+ 1 135.1168 -2.63
+  138.055 C7H8NO2+ 1 138.055 0.01
+  143.0854 C11H11+ 1 143.0855 -0.69
+  155.0812 C7H11N2O2+ 1 155.0815 -1.65
+  157.1331 C8H17N2O+ 1 157.1335 -2.8
+  163.1116 C11H15O+ 1 163.1117 -0.69
+  167.0811 C8H11N2O2+ 1 167.0815 -2.51
+  173.0921 C7H13N2O3+ 1 173.0921 0.29
+  175.1115 C12H15O+ 1 175.1117 -1.55
+  185.1282 C9H17N2O2+ 1 185.1285 -1.12
+  195.0762 C9H11N2O3+ 1 195.0764 -1.21
+  200.1027 C8H14N3O3+ 1 200.103 -1.59
+  201.0866 C8H13N2O4+ 2 201.087 -2.03
+  209.1314 CH23NO10+ 1 209.1316 -1.07
+  213.0865 C7H11N5O3+ 2 213.0856 3.96
+  218.113 C8H16N3O4+ 2 218.1135 -2.34
+  218.1523 C12H18N4+ 2 218.1526 -1.59
+  226.1584 CH26N2O10+ 2 226.1582 0.73
+  237.1231 C12H17N2O3+ 2 237.1234 -1.26
+  237.1631 C3H27NO10+ 3 237.1629 0.68
+  239.0656 C10H11N2O5+ 2 239.0662 -2.6
+  243.1329 C9H17N5O3+ 2 243.1326 1.46
+  246.148 H26N2O12+ 3 246.148 -0.31
+  250.1535 C11H18N6O+ 2 250.1537 -0.83
+  251.1021 C12H15N2O4+ 2 251.1026 -2.23
+  258.1846 C2H30N2O11+ 4 258.1844 0.57
+  264.1593 C13H20N4O2+ 3 264.1581 4.52
+  265.1577 C4H27NO11+ 4 265.1579 -0.66
+  268.1647 C13H22N3O3+ 2 268.1656 -3.06
+  269.1125 C12H17N2O5+ 2 269.1132 -2.46
+  269.1895 C4H31NO11+ 4 269.1892 1.26
+  274.1434 C16H20NO3+ 3 274.1438 -1.42
+  282.1846 C4H30N2O11+ 4 282.1844 0.73
+  284.1229 C10H16N6O4+ 2 284.1228 0.47
+  292.154 C16H22NO4+ 3 292.1543 -1.09
+  293.112 C12H15N5O4+ 2 293.1119 0.48
+  297.184 C5H31NO12+ 5 297.1841 -0.25
+  310.103 C13H16N3O6+ 2 310.1034 -1.19
+  313.1864 C14H25N4O4+ 3 313.187 -1.99
+  314.1702 C14H24N3O5+ 2 314.171 -2.77
+  314.2118 C6H30N6O8+ 4 314.212 -0.41
+  320.2015 C8H28N6O7+ 4 320.2014 0.46
+  329.1859 C17H23N5O2+ 3 329.1846 3.81
+  331.1973 C14H27N4O5+ 3 331.1976 -0.96
+  347.196 C5H29N7O10+ 3 347.197 -3.02
+  348.1958 C23H26NO2+ 4 348.1958 -0.06
+  375.1912 C20H27N2O5+ 4 375.1914 -0.76
+  380.2198 C22H28N4O2+ 5 380.2207 -2.39
+  385.2073 C16H33O10+ 4 385.2068 1.15
+  397.2078 C18H29N4O6+ 4 397.2082 -0.95
+  440.2503 C20H34N5O6+ 4 440.2504 -0.09
+  446.2284 C23H32N3O6+ 4 446.2286 -0.3
+  467.2615 C21H35N6O6+ 4 467.2613 0.59
+  468.2449 C35H32O+ 6 468.2448 0.24
+  509.2643 C29H37N2O6+ 5 509.2646 -0.71
+  541.3026 C29H41N4O6+ 5 541.3021 1.08
+  559.3138 C29H43N4O7+ 5 559.3126 2.13
+  580.3025 C30H40N6O6+ 6 580.3004 3.59
+  647.3769 C32H51N6O8+ 7 647.3763 0.96
+  758.4073 C37H56N7O10+ 4 758.4083 -1.39
+  892.4799 C46H66N7O11+ 1 892.4815 -1.8
+PK$NUM_PEAK: 66
+PK$PEAK: m/z int. rel.int.
+  107.0855 434844.2 118
+  124.112 232687.6 63
+  127.0864 229226.2 62
+  131.0859 92331.1 25
+  135.0803 1543001.6 421
+  135.1165 332394.8 90
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+  155.0812 613190.4 167
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+  163.1116 1656071.9 452
+  167.0811 69346.4 18
+  173.0921 710339.8 194
+  175.1115 93259.1 25
+  185.1282 146401 39
+  195.0762 429895 117
+  200.1027 46007 12
+  201.0866 379163.9 103
+  209.1314 122964.6 33
+  213.0865 1768275.9 482
+  218.113 1590020.8 434
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+  250.1535 57465 15
+  251.1021 59791.7 16
+  258.1846 897502.5 245
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+  297.184 360447.2 98
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+  314.2118 142146.8 38
+  320.2015 70088.4 19
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+  331.1973 778822.9 212
+  347.196 707831.6 193
+  348.1958 79166.5 21
+  375.1912 3657373 999
+  380.2198 247605.1 67
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+  397.2078 764571.9 208
+  440.2503 152142.6 41
+  446.2284 1840489.1 502
+  467.2615 325691.7 88
+  468.2449 1562509.1 426
+  509.2643 696676.6 190
+  541.3026 79664.7 21
+  559.3138 321298.6 87
+  580.3025 477471 130
+  647.3769 122976 33
+  758.4073 579741.9 158
+  892.4799 212906.4 58
+//
diff --git a/Eawag/MSBNK-EAWAG-ED189404.txt b/Eawag/MSBNK-EAWAG-ED189404.txt
new file mode 100644
index 0000000000..b4d06a6637
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED189404.txt
@@ -0,0 +1,159 @@
+ACCESSION: MSBNK-EAWAG-ED189404
+RECORD_TITLE: MC-LA; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 1
+COMMENT: CyanoMetDB_ID 1894
+CH$NAME: MC-LA
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-8-isobutyl-18-((1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl)-1,5,12,15,19-pentamethyl-2-methylene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptaazacyclopentacosane-11,22-dicarboxylic acid
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,15,19-pentamethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C46H67N7O12
+CH$EXACT_MASS: 909.4847706
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](C)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C46H67N7O12/c1-24(2)21-35-44(60)52-38(46(63)64)28(6)40(56)47-29(7)41(57)49-33(18-17-25(3)22-26(4)36(65-11)23-32-15-13-12-14-16-32)27(5)39(55)50-34(45(61)62)19-20-37(54)53(10)31(9)43(59)48-30(8)42(58)51-35/h12-18,22,24,26-30,33-36,38H,9,19-21,23H2,1-8,10-11H3,(H,47,56)(H,48,59)(H,49,57)(H,50,55)(H,51,58)(H,52,60)(H,61,62)(H,63,64)/b18-17+,25-22+/t26-,27-,28-,29-,30+,33-,34+,35-,36-,38+/m0/s1
+CH$LINK: CAS 96180-79-9
+CH$LINK: CHEBI 191135
+CH$LINK: PUBCHEM CID:6437382
+CH$LINK: INCHIKEY DIAQQISRBBDJIM-DRSCAGMXSA-N
+CH$LINK: CHEMSPIDER 4941946
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 94-950
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.312 min
+MS$FOCUSED_ION: BASE_PEAK 910.4914
+MS$FOCUSED_ION: PRECURSOR_M/Z 910.492
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03g0-0964000000-a8941c7178da02df14d7
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  95.0858 C7H11+ 1 95.0855 2.58
+  103.0543 C8H7+ 1 103.0542 0.93
+  105.0698 C8H9+ 1 105.0699 -0.88
+  107.0854 C8H11+ 1 107.0855 -0.86
+  117.0699 C9H9+ 1 117.0699 0.34
+  124.1119 C8H14N+ 1 124.1121 -1.62
+  127.0865 C6H11N2O+ 1 127.0866 -0.95
+  130.0501 C5H8NO3+ 1 130.0499 1.58
+  131.0855 C10H11+ 1 131.0855 0.06
+  133.1013 C10H13+ 1 133.1012 0.98
+  135.0803 C9H11O+ 1 135.0804 -0.99
+  135.1165 C10H15+ 1 135.1168 -2.41
+  138.0547 C7H8NO2+ 1 138.055 -1.86
+  143.0858 C11H11+ 1 143.0855 1.66
+  145.1015 C11H13+ 1 145.1012 2.46
+  155.0814 C7H11N2O2+ 1 155.0815 -0.47
+  157.1332 C8H17N2O+ 1 157.1335 -2.02
+  161.0962 C11H13O+ 1 161.0961 0.89
+  163.1116 C11H15O+ 1 163.1117 -0.79
+  171.117 C13H15+ 1 171.1168 0.74
+  172.1085 C7H14N3O2+ 1 172.1081 2.49
+  173.0921 C7H13N2O3+ 1 173.0921 0.29
+  175.1117 C12H15O+ 1 175.1117 -0.42
+  185.1284 C9H17N2O2+ 1 185.1285 -0.46
+  187.1118 C13H15O+ 1 187.1117 0.46
+  195.0762 C9H11N2O3+ 1 195.0764 -1.37
+  201.0867 C8H13N2O4+ 1 201.087 -1.57
+  213.0864 C7H11N5O3+ 2 213.0856 3.67
+  218.113 C8H16N3O4+ 2 218.1135 -2.41
+  218.1525 C12H18N4+ 1 218.1526 -0.26
+  226.1581 CH26N2O10+ 2 226.1582 -0.55
+  237.1234 C12H17N2O3+ 1 237.1234 0.22
+  246.1484 H26N2O12+ 4 246.148 1.68
+  251.1025 C12H15N2O4+ 2 251.1026 -0.41
+  258.1844 C2H30N2O11+ 3 258.1844 -0.02
+  268.1649 C13H22N3O3+ 2 268.1656 -2.37
+  269.1133 C12H17N2O5+ 2 269.1132 0.26
+  269.1889 C4H31NO11+ 4 269.1892 -0.89
+  272.1232 C9H16N6O4+ 2 272.1228 1.64
+  282.1846 C4H30N2O11+ 4 282.1844 0.73
+  286.1765 C13H24N3O4+ 3 286.1761 1.12
+  292.154 C16H22NO4+ 3 292.1543 -1.2
+  293.1125 C12H15N5O4+ 3 293.1119 2.15
+  309.1811 C2H27N7O10+ 3 309.1814 -0.89
+  310.1028 C13H16N3O6+ 2 310.1034 -1.78
+  313.1868 C14H25N4O4+ 3 313.187 -0.82
+  314.171 C14H24N3O5+ 4 314.171 -0.14
+  314.212 C6H30N6O8+ 4 314.212 0.17
+  329.1853 C17H23N5O2+ 4 329.1846 1.96
+  347.1962 C5H29N7O10+ 4 347.197 -2.4
+  348.1958 C23H26NO2+ 4 348.1958 -0.15
+  351.2025 C17H27N4O4+ 4 351.2027 -0.66
+  375.191 C20H27N2O5+ 4 375.1914 -1.09
+  384.2258 C19H32N2O6+ 4 384.2255 0.94
+  397.2076 C18H29N4O6+ 4 397.2082 -1.48
+  446.2283 C23H32N3O6+ 4 446.2286 -0.5
+  468.2449 C35H32O+ 6 468.2448 0.24
+PK$NUM_PEAK: 57
+PK$PEAK: m/z int. rel.int.
+  95.0858 69168.3 27
+  103.0543 81042.3 32
+  105.0698 140196.2 55
+  107.0854 914906.4 363
+  117.0699 70758.9 28
+  124.1119 350713.5 139
+  127.0865 546987.8 217
+  130.0501 92389.1 36
+  131.0855 124458.5 49
+  133.1013 29620.2 11
+  135.0803 2352823 935
+  135.1165 762958.2 303
+  138.0547 265811.9 105
+  143.0858 144487.4 57
+  145.1015 70841.8 28
+  155.0814 1160653.5 461
+  157.1332 179955.8 71
+  161.0962 175824.9 69
+  163.1116 2149874.5 854
+  171.117 56579.5 22
+  172.1085 56438.6 22
+  173.0921 985044.9 391
+  175.1117 33394.4 13
+  185.1284 249225.1 99
+  187.1118 77660.9 30
+  195.0762 373890.9 148
+  201.0867 765456.1 304
+  213.0864 2512322.5 999
+  218.113 1200869.2 477
+  218.1525 310246.1 123
+  226.1581 220516.8 87
+  237.1234 272474.1 108
+  246.1484 575294.9 228
+  251.1025 69806.6 27
+  258.1844 688320.2 273
+  268.1649 994128.2 395
+  269.1133 86121.7 34
+  269.1889 51996.1 20
+  272.1232 58008.2 23
+  282.1846 279646.4 111
+  286.1765 101541.9 40
+  292.154 260604.7 103
+  293.1125 149249.7 59
+  309.1811 67335.7 26
+  310.1028 80514 32
+  313.1868 149233.6 59
+  314.171 377074.6 149
+  314.212 88053.9 35
+  329.1853 223485 88
+  347.1962 628795.2 250
+  348.1958 90359.2 35
+  351.2025 122726.3 48
+  375.191 2439411 970
+  384.2258 149859.5 59
+  397.2076 731568.7 290
+  446.2283 757307.8 301
+  468.2449 417392.5 165
+//
diff --git a/Eawag/MSBNK-EAWAG-ED189405.txt b/Eawag/MSBNK-EAWAG-ED189405.txt
new file mode 100644
index 0000000000..7289788835
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED189405.txt
@@ -0,0 +1,169 @@
+ACCESSION: MSBNK-EAWAG-ED189405
+RECORD_TITLE: MC-LA; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 1
+COMMENT: CyanoMetDB_ID 1894
+CH$NAME: MC-LA
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-8-isobutyl-18-((1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl)-1,5,12,15,19-pentamethyl-2-methylene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptaazacyclopentacosane-11,22-dicarboxylic acid
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,15,19-pentamethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C46H67N7O12
+CH$EXACT_MASS: 909.4847706
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](C)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C46H67N7O12/c1-24(2)21-35-44(60)52-38(46(63)64)28(6)40(56)47-29(7)41(57)49-33(18-17-25(3)22-26(4)36(65-11)23-32-15-13-12-14-16-32)27(5)39(55)50-34(45(61)62)19-20-37(54)53(10)31(9)43(59)48-30(8)42(58)51-35/h12-18,22,24,26-30,33-36,38H,9,19-21,23H2,1-8,10-11H3,(H,47,56)(H,48,59)(H,49,57)(H,50,55)(H,51,58)(H,52,60)(H,61,62)(H,63,64)/b18-17+,25-22+/t26-,27-,28-,29-,30+,33-,34+,35-,36-,38+/m0/s1
+CH$LINK: CAS 96180-79-9
+CH$LINK: CHEBI 191135
+CH$LINK: PUBCHEM CID:6437382
+CH$LINK: INCHIKEY DIAQQISRBBDJIM-DRSCAGMXSA-N
+CH$LINK: CHEMSPIDER 4941946
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 94-950
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.312 min
+MS$FOCUSED_ION: BASE_PEAK 910.4914
+MS$FOCUSED_ION: PRECURSOR_M/Z 910.492
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-06ri-0930000000-87068fa254efd4476563
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  95.0853 C7H11+ 1 95.0855 -1.99
+  102.0547 C4H8NO2+ 1 102.055 -2.6
+  103.0541 C8H7+ 1 103.0542 -1.44
+  105.0697 C8H9+ 1 105.0699 -1.25
+  107.0855 C8H11+ 1 107.0855 -0.65
+  110.06 C6H8NO+ 1 110.06 -0.4
+  117.0697 C9H9+ 1 117.0699 -1.35
+  121.1012 C9H13+ 1 121.1012 0.07
+  124.0756 C7H10NO+ 1 124.0757 -0.88
+  124.112 C8H14N+ 1 124.1121 -0.7
+  127.0864 C6H11N2O+ 1 127.0866 -1.25
+  129.0695 C10H9+ 1 129.0699 -2.92
+  130.0498 C5H8NO3+ 1 130.0499 -0.89
+  131.0853 C10H11+ 1 131.0855 -1.57
+  133.101 C10H13+ 1 133.1012 -1.31
+  135.0803 C9H11O+ 1 135.0804 -1.1
+  135.1166 C10H15+ 1 135.1168 -1.96
+  138.0548 C7H8NO2+ 1 138.055 -1.2
+  146.0964 C10H12N+ 1 146.0964 -0.26
+  149.0709 C8H9N2O+ 1 149.0709 -0.35
+  152.07 C8H10NO2+ 1 152.0706 -3.77
+  155.0813 C7H11N2O2+ 1 155.0815 -1.06
+  156.0652 C7H10NO3+ 1 156.0655 -2.26
+  157.1333 C8H17N2O+ 1 157.1335 -1.44
+  159.1168 C12H15+ 1 159.1168 -0.04
+  161.0958 C11H13O+ 1 161.0961 -2.04
+  162.1273 C11H16N+ 1 162.1277 -2.34
+  163.1116 C11H15O+ 1 163.1117 -0.88
+  167.0815 C8H11N2O2+ 1 167.0815 -0.04
+  168.0651 C8H10NO3+ 1 168.0655 -2.37
+  171.0806 C12H11O+ 1 171.0804 1.06
+  171.1165 C13H15+ 1 171.1168 -1.66
+  173.092 C7H13N2O3+ 1 173.0921 -0.24
+  181.1004 C14H13+ 1 181.1012 -4.12
+  187.1114 C13H15O+ 1 187.1117 -1.91
+  190.1225 C12H16NO+ 1 190.1226 -0.83
+  195.076 C9H11N2O3+ 2 195.0764 -2.15
+  197.1286 C10H17N2O2+ 1 197.1285 0.49
+  200.1026 C8H14N3O3+ 1 200.103 -1.66
+  201.0866 C8H13N2O4+ 2 201.087 -2.1
+  213.0864 C7H11N5O3+ 2 213.0856 3.6
+  218.1132 C8H16N3O4+ 2 218.1135 -1.5
+  218.1533 C12H18N4+ 2 218.1526 3.24
+  226.1584 CH26N2O10+ 3 226.1582 0.94
+  237.1629 C3H27NO10+ 2 237.1629 -0.35
+  239.0659 C10H11N2O5+ 2 239.0662 -1.33
+  243.1329 C9H17N5O3+ 2 243.1326 1.08
+  246.1484 H26N2O12+ 4 246.148 1.62
+  250.1533 C11H18N6O+ 2 250.1537 -1.26
+  258.1844 C2H30N2O11+ 3 258.1844 -0.02
+  268.1646 C13H22N3O3+ 2 268.1656 -3.63
+  269.1123 C12H17N2O5+ 2 269.1132 -3.48
+  282.1845 C4H30N2O11+ 4 282.1844 0.3
+  286.1751 C13H24N3O4+ 2 286.1761 -3.78
+  292.155 C16H22NO4+ 4 292.1543 2.35
+  293.1123 C12H15N5O4+ 3 293.1119 1.63
+  313.1867 C14H25N4O4+ 3 313.187 -1.21
+  314.1715 C14H24N3O5+ 4 314.171 1.31
+  319.2015 C4H29N7O9+ 3 319.2021 -1.83
+  331.1975 C14H27N4O5+ 4 331.1976 -0.23
+  347.1954 C5H29N7O10+ 4 347.197 -4.86
+  375.1911 C20H27N2O5+ 4 375.1914 -0.93
+PK$NUM_PEAK: 62
+PK$PEAK: m/z int. rel.int.
+  95.0853 86373.5 22
+  102.0547 82095.6 21
+  103.0541 332912 88
+  105.0697 469444.9 124
+  107.0855 2328827 616
+  110.06 67653.9 17
+  117.0697 182372.8 48
+  121.1012 54351.3 14
+  124.0756 132100.9 34
+  124.112 376803.6 99
+  127.0864 1748980.6 462
+  129.0695 63675.5 16
+  130.0498 155296.1 41
+  131.0853 241069.7 63
+  133.101 94239.7 24
+  135.0803 3776260 999
+  135.1166 2088417.5 552
+  138.0548 559206.6 147
+  146.0964 56284.2 14
+  149.0709 65564.4 17
+  152.07 60357.8 15
+  155.0813 2082426.6 550
+  156.0652 66786.2 17
+  157.1333 370788.3 98
+  159.1168 86993.3 23
+  161.0958 196128.5 51
+  162.1273 89690.2 23
+  163.1116 2317183.2 613
+  167.0815 367404.1 97
+  168.0651 65876.2 17
+  171.0806 55672.3 14
+  171.1165 97540.4 25
+  173.092 1313774.2 347
+  181.1004 73550.1 19
+  187.1114 67204.5 17
+  190.1225 78705 20
+  195.076 463776.2 122
+  197.1286 83616.9 22
+  200.1026 88262.4 23
+  201.0866 922438.5 244
+  213.0864 2950754.8 780
+  218.1132 378511.9 100
+  218.1533 309099.6 81
+  226.1584 275924.4 72
+  237.1629 444173.2 117
+  239.0659 247088.2 65
+  243.1329 316861.3 83
+  246.1484 432541.5 114
+  250.1533 43030.4 11
+  258.1844 260521.1 68
+  268.1646 312375.5 82
+  269.1123 98714.8 26
+  282.1845 148337.9 39
+  286.1751 67860.6 17
+  292.155 73623.2 19
+  293.1123 80352 21
+  313.1867 53390.8 14
+  314.1715 87240.6 23
+  319.2015 98677.6 26
+  331.1975 55853.8 14
+  347.1954 258392.2 68
+  375.1911 670698.9 177
+//
diff --git a/Eawag/MSBNK-EAWAG-ED189406.txt b/Eawag/MSBNK-EAWAG-ED189406.txt
new file mode 100644
index 0000000000..d959becf8c
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED189406.txt
@@ -0,0 +1,153 @@
+ACCESSION: MSBNK-EAWAG-ED189406
+RECORD_TITLE: MC-LA; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 1
+COMMENT: CyanoMetDB_ID 1894
+CH$NAME: MC-LA
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-8-isobutyl-18-((1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl)-1,5,12,15,19-pentamethyl-2-methylene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptaazacyclopentacosane-11,22-dicarboxylic acid
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,15,19-pentamethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C46H67N7O12
+CH$EXACT_MASS: 909.4847706
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](C)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C46H67N7O12/c1-24(2)21-35-44(60)52-38(46(63)64)28(6)40(56)47-29(7)41(57)49-33(18-17-25(3)22-26(4)36(65-11)23-32-15-13-12-14-16-32)27(5)39(55)50-34(45(61)62)19-20-37(54)53(10)31(9)43(59)48-30(8)42(58)51-35/h12-18,22,24,26-30,33-36,38H,9,19-21,23H2,1-8,10-11H3,(H,47,56)(H,48,59)(H,49,57)(H,50,55)(H,51,58)(H,52,60)(H,61,62)(H,63,64)/b18-17+,25-22+/t26-,27-,28-,29-,30+,33-,34+,35-,36-,38+/m0/s1
+CH$LINK: CAS 96180-79-9
+CH$LINK: CHEBI 191135
+CH$LINK: PUBCHEM CID:6437382
+CH$LINK: INCHIKEY DIAQQISRBBDJIM-DRSCAGMXSA-N
+CH$LINK: CHEMSPIDER 4941946
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 94-950
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.312 min
+MS$FOCUSED_ION: BASE_PEAK 910.4914
+MS$FOCUSED_ION: PRECURSOR_M/Z 910.492
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0bvr-0910000000-097a9e689c5669da7ed9
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  95.0491 C6H7O+ 1 95.0491 -0.06
+  95.0854 C7H11+ 1 95.0855 -1.51
+  99.0917 C5H11N2+ 1 99.0917 -0.24
+  102.0549 C4H8NO2+ 1 102.055 -0.95
+  103.0542 C8H7+ 1 103.0542 -0.41
+  105.0698 C8H9+ 1 105.0699 -0.38
+  107.0855 C8H11+ 1 107.0855 -0.36
+  109.0651 C7H9O+ 1 109.0648 2.44
+  110.06 C6H8NO+ 1 110.06 0.01
+  115.0545 C9H7+ 1 115.0542 2.36
+  117.0698 C9H9+ 1 117.0699 -0.24
+  119.0852 C9H11+ 1 119.0855 -2.86
+  121.1012 C9H13+ 1 121.1012 0.07
+  124.0756 C7H10NO+ 1 124.0757 -1
+  124.112 C8H14N+ 1 124.1121 -0.46
+  127.0865 C6H11N2O+ 1 127.0866 -0.89
+  129.0698 C10H9+ 1 129.0699 -0.44
+  130.0499 C5H8NO3+ 1 130.0499 0.05
+  131.0857 C10H11+ 1 131.0855 1.34
+  133.1012 C10H13+ 1 133.1012 0.3
+  135.0804 C9H11O+ 1 135.0804 -0.43
+  135.1166 C10H15+ 1 135.1168 -1.39
+  138.0549 C7H8NO2+ 1 138.055 -0.65
+  143.0859 C11H11+ 1 143.0855 2.41
+  145.1009 C11H13+ 1 145.1012 -1.64
+  146.0963 C10H12N+ 1 146.0964 -0.99
+  146.1091 C11H14+ 1 146.109 0.76
+  155.0814 C7H11N2O2+ 1 155.0815 -0.66
+  157.1329 C8H17N2O+ 2 157.1335 -3.86
+  161.0961 C11H13O+ 1 161.0961 -0.15
+  162.1277 C11H16N+ 1 162.1277 0.01
+  163.1116 C11H15O+ 1 163.1117 -0.6
+  167.0814 C8H11N2O2+ 1 167.0815 -0.41
+  168.065 C8H10NO3+ 2 168.0655 -3.28
+  171.1168 C13H15+ 1 171.1168 -0.33
+  173.0921 C7H13N2O3+ 1 173.0921 0.38
+  181.1335 C10H17N2O+ 1 181.1335 -0.4
+  183.1493 C10H19N2O+ 1 183.1492 0.63
+  187.1117 C13H15O+ 1 187.1117 -0.36
+  188.1427 C13H18N+ 1 188.1434 -3.34
+  190.1222 C12H16NO+ 2 190.1226 -2.35
+  195.0762 C9H11N2O3+ 1 195.0764 -1.21
+  196.0602 C9H10NO4+ 1 196.0604 -1.43
+  201.0868 C8H13N2O4+ 1 201.087 -0.89
+  213.0866 C7H11N5O3+ 2 213.0856 4.39
+  218.1132 C8H16N3O4+ 2 218.1135 -1.64
+  218.1533 C12H18N4+ 2 218.1526 3.1
+  226.1584 CH26N2O10+ 3 226.1582 0.94
+  237.1632 C3H27NO10+ 3 237.1629 0.87
+  239.0657 C10H11N2O5+ 2 239.0662 -2.41
+  243.1332 C9H17N5O3+ 2 243.1326 2.65
+  246.1479 H26N2O12+ 3 246.148 -0.43
+  265.1585 C4H27NO11+ 4 265.1579 2.33
+  282.1847 C4H30N2O11+ 4 282.1844 1.16
+PK$NUM_PEAK: 54
+PK$PEAK: m/z int. rel.int.
+  95.0491 48071.8 14
+  95.0854 101930.1 29
+  99.0917 130798.9 38
+  102.0549 77114.8 22
+  103.0542 759238.7 223
+  105.0698 927264 272
+  107.0855 3397793.8 999
+  109.0651 51924.6 15
+  110.06 145786.8 42
+  115.0545 113539 33
+  117.0698 348885 102
+  119.0852 146716.8 43
+  121.1012 83106.1 24
+  124.0756 127772 37
+  124.112 284848.2 83
+  127.0865 2980322.8 876
+  129.0698 75406.9 22
+  130.0499 135069.2 39
+  131.0857 233946.4 68
+  133.1012 137267.6 40
+  135.0804 3160094 929
+  135.1166 2514117.5 739
+  138.0549 658672.6 193
+  143.0859 138920.7 40
+  145.1009 270901.2 79
+  146.0963 105173.3 30
+  146.1091 67362.2 19
+  155.0814 1546016.6 454
+  157.1329 212599.2 62
+  161.0961 181489.5 53
+  162.1277 97024.9 28
+  163.1116 1263468.9 371
+  167.0814 786085.2 231
+  168.065 82624.4 24
+  171.1168 97306.9 28
+  173.0921 1109533.4 326
+  181.1335 79299.6 23
+  183.1493 54888.2 16
+  187.1117 35526.4 10
+  188.1427 57800.8 16
+  190.1222 46240.9 13
+  195.0762 471241.4 138
+  196.0602 108425.5 31
+  201.0868 435807 128
+  213.0866 1832084 538
+  218.1132 68839.2 20
+  218.1533 186966.7 54
+  226.1584 272845.2 80
+  237.1632 201493.9 59
+  239.0657 198017.8 58
+  243.1332 137282.5 40
+  246.1479 168581.6 49
+  265.1585 40017.3 11
+  282.1847 53631.6 15
+//
diff --git a/Eawag/MSBNK-EAWAG-ED189407.txt b/Eawag/MSBNK-EAWAG-ED189407.txt
new file mode 100644
index 0000000000..53c4d1a592
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED189407.txt
@@ -0,0 +1,139 @@
+ACCESSION: MSBNK-EAWAG-ED189407
+RECORD_TITLE: MC-LA; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 1
+COMMENT: CyanoMetDB_ID 1894
+CH$NAME: MC-LA
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-8-isobutyl-18-((1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl)-1,5,12,15,19-pentamethyl-2-methylene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptaazacyclopentacosane-11,22-dicarboxylic acid
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,15,19-pentamethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C46H67N7O12
+CH$EXACT_MASS: 909.4847706
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](C)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C46H67N7O12/c1-24(2)21-35-44(60)52-38(46(63)64)28(6)40(56)47-29(7)41(57)49-33(18-17-25(3)22-26(4)36(65-11)23-32-15-13-12-14-16-32)27(5)39(55)50-34(45(61)62)19-20-37(54)53(10)31(9)43(59)48-30(8)42(58)51-35/h12-18,22,24,26-30,33-36,38H,9,19-21,23H2,1-8,10-11H3,(H,47,56)(H,48,59)(H,49,57)(H,50,55)(H,51,58)(H,52,60)(H,61,62)(H,63,64)/b18-17+,25-22+/t26-,27-,28-,29-,30+,33-,34+,35-,36-,38+/m0/s1
+CH$LINK: CAS 96180-79-9
+CH$LINK: CHEBI 191135
+CH$LINK: PUBCHEM CID:6437382
+CH$LINK: INCHIKEY DIAQQISRBBDJIM-DRSCAGMXSA-N
+CH$LINK: CHEMSPIDER 4941946
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 94-950
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.312 min
+MS$FOCUSED_ION: BASE_PEAK 910.4914
+MS$FOCUSED_ION: PRECURSOR_M/Z 910.492
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0a70-0900000000-93a35db15eaf4769b1f0
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  95.0491 C6H7O+ 1 95.0491 0.02
+  95.0856 C7H11+ 1 95.0855 0.41
+  96.0807 C6H10N+ 1 96.0808 -0.65
+  99.0918 C5H11N2+ 1 99.0917 0.99
+  102.0549 C4H8NO2+ 1 102.055 -0.73
+  103.0541 C8H7+ 1 103.0542 -0.92
+  105.0698 C8H9+ 1 105.0699 -0.45
+  107.0855 C8H11+ 1 107.0855 -0.65
+  109.0647 C7H9O+ 1 109.0648 -0.5
+  110.0597 C6H8NO+ 1 110.06 -2.69
+  113.0232 C5H5O3+ 1 113.0233 -1.06
+  115.0542 C9H7+ 1 115.0542 0.04
+  117.0699 C9H9+ 1 117.0699 -0.11
+  119.0853 C9H11+ 1 119.0855 -1.7
+  121.065 C8H9O+ 1 121.0648 1.4
+  121.0759 C7H9N2+ 1 121.076 -1.33
+  121.1012 C9H13+ 1 121.1012 0.57
+  122.096 C8H12N+ 1 122.0964 -3.58
+  123.0917 C7H11N2+ 1 123.0917 0.27
+  124.0757 C7H10NO+ 1 124.0757 -0.33
+  127.0865 C6H11N2O+ 1 127.0866 -1.01
+  129.0695 C10H9+ 1 129.0699 -2.92
+  130.0496 C5H8NO3+ 1 130.0499 -1.94
+  131.0854 C10H11+ 1 131.0855 -1.11
+  133.1012 C10H13+ 1 133.1012 -0.16
+  135.0803 C9H11O+ 1 135.0804 -0.88
+  135.1166 C10H15+ 1 135.1168 -1.96
+  138.0548 C7H8NO2+ 1 138.055 -1.09
+  143.0855 C11H11+ 1 143.0855 -0.05
+  145.1012 C11H13+ 1 145.1012 0.35
+  146.096 C10H12N+ 1 146.0964 -3.08
+  146.109 C11H14+ 1 146.109 -0.07
+  149.0705 C8H9N2O+ 1 149.0709 -2.71
+  155.0814 C7H11N2O2+ 1 155.0815 -0.66
+  156.0657 C7H10NO3+ 1 156.0655 1.46
+  157.1333 C8H17N2O+ 1 157.1335 -1.73
+  163.1115 C11H15O+ 1 163.1117 -1.63
+  167.0813 C8H11N2O2+ 1 167.0815 -1.05
+  168.0648 C8H10NO3+ 2 168.0655 -4.01
+  173.0922 C7H13N2O3+ 1 173.0921 0.55
+  181.1332 C10H17N2O+ 1 181.1335 -2.09
+  195.0761 C9H11N2O3+ 1 195.0764 -1.52
+  196.0596 C9H10NO4+ 2 196.0604 -4.15
+  201.0863 C8H13N2O4+ 2 201.087 -3.17
+  213.0865 C7H11N5O3+ 2 213.0856 3.89
+  218.1536 C12H18N4+ 3 218.1526 4.78
+  226.1583 CH26N2O10+ 2 226.1582 0.4
+PK$NUM_PEAK: 47
+PK$PEAK: m/z int. rel.int.
+  95.0491 141072.7 38
+  95.0856 84510 23
+  96.0807 49909.7 13
+  99.0918 252847.5 69
+  102.0549 77379.1 21
+  103.0541 1397205.2 385
+  105.0698 1270499 350
+  107.0855 3620615.5 999
+  109.0647 94411.5 26
+  110.0597 221164.5 61
+  113.0232 84360.9 23
+  115.0542 141578.8 39
+  117.0699 500366.6 138
+  119.0853 163782.6 45
+  121.065 44613.8 12
+  121.0759 48458.4 13
+  121.1012 69186.5 19
+  122.096 55919.6 15
+  123.0917 56083.6 15
+  124.0757 107576 29
+  127.0865 3044095 839
+  129.0695 97688.9 26
+  130.0496 137809.7 38
+  131.0854 248680.5 68
+  133.1012 148629.6 41
+  135.0803 2116029.2 583
+  135.1166 1712806.2 472
+  138.0548 413093.3 113
+  143.0855 165005.5 45
+  145.1012 181665.2 50
+  146.096 127463.7 35
+  146.109 56906.4 15
+  149.0705 186917.8 51
+  155.0814 695061.1 191
+  156.0657 110572.3 30
+  157.1333 80528.5 22
+  163.1115 553743.4 152
+  167.0813 901353.9 248
+  168.0648 64794.3 17
+  173.0922 489842.7 135
+  181.1332 77599.6 21
+  195.0761 415626.3 114
+  196.0596 108796.2 30
+  201.0863 109868.9 30
+  213.0865 902488.6 249
+  218.1536 59205 16
+  226.1583 114319.7 31
+//
diff --git a/Eawag/MSBNK-EAWAG-ED189408.txt b/Eawag/MSBNK-EAWAG-ED189408.txt
new file mode 100644
index 0000000000..d60f088733
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED189408.txt
@@ -0,0 +1,135 @@
+ACCESSION: MSBNK-EAWAG-ED189408
+RECORD_TITLE: MC-LA; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 1
+COMMENT: CyanoMetDB_ID 1894
+CH$NAME: MC-LA
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-8-isobutyl-18-((1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl)-1,5,12,15,19-pentamethyl-2-methylene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptaazacyclopentacosane-11,22-dicarboxylic acid
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,15,19-pentamethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C46H67N7O12
+CH$EXACT_MASS: 909.4847706
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](C)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C46H67N7O12/c1-24(2)21-35-44(60)52-38(46(63)64)28(6)40(56)47-29(7)41(57)49-33(18-17-25(3)22-26(4)36(65-11)23-32-15-13-12-14-16-32)27(5)39(55)50-34(45(61)62)19-20-37(54)53(10)31(9)43(59)48-30(8)42(58)51-35/h12-18,22,24,26-30,33-36,38H,9,19-21,23H2,1-8,10-11H3,(H,47,56)(H,48,59)(H,49,57)(H,50,55)(H,51,58)(H,52,60)(H,61,62)(H,63,64)/b18-17+,25-22+/t26-,27-,28-,29-,30+,33-,34+,35-,36-,38+/m0/s1
+CH$LINK: CAS 96180-79-9
+CH$LINK: CHEBI 191135
+CH$LINK: PUBCHEM CID:6437382
+CH$LINK: INCHIKEY DIAQQISRBBDJIM-DRSCAGMXSA-N
+CH$LINK: CHEMSPIDER 4941946
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 94-950
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.312 min
+MS$FOCUSED_ION: BASE_PEAK 910.4914
+MS$FOCUSED_ION: PRECURSOR_M/Z 910.492
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0a6r-0900000000-bc0f56e250c1a90bee1a
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  95.0493 C6H7O+ 1 95.0491 1.63
+  95.0853 C7H11+ 1 95.0855 -1.99
+  96.0808 C6H10N+ 1 96.0808 0.54
+  99.0917 C5H11N2+ 1 99.0917 0.38
+  102.0551 C4H8NO2+ 1 102.055 1.22
+  103.0542 C8H7+ 1 103.0542 -0.63
+  105.0698 C8H9+ 1 105.0699 -0.67
+  107.0855 C8H11+ 1 107.0855 -0.72
+  109.0648 C7H9O+ 1 109.0648 -0.01
+  110.0599 C6H8NO+ 1 110.06 -1.3
+  113.0229 C5H5O3+ 1 113.0233 -3.9
+  115.0541 C9H7+ 1 115.0542 -0.95
+  117.0697 C9H9+ 1 117.0699 -1.55
+  119.06 C7H7N2+ 1 119.0604 -3.13
+  119.0854 C9H11+ 1 119.0855 -1.25
+  120.0808 C8H10N+ 1 120.0808 0.4
+  121.0649 C8H9O+ 1 121.0648 0.58
+  121.0762 C7H9N2+ 1 121.076 1.25
+  122.0967 C8H12N+ 1 122.0964 2.29
+  123.0915 C7H11N2+ 1 123.0917 -1.21
+  124.0758 C7H10NO+ 1 124.0757 1.03
+  127.0865 C6H11N2O+ 1 127.0866 -1.07
+  129.0699 C10H9+ 1 129.0699 0.27
+  130.0497 C5H8NO3+ 1 130.0499 -1.36
+  131.0853 C10H11+ 1 131.0855 -1.46
+  133.1008 C10H13+ 1 133.1012 -2.57
+  135.0803 C9H11O+ 1 135.0804 -0.76
+  135.1165 C10H15+ 1 135.1168 -2.07
+  138.0548 C7H8NO2+ 1 138.055 -1.09
+  143.0853 C11H11+ 1 143.0855 -1.86
+  145.101 C11H13+ 1 145.1012 -0.91
+  146.0961 C10H12N+ 1 146.0964 -2.56
+  146.1088 C11H14+ 1 146.109 -1.64
+  149.0707 C8H9N2O+ 1 149.0709 -1.28
+  155.0816 C7H11N2O2+ 1 155.0815 0.72
+  156.0651 C7H10NO3+ 1 156.0655 -2.94
+  162.1274 C11H16N+ 1 162.1277 -1.78
+  163.1113 C11H15O+ 1 163.1117 -2.47
+  167.0813 C8H11N2O2+ 1 167.0815 -0.96
+  168.0654 C8H10NO3+ 1 168.0655 -0.74
+  173.0926 C7H13N2O3+ 1 173.0921 3.29
+  181.1003 C14H13+ 1 181.1012 -4.71
+  195.0762 C9H11N2O3+ 1 195.0764 -1.05
+  196.0602 C9H10NO4+ 1 196.0604 -1.04
+  213.0865 C7H11N5O3+ 2 213.0856 4.03
+PK$NUM_PEAK: 45
+PK$PEAK: m/z int. rel.int.
+  95.0493 248976.1 69
+  95.0853 92185.6 25
+  96.0808 47256.9 13
+  99.0917 311615.1 86
+  102.0551 62931 17
+  103.0542 2149202.5 597
+  105.0698 1595408.5 443
+  107.0855 3594672.5 999
+  109.0648 133777.1 37
+  110.0599 232735.3 64
+  113.0229 115928.9 32
+  115.0541 269317.2 74
+  117.0697 548393 152
+  119.06 43877.2 12
+  119.0854 187406.2 52
+  120.0808 41287.3 11
+  121.0649 52814.1 14
+  121.0762 148676.7 41
+  122.0967 55131.6 15
+  123.0915 46406.1 12
+  124.0758 81358.8 22
+  127.0865 2796287.8 777
+  129.0699 141871.8 39
+  130.0497 87138.5 24
+  131.0853 273841.2 76
+  133.1008 110690.7 30
+  135.0803 1300744.4 361
+  135.1165 962715.6 267
+  138.0548 232701 64
+  143.0853 112746.6 31
+  145.101 176586.6 49
+  146.0961 120937.6 33
+  146.1088 45764 12
+  149.0707 220371.2 61
+  155.0816 274254.5 76
+  156.0651 72030.6 20
+  162.1274 41291.3 11
+  163.1113 217014.4 60
+  167.0813 781026.9 217
+  168.0654 67483.6 18
+  173.0926 185993 51
+  181.1003 51670.5 14
+  195.0762 216352.8 60
+  196.0602 67971.1 18
+  213.0865 284658.8 79
+//
diff --git a/Eawag/MSBNK-EAWAG-ED189409.txt b/Eawag/MSBNK-EAWAG-ED189409.txt
new file mode 100644
index 0000000000..d3a609c379
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED189409.txt
@@ -0,0 +1,111 @@
+ACCESSION: MSBNK-EAWAG-ED189409
+RECORD_TITLE: MC-LA; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 1
+COMMENT: CyanoMetDB_ID 1894
+CH$NAME: MC-LA
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-8-isobutyl-18-((1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl)-1,5,12,15,19-pentamethyl-2-methylene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptaazacyclopentacosane-11,22-dicarboxylic acid
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,15,19-pentamethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C46H67N7O12
+CH$EXACT_MASS: 909.4847706
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](C)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C46H67N7O12/c1-24(2)21-35-44(60)52-38(46(63)64)28(6)40(56)47-29(7)41(57)49-33(18-17-25(3)22-26(4)36(65-11)23-32-15-13-12-14-16-32)27(5)39(55)50-34(45(61)62)19-20-37(54)53(10)31(9)43(59)48-30(8)42(58)51-35/h12-18,22,24,26-30,33-36,38H,9,19-21,23H2,1-8,10-11H3,(H,47,56)(H,48,59)(H,49,57)(H,50,55)(H,51,58)(H,52,60)(H,61,62)(H,63,64)/b18-17+,25-22+/t26-,27-,28-,29-,30+,33-,34+,35-,36-,38+/m0/s1
+CH$LINK: CAS 96180-79-9
+CH$LINK: CHEBI 191135
+CH$LINK: PUBCHEM CID:6437382
+CH$LINK: INCHIKEY DIAQQISRBBDJIM-DRSCAGMXSA-N
+CH$LINK: CHEMSPIDER 4941946
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 94-950
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.312 min
+MS$FOCUSED_ION: BASE_PEAK 910.4914
+MS$FOCUSED_ION: PRECURSOR_M/Z 910.492
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0pb9-0900000000-8f5974167f360c5fdd08
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  95.0491 C6H7O+ 1 95.0491 -0.22
+  95.0854 C7H11+ 1 95.0855 -0.95
+  96.0808 C6H10N+ 1 96.0808 -0.17
+  99.0916 C5H11N2+ 1 99.0917 -0.62
+  103.0542 C8H7+ 1 103.0542 -0.7
+  105.0698 C8H9+ 1 105.0699 -0.67
+  107.0855 C8H11+ 1 107.0855 -0.72
+  109.0649 C7H9O+ 1 109.0648 1.11
+  110.0601 C6H8NO+ 1 110.06 0.36
+  113.0232 C5H5O3+ 1 113.0233 -1.06
+  115.0543 C9H7+ 1 115.0542 0.97
+  117.0698 C9H9+ 1 117.0699 -1.02
+  119.0601 C7H7N2+ 1 119.0604 -2.42
+  119.0855 C9H11+ 1 119.0855 0.09
+  120.0807 C8H10N+ 1 120.0808 -0.3
+  121.0757 C7H9N2+ 1 121.076 -2.84
+  122.0599 C7H8NO+ 1 122.06 -1.38
+  123.0914 C7H11N2+ 1 123.0917 -2.27
+  127.0864 C6H11N2O+ 1 127.0866 -1.13
+  129.0696 C10H9+ 1 129.0699 -2.33
+  130.0497 C5H8NO3+ 1 130.0499 -1.01
+  131.0853 C10H11+ 1 131.0855 -1.46
+  132.0803 C9H10N+ 1 132.0808 -3.5
+  135.0803 C9H11O+ 1 135.0804 -0.88
+  135.1165 C10H15+ 1 135.1168 -2.75
+  138.0549 C7H8NO2+ 1 138.055 -0.43
+  143.0851 C11H11+ 1 143.0855 -3.14
+  145.101 C11H13+ 1 145.1012 -1.54
+  149.0711 C8H9N2O+ 1 149.0709 1.18
+  155.0817 C7H11N2O2+ 1 155.0815 1.5
+  163.1116 C11H15O+ 1 163.1117 -0.88
+  167.0814 C8H11N2O2+ 1 167.0815 -0.5
+  195.0765 C9H11N2O3+ 1 195.0764 0.51
+PK$NUM_PEAK: 33
+PK$PEAK: m/z int. rel.int.
+  95.0491 343641.8 110
+  95.0854 59714.8 19
+  96.0808 50310.2 16
+  99.0916 341158.4 109
+  103.0542 2925149 939
+  105.0698 1809160.8 580
+  107.0855 3110775.5 999
+  109.0649 196999.6 63
+  110.0601 165176 53
+  113.0232 148012.1 47
+  115.0543 341906.9 109
+  117.0698 479893 154
+  119.0601 65531.9 21
+  119.0855 214973 69
+  120.0807 72644.6 23
+  121.0757 211932.5 68
+  122.0599 40694.1 13
+  123.0914 75538.4 24
+  127.0864 2181663 700
+  129.0696 143377.8 46
+  130.0497 64035.3 20
+  131.0853 254124.5 81
+  132.0803 44959.8 14
+  135.0803 701159.6 225
+  135.1165 485516.3 155
+  138.0549 103410.5 33
+  143.0851 82431.5 26
+  145.101 116916.6 37
+  149.0711 210544 67
+  155.0817 86892.6 27
+  163.1116 108172 34
+  167.0814 563509.9 180
+  195.0765 110097.6 35
+//
diff --git a/Eawag/MSBNK-EAWAG-ED189451.txt b/Eawag/MSBNK-EAWAG-ED189451.txt
new file mode 100644
index 0000000000..2b9f5b4cf3
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED189451.txt
@@ -0,0 +1,49 @@
+ACCESSION: MSBNK-EAWAG-ED189451
+RECORD_TITLE: MC-LA; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 1
+COMMENT: CyanoMetDB_ID 1894
+CH$NAME: MC-LA
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-8-isobutyl-18-((1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl)-1,5,12,15,19-pentamethyl-2-methylene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptaazacyclopentacosane-11,22-dicarboxylic acid
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,15,19-pentamethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C46H67N7O12
+CH$EXACT_MASS: 909.4847706
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](C)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C46H67N7O12/c1-24(2)21-35-44(60)52-38(46(63)64)28(6)40(56)47-29(7)41(57)49-33(18-17-25(3)22-26(4)36(65-11)23-32-15-13-12-14-16-32)27(5)39(55)50-34(45(61)62)19-20-37(54)53(10)31(9)43(59)48-30(8)42(58)51-35/h12-18,22,24,26-30,33-36,38H,9,19-21,23H2,1-8,10-11H3,(H,47,56)(H,48,59)(H,49,57)(H,50,55)(H,51,58)(H,52,60)(H,61,62)(H,63,64)/b18-17+,25-22+/t26-,27-,28-,29-,30+,33-,34+,35-,36-,38+/m0/s1
+CH$LINK: CAS 96180-79-9
+CH$LINK: CHEBI 191135
+CH$LINK: PUBCHEM CID:6437382
+CH$LINK: INCHIKEY DIAQQISRBBDJIM-DRSCAGMXSA-N
+CH$LINK: CHEMSPIDER 4941946
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 94-948
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.352 min
+MS$FOCUSED_ION: BASE_PEAK 908.478
+MS$FOCUSED_ION: PRECURSOR_M/Z 908.4775
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0a4i-0000000009-1ed2a4f6fec66a2ace32
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  890.4658 C46H64N7O11- 1 890.4669 -1.25
+  908.4778 C46H66N7O12- 1 908.4775 0.34
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  890.4658 1382689.8 17
+  908.4778 78108168 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED189452.txt b/Eawag/MSBNK-EAWAG-ED189452.txt
new file mode 100644
index 0000000000..33029cda54
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED189452.txt
@@ -0,0 +1,49 @@
+ACCESSION: MSBNK-EAWAG-ED189452
+RECORD_TITLE: MC-LA; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 1
+COMMENT: CyanoMetDB_ID 1894
+CH$NAME: MC-LA
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-8-isobutyl-18-((1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl)-1,5,12,15,19-pentamethyl-2-methylene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptaazacyclopentacosane-11,22-dicarboxylic acid
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,15,19-pentamethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C46H67N7O12
+CH$EXACT_MASS: 909.4847706
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](C)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C46H67N7O12/c1-24(2)21-35-44(60)52-38(46(63)64)28(6)40(56)47-29(7)41(57)49-33(18-17-25(3)22-26(4)36(65-11)23-32-15-13-12-14-16-32)27(5)39(55)50-34(45(61)62)19-20-37(54)53(10)31(9)43(59)48-30(8)42(58)51-35/h12-18,22,24,26-30,33-36,38H,9,19-21,23H2,1-8,10-11H3,(H,47,56)(H,48,59)(H,49,57)(H,50,55)(H,51,58)(H,52,60)(H,61,62)(H,63,64)/b18-17+,25-22+/t26-,27-,28-,29-,30+,33-,34+,35-,36-,38+/m0/s1
+CH$LINK: CAS 96180-79-9
+CH$LINK: CHEBI 191135
+CH$LINK: PUBCHEM CID:6437382
+CH$LINK: INCHIKEY DIAQQISRBBDJIM-DRSCAGMXSA-N
+CH$LINK: CHEMSPIDER 4941946
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 94-948
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.352 min
+MS$FOCUSED_ION: BASE_PEAK 908.478
+MS$FOCUSED_ION: PRECURSOR_M/Z 908.4775
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0a4i-0000000019-5d2f36ba2d72c1d0fb85
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  890.4661 C46H64N7O11- 1 890.4669 -0.91
+  908.4777 C46H66N7O12- 1 908.4775 0.2
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  890.4661 11010400 162
+  908.4777 67587328 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED189453.txt b/Eawag/MSBNK-EAWAG-ED189453.txt
new file mode 100644
index 0000000000..6536778c1d
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED189453.txt
@@ -0,0 +1,55 @@
+ACCESSION: MSBNK-EAWAG-ED189453
+RECORD_TITLE: MC-LA; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 1
+COMMENT: CyanoMetDB_ID 1894
+CH$NAME: MC-LA
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-8-isobutyl-18-((1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl)-1,5,12,15,19-pentamethyl-2-methylene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptaazacyclopentacosane-11,22-dicarboxylic acid
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,15,19-pentamethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C46H67N7O12
+CH$EXACT_MASS: 909.4847706
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](C)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C46H67N7O12/c1-24(2)21-35-44(60)52-38(46(63)64)28(6)40(56)47-29(7)41(57)49-33(18-17-25(3)22-26(4)36(65-11)23-32-15-13-12-14-16-32)27(5)39(55)50-34(45(61)62)19-20-37(54)53(10)31(9)43(59)48-30(8)42(58)51-35/h12-18,22,24,26-30,33-36,38H,9,19-21,23H2,1-8,10-11H3,(H,47,56)(H,48,59)(H,49,57)(H,50,55)(H,51,58)(H,52,60)(H,61,62)(H,63,64)/b18-17+,25-22+/t26-,27-,28-,29-,30+,33-,34+,35-,36-,38+/m0/s1
+CH$LINK: CAS 96180-79-9
+CH$LINK: CHEBI 191135
+CH$LINK: PUBCHEM CID:6437382
+CH$LINK: INCHIKEY DIAQQISRBBDJIM-DRSCAGMXSA-N
+CH$LINK: CHEMSPIDER 4941946
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 94-948
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.352 min
+MS$FOCUSED_ION: BASE_PEAK 908.478
+MS$FOCUSED_ION: PRECURSOR_M/Z 908.4775
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0a4l-0000000089-4fe3ac57a1ae23fae184
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  128.0351 C5H6NO3- 1 128.0353 -1.77
+  796.46 C43H64N4O10- 3 796.4628 -3.5
+  864.4886 C45H66N7O10- 1 864.4877 1.09
+  890.4664 C46H64N7O11- 1 890.4669 -0.63
+  908.4774 C46H66N7O12- 1 908.4775 -0.13
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  128.0351 454184.9 13
+  796.46 654525.4 19
+  864.4886 781973 23
+  890.4664 31790684 970
+  908.4774 32729324 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED189454.txt b/Eawag/MSBNK-EAWAG-ED189454.txt
new file mode 100644
index 0000000000..4ae558695c
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED189454.txt
@@ -0,0 +1,61 @@
+ACCESSION: MSBNK-EAWAG-ED189454
+RECORD_TITLE: MC-LA; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 1
+COMMENT: CyanoMetDB_ID 1894
+CH$NAME: MC-LA
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-8-isobutyl-18-((1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl)-1,5,12,15,19-pentamethyl-2-methylene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptaazacyclopentacosane-11,22-dicarboxylic acid
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,15,19-pentamethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C46H67N7O12
+CH$EXACT_MASS: 909.4847706
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](C)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C46H67N7O12/c1-24(2)21-35-44(60)52-38(46(63)64)28(6)40(56)47-29(7)41(57)49-33(18-17-25(3)22-26(4)36(65-11)23-32-15-13-12-14-16-32)27(5)39(55)50-34(45(61)62)19-20-37(54)53(10)31(9)43(59)48-30(8)42(58)51-35/h12-18,22,24,26-30,33-36,38H,9,19-21,23H2,1-8,10-11H3,(H,47,56)(H,48,59)(H,49,57)(H,50,55)(H,51,58)(H,52,60)(H,61,62)(H,63,64)/b18-17+,25-22+/t26-,27-,28-,29-,30+,33-,34+,35-,36-,38+/m0/s1
+CH$LINK: CAS 96180-79-9
+CH$LINK: CHEBI 191135
+CH$LINK: PUBCHEM CID:6437382
+CH$LINK: INCHIKEY DIAQQISRBBDJIM-DRSCAGMXSA-N
+CH$LINK: CHEMSPIDER 4941946
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 94-948
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.352 min
+MS$FOCUSED_ION: BASE_PEAK 908.478
+MS$FOCUSED_ION: PRECURSOR_M/Z 908.4775
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0006-0000000091-8f49c73c3e3f977c169b
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  128.0351 C5H6NO3- 1 128.0353 -1.65
+  265.1662 C13H21N4O2- 3 265.167 -3
+  283.1768 C13H23N4O3- 3 283.1776 -2.81
+  311.1714 C13H27O8- 3 311.1711 0.84
+  796.4601 C43H64N4O10- 3 796.4628 -3.42
+  864.4877 C45H66N7O10- 1 864.4877 0.03
+  890.4663 C46H64N7O11- 1 890.4669 -0.7
+  908.4768 C46H66N7O12- 1 908.4775 -0.74
+PK$NUM_PEAK: 8
+PK$PEAK: m/z int. rel.int.
+  128.0351 3605242.5 114
+  265.1662 506496.3 16
+  283.1768 1605596.1 50
+  311.1714 484753.9 15
+  796.4601 1196050.4 37
+  864.4877 1099575.6 34
+  890.4663 31475180 999
+  908.4768 6266076.5 198
+//
diff --git a/Eawag/MSBNK-EAWAG-ED189455.txt b/Eawag/MSBNK-EAWAG-ED189455.txt
new file mode 100644
index 0000000000..d62da56243
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED189455.txt
@@ -0,0 +1,125 @@
+ACCESSION: MSBNK-EAWAG-ED189455
+RECORD_TITLE: MC-LA; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 1
+COMMENT: CyanoMetDB_ID 1894
+CH$NAME: MC-LA
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-8-isobutyl-18-((1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl)-1,5,12,15,19-pentamethyl-2-methylene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptaazacyclopentacosane-11,22-dicarboxylic acid
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,15,19-pentamethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C46H67N7O12
+CH$EXACT_MASS: 909.4847706
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](C)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C46H67N7O12/c1-24(2)21-35-44(60)52-38(46(63)64)28(6)40(56)47-29(7)41(57)49-33(18-17-25(3)22-26(4)36(65-11)23-32-15-13-12-14-16-32)27(5)39(55)50-34(45(61)62)19-20-37(54)53(10)31(9)43(59)48-30(8)42(58)51-35/h12-18,22,24,26-30,33-36,38H,9,19-21,23H2,1-8,10-11H3,(H,47,56)(H,48,59)(H,49,57)(H,50,55)(H,51,58)(H,52,60)(H,61,62)(H,63,64)/b18-17+,25-22+/t26-,27-,28-,29-,30+,33-,34+,35-,36-,38+/m0/s1
+CH$LINK: CAS 96180-79-9
+CH$LINK: CHEBI 191135
+CH$LINK: PUBCHEM CID:6437382
+CH$LINK: INCHIKEY DIAQQISRBBDJIM-DRSCAGMXSA-N
+CH$LINK: CHEMSPIDER 4941946
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 94-948
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.352 min
+MS$FOCUSED_ION: BASE_PEAK 908.478
+MS$FOCUSED_ION: PRECURSOR_M/Z 908.4775
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-004i-0940000000-a7c7bc5bf6633809c9f5
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  99.0564 C4H7N2O- 1 99.0564 0.14
+  100.0402 C4H6NO2- 1 100.0404 -1.52
+  110.0247 C5H4NO2- 1 110.0248 -0.36
+  111.0565 C5H7N2O- 1 111.0564 1.36
+  112.0405 C5H6NO2- 1 112.0404 0.76
+  113.0354 C4H5N2O2- 1 113.0357 -2.21
+  123.0564 C6H7N2O- 1 123.0564 0.14
+  124.0402 C6H6NO2- 1 124.0404 -1.46
+  125.0719 C6H9N2O- 1 125.072 -0.87
+  127.0513 C5H7N2O2- 1 127.0513 -0.1
+  128.0352 C5H6NO3- 1 128.0353 -1.29
+  129.1032 C6H13N2O- 1 129.1033 -0.82
+  130.0508 C5H8NO3- 1 130.051 -1.43
+  131.0866 C10H11- 1 131.0866 -0.52
+  137.0717 C7H9N2O- 1 137.072 -2.24
+  138.0558 C7H8NO2- 1 138.0561 -1.78
+  139.0874 C7H11N2O- 1 139.0877 -2.18
+  140.0714 C7H10NO2- 1 140.0717 -2.17
+  153.0665 C7H9N2O2- 1 153.067 -3.24
+  155.0821 C7H11N2O2- 1 155.0826 -3.23
+  163.0509 C8H7N2O2- 1 163.0513 -2.51
+  165.0663 C8H9N2O2- 2 165.067 -3.97
+  165.1027 C9H13N2O- 2 165.1033 -3.84
+  167.0821 C8H11N2O2- 2 167.0826 -3.29
+  170.0929 C7H12N3O2- 2 170.0935 -3.61
+  181.0612 C8H9N2O3- 2 181.0619 -3.45
+  182.1291 C7H14N6- 2 182.1285 3.01
+  195.1125 C8H13N5O- 1 195.1126 -0.34
+  198.1237 C7H14N6O- 1 198.1235 1.18
+  200.1397 C7H16N6O- 2 200.1391 2.86
+  211.0714 C7H9N5O3- 2 211.0711 1.72
+  212.1397 C8H16N6O- 2 212.1391 2.94
+  222.1243 C11H16N3O2- 2 222.1248 -2.42
+  226.1185 C8H14N6O2- 1 226.1184 0.74
+  265.1661 C13H21N4O2- 3 265.167 -3.34
+  283.1767 C13H23N4O3- 3 283.1776 -3.14
+  293.1615 C14H21N4O3- 3 293.1619 -1.27
+  311.1714 C13H27O8- 3 311.1711 0.94
+  313.1804 C20H25O3- 3 313.1809 -1.75
+  890.4661 C46H64N7O11- 1 890.4669 -0.98
+PK$NUM_PEAK: 40
+PK$PEAK: m/z int. rel.int.
+  99.0564 207671.6 29
+  100.0402 115583.9 16
+  110.0247 288821.2 41
+  111.0565 76448.3 10
+  112.0405 152848.7 21
+  113.0354 136737 19
+  123.0564 186822.7 26
+  124.0402 542811.8 77
+  125.0719 136163.1 19
+  127.0513 153703 21
+  128.0352 7010974.5 999
+  129.1032 399949.6 56
+  130.0508 96059.6 13
+  131.0866 191838.8 27
+  137.0717 307705.9 43
+  138.0558 258145.6 36
+  139.0874 306364.4 43
+  140.0714 89521.9 12
+  153.0665 649579.4 92
+  155.0821 466443.8 66
+  163.0509 123113.9 17
+  165.0663 121107.8 17
+  165.1027 502040.9 71
+  167.0821 190366.9 27
+  170.0929 270137.2 38
+  181.0612 671644.9 95
+  182.1291 316550.6 45
+  195.1125 100703.7 14
+  198.1237 177170.3 25
+  200.1397 1066604.8 151
+  211.0714 262579.8 37
+  212.1397 203938.6 29
+  222.1243 127441.4 18
+  226.1185 301856.8 43
+  265.1661 3026471.5 431
+  283.1767 2546377 362
+  293.1615 262795.5 37
+  311.1714 417460.8 59
+  313.1804 314919.5 44
+  890.4661 1120849 159
+//
diff --git a/Eawag/MSBNK-EAWAG-ED189456.txt b/Eawag/MSBNK-EAWAG-ED189456.txt
new file mode 100644
index 0000000000..93b04b7e28
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED189456.txt
@@ -0,0 +1,163 @@
+ACCESSION: MSBNK-EAWAG-ED189456
+RECORD_TITLE: MC-LA; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 1
+COMMENT: CyanoMetDB_ID 1894
+CH$NAME: MC-LA
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-8-isobutyl-18-((1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl)-1,5,12,15,19-pentamethyl-2-methylene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptaazacyclopentacosane-11,22-dicarboxylic acid
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,15,19-pentamethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C46H67N7O12
+CH$EXACT_MASS: 909.4847706
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](C)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C46H67N7O12/c1-24(2)21-35-44(60)52-38(46(63)64)28(6)40(56)47-29(7)41(57)49-33(18-17-25(3)22-26(4)36(65-11)23-32-15-13-12-14-16-32)27(5)39(55)50-34(45(61)62)19-20-37(54)53(10)31(9)43(59)48-30(8)42(58)51-35/h12-18,22,24,26-30,33-36,38H,9,19-21,23H2,1-8,10-11H3,(H,47,56)(H,48,59)(H,49,57)(H,50,55)(H,51,58)(H,52,60)(H,61,62)(H,63,64)/b18-17+,25-22+/t26-,27-,28-,29-,30+,33-,34+,35-,36-,38+/m0/s1
+CH$LINK: CAS 96180-79-9
+CH$LINK: CHEBI 191135
+CH$LINK: PUBCHEM CID:6437382
+CH$LINK: INCHIKEY DIAQQISRBBDJIM-DRSCAGMXSA-N
+CH$LINK: CHEMSPIDER 4941946
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 94-948
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.352 min
+MS$FOCUSED_ION: BASE_PEAK 908.478
+MS$FOCUSED_ION: PRECURSOR_M/Z 908.4775
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00or-0920000000-60b508f7e0e5c0f8d04d
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  96.0453 C5H6NO- 1 96.0455 -1.73
+  97.0408 C4H5N2O- 1 97.0407 0.18
+  98.0247 C4H4NO2- 1 98.0248 -0.64
+  98.0611 C5H8NO- 1 98.0611 -0.1
+  99.0563 C4H7N2O- 1 99.0564 -1.02
+  100.04 C4H6NO2- 1 100.0404 -3.58
+  109.0407 C5H5N2O- 1 109.0407 -0.2
+  109.077 C6H9N2- 1 109.0771 -0.7
+  110.0246 C5H4NO2- 1 110.0248 -1.19
+  110.0609 C6H8NO- 1 110.0611 -2.17
+  111.0562 C5H7N2O- 1 111.0564 -1.32
+  112.0403 C5H6NO2- 1 112.0404 -0.87
+  112.0766 C6H10NO- 1 112.0768 -1.77
+  113.0355 C4H5N2O2- 1 113.0357 -1.34
+  122.0611 C7H8NO- 1 122.0611 -0.03
+  123.0324 C6H5NO2- 1 123.0326 -1.8
+  123.0562 C6H7N2O- 1 123.0564 -1.66
+  124.0402 C6H6NO2- 1 124.0404 -1.77
+  125.0358 C5H5N2O2- 1 125.0357 1.58
+  125.0718 C6H9N2O- 1 125.072 -1.73
+  127.0511 C5H7N2O2- 1 127.0513 -1.42
+  128.0351 C5H6NO3- 1 128.0353 -1.41
+  129.1032 C6H13N2O- 1 129.1033 -1.41
+  130.0507 C5H8NO3- 1 130.051 -1.67
+  130.0871 C6H12NO2- 1 130.0874 -2.21
+  131.0863 C10H11- 1 131.0866 -2.27
+  135.0562 C7H7N2O- 1 135.0564 -1.42
+  136.1133 C9H14N- 1 136.1132 0.83
+  137.0718 C7H9N2O- 1 137.072 -1.8
+  138.0431 C6H6N2O2- 1 138.0435 -2.53
+  138.0555 C7H8NO2- 1 138.0561 -3.99
+  139.051 C6H7N2O2- 1 139.0513 -1.89
+  139.0874 C7H11N2O- 1 139.0877 -1.74
+  150.0557 C8H8NO2- 1 150.0561 -2.1
+  151.0873 C8H11N2O- 1 151.0877 -2.6
+  153.0665 C7H9N2O2- 1 153.067 -2.74
+  155.0822 C7H11N2O2- 1 155.0826 -2.64
+  163.0505 C8H7N2O2- 2 163.0513 -4.85
+  163.0871 C7H9N5- 2 163.0863 4.55
+  165.0664 C8H9N2O2- 2 165.067 -3.13
+  165.1027 C9H13N2O- 2 165.1033 -3.74
+  167.082 C8H11N2O2- 2 167.0826 -3.38
+  170.0928 C7H12N3O2- 2 170.0935 -4.24
+  180.1144 C9H14N3O- 1 180.1142 1.13
+  181.0611 C8H9N2O3- 2 181.0619 -4.21
+  182.1291 C7H14N6- 2 182.1285 3.09
+  183.1135 C9H15N2O2- 1 183.1139 -2.32
+  195.1129 C8H13N5O- 1 195.1126 1.85
+  198.124 C7H14N6O- 2 198.1235 2.57
+  200.1396 C7H16N6O- 2 200.1391 2.71
+  208.1092 C10H14N3O2- 1 208.1092 0.1
+  211.0716 C7H9N5O3- 2 211.0711 2.66
+  212.1395 C8H16N6O- 2 212.1391 2.08
+  222.1245 C11H16N3O2- 2 222.1248 -1.45
+  265.1661 C13H21N4O2- 3 265.167 -3.46
+  283.1766 C13H23N4O3- 3 283.1776 -3.57
+  295.1807 C4H29N3O11- 6 295.1808 -0.07
+  311.1715 C13H27O8- 3 311.1711 1.14
+  313.1802 C20H25O3- 4 313.1809 -2.14
+PK$NUM_PEAK: 59
+PK$PEAK: m/z int. rel.int.
+  96.0453 57077 11
+  97.0408 90478.3 18
+  98.0247 53978.2 11
+  98.0611 71127.8 14
+  99.0563 466527 97
+  100.04 100361.5 21
+  109.0407 73170.1 15
+  109.077 53379.6 11
+  110.0246 554885.9 116
+  110.0609 79919.8 16
+  111.0562 282233 59
+  112.0403 252756.2 52
+  112.0766 59017.3 12
+  113.0355 244874.9 51
+  122.0611 55466.8 11
+  123.0324 59906.1 12
+  123.0562 243565.2 50
+  124.0402 604637.2 126
+  125.0358 53226.3 11
+  125.0718 197555.6 41
+  127.0511 192852.1 40
+  128.0351 4773438.5 999
+  129.1032 844126.4 176
+  130.0507 55465 11
+  130.0871 108125.3 22
+  131.0863 278166.2 58
+  135.0562 57671.5 12
+  136.1133 57092.8 11
+  137.0718 418881.2 87
+  138.0431 79960.9 16
+  138.0555 415928 87
+  139.051 66383.2 13
+  139.0874 586790.8 122
+  150.0557 193633.5 40
+  151.0873 56658.2 11
+  153.0665 794289.7 166
+  155.0822 572887.5 119
+  163.0505 155673.3 32
+  163.0871 54469.2 11
+  165.0664 141037.1 29
+  165.1027 1088936.8 227
+  167.082 235118.4 49
+  170.0928 227521.2 47
+  180.1144 532748.6 111
+  181.0611 264862.1 55
+  182.1291 963959.5 201
+  183.1135 167013.5 34
+  195.1129 74457.4 15
+  198.124 270049.8 56
+  200.1396 1057681.8 221
+  208.1092 166000.1 34
+  211.0716 105012.2 21
+  212.1395 102132.9 21
+  222.1245 100333.9 20
+  265.1661 2332023 488
+  283.1766 595793.9 124
+  295.1807 448171.8 93
+  311.1715 69057.4 14
+  313.1802 115211.8 24
+//
diff --git a/Eawag/MSBNK-EAWAG-ED189457.txt b/Eawag/MSBNK-EAWAG-ED189457.txt
new file mode 100644
index 0000000000..cb5f83a94b
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED189457.txt
@@ -0,0 +1,167 @@
+ACCESSION: MSBNK-EAWAG-ED189457
+RECORD_TITLE: MC-LA; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 1
+COMMENT: CyanoMetDB_ID 1894
+CH$NAME: MC-LA
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-8-isobutyl-18-((1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl)-1,5,12,15,19-pentamethyl-2-methylene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptaazacyclopentacosane-11,22-dicarboxylic acid
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,15,19-pentamethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C46H67N7O12
+CH$EXACT_MASS: 909.4847706
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](C)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C46H67N7O12/c1-24(2)21-35-44(60)52-38(46(63)64)28(6)40(56)47-29(7)41(57)49-33(18-17-25(3)22-26(4)36(65-11)23-32-15-13-12-14-16-32)27(5)39(55)50-34(45(61)62)19-20-37(54)53(10)31(9)43(59)48-30(8)42(58)51-35/h12-18,22,24,26-30,33-36,38H,9,19-21,23H2,1-8,10-11H3,(H,47,56)(H,48,59)(H,49,57)(H,50,55)(H,51,58)(H,52,60)(H,61,62)(H,63,64)/b18-17+,25-22+/t26-,27-,28-,29-,30+,33-,34+,35-,36-,38+/m0/s1
+CH$LINK: CAS 96180-79-9
+CH$LINK: CHEBI 191135
+CH$LINK: PUBCHEM CID:6437382
+CH$LINK: INCHIKEY DIAQQISRBBDJIM-DRSCAGMXSA-N
+CH$LINK: CHEMSPIDER 4941946
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 94-948
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.352 min
+MS$FOCUSED_ION: BASE_PEAK 908.478
+MS$FOCUSED_ION: PRECURSOR_M/Z 908.4775
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0059-0910000000-a7dbef80eddd843d4b8f
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  96.0453 C5H6NO- 1 96.0455 -2.21
+  96.0817 C6H10N- 1 96.0819 -1.9
+  97.0407 C4H5N2O- 1 97.0407 -0.29
+  98.0245 C4H4NO2- 1 98.0248 -2.35
+  98.0611 C5H8NO- 1 98.0611 -0.18
+  99.0563 C4H7N2O- 1 99.0564 -0.87
+  109.0166 C5H3NO2- 1 109.0169 -2.88
+  109.0407 C5H5N2O- 1 109.0407 -0.55
+  110.0246 C5H4NO2- 1 110.0248 -0.98
+  110.061 C6H8NO- 1 110.0611 -0.86
+  111.0198 C4H3N2O2- 1 111.02 -1.73
+  111.0562 C5H7N2O- 1 111.0564 -1.25
+  112.0402 C5H6NO2- 1 112.0404 -1.9
+  112.0767 C6H10NO- 1 112.0768 -1.22
+  113.0355 C4H5N2O2- 1 113.0357 -1.47
+  121.0293 C7H5O2- 1 121.0295 -2
+  122.0609 C7H8NO- 1 122.0611 -2.21
+  122.0975 C8H12N- 1 122.0975 -0.1
+  123.0326 C6H5NO2- 1 123.0326 -0.12
+  123.0563 C6H7N2O- 1 123.0564 -0.73
+  124.0402 C6H6NO2- 1 124.0404 -1.59
+  125.0354 C5H5N2O2- 1 125.0357 -2.39
+  125.0718 C6H9N2O- 1 125.072 -1.79
+  126.0558 C6H8NO2- 1 126.0561 -1.83
+  127.0511 C5H7N2O2- 1 127.0513 -1.54
+  127.0873 C6H11N2O- 1 127.0877 -2.75
+  128.0352 C5H6NO3- 1 128.0353 -1.17
+  129.1032 C6H13N2O- 1 129.1033 -1.29
+  130.0874 C6H12NO2- 1 130.0874 0.73
+  131.0863 C10H11- 1 131.0866 -2.15
+  135.0561 C7H7N2O- 1 135.0564 -2.1
+  136.113 C9H14N- 1 136.1132 -1.19
+  137.0718 C7H9N2O- 1 137.072 -2.02
+  138.0431 C6H6N2O2- 1 138.0435 -2.64
+  138.0559 C7H8NO2- 1 138.0561 -1.45
+  139.051 C6H7N2O2- 1 139.0513 -2
+  139.0874 C7H11N2O- 1 139.0877 -2.07
+  140.0718 C7H10NO2- 1 140.0717 0.44
+  150.0557 C8H8NO2- 1 150.0561 -2.61
+  151.0874 C8H11N2O- 1 151.0877 -1.59
+  152.0827 C7H10N3O- 1 152.0829 -1.23
+  153.0665 C7H9N2O2- 1 153.067 -3.24
+  153.1019 C6H11N5- 1 153.102 -0.51
+  155.0823 C7H11N2O2- 1 155.0826 -1.85
+  155.1183 C6H13N5- 2 155.1176 4.49
+  157.1346 C8H17N2O- 1 157.1346 0.03
+  163.0507 C8H7N2O2- 2 163.0513 -3.82
+  165.1028 C9H13N2O- 1 165.1033 -3.1
+  167.0818 C8H11N2O2- 2 167.0826 -4.57
+  167.1187 C9H15N2O- 1 167.119 -1.88
+  169.1346 C9H17N2O- 1 169.1346 -0.42
+  170.0927 C7H12N3O2- 2 170.0935 -4.96
+  180.1138 C9H14N3O- 2 180.1142 -2.68
+  181.0615 C8H9N2O3- 1 181.0619 -2.18
+  181.0975 C7H11N5O- 2 181.0969 3.33
+  182.1291 C7H14N6- 2 182.1285 3.09
+  183.1135 C9H15N2O2- 1 183.1139 -1.99
+  200.1397 C7H16N6O- 2 200.1391 3.09
+  208.1097 C10H14N3O2- 2 208.1092 2.52
+  212.1396 C8H16N6O- 2 212.1391 2.3
+  265.1661 C13H21N4O2- 3 265.167 -3.34
+PK$NUM_PEAK: 61
+PK$PEAK: m/z int. rel.int.
+  96.0453 53532.6 18
+  96.0817 50116.1 17
+  97.0407 98538.6 34
+  98.0245 46288.8 16
+  98.0611 51217.2 17
+  99.0563 516615.8 179
+  109.0166 30635.6 10
+  109.0407 107791 37
+  110.0246 687408 238
+  110.061 64751 22
+  111.0198 75127.4 26
+  111.0562 281173.9 97
+  112.0402 201806.1 69
+  112.0767 122767.8 42
+  113.0355 246939.7 85
+  121.0293 45839.8 15
+  122.0609 46103.1 15
+  122.0975 62692.9 21
+  123.0326 75835 26
+  123.0563 163311.5 56
+  124.0402 483477.2 167
+  125.0354 65049 22
+  125.0718 186802.4 64
+  126.0558 40271.2 13
+  127.0511 132191 45
+  127.0873 55706.3 19
+  128.0352 2880248.5 999
+  129.1032 935760.6 324
+  130.0874 81447.5 28
+  131.0863 150374.5 52
+  135.0561 50630.9 17
+  136.113 69720.6 24
+  137.0718 254293.7 88
+  138.0431 96280.7 33
+  138.0559 285000.3 98
+  139.051 67409.4 23
+  139.0874 468618 162
+  140.0718 55932.7 19
+  150.0557 181658.3 63
+  151.0874 39216.2 13
+  152.0827 60281.2 20
+  153.0665 454917.8 157
+  153.1019 84970.4 29
+  155.0823 382085.6 132
+  155.1183 110518.4 38
+  157.1346 58662.1 20
+  163.0507 131773.6 45
+  165.1028 863120.5 299
+  167.0818 178483.7 61
+  167.1187 34858.6 12
+  169.1346 31862.3 11
+  170.0927 134958.6 46
+  180.1138 619150.3 214
+  181.0615 80529.6 27
+  181.0975 46957.3 16
+  182.1291 1298847.2 450
+  183.1135 166291.9 57
+  200.1397 570595.2 197
+  208.1097 202249.2 70
+  212.1396 37083.9 12
+  265.1661 732028.2 253
+//
diff --git a/Eawag/MSBNK-EAWAG-ED189458.txt b/Eawag/MSBNK-EAWAG-ED189458.txt
new file mode 100644
index 0000000000..12506e2655
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED189458.txt
@@ -0,0 +1,161 @@
+ACCESSION: MSBNK-EAWAG-ED189458
+RECORD_TITLE: MC-LA; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 1
+COMMENT: CyanoMetDB_ID 1894
+CH$NAME: MC-LA
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-8-isobutyl-18-((1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl)-1,5,12,15,19-pentamethyl-2-methylene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptaazacyclopentacosane-11,22-dicarboxylic acid
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,15,19-pentamethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C46H67N7O12
+CH$EXACT_MASS: 909.4847706
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](C)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C46H67N7O12/c1-24(2)21-35-44(60)52-38(46(63)64)28(6)40(56)47-29(7)41(57)49-33(18-17-25(3)22-26(4)36(65-11)23-32-15-13-12-14-16-32)27(5)39(55)50-34(45(61)62)19-20-37(54)53(10)31(9)43(59)48-30(8)42(58)51-35/h12-18,22,24,26-30,33-36,38H,9,19-21,23H2,1-8,10-11H3,(H,47,56)(H,48,59)(H,49,57)(H,50,55)(H,51,58)(H,52,60)(H,61,62)(H,63,64)/b18-17+,25-22+/t26-,27-,28-,29-,30+,33-,34+,35-,36-,38+/m0/s1
+CH$LINK: CAS 96180-79-9
+CH$LINK: CHEBI 191135
+CH$LINK: PUBCHEM CID:6437382
+CH$LINK: INCHIKEY DIAQQISRBBDJIM-DRSCAGMXSA-N
+CH$LINK: CHEMSPIDER 4941946
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 94-948
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.352 min
+MS$FOCUSED_ION: BASE_PEAK 908.478
+MS$FOCUSED_ION: PRECURSOR_M/Z 908.4775
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0059-0900000000-ed168576bb91087fa790
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  95.0253 C4H3N2O- 1 95.0251 2.23
+  96.0328 C4H4N2O- 1 96.0329 -0.67
+  96.0453 C5H6NO- 1 96.0455 -2.45
+  97.0408 C4H5N2O- 1 97.0407 0.49
+  98.0246 C4H4NO2- 1 98.0248 -1.49
+  98.061 C5H8NO- 1 98.0611 -1.27
+  99.0564 C4H7N2O- 1 99.0564 -0.02
+  100.0403 C4H6NO2- 1 100.0404 -0.53
+  102.0558 C4H8NO2- 1 102.0561 -2.19
+  108.0326 C5H4N2O- 1 108.0329 -2.89
+  108.0453 C6H6NO- 1 108.0455 -1.58
+  109.0407 C5H5N2O- 1 109.0407 -0.2
+  110.0247 C5H4NO2- 1 110.0248 -0.15
+  111.0201 C4H3N2O2- 1 111.02 1.09
+  111.0563 C5H7N2O- 1 111.0564 -0.5
+  112.0402 C5H6NO2- 1 112.0404 -1.62
+  112.0766 C6H10NO- 1 112.0768 -1.56
+  113.0356 C4H5N2O2- 1 113.0357 -0.8
+  121.0535 C7H7NO- 1 121.0533 1.48
+  122.0609 C7H8NO- 1 122.0611 -2.15
+  122.0972 C8H12N- 1 122.0975 -2.97
+  123.0328 C6H5NO2- 1 123.0326 1.67
+  123.0441 C5H5N3O- 1 123.0438 2.46
+  123.0558 C6H7N2O- 1 123.0564 -4.76
+  124.0403 C6H6NO2- 1 124.0404 -1.16
+  125.0593 C5H7N3O- 1 125.0595 -1.46
+  125.0719 C6H9N2O- 1 125.072 -1.48
+  126.056 C6H8NO2- 1 126.0561 -0.8
+  127.051 C5H7N2O2- 1 127.0513 -2.68
+  128.0352 C5H6NO3- 1 128.0353 -1.05
+  129.1032 C6H13N2O- 1 129.1033 -1.17
+  130.0873 C6H12NO2- 1 130.0874 -0.33
+  131.0865 C10H11- 1 131.0866 -1.11
+  135.0564 C7H7N2O- 1 135.0564 -0.18
+  136.1129 C9H14N- 1 136.1132 -2.09
+  137.0717 C7H9N2O- 1 137.072 -2.13
+  138.0432 C6H6N2O2- 1 138.0435 -2.09
+  138.056 C7H8NO2- 1 138.0561 -0.67
+  139.0511 C6H7N2O2- 1 139.0513 -1.67
+  139.0874 C7H11N2O- 1 139.0877 -2.07
+  150.0557 C8H8NO2- 1 150.0561 -2.61
+  152.0831 C7H10N3O- 1 152.0829 1.18
+  153.0665 C7H9N2O2- 1 153.067 -2.64
+  153.1023 C6H11N5- 1 153.102 2.19
+  155.0822 C7H11N2O2- 1 155.0826 -2.64
+  155.1184 C6H13N5- 2 155.1176 4.88
+  157.1345 C8H17N2O- 1 157.1346 -0.56
+  163.0509 C8H7N2O2- 1 163.0513 -2.23
+  165.1028 C9H13N2O- 1 165.1033 -3
+  167.082 C8H11N2O2- 2 167.0826 -3.47
+  169.134 C9H17N2O- 2 169.1346 -3.48
+  170.0932 C7H12N3O2- 1 170.0935 -2
+  180.1139 C9H14N3O- 1 180.1142 -2.09
+  182.1292 C7H14N6- 2 182.1285 3.68
+  193.0721 C8H9N4O2- 3 193.0731 -4.92
+  198.1241 C7H14N6O- 2 198.1235 3.03
+  200.1396 C7H16N6O- 2 200.1391 2.33
+  265.1662 C13H21N4O2- 3 265.167 -2.88
+PK$NUM_PEAK: 58
+PK$PEAK: m/z int. rel.int.
+  95.0253 28978.4 16
+  96.0328 32135.5 18
+  96.0453 49382.7 28
+  97.0408 115220.3 66
+  98.0246 25290.2 14
+  98.061 39283.7 22
+  99.0564 426288.5 247
+  100.0403 32732.8 19
+  102.0558 23540.1 13
+  108.0326 52828 30
+  108.0453 43336.2 25
+  109.0407 152355.8 88
+  110.0247 683328.1 397
+  111.0201 72006.1 41
+  111.0563 182259 105
+  112.0402 197176.6 114
+  112.0766 143125.6 83
+  113.0356 219561.6 127
+  121.0535 18216.9 10
+  122.0609 52497.1 30
+  122.0972 68807.9 39
+  123.0328 142959.2 83
+  123.0441 35485.3 20
+  123.0558 145742.1 84
+  124.0403 333836.6 194
+  125.0593 77339.6 44
+  125.0719 174658.1 101
+  126.056 26529.5 15
+  127.051 149882.2 87
+  128.0352 1718759.4 999
+  129.1032 781078 453
+  130.0873 57091 33
+  131.0865 58345.8 33
+  135.0564 61845.9 35
+  136.1129 39321.7 22
+  137.0717 190137.3 110
+  138.0432 121818 70
+  138.056 225501.5 131
+  139.0511 55584.3 32
+  139.0874 376638.2 218
+  150.0557 188726.7 109
+  152.0831 53392.8 31
+  153.0665 232308.6 135
+  153.1023 78834.7 45
+  155.0822 207587.6 120
+  155.1184 102120.4 59
+  157.1345 40044.7 23
+  163.0509 115414.5 67
+  165.1028 508626 295
+  167.082 118562.9 68
+  169.134 52630.7 30
+  170.0932 57830.7 33
+  180.1139 421971.6 245
+  182.1292 1113325.8 647
+  193.0721 39710.7 23
+  198.1241 70431.3 40
+  200.1396 247603.3 143
+  265.1662 137853.2 80
+//
diff --git a/Eawag/MSBNK-EAWAG-ED189459.txt b/Eawag/MSBNK-EAWAG-ED189459.txt
new file mode 100644
index 0000000000..3168d331eb
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED189459.txt
@@ -0,0 +1,123 @@
+ACCESSION: MSBNK-EAWAG-ED189459
+RECORD_TITLE: MC-LA; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 1
+COMMENT: CyanoMetDB_ID 1894
+CH$NAME: MC-LA
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-8-isobutyl-18-((1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl)-1,5,12,15,19-pentamethyl-2-methylene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptaazacyclopentacosane-11,22-dicarboxylic acid
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,15,19-pentamethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C46H67N7O12
+CH$EXACT_MASS: 909.4847706
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](C)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C46H67N7O12/c1-24(2)21-35-44(60)52-38(46(63)64)28(6)40(56)47-29(7)41(57)49-33(18-17-25(3)22-26(4)36(65-11)23-32-15-13-12-14-16-32)27(5)39(55)50-34(45(61)62)19-20-37(54)53(10)31(9)43(59)48-30(8)42(58)51-35/h12-18,22,24,26-30,33-36,38H,9,19-21,23H2,1-8,10-11H3,(H,47,56)(H,48,59)(H,49,57)(H,50,55)(H,51,58)(H,52,60)(H,61,62)(H,63,64)/b18-17+,25-22+/t26-,27-,28-,29-,30+,33-,34+,35-,36-,38+/m0/s1
+CH$LINK: CAS 96180-79-9
+CH$LINK: CHEBI 191135
+CH$LINK: PUBCHEM CID:6437382
+CH$LINK: INCHIKEY DIAQQISRBBDJIM-DRSCAGMXSA-N
+CH$LINK: CHEMSPIDER 4941946
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 94-948
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.352 min
+MS$FOCUSED_ION: BASE_PEAK 908.478
+MS$FOCUSED_ION: PRECURSOR_M/Z 908.4775
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-01u0-0900000000-6c28103b71871f33c22b
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  95.0253 C4H3N2O- 1 95.0251 1.91
+  96.0329 C4H4N2O- 1 96.0329 -0.12
+  96.0455 C5H6NO- 1 96.0455 0.25
+  96.0819 C6H10N- 1 96.0819 0
+  97.0408 C4H5N2O- 1 97.0407 0.49
+  99.0563 C4H7N2O- 1 99.0564 -0.48
+  109.0405 C5H5N2O- 1 109.0407 -2.02
+  110.0247 C5H4NO2- 1 110.0248 -0.36
+  111.0199 C4H3N2O2- 1 111.02 -0.69
+  111.0563 C5H7N2O- 1 111.0564 -0.91
+  112.0403 C5H6NO2- 1 112.0404 -0.6
+  112.0767 C6H10NO- 1 112.0768 -0.75
+  113.0355 C4H5N2O2- 1 113.0357 -1.07
+  122.0972 C8H12N- 1 122.0975 -2.78
+  123.0325 C6H5NO2- 1 123.0326 -0.74
+  123.044 C5H5N3O- 1 123.0438 1.71
+  124.0404 C6H6NO2- 1 124.0404 -0.36
+  125.0354 C5H5N2O2- 1 125.0357 -2.08
+  125.0594 C5H7N3O- 1 125.0595 -0.18
+  125.072 C6H9N2O- 1 125.072 -0.32
+  126.0557 C6H8NO2- 1 126.0561 -2.62
+  127.0513 C5H7N2O2- 1 127.0513 -0.04
+  128.0352 C5H6NO3- 1 128.0353 -1.29
+  129.1032 C6H13N2O- 1 129.1033 -1.29
+  135.0327 C7H5NO2- 1 135.0326 0.65
+  135.0565 C7H7N2O- 1 135.0564 0.5
+  137.0717 C7H9N2O- 1 137.072 -2.8
+  138.0432 C6H6N2O2- 1 138.0435 -1.65
+  138.0562 C7H8NO2- 1 138.0561 0.76
+  139.0514 C6H7N2O2- 1 139.0513 0.74
+  139.0874 C7H11N2O- 1 139.0877 -2.18
+  153.0669 C7H9N2O2- 1 153.067 -0.65
+  155.0824 C7H11N2O2- 1 155.0826 -1.46
+  165.1027 C9H13N2O- 2 165.1033 -3.93
+  169.134 C9H17N2O- 2 169.1346 -3.84
+  180.1137 C9H14N3O- 2 180.1142 -3.02
+  182.1292 C7H14N6- 2 182.1285 3.51
+  183.1135 C9H15N2O2- 1 183.1139 -2.07
+  208.1083 C10H14N3O2- 2 208.1092 -3.93
+PK$NUM_PEAK: 39
+PK$PEAK: m/z int. rel.int.
+  95.0253 29077.1 39
+  96.0329 15978.3 21
+  96.0455 41612.9 56
+  96.0819 79224.1 107
+  97.0408 104828 142
+  99.0563 226002.8 307
+  109.0405 134455.6 182
+  110.0247 568344.8 773
+  111.0199 59948.3 81
+  111.0563 99111.7 134
+  112.0403 107410.8 146
+  112.0767 108366.1 147
+  113.0355 162830.6 221
+  122.0972 39537.3 53
+  123.0325 128427.2 174
+  123.044 38958.3 53
+  124.0404 209342.8 284
+  125.0354 46245.1 62
+  125.0594 129021.7 175
+  125.072 94784.1 128
+  126.0557 30159.3 41
+  127.0513 74708.9 101
+  128.0352 734160.4 999
+  129.1032 484585.1 659
+  135.0327 23159.2 31
+  135.0565 53671.4 73
+  137.0717 97520.6 132
+  138.0432 117440.9 159
+  138.0562 116205.2 158
+  139.0514 39229.8 53
+  139.0874 216248.5 294
+  153.0669 85386.7 116
+  155.0824 74148 100
+  165.1027 238412.9 324
+  169.134 35175.2 47
+  180.1137 162149.7 220
+  182.1292 632424.6 860
+  183.1135 32086 43
+  208.1083 50079.2 68
+//
diff --git a/Eawag/MSBNK-EAWAG-ED189501.txt b/Eawag/MSBNK-EAWAG-ED189501.txt
new file mode 100644
index 0000000000..60a32a38fe
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED189501.txt
@@ -0,0 +1,43 @@
+ACCESSION: MSBNK-EAWAG-ED189501
+RECORD_TITLE: [D-Asp3]MC-RY; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], A. Ballot [dtc], A. Dax [com] * Tentative, please confirm before release
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1895
+CH$NAME: [D-Asp3]MC-RY
+CH$NAME: (5R,8S,11R,15S,18S,19S,22R)-8-[3-(diaminomethylideneamino)propyl]-15-[(4-hydroxyphenyl)methyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,19-trimethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C51H70N10O13
+CH$EXACT_MASS: 1030.512382
+CH$SMILES: O=C(N(C)C(C(N[C@@H](C1=O)C)=O)=C)CC[C@H](C(O)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CC3=CC=C(O)C=C3)NC(C[C@H](C(O)=O)NC([C@@H](N1)CCCNC(N)=N)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C51H70N10O13/c1-28(24-29(2)41(74-7)26-33-12-9-8-10-13-33)15-20-36-30(3)44(65)59-38(49(70)71)21-22-43(64)61(6)32(5)46(67)55-31(4)45(66)58-37(14-11-23-54-51(52)53)47(68)60-40(50(72)73)27-42(63)56-39(48(69)57-36)25-34-16-18-35(62)19-17-34/h8-10,12-13,15-20,24,29-31,36-41,62H,5,11,14,21-23,25-27H2,1-4,6-7H3,(H,55,67)(H,56,63)(H,57,69)(H,58,66)(H,59,65)(H,60,68)(H,70,71)(H,72,73)(H4,52,53,54)/b20-15+,28-24+/t29-,30-,31+,36-,37-,38+,39-,40+,41-/m0/s1
+CH$LINK: PUBCHEM CID:155801630
+CH$LINK: INCHIKEY AKRUYPJUAZTDLQ-XAIZWMDNSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 107-1073
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 17.053 min
+MS$FOCUSED_ION: BASE_PEAK 1031.5183
+MS$FOCUSED_ION: PRECURSOR_M/Z 1031.5197
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-001i-9000000000-efc2d2243af189b35a6f
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  1031.5175 C51H71N10O13+ 1 1031.5197 -2.12
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  1031.5175 85956080 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED189502.txt b/Eawag/MSBNK-EAWAG-ED189502.txt
new file mode 100644
index 0000000000..fe32ea9a9f
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED189502.txt
@@ -0,0 +1,43 @@
+ACCESSION: MSBNK-EAWAG-ED189502
+RECORD_TITLE: [D-Asp3]MC-RY; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], A. Ballot [dtc], A. Dax [com] * Tentative, please confirm before release
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1895
+CH$NAME: [D-Asp3]MC-RY
+CH$NAME: (5R,8S,11R,15S,18S,19S,22R)-8-[3-(diaminomethylideneamino)propyl]-15-[(4-hydroxyphenyl)methyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,19-trimethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C51H70N10O13
+CH$EXACT_MASS: 1030.512382
+CH$SMILES: O=C(N(C)C(C(N[C@@H](C1=O)C)=O)=C)CC[C@H](C(O)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CC3=CC=C(O)C=C3)NC(C[C@H](C(O)=O)NC([C@@H](N1)CCCNC(N)=N)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C51H70N10O13/c1-28(24-29(2)41(74-7)26-33-12-9-8-10-13-33)15-20-36-30(3)44(65)59-38(49(70)71)21-22-43(64)61(6)32(5)46(67)55-31(4)45(66)58-37(14-11-23-54-51(52)53)47(68)60-40(50(72)73)27-42(63)56-39(48(69)57-36)25-34-16-18-35(62)19-17-34/h8-10,12-13,15-20,24,29-31,36-41,62H,5,11,14,21-23,25-27H2,1-4,6-7H3,(H,55,67)(H,56,63)(H,57,69)(H,58,66)(H,59,65)(H,60,68)(H,70,71)(H,72,73)(H4,52,53,54)/b20-15+,28-24+/t29-,30-,31+,36-,37-,38+,39-,40+,41-/m0/s1
+CH$LINK: PUBCHEM CID:155801630
+CH$LINK: INCHIKEY AKRUYPJUAZTDLQ-XAIZWMDNSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 107-1073
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 17.053 min
+MS$FOCUSED_ION: BASE_PEAK 1031.5183
+MS$FOCUSED_ION: PRECURSOR_M/Z 1031.5197
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-001i-9000000000-0de4b74de43ffa1ed01f
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  1031.5178 C51H71N10O13+ 1 1031.5197 -1.77
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  1031.5178 89391208 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED189503.txt b/Eawag/MSBNK-EAWAG-ED189503.txt
new file mode 100644
index 0000000000..695f774122
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED189503.txt
@@ -0,0 +1,45 @@
+ACCESSION: MSBNK-EAWAG-ED189503
+RECORD_TITLE: [D-Asp3]MC-RY; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], A. Ballot [dtc], A. Dax [com] * Tentative, please confirm before release
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1895
+CH$NAME: [D-Asp3]MC-RY
+CH$NAME: (5R,8S,11R,15S,18S,19S,22R)-8-[3-(diaminomethylideneamino)propyl]-15-[(4-hydroxyphenyl)methyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,19-trimethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C51H70N10O13
+CH$EXACT_MASS: 1030.512382
+CH$SMILES: O=C(N(C)C(C(N[C@@H](C1=O)C)=O)=C)CC[C@H](C(O)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CC3=CC=C(O)C=C3)NC(C[C@H](C(O)=O)NC([C@@H](N1)CCCNC(N)=N)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C51H70N10O13/c1-28(24-29(2)41(74-7)26-33-12-9-8-10-13-33)15-20-36-30(3)44(65)59-38(49(70)71)21-22-43(64)61(6)32(5)46(67)55-31(4)45(66)58-37(14-11-23-54-51(52)53)47(68)60-40(50(72)73)27-42(63)56-39(48(69)57-36)25-34-16-18-35(62)19-17-34/h8-10,12-13,15-20,24,29-31,36-41,62H,5,11,14,21-23,25-27H2,1-4,6-7H3,(H,55,67)(H,56,63)(H,57,69)(H,58,66)(H,59,65)(H,60,68)(H,70,71)(H,72,73)(H4,52,53,54)/b20-15+,28-24+/t29-,30-,31+,36-,37-,38+,39-,40+,41-/m0/s1
+CH$LINK: PUBCHEM CID:155801630
+CH$LINK: INCHIKEY AKRUYPJUAZTDLQ-XAIZWMDNSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 107-1073
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 17.053 min
+MS$FOCUSED_ION: BASE_PEAK 1031.5183
+MS$FOCUSED_ION: PRECURSOR_M/Z 1031.5197
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-001i-9000000000-892346427a0f94d1f59a
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  1003.5234 C50H71N10O12+ 1 1003.5247 -1.34
+  1031.5181 C51H71N10O13+ 1 1031.5197 -1.53
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  1003.5234 1237973.9 16
+  1031.5181 73287056 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED189504.txt b/Eawag/MSBNK-EAWAG-ED189504.txt
new file mode 100644
index 0000000000..f61de57607
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED189504.txt
@@ -0,0 +1,67 @@
+ACCESSION: MSBNK-EAWAG-ED189504
+RECORD_TITLE: [D-Asp3]MC-RY; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], A. Ballot [dtc], A. Dax [com] * Tentative, please confirm before release
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1895
+CH$NAME: [D-Asp3]MC-RY
+CH$NAME: (5R,8S,11R,15S,18S,19S,22R)-8-[3-(diaminomethylideneamino)propyl]-15-[(4-hydroxyphenyl)methyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,19-trimethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C51H70N10O13
+CH$EXACT_MASS: 1030.512382
+CH$SMILES: O=C(N(C)C(C(N[C@@H](C1=O)C)=O)=C)CC[C@H](C(O)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CC3=CC=C(O)C=C3)NC(C[C@H](C(O)=O)NC([C@@H](N1)CCCNC(N)=N)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C51H70N10O13/c1-28(24-29(2)41(74-7)26-33-12-9-8-10-13-33)15-20-36-30(3)44(65)59-38(49(70)71)21-22-43(64)61(6)32(5)46(67)55-31(4)45(66)58-37(14-11-23-54-51(52)53)47(68)60-40(50(72)73)27-42(63)56-39(48(69)57-36)25-34-16-18-35(62)19-17-34/h8-10,12-13,15-20,24,29-31,36-41,62H,5,11,14,21-23,25-27H2,1-4,6-7H3,(H,55,67)(H,56,63)(H,57,69)(H,58,66)(H,59,65)(H,60,68)(H,70,71)(H,72,73)(H4,52,53,54)/b20-15+,28-24+/t29-,30-,31+,36-,37-,38+,39-,40+,41-/m0/s1
+CH$LINK: PUBCHEM CID:155801630
+CH$LINK: INCHIKEY AKRUYPJUAZTDLQ-XAIZWMDNSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 107-1073
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 17.053 min
+MS$FOCUSED_ION: BASE_PEAK 1031.5183
+MS$FOCUSED_ION: PRECURSOR_M/Z 1031.5197
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-001i-9000000000-4f57beb23f10de8f3b33
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  135.0803 C9H11O+ 1 135.0804 -1.17
+  163.1115 C11H15O+ 1 163.1117 -1.62
+  213.0859 C7H11N5O3+ 1 213.0856 1.06
+  294.1551 C12H24NO7+ 3 294.1547 1.34
+  311.1811 C13H23N6O3+ 4 311.1826 -4.77
+  329.1924 C12H29N2O8+ 3 329.1918 1.56
+  409.183 C17H25N6O6+ 7 409.183 -0.06
+  426.2097 C18H34O11+ 7 426.2096 0.39
+  897.4454 C44H63N7O13+ 3 897.4478 -2.68
+  959.5343 C49H71N10O10+ 1 959.5349 -0.65
+  960.4869 C51H64N10O9+ 3 960.4852 1.77
+  1003.5235 C50H71N10O12+ 1 1003.5247 -1.28
+  1031.5189 C51H71N10O13+ 1 1031.5197 -0.7
+PK$NUM_PEAK: 13
+PK$PEAK: m/z int. rel.int.
+  135.0803 731951.2 22
+  163.1115 463300.6 14
+  213.0859 611427.1 19
+  294.1551 611352.1 19
+  311.1811 358359.3 11
+  329.1924 768964.3 24
+  409.183 350967.2 10
+  426.2097 1745703.8 54
+  897.4454 672026.9 20
+  959.5343 1757067.1 54
+  960.4869 372441.8 11
+  1003.5235 2982114 93
+  1031.5189 31975790 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED189505.txt b/Eawag/MSBNK-EAWAG-ED189505.txt
new file mode 100644
index 0000000000..f7001708c8
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED189505.txt
@@ -0,0 +1,117 @@
+ACCESSION: MSBNK-EAWAG-ED189505
+RECORD_TITLE: [D-Asp3]MC-RY; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], A. Ballot [dtc], A. Dax [com] * Tentative, please confirm before release
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1895
+CH$NAME: [D-Asp3]MC-RY
+CH$NAME: (5R,8S,11R,15S,18S,19S,22R)-8-[3-(diaminomethylideneamino)propyl]-15-[(4-hydroxyphenyl)methyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,19-trimethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C51H70N10O13
+CH$EXACT_MASS: 1030.512382
+CH$SMILES: O=C(N(C)C(C(N[C@@H](C1=O)C)=O)=C)CC[C@H](C(O)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CC3=CC=C(O)C=C3)NC(C[C@H](C(O)=O)NC([C@@H](N1)CCCNC(N)=N)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C51H70N10O13/c1-28(24-29(2)41(74-7)26-33-12-9-8-10-13-33)15-20-36-30(3)44(65)59-38(49(70)71)21-22-43(64)61(6)32(5)46(67)55-31(4)45(66)58-37(14-11-23-54-51(52)53)47(68)60-40(50(72)73)27-42(63)56-39(48(69)57-36)25-34-16-18-35(62)19-17-34/h8-10,12-13,15-20,24,29-31,36-41,62H,5,11,14,21-23,25-27H2,1-4,6-7H3,(H,55,67)(H,56,63)(H,57,69)(H,58,66)(H,59,65)(H,60,68)(H,70,71)(H,72,73)(H4,52,53,54)/b20-15+,28-24+/t29-,30-,31+,36-,37-,38+,39-,40+,41-/m0/s1
+CH$LINK: PUBCHEM CID:155801630
+CH$LINK: INCHIKEY AKRUYPJUAZTDLQ-XAIZWMDNSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 107-1073
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 17.053 min
+MS$FOCUSED_ION: BASE_PEAK 1031.5183
+MS$FOCUSED_ION: PRECURSOR_M/Z 1031.5197
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-01ri-0930000000-23e869ca192ff16164a7
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  112.0868 C5H10N3+ 1 112.0869 -1.12
+  113.0711 C5H9N2O+ 1 113.0709 1.13
+  114.1028 C5H12N3+ 1 114.1026 1.67
+  115.0865 C5H11N2O+ 1 115.0866 -1.12
+  117.0697 C9H9+ 1 117.0699 -1.43
+  124.1124 C8H14N+ 1 124.1121 2.26
+  127.0865 C6H11N2O+ 1 127.0866 -0.5
+  131.0851 C10H11+ 1 131.0855 -2.93
+  133.1008 C10H13+ 1 133.1012 -3.19
+  135.0804 C9H11O+ 1 135.0804 -0.49
+  135.1166 C10H15+ 1 135.1168 -1.57
+  136.0755 C8H10NO+ 1 136.0757 -1.44
+  138.0547 C7H8NO2+ 1 138.055 -1.86
+  140.082 C6H10N3O+ 1 140.0818 0.97
+  145.1011 C11H13+ 1 145.1012 -0.21
+  149.0711 C8H9N2O+ 1 149.0709 0.96
+  151.0861 C8H11N2O+ 1 151.0866 -3.13
+  155.0813 C7H11N2O2+ 1 155.0815 -1.59
+  158.0921 C6H12N3O2+ 1 158.0924 -2.02
+  163.1116 C11H15O+ 1 163.1117 -1.15
+  167.081 C8H11N2O2+ 1 167.0815 -3.01
+  169.0971 C8H13N2O2+ 1 169.0972 -0.07
+  175.1186 C6H15N4O2+ 1 175.119 -2.14
+  183.1227 C7H19O5+ 2 183.1227 0.04
+  195.0755 C7H9N5O2+ 2 195.0751 2.37
+  210.0858 C7H10N6O2+ 1 210.086 -1.02
+  211.1181 C8H19O6+ 3 211.1176 2.46
+  213.0858 C7H11N5O3+ 1 213.0856 0.85
+  238.1184 C11H16N3O3+ 2 238.1186 -0.82
+  239.0651 C8H9N5O4+ 3 239.0649 0.75
+  251.1009 C10H13N5O3+ 3 251.1013 -1.37
+  255.107 C8H13N7O3+ 4 255.1074 -1.87
+  272.1335 C8H16N8O3+ 3 272.134 -1.95
+  283.1874 C12H23N6O2+ 3 283.1877 -0.95
+  294.1552 C12H24NO7+ 3 294.1547 1.65
+  311.1823 C13H23N6O3+ 3 311.1826 -1.14
+  409.1833 C17H25N6O6+ 7 409.183 0.68
+  426.2097 C18H34O11+ 7 426.2096 0.32
+PK$NUM_PEAK: 38
+PK$PEAK: m/z int. rel.int.
+  112.0868 857097.9 221
+  113.0711 270710.3 70
+  114.1028 57742.6 14
+  115.0865 358799 92
+  117.0697 248236.1 64
+  124.1124 174254.5 45
+  127.0865 2661372.5 689
+  131.0851 127859.5 33
+  133.1008 67380.4 17
+  135.0804 3858786 999
+  135.1166 1569495.4 406
+  136.0755 492827.4 127
+  138.0547 286981.2 74
+  140.082 80252.8 20
+  145.1011 87322 22
+  149.0711 61820.4 16
+  151.0861 56196.7 14
+  155.0813 1698193 439
+  158.0921 283253.4 73
+  163.1116 1153942.2 298
+  167.081 429935.5 111
+  169.0971 115329.6 29
+  175.1186 599431.8 155
+  183.1227 101080.5 26
+  195.0755 466935.5 120
+  210.0858 69300.3 17
+  211.1181 489011.8 126
+  213.0858 2250108.5 582
+  238.1184 275160.5 71
+  239.0651 669017.9 173
+  251.1009 434787.1 112
+  255.107 339875.8 87
+  272.1335 202095.1 52
+  283.1874 162849.1 42
+  294.1552 1075897.2 278
+  311.1823 766304.4 198
+  409.1833 479695.1 124
+  426.2097 1020900.9 264
+//
diff --git a/Eawag/MSBNK-EAWAG-ED189506.txt b/Eawag/MSBNK-EAWAG-ED189506.txt
new file mode 100644
index 0000000000..d53812968f
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED189506.txt
@@ -0,0 +1,133 @@
+ACCESSION: MSBNK-EAWAG-ED189506
+RECORD_TITLE: [D-Asp3]MC-RY; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], A. Ballot [dtc], A. Dax [com] * Tentative, please confirm before release
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1895
+CH$NAME: [D-Asp3]MC-RY
+CH$NAME: (5R,8S,11R,15S,18S,19S,22R)-8-[3-(diaminomethylideneamino)propyl]-15-[(4-hydroxyphenyl)methyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,19-trimethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C51H70N10O13
+CH$EXACT_MASS: 1030.512382
+CH$SMILES: O=C(N(C)C(C(N[C@@H](C1=O)C)=O)=C)CC[C@H](C(O)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CC3=CC=C(O)C=C3)NC(C[C@H](C(O)=O)NC([C@@H](N1)CCCNC(N)=N)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C51H70N10O13/c1-28(24-29(2)41(74-7)26-33-12-9-8-10-13-33)15-20-36-30(3)44(65)59-38(49(70)71)21-22-43(64)61(6)32(5)46(67)55-31(4)45(66)58-37(14-11-23-54-51(52)53)47(68)60-40(50(72)73)27-42(63)56-39(48(69)57-36)25-34-16-18-35(62)19-17-34/h8-10,12-13,15-20,24,29-31,36-41,62H,5,11,14,21-23,25-27H2,1-4,6-7H3,(H,55,67)(H,56,63)(H,57,69)(H,58,66)(H,59,65)(H,60,68)(H,70,71)(H,72,73)(H4,52,53,54)/b20-15+,28-24+/t29-,30-,31+,36-,37-,38+,39-,40+,41-/m0/s1
+CH$LINK: PUBCHEM CID:155801630
+CH$LINK: INCHIKEY AKRUYPJUAZTDLQ-XAIZWMDNSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 107-1073
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 17.053 min
+MS$FOCUSED_ION: BASE_PEAK 1031.5183
+MS$FOCUSED_ION: PRECURSOR_M/Z 1031.5197
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-002r-0910000000-973ee8d5e20ae7b5bf0d
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  110.0599 C6H8NO+ 1 110.06 -0.91
+  112.0393 C5H6NO2+ 1 112.0393 -0.41
+  112.0869 C5H10N3+ 1 112.0869 -0.03
+  113.071 C5H9N2O+ 1 113.0709 0.86
+  114.1026 C5H12N3+ 1 114.1026 0.53
+  115.0544 C9H7+ 1 115.0542 1.46
+  115.0866 C5H11N2O+ 1 115.0866 0.07
+  117.0699 C9H9+ 1 117.0699 0.59
+  119.049 C8H7O+ 1 119.0491 -1.1
+  120.0808 C8H10N+ 1 120.0808 -0.1
+  121.101 C9H13+ 1 121.1012 -1.48
+  124.0759 C7H10NO+ 1 124.0757 1.71
+  127.0865 C6H11N2O+ 1 127.0866 -0.62
+  130.0499 C5H8NO3+ 1 130.0499 -0.08
+  130.0976 C5H12N3O+ 1 130.0975 0.54
+  133.101 C10H13+ 1 133.1012 -1.7
+  135.0804 C9H11O+ 1 135.0804 -0.37
+  135.1166 C10H15+ 1 135.1168 -1.68
+  136.0756 C8H10NO+ 1 136.0757 -0.54
+  138.0551 C7H8NO2+ 1 138.055 0.8
+  139.0862 C7H11N2O+ 1 139.0866 -2.85
+  143.0853 C11H11+ 1 143.0855 -1.6
+  145.1008 C11H13+ 1 145.1012 -2.52
+  149.071 C8H9N2O+ 1 149.0709 0.55
+  150.1024 C8H12N3+ 1 150.1026 -0.83
+  151.0863 C8H11N2O+ 1 151.0866 -1.71
+  155.0812 C7H11N2O2+ 1 155.0815 -1.88
+  158.0922 C6H12N3O2+ 1 158.0924 -1.54
+  161.0959 C11H13O+ 1 161.0961 -1.29
+  163.1114 C11H15O+ 1 163.1117 -1.99
+  167.0812 C8H11N2O2+ 1 167.0815 -2.1
+  168.0647 C6H8N4O2+ 2 168.0642 3.04
+  175.1185 C6H15N4O2+ 1 175.119 -2.48
+  183.1237 C8H15N4O+ 1 183.124 -1.68
+  193.0973 C10H13N2O2+ 1 193.0972 0.55
+  195.0754 C7H9N5O2+ 1 195.0751 1.51
+  209.1028 C8H17O6+ 3 209.102 3.82
+  211.1179 C8H19O6+ 2 211.1176 1.31
+  212.1022 C7H12N6O2+ 2 212.1016 2.85
+  213.0859 C7H11N5O3+ 1 213.0856 1.28
+  238.1195 C11H16N3O3+ 2 238.1186 3.54
+  239.0654 C8H9N5O4+ 3 239.0649 2.28
+  251.1011 C10H13N5O3+ 3 251.1013 -0.83
+  255.1069 C8H13N7O3+ 4 255.1074 -1.99
+  294.1552 C12H24NO7+ 3 294.1547 1.65
+  329.1924 C12H29N2O8+ 3 329.1918 1.74
+PK$NUM_PEAK: 46
+PK$PEAK: m/z int. rel.int.
+  110.0599 70668.2 13
+  112.0393 86528.1 16
+  112.0869 1076659.1 207
+  113.071 275678 53
+  114.1026 90806 17
+  115.0544 230234.7 44
+  115.0866 539766.1 103
+  117.0699 577275.3 111
+  119.049 60319.2 11
+  120.0808 121428 23
+  121.101 59172.9 11
+  124.0759 89854.4 17
+  127.0865 5193047 999
+  130.0499 153387.8 29
+  130.0976 71314.7 13
+  133.101 99855.8 19
+  135.0804 4358890 838
+  135.1166 1805157.4 347
+  136.0756 1034197.4 198
+  138.0551 280114 53
+  139.0862 104792.8 20
+  143.0853 111875.6 21
+  145.1008 111517.3 21
+  149.071 138146.2 26
+  150.1024 91876.7 17
+  151.0863 89540 17
+  155.0812 1304522 250
+  158.0922 320618.5 61
+  161.0959 89284.9 17
+  163.1114 738612.1 142
+  167.0812 794516.4 152
+  168.0647 144827.8 27
+  175.1185 643634.6 123
+  183.1237 173480 33
+  193.0973 82192.7 15
+  195.0754 487359.3 93
+  209.1028 81846.4 15
+  211.1179 533640.3 102
+  212.1022 103925.5 19
+  213.0859 1767473.8 340
+  238.1195 270127.5 51
+  239.0654 568987.3 109
+  251.1011 292102.4 56
+  255.1069 320565.5 61
+  294.1552 327229.8 62
+  329.1924 302116.2 58
+//
diff --git a/Eawag/MSBNK-EAWAG-ED189507.txt b/Eawag/MSBNK-EAWAG-ED189507.txt
new file mode 100644
index 0000000000..db15a89d16
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED189507.txt
@@ -0,0 +1,139 @@
+ACCESSION: MSBNK-EAWAG-ED189507
+RECORD_TITLE: [D-Asp3]MC-RY; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], A. Ballot [dtc], A. Dax [com] * Tentative, please confirm before release
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1895
+CH$NAME: [D-Asp3]MC-RY
+CH$NAME: (5R,8S,11R,15S,18S,19S,22R)-8-[3-(diaminomethylideneamino)propyl]-15-[(4-hydroxyphenyl)methyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,19-trimethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C51H70N10O13
+CH$EXACT_MASS: 1030.512382
+CH$SMILES: O=C(N(C)C(C(N[C@@H](C1=O)C)=O)=C)CC[C@H](C(O)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CC3=CC=C(O)C=C3)NC(C[C@H](C(O)=O)NC([C@@H](N1)CCCNC(N)=N)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C51H70N10O13/c1-28(24-29(2)41(74-7)26-33-12-9-8-10-13-33)15-20-36-30(3)44(65)59-38(49(70)71)21-22-43(64)61(6)32(5)46(67)55-31(4)45(66)58-37(14-11-23-54-51(52)53)47(68)60-40(50(72)73)27-42(63)56-39(48(69)57-36)25-34-16-18-35(62)19-17-34/h8-10,12-13,15-20,24,29-31,36-41,62H,5,11,14,21-23,25-27H2,1-4,6-7H3,(H,55,67)(H,56,63)(H,57,69)(H,58,66)(H,59,65)(H,60,68)(H,70,71)(H,72,73)(H4,52,53,54)/b20-15+,28-24+/t29-,30-,31+,36-,37-,38+,39-,40+,41-/m0/s1
+CH$LINK: PUBCHEM CID:155801630
+CH$LINK: INCHIKEY AKRUYPJUAZTDLQ-XAIZWMDNSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 107-1073
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 17.053 min
+MS$FOCUSED_ION: BASE_PEAK 1031.5183
+MS$FOCUSED_ION: PRECURSOR_M/Z 1031.5197
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-004r-0900000000-ba6f8b9c98cf18721424
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  109.065 C7H9O+ 1 109.0648 1.8
+  110.0601 C6H8NO+ 1 110.06 0.2
+  112.0394 C5H6NO2+ 1 112.0393 0.95
+  112.0868 C5H10N3+ 1 112.0869 -0.71
+  113.0233 C5H5O3+ 1 113.0233 -0.19
+  113.0707 C5H9N2O+ 1 113.0709 -1.77
+  114.1026 C5H12N3+ 1 114.1026 0
+  115.0542 C9H7+ 1 115.0542 0
+  115.0865 C5H11N2O+ 1 115.0866 -1.18
+  116.0707 C5H10NO2+ 1 116.0706 1.03
+  117.0698 C9H9+ 1 117.0699 -0.45
+  119.0492 C8H7O+ 1 119.0491 0.44
+  119.0853 C9H11+ 1 119.0855 -2.13
+  120.0568 C8H8O+ 1 120.057 -1.25
+  122.0602 C7H8NO+ 1 122.06 1.13
+  123.0918 C7H11N2+ 1 123.0917 0.72
+  124.0755 C7H10NO+ 1 124.0757 -1.18
+  124.1119 C8H14N+ 1 124.1121 -1.19
+  125.0712 C6H9N2O+ 1 125.0709 1.89
+  127.0865 C6H11N2O+ 1 127.0866 -0.8
+  129.0695 C10H9+ 1 129.0699 -3.21
+  130.0498 C5H8NO3+ 1 130.0499 -0.67
+  130.0648 C9H8N+ 1 130.0651 -2.17
+  130.0977 C5H12N3O+ 1 130.0975 1.95
+  131.0853 C10H11+ 1 131.0855 -1.65
+  133.1013 C10H13+ 1 133.1012 0.59
+  135.0804 C9H11O+ 1 135.0804 -0.6
+  135.1166 C10H15+ 1 135.1168 -1.57
+  136.0756 C8H10NO+ 1 136.0757 -0.88
+  138.0548 C7H8NO2+ 1 138.055 -0.86
+  139.0864 C7H11N2O+ 1 139.0866 -1.09
+  140.0819 C6H10N3O+ 1 140.0818 0.1
+  141.1019 C7H13N2O+ 1 141.1022 -2.45
+  145.101 C11H13+ 1 145.1012 -0.94
+  149.0708 C8H9N2O+ 1 149.0709 -1.19
+  151.0859 C8H11N2O+ 2 151.0866 -4.74
+  155.0813 C7H11N2O2+ 1 155.0815 -1.59
+  158.0923 C6H12N3O2+ 1 158.0924 -0.76
+  161.0958 C11H13O+ 1 161.0961 -1.67
+  163.1112 C11H15O+ 2 163.1117 -3.58
+  167.0809 C8H11N2O2+ 2 167.0815 -3.38
+  175.1183 C6H15N4O2+ 3 175.119 -3.79
+  183.1238 C8H15N4O+ 1 183.124 -1.18
+  195.0756 C7H9N5O2+ 2 195.0751 2.77
+  196.0593 C7H8N4O3+ 1 196.0591 0.91
+  211.0706 C7H9N5O3+ 2 211.07 2.76
+  211.1178 C8H19O6+ 2 211.1176 0.66
+  213.0857 C7H11N5O3+ 1 213.0856 0.28
+  239.0653 C8H9N5O4+ 3 239.0649 1.45
+PK$NUM_PEAK: 49
+PK$PEAK: m/z int. rel.int.
+  109.065 84051 15
+  110.0601 92116.7 16
+  112.0394 114593.9 20
+  112.0868 766309.5 137
+  113.0233 80842.4 14
+  113.0707 204518.2 36
+  114.1026 74410.7 13
+  115.0542 398306 71
+  115.0865 371233.9 66
+  116.0707 166522.7 29
+  117.0698 838101.8 149
+  119.0492 156871.4 28
+  119.0853 132280.1 23
+  120.0568 81564.7 14
+  122.0602 76345.8 13
+  123.0918 79688.8 14
+  124.0755 119796.7 21
+  124.1119 88217.6 15
+  125.0712 70555 12
+  127.0865 5584416.5 999
+  129.0695 63292.9 11
+  130.0498 138776.3 24
+  130.0648 81362.2 14
+  130.0977 74526.8 13
+  131.0853 183493.8 32
+  133.1013 88423.5 15
+  135.0804 3103972 555
+  135.1166 1159637.1 207
+  136.0756 1118361.4 200
+  138.0548 255885.6 45
+  139.0864 136037.6 24
+  140.0819 106137.3 18
+  141.1019 94983.5 16
+  145.101 110364.4 19
+  149.0708 252672.8 45
+  151.0859 123438.5 22
+  155.0813 521001.7 93
+  158.0923 200769.3 35
+  161.0958 62071.1 11
+  163.1112 227719.9 40
+  167.0809 909046.6 162
+  175.1183 218706.4 39
+  183.1238 141164.7 25
+  195.0756 432884.6 77
+  196.0593 137946.2 24
+  211.0706 116877.1 20
+  211.1178 257686 46
+  213.0857 908807.4 162
+  239.0653 249550.6 44
+//
diff --git a/Eawag/MSBNK-EAWAG-ED189508.txt b/Eawag/MSBNK-EAWAG-ED189508.txt
new file mode 100644
index 0000000000..2f2259943f
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED189508.txt
@@ -0,0 +1,117 @@
+ACCESSION: MSBNK-EAWAG-ED189508
+RECORD_TITLE: [D-Asp3]MC-RY; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], A. Ballot [dtc], A. Dax [com] * Tentative, please confirm before release
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1895
+CH$NAME: [D-Asp3]MC-RY
+CH$NAME: (5R,8S,11R,15S,18S,19S,22R)-8-[3-(diaminomethylideneamino)propyl]-15-[(4-hydroxyphenyl)methyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,19-trimethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C51H70N10O13
+CH$EXACT_MASS: 1030.512382
+CH$SMILES: O=C(N(C)C(C(N[C@@H](C1=O)C)=O)=C)CC[C@H](C(O)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CC3=CC=C(O)C=C3)NC(C[C@H](C(O)=O)NC([C@@H](N1)CCCNC(N)=N)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C51H70N10O13/c1-28(24-29(2)41(74-7)26-33-12-9-8-10-13-33)15-20-36-30(3)44(65)59-38(49(70)71)21-22-43(64)61(6)32(5)46(67)55-31(4)45(66)58-37(14-11-23-54-51(52)53)47(68)60-40(50(72)73)27-42(63)56-39(48(69)57-36)25-34-16-18-35(62)19-17-34/h8-10,12-13,15-20,24,29-31,36-41,62H,5,11,14,21-23,25-27H2,1-4,6-7H3,(H,55,67)(H,56,63)(H,57,69)(H,58,66)(H,59,65)(H,60,68)(H,70,71)(H,72,73)(H4,52,53,54)/b20-15+,28-24+/t29-,30-,31+,36-,37-,38+,39-,40+,41-/m0/s1
+CH$LINK: PUBCHEM CID:155801630
+CH$LINK: INCHIKEY AKRUYPJUAZTDLQ-XAIZWMDNSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 107-1073
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 17.053 min
+MS$FOCUSED_ION: BASE_PEAK 1031.5183
+MS$FOCUSED_ION: PRECURSOR_M/Z 1031.5197
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00p0-0900000000-14ed4f6b37862a03dde6
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  109.0647 C7H9O+ 1 109.0648 -0.79
+  111.0916 C6H11N2+ 1 111.0917 -0.52
+  112.0868 C5H10N3+ 1 112.0869 -0.99
+  113.0707 C5H9N2O+ 1 113.0709 -2.11
+  115.0543 C9H7+ 1 115.0542 0.33
+  115.0864 C5H11N2O+ 1 115.0866 -1.45
+  116.0707 C5H10NO2+ 1 116.0706 0.57
+  117.0698 C9H9+ 1 117.0699 -0.39
+  119.0492 C8H7O+ 1 119.0491 0.89
+  119.085 C9H11+ 1 119.0855 -4.31
+  120.0568 C8H8O+ 1 120.057 -1.19
+  122.0599 C7H8NO+ 1 122.06 -1.43
+  123.0916 C7H11N2+ 1 123.0917 -0.58
+  124.0757 C7H10NO+ 1 124.0757 -0.32
+  125.0705 C6H9N2O+ 1 125.0709 -3.48
+  127.0864 C6H11N2O+ 1 127.0866 -1.22
+  129.07 C10H9+ 1 129.0699 0.81
+  130.0977 C5H12N3O+ 1 130.0975 1.48
+  133.101 C10H13+ 1 133.1012 -1.13
+  135.0803 C9H11O+ 1 135.0804 -0.83
+  135.1165 C10H15+ 1 135.1168 -2.13
+  136.0756 C8H10NO+ 1 136.0757 -0.88
+  138.0547 C7H8NO2+ 1 138.055 -1.86
+  139.0865 C7H11N2O+ 1 139.0866 -0.32
+  140.0818 C6H10N3O+ 1 140.0818 -0.22
+  141.102 C7H13N2O+ 1 141.1022 -1.48
+  145.1011 C11H13+ 1 145.1012 -0.31
+  146.0596 C9H8NO+ 1 146.06 -3.35
+  149.0707 C8H9N2O+ 1 149.0709 -1.7
+  155.0813 C7H11N2O2+ 1 155.0815 -1.49
+  158.0923 C6H12N3O2+ 1 158.0924 -0.76
+  163.111 C11H15O+ 2 163.1117 -4.61
+  167.081 C8H11N2O2+ 1 167.0815 -3.01
+  168.0644 C6H8N4O2+ 1 168.0642 1.13
+  175.1183 C6H15N4O2+ 3 175.119 -3.79
+  183.123 C7H19O5+ 2 183.1227 1.37
+  211.1183 C8H19O6+ 3 211.1176 3.33
+  213.0852 C7H11N5O3+ 3 213.0856 -2.01
+PK$NUM_PEAK: 38
+PK$PEAK: m/z int. rel.int.
+  109.0647 128553.1 32
+  111.0916 57832.8 14
+  112.0868 653116.4 166
+  113.0707 132549.6 33
+  115.0543 623229.9 158
+  115.0864 228604.7 58
+  116.0707 74495.8 18
+  117.0698 717945.8 182
+  119.0492 218114.5 55
+  119.085 129292.3 32
+  120.0568 96788.8 24
+  122.0599 97943.6 24
+  123.0916 92129.8 23
+  124.0757 88839.5 22
+  125.0705 80183.9 20
+  127.0864 3928654.5 999
+  129.07 48421.2 12
+  130.0977 51513.7 13
+  133.101 82204.3 20
+  135.0803 1538422.4 391
+  135.1165 548470.4 139
+  136.0756 877381.1 223
+  138.0547 168069.6 42
+  139.0865 150220.2 38
+  140.0818 73772.3 18
+  141.102 89359.3 22
+  145.1011 59138.3 15
+  146.0596 89773.1 22
+  149.0707 243437.1 61
+  155.0813 158195.9 40
+  158.0923 93976.9 23
+  163.111 86052 21
+  167.081 687861.7 174
+  168.0644 128027.6 32
+  175.1183 67730.6 17
+  183.123 82919 21
+  211.1183 71404.9 18
+  213.0852 279234.1 71
+//
diff --git a/Eawag/MSBNK-EAWAG-ED189509.txt b/Eawag/MSBNK-EAWAG-ED189509.txt
new file mode 100644
index 0000000000..944002bfa8
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED189509.txt
@@ -0,0 +1,95 @@
+ACCESSION: MSBNK-EAWAG-ED189509
+RECORD_TITLE: [D-Asp3]MC-RY; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], A. Ballot [dtc], A. Dax [com] * Tentative, please confirm before release
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1895
+CH$NAME: [D-Asp3]MC-RY
+CH$NAME: (5R,8S,11R,15S,18S,19S,22R)-8-[3-(diaminomethylideneamino)propyl]-15-[(4-hydroxyphenyl)methyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,19-trimethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C51H70N10O13
+CH$EXACT_MASS: 1030.512382
+CH$SMILES: O=C(N(C)C(C(N[C@@H](C1=O)C)=O)=C)CC[C@H](C(O)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CC3=CC=C(O)C=C3)NC(C[C@H](C(O)=O)NC([C@@H](N1)CCCNC(N)=N)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C51H70N10O13/c1-28(24-29(2)41(74-7)26-33-12-9-8-10-13-33)15-20-36-30(3)44(65)59-38(49(70)71)21-22-43(64)61(6)32(5)46(67)55-31(4)45(66)58-37(14-11-23-54-51(52)53)47(68)60-40(50(72)73)27-42(63)56-39(48(69)57-36)25-34-16-18-35(62)19-17-34/h8-10,12-13,15-20,24,29-31,36-41,62H,5,11,14,21-23,25-27H2,1-4,6-7H3,(H,55,67)(H,56,63)(H,57,69)(H,58,66)(H,59,65)(H,60,68)(H,70,71)(H,72,73)(H4,52,53,54)/b20-15+,28-24+/t29-,30-,31+,36-,37-,38+,39-,40+,41-/m0/s1
+CH$LINK: PUBCHEM CID:155801630
+CH$LINK: INCHIKEY AKRUYPJUAZTDLQ-XAIZWMDNSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 107-1073
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 17.053 min
+MS$FOCUSED_ION: BASE_PEAK 1031.5183
+MS$FOCUSED_ION: PRECURSOR_M/Z 1031.5197
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00or-0900000000-88d776d5bb165cacedc0
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  109.0648 C7H9O+ 1 109.0648 0.19
+  110.0601 C6H8NO+ 1 110.06 0.55
+  112.0395 C5H6NO2+ 1 112.0393 2.18
+  112.0868 C5H10N3+ 1 112.0869 -1.46
+  113.0232 C5H5O3+ 1 113.0233 -1.4
+  113.071 C5H9N2O+ 1 113.0709 0.59
+  115.0542 C9H7+ 1 115.0542 -0.6
+  117.0698 C9H9+ 1 117.0699 -0.84
+  119.0494 C8H7O+ 1 119.0491 1.79
+  119.0855 C9H11+ 1 119.0855 -0.21
+  120.0572 C8H8O+ 1 120.057 1.73
+  120.0812 C8H10N+ 1 120.0808 3.14
+  122.0602 C7H8NO+ 1 122.06 1.32
+  123.0917 C7H11N2+ 1 123.0917 0.16
+  127.0864 C6H11N2O+ 1 127.0866 -1.16
+  130.0651 C9H8N+ 1 130.0651 0.18
+  131.0857 C10H11+ 1 131.0855 1.38
+  135.0803 C9H11O+ 1 135.0804 -0.83
+  135.1168 C10H15+ 1 135.1168 -0.33
+  136.0756 C8H10NO+ 1 136.0757 -0.99
+  138.0544 C7H8NO2+ 1 138.055 -3.85
+  139.0867 C7H11N2O+ 1 139.0866 0.66
+  146.0604 C9H8NO+ 1 146.06 2.61
+  149.0704 C8H9N2O+ 1 149.0709 -3.95
+  151.0866 C8H11N2O+ 1 151.0866 -0.2
+  152.0705 C8H10NO2+ 1 152.0706 -0.7
+  167.081 C8H11N2O2+ 2 167.0815 -3.1
+PK$NUM_PEAK: 27
+PK$PEAK: m/z int. rel.int.
+  109.0648 137192.5 49
+  110.0601 63392.9 22
+  112.0395 57212.3 20
+  112.0868 456641 164
+  113.0232 144121.3 51
+  113.071 78600.2 28
+  115.0542 693994.4 249
+  117.0698 556030.2 199
+  119.0494 234439 84
+  119.0855 131975.8 47
+  120.0572 111797.4 40
+  120.0812 96417.6 34
+  122.0602 44066.7 15
+  123.0917 89282.5 32
+  127.0864 2779478 999
+  130.0651 76115.1 27
+  131.0857 104227.5 37
+  135.0803 586664.8 210
+  135.1168 193339.6 69
+  136.0756 622119.1 223
+  138.0544 72339.3 26
+  139.0867 102325.5 36
+  146.0604 81623.6 29
+  149.0704 196095.2 70
+  151.0866 78126.5 28
+  152.0705 82739.8 29
+  167.081 488538.4 175
+//
diff --git a/Eawag/MSBNK-EAWAG-ED189551.txt b/Eawag/MSBNK-EAWAG-ED189551.txt
new file mode 100644
index 0000000000..a9fc635f54
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED189551.txt
@@ -0,0 +1,43 @@
+ACCESSION: MSBNK-EAWAG-ED189551
+RECORD_TITLE: [D-Asp3]MC-RY; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], A. Ballot [dtc], A. Dax [com] * Tentative, please confirm before release
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1895
+CH$NAME: [D-Asp3]MC-RY
+CH$NAME: (5R,8S,11R,15S,18S,19S,22R)-8-[3-(diaminomethylideneamino)propyl]-15-[(4-hydroxyphenyl)methyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,19-trimethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C51H70N10O13
+CH$EXACT_MASS: 1030.512382
+CH$SMILES: O=C(N(C)C(C(N[C@@H](C1=O)C)=O)=C)CC[C@H](C(O)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CC3=CC=C(O)C=C3)NC(C[C@H](C(O)=O)NC([C@@H](N1)CCCNC(N)=N)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C51H70N10O13/c1-28(24-29(2)41(74-7)26-33-12-9-8-10-13-33)15-20-36-30(3)44(65)59-38(49(70)71)21-22-43(64)61(6)32(5)46(67)55-31(4)45(66)58-37(14-11-23-54-51(52)53)47(68)60-40(50(72)73)27-42(63)56-39(48(69)57-36)25-34-16-18-35(62)19-17-34/h8-10,12-13,15-20,24,29-31,36-41,62H,5,11,14,21-23,25-27H2,1-4,6-7H3,(H,55,67)(H,56,63)(H,57,69)(H,58,66)(H,59,65)(H,60,68)(H,70,71)(H,72,73)(H4,52,53,54)/b20-15+,28-24+/t29-,30-,31+,36-,37-,38+,39-,40+,41-/m0/s1
+CH$LINK: PUBCHEM CID:155801630
+CH$LINK: INCHIKEY AKRUYPJUAZTDLQ-XAIZWMDNSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 107-1071
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 17.041 min
+MS$FOCUSED_ION: BASE_PEAK 1029.5051
+MS$FOCUSED_ION: PRECURSOR_M/Z 1029.5051
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-004i-9000000000-64f23f3b3c6a7d9926f7
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  1029.5057 C51H69N10O13- 1 1029.5051 0.58
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  1029.5057 46088524 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED189552.txt b/Eawag/MSBNK-EAWAG-ED189552.txt
new file mode 100644
index 0000000000..2ba0fd98ea
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED189552.txt
@@ -0,0 +1,45 @@
+ACCESSION: MSBNK-EAWAG-ED189552
+RECORD_TITLE: [D-Asp3]MC-RY; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], A. Ballot [dtc], A. Dax [com] * Tentative, please confirm before release
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1895
+CH$NAME: [D-Asp3]MC-RY
+CH$NAME: (5R,8S,11R,15S,18S,19S,22R)-8-[3-(diaminomethylideneamino)propyl]-15-[(4-hydroxyphenyl)methyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,19-trimethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C51H70N10O13
+CH$EXACT_MASS: 1030.512382
+CH$SMILES: O=C(N(C)C(C(N[C@@H](C1=O)C)=O)=C)CC[C@H](C(O)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CC3=CC=C(O)C=C3)NC(C[C@H](C(O)=O)NC([C@@H](N1)CCCNC(N)=N)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C51H70N10O13/c1-28(24-29(2)41(74-7)26-33-12-9-8-10-13-33)15-20-36-30(3)44(65)59-38(49(70)71)21-22-43(64)61(6)32(5)46(67)55-31(4)45(66)58-37(14-11-23-54-51(52)53)47(68)60-40(50(72)73)27-42(63)56-39(48(69)57-36)25-34-16-18-35(62)19-17-34/h8-10,12-13,15-20,24,29-31,36-41,62H,5,11,14,21-23,25-27H2,1-4,6-7H3,(H,55,67)(H,56,63)(H,57,69)(H,58,66)(H,59,65)(H,60,68)(H,70,71)(H,72,73)(H4,52,53,54)/b20-15+,28-24+/t29-,30-,31+,36-,37-,38+,39-,40+,41-/m0/s1
+CH$LINK: PUBCHEM CID:155801630
+CH$LINK: INCHIKEY AKRUYPJUAZTDLQ-XAIZWMDNSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 107-1071
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 17.041 min
+MS$FOCUSED_ION: BASE_PEAK 1029.5051
+MS$FOCUSED_ION: PRECURSOR_M/Z 1029.5051
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-004i-9000000000-038f2a00439800f41577
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  1011.4943 C51H67N10O12- 1 1011.4945 -0.24
+  1029.505 C51H69N10O13- 1 1029.5051 -0.13
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  1011.4943 3342294.2 87
+  1029.505 38330720 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED189553.txt b/Eawag/MSBNK-EAWAG-ED189553.txt
new file mode 100644
index 0000000000..c9c8a33852
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED189553.txt
@@ -0,0 +1,51 @@
+ACCESSION: MSBNK-EAWAG-ED189553
+RECORD_TITLE: [D-Asp3]MC-RY; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], A. Ballot [dtc], A. Dax [com] * Tentative, please confirm before release
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1895
+CH$NAME: [D-Asp3]MC-RY
+CH$NAME: (5R,8S,11R,15S,18S,19S,22R)-8-[3-(diaminomethylideneamino)propyl]-15-[(4-hydroxyphenyl)methyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,19-trimethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C51H70N10O13
+CH$EXACT_MASS: 1030.512382
+CH$SMILES: O=C(N(C)C(C(N[C@@H](C1=O)C)=O)=C)CC[C@H](C(O)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CC3=CC=C(O)C=C3)NC(C[C@H](C(O)=O)NC([C@@H](N1)CCCNC(N)=N)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C51H70N10O13/c1-28(24-29(2)41(74-7)26-33-12-9-8-10-13-33)15-20-36-30(3)44(65)59-38(49(70)71)21-22-43(64)61(6)32(5)46(67)55-31(4)45(66)58-37(14-11-23-54-51(52)53)47(68)60-40(50(72)73)27-42(63)56-39(48(69)57-36)25-34-16-18-35(62)19-17-34/h8-10,12-13,15-20,24,29-31,36-41,62H,5,11,14,21-23,25-27H2,1-4,6-7H3,(H,55,67)(H,56,63)(H,57,69)(H,58,66)(H,59,65)(H,60,68)(H,70,71)(H,72,73)(H4,52,53,54)/b20-15+,28-24+/t29-,30-,31+,36-,37-,38+,39-,40+,41-/m0/s1
+CH$LINK: PUBCHEM CID:155801630
+CH$LINK: INCHIKEY AKRUYPJUAZTDLQ-XAIZWMDNSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 107-1071
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 17.041 min
+MS$FOCUSED_ION: BASE_PEAK 1029.5051
+MS$FOCUSED_ION: PRECURSOR_M/Z 1029.5051
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-004i-9000000000-88487db8085d28b96f96
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  931.5044 C47H67N10O10- 3 931.5047 -0.33
+  985.5142 C50H69N10O11- 1 985.5153 -1.04
+  987.4843 C50H67N8O13- 1 987.4833 0.99
+  1011.4944 C51H67N10O12- 1 1011.4945 -0.18
+  1029.505 C51H69N10O13- 1 1029.5051 -0.13
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  931.5044 409165.8 15
+  985.5142 351477.7 13
+  987.4843 743052.9 27
+  1011.4944 12393253 460
+  1029.505 26862914 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED189554.txt b/Eawag/MSBNK-EAWAG-ED189554.txt
new file mode 100644
index 0000000000..e484fc3dba
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED189554.txt
@@ -0,0 +1,61 @@
+ACCESSION: MSBNK-EAWAG-ED189554
+RECORD_TITLE: [D-Asp3]MC-RY; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], A. Ballot [dtc], A. Dax [com] * Tentative, please confirm before release
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1895
+CH$NAME: [D-Asp3]MC-RY
+CH$NAME: (5R,8S,11R,15S,18S,19S,22R)-8-[3-(diaminomethylideneamino)propyl]-15-[(4-hydroxyphenyl)methyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,19-trimethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C51H70N10O13
+CH$EXACT_MASS: 1030.512382
+CH$SMILES: O=C(N(C)C(C(N[C@@H](C1=O)C)=O)=C)CC[C@H](C(O)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CC3=CC=C(O)C=C3)NC(C[C@H](C(O)=O)NC([C@@H](N1)CCCNC(N)=N)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C51H70N10O13/c1-28(24-29(2)41(74-7)26-33-12-9-8-10-13-33)15-20-36-30(3)44(65)59-38(49(70)71)21-22-43(64)61(6)32(5)46(67)55-31(4)45(66)58-37(14-11-23-54-51(52)53)47(68)60-40(50(72)73)27-42(63)56-39(48(69)57-36)25-34-16-18-35(62)19-17-34/h8-10,12-13,15-20,24,29-31,36-41,62H,5,11,14,21-23,25-27H2,1-4,6-7H3,(H,55,67)(H,56,63)(H,57,69)(H,58,66)(H,59,65)(H,60,68)(H,70,71)(H,72,73)(H4,52,53,54)/b20-15+,28-24+/t29-,30-,31+,36-,37-,38+,39-,40+,41-/m0/s1
+CH$LINK: PUBCHEM CID:155801630
+CH$LINK: INCHIKEY AKRUYPJUAZTDLQ-XAIZWMDNSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 107-1071
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 17.041 min
+MS$FOCUSED_ION: BASE_PEAK 1029.5051
+MS$FOCUSED_ION: PRECURSOR_M/Z 1029.5051
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03fr-9000000001-83d7f29fbe5c4a34657b
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  128.0352 C5H6NO3- 1 128.0353 -1
+  326.1936 C12H28N3O7- 4 326.1933 1.02
+  931.505 C47H67N10O10- 3 931.5047 0.33
+  969.4718 C50H65N8O12- 1 969.4727 -0.99
+  970.4665 C51H66N6O13- 2 970.4693 -2.94
+  985.515 C50H69N10O11- 1 985.5153 -0.3
+  987.4833 C50H67N8O13- 1 987.4833 0
+  994.4675 C51H64N9O12- 1 994.468 -0.47
+  1011.4945 C51H67N10O12- 1 1011.4945 -0.06
+  1029.5049 C51H69N10O13- 1 1029.5051 -0.25
+PK$NUM_PEAK: 10
+PK$PEAK: m/z int. rel.int.
+  128.0352 1129870.9 73
+  326.1936 612346.6 39
+  931.505 924729.4 60
+  969.4718 1082724 70
+  970.4665 209382.2 13
+  985.515 775973.4 50
+  987.4833 825731.8 53
+  994.4675 879626.9 57
+  1011.4945 15395363 999
+  1029.5049 7845799.5 509
+//
diff --git a/Eawag/MSBNK-EAWAG-ED189555.txt b/Eawag/MSBNK-EAWAG-ED189555.txt
new file mode 100644
index 0000000000..f0ebf2a2b1
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED189555.txt
@@ -0,0 +1,121 @@
+ACCESSION: MSBNK-EAWAG-ED189555
+RECORD_TITLE: [D-Asp3]MC-RY; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], A. Ballot [dtc], A. Dax [com] * Tentative, please confirm before release
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1895
+CH$NAME: [D-Asp3]MC-RY
+CH$NAME: (5R,8S,11R,15S,18S,19S,22R)-8-[3-(diaminomethylideneamino)propyl]-15-[(4-hydroxyphenyl)methyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,19-trimethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C51H70N10O13
+CH$EXACT_MASS: 1030.512382
+CH$SMILES: O=C(N(C)C(C(N[C@@H](C1=O)C)=O)=C)CC[C@H](C(O)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CC3=CC=C(O)C=C3)NC(C[C@H](C(O)=O)NC([C@@H](N1)CCCNC(N)=N)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C51H70N10O13/c1-28(24-29(2)41(74-7)26-33-12-9-8-10-13-33)15-20-36-30(3)44(65)59-38(49(70)71)21-22-43(64)61(6)32(5)46(67)55-31(4)45(66)58-37(14-11-23-54-51(52)53)47(68)60-40(50(72)73)27-42(63)56-39(48(69)57-36)25-34-16-18-35(62)19-17-34/h8-10,12-13,15-20,24,29-31,36-41,62H,5,11,14,21-23,25-27H2,1-4,6-7H3,(H,55,67)(H,56,63)(H,57,69)(H,58,66)(H,59,65)(H,60,68)(H,70,71)(H,72,73)(H4,52,53,54)/b20-15+,28-24+/t29-,30-,31+,36-,37-,38+,39-,40+,41-/m0/s1
+CH$LINK: PUBCHEM CID:155801630
+CH$LINK: INCHIKEY AKRUYPJUAZTDLQ-XAIZWMDNSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 107-1071
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 17.041 min
+MS$FOCUSED_ION: BASE_PEAK 1029.5051
+MS$FOCUSED_ION: PRECURSOR_M/Z 1029.5051
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-004i-1932000000-31fd114d2b16c3eae2cd
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  110.0249 C5H4NO2- 1 110.0248 1.03
+  112.0404 C5H6NO2- 1 112.0404 0.09
+  113.0354 C4H5N2O2- 1 113.0357 -1.8
+  119.0502 C8H7O- 1 119.0502 -0.41
+  124.0403 C6H6NO2- 1 124.0404 -0.53
+  127.0512 C5H7N2O2- 1 127.0513 -1.1
+  128.0353 C5H6NO3- 1 128.0353 -0.4
+  130.0509 C5H8NO3- 1 130.051 -0.89
+  130.0987 C5H12N3O- 1 130.0986 0.66
+  137.0717 C7H9N2O- 1 137.072 -2.17
+  138.0558 C7H8NO2- 1 138.0561 -1.78
+  149.0713 C8H9N2O- 2 149.072 -4.84
+  150.0558 C8H8NO2- 1 150.0561 -1.38
+  153.0666 C7H9N2O2- 1 153.067 -2.42
+  156.0772 C6H10N3O2- 2 156.0779 -4.12
+  162.0554 C9H8NO2- 2 162.0561 -4.09
+  165.0658 C6H7N5O- 1 165.0656 1.01
+  166.0981 C8H12N3O- 1 166.0986 -3.03
+  167.0821 C8H11N2O2- 2 167.0826 -3.12
+  170.0928 C5H10N6O- 2 170.0922 3.97
+  181.0609 C6H7N5O2- 1 181.0605 1.93
+  183.1241 C7H19O5- 2 183.1238 1.54
+  184.0604 C6H8N4O3- 1 184.0602 1.11
+  184.108 C6H12N6O- 1 184.1078 1.05
+  191.093 C8H15O5- 3 191.0925 2.76
+  201.1346 C7H21O6- 2 201.1344 0.97
+  205.0604 C8H7N5O2- 1 205.0605 -0.55
+  208.1193 C8H18NO5- 2 208.119 1.37
+  211.0714 C7H9N5O3- 2 211.0711 1.56
+  213.1345 C8H21O6- 2 213.1344 0.8
+  233.0923 C10H11N5O2- 2 233.0918 1.9
+  243.1563 C8H23N2O6- 3 243.1562 0.62
+  259.071 C11H9N5O3- 3 259.0711 -0.33
+  266.1608 C10H18N8O- 3 266.1609 -0.42
+  284.1716 C11H26NO7- 3 284.1715 0.46
+  308.183 C12H26N3O6- 5 308.1827 1.03
+  326.1936 C12H28N3O7- 4 326.1933 1.02
+  419.2317 C9H35N6O12- 8 419.2318 -0.44
+  432.2541 C28H34NO3- 8 432.2544 -0.64
+  1011.4952 C51H67N10O12- 1 1011.4945 0.67
+PK$NUM_PEAK: 40
+PK$PEAK: m/z int. rel.int.
+  110.0249 144887.7 40
+  112.0404 37798 10
+  113.0354 122219.2 34
+  119.0502 172535.8 48
+  124.0403 255167.4 71
+  127.0512 159455.2 44
+  128.0353 3573679.2 999
+  130.0509 43825.6 12
+  130.0987 57809.5 16
+  137.0717 70267.6 19
+  138.0558 74912.1 20
+  149.0713 43804.1 12
+  150.0558 40018.5 11
+  153.0666 283142.4 79
+  156.0772 59588.6 16
+  162.0554 247460.8 69
+  165.0658 47273.5 13
+  166.0981 163469.3 45
+  167.0821 134216.4 37
+  170.0928 204750.1 57
+  181.0609 114172.1 31
+  183.1241 43363.9 12
+  184.0604 104277.9 29
+  184.108 87773.6 24
+  191.093 125884.9 35
+  201.1346 301041.2 84
+  205.0604 110829.9 30
+  208.1193 494514.1 138
+  211.0714 150055 41
+  213.1345 51506.8 14
+  233.0923 96936.9 27
+  243.1563 250072.1 69
+  259.071 115576.4 32
+  266.1608 529003.2 147
+  284.1716 659039.9 184
+  308.183 477733.4 133
+  326.1936 972408.4 271
+  419.2317 153840 43
+  432.2541 280720.5 78
+  1011.4952 716525.4 200
+//
diff --git a/Eawag/MSBNK-EAWAG-ED189556.txt b/Eawag/MSBNK-EAWAG-ED189556.txt
new file mode 100644
index 0000000000..560fc7e3db
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED189556.txt
@@ -0,0 +1,143 @@
+ACCESSION: MSBNK-EAWAG-ED189556
+RECORD_TITLE: [D-Asp3]MC-RY; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], A. Ballot [dtc], A. Dax [com] * Tentative, please confirm before release
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1895
+CH$NAME: [D-Asp3]MC-RY
+CH$NAME: (5R,8S,11R,15S,18S,19S,22R)-8-[3-(diaminomethylideneamino)propyl]-15-[(4-hydroxyphenyl)methyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,19-trimethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C51H70N10O13
+CH$EXACT_MASS: 1030.512382
+CH$SMILES: O=C(N(C)C(C(N[C@@H](C1=O)C)=O)=C)CC[C@H](C(O)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CC3=CC=C(O)C=C3)NC(C[C@H](C(O)=O)NC([C@@H](N1)CCCNC(N)=N)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C51H70N10O13/c1-28(24-29(2)41(74-7)26-33-12-9-8-10-13-33)15-20-36-30(3)44(65)59-38(49(70)71)21-22-43(64)61(6)32(5)46(67)55-31(4)45(66)58-37(14-11-23-54-51(52)53)47(68)60-40(50(72)73)27-42(63)56-39(48(69)57-36)25-34-16-18-35(62)19-17-34/h8-10,12-13,15-20,24,29-31,36-41,62H,5,11,14,21-23,25-27H2,1-4,6-7H3,(H,55,67)(H,56,63)(H,57,69)(H,58,66)(H,59,65)(H,60,68)(H,70,71)(H,72,73)(H4,52,53,54)/b20-15+,28-24+/t29-,30-,31+,36-,37-,38+,39-,40+,41-/m0/s1
+CH$LINK: PUBCHEM CID:155801630
+CH$LINK: INCHIKEY AKRUYPJUAZTDLQ-XAIZWMDNSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 107-1071
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 17.041 min
+MS$FOCUSED_ION: BASE_PEAK 1029.5051
+MS$FOCUSED_ION: PRECURSOR_M/Z 1029.5051
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00or-0930000000-de2eb7e5593f08b5d46b
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  109.0406 C5H5N2O- 1 109.0407 -1.61
+  110.0247 C5H4NO2- 1 110.0248 -0.22
+  111.0198 C4H3N2O2- 1 111.02 -1.51
+  111.0563 C5H7N2O- 1 111.0564 -1.11
+  112.0401 C5H6NO2- 1 112.0404 -2.64
+  113.0356 C4H5N2O2- 1 113.0357 -0.86
+  113.072 C5H9N2O- 1 113.072 -0.6
+  119.0501 C8H7O- 1 119.0502 -0.99
+  123.0562 C6H7N2O- 1 123.0564 -1.72
+  124.0403 C6H6NO2- 1 124.0404 -0.9
+  127.0511 C5H7N2O2- 1 127.0513 -1.28
+  128.0352 C5H6NO3- 1 128.0353 -0.76
+  130.0508 C5H8NO3- 1 130.051 -1.59
+  130.0984 C5H12N3O- 1 130.0986 -1.22
+  131.0863 C10H11- 1 131.0866 -2.73
+  135.0198 C6H3N2O2- 1 135.02 -1.15
+  137.0717 C7H9N2O- 1 137.072 -2.62
+  138.0557 C7H8NO2- 1 138.0561 -2.89
+  140.0827 C6H10N3O- 1 140.0829 -1.56
+  141.0667 C6H9N2O2- 1 141.067 -1.82
+  145.0289 C9H5O2- 1 145.0295 -3.92
+  149.0716 C8H9N2O- 1 149.072 -3.1
+  150.0556 C8H8NO2- 1 150.0561 -2.81
+  152.0824 C7H10N3O- 1 152.0829 -3.32
+  153.0664 C7H9N2O2- 1 153.067 -3.42
+  156.0773 C6H10N3O2- 1 156.0779 -3.24
+  156.1136 C7H14N3O- 2 156.1142 -3.78
+  162.0555 C9H8NO2- 2 162.0561 -3.52
+  165.0657 C6H7N5O- 1 165.0656 0.83
+  166.098 C8H12N3O- 2 166.0986 -3.68
+  167.0821 C8H11N2O2- 1 167.0826 -2.76
+  170.0927 C5H10N6O- 2 170.0922 3.16
+  181.0605 C6H7N5O2- 1 181.0605 -0.09
+  181.1093 C8H13N4O- 1 181.1095 -1.25
+  183.1244 C7H19O5- 3 183.1238 3.13
+  184.1082 C6H12N6O- 1 184.1078 2.29
+  191.0931 C8H15O5- 3 191.0925 2.92
+  199.1192 C7H19O6- 3 199.1187 2.21
+  201.1346 C7H21O6- 2 201.1344 1.2
+  205.061 C8H7N5O2- 2 205.0605 2.43
+  208.1192 C8H18NO5- 2 208.119 0.79
+  211.0712 C7H9N5O3- 1 211.0711 0.4
+  213.1347 C8H21O6- 3 213.1344 1.8
+  216.066 C10H8N4O2- 2 216.0653 3.26
+  227.1143 C8H19O7- 3 227.1136 2.86
+  241.1671 C11H21N4O2- 1 241.167 0.25
+  243.1564 C8H23N2O6- 3 243.1562 1.12
+  266.1609 C10H18N8O- 3 266.1609 -0.19
+  284.1717 C11H26NO7- 3 284.1715 0.67
+  308.1828 C12H26N3O6- 5 308.1827 0.14
+  432.2541 C28H34NO3- 8 432.2544 -0.64
+PK$NUM_PEAK: 51
+PK$PEAK: m/z int. rel.int.
+  109.0406 84474 34
+  110.0247 225027.8 91
+  111.0198 41051.8 16
+  111.0563 43353 17
+  112.0401 71042.6 29
+  113.0356 221288.6 90
+  113.072 43830.5 17
+  119.0501 264233.5 107
+  123.0562 120004 49
+  124.0403 290431.8 118
+  127.0511 232392 94
+  128.0352 2444191 999
+  130.0508 42300.3 17
+  130.0984 208233.2 85
+  131.0863 169323 69
+  135.0198 27560.9 11
+  137.0717 216301 88
+  138.0557 65157.3 26
+  140.0827 138876.6 56
+  141.0667 29412 12
+  145.0289 58927.8 24
+  149.0716 79852.7 32
+  150.0556 100734.5 41
+  152.0824 46273.3 18
+  153.0664 351159.1 143
+  156.0773 137934.5 56
+  156.1136 42233.7 17
+  162.0555 299219.5 122
+  165.0657 47384.8 19
+  166.098 582674.9 238
+  167.0821 158270.4 64
+  170.0927 288284.1 117
+  181.0605 63228.2 25
+  181.1093 94651.7 38
+  183.1244 221352.8 90
+  184.1082 194782.2 79
+  191.0931 120397.7 49
+  199.1192 89768.3 36
+  201.1346 534350.1 218
+  205.061 60900.7 24
+  208.1192 573810.7 234
+  211.0712 93058.3 38
+  213.1347 91238.6 37
+  216.066 43897.8 17
+  227.1143 50546.9 20
+  241.1671 29939.5 12
+  243.1564 144728.5 59
+  266.1609 879255.7 359
+  284.1717 376709.7 153
+  308.1828 207437.6 84
+  432.2541 124390.4 50
+//
diff --git a/Eawag/MSBNK-EAWAG-ED189557.txt b/Eawag/MSBNK-EAWAG-ED189557.txt
new file mode 100644
index 0000000000..39882faf4f
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED189557.txt
@@ -0,0 +1,119 @@
+ACCESSION: MSBNK-EAWAG-ED189557
+RECORD_TITLE: [D-Asp3]MC-RY; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], A. Ballot [dtc], A. Dax [com] * Tentative, please confirm before release
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1895
+CH$NAME: [D-Asp3]MC-RY
+CH$NAME: (5R,8S,11R,15S,18S,19S,22R)-8-[3-(diaminomethylideneamino)propyl]-15-[(4-hydroxyphenyl)methyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,19-trimethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C51H70N10O13
+CH$EXACT_MASS: 1030.512382
+CH$SMILES: O=C(N(C)C(C(N[C@@H](C1=O)C)=O)=C)CC[C@H](C(O)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CC3=CC=C(O)C=C3)NC(C[C@H](C(O)=O)NC([C@@H](N1)CCCNC(N)=N)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C51H70N10O13/c1-28(24-29(2)41(74-7)26-33-12-9-8-10-13-33)15-20-36-30(3)44(65)59-38(49(70)71)21-22-43(64)61(6)32(5)46(67)55-31(4)45(66)58-37(14-11-23-54-51(52)53)47(68)60-40(50(72)73)27-42(63)56-39(48(69)57-36)25-34-16-18-35(62)19-17-34/h8-10,12-13,15-20,24,29-31,36-41,62H,5,11,14,21-23,25-27H2,1-4,6-7H3,(H,55,67)(H,56,63)(H,57,69)(H,58,66)(H,59,65)(H,60,68)(H,70,71)(H,72,73)(H4,52,53,54)/b20-15+,28-24+/t29-,30-,31+,36-,37-,38+,39-,40+,41-/m0/s1
+CH$LINK: PUBCHEM CID:155801630
+CH$LINK: INCHIKEY AKRUYPJUAZTDLQ-XAIZWMDNSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 107-1071
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 17.041 min
+MS$FOCUSED_ION: BASE_PEAK 1029.5051
+MS$FOCUSED_ION: PRECURSOR_M/Z 1029.5051
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-016r-0910000000-05deb7232fdd4e885150
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  108.0329 C5H4N2O- 1 108.0329 0.21
+  109.0169 C5H3NO2- 1 109.0169 -0.65
+  109.0408 C5H5N2O- 1 109.0407 0.56
+  110.0247 C5H4NO2- 1 110.0248 -0.63
+  110.0723 C5H8N3- 1 110.0724 -0.94
+  111.0201 C4H3N2O2- 1 111.02 0.96
+  112.0403 C5H6NO2- 1 112.0404 -0.59
+  112.0769 C6H10NO- 1 112.0768 0.76
+  113.0355 C4H5N2O2- 1 113.0357 -1.06
+  113.072 C5H9N2O- 1 113.072 -0.33
+  119.0501 C8H7O- 1 119.0502 -0.79
+  124.0403 C6H6NO2- 1 124.0404 -0.6
+  125.0356 C5H5N2O2- 1 125.0357 -0.5
+  125.0717 C6H9N2O- 1 125.072 -2.64
+  127.0512 C5H7N2O2- 1 127.0513 -0.92
+  127.0874 C6H11N2O- 1 127.0877 -2.37
+  128.0353 C5H6NO3- 1 128.0353 -0.52
+  130.0985 C5H12N3O- 1 130.0986 -0.75
+  137.0718 C7H9N2O- 1 137.072 -1.73
+  139.0876 C7H11N2O- 1 139.0877 -0.72
+  140.0828 C6H10N3O- 1 140.0829 -1.23
+  145.029 C9H5O2- 1 145.0295 -3.29
+  149.0714 C8H9N2O- 2 149.072 -4.53
+  150.0554 C8H8NO2- 2 150.0561 -4.64
+  153.0665 C7H9N2O2- 1 153.067 -3.02
+  154.0981 C7H12N3O- 1 154.0986 -3.2
+  156.0773 C6H10N3O2- 1 156.0779 -3.34
+  156.1135 C7H14N3O- 2 156.1142 -4.66
+  162.0554 C9H8NO2- 2 162.0561 -4.27
+  166.098 C8H12N3O- 2 166.0986 -3.49
+  167.0821 C8H11N2O2- 2 167.0826 -3.22
+  170.093 C5H10N6O- 2 170.0922 4.77
+  181.1089 C8H13N4O- 3 181.1095 -3.11
+  183.1244 C7H19O5- 3 183.1238 3.29
+  184.1083 C6H12N6O- 2 184.1078 2.54
+  199.1189 C7H19O6- 2 199.1187 1.14
+  201.1347 C7H21O6- 2 201.1344 1.58
+  213.1347 C8H21O6- 3 213.1344 1.44
+  266.161 C11H24NO6- 3 266.1609 0.36
+PK$NUM_PEAK: 39
+PK$PEAK: m/z int. rel.int.
+  108.0329 37408.1 25
+  109.0169 38284.9 25
+  109.0408 105916.8 71
+  110.0247 177705.9 119
+  110.0723 25698.9 17
+  111.0201 53072.8 35
+  112.0403 65517 44
+  112.0769 26876.4 18
+  113.0355 279961.3 188
+  113.072 85698.2 57
+  119.0501 328138.5 220
+  124.0403 223695.5 150
+  125.0356 33917.9 22
+  125.0717 74215.1 49
+  127.0512 165450.9 111
+  127.0874 31983.9 21
+  128.0353 1485747.6 999
+  130.0985 308219.8 207
+  137.0718 288090.6 193
+  139.0876 36677.7 24
+  140.0828 224680 151
+  145.029 86497.2 58
+  149.0714 120373.4 80
+  150.0554 114942.3 77
+  153.0665 259283.5 174
+  154.0981 52970 35
+  156.0773 135060 90
+  156.1135 82205 55
+  162.0554 253559.3 170
+  166.098 782466.8 526
+  167.0821 121867.2 81
+  170.093 154223.2 103
+  181.1089 212870.7 143
+  183.1244 422643.3 284
+  184.1083 175508.5 118
+  199.1189 89081.2 59
+  201.1347 472155.5 317
+  213.1347 36073.8 24
+  266.161 507369.5 341
+//
diff --git a/Eawag/MSBNK-EAWAG-ED189558.txt b/Eawag/MSBNK-EAWAG-ED189558.txt
new file mode 100644
index 0000000000..82e9677330
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED189558.txt
@@ -0,0 +1,119 @@
+ACCESSION: MSBNK-EAWAG-ED189558
+RECORD_TITLE: [D-Asp3]MC-RY; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], A. Ballot [dtc], A. Dax [com] * Tentative, please confirm before release
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1895
+CH$NAME: [D-Asp3]MC-RY
+CH$NAME: (5R,8S,11R,15S,18S,19S,22R)-8-[3-(diaminomethylideneamino)propyl]-15-[(4-hydroxyphenyl)methyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,19-trimethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C51H70N10O13
+CH$EXACT_MASS: 1030.512382
+CH$SMILES: O=C(N(C)C(C(N[C@@H](C1=O)C)=O)=C)CC[C@H](C(O)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CC3=CC=C(O)C=C3)NC(C[C@H](C(O)=O)NC([C@@H](N1)CCCNC(N)=N)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C51H70N10O13/c1-28(24-29(2)41(74-7)26-33-12-9-8-10-13-33)15-20-36-30(3)44(65)59-38(49(70)71)21-22-43(64)61(6)32(5)46(67)55-31(4)45(66)58-37(14-11-23-54-51(52)53)47(68)60-40(50(72)73)27-42(63)56-39(48(69)57-36)25-34-16-18-35(62)19-17-34/h8-10,12-13,15-20,24,29-31,36-41,62H,5,11,14,21-23,25-27H2,1-4,6-7H3,(H,55,67)(H,56,63)(H,57,69)(H,58,66)(H,59,65)(H,60,68)(H,70,71)(H,72,73)(H4,52,53,54)/b20-15+,28-24+/t29-,30-,31+,36-,37-,38+,39-,40+,41-/m0/s1
+CH$LINK: PUBCHEM CID:155801630
+CH$LINK: INCHIKEY AKRUYPJUAZTDLQ-XAIZWMDNSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 107-1071
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 17.041 min
+MS$FOCUSED_ION: BASE_PEAK 1029.5051
+MS$FOCUSED_ION: PRECURSOR_M/Z 1029.5051
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-017i-0900000000-7ebb74c56014dcf45c5e
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  109.0168 C5H3NO2- 1 109.0169 -1.2
+  109.0406 C5H5N2O- 1 109.0407 -1.33
+  110.0248 C5H4NO2- 1 110.0248 -0.01
+  111.02 C4H3N2O2- 1 111.02 -0.07
+  111.0567 C5H7N2O- 1 111.0564 2.54
+  112.0405 C5H6NO2- 1 112.0404 0.84
+  112.077 C6H10NO- 1 112.0768 2.05
+  113.0356 C4H5N2O2- 1 113.0357 -0.45
+  113.072 C5H9N2O- 1 113.072 -0.53
+  117.0346 C8H5O- 1 117.0346 -0.12
+  119.0501 C8H7O- 1 119.0502 -1.5
+  123.0563 C6H7N2O- 1 123.0564 -0.54
+  124.0403 C6H6NO2- 1 124.0404 -0.96
+  125.072 C6H9N2O- 1 125.072 -0.44
+  127.0511 C5H7N2O2- 1 127.0513 -1.52
+  127.0876 C6H11N2O- 1 127.0877 -0.45
+  128.0352 C5H6NO3- 1 128.0353 -0.88
+  130.0984 C5H12N3O- 1 130.0986 -1.45
+  134.061 C8H8NO- 1 134.0611 -0.81
+  137.0717 C7H9N2O- 1 137.072 -2.4
+  138.0432 C6H6N2O2- 1 138.0435 -1.76
+  138.0559 C7H8NO2- 1 138.0561 -0.9
+  140.0826 C6H10N3O- 1 140.0829 -2.1
+  145.0289 C9H5O2- 2 145.0295 -4.44
+  149.0716 C8H9N2O- 1 149.072 -3
+  150.0556 C8H8NO2- 1 150.0561 -3.31
+  153.0664 C7H9N2O2- 2 153.067 -3.82
+  156.0773 C6H10N3O2- 1 156.0779 -3.53
+  156.1136 C7H14N3O- 2 156.1142 -4.27
+  162.0556 C9H8NO2- 1 162.0561 -2.86
+  166.0979 C8H12N3O- 2 166.0986 -3.95
+  167.0826 C8H11N2O2- 1 167.0826 -0.29
+  181.1087 C8H13N4O- 3 181.1095 -4.2
+  183.1243 C7H19O5- 3 183.1238 2.88
+  184.1084 C6H12N6O- 2 184.1078 3.29
+  199.119 C7H19O6- 2 199.1187 1.29
+  201.1345 C7H21O6- 2 201.1344 0.52
+  208.1197 C8H18NO5- 3 208.119 3.21
+  266.1611 C11H24NO6- 3 266.1609 0.59
+PK$NUM_PEAK: 39
+PK$PEAK: m/z int. rel.int.
+  109.0168 29718.5 35
+  109.0406 84924 100
+  110.0248 134439.1 158
+  111.02 33769.5 39
+  111.0567 44322.8 52
+  112.0405 43536 51
+  112.077 22961 27
+  113.0356 263728.1 311
+  113.072 81953.6 96
+  117.0346 37470.9 44
+  119.0501 280861.1 332
+  123.0563 57154.5 67
+  124.0403 181315.3 214
+  125.072 45853.4 54
+  127.0511 87868.4 103
+  127.0876 21753.1 25
+  128.0352 845075.8 999
+  130.0984 256343.7 303
+  134.061 26126.9 30
+  137.0717 221056.6 261
+  138.0432 67713.3 80
+  138.0559 40695.7 48
+  140.0826 193364.9 228
+  145.0289 76857.1 90
+  149.0716 73954.7 87
+  150.0556 92735.5 109
+  153.0664 151802.8 179
+  156.0773 90624.9 107
+  156.1136 83485.4 98
+  162.0556 121103 143
+  166.0979 685498.1 810
+  167.0826 74084 87
+  181.1087 170726.8 201
+  183.1243 456457.7 539
+  184.1084 139355.7 164
+  199.119 51800.2 61
+  201.1345 229047.2 270
+  208.1197 53049.1 62
+  266.1611 151597.4 179
+//
diff --git a/Eawag/MSBNK-EAWAG-ED189559.txt b/Eawag/MSBNK-EAWAG-ED189559.txt
new file mode 100644
index 0000000000..59fa8a38aa
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED189559.txt
@@ -0,0 +1,97 @@
+ACCESSION: MSBNK-EAWAG-ED189559
+RECORD_TITLE: [D-Asp3]MC-RY; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], A. Ballot [dtc], A. Dax [com] * Tentative, please confirm before release
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1895
+CH$NAME: [D-Asp3]MC-RY
+CH$NAME: (5R,8S,11R,15S,18S,19S,22R)-8-[3-(diaminomethylideneamino)propyl]-15-[(4-hydroxyphenyl)methyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,19-trimethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C51H70N10O13
+CH$EXACT_MASS: 1030.512382
+CH$SMILES: O=C(N(C)C(C(N[C@@H](C1=O)C)=O)=C)CC[C@H](C(O)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CC3=CC=C(O)C=C3)NC(C[C@H](C(O)=O)NC([C@@H](N1)CCCNC(N)=N)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C51H70N10O13/c1-28(24-29(2)41(74-7)26-33-12-9-8-10-13-33)15-20-36-30(3)44(65)59-38(49(70)71)21-22-43(64)61(6)32(5)46(67)55-31(4)45(66)58-37(14-11-23-54-51(52)53)47(68)60-40(50(72)73)27-42(63)56-39(48(69)57-36)25-34-16-18-35(62)19-17-34/h8-10,12-13,15-20,24,29-31,36-41,62H,5,11,14,21-23,25-27H2,1-4,6-7H3,(H,55,67)(H,56,63)(H,57,69)(H,58,66)(H,59,65)(H,60,68)(H,70,71)(H,72,73)(H4,52,53,54)/b20-15+,28-24+/t29-,30-,31+,36-,37-,38+,39-,40+,41-/m0/s1
+CH$LINK: PUBCHEM CID:155801630
+CH$LINK: INCHIKEY AKRUYPJUAZTDLQ-XAIZWMDNSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 107-1071
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 17.041 min
+MS$FOCUSED_ION: BASE_PEAK 1029.5051
+MS$FOCUSED_ION: PRECURSOR_M/Z 1029.5051
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-017i-0900000000-03d6129501a8d47f27e8
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  108.0328 C5H4N2O- 1 108.0329 -1.49
+  109.0169 C5H3NO2- 1 109.0169 -0.44
+  109.0407 C5H5N2O- 1 109.0407 0.07
+  110.0248 C5H4NO2- 1 110.0248 0.34
+  111.0564 C5H7N2O- 1 111.0564 0.2
+  112.0403 C5H6NO2- 1 112.0404 -1
+  113.0356 C4H5N2O2- 1 113.0357 -0.86
+  113.072 C5H9N2O- 1 113.072 -0.06
+  119.0501 C8H7O- 1 119.0502 -1.37
+  123.0563 C6H7N2O- 1 123.0564 -0.73
+  124.0402 C6H6NO2- 1 124.0404 -1.27
+  125.0596 C5H7N3O- 1 125.0595 0.92
+  127.0514 C5H7N2O2- 1 127.0513 0.7
+  128.0351 C5H6NO3- 1 128.0353 -1.35
+  130.0984 C5H12N3O- 1 130.0986 -1.57
+  133.0535 C8H7NO- 1 133.0533 1.46
+  137.0717 C7H9N2O- 1 137.072 -2.73
+  138.0434 C6H6N2O2- 1 138.0435 -0.77
+  140.0827 C6H10N3O- 1 140.0829 -1.88
+  149.0715 C8H9N2O- 1 149.072 -3.3
+  150.0556 C8H8NO2- 1 150.0561 -3.31
+  153.0664 C7H9N2O2- 1 153.067 -3.52
+  156.1137 C7H14N3O- 1 156.1142 -3.49
+  162.0556 C9H8NO2- 1 162.0561 -2.86
+  166.0979 C8H12N3O- 2 166.0986 -4.14
+  181.1086 C8H13N4O- 3 181.1095 -4.62
+  183.1242 C7H19O5- 3 183.1238 2.38
+  184.1085 C6H12N6O- 2 184.1078 3.78
+PK$NUM_PEAK: 28
+PK$PEAK: m/z int. rel.int.
+  108.0328 57991.4 140
+  109.0169 25946.3 63
+  109.0407 87458.9 212
+  110.0248 81014.3 196
+  111.0564 39524.8 96
+  112.0403 27250.2 66
+  113.0356 202947 493
+  113.072 78395 190
+  119.0501 271304 659
+  123.0563 47496 115
+  124.0402 124669.2 302
+  125.0596 39033.5 94
+  127.0514 42622.1 103
+  128.0351 374176.2 909
+  130.0984 206188.7 501
+  133.0535 19175.7 46
+  137.0717 158926.5 386
+  138.0434 47906.5 116
+  140.0827 146048.5 354
+  149.0715 38044.1 92
+  150.0556 46368 112
+  153.0664 50975.8 123
+  156.1137 76225.2 185
+  162.0556 65294.4 158
+  166.0979 411054.1 999
+  181.1086 103071.5 250
+  183.1242 347623.6 844
+  184.1085 76009.8 184
+//
diff --git a/Eawag/MSBNK-EAWAG-ED191151.txt b/Eawag/MSBNK-EAWAG-ED191151.txt
new file mode 100644
index 0000000000..5da3e9f868
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED191151.txt
@@ -0,0 +1,53 @@
+ACCESSION: MSBNK-EAWAG-ED191151
+RECORD_TITLE: [Leu1,Dha7]MC-LR (and isomers); LC-ESI-QFT; MS2; CE: 15%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], K. Thomas [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 1911
+CH$NAME: [Leu1,Dha7]MC-LR (and isomers)
+CH$NAME: [D-Leu1,D-Asp3]MC-LR
+CH$NAME: (5R,8S,11R,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,19-dimethyl-2-methylidene-5,8-bis(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C51H78N10O12
+CH$EXACT_MASS: 1022.580068
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)C[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C51H78N10O12/c1-28(2)23-38-47(67)59-39(24-29(3)4)48(68)60-40(50(71)72)27-42(62)55-36(17-14-22-54-51(52)53)46(66)56-35(19-18-30(5)25-31(6)41(73-10)26-34-15-12-11-13-16-34)32(7)44(64)57-37(49(69)70)20-21-43(63)61(9)33(8)45(65)58-38/h11-13,15-16,18-19,25,28-29,31-32,35-41H,8,14,17,20-24,26-27H2,1-7,9-10H3,(H,55,62)(H,56,66)(H,57,64)(H,58,65)(H,59,67)(H,60,68)(H,69,70)(H,71,72)(H4,52,53,54)/b19-18+,30-25+/t31-,32-,35-,36-,37+,38+,39-,40+,41-/m0/s1
+CH$LINK: CHEBI 214405
+CH$LINK: PUBCHEM CID:146683869
+CH$LINK: INCHIKEY AVSMHCMQBTVLHC-IBQQIYNOSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 106-1063
+AC$CHROMATOGRAPHY: COLUMN_NAME Acwuity UPLC HSS T3 1.8um, 3x100mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 85/15 at 0 min, 0/100 at 21 min, 0/100 at 25 min, 2/98 at 25.1 min, 2/98 at 31 min, 85/15 at 31.1 min, 85/15 at 33 min
+AC$CHROMATOGRAPHY: FLOW_RATE 300 uL/min at 0 min, 650 uL/min at 25.1 min, 300 uL/min at 31.1 min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.861 min
+MS$FOCUSED_ION: BASE_PEAK 985.5038
+MS$FOCUSED_ION: PRECURSOR_M/Z 1021.5728
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0079-4000000109-bb472464bcf8e2323512
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  113.5091 C4H65- 1 113.5092 -1.01
+  712.3669 C37H52N4O10- 11 712.3689 -2.76
+  756.393 C51H52N2O4- 11 756.3933 -0.37
+  985.5039 C51H69N8O12- 1 985.504 -0.19
+  1021.5733 C51H77N10O12- 1 1021.5728 0.48
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  113.5091 64084.1 28
+  712.3669 129314.6 57
+  756.393 313893.6 140
+  985.5039 2238402 999
+  1021.5733 1230179.4 549
+//
diff --git a/Eawag/MSBNK-EAWAG-ED191152.txt b/Eawag/MSBNK-EAWAG-ED191152.txt
new file mode 100644
index 0000000000..a634d55b75
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED191152.txt
@@ -0,0 +1,53 @@
+ACCESSION: MSBNK-EAWAG-ED191152
+RECORD_TITLE: [Leu1,Dha7]MC-LR (and isomers); LC-ESI-QFT; MS2; CE: 20%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], K. Thomas [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 1911
+CH$NAME: [Leu1,Dha7]MC-LR (and isomers)
+CH$NAME: [D-Leu1,D-Asp3]MC-LR
+CH$NAME: (5R,8S,11R,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,19-dimethyl-2-methylidene-5,8-bis(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C51H78N10O12
+CH$EXACT_MASS: 1022.580068
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)C[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C51H78N10O12/c1-28(2)23-38-47(67)59-39(24-29(3)4)48(68)60-40(50(71)72)27-42(62)55-36(17-14-22-54-51(52)53)46(66)56-35(19-18-30(5)25-31(6)41(73-10)26-34-15-12-11-13-16-34)32(7)44(64)57-37(49(69)70)20-21-43(63)61(9)33(8)45(65)58-38/h11-13,15-16,18-19,25,28-29,31-32,35-41H,8,14,17,20-24,26-27H2,1-7,9-10H3,(H,55,62)(H,56,66)(H,57,64)(H,58,65)(H,59,67)(H,60,68)(H,69,70)(H,71,72)(H4,52,53,54)/b19-18+,30-25+/t31-,32-,35-,36-,37+,38+,39-,40+,41-/m0/s1
+CH$LINK: CHEBI 214405
+CH$LINK: PUBCHEM CID:146683869
+CH$LINK: INCHIKEY AVSMHCMQBTVLHC-IBQQIYNOSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 106-1063
+AC$CHROMATOGRAPHY: COLUMN_NAME Acwuity UPLC HSS T3 1.8um, 3x100mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 85/15 at 0 min, 0/100 at 21 min, 0/100 at 25 min, 2/98 at 25.1 min, 2/98 at 31 min, 85/15 at 31.1 min, 85/15 at 33 min
+AC$CHROMATOGRAPHY: FLOW_RATE 300 uL/min at 0 min, 650 uL/min at 25.1 min, 300 uL/min at 31.1 min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.861 min
+MS$FOCUSED_ION: BASE_PEAK 985.5038
+MS$FOCUSED_ION: PRECURSOR_M/Z 1021.5728
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-01w0-7000000907-c20aa4f272da9cbd1d44
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  712.367 C37H52N4O10- 11 712.3689 -2.59
+  756.3932 C51H52N2O4- 10 756.3933 -0.05
+  985.5035 C51H69N8O12- 1 985.504 -0.56
+  1003.5603 C51H75N10O11- 1 1003.5622 -1.89
+  1021.5729 C51H77N10O12- 1 1021.5728 0.06
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  712.367 844224.1 901
+  756.3932 281191.1 300
+  985.5035 935113.5 999
+  1003.5603 79347.2 84
+  1021.5729 881423.2 941
+//
diff --git a/Eawag/MSBNK-EAWAG-ED191153.txt b/Eawag/MSBNK-EAWAG-ED191153.txt
new file mode 100644
index 0000000000..af4d5a5eb3
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED191153.txt
@@ -0,0 +1,53 @@
+ACCESSION: MSBNK-EAWAG-ED191153
+RECORD_TITLE: [Leu1,Dha7]MC-LR (and isomers); LC-ESI-QFT; MS2; CE: 25%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], K. Thomas [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 1911
+CH$NAME: [Leu1,Dha7]MC-LR (and isomers)
+CH$NAME: [D-Leu1,D-Asp3]MC-LR
+CH$NAME: (5R,8S,11R,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,19-dimethyl-2-methylidene-5,8-bis(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C51H78N10O12
+CH$EXACT_MASS: 1022.580068
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)C[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C51H78N10O12/c1-28(2)23-38-47(67)59-39(24-29(3)4)48(68)60-40(50(71)72)27-42(62)55-36(17-14-22-54-51(52)53)46(66)56-35(19-18-30(5)25-31(6)41(73-10)26-34-15-12-11-13-16-34)32(7)44(64)57-37(49(69)70)20-21-43(63)61(9)33(8)45(65)58-38/h11-13,15-16,18-19,25,28-29,31-32,35-41H,8,14,17,20-24,26-27H2,1-7,9-10H3,(H,55,62)(H,56,66)(H,57,64)(H,58,65)(H,59,67)(H,60,68)(H,69,70)(H,71,72)(H4,52,53,54)/b19-18+,30-25+/t31-,32-,35-,36-,37+,38+,39-,40+,41-/m0/s1
+CH$LINK: CHEBI 214405
+CH$LINK: PUBCHEM CID:146683869
+CH$LINK: INCHIKEY AVSMHCMQBTVLHC-IBQQIYNOSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 106-1063
+AC$CHROMATOGRAPHY: COLUMN_NAME Acwuity UPLC HSS T3 1.8um, 3x100mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 85/15 at 0 min, 0/100 at 21 min, 0/100 at 25 min, 2/98 at 25.1 min, 2/98 at 31 min, 85/15 at 31.1 min, 85/15 at 33 min
+AC$CHROMATOGRAPHY: FLOW_RATE 300 uL/min at 0 min, 650 uL/min at 25.1 min, 300 uL/min at 31.1 min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.861 min
+MS$FOCUSED_ION: BASE_PEAK 985.5038
+MS$FOCUSED_ION: PRECURSOR_M/Z 1021.5728
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-03dr-6000000904-edc57e41c83c5aa4adf8
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  113.5092 C4H65- 1 113.5092 0.14
+  712.3671 C37H52N4O10- 10 712.3689 -2.5
+  985.5037 C51H69N8O12- 1 985.504 -0.31
+  1003.5609 C51H75N10O11- 1 1003.5622 -1.34
+  1021.5721 C51H77N10O12- 1 1021.5728 -0.71
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  113.5092 30086.1 26
+  712.3671 1127561.2 999
+  985.5037 623447.2 552
+  1003.5609 291158.8 257
+  1021.5721 541717.2 479
+//
diff --git a/Eawag/MSBNK-EAWAG-ED191154.txt b/Eawag/MSBNK-EAWAG-ED191154.txt
new file mode 100644
index 0000000000..ba9dbfd7e6
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED191154.txt
@@ -0,0 +1,51 @@
+ACCESSION: MSBNK-EAWAG-ED191154
+RECORD_TITLE: [Leu1,Dha7]MC-LR (and isomers); LC-ESI-QFT; MS2; CE: 30%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], K. Thomas [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 1911
+CH$NAME: [Leu1,Dha7]MC-LR (and isomers)
+CH$NAME: [D-Leu1,D-Asp3]MC-LR
+CH$NAME: (5R,8S,11R,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,19-dimethyl-2-methylidene-5,8-bis(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C51H78N10O12
+CH$EXACT_MASS: 1022.580068
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)C[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C51H78N10O12/c1-28(2)23-38-47(67)59-39(24-29(3)4)48(68)60-40(50(71)72)27-42(62)55-36(17-14-22-54-51(52)53)46(66)56-35(19-18-30(5)25-31(6)41(73-10)26-34-15-12-11-13-16-34)32(7)44(64)57-37(49(69)70)20-21-43(63)61(9)33(8)45(65)58-38/h11-13,15-16,18-19,25,28-29,31-32,35-41H,8,14,17,20-24,26-27H2,1-7,9-10H3,(H,55,62)(H,56,66)(H,57,64)(H,58,65)(H,59,67)(H,60,68)(H,69,70)(H,71,72)(H4,52,53,54)/b19-18+,30-25+/t31-,32-,35-,36-,37+,38+,39-,40+,41-/m0/s1
+CH$LINK: CHEBI 214405
+CH$LINK: PUBCHEM CID:146683869
+CH$LINK: INCHIKEY AVSMHCMQBTVLHC-IBQQIYNOSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 106-1063
+AC$CHROMATOGRAPHY: COLUMN_NAME Acwuity UPLC HSS T3 1.8um, 3x100mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 85/15 at 0 min, 0/100 at 21 min, 0/100 at 25 min, 2/98 at 25.1 min, 2/98 at 31 min, 85/15 at 31.1 min, 85/15 at 33 min
+AC$CHROMATOGRAPHY: FLOW_RATE 300 uL/min at 0 min, 650 uL/min at 25.1 min, 300 uL/min at 31.1 min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.861 min
+MS$FOCUSED_ION: BASE_PEAK 985.5038
+MS$FOCUSED_ION: PRECURSOR_M/Z 1021.5728
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-03di-5000000904-3a6b735257aa38577921
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  712.3668 C37H52N4O10- 11 712.3689 -2.93
+  985.5042 C51H69N8O12- 1 985.504 0.12
+  1003.5621 C51H75N10O11- 1 1003.5622 -0.13
+  1021.5713 C51H77N10O12- 1 1021.5728 -1.43
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  712.3668 972072.1 999
+  985.5042 454988.4 467
+  1003.5621 462557.2 475
+  1021.5713 170476.3 175
+//
diff --git a/Eawag/MSBNK-EAWAG-ED191155.txt b/Eawag/MSBNK-EAWAG-ED191155.txt
new file mode 100644
index 0000000000..de247d3c5f
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED191155.txt
@@ -0,0 +1,57 @@
+ACCESSION: MSBNK-EAWAG-ED191155
+RECORD_TITLE: [Leu1,Dha7]MC-LR (and isomers); LC-ESI-QFT; MS2; CE: 35%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], K. Thomas [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 1911
+CH$NAME: [Leu1,Dha7]MC-LR (and isomers)
+CH$NAME: [D-Leu1,D-Asp3]MC-LR
+CH$NAME: (5R,8S,11R,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,19-dimethyl-2-methylidene-5,8-bis(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C51H78N10O12
+CH$EXACT_MASS: 1022.580068
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)C[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C51H78N10O12/c1-28(2)23-38-47(67)59-39(24-29(3)4)48(68)60-40(50(71)72)27-42(62)55-36(17-14-22-54-51(52)53)46(66)56-35(19-18-30(5)25-31(6)41(73-10)26-34-15-12-11-13-16-34)32(7)44(64)57-37(49(69)70)20-21-43(63)61(9)33(8)45(65)58-38/h11-13,15-16,18-19,25,28-29,31-32,35-41H,8,14,17,20-24,26-27H2,1-7,9-10H3,(H,55,62)(H,56,66)(H,57,64)(H,58,65)(H,59,67)(H,60,68)(H,69,70)(H,71,72)(H4,52,53,54)/b19-18+,30-25+/t31-,32-,35-,36-,37+,38+,39-,40+,41-/m0/s1
+CH$LINK: CHEBI 214405
+CH$LINK: PUBCHEM CID:146683869
+CH$LINK: INCHIKEY AVSMHCMQBTVLHC-IBQQIYNOSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 35 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 106-1063
+AC$CHROMATOGRAPHY: COLUMN_NAME Acwuity UPLC HSS T3 1.8um, 3x100mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 85/15 at 0 min, 0/100 at 21 min, 0/100 at 25 min, 2/98 at 25.1 min, 2/98 at 31 min, 85/15 at 31.1 min, 85/15 at 33 min
+AC$CHROMATOGRAPHY: FLOW_RATE 300 uL/min at 0 min, 650 uL/min at 25.1 min, 300 uL/min at 31.1 min
+AC$CHROMATOGRAPHY: RETENTION_TIME 9.861 min
+MS$FOCUSED_ION: BASE_PEAK 985.5038
+MS$FOCUSED_ION: PRECURSOR_M/Z 1021.5728
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0ik9-3100022900-0fbd8a02290a6cff6b6a
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  128.0352 C5H6NO3- 1 128.0353 -0.69
+  325.2241 C16H29N4O3- 4 325.2245 -1.42
+  514.265 C24H34N8O5- 7 514.2658 -1.49
+  656.3413 C32H46N7O8- 11 656.3413 -0.01
+  704.3666 C50H46N3O- 9 704.3646 2.85
+  712.3677 C37H52N4O10- 10 712.3689 -1.73
+  1003.5604 C51H75N10O11- 1 1003.5622 -1.83
+PK$NUM_PEAK: 7
+PK$PEAK: m/z int. rel.int.
+  128.0352 88727.9 238
+  325.2241 47716.8 128
+  514.265 109840.3 295
+  656.3413 98493.2 265
+  704.3666 71320.7 192
+  712.3677 371056.9 999
+  1003.5604 188202.8 506
+//
diff --git a/Eawag/MSBNK-EAWAG-ED191601.txt b/Eawag/MSBNK-EAWAG-ED191601.txt
new file mode 100644
index 0000000000..2bf533bde4
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED191601.txt
@@ -0,0 +1,73 @@
+ACCESSION: MSBNK-EAWAG-ED191601
+RECORD_TITLE: MC-LY; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.aquatox.2023.106689
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1916
+CH$NAME: MC-LY
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-(4-hydroxybenzyl)-8-isobutyl-18-((1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl)-1,5,12,19-tetramethyl-2-methylene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptaazacyclopentacosane-11,22-dicarboxylic acid
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[(4-hydroxyphenyl)methyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H71N7O13
+CH$EXACT_MASS: 1001.510985
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C52H71N7O13/c1-28(2)24-40-50(67)58-44(52(70)71)32(6)46(63)56-41(26-36-17-19-37(60)20-18-36)49(66)54-38(21-16-29(3)25-30(4)42(72-10)27-35-14-12-11-13-15-35)31(5)45(62)55-39(51(68)69)22-23-43(61)59(9)34(8)48(65)53-33(7)47(64)57-40/h11-21,25,28,30-33,38-42,44,60H,8,22-24,26-27H2,1-7,9-10H3,(H,53,65)(H,54,66)(H,55,62)(H,56,63)(H,57,64)(H,58,67)(H,68,69)(H,70,71)/b21-16+,29-25+/t30-,31-,32-,33+,38-,39+,40-,41-,42-,44+/m0/s1
+CH$LINK: CAS 123304-10-9
+CH$LINK: PUBCHEM CID:71312414
+CH$LINK: INCHIKEY SIGQAYSWORHPPH-WSTSHCHISA-N
+CH$LINK: CHEMSPIDER 22905963
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 104-1044
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.600 min
+MS$FOCUSED_ION: BASE_PEAK 132.9582
+MS$FOCUSED_ION: PRECURSOR_M/Z 1002.5183
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0gb9-0000330091-ea5907f3c4c9c8fafaee
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  258.185 C17H24NO+ 4 258.1852 -0.98
+  375.1914 C20H27N2O5+ 5 375.1914 -0.03
+  423.2241 C20H31N4O6+ 5 423.2238 0.76
+  446.2291 C23H32N3O6+ 6 446.2286 1.28
+  477.2369 C26H31N5O4+ 4 477.2371 -0.35
+  494.2613 C23H36N5O7+ 6 494.2609 0.67
+  509.2649 C15H39N7O12+ 6 509.2651 -0.39
+  560.2717 C27H38N5O8+ 6 560.2715 0.38
+  577.2984 C27H41N6O8+ 7 577.298 0.59
+  580.3023 C32H42N3O7+ 6 580.3017 0.96
+  850.4349 C45H62N4O12+ 4 850.4359 -1.12
+  851.4192 C43H59N6O12+ 4 851.4185 0.74
+  868.4458 C45H64N4O13+ 3 868.4464 -0.74
+  985.4931 C52H69N6O13+ 1 985.4917 1.42
+PK$NUM_PEAK: 14
+PK$PEAK: m/z int. rel.int.
+  258.185 82855.5 51
+  375.1914 202412.6 125
+  423.2241 175131.8 108
+  446.2291 114763.6 71
+  477.2369 123506.4 76
+  494.2613 772730.5 478
+  509.2649 242348 150
+  560.2717 250309.2 155
+  577.2984 422377.7 261
+  580.3023 126823.4 78
+  850.4349 330012.9 204
+  851.4192 746212.4 462
+  868.4458 1612960.8 999
+  985.4931 368440.3 228
+//
diff --git a/Eawag/MSBNK-EAWAG-ED191602.txt b/Eawag/MSBNK-EAWAG-ED191602.txt
new file mode 100644
index 0000000000..746dac0ff3
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED191602.txt
@@ -0,0 +1,103 @@
+ACCESSION: MSBNK-EAWAG-ED191602
+RECORD_TITLE: MC-LY; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.aquatox.2023.106689
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1916
+CH$NAME: MC-LY
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-(4-hydroxybenzyl)-8-isobutyl-18-((1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl)-1,5,12,19-tetramethyl-2-methylene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptaazacyclopentacosane-11,22-dicarboxylic acid
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[(4-hydroxyphenyl)methyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H71N7O13
+CH$EXACT_MASS: 1001.510985
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C52H71N7O13/c1-28(2)24-40-50(67)58-44(52(70)71)32(6)46(63)56-41(26-36-17-19-37(60)20-18-36)49(66)54-38(21-16-29(3)25-30(4)42(72-10)27-35-14-12-11-13-15-35)31(5)45(62)55-39(51(68)69)22-23-43(61)59(9)34(8)48(65)53-33(7)47(64)57-40/h11-21,25,28,30-33,38-42,44,60H,8,22-24,26-27H2,1-7,9-10H3,(H,53,65)(H,54,66)(H,55,62)(H,56,63)(H,57,64)(H,58,67)(H,68,69)(H,70,71)/b21-16+,29-25+/t30-,31-,32-,33+,38-,39+,40-,41-,42-,44+/m0/s1
+CH$LINK: CAS 123304-10-9
+CH$LINK: PUBCHEM CID:71312414
+CH$LINK: INCHIKEY SIGQAYSWORHPPH-WSTSHCHISA-N
+CH$LINK: CHEMSPIDER 22905963
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 104-1044
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.600 min
+MS$FOCUSED_ION: BASE_PEAK 132.9582
+MS$FOCUSED_ION: PRECURSOR_M/Z 1002.5183
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-01t9-0237890050-022cb553cdaef2501b00
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  107.0857 C8H11+ 1 107.0855 1.42
+  135.0804 C9H11O+ 1 135.0804 -0.31
+  155.0815 C7H11N2O2+ 1 155.0815 0.03
+  163.1116 C11H15O+ 1 163.1117 -1.07
+  195.076 C9H11N2O3+ 2 195.0764 -1.91
+  213.0867 C9H13N2O4+ 2 213.087 -1.48
+  237.163 C3H27NO10+ 2 237.1629 0.35
+  246.1486 C15H20NO2+ 4 246.1489 -1.07
+  265.1182 C13H17N2O4+ 2 265.1183 -0.44
+  265.1581 C4H27NO11+ 4 265.1579 1.07
+  268.1649 C13H22N3O3+ 2 268.1656 -2.6
+  310.1392 C14H20N3O5+ 2 310.1397 -1.61
+  347.1957 C19H27N2O4+ 4 347.1965 -2.43
+  357.1819 C20H25N2O4+ 5 357.1809 2.94
+  375.1913 C20H27N2O5+ 4 375.1914 -0.28
+  397.2076 C18H29N4O6+ 4 397.2082 -1.33
+  406.1963 C20H28N3O6+ 3 406.1973 -2.28
+  446.2286 C23H32N3O6+ 5 446.2286 0.18
+  477.2362 C25H35NO8+ 4 477.2357 0.92
+  494.2613 C23H36N5O7+ 6 494.2609 0.67
+  509.2653 C15H39N7O12+ 6 509.2651 0.39
+  532.2782 C28H40N2O8+ 5 532.2779 0.44
+  560.2714 C27H38N5O8+ 7 560.2715 -0.16
+  577.2984 C27H41N6O8+ 7 577.298 0.59
+  580.3023 C32H42N3O7+ 6 580.3017 0.96
+  850.4355 C45H62N4O12+ 4 850.4359 -0.47
+  851.419 C43H59N6O12+ 4 851.4185 0.52
+  868.4453 C43H62N7O12+ 3 868.4451 0.25
+  985.489 C52H69N6O13+ 1 985.4917 -2.79
+PK$NUM_PEAK: 29
+PK$PEAK: m/z int. rel.int.
+  107.0857 14456.5 19
+  135.0804 100573.9 138
+  155.0815 15057.4 20
+  163.1116 184119.3 253
+  195.076 73272.9 100
+  213.0867 144840.7 199
+  237.163 45025.3 62
+  246.1486 46885.3 64
+  265.1182 96213.9 132
+  265.1581 65632.1 90
+  268.1649 68182.4 93
+  310.1392 260312.6 358
+  347.1957 59135.6 81
+  357.1819 11348.1 15
+  375.1913 725008.6 999
+  397.2076 127379.8 175
+  406.1963 28410 39
+  446.2286 381071.7 525
+  477.2362 253440.4 349
+  494.2613 606677.2 835
+  509.2653 290407.6 400
+  532.2782 110126.6 151
+  560.2714 477229.8 657
+  577.2984 276174.7 380
+  580.3023 202313.9 278
+  850.4355 257484.9 354
+  851.419 176852.2 243
+  868.4453 444512.5 612
+  985.489 59001.2 81
+//
diff --git a/Eawag/MSBNK-EAWAG-ED191603.txt b/Eawag/MSBNK-EAWAG-ED191603.txt
new file mode 100644
index 0000000000..5aba00b522
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED191603.txt
@@ -0,0 +1,109 @@
+ACCESSION: MSBNK-EAWAG-ED191603
+RECORD_TITLE: MC-LY; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.aquatox.2023.106689
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1916
+CH$NAME: MC-LY
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-(4-hydroxybenzyl)-8-isobutyl-18-((1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl)-1,5,12,19-tetramethyl-2-methylene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptaazacyclopentacosane-11,22-dicarboxylic acid
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[(4-hydroxyphenyl)methyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H71N7O13
+CH$EXACT_MASS: 1001.510985
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C52H71N7O13/c1-28(2)24-40-50(67)58-44(52(70)71)32(6)46(63)56-41(26-36-17-19-37(60)20-18-36)49(66)54-38(21-16-29(3)25-30(4)42(72-10)27-35-14-12-11-13-15-35)31(5)45(62)55-39(51(68)69)22-23-43(61)59(9)34(8)48(65)53-33(7)47(64)57-40/h11-21,25,28,30-33,38-42,44,60H,8,22-24,26-27H2,1-7,9-10H3,(H,53,65)(H,54,66)(H,55,62)(H,56,63)(H,57,64)(H,58,67)(H,68,69)(H,70,71)/b21-16+,29-25+/t30-,31-,32-,33+,38-,39+,40-,41-,42-,44+/m0/s1
+CH$LINK: CAS 123304-10-9
+CH$LINK: PUBCHEM CID:71312414
+CH$LINK: INCHIKEY SIGQAYSWORHPPH-WSTSHCHISA-N
+CH$LINK: CHEMSPIDER 22905963
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 104-1044
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.600 min
+MS$FOCUSED_ION: BASE_PEAK 132.9582
+MS$FOCUSED_ION: PRECURSOR_M/Z 1002.5183
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03fs-0689420000-0cce51e73571aa0baf6d
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  107.0854 C8H11+ 1 107.0855 -1.64
+  124.1121 C8H14N+ 1 124.1121 0.47
+  135.0804 C9H11O+ 1 135.0804 -0.43
+  138.0555 C7H8NO2+ 1 138.055 3.88
+  143.0856 C11H11+ 1 143.0855 0.38
+  155.0811 C7H11N2O2+ 1 155.0815 -2.93
+  163.1117 C11H15O+ 1 163.1117 -0.04
+  195.0761 C9H11N2O3+ 1 195.0764 -1.6
+  213.0867 C9H13N2O4+ 2 213.087 -1.41
+  218.1534 C14H20NO+ 3 218.1539 -2.43
+  226.1591 CH26N2O10+ 3 226.1582 3.84
+  237.1634 C3H27NO10+ 3 237.1629 2.09
+  246.1482 C15H20NO2+ 4 246.1489 -2.5
+  247.1076 C13H15N2O3+ 1 247.1077 -0.34
+  265.1181 C13H17N2O4+ 2 265.1183 -0.78
+  265.1582 C4H27NO11+ 4 265.1579 1.41
+  268.1652 C13H22N3O3+ 2 268.1656 -1.35
+  282.1854 C4H30N2O11+ 3 282.1844 3.54
+  297.1845 C5H31NO12+ 4 297.1841 1.39
+  310.1394 C14H20N3O5+ 2 310.1397 -1.12
+  347.1964 C19H27N2O4+ 4 347.1965 -0.5
+  351.203 C17H27N4O4+ 5 351.2027 0.91
+  375.1915 C20H27N2O5+ 5 375.1914 0.13
+  397.208 C18H29N4O6+ 4 397.2082 -0.48
+  446.2287 C23H32N3O6+ 5 446.2286 0.32
+  477.2361 C25H35NO8+ 4 477.2357 0.73
+  494.2614 C23H36N5O7+ 6 494.2609 0.92
+  509.2653 C15H39N7O12+ 6 509.2651 0.27
+  532.2775 C28H40N2O8+ 5 532.2779 -0.7
+  560.272 C27H38N5O8+ 6 560.2715 0.93
+  868.4451 C43H62N7O12+ 3 868.4451 0.04
+  940.5219 C51H70N7O10+ 1 940.5179 4.29
+PK$NUM_PEAK: 32
+PK$PEAK: m/z int. rel.int.
+  107.0854 78202.5 107
+  124.1121 48075.7 65
+  135.0804 302729.4 414
+  138.0555 19312.2 26
+  143.0856 34005.3 46
+  155.0811 104352.1 142
+  163.1117 347440.2 475
+  195.0761 97238.3 133
+  213.0867 378106.2 517
+  218.1534 41345.9 56
+  226.1591 42844.1 58
+  237.1634 110398.3 151
+  246.1482 94564.6 129
+  247.1076 35745.4 48
+  265.1181 281712.9 385
+  265.1582 124359 170
+  268.1652 174190.6 238
+  282.1854 45491.1 62
+  297.1845 68699.8 94
+  310.1394 313586.8 429
+  347.1964 140470.8 192
+  351.203 50226.8 68
+  375.1915 729661.4 999
+  397.208 285166 390
+  446.2287 402182.2 550
+  477.2361 196411 268
+  494.2614 183599.5 251
+  509.2653 101151.8 138
+  532.2775 126661.3 173
+  560.272 250225.6 342
+  868.4451 80087.8 109
+  940.5219 23337.2 31
+//
diff --git a/Eawag/MSBNK-EAWAG-ED191604.txt b/Eawag/MSBNK-EAWAG-ED191604.txt
new file mode 100644
index 0000000000..a8a347b17d
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED191604.txt
@@ -0,0 +1,117 @@
+ACCESSION: MSBNK-EAWAG-ED191604
+RECORD_TITLE: MC-LY; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.aquatox.2023.106689
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1916
+CH$NAME: MC-LY
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-(4-hydroxybenzyl)-8-isobutyl-18-((1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl)-1,5,12,19-tetramethyl-2-methylene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptaazacyclopentacosane-11,22-dicarboxylic acid
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[(4-hydroxyphenyl)methyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H71N7O13
+CH$EXACT_MASS: 1001.510985
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C52H71N7O13/c1-28(2)24-40-50(67)58-44(52(70)71)32(6)46(63)56-41(26-36-17-19-37(60)20-18-36)49(66)54-38(21-16-29(3)25-30(4)42(72-10)27-35-14-12-11-13-15-35)31(5)45(62)55-39(51(68)69)22-23-43(61)59(9)34(8)48(65)53-33(7)47(64)57-40/h11-21,25,28,30-33,38-42,44,60H,8,22-24,26-27H2,1-7,9-10H3,(H,53,65)(H,54,66)(H,55,62)(H,56,63)(H,57,64)(H,58,67)(H,68,69)(H,70,71)/b21-16+,29-25+/t30-,31-,32-,33+,38-,39+,40-,41-,42-,44+/m0/s1
+CH$LINK: CAS 123304-10-9
+CH$LINK: PUBCHEM CID:71312414
+CH$LINK: INCHIKEY SIGQAYSWORHPPH-WSTSHCHISA-N
+CH$LINK: CHEMSPIDER 22905963
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 104-1044
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.600 min
+MS$FOCUSED_ION: BASE_PEAK 132.9582
+MS$FOCUSED_ION: PRECURSOR_M/Z 1002.5183
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03di-0985100000-1cdfe755a2bbecc29fc3
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  105.0702 C8H9+ 1 105.0699 3.4
+  107.0856 C8H11+ 1 107.0855 0.85
+  124.1119 C8H14N+ 1 124.1121 -1.62
+  127.0865 C6H11N2O+ 1 127.0866 -0.95
+  135.0804 C9H11O+ 1 135.0804 0.03
+  135.1167 C10H15+ 1 135.1168 -0.71
+  136.0757 C8H10NO+ 1 136.0757 0.28
+  138.0549 C7H8NO2+ 1 138.055 -0.76
+  143.0857 C11H11+ 1 143.0855 1.45
+  155.0815 C7H11N2O2+ 1 155.0815 -0.17
+  161.0959 C11H13O+ 1 161.0961 -0.91
+  163.1117 C11H15O+ 1 163.1117 -0.13
+  167.0816 C8H11N2O2+ 1 167.0815 0.41
+  195.0765 C9H11N2O3+ 1 195.0764 0.2
+  213.0866 C9H13N2O4+ 2 213.087 -1.63
+  218.1536 C14H20NO+ 3 218.1539 -1.73
+  226.1587 CH26N2O10+ 3 226.1582 2.22
+  237.1624 C3H27NO10+ 2 237.1629 -2.22
+  239.0662 C10H11N2O5+ 1 239.0662 -0.37
+  246.1482 C15H20NO2+ 4 246.1489 -2.68
+  247.1077 C13H15N2O3+ 1 247.1077 -0.03
+  258.1849 C17H24NO+ 4 258.1852 -1.34
+  265.1182 C13H17N2O4+ 2 265.1183 -0.44
+  265.1577 C4H27NO11+ 4 265.1579 -0.77
+  268.1651 C13H22N3O3+ 2 268.1656 -1.8
+  292.1231 C6H20N4O9+ 2 292.1225 2.23
+  293.1125 C12H15N5O4+ 3 293.1119 2.15
+  310.1396 C14H20N3O5+ 4 310.1397 -0.33
+  329.1862 C5H27N7O9+ 4 329.1865 -0.98
+  347.1961 C19H27N2O4+ 3 347.1965 -1.2
+  375.1916 C20H27N2O5+ 5 375.1914 0.29
+  378.2013 C17H26N6O4+ 3 378.201 0.7
+  397.2082 C18H29N4O6+ 5 397.2082 0.21
+  423.2242 C20H31N4O6+ 5 423.2238 0.83
+  446.228 C23H32N3O6+ 5 446.2286 -1.18
+  477.2369 C26H31N5O4+ 4 477.2371 -0.28
+PK$NUM_PEAK: 36
+PK$PEAK: m/z int. rel.int.
+  105.0702 34658.8 64
+  107.0856 215927.7 403
+  124.1119 62105.6 116
+  127.0865 127233.1 238
+  135.0804 491822.8 920
+  135.1167 178699.5 334
+  136.0757 127088.8 237
+  138.0549 56520.9 105
+  143.0857 32514.1 60
+  155.0815 212727.4 397
+  161.0959 41151.6 76
+  163.1117 451151.2 844
+  167.0816 35189.1 65
+  195.0765 99474.9 186
+  213.0866 533976.8 999
+  218.1536 65576.4 122
+  226.1587 51647.7 96
+  237.1624 104391.6 195
+  239.0662 32774.9 61
+  246.1482 118896.2 222
+  247.1077 65225.2 122
+  258.1849 133175.4 249
+  265.1182 471805.4 882
+  265.1577 113427.9 212
+  268.1651 149214.2 279
+  292.1231 23480 43
+  293.1125 255691.4 478
+  310.1396 200250.3 374
+  329.1862 70225.7 131
+  347.1961 138785.2 259
+  375.1916 516662.9 966
+  378.2013 40960.3 76
+  397.2082 291629 545
+  423.2242 67903.1 127
+  446.228 148363.2 277
+  477.2369 60657.8 113
+//
diff --git a/Eawag/MSBNK-EAWAG-ED191605.txt b/Eawag/MSBNK-EAWAG-ED191605.txt
new file mode 100644
index 0000000000..7af72bfaa0
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED191605.txt
@@ -0,0 +1,109 @@
+ACCESSION: MSBNK-EAWAG-ED191605
+RECORD_TITLE: MC-LY; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.aquatox.2023.106689
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1916
+CH$NAME: MC-LY
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-(4-hydroxybenzyl)-8-isobutyl-18-((1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl)-1,5,12,19-tetramethyl-2-methylene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptaazacyclopentacosane-11,22-dicarboxylic acid
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[(4-hydroxyphenyl)methyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H71N7O13
+CH$EXACT_MASS: 1001.510985
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C52H71N7O13/c1-28(2)24-40-50(67)58-44(52(70)71)32(6)46(63)56-41(26-36-17-19-37(60)20-18-36)49(66)54-38(21-16-29(3)25-30(4)42(72-10)27-35-14-12-11-13-15-35)31(5)45(62)55-39(51(68)69)22-23-43(61)59(9)34(8)48(65)53-33(7)47(64)57-40/h11-21,25,28,30-33,38-42,44,60H,8,22-24,26-27H2,1-7,9-10H3,(H,53,65)(H,54,66)(H,55,62)(H,56,63)(H,57,64)(H,58,67)(H,68,69)(H,70,71)/b21-16+,29-25+/t30-,31-,32-,33+,38-,39+,40-,41-,42-,44+/m0/s1
+CH$LINK: CAS 123304-10-9
+CH$LINK: PUBCHEM CID:71312414
+CH$LINK: INCHIKEY SIGQAYSWORHPPH-WSTSHCHISA-N
+CH$LINK: CHEMSPIDER 22905963
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 104-1044
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.600 min
+MS$FOCUSED_ION: BASE_PEAK 132.9582
+MS$FOCUSED_ION: PRECURSOR_M/Z 1002.5183
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-06ri-0930000000-789fe07e2d6dff5f6f54
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  105.0699 C8H9+ 1 105.0699 0.06
+  107.0856 C8H11+ 1 107.0855 0.92
+  117.0702 C9H9+ 1 117.0699 2.62
+  124.076 C7H10NO+ 1 124.0757 2.87
+  124.112 C8H14N+ 1 124.1121 -0.58
+  127.0866 C6H11N2O+ 1 127.0866 -0.11
+  131.0857 C10H11+ 1 131.0855 1.34
+  135.0805 C9H11O+ 1 135.0804 0.25
+  135.1168 C10H15+ 1 135.1168 -0.49
+  136.0757 C8H10NO+ 1 136.0757 -0.05
+  138.0549 C7H8NO2+ 1 138.055 -0.21
+  143.0855 C11H11+ 1 143.0855 -0.26
+  145.1016 C11H13+ 1 145.1012 2.88
+  155.0816 C7H11N2O2+ 1 155.0815 0.42
+  157.1337 C8H17N2O+ 1 157.1335 0.8
+  161.0959 C11H13O+ 1 161.0961 -1.48
+  163.1118 C11H15O+ 1 163.1117 0.62
+  167.0822 C8H11N2O2+ 1 167.0815 3.88
+  173.096 C12H13O+ 1 173.0961 -0.38
+  185.1292 C9H17N2O2+ 1 185.1285 3.99
+  195.0762 C9H11N2O3+ 1 195.0764 -0.9
+  196.0606 C9H10NO4+ 1 196.0604 0.83
+  213.0867 C9H13N2O4+ 2 213.087 -1.34
+  218.1534 C14H20NO+ 2 218.1539 -2.71
+  226.1589 CH26N2O10+ 3 226.1582 2.96
+  237.1641 C3H27NO10+ 3 237.1629 4.86
+  246.1486 C15H20NO2+ 4 246.1489 -1.01
+  247.1077 C13H15N2O3+ 1 247.1077 0.03
+  258.1855 C17H24NO+ 3 258.1852 0.91
+  265.1184 C13H17N2O4+ 2 265.1183 0.48
+  329.1864 C5H27N7O9+ 4 329.1865 -0.23
+  397.2081 C18H29N4O6+ 5 397.2082 -0.1
+PK$NUM_PEAK: 32
+PK$PEAK: m/z int. rel.int.
+  105.0699 101517.7 152
+  107.0856 472246.3 710
+  117.0702 37806.1 56
+  124.076 25912.8 38
+  124.112 67632.2 101
+  127.0866 381806.6 574
+  131.0857 60317.2 90
+  135.0805 663928.9 999
+  135.1168 428904.9 645
+  136.0757 327739.9 493
+  138.0549 103463.8 155
+  143.0855 28817.7 43
+  145.1016 26152.9 39
+  155.0816 385649.5 580
+  157.1337 59337.2 89
+  161.0959 49510.5 74
+  163.1118 424969.1 639
+  167.0822 82096.9 123
+  173.096 26718.4 40
+  185.1292 24717 37
+  195.0762 84812.1 127
+  196.0606 23376.6 35
+  213.0867 581258.1 874
+  218.1534 55562.2 83
+  226.1589 69539.2 104
+  237.1641 89411.6 134
+  246.1486 91456.1 137
+  247.1077 54593.7 82
+  258.1855 34533.1 51
+  265.1184 412250.8 620
+  329.1864 31965.2 48
+  397.2081 44608.1 67
+//
diff --git a/Eawag/MSBNK-EAWAG-ED191606.txt b/Eawag/MSBNK-EAWAG-ED191606.txt
new file mode 100644
index 0000000000..01e1d1064f
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED191606.txt
@@ -0,0 +1,111 @@
+ACCESSION: MSBNK-EAWAG-ED191606
+RECORD_TITLE: MC-LY; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.aquatox.2023.106689
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1916
+CH$NAME: MC-LY
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-(4-hydroxybenzyl)-8-isobutyl-18-((1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl)-1,5,12,19-tetramethyl-2-methylene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptaazacyclopentacosane-11,22-dicarboxylic acid
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[(4-hydroxyphenyl)methyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H71N7O13
+CH$EXACT_MASS: 1001.510985
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C52H71N7O13/c1-28(2)24-40-50(67)58-44(52(70)71)32(6)46(63)56-41(26-36-17-19-37(60)20-18-36)49(66)54-38(21-16-29(3)25-30(4)42(72-10)27-35-14-12-11-13-15-35)31(5)45(62)55-39(51(68)69)22-23-43(61)59(9)34(8)48(65)53-33(7)47(64)57-40/h11-21,25,28,30-33,38-42,44,60H,8,22-24,26-27H2,1-7,9-10H3,(H,53,65)(H,54,66)(H,55,62)(H,56,63)(H,57,64)(H,58,67)(H,68,69)(H,70,71)/b21-16+,29-25+/t30-,31-,32-,33+,38-,39+,40-,41-,42-,44+/m0/s1
+CH$LINK: CAS 123304-10-9
+CH$LINK: PUBCHEM CID:71312414
+CH$LINK: INCHIKEY SIGQAYSWORHPPH-WSTSHCHISA-N
+CH$LINK: CHEMSPIDER 22905963
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 104-1044
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.600 min
+MS$FOCUSED_ION: BASE_PEAK 132.9582
+MS$FOCUSED_ION: PRECURSOR_M/Z 1002.5183
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-052r-0910000000-eebe54601d466c45e9d2
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  105.0699 C8H9+ 1 105.0699 0.2
+  107.0856 C8H11+ 1 107.0855 0.71
+  110.0605 C6H8NO+ 1 110.06 3.9
+  117.0697 C9H9+ 1 117.0699 -1.09
+  119.0856 C9H11+ 1 119.0855 0.22
+  124.076 C7H10NO+ 1 124.0757 2.75
+  127.0866 C6H11N2O+ 1 127.0866 0.37
+  130.0504 C5H8NO3+ 1 130.0499 4.04
+  131.0853 C10H11+ 1 131.0855 -2.04
+  133.1016 C10H13+ 1 133.1012 3.16
+  135.0805 C9H11O+ 1 135.0804 0.59
+  135.1168 C10H15+ 1 135.1168 -0.26
+  136.0757 C8H10NO+ 1 136.0757 0.39
+  138.0549 C7H8NO2+ 1 138.055 -0.1
+  145.1013 C11H13+ 1 145.1012 0.88
+  146.0599 C9H8NO+ 1 146.06 -1.04
+  146.0967 C10H12N+ 1 146.0964 1.72
+  149.0712 C8H9N2O+ 1 149.0709 1.9
+  155.0815 C7H11N2O2+ 1 155.0815 -0.07
+  157.133 C8H17N2O+ 1 157.1335 -3.38
+  161.0967 C11H13O+ 1 161.0961 3.54
+  162.1275 C11H16N+ 1 162.1277 -1.21
+  163.1119 C11H15O+ 1 163.1117 0.9
+  167.0818 C8H11N2O2+ 1 167.0815 1.78
+  171.1174 C13H15+ 1 171.1168 3.6
+  195.0763 C9H11N2O3+ 1 195.0764 -0.43
+  195.117 C15H15+ 2 195.1168 0.81
+  213.0868 C9H13N2O4+ 1 213.087 -0.7
+  219.1135 C12H15N2O2+ 1 219.1128 3.25
+  226.1592 CH26N2O10+ 3 226.1582 4.58
+  237.1641 C3H27NO10+ 3 237.1629 4.92
+  248.0913 C13H14NO4+ 2 248.0917 -1.79
+  265.1185 C13H17N2O4+ 2 265.1183 0.71
+PK$NUM_PEAK: 33
+PK$PEAK: m/z int. rel.int.
+  105.0699 191901.6 310
+  107.0856 616877 999
+  110.0605 27050.1 43
+  117.0697 78342.1 126
+  119.0856 40111.7 64
+  124.076 29935.1 48
+  127.0866 589553.4 954
+  130.0504 38855.1 62
+  131.0853 52157 84
+  133.1016 18199.2 29
+  135.0805 598392.1 969
+  135.1168 448575.6 726
+  136.0757 499789.3 809
+  138.0549 123652 200
+  145.1013 39864.6 64
+  146.0599 15822.9 25
+  146.0967 23649.4 38
+  149.0712 29647.6 48
+  155.0815 272088.8 440
+  157.133 39776.8 64
+  161.0967 26379.3 42
+  162.1275 14428.6 23
+  163.1119 222419.4 360
+  167.0818 171668.2 278
+  171.1174 12831.6 20
+  195.0763 109165.8 176
+  195.117 22156 35
+  213.0868 364407.7 590
+  219.1135 31802.4 51
+  226.1592 33467.5 54
+  237.1641 29079.3 47
+  248.0913 35921.1 58
+  265.1185 142095 230
+//
diff --git a/Eawag/MSBNK-EAWAG-ED191607.txt b/Eawag/MSBNK-EAWAG-ED191607.txt
new file mode 100644
index 0000000000..c9b10d0b89
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED191607.txt
@@ -0,0 +1,95 @@
+ACCESSION: MSBNK-EAWAG-ED191607
+RECORD_TITLE: MC-LY; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.aquatox.2023.106689
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1916
+CH$NAME: MC-LY
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-(4-hydroxybenzyl)-8-isobutyl-18-((1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl)-1,5,12,19-tetramethyl-2-methylene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptaazacyclopentacosane-11,22-dicarboxylic acid
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[(4-hydroxyphenyl)methyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H71N7O13
+CH$EXACT_MASS: 1001.510985
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C52H71N7O13/c1-28(2)24-40-50(67)58-44(52(70)71)32(6)46(63)56-41(26-36-17-19-37(60)20-18-36)49(66)54-38(21-16-29(3)25-30(4)42(72-10)27-35-14-12-11-13-15-35)31(5)45(62)55-39(51(68)69)22-23-43(61)59(9)34(8)48(65)53-33(7)47(64)57-40/h11-21,25,28,30-33,38-42,44,60H,8,22-24,26-27H2,1-7,9-10H3,(H,53,65)(H,54,66)(H,55,62)(H,56,63)(H,57,64)(H,58,67)(H,68,69)(H,70,71)/b21-16+,29-25+/t30-,31-,32-,33+,38-,39+,40-,41-,42-,44+/m0/s1
+CH$LINK: CAS 123304-10-9
+CH$LINK: PUBCHEM CID:71312414
+CH$LINK: INCHIKEY SIGQAYSWORHPPH-WSTSHCHISA-N
+CH$LINK: CHEMSPIDER 22905963
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 104-1044
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.600 min
+MS$FOCUSED_ION: BASE_PEAK 132.9582
+MS$FOCUSED_ION: PRECURSOR_M/Z 1002.5183
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0550-0900000000-11d93b4005e0ce11d51f
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  105.0699 C8H9+ 1 105.0699 -0.01
+  107.0856 C8H11+ 1 107.0855 0.64
+  109.0652 C7H9O+ 1 109.0648 3.35
+  113.0236 C5H5O3+ 1 113.0233 2.31
+  117.07 C9H9+ 1 117.0699 1.19
+  119.0495 C8H7O+ 1 119.0491 2.73
+  119.0858 C9H11+ 1 119.0855 2.01
+  127.0866 C6H11N2O+ 1 127.0866 0.31
+  131.0861 C10H11+ 1 131.0855 4.36
+  133.1015 C10H13+ 1 133.1012 2.59
+  135.0804 C9H11O+ 1 135.0804 0.03
+  135.1168 C10H15+ 1 135.1168 -0.38
+  136.0757 C8H10NO+ 1 136.0757 -0.05
+  138.055 C7H8NO2+ 1 138.055 0.12
+  143.0856 C11H11+ 1 143.0855 0.81
+  145.1013 C11H13+ 1 145.1012 0.78
+  146.0604 C9H8NO+ 1 146.06 2.72
+  149.071 C8H9N2O+ 1 149.0709 0.46
+  155.0815 C7H11N2O2+ 1 155.0815 0.03
+  162.0921 C10H12NO+ 1 162.0913 4.58
+  163.1119 C11H15O+ 1 163.1117 1.27
+  167.0815 C8H11N2O2+ 1 167.0815 0.23
+  195.0765 C9H11N2O3+ 1 195.0764 0.67
+  213.0866 C9H13N2O4+ 2 213.087 -1.91
+  226.1588 CH26N2O10+ 3 226.1582 2.76
+PK$NUM_PEAK: 25
+PK$PEAK: m/z int. rel.int.
+  105.0699 271371.8 376
+  107.0856 720657.4 999
+  109.0652 18433.3 25
+  113.0236 16848.3 23
+  117.07 104510.4 144
+  119.0495 48150 66
+  119.0858 31172.4 43
+  127.0866 637816.9 884
+  131.0861 50070.5 69
+  133.1015 33495.3 46
+  135.0804 385023.2 533
+  135.1168 352467.8 488
+  136.0757 493264.4 683
+  138.055 87231.1 120
+  143.0856 30288 41
+  145.1013 41946.4 58
+  146.0604 33342.7 46
+  149.071 41562.4 57
+  155.0815 132908.2 184
+  162.0921 25407.1 35
+  163.1119 95991.9 133
+  167.0815 196580.5 272
+  195.0765 91231.9 126
+  213.0866 165863.5 229
+  226.1588 22988.5 31
+//
diff --git a/Eawag/MSBNK-EAWAG-ED191608.txt b/Eawag/MSBNK-EAWAG-ED191608.txt
new file mode 100644
index 0000000000..bd656b3e7f
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED191608.txt
@@ -0,0 +1,85 @@
+ACCESSION: MSBNK-EAWAG-ED191608
+RECORD_TITLE: MC-LY; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.aquatox.2023.106689
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1916
+CH$NAME: MC-LY
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-(4-hydroxybenzyl)-8-isobutyl-18-((1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl)-1,5,12,19-tetramethyl-2-methylene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptaazacyclopentacosane-11,22-dicarboxylic acid
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[(4-hydroxyphenyl)methyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H71N7O13
+CH$EXACT_MASS: 1001.510985
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C52H71N7O13/c1-28(2)24-40-50(67)58-44(52(70)71)32(6)46(63)56-41(26-36-17-19-37(60)20-18-36)49(66)54-38(21-16-29(3)25-30(4)42(72-10)27-35-14-12-11-13-15-35)31(5)45(62)55-39(51(68)69)22-23-43(61)59(9)34(8)48(65)53-33(7)47(64)57-40/h11-21,25,28,30-33,38-42,44,60H,8,22-24,26-27H2,1-7,9-10H3,(H,53,65)(H,54,66)(H,55,62)(H,56,63)(H,57,64)(H,58,67)(H,68,69)(H,70,71)/b21-16+,29-25+/t30-,31-,32-,33+,38-,39+,40-,41-,42-,44+/m0/s1
+CH$LINK: CAS 123304-10-9
+CH$LINK: PUBCHEM CID:71312414
+CH$LINK: INCHIKEY SIGQAYSWORHPPH-WSTSHCHISA-N
+CH$LINK: CHEMSPIDER 22905963
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 104-1044
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.600 min
+MS$FOCUSED_ION: BASE_PEAK 132.9582
+MS$FOCUSED_ION: PRECURSOR_M/Z 1002.5183
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0a70-0900000000-1ca3aa5ea867e285c19c
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  105.0699 C8H9+ 1 105.0699 0.06
+  107.0856 C8H11+ 1 107.0855 0.35
+  109.0652 C7H9O+ 1 109.0648 3.84
+  110.0602 C6H8NO+ 1 110.06 1.05
+  113.0234 C5H5O3+ 1 113.0233 0.42
+  117.0699 C9H9+ 1 117.0699 0.08
+  119.0495 C8H7O+ 1 119.0491 3.18
+  121.0763 C7H9N2+ 1 121.076 2.45
+  127.0866 C6H11N2O+ 1 127.0866 0.13
+  128.0621 C10H8+ 1 128.0621 0
+  129.07 C10H9+ 1 129.0699 0.75
+  135.0805 C9H11O+ 1 135.0804 0.48
+  135.1166 C10H15+ 1 135.1168 -1.62
+  136.0757 C8H10NO+ 1 136.0757 0.06
+  145.1015 C11H13+ 1 145.1012 2.46
+  146.0963 C10H12N+ 1 146.0964 -1.1
+  149.0707 C8H9N2O+ 1 149.0709 -1.38
+  155.0816 C7H11N2O2+ 1 155.0815 0.81
+  167.0815 C8H11N2O2+ 1 167.0815 -0.04
+  213.087 C9H13N2O4+ 1 213.087 0.02
+PK$NUM_PEAK: 20
+PK$PEAK: m/z int. rel.int.
+  105.0699 300639.8 421
+  107.0856 711786.4 999
+  109.0652 31488 44
+  110.0602 45216.4 63
+  113.0234 42078.9 59
+  117.0699 114925.7 161
+  119.0495 82237.1 115
+  121.0763 29552.7 41
+  127.0866 573263.4 804
+  128.0621 21595.5 30
+  129.07 31353.6 44
+  135.0805 217545 305
+  135.1166 196709.8 276
+  136.0757 383172.6 537
+  145.1015 24140.5 33
+  146.0963 20552.1 28
+  149.0707 47842.2 67
+  155.0816 56797.5 79
+  167.0815 158116.8 221
+  213.087 71739.8 100
+//
diff --git a/Eawag/MSBNK-EAWAG-ED191609.txt b/Eawag/MSBNK-EAWAG-ED191609.txt
new file mode 100644
index 0000000000..5f39186f1e
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED191609.txt
@@ -0,0 +1,77 @@
+ACCESSION: MSBNK-EAWAG-ED191609
+RECORD_TITLE: MC-LY; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.aquatox.2023.106689
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1916
+CH$NAME: MC-LY
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-(4-hydroxybenzyl)-8-isobutyl-18-((1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl)-1,5,12,19-tetramethyl-2-methylene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptaazacyclopentacosane-11,22-dicarboxylic acid
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[(4-hydroxyphenyl)methyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H71N7O13
+CH$EXACT_MASS: 1001.510985
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C52H71N7O13/c1-28(2)24-40-50(67)58-44(52(70)71)32(6)46(63)56-41(26-36-17-19-37(60)20-18-36)49(66)54-38(21-16-29(3)25-30(4)42(72-10)27-35-14-12-11-13-15-35)31(5)45(62)55-39(51(68)69)22-23-43(61)59(9)34(8)48(65)53-33(7)47(64)57-40/h11-21,25,28,30-33,38-42,44,60H,8,22-24,26-27H2,1-7,9-10H3,(H,53,65)(H,54,66)(H,55,62)(H,56,63)(H,57,64)(H,58,67)(H,68,69)(H,70,71)/b21-16+,29-25+/t30-,31-,32-,33+,38-,39+,40-,41-,42-,44+/m0/s1
+CH$LINK: CAS 123304-10-9
+CH$LINK: PUBCHEM CID:71312414
+CH$LINK: INCHIKEY SIGQAYSWORHPPH-WSTSHCHISA-N
+CH$LINK: CHEMSPIDER 22905963
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 104-1044
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.600 min
+MS$FOCUSED_ION: BASE_PEAK 132.9582
+MS$FOCUSED_ION: PRECURSOR_M/Z 1002.5183
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0a4r-0900000000-ba19c5905c9f7aaf9690
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  105.0699 C8H9+ 1 105.0699 0.5
+  107.0856 C8H11+ 1 107.0855 0.57
+  109.0648 C7H9O+ 1 109.0648 -0.29
+  115.0543 C9H7+ 1 115.0542 0.84
+  117.0698 C9H9+ 1 117.0699 -1.02
+  119.0494 C8H7O+ 1 119.0491 2.41
+  121.0764 C7H9N2+ 1 121.076 3.2
+  127.0866 C6H11N2O+ 1 127.0866 0.19
+  131.0855 C10H11+ 1 131.0855 -0.06
+  135.0803 C9H11O+ 1 135.0804 -0.76
+  135.1168 C10H15+ 1 135.1168 0.08
+  136.0757 C8H10NO+ 1 136.0757 0.17
+  145.1016 C11H13+ 1 145.1012 2.77
+  146.0605 C9H8NO+ 1 146.06 2.93
+  149.0709 C8H9N2O+ 1 149.0709 -0.15
+  167.0815 C8H11N2O2+ 1 167.0815 -0.13
+PK$NUM_PEAK: 16
+PK$PEAK: m/z int. rel.int.
+  105.0699 324711.4 609
+  107.0856 532574.1 999
+  109.0648 44664.6 83
+  115.0543 60704.7 113
+  117.0698 86216.1 161
+  119.0494 98578 184
+  121.0764 51104.3 95
+  127.0866 415999.9 780
+  131.0855 45139.8 84
+  135.0803 105192.1 197
+  135.1168 83202.7 156
+  136.0757 246712.8 462
+  145.1016 13976.9 26
+  146.0605 30825.6 57
+  149.0709 42752.5 80
+  167.0815 96734.4 181
+//
diff --git a/Eawag/MSBNK-EAWAG-ED191651.txt b/Eawag/MSBNK-EAWAG-ED191651.txt
new file mode 100644
index 0000000000..399f09fd30
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED191651.txt
@@ -0,0 +1,49 @@
+ACCESSION: MSBNK-EAWAG-ED191651
+RECORD_TITLE: MC-LY; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.aquatox.2023.106689
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1916
+CH$NAME: MC-LY
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-(4-hydroxybenzyl)-8-isobutyl-18-((1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl)-1,5,12,19-tetramethyl-2-methylene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptaazacyclopentacosane-11,22-dicarboxylic acid
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[(4-hydroxyphenyl)methyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H71N7O13
+CH$EXACT_MASS: 1001.510985
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C52H71N7O13/c1-28(2)24-40-50(67)58-44(52(70)71)32(6)46(63)56-41(26-36-17-19-37(60)20-18-36)49(66)54-38(21-16-29(3)25-30(4)42(72-10)27-35-14-12-11-13-15-35)31(5)45(62)55-39(51(68)69)22-23-43(61)59(9)34(8)48(65)53-33(7)47(64)57-40/h11-21,25,28,30-33,38-42,44,60H,8,22-24,26-27H2,1-7,9-10H3,(H,53,65)(H,54,66)(H,55,62)(H,56,63)(H,57,64)(H,58,67)(H,68,69)(H,70,71)/b21-16+,29-25+/t30-,31-,32-,33+,38-,39+,40-,41-,42-,44+/m0/s1
+CH$LINK: CAS 123304-10-9
+CH$LINK: PUBCHEM CID:71312414
+CH$LINK: INCHIKEY SIGQAYSWORHPPH-WSTSHCHISA-N
+CH$LINK: CHEMSPIDER 22905963
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 104-1042
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.587 min
+MS$FOCUSED_ION: BASE_PEAK 1000.5046
+MS$FOCUSED_ION: PRECURSOR_M/Z 1000.5037
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0udi-9000000000-1d3424a1a2a2a26338a9
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  982.4941 C52H68N7O12- 1 982.4931 0.92
+  1000.5047 C52H70N7O13- 1 1000.5037 0.98
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  982.4941 428402.9 21
+  1000.5047 20060810 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED191652.txt b/Eawag/MSBNK-EAWAG-ED191652.txt
new file mode 100644
index 0000000000..f939579310
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED191652.txt
@@ -0,0 +1,53 @@
+ACCESSION: MSBNK-EAWAG-ED191652
+RECORD_TITLE: MC-LY; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.aquatox.2023.106689
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1916
+CH$NAME: MC-LY
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-(4-hydroxybenzyl)-8-isobutyl-18-((1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl)-1,5,12,19-tetramethyl-2-methylene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptaazacyclopentacosane-11,22-dicarboxylic acid
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[(4-hydroxyphenyl)methyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H71N7O13
+CH$EXACT_MASS: 1001.510985
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C52H71N7O13/c1-28(2)24-40-50(67)58-44(52(70)71)32(6)46(63)56-41(26-36-17-19-37(60)20-18-36)49(66)54-38(21-16-29(3)25-30(4)42(72-10)27-35-14-12-11-13-15-35)31(5)45(62)55-39(51(68)69)22-23-43(61)59(9)34(8)48(65)53-33(7)47(64)57-40/h11-21,25,28,30-33,38-42,44,60H,8,22-24,26-27H2,1-7,9-10H3,(H,53,65)(H,54,66)(H,55,62)(H,56,63)(H,57,64)(H,58,67)(H,68,69)(H,70,71)/b21-16+,29-25+/t30-,31-,32-,33+,38-,39+,40-,41-,42-,44+/m0/s1
+CH$LINK: CAS 123304-10-9
+CH$LINK: PUBCHEM CID:71312414
+CH$LINK: INCHIKEY SIGQAYSWORHPPH-WSTSHCHISA-N
+CH$LINK: CHEMSPIDER 22905963
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 104-1042
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.587 min
+MS$FOCUSED_ION: BASE_PEAK 1000.5046
+MS$FOCUSED_ION: PRECURSOR_M/Z 1000.5037
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0udi-9000000001-1785dbb46d4bb880fb9b
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  109.1672 H21N4O2- 1 109.167 2.07
+  982.4931 C52H68N7O12- 1 982.4931 -0.07
+  983.4971 C52H69N7O12- 1 983.501 -3.93
+  1000.5041 C52H70N7O13- 1 1000.5037 0.37
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  109.1672 162710.3 10
+  982.4931 3135080.2 202
+  983.4971 238697.8 15
+  1000.5041 15484140 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED191653.txt b/Eawag/MSBNK-EAWAG-ED191653.txt
new file mode 100644
index 0000000000..222e904a77
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED191653.txt
@@ -0,0 +1,55 @@
+ACCESSION: MSBNK-EAWAG-ED191653
+RECORD_TITLE: MC-LY; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.aquatox.2023.106689
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1916
+CH$NAME: MC-LY
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-(4-hydroxybenzyl)-8-isobutyl-18-((1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl)-1,5,12,19-tetramethyl-2-methylene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptaazacyclopentacosane-11,22-dicarboxylic acid
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[(4-hydroxyphenyl)methyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H71N7O13
+CH$EXACT_MASS: 1001.510985
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C52H71N7O13/c1-28(2)24-40-50(67)58-44(52(70)71)32(6)46(63)56-41(26-36-17-19-37(60)20-18-36)49(66)54-38(21-16-29(3)25-30(4)42(72-10)27-35-14-12-11-13-15-35)31(5)45(62)55-39(51(68)69)22-23-43(61)59(9)34(8)48(65)53-33(7)47(64)57-40/h11-21,25,28,30-33,38-42,44,60H,8,22-24,26-27H2,1-7,9-10H3,(H,53,65)(H,54,66)(H,55,62)(H,56,63)(H,57,64)(H,58,67)(H,68,69)(H,70,71)/b21-16+,29-25+/t30-,31-,32-,33+,38-,39+,40-,41-,42-,44+/m0/s1
+CH$LINK: CAS 123304-10-9
+CH$LINK: PUBCHEM CID:71312414
+CH$LINK: INCHIKEY SIGQAYSWORHPPH-WSTSHCHISA-N
+CH$LINK: CHEMSPIDER 22905963
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 104-1042
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.587 min
+MS$FOCUSED_ION: BASE_PEAK 1000.5046
+MS$FOCUSED_ION: PRECURSOR_M/Z 1000.5037
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0f89-7000000009-64723eef20f0667f54ea
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  109.1672 H21N4O2- 1 109.167 2.2
+  128.0352 C5H6NO3- 1 128.0353 -1.29
+  956.5164 C51H70N7O11- 1 956.5139 2.6
+  982.4929 C52H68N7O12- 1 982.4931 -0.26
+  1000.5038 C52H70N7O13- 1 1000.5037 0.06
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  109.1672 485334.5 50
+  128.0352 138827.7 14
+  956.5164 182389.7 18
+  982.4929 9692988 999
+  1000.5038 7943029 818
+//
diff --git a/Eawag/MSBNK-EAWAG-ED191654.txt b/Eawag/MSBNK-EAWAG-ED191654.txt
new file mode 100644
index 0000000000..9e90945a43
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED191654.txt
@@ -0,0 +1,61 @@
+ACCESSION: MSBNK-EAWAG-ED191654
+RECORD_TITLE: MC-LY; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.aquatox.2023.106689
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1916
+CH$NAME: MC-LY
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-(4-hydroxybenzyl)-8-isobutyl-18-((1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl)-1,5,12,19-tetramethyl-2-methylene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptaazacyclopentacosane-11,22-dicarboxylic acid
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[(4-hydroxyphenyl)methyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H71N7O13
+CH$EXACT_MASS: 1001.510985
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C52H71N7O13/c1-28(2)24-40-50(67)58-44(52(70)71)32(6)46(63)56-41(26-36-17-19-37(60)20-18-36)49(66)54-38(21-16-29(3)25-30(4)42(72-10)27-35-14-12-11-13-15-35)31(5)45(62)55-39(51(68)69)22-23-43(61)59(9)34(8)48(65)53-33(7)47(64)57-40/h11-21,25,28,30-33,38-42,44,60H,8,22-24,26-27H2,1-7,9-10H3,(H,53,65)(H,54,66)(H,55,62)(H,56,63)(H,57,64)(H,58,67)(H,68,69)(H,70,71)/b21-16+,29-25+/t30-,31-,32-,33+,38-,39+,40-,41-,42-,44+/m0/s1
+CH$LINK: CAS 123304-10-9
+CH$LINK: PUBCHEM CID:71312414
+CH$LINK: INCHIKEY SIGQAYSWORHPPH-WSTSHCHISA-N
+CH$LINK: CHEMSPIDER 22905963
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 104-1042
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.587 min
+MS$FOCUSED_ION: BASE_PEAK 1000.5046
+MS$FOCUSED_ION: PRECURSOR_M/Z 1000.5037
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-001i-1100000009-6335fa5ec050feab6091
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  109.1673 H21N4O2- 1 109.167 2.48
+  128.0352 C5H6NO3- 1 128.0353 -0.69
+  265.1662 C12H25O6- 4 265.1657 2.16
+  283.1768 C12H27O7- 3 283.1762 1.91
+  587.2757 C34H39N2O7- 6 587.2763 -1.05
+  956.5136 C51H70N7O11- 1 956.5139 -0.27
+  982.493 C52H68N7O12- 1 982.4931 -0.13
+  1000.5044 C52H70N7O13- 1 1000.5037 0.73
+PK$NUM_PEAK: 8
+PK$PEAK: m/z int. rel.int.
+  109.1673 416979.7 50
+  128.0352 1090518.6 132
+  265.1662 128534.5 15
+  283.1768 457288.2 55
+  587.2757 283904.2 34
+  956.5136 291815.4 35
+  982.493 8222136.5 999
+  1000.5044 1222181.2 148
+//
diff --git a/Eawag/MSBNK-EAWAG-ED191655.txt b/Eawag/MSBNK-EAWAG-ED191655.txt
new file mode 100644
index 0000000000..e2c41f4a8f
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED191655.txt
@@ -0,0 +1,109 @@
+ACCESSION: MSBNK-EAWAG-ED191655
+RECORD_TITLE: MC-LY; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.aquatox.2023.106689
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1916
+CH$NAME: MC-LY
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-(4-hydroxybenzyl)-8-isobutyl-18-((1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl)-1,5,12,19-tetramethyl-2-methylene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptaazacyclopentacosane-11,22-dicarboxylic acid
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[(4-hydroxyphenyl)methyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H71N7O13
+CH$EXACT_MASS: 1001.510985
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C52H71N7O13/c1-28(2)24-40-50(67)58-44(52(70)71)32(6)46(63)56-41(26-36-17-19-37(60)20-18-36)49(66)54-38(21-16-29(3)25-30(4)42(72-10)27-35-14-12-11-13-15-35)31(5)45(62)55-39(51(68)69)22-23-43(61)59(9)34(8)48(65)53-33(7)47(64)57-40/h11-21,25,28,30-33,38-42,44,60H,8,22-24,26-27H2,1-7,9-10H3,(H,53,65)(H,54,66)(H,55,62)(H,56,63)(H,57,64)(H,58,67)(H,68,69)(H,70,71)/b21-16+,29-25+/t30-,31-,32-,33+,38-,39+,40-,41-,42-,44+/m0/s1
+CH$LINK: CAS 123304-10-9
+CH$LINK: PUBCHEM CID:71312414
+CH$LINK: INCHIKEY SIGQAYSWORHPPH-WSTSHCHISA-N
+CH$LINK: CHEMSPIDER 22905963
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 104-1042
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.587 min
+MS$FOCUSED_ION: BASE_PEAK 1000.5046
+MS$FOCUSED_ION: PRECURSOR_M/Z 1000.5037
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-004i-0920000000-c378de8485c52b4c85c1
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  110.0247 C5H4NO2- 1 110.0248 -0.29
+  112.0405 C5H6NO2- 1 112.0404 0.69
+  119.0502 C8H7O- 1 119.0502 -0.32
+  124.0403 C6H6NO2- 1 124.0404 -0.54
+  127.0511 C5H7N2O2- 1 127.0513 -1.3
+  128.0353 C5H6NO3- 1 128.0353 -0.45
+  129.1032 C6H13N2O- 1 129.1033 -0.82
+  130.0507 C5H8NO3- 1 130.051 -2.02
+  131.0867 C10H11- 1 131.0866 0.41
+  138.0559 C7H8NO2- 1 138.0561 -1.45
+  139.0876 C7H11N2O- 1 139.0877 -0.75
+  141.0664 C6H9N2O2- 1 141.067 -4.25
+  153.0667 C7H9N2O2- 1 153.067 -1.74
+  155.0823 C7H11N2O2- 1 155.0826 -1.95
+  162.0556 C9H8NO2- 1 162.0561 -3.06
+  165.1029 C9H13N2O- 1 165.1033 -2.91
+  167.0819 C8H11N2O2- 2 167.0826 -4.48
+  181.0614 C8H9N2O3- 2 181.0619 -2.69
+  182.1293 C9H16N3O- 2 182.1299 -3.11
+  183.1134 C9H15N2O2- 2 183.1139 -2.9
+  184.0608 C8H10NO4- 2 184.0615 -3.82
+  200.1399 C9H18N3O2- 2 200.1405 -2.93
+  205.0611 C10H9N2O3- 2 205.0619 -3.69
+  212.14 C10H18N3O2- 2 212.1405 -2.09
+  222.1241 C11H16N3O2- 2 222.1248 -2.97
+  226.119 C10H16N3O3- 2 226.1197 -3.17
+  240.1351 C11H18N3O3- 2 240.1354 -1.19
+  281.1649 C3H27N3O11- 4 281.1651 -0.64
+  283.1769 C12H27O7- 3 283.1762 2.34
+  312.1973 C6H28N6O8- 4 312.1974 -0.42
+  313.1819 C8H29N2O10- 3 313.1828 -2.69
+  982.4963 C52H68N7O12- 1 982.4931 3.22
+PK$NUM_PEAK: 32
+PK$PEAK: m/z int. rel.int.
+  110.0247 357880.7 173
+  112.0405 56279.8 27
+  119.0502 109515.6 52
+  124.0403 251541.1 121
+  127.0511 64046.6 30
+  128.0353 2066265.5 999
+  129.1032 95167.4 46
+  130.0507 43388.2 20
+  131.0867 61028.8 29
+  138.0559 25398.5 12
+  139.0876 96790 46
+  141.0664 42660.5 20
+  153.0667 193621 93
+  155.0823 103404.5 49
+  162.0556 135292.2 65
+  165.1029 169340 81
+  167.0819 69954.8 33
+  181.0614 58736.7 28
+  182.1293 91957 44
+  183.1134 30548.6 14
+  184.0608 60884.1 29
+  200.1399 303388.5 146
+  205.0611 26843.4 12
+  212.14 50412.7 24
+  222.1241 39919.2 19
+  226.119 97485.5 47
+  240.1351 53733.9 25
+  281.1649 35794.3 17
+  283.1769 699579.4 338
+  312.1973 40680.9 19
+  313.1819 108317.6 52
+  982.4963 170696.3 82
+//
diff --git a/Eawag/MSBNK-EAWAG-ED191656.txt b/Eawag/MSBNK-EAWAG-ED191656.txt
new file mode 100644
index 0000000000..006fff12cb
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED191656.txt
@@ -0,0 +1,99 @@
+ACCESSION: MSBNK-EAWAG-ED191656
+RECORD_TITLE: MC-LY; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.aquatox.2023.106689
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1916
+CH$NAME: MC-LY
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-(4-hydroxybenzyl)-8-isobutyl-18-((1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl)-1,5,12,19-tetramethyl-2-methylene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptaazacyclopentacosane-11,22-dicarboxylic acid
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[(4-hydroxyphenyl)methyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H71N7O13
+CH$EXACT_MASS: 1001.510985
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C52H71N7O13/c1-28(2)24-40-50(67)58-44(52(70)71)32(6)46(63)56-41(26-36-17-19-37(60)20-18-36)49(66)54-38(21-16-29(3)25-30(4)42(72-10)27-35-14-12-11-13-15-35)31(5)45(62)55-39(51(68)69)22-23-43(61)59(9)34(8)48(65)53-33(7)47(64)57-40/h11-21,25,28,30-33,38-42,44,60H,8,22-24,26-27H2,1-7,9-10H3,(H,53,65)(H,54,66)(H,55,62)(H,56,63)(H,57,64)(H,58,67)(H,68,69)(H,70,71)/b21-16+,29-25+/t30-,31-,32-,33+,38-,39+,40-,41-,42-,44+/m0/s1
+CH$LINK: CAS 123304-10-9
+CH$LINK: PUBCHEM CID:71312414
+CH$LINK: INCHIKEY SIGQAYSWORHPPH-WSTSHCHISA-N
+CH$LINK: CHEMSPIDER 22905963
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 104-1042
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.587 min
+MS$FOCUSED_ION: BASE_PEAK 1000.5046
+MS$FOCUSED_ION: PRECURSOR_M/Z 1000.5037
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00or-0920000000-1e10c78e3a594725fedd
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  110.0247 C5H4NO2- 1 110.0248 -0.22
+  112.0402 C5H6NO2- 1 112.0404 -1.9
+  113.0355 C4H5N2O2- 1 113.0357 -1.67
+  119.0501 C8H7O- 1 119.0502 -1.47
+  123.0561 C6H7N2O- 1 123.0564 -1.97
+  124.0402 C6H6NO2- 1 124.0404 -1.34
+  127.0879 C6H11N2O- 1 127.0877 1.64
+  128.0352 C5H6NO3- 1 128.0353 -0.93
+  129.1033 C6H13N2O- 1 129.1033 -0.35
+  131.0865 C10H11- 1 131.0866 -0.87
+  139.0875 C7H11N2O- 1 139.0877 -1.41
+  153.0666 C7H9N2O2- 1 153.067 -2.44
+  155.0821 C7H11N2O2- 1 155.0826 -3.03
+  162.0557 C9H8NO2- 1 162.0561 -2.4
+  165.1028 C9H13N2O- 2 165.1033 -3.28
+  167.0821 C8H11N2O2- 1 167.0826 -2.74
+  170.0926 C5H10N6O- 1 170.0922 2.58
+  180.114 C9H14N3O- 1 180.1142 -1.07
+  182.1293 C9H16N3O- 2 182.1299 -3.02
+  183.114 C9H15N2O2- 1 183.1139 0.68
+  198.1242 C9H16N3O2- 2 198.1248 -3.13
+  200.1398 C9H18N3O2- 2 200.1405 -3.08
+  208.1095 C10H14N3O2- 2 208.1092 1.57
+  211.0716 C7H9N5O3- 2 211.0711 2.29
+  212.1403 C10H18N3O2- 1 212.1405 -0.94
+  265.1663 C12H25O6- 4 265.1657 2.39
+  283.1769 C12H27O7- 3 283.1762 2.34
+PK$NUM_PEAK: 27
+PK$PEAK: m/z int. rel.int.
+  110.0247 352400.2 288
+  112.0402 75665 61
+  113.0355 33796.9 27
+  119.0501 141368.2 115
+  123.0561 83317 68
+  124.0402 254036.1 207
+  127.0879 22210 18
+  128.0352 1220391.4 999
+  129.1033 214249.5 175
+  131.0865 63231.2 51
+  139.0875 162345.9 132
+  153.0666 190682.5 156
+  155.0821 109902.5 89
+  162.0557 119039.7 97
+  165.1028 276921.4 226
+  167.0821 65888.9 53
+  170.0926 62191.2 50
+  180.114 138822.4 113
+  182.1293 267323.6 218
+  183.114 53770.3 44
+  198.1242 67868 55
+  200.1398 269635.2 220
+  208.1095 42346.6 34
+  211.0716 29869.6 24
+  212.1403 28125.8 23
+  265.1663 586496.7 480
+  283.1769 162697.3 133
+//
diff --git a/Eawag/MSBNK-EAWAG-ED191657.txt b/Eawag/MSBNK-EAWAG-ED191657.txt
new file mode 100644
index 0000000000..a828478797
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED191657.txt
@@ -0,0 +1,95 @@
+ACCESSION: MSBNK-EAWAG-ED191657
+RECORD_TITLE: MC-LY; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.aquatox.2023.106689
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1916
+CH$NAME: MC-LY
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-(4-hydroxybenzyl)-8-isobutyl-18-((1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl)-1,5,12,19-tetramethyl-2-methylene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptaazacyclopentacosane-11,22-dicarboxylic acid
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[(4-hydroxyphenyl)methyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H71N7O13
+CH$EXACT_MASS: 1001.510985
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C52H71N7O13/c1-28(2)24-40-50(67)58-44(52(70)71)32(6)46(63)56-41(26-36-17-19-37(60)20-18-36)49(66)54-38(21-16-29(3)25-30(4)42(72-10)27-35-14-12-11-13-15-35)31(5)45(62)55-39(51(68)69)22-23-43(61)59(9)34(8)48(65)53-33(7)47(64)57-40/h11-21,25,28,30-33,38-42,44,60H,8,22-24,26-27H2,1-7,9-10H3,(H,53,65)(H,54,66)(H,55,62)(H,56,63)(H,57,64)(H,58,67)(H,68,69)(H,70,71)/b21-16+,29-25+/t30-,31-,32-,33+,38-,39+,40-,41-,42-,44+/m0/s1
+CH$LINK: CAS 123304-10-9
+CH$LINK: PUBCHEM CID:71312414
+CH$LINK: INCHIKEY SIGQAYSWORHPPH-WSTSHCHISA-N
+CH$LINK: CHEMSPIDER 22905963
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 104-1042
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.587 min
+MS$FOCUSED_ION: BASE_PEAK 1000.5046
+MS$FOCUSED_ION: PRECURSOR_M/Z 1000.5037
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-004i-0900000000-86e13e106ff0d5f9ce1a
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  109.0407 C5H5N2O- 1 109.0407 0.08
+  110.0248 C5H4NO2- 1 110.0248 0.06
+  111.0197 C4H3N2O2- 1 111.02 -2.69
+  111.0564 C5H7N2O- 1 111.0564 0.46
+  112.0405 C5H6NO2- 1 112.0404 0.62
+  112.0768 C6H10NO- 1 112.0768 0.21
+  119.0502 C8H7O- 1 119.0502 -0.51
+  123.0564 C6H7N2O- 1 123.0564 -0.11
+  124.0404 C6H6NO2- 1 124.0404 -0.11
+  125.0719 C6H9N2O- 1 125.072 -1.48
+  127.0511 C5H7N2O2- 1 127.0513 -1.54
+  128.0353 C5H6NO3- 1 128.0353 -0.45
+  129.1033 C6H13N2O- 1 129.1033 -0.35
+  138.0433 C6H6N2O2- 1 138.0435 -1.2
+  139.0875 C7H11N2O- 1 139.0877 -1.08
+  150.0558 C8H8NO2- 1 150.0561 -1.49
+  153.0665 C7H9N2O2- 1 153.067 -2.64
+  155.0826 C7H11N2O2- 1 155.0826 0.12
+  162.0559 C9H8NO2- 1 162.0561 -0.7
+  165.103 C9H13N2O- 1 165.1033 -1.89
+  167.0823 C8H11N2O2- 1 167.0826 -1.55
+  180.1136 C9H14N3O- 2 180.1142 -3.44
+  183.113 C9H15N2O2- 2 183.1139 -4.9
+  198.1243 C9H16N3O2- 2 198.1248 -2.52
+  200.1397 C9H18N3O2- 2 200.1405 -3.85
+PK$NUM_PEAK: 25
+PK$PEAK: m/z int. rel.int.
+  109.0407 29245.1 38
+  110.0248 293804.6 391
+  111.0197 13507.9 17
+  111.0564 25774.3 34
+  112.0405 69499.7 92
+  112.0768 20123.2 26
+  119.0502 160072 213
+  123.0564 65606.2 87
+  124.0404 216917.1 288
+  125.0719 34827.2 46
+  127.0511 59024.4 78
+  128.0353 750419.4 999
+  129.1033 219461.8 292
+  138.0433 29228.7 38
+  139.0875 125250.5 166
+  150.0558 54684.9 72
+  153.0665 114526.5 152
+  155.0826 75278.3 100
+  162.0559 103027.1 137
+  165.103 210764.6 280
+  167.0823 39732.7 52
+  180.1136 143326.1 190
+  183.113 48489.1 64
+  198.1243 44418.9 59
+  200.1397 159596.2 212
+//
diff --git a/Eawag/MSBNK-EAWAG-ED191658.txt b/Eawag/MSBNK-EAWAG-ED191658.txt
new file mode 100644
index 0000000000..3dd6231198
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED191658.txt
@@ -0,0 +1,87 @@
+ACCESSION: MSBNK-EAWAG-ED191658
+RECORD_TITLE: MC-LY; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.1016/j.aquatox.2023.106689
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1916
+CH$NAME: MC-LY
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-(4-hydroxybenzyl)-8-isobutyl-18-((1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl)-1,5,12,19-tetramethyl-2-methylene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptaazacyclopentacosane-11,22-dicarboxylic acid
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[(4-hydroxyphenyl)methyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H71N7O13
+CH$EXACT_MASS: 1001.510985
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C52H71N7O13/c1-28(2)24-40-50(67)58-44(52(70)71)32(6)46(63)56-41(26-36-17-19-37(60)20-18-36)49(66)54-38(21-16-29(3)25-30(4)42(72-10)27-35-14-12-11-13-15-35)31(5)45(62)55-39(51(68)69)22-23-43(61)59(9)34(8)48(65)53-33(7)47(64)57-40/h11-21,25,28,30-33,38-42,44,60H,8,22-24,26-27H2,1-7,9-10H3,(H,53,65)(H,54,66)(H,55,62)(H,56,63)(H,57,64)(H,58,67)(H,68,69)(H,70,71)/b21-16+,29-25+/t30-,31-,32-,33+,38-,39+,40-,41-,42-,44+/m0/s1
+CH$LINK: CAS 123304-10-9
+CH$LINK: PUBCHEM CID:71312414
+CH$LINK: INCHIKEY SIGQAYSWORHPPH-WSTSHCHISA-N
+CH$LINK: CHEMSPIDER 22905963
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 104-1042
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.587 min
+MS$FOCUSED_ION: BASE_PEAK 1000.5046
+MS$FOCUSED_ION: PRECURSOR_M/Z 1000.5037
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0059-0900000000-3695337252c183a08eb4
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  109.0408 C5H5N2O- 1 109.0407 0.29
+  110.0248 C5H4NO2- 1 110.0248 0.12
+  111.0198 C4H3N2O2- 1 111.02 -2
+  112.0404 C5H6NO2- 1 112.0404 0.35
+  113.0358 C4H5N2O2- 1 113.0357 1.43
+  119.0501 C8H7O- 1 119.0502 -1.22
+  123.0559 C6H7N2O- 1 123.0564 -4.26
+  124.0403 C6H6NO2- 1 124.0404 -0.66
+  127.0513 C5H7N2O2- 1 127.0513 -0.28
+  128.0353 C5H6NO3- 1 128.0353 -0.45
+  129.1032 C6H13N2O- 1 129.1033 -0.7
+  138.0436 C6H6N2O2- 1 138.0435 0.79
+  139.0878 C7H11N2O- 1 139.0877 0.46
+  150.0557 C8H8NO2- 1 150.0561 -2.31
+  155.1188 C8H15N2O- 1 155.119 -0.92
+  162.0557 C9H8NO2- 1 162.0561 -2.4
+  165.1029 C9H13N2O- 1 165.1033 -2.63
+  167.0822 C8H11N2O2- 1 167.0826 -2.65
+  180.1138 C9H14N3O- 2 180.1142 -2.51
+  182.1294 C9H16N3O- 2 182.1299 -2.94
+  183.1138 C9H15N2O2- 1 183.1139 -0.49
+PK$NUM_PEAK: 21
+PK$PEAK: m/z int. rel.int.
+  109.0408 34146.2 84
+  110.0248 241759.8 598
+  111.0198 15901.4 39
+  112.0404 56041.3 138
+  113.0358 34963.9 86
+  119.0501 149879.4 371
+  123.0559 42273 104
+  124.0403 147628.6 365
+  127.0513 57697.7 142
+  128.0353 403544.5 999
+  129.1032 183831.6 455
+  138.0436 28798.6 71
+  139.0878 87136.8 215
+  150.0557 50817.1 125
+  155.1188 29008.5 71
+  162.0557 52637.2 130
+  165.1029 157369 389
+  167.0822 21813 53
+  180.1138 99364.6 245
+  182.1294 288090.1 713
+  183.1138 19674.7 48
+//
diff --git a/Eawag/MSBNK-EAWAG-ED194701.txt b/Eawag/MSBNK-EAWAG-ED194701.txt
new file mode 100644
index 0000000000..a53b47574a
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED194701.txt
@@ -0,0 +1,45 @@
+ACCESSION: MSBNK-EAWAG-ED194701
+RECORD_TITLE: [Dha7]MC-(H4)YR (and isomers); LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 3
+COMMENT: CyanoMetDB_ID 1947
+CH$NAME: [Dha7]MC-(H4)YR (and isomers)
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-(3-guanidinopropyl)-8-(((1S,4R)-4-hydroxycyclohex-2-en-1-yl)methyl)-18-((1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl)-5,12,19-trimethyl-2-methylene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptaazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C51H74N10O13
+CH$EXACT_MASS: 1034.543682
+CH$SMILES: O=C(CC[C@@H](NC([C@H]([C@@H](NC([C@@H](NC([C@H]([C@@H](NC([C@H](C[C@]1(C=C[C@@H](CC1)O)[H])N2)=O)C(O)=O)C)=O)CCCNC(N)=N)=O)/C=C/C(C)=C/[C@@H]([C@H](CC3=CC=CC=C3)OC)C)C)=O)C(O)=O)NC(C(N[C@H](C)C2=O)=O)=C
+CH$IUPAC: InChI=1S/C51H74N10O13/c1-27(24-28(2)40(74-7)26-33-12-9-8-10-13-33)15-20-36-29(3)43(64)59-38(49(70)71)21-22-41(63)55-31(5)45(66)56-32(6)46(67)60-39(25-34-16-18-35(62)19-17-34)48(69)61-42(50(72)73)30(4)44(65)58-37(47(68)57-36)14-11-23-54-51(52)53/h8-10,12-13,15-16,18,20,24,28-30,32,34-40,42,62H,5,11,14,17,19,21-23,25-26H2,1-4,6-7H3,(H,55,63)(H,56,66)(H,57,68)(H,58,65)(H,59,64)(H,60,67)(H,61,69)(H,70,71)(H,72,73)(H4,52,53,54)/b20-15+,27-24+/t28-,29-,30-,32+,34-,35-,36-,37-,38+,39-,40-,42+/m0/s1
+CH$LINK: PUBCHEM CID:146684735
+CH$LINK: INCHIKEY TUAADMHCVHCCPV-UIBXFZKZSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 107-1077
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.504 min
+MS$FOCUSED_ION: BASE_PEAK 498.2813
+MS$FOCUSED_ION: PRECURSOR_M/Z 1035.551
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-000i-9000000000-dea8cfcfa276d0e08715
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  115.0627 C5H9NO2+ 1 115.0628 -0.56
+  1035.5498 C51H75N10O13+ 1 1035.551 -1.08
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  115.0627 230320 50
+  1035.5498 4531761.5 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED194702.txt b/Eawag/MSBNK-EAWAG-ED194702.txt
new file mode 100644
index 0000000000..690e3a3730
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED194702.txt
@@ -0,0 +1,47 @@
+ACCESSION: MSBNK-EAWAG-ED194702
+RECORD_TITLE: [Dha7]MC-(H4)YR (and isomers); LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 3
+COMMENT: CyanoMetDB_ID 1947
+CH$NAME: [Dha7]MC-(H4)YR (and isomers)
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-(3-guanidinopropyl)-8-(((1S,4R)-4-hydroxycyclohex-2-en-1-yl)methyl)-18-((1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl)-5,12,19-trimethyl-2-methylene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptaazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C51H74N10O13
+CH$EXACT_MASS: 1034.543682
+CH$SMILES: O=C(CC[C@@H](NC([C@H]([C@@H](NC([C@@H](NC([C@H]([C@@H](NC([C@H](C[C@]1(C=C[C@@H](CC1)O)[H])N2)=O)C(O)=O)C)=O)CCCNC(N)=N)=O)/C=C/C(C)=C/[C@@H]([C@H](CC3=CC=CC=C3)OC)C)C)=O)C(O)=O)NC(C(N[C@H](C)C2=O)=O)=C
+CH$IUPAC: InChI=1S/C51H74N10O13/c1-27(24-28(2)40(74-7)26-33-12-9-8-10-13-33)15-20-36-29(3)43(64)59-38(49(70)71)21-22-41(63)55-31(5)45(66)56-32(6)46(67)60-39(25-34-16-18-35(62)19-17-34)48(69)61-42(50(72)73)30(4)44(65)58-37(47(68)57-36)14-11-23-54-51(52)53/h8-10,12-13,15-16,18,20,24,28-30,32,34-40,42,62H,5,11,14,17,19,21-23,25-26H2,1-4,6-7H3,(H,55,63)(H,56,66)(H,57,68)(H,58,65)(H,59,64)(H,60,67)(H,61,69)(H,70,71)(H,72,73)(H4,52,53,54)/b20-15+,27-24+/t28-,29-,30-,32+,34-,35-,36-,37-,38+,39-,40-,42+/m0/s1
+CH$LINK: PUBCHEM CID:146684735
+CH$LINK: INCHIKEY TUAADMHCVHCCPV-UIBXFZKZSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 107-1077
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.504 min
+MS$FOCUSED_ION: BASE_PEAK 498.2813
+MS$FOCUSED_ION: PRECURSOR_M/Z 1035.551
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-000i-9000000000-2f96cac32ee7d44fcf70
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  115.0629 C5H9NO2+ 1 115.0628 0.83
+  1017.5417 C51H73N10O12+ 1 1017.5404 1.24
+  1035.5508 C51H75N10O13+ 1 1035.551 -0.13
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  115.0629 193686.5 51
+  1017.5417 403330 106
+  1035.5508 3791137.5 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED194703.txt b/Eawag/MSBNK-EAWAG-ED194703.txt
new file mode 100644
index 0000000000..5959d83f2d
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED194703.txt
@@ -0,0 +1,47 @@
+ACCESSION: MSBNK-EAWAG-ED194703
+RECORD_TITLE: [Dha7]MC-(H4)YR (and isomers); LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 3
+COMMENT: CyanoMetDB_ID 1947
+CH$NAME: [Dha7]MC-(H4)YR (and isomers)
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-(3-guanidinopropyl)-8-(((1S,4R)-4-hydroxycyclohex-2-en-1-yl)methyl)-18-((1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl)-5,12,19-trimethyl-2-methylene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptaazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C51H74N10O13
+CH$EXACT_MASS: 1034.543682
+CH$SMILES: O=C(CC[C@@H](NC([C@H]([C@@H](NC([C@@H](NC([C@H]([C@@H](NC([C@H](C[C@]1(C=C[C@@H](CC1)O)[H])N2)=O)C(O)=O)C)=O)CCCNC(N)=N)=O)/C=C/C(C)=C/[C@@H]([C@H](CC3=CC=CC=C3)OC)C)C)=O)C(O)=O)NC(C(N[C@H](C)C2=O)=O)=C
+CH$IUPAC: InChI=1S/C51H74N10O13/c1-27(24-28(2)40(74-7)26-33-12-9-8-10-13-33)15-20-36-29(3)43(64)59-38(49(70)71)21-22-41(63)55-31(5)45(66)56-32(6)46(67)60-39(25-34-16-18-35(62)19-17-34)48(69)61-42(50(72)73)30(4)44(65)58-37(47(68)57-36)14-11-23-54-51(52)53/h8-10,12-13,15-16,18,20,24,28-30,32,34-40,42,62H,5,11,14,17,19,21-23,25-26H2,1-4,6-7H3,(H,55,63)(H,56,66)(H,57,68)(H,58,65)(H,59,64)(H,60,67)(H,61,69)(H,70,71)(H,72,73)(H4,52,53,54)/b20-15+,27-24+/t28-,29-,30-,32+,34-,35-,36-,37-,38+,39-,40-,42+/m0/s1
+CH$LINK: PUBCHEM CID:146684735
+CH$LINK: INCHIKEY TUAADMHCVHCCPV-UIBXFZKZSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 107-1077
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.504 min
+MS$FOCUSED_ION: BASE_PEAK 498.2813
+MS$FOCUSED_ION: PRECURSOR_M/Z 1035.551
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-000i-9000000000-0fb79114ba95994651d3
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  115.0629 C5H9NO2+ 1 115.0628 0.7
+  1017.5405 C51H73N10O12+ 1 1017.5404 0.1
+  1035.5509 C51H75N10O13+ 1 1035.551 -0.02
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  115.0629 120558.4 48
+  1017.5405 1195239 478
+  1035.5509 2494364.8 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED194704.txt b/Eawag/MSBNK-EAWAG-ED194704.txt
new file mode 100644
index 0000000000..e4437d0299
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED194704.txt
@@ -0,0 +1,51 @@
+ACCESSION: MSBNK-EAWAG-ED194704
+RECORD_TITLE: [Dha7]MC-(H4)YR (and isomers); LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 3
+COMMENT: CyanoMetDB_ID 1947
+CH$NAME: [Dha7]MC-(H4)YR (and isomers)
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-(3-guanidinopropyl)-8-(((1S,4R)-4-hydroxycyclohex-2-en-1-yl)methyl)-18-((1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl)-5,12,19-trimethyl-2-methylene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptaazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C51H74N10O13
+CH$EXACT_MASS: 1034.543682
+CH$SMILES: O=C(CC[C@@H](NC([C@H]([C@@H](NC([C@@H](NC([C@H]([C@@H](NC([C@H](C[C@]1(C=C[C@@H](CC1)O)[H])N2)=O)C(O)=O)C)=O)CCCNC(N)=N)=O)/C=C/C(C)=C/[C@@H]([C@H](CC3=CC=CC=C3)OC)C)C)=O)C(O)=O)NC(C(N[C@H](C)C2=O)=O)=C
+CH$IUPAC: InChI=1S/C51H74N10O13/c1-27(24-28(2)40(74-7)26-33-12-9-8-10-13-33)15-20-36-29(3)43(64)59-38(49(70)71)21-22-41(63)55-31(5)45(66)56-32(6)46(67)60-39(25-34-16-18-35(62)19-17-34)48(69)61-42(50(72)73)30(4)44(65)58-37(47(68)57-36)14-11-23-54-51(52)53/h8-10,12-13,15-16,18,20,24,28-30,32,34-40,42,62H,5,11,14,17,19,21-23,25-26H2,1-4,6-7H3,(H,55,63)(H,56,66)(H,57,68)(H,58,65)(H,59,64)(H,60,67)(H,61,69)(H,70,71)(H,72,73)(H4,52,53,54)/b20-15+,27-24+/t28-,29-,30-,32+,34-,35-,36-,37-,38+,39-,40-,42+/m0/s1
+CH$LINK: PUBCHEM CID:146684735
+CH$LINK: INCHIKEY TUAADMHCVHCCPV-UIBXFZKZSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 107-1077
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.504 min
+MS$FOCUSED_ION: BASE_PEAK 498.2813
+MS$FOCUSED_ION: PRECURSOR_M/Z 1035.551
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00kr-9000000000-86bc91eda42ab6efd90d
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  115.0628 C5H9NO2+ 1 115.0628 0.17
+  150.0912 C9H12NO+ 1 150.0913 -0.65
+  420.1915 C24H26N3O4+ 6 420.1918 -0.75
+  1017.5408 C51H73N10O12+ 1 1017.5404 0.4
+  1035.5513 C51H75N10O13+ 1 1035.551 0.34
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  115.0628 55478.6 49
+  150.0912 123323.6 109
+  420.1915 176158.1 156
+  1017.5408 1061233.9 942
+  1035.5513 1125378 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED194705.txt b/Eawag/MSBNK-EAWAG-ED194705.txt
new file mode 100644
index 0000000000..502e82f59e
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED194705.txt
@@ -0,0 +1,59 @@
+ACCESSION: MSBNK-EAWAG-ED194705
+RECORD_TITLE: [Dha7]MC-(H4)YR (and isomers); LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 3
+COMMENT: CyanoMetDB_ID 1947
+CH$NAME: [Dha7]MC-(H4)YR (and isomers)
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-(3-guanidinopropyl)-8-(((1S,4R)-4-hydroxycyclohex-2-en-1-yl)methyl)-18-((1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl)-5,12,19-trimethyl-2-methylene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptaazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C51H74N10O13
+CH$EXACT_MASS: 1034.543682
+CH$SMILES: O=C(CC[C@@H](NC([C@H]([C@@H](NC([C@@H](NC([C@H]([C@@H](NC([C@H](C[C@]1(C=C[C@@H](CC1)O)[H])N2)=O)C(O)=O)C)=O)CCCNC(N)=N)=O)/C=C/C(C)=C/[C@@H]([C@H](CC3=CC=CC=C3)OC)C)C)=O)C(O)=O)NC(C(N[C@H](C)C2=O)=O)=C
+CH$IUPAC: InChI=1S/C51H74N10O13/c1-27(24-28(2)40(74-7)26-33-12-9-8-10-13-33)15-20-36-29(3)43(64)59-38(49(70)71)21-22-41(63)55-31(5)45(66)56-32(6)46(67)60-39(25-34-16-18-35(62)19-17-34)48(69)61-42(50(72)73)30(4)44(65)58-37(47(68)57-36)14-11-23-54-51(52)53/h8-10,12-13,15-16,18,20,24,28-30,32,34-40,42,62H,5,11,14,17,19,21-23,25-26H2,1-4,6-7H3,(H,55,63)(H,56,66)(H,57,68)(H,58,65)(H,59,64)(H,60,67)(H,61,69)(H,70,71)(H,72,73)(H4,52,53,54)/b20-15+,27-24+/t28-,29-,30-,32+,34-,35-,36-,37-,38+,39-,40-,42+/m0/s1
+CH$LINK: PUBCHEM CID:146684735
+CH$LINK: INCHIKEY TUAADMHCVHCCPV-UIBXFZKZSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 107-1077
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.504 min
+MS$FOCUSED_ION: BASE_PEAK 498.2813
+MS$FOCUSED_ION: PRECURSOR_M/Z 1035.551
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0udi-0920000000-93f7d881fe4b8048208b
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  112.0867 C5H10N3+ 1 112.0869 -2.05
+  113.0708 C5H9N2O+ 1 113.0709 -1.63
+  120.0807 C8H10N+ 1 120.0808 -0.42
+  138.0662 C6H8N3O+ 1 138.0662 -0.23
+  150.0912 C9H12NO+ 1 150.0913 -0.65
+  187.1233 C12H15N2+ 1 187.123 1.5
+  215.1176 C11H13N5+ 3 215.1165 4.87
+  243.1122 C14H15N2O2+ 4 243.1128 -2.64
+  308.1284 C5H20N6O9+ 4 308.1286 -0.72
+PK$NUM_PEAK: 9
+PK$PEAK: m/z int. rel.int.
+  112.0867 65221.2 192
+  113.0708 51066.8 150
+  120.0807 78300.2 230
+  138.0662 31114.2 91
+  150.0912 339272.9 999
+  187.1233 32068.1 94
+  215.1176 103328.8 304
+  243.1122 78334.2 230
+  308.1284 51747.8 152
+//
diff --git a/Eawag/MSBNK-EAWAG-ED194706.txt b/Eawag/MSBNK-EAWAG-ED194706.txt
new file mode 100644
index 0000000000..173df6afcc
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED194706.txt
@@ -0,0 +1,57 @@
+ACCESSION: MSBNK-EAWAG-ED194706
+RECORD_TITLE: [Dha7]MC-(H4)YR (and isomers); LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 3
+COMMENT: CyanoMetDB_ID 1947
+CH$NAME: [Dha7]MC-(H4)YR (and isomers)
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-(3-guanidinopropyl)-8-(((1S,4R)-4-hydroxycyclohex-2-en-1-yl)methyl)-18-((1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl)-5,12,19-trimethyl-2-methylene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptaazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C51H74N10O13
+CH$EXACT_MASS: 1034.543682
+CH$SMILES: O=C(CC[C@@H](NC([C@H]([C@@H](NC([C@@H](NC([C@H]([C@@H](NC([C@H](C[C@]1(C=C[C@@H](CC1)O)[H])N2)=O)C(O)=O)C)=O)CCCNC(N)=N)=O)/C=C/C(C)=C/[C@@H]([C@H](CC3=CC=CC=C3)OC)C)C)=O)C(O)=O)NC(C(N[C@H](C)C2=O)=O)=C
+CH$IUPAC: InChI=1S/C51H74N10O13/c1-27(24-28(2)40(74-7)26-33-12-9-8-10-13-33)15-20-36-29(3)43(64)59-38(49(70)71)21-22-41(63)55-31(5)45(66)56-32(6)46(67)60-39(25-34-16-18-35(62)19-17-34)48(69)61-42(50(72)73)30(4)44(65)58-37(47(68)57-36)14-11-23-54-51(52)53/h8-10,12-13,15-16,18,20,24,28-30,32,34-40,42,62H,5,11,14,17,19,21-23,25-26H2,1-4,6-7H3,(H,55,63)(H,56,66)(H,57,68)(H,58,65)(H,59,64)(H,60,67)(H,61,69)(H,70,71)(H,72,73)(H4,52,53,54)/b20-15+,27-24+/t28-,29-,30-,32+,34-,35-,36-,37-,38+,39-,40-,42+/m0/s1
+CH$LINK: PUBCHEM CID:146684735
+CH$LINK: INCHIKEY TUAADMHCVHCCPV-UIBXFZKZSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 107-1077
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.504 min
+MS$FOCUSED_ION: BASE_PEAK 498.2813
+MS$FOCUSED_ION: PRECURSOR_M/Z 1035.551
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0udi-0900000000-23d08b56dda561654acc
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  112.0869 C5H10N3+ 1 112.0869 -0.62
+  113.0709 C5H9N2O+ 1 113.0709 -0.29
+  115.0869 C5H11N2O+ 1 115.0866 2.44
+  120.0808 C8H10N+ 1 120.0808 0.21
+  150.0911 C9H12NO+ 1 150.0913 -1.36
+  158.0964 C11H12N+ 1 158.0964 -0.04
+  167.0816 C8H11N2O2+ 1 167.0815 0.32
+  215.1172 C11H13N5+ 2 215.1165 3.1
+PK$NUM_PEAK: 8
+PK$PEAK: m/z int. rel.int.
+  112.0869 67140.9 215
+  113.0709 62659.9 200
+  115.0869 26218.6 84
+  120.0808 134914.2 432
+  150.0911 311801.2 999
+  158.0964 30318 97
+  167.0816 33367.8 106
+  215.1172 69621.9 223
+//
diff --git a/Eawag/MSBNK-EAWAG-ED194707.txt b/Eawag/MSBNK-EAWAG-ED194707.txt
new file mode 100644
index 0000000000..626ecd626e
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED194707.txt
@@ -0,0 +1,57 @@
+ACCESSION: MSBNK-EAWAG-ED194707
+RECORD_TITLE: [Dha7]MC-(H4)YR (and isomers); LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 3
+COMMENT: CyanoMetDB_ID 1947
+CH$NAME: [Dha7]MC-(H4)YR (and isomers)
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-(3-guanidinopropyl)-8-(((1S,4R)-4-hydroxycyclohex-2-en-1-yl)methyl)-18-((1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl)-5,12,19-trimethyl-2-methylene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptaazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C51H74N10O13
+CH$EXACT_MASS: 1034.543682
+CH$SMILES: O=C(CC[C@@H](NC([C@H]([C@@H](NC([C@@H](NC([C@H]([C@@H](NC([C@H](C[C@]1(C=C[C@@H](CC1)O)[H])N2)=O)C(O)=O)C)=O)CCCNC(N)=N)=O)/C=C/C(C)=C/[C@@H]([C@H](CC3=CC=CC=C3)OC)C)C)=O)C(O)=O)NC(C(N[C@H](C)C2=O)=O)=C
+CH$IUPAC: InChI=1S/C51H74N10O13/c1-27(24-28(2)40(74-7)26-33-12-9-8-10-13-33)15-20-36-29(3)43(64)59-38(49(70)71)21-22-41(63)55-31(5)45(66)56-32(6)46(67)60-39(25-34-16-18-35(62)19-17-34)48(69)61-42(50(72)73)30(4)44(65)58-37(47(68)57-36)14-11-23-54-51(52)53/h8-10,12-13,15-16,18,20,24,28-30,32,34-40,42,62H,5,11,14,17,19,21-23,25-26H2,1-4,6-7H3,(H,55,63)(H,56,66)(H,57,68)(H,58,65)(H,59,64)(H,60,67)(H,61,69)(H,70,71)(H,72,73)(H4,52,53,54)/b20-15+,27-24+/t28-,29-,30-,32+,34-,35-,36-,37-,38+,39-,40-,42+/m0/s1
+CH$LINK: PUBCHEM CID:146684735
+CH$LINK: INCHIKEY TUAADMHCVHCCPV-UIBXFZKZSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 107-1077
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.504 min
+MS$FOCUSED_ION: BASE_PEAK 498.2813
+MS$FOCUSED_ION: PRECURSOR_M/Z 1035.551
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0uk9-0900000000-c51397a39bb4e379d118
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  112.0868 C5H10N3+ 1 112.0869 -1.37
+  113.0711 C5H9N2O+ 1 113.0709 1.4
+  115.0868 C5H11N2O+ 1 115.0866 1.58
+  120.0807 C8H10N+ 1 120.0808 -0.68
+  121.0651 C8H9O+ 1 121.0648 2.28
+  150.0912 C9H12NO+ 1 150.0913 -1.16
+  158.0965 C11H12N+ 1 158.0964 0.73
+  170.0962 C12H12N+ 1 170.0964 -1.1
+PK$NUM_PEAK: 8
+PK$PEAK: m/z int. rel.int.
+  112.0868 61929.2 258
+  113.0711 31858.8 133
+  115.0868 30850.7 128
+  120.0807 149673.8 625
+  121.0651 23495.9 98
+  150.0912 239199.9 999
+  158.0965 32690.2 136
+  170.0962 48117.1 200
+//
diff --git a/Eawag/MSBNK-EAWAG-ED194801.txt b/Eawag/MSBNK-EAWAG-ED194801.txt
new file mode 100644
index 0000000000..0f56547f24
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED194801.txt
@@ -0,0 +1,46 @@
+ACCESSION: MSBNK-EAWAG-ED194801
+RECORD_TITLE: [D-Asp3]MC-(H4)YR (and isomers); LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 3
+COMMENT: CyanoMetDB_ID 1948
+CH$NAME: [D-Asp3]MC-(H4)YR (and isomers)
+CH$NAME: 15-(3-((diaminomethylene)amino)propyl)-8-((4-hydroxycyclohex-1-en-1-yl)methyl)-18-((1E,3E)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl)-1,5,19-trimethyl-2-methylene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptaazacyclopentacosane-11,22-dicarboxylic acid
+CH$NAME: (5R,8S,11R,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-8-[[(1S,4R)-4-hydroxycyclohex-2-en-1-yl]methyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,19-trimethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C51H74N10O13
+CH$EXACT_MASS: 1034.543682
+CH$SMILES: O=C(CC[C@@H](NC([C@H]([C@@H](NC([C@@H](NC(C[C@@H](NC([C@H](C[C@]1(C=C[C@@H](CC1)O)[H])N2)=O)C(O)=O)=O)CCCNC(N)=N)=O)/C=C/C(C)=C/[C@@H]([C@H](CC3=CC=CC=C3)OC)C)C)=O)C(O)=O)N(C(C(N[C@H](C)C2=O)=O)=C)C
+CH$IUPAC: InChI=1S/C51H74N10O13/c1-28(24-29(2)41(74-7)26-33-12-9-8-10-13-33)15-20-36-30(3)44(65)58-38(49(70)71)21-22-43(64)61(6)32(5)46(67)55-31(4)45(66)59-39(25-34-16-18-35(62)19-17-34)48(69)60-40(50(72)73)27-42(63)56-37(47(68)57-36)14-11-23-54-51(52)53/h8-10,12-13,15-16,18,20,24,29-31,34-41,62H,5,11,14,17,19,21-23,25-27H2,1-4,6-7H3,(H,55,67)(H,56,63)(H,57,68)(H,58,65)(H,59,66)(H,60,69)(H,70,71)(H,72,73)(H4,52,53,54)/b20-15+,28-24+/t29-,30-,31+,34-,35-,36-,37-,38+,39-,40+,41-/m0/s1
+CH$LINK: PUBCHEM CID:155802127
+CH$LINK: INCHIKEY JAXVACFEWWEOKE-NMOCKCCNSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 107-1077
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.504 min
+MS$FOCUSED_ION: BASE_PEAK 498.2813
+MS$FOCUSED_ION: PRECURSOR_M/Z 1035.551
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-000i-9000000000-dea8cfcfa276d0e08715
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  115.0627 C5H9NO2+ 1 115.0628 -0.56
+  1035.5498 C51H75N10O13+ 1 1035.551 -1.08
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  115.0627 230320 50
+  1035.5498 4531761.5 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED194802.txt b/Eawag/MSBNK-EAWAG-ED194802.txt
new file mode 100644
index 0000000000..a2e7f119ab
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED194802.txt
@@ -0,0 +1,48 @@
+ACCESSION: MSBNK-EAWAG-ED194802
+RECORD_TITLE: [D-Asp3]MC-(H4)YR (and isomers); LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 3
+COMMENT: CyanoMetDB_ID 1948
+CH$NAME: [D-Asp3]MC-(H4)YR (and isomers)
+CH$NAME: 15-(3-((diaminomethylene)amino)propyl)-8-((4-hydroxycyclohex-1-en-1-yl)methyl)-18-((1E,3E)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl)-1,5,19-trimethyl-2-methylene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptaazacyclopentacosane-11,22-dicarboxylic acid
+CH$NAME: (5R,8S,11R,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-8-[[(1S,4R)-4-hydroxycyclohex-2-en-1-yl]methyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,19-trimethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C51H74N10O13
+CH$EXACT_MASS: 1034.543682
+CH$SMILES: O=C(CC[C@@H](NC([C@H]([C@@H](NC([C@@H](NC(C[C@@H](NC([C@H](C[C@]1(C=C[C@@H](CC1)O)[H])N2)=O)C(O)=O)=O)CCCNC(N)=N)=O)/C=C/C(C)=C/[C@@H]([C@H](CC3=CC=CC=C3)OC)C)C)=O)C(O)=O)N(C(C(N[C@H](C)C2=O)=O)=C)C
+CH$IUPAC: InChI=1S/C51H74N10O13/c1-28(24-29(2)41(74-7)26-33-12-9-8-10-13-33)15-20-36-30(3)44(65)58-38(49(70)71)21-22-43(64)61(6)32(5)46(67)55-31(4)45(66)59-39(25-34-16-18-35(62)19-17-34)48(69)60-40(50(72)73)27-42(63)56-37(47(68)57-36)14-11-23-54-51(52)53/h8-10,12-13,15-16,18,20,24,29-31,34-41,62H,5,11,14,17,19,21-23,25-27H2,1-4,6-7H3,(H,55,67)(H,56,63)(H,57,68)(H,58,65)(H,59,66)(H,60,69)(H,70,71)(H,72,73)(H4,52,53,54)/b20-15+,28-24+/t29-,30-,31+,34-,35-,36-,37-,38+,39-,40+,41-/m0/s1
+CH$LINK: PUBCHEM CID:155802127
+CH$LINK: INCHIKEY JAXVACFEWWEOKE-NMOCKCCNSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 107-1077
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.504 min
+MS$FOCUSED_ION: BASE_PEAK 498.2813
+MS$FOCUSED_ION: PRECURSOR_M/Z 1035.551
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-000i-9000000000-2f96cac32ee7d44fcf70
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  115.0629 C5H9NO2+ 1 115.0628 0.83
+  1017.5417 C51H73N10O12+ 1 1017.5404 1.24
+  1035.5508 C51H75N10O13+ 1 1035.551 -0.13
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  115.0629 193686.5 51
+  1017.5417 403330 106
+  1035.5508 3791137.5 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED194803.txt b/Eawag/MSBNK-EAWAG-ED194803.txt
new file mode 100644
index 0000000000..179213534e
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED194803.txt
@@ -0,0 +1,48 @@
+ACCESSION: MSBNK-EAWAG-ED194803
+RECORD_TITLE: [D-Asp3]MC-(H4)YR (and isomers); LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 3
+COMMENT: CyanoMetDB_ID 1948
+CH$NAME: [D-Asp3]MC-(H4)YR (and isomers)
+CH$NAME: 15-(3-((diaminomethylene)amino)propyl)-8-((4-hydroxycyclohex-1-en-1-yl)methyl)-18-((1E,3E)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl)-1,5,19-trimethyl-2-methylene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptaazacyclopentacosane-11,22-dicarboxylic acid
+CH$NAME: (5R,8S,11R,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-8-[[(1S,4R)-4-hydroxycyclohex-2-en-1-yl]methyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,19-trimethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C51H74N10O13
+CH$EXACT_MASS: 1034.543682
+CH$SMILES: O=C(CC[C@@H](NC([C@H]([C@@H](NC([C@@H](NC(C[C@@H](NC([C@H](C[C@]1(C=C[C@@H](CC1)O)[H])N2)=O)C(O)=O)=O)CCCNC(N)=N)=O)/C=C/C(C)=C/[C@@H]([C@H](CC3=CC=CC=C3)OC)C)C)=O)C(O)=O)N(C(C(N[C@H](C)C2=O)=O)=C)C
+CH$IUPAC: InChI=1S/C51H74N10O13/c1-28(24-29(2)41(74-7)26-33-12-9-8-10-13-33)15-20-36-30(3)44(65)58-38(49(70)71)21-22-43(64)61(6)32(5)46(67)55-31(4)45(66)59-39(25-34-16-18-35(62)19-17-34)48(69)60-40(50(72)73)27-42(63)56-37(47(68)57-36)14-11-23-54-51(52)53/h8-10,12-13,15-16,18,20,24,29-31,34-41,62H,5,11,14,17,19,21-23,25-27H2,1-4,6-7H3,(H,55,67)(H,56,63)(H,57,68)(H,58,65)(H,59,66)(H,60,69)(H,70,71)(H,72,73)(H4,52,53,54)/b20-15+,28-24+/t29-,30-,31+,34-,35-,36-,37-,38+,39-,40+,41-/m0/s1
+CH$LINK: PUBCHEM CID:155802127
+CH$LINK: INCHIKEY JAXVACFEWWEOKE-NMOCKCCNSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 107-1077
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.504 min
+MS$FOCUSED_ION: BASE_PEAK 498.2813
+MS$FOCUSED_ION: PRECURSOR_M/Z 1035.551
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-000i-9000000000-0fb79114ba95994651d3
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  115.0629 C5H9NO2+ 1 115.0628 0.7
+  1017.5405 C51H73N10O12+ 1 1017.5404 0.1
+  1035.5509 C51H75N10O13+ 1 1035.551 -0.02
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  115.0629 120558.4 48
+  1017.5405 1195239 478
+  1035.5509 2494364.8 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED194804.txt b/Eawag/MSBNK-EAWAG-ED194804.txt
new file mode 100644
index 0000000000..def0249a8b
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED194804.txt
@@ -0,0 +1,52 @@
+ACCESSION: MSBNK-EAWAG-ED194804
+RECORD_TITLE: [D-Asp3]MC-(H4)YR (and isomers); LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 3
+COMMENT: CyanoMetDB_ID 1948
+CH$NAME: [D-Asp3]MC-(H4)YR (and isomers)
+CH$NAME: 15-(3-((diaminomethylene)amino)propyl)-8-((4-hydroxycyclohex-1-en-1-yl)methyl)-18-((1E,3E)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl)-1,5,19-trimethyl-2-methylene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptaazacyclopentacosane-11,22-dicarboxylic acid
+CH$NAME: (5R,8S,11R,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-8-[[(1S,4R)-4-hydroxycyclohex-2-en-1-yl]methyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,19-trimethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C51H74N10O13
+CH$EXACT_MASS: 1034.543682
+CH$SMILES: O=C(CC[C@@H](NC([C@H]([C@@H](NC([C@@H](NC(C[C@@H](NC([C@H](C[C@]1(C=C[C@@H](CC1)O)[H])N2)=O)C(O)=O)=O)CCCNC(N)=N)=O)/C=C/C(C)=C/[C@@H]([C@H](CC3=CC=CC=C3)OC)C)C)=O)C(O)=O)N(C(C(N[C@H](C)C2=O)=O)=C)C
+CH$IUPAC: InChI=1S/C51H74N10O13/c1-28(24-29(2)41(74-7)26-33-12-9-8-10-13-33)15-20-36-30(3)44(65)58-38(49(70)71)21-22-43(64)61(6)32(5)46(67)55-31(4)45(66)59-39(25-34-16-18-35(62)19-17-34)48(69)60-40(50(72)73)27-42(63)56-37(47(68)57-36)14-11-23-54-51(52)53/h8-10,12-13,15-16,18,20,24,29-31,34-41,62H,5,11,14,17,19,21-23,25-27H2,1-4,6-7H3,(H,55,67)(H,56,63)(H,57,68)(H,58,65)(H,59,66)(H,60,69)(H,70,71)(H,72,73)(H4,52,53,54)/b20-15+,28-24+/t29-,30-,31+,34-,35-,36-,37-,38+,39-,40+,41-/m0/s1
+CH$LINK: PUBCHEM CID:155802127
+CH$LINK: INCHIKEY JAXVACFEWWEOKE-NMOCKCCNSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 107-1077
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.504 min
+MS$FOCUSED_ION: BASE_PEAK 498.2813
+MS$FOCUSED_ION: PRECURSOR_M/Z 1035.551
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00kr-9000000000-86bc91eda42ab6efd90d
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  115.0628 C5H9NO2+ 1 115.0628 0.17
+  150.0912 C9H12NO+ 1 150.0913 -0.65
+  420.1915 C24H26N3O4+ 6 420.1918 -0.75
+  1017.5408 C51H73N10O12+ 1 1017.5404 0.4
+  1035.5513 C51H75N10O13+ 1 1035.551 0.34
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  115.0628 55478.6 49
+  150.0912 123323.6 109
+  420.1915 176158.1 156
+  1017.5408 1061233.9 942
+  1035.5513 1125378 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED194805.txt b/Eawag/MSBNK-EAWAG-ED194805.txt
new file mode 100644
index 0000000000..7f4e74654b
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED194805.txt
@@ -0,0 +1,60 @@
+ACCESSION: MSBNK-EAWAG-ED194805
+RECORD_TITLE: [D-Asp3]MC-(H4)YR (and isomers); LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 3
+COMMENT: CyanoMetDB_ID 1948
+CH$NAME: [D-Asp3]MC-(H4)YR (and isomers)
+CH$NAME: 15-(3-((diaminomethylene)amino)propyl)-8-((4-hydroxycyclohex-1-en-1-yl)methyl)-18-((1E,3E)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl)-1,5,19-trimethyl-2-methylene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptaazacyclopentacosane-11,22-dicarboxylic acid
+CH$NAME: (5R,8S,11R,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-8-[[(1S,4R)-4-hydroxycyclohex-2-en-1-yl]methyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,19-trimethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C51H74N10O13
+CH$EXACT_MASS: 1034.543682
+CH$SMILES: O=C(CC[C@@H](NC([C@H]([C@@H](NC([C@@H](NC(C[C@@H](NC([C@H](C[C@]1(C=C[C@@H](CC1)O)[H])N2)=O)C(O)=O)=O)CCCNC(N)=N)=O)/C=C/C(C)=C/[C@@H]([C@H](CC3=CC=CC=C3)OC)C)C)=O)C(O)=O)N(C(C(N[C@H](C)C2=O)=O)=C)C
+CH$IUPAC: InChI=1S/C51H74N10O13/c1-28(24-29(2)41(74-7)26-33-12-9-8-10-13-33)15-20-36-30(3)44(65)58-38(49(70)71)21-22-43(64)61(6)32(5)46(67)55-31(4)45(66)59-39(25-34-16-18-35(62)19-17-34)48(69)60-40(50(72)73)27-42(63)56-37(47(68)57-36)14-11-23-54-51(52)53/h8-10,12-13,15-16,18,20,24,29-31,34-41,62H,5,11,14,17,19,21-23,25-27H2,1-4,6-7H3,(H,55,67)(H,56,63)(H,57,68)(H,58,65)(H,59,66)(H,60,69)(H,70,71)(H,72,73)(H4,52,53,54)/b20-15+,28-24+/t29-,30-,31+,34-,35-,36-,37-,38+,39-,40+,41-/m0/s1
+CH$LINK: PUBCHEM CID:155802127
+CH$LINK: INCHIKEY JAXVACFEWWEOKE-NMOCKCCNSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 107-1077
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.504 min
+MS$FOCUSED_ION: BASE_PEAK 498.2813
+MS$FOCUSED_ION: PRECURSOR_M/Z 1035.551
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0udi-0920000000-93f7d881fe4b8048208b
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  112.0867 C5H10N3+ 1 112.0869 -2.05
+  113.0708 C5H9N2O+ 1 113.0709 -1.63
+  120.0807 C8H10N+ 1 120.0808 -0.42
+  138.0662 C6H8N3O+ 1 138.0662 -0.23
+  150.0912 C9H12NO+ 1 150.0913 -0.65
+  187.1233 C12H15N2+ 1 187.123 1.5
+  215.1176 C11H13N5+ 3 215.1165 4.87
+  243.1122 C14H15N2O2+ 4 243.1128 -2.64
+  308.1284 C5H20N6O9+ 4 308.1286 -0.72
+PK$NUM_PEAK: 9
+PK$PEAK: m/z int. rel.int.
+  112.0867 65221.2 192
+  113.0708 51066.8 150
+  120.0807 78300.2 230
+  138.0662 31114.2 91
+  150.0912 339272.9 999
+  187.1233 32068.1 94
+  215.1176 103328.8 304
+  243.1122 78334.2 230
+  308.1284 51747.8 152
+//
diff --git a/Eawag/MSBNK-EAWAG-ED194806.txt b/Eawag/MSBNK-EAWAG-ED194806.txt
new file mode 100644
index 0000000000..2546e38de7
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED194806.txt
@@ -0,0 +1,58 @@
+ACCESSION: MSBNK-EAWAG-ED194806
+RECORD_TITLE: [D-Asp3]MC-(H4)YR (and isomers); LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 3
+COMMENT: CyanoMetDB_ID 1948
+CH$NAME: [D-Asp3]MC-(H4)YR (and isomers)
+CH$NAME: 15-(3-((diaminomethylene)amino)propyl)-8-((4-hydroxycyclohex-1-en-1-yl)methyl)-18-((1E,3E)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl)-1,5,19-trimethyl-2-methylene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptaazacyclopentacosane-11,22-dicarboxylic acid
+CH$NAME: (5R,8S,11R,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-8-[[(1S,4R)-4-hydroxycyclohex-2-en-1-yl]methyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,19-trimethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C51H74N10O13
+CH$EXACT_MASS: 1034.543682
+CH$SMILES: O=C(CC[C@@H](NC([C@H]([C@@H](NC([C@@H](NC(C[C@@H](NC([C@H](C[C@]1(C=C[C@@H](CC1)O)[H])N2)=O)C(O)=O)=O)CCCNC(N)=N)=O)/C=C/C(C)=C/[C@@H]([C@H](CC3=CC=CC=C3)OC)C)C)=O)C(O)=O)N(C(C(N[C@H](C)C2=O)=O)=C)C
+CH$IUPAC: InChI=1S/C51H74N10O13/c1-28(24-29(2)41(74-7)26-33-12-9-8-10-13-33)15-20-36-30(3)44(65)58-38(49(70)71)21-22-43(64)61(6)32(5)46(67)55-31(4)45(66)59-39(25-34-16-18-35(62)19-17-34)48(69)60-40(50(72)73)27-42(63)56-37(47(68)57-36)14-11-23-54-51(52)53/h8-10,12-13,15-16,18,20,24,29-31,34-41,62H,5,11,14,17,19,21-23,25-27H2,1-4,6-7H3,(H,55,67)(H,56,63)(H,57,68)(H,58,65)(H,59,66)(H,60,69)(H,70,71)(H,72,73)(H4,52,53,54)/b20-15+,28-24+/t29-,30-,31+,34-,35-,36-,37-,38+,39-,40+,41-/m0/s1
+CH$LINK: PUBCHEM CID:155802127
+CH$LINK: INCHIKEY JAXVACFEWWEOKE-NMOCKCCNSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 107-1077
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.504 min
+MS$FOCUSED_ION: BASE_PEAK 498.2813
+MS$FOCUSED_ION: PRECURSOR_M/Z 1035.551
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0udi-0900000000-23d08b56dda561654acc
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  112.0869 C5H10N3+ 1 112.0869 -0.62
+  113.0709 C5H9N2O+ 1 113.0709 -0.29
+  115.0869 C5H11N2O+ 1 115.0866 2.44
+  120.0808 C8H10N+ 1 120.0808 0.21
+  150.0911 C9H12NO+ 1 150.0913 -1.36
+  158.0964 C11H12N+ 1 158.0964 -0.04
+  167.0816 C8H11N2O2+ 1 167.0815 0.32
+  215.1172 C11H13N5+ 2 215.1165 3.1
+PK$NUM_PEAK: 8
+PK$PEAK: m/z int. rel.int.
+  112.0869 67140.9 215
+  113.0709 62659.9 200
+  115.0869 26218.6 84
+  120.0808 134914.2 432
+  150.0911 311801.2 999
+  158.0964 30318 97
+  167.0816 33367.8 106
+  215.1172 69621.9 223
+//
diff --git a/Eawag/MSBNK-EAWAG-ED194807.txt b/Eawag/MSBNK-EAWAG-ED194807.txt
new file mode 100644
index 0000000000..6e011d1e25
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED194807.txt
@@ -0,0 +1,58 @@
+ACCESSION: MSBNK-EAWAG-ED194807
+RECORD_TITLE: [D-Asp3]MC-(H4)YR (and isomers); LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 3
+COMMENT: CyanoMetDB_ID 1948
+CH$NAME: [D-Asp3]MC-(H4)YR (and isomers)
+CH$NAME: 15-(3-((diaminomethylene)amino)propyl)-8-((4-hydroxycyclohex-1-en-1-yl)methyl)-18-((1E,3E)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl)-1,5,19-trimethyl-2-methylene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptaazacyclopentacosane-11,22-dicarboxylic acid
+CH$NAME: (5R,8S,11R,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-8-[[(1S,4R)-4-hydroxycyclohex-2-en-1-yl]methyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,19-trimethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C51H74N10O13
+CH$EXACT_MASS: 1034.543682
+CH$SMILES: O=C(CC[C@@H](NC([C@H]([C@@H](NC([C@@H](NC(C[C@@H](NC([C@H](C[C@]1(C=C[C@@H](CC1)O)[H])N2)=O)C(O)=O)=O)CCCNC(N)=N)=O)/C=C/C(C)=C/[C@@H]([C@H](CC3=CC=CC=C3)OC)C)C)=O)C(O)=O)N(C(C(N[C@H](C)C2=O)=O)=C)C
+CH$IUPAC: InChI=1S/C51H74N10O13/c1-28(24-29(2)41(74-7)26-33-12-9-8-10-13-33)15-20-36-30(3)44(65)58-38(49(70)71)21-22-43(64)61(6)32(5)46(67)55-31(4)45(66)59-39(25-34-16-18-35(62)19-17-34)48(69)60-40(50(72)73)27-42(63)56-37(47(68)57-36)14-11-23-54-51(52)53/h8-10,12-13,15-16,18,20,24,29-31,34-41,62H,5,11,14,17,19,21-23,25-27H2,1-4,6-7H3,(H,55,67)(H,56,63)(H,57,68)(H,58,65)(H,59,66)(H,60,69)(H,70,71)(H,72,73)(H4,52,53,54)/b20-15+,28-24+/t29-,30-,31+,34-,35-,36-,37-,38+,39-,40+,41-/m0/s1
+CH$LINK: PUBCHEM CID:155802127
+CH$LINK: INCHIKEY JAXVACFEWWEOKE-NMOCKCCNSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 107-1077
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.504 min
+MS$FOCUSED_ION: BASE_PEAK 498.2813
+MS$FOCUSED_ION: PRECURSOR_M/Z 1035.551
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0uk9-0900000000-c51397a39bb4e379d118
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  112.0868 C5H10N3+ 1 112.0869 -1.37
+  113.0711 C5H9N2O+ 1 113.0709 1.4
+  115.0868 C5H11N2O+ 1 115.0866 1.58
+  120.0807 C8H10N+ 1 120.0808 -0.68
+  121.0651 C8H9O+ 1 121.0648 2.28
+  150.0912 C9H12NO+ 1 150.0913 -1.16
+  158.0965 C11H12N+ 1 158.0964 0.73
+  170.0962 C12H12N+ 1 170.0964 -1.1
+PK$NUM_PEAK: 8
+PK$PEAK: m/z int. rel.int.
+  112.0868 61929.2 258
+  113.0711 31858.8 133
+  115.0868 30850.7 128
+  120.0807 149673.8 625
+  121.0651 23495.9 98
+  150.0912 239199.9 999
+  158.0965 32690.2 136
+  170.0962 48117.1 200
+//
diff --git a/Eawag/MSBNK-EAWAG-ED194901.txt b/Eawag/MSBNK-EAWAG-ED194901.txt
new file mode 100644
index 0000000000..19f7f04176
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED194901.txt
@@ -0,0 +1,45 @@
+ACCESSION: MSBNK-EAWAG-ED194901
+RECORD_TITLE: [DMAdda5]MC-(H4)YR (and isomers); LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 3
+COMMENT: CyanoMetDB_ID 1949
+CH$NAME: [DMAdda5]MC-(H4)YR (and isomers)
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-(3-guanidinopropyl)-18-((1E,3E,5S,6S)-6-hydroxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl)-8-(((1S,4R)-4-hydroxycyclohex-2-en-1-yl)methyl)-1,5,12,19-tetramethyl-2-methylene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptaazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C51H74N10O13
+CH$EXACT_MASS: 1034.543682
+CH$SMILES: O=C(CC[C@@H](NC([C@H]([C@@H](NC([C@@H](NC([C@H]([C@@H](NC([C@H](C[C@]1(C=C[C@@H](CC1)O)[H])N2)=O)C(O)=O)C)=O)CCCNC(N)=N)=O)/C=C/C(C)=C/[C@@H]([C@H](CC3=CC=CC=C3)O)C)C)=O)C(O)=O)N(C(C(N[C@H](C)C2=O)=O)=C)C
+CH$IUPAC: InChI=1S/C51H74N10O13/c1-27(24-28(2)40(63)26-33-12-9-8-10-13-33)15-20-36-29(3)43(65)58-38(49(71)72)21-22-41(64)61(7)32(6)46(68)55-31(5)45(67)59-39(25-34-16-18-35(62)19-17-34)48(70)60-42(50(73)74)30(4)44(66)57-37(47(69)56-36)14-11-23-54-51(52)53/h8-10,12-13,15-16,18,20,24,28-31,34-40,42,62-63H,6,11,14,17,19,21-23,25-26H2,1-5,7H3,(H,55,68)(H,56,69)(H,57,66)(H,58,65)(H,59,67)(H,60,70)(H,71,72)(H,73,74)(H4,52,53,54)/b20-15+,27-24+/t28-,29-,30-,31+,34-,35-,36-,37-,38+,39-,40-,42+/m0/s1
+CH$LINK: PUBCHEM CID:146684739
+CH$LINK: INCHIKEY LWTYIWMPGBPRGQ-ZVRPPTPOSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 107-1077
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.504 min
+MS$FOCUSED_ION: BASE_PEAK 498.2813
+MS$FOCUSED_ION: PRECURSOR_M/Z 1035.551
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-000i-9000000000-dea8cfcfa276d0e08715
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  115.0627 C5H9NO2+ 1 115.0628 -0.56
+  1035.5498 C51H75N10O13+ 1 1035.551 -1.08
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  115.0627 230320 50
+  1035.5498 4531761.5 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED194902.txt b/Eawag/MSBNK-EAWAG-ED194902.txt
new file mode 100644
index 0000000000..0331804072
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED194902.txt
@@ -0,0 +1,47 @@
+ACCESSION: MSBNK-EAWAG-ED194902
+RECORD_TITLE: [DMAdda5]MC-(H4)YR (and isomers); LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 3
+COMMENT: CyanoMetDB_ID 1949
+CH$NAME: [DMAdda5]MC-(H4)YR (and isomers)
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-(3-guanidinopropyl)-18-((1E,3E,5S,6S)-6-hydroxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl)-8-(((1S,4R)-4-hydroxycyclohex-2-en-1-yl)methyl)-1,5,12,19-tetramethyl-2-methylene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptaazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C51H74N10O13
+CH$EXACT_MASS: 1034.543682
+CH$SMILES: O=C(CC[C@@H](NC([C@H]([C@@H](NC([C@@H](NC([C@H]([C@@H](NC([C@H](C[C@]1(C=C[C@@H](CC1)O)[H])N2)=O)C(O)=O)C)=O)CCCNC(N)=N)=O)/C=C/C(C)=C/[C@@H]([C@H](CC3=CC=CC=C3)O)C)C)=O)C(O)=O)N(C(C(N[C@H](C)C2=O)=O)=C)C
+CH$IUPAC: InChI=1S/C51H74N10O13/c1-27(24-28(2)40(63)26-33-12-9-8-10-13-33)15-20-36-29(3)43(65)58-38(49(71)72)21-22-41(64)61(7)32(6)46(68)55-31(5)45(67)59-39(25-34-16-18-35(62)19-17-34)48(70)60-42(50(73)74)30(4)44(66)57-37(47(69)56-36)14-11-23-54-51(52)53/h8-10,12-13,15-16,18,20,24,28-31,34-40,42,62-63H,6,11,14,17,19,21-23,25-26H2,1-5,7H3,(H,55,68)(H,56,69)(H,57,66)(H,58,65)(H,59,67)(H,60,70)(H,71,72)(H,73,74)(H4,52,53,54)/b20-15+,27-24+/t28-,29-,30-,31+,34-,35-,36-,37-,38+,39-,40-,42+/m0/s1
+CH$LINK: PUBCHEM CID:146684739
+CH$LINK: INCHIKEY LWTYIWMPGBPRGQ-ZVRPPTPOSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 107-1077
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.504 min
+MS$FOCUSED_ION: BASE_PEAK 498.2813
+MS$FOCUSED_ION: PRECURSOR_M/Z 1035.551
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-000i-9000000000-2f96cac32ee7d44fcf70
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  115.0629 C5H9NO2+ 1 115.0628 0.83
+  1017.5417 C51H73N10O12+ 1 1017.5404 1.24
+  1035.5508 C51H75N10O13+ 1 1035.551 -0.13
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  115.0629 193686.5 51
+  1017.5417 403330 106
+  1035.5508 3791137.5 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED194903.txt b/Eawag/MSBNK-EAWAG-ED194903.txt
new file mode 100644
index 0000000000..1b55190ed3
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED194903.txt
@@ -0,0 +1,47 @@
+ACCESSION: MSBNK-EAWAG-ED194903
+RECORD_TITLE: [DMAdda5]MC-(H4)YR (and isomers); LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 3
+COMMENT: CyanoMetDB_ID 1949
+CH$NAME: [DMAdda5]MC-(H4)YR (and isomers)
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-(3-guanidinopropyl)-18-((1E,3E,5S,6S)-6-hydroxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl)-8-(((1S,4R)-4-hydroxycyclohex-2-en-1-yl)methyl)-1,5,12,19-tetramethyl-2-methylene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptaazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C51H74N10O13
+CH$EXACT_MASS: 1034.543682
+CH$SMILES: O=C(CC[C@@H](NC([C@H]([C@@H](NC([C@@H](NC([C@H]([C@@H](NC([C@H](C[C@]1(C=C[C@@H](CC1)O)[H])N2)=O)C(O)=O)C)=O)CCCNC(N)=N)=O)/C=C/C(C)=C/[C@@H]([C@H](CC3=CC=CC=C3)O)C)C)=O)C(O)=O)N(C(C(N[C@H](C)C2=O)=O)=C)C
+CH$IUPAC: InChI=1S/C51H74N10O13/c1-27(24-28(2)40(63)26-33-12-9-8-10-13-33)15-20-36-29(3)43(65)58-38(49(71)72)21-22-41(64)61(7)32(6)46(68)55-31(5)45(67)59-39(25-34-16-18-35(62)19-17-34)48(70)60-42(50(73)74)30(4)44(66)57-37(47(69)56-36)14-11-23-54-51(52)53/h8-10,12-13,15-16,18,20,24,28-31,34-40,42,62-63H,6,11,14,17,19,21-23,25-26H2,1-5,7H3,(H,55,68)(H,56,69)(H,57,66)(H,58,65)(H,59,67)(H,60,70)(H,71,72)(H,73,74)(H4,52,53,54)/b20-15+,27-24+/t28-,29-,30-,31+,34-,35-,36-,37-,38+,39-,40-,42+/m0/s1
+CH$LINK: PUBCHEM CID:146684739
+CH$LINK: INCHIKEY LWTYIWMPGBPRGQ-ZVRPPTPOSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 107-1077
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.504 min
+MS$FOCUSED_ION: BASE_PEAK 498.2813
+MS$FOCUSED_ION: PRECURSOR_M/Z 1035.551
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-000i-9000000000-0fb79114ba95994651d3
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  115.0629 C5H9NO2+ 1 115.0628 0.7
+  1017.5405 C51H73N10O12+ 1 1017.5404 0.1
+  1035.5509 C51H75N10O13+ 1 1035.551 -0.02
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  115.0629 120558.4 48
+  1017.5405 1195239 478
+  1035.5509 2494364.8 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED194904.txt b/Eawag/MSBNK-EAWAG-ED194904.txt
new file mode 100644
index 0000000000..4bd066639c
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED194904.txt
@@ -0,0 +1,51 @@
+ACCESSION: MSBNK-EAWAG-ED194904
+RECORD_TITLE: [DMAdda5]MC-(H4)YR (and isomers); LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 3
+COMMENT: CyanoMetDB_ID 1949
+CH$NAME: [DMAdda5]MC-(H4)YR (and isomers)
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-(3-guanidinopropyl)-18-((1E,3E,5S,6S)-6-hydroxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl)-8-(((1S,4R)-4-hydroxycyclohex-2-en-1-yl)methyl)-1,5,12,19-tetramethyl-2-methylene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptaazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C51H74N10O13
+CH$EXACT_MASS: 1034.543682
+CH$SMILES: O=C(CC[C@@H](NC([C@H]([C@@H](NC([C@@H](NC([C@H]([C@@H](NC([C@H](C[C@]1(C=C[C@@H](CC1)O)[H])N2)=O)C(O)=O)C)=O)CCCNC(N)=N)=O)/C=C/C(C)=C/[C@@H]([C@H](CC3=CC=CC=C3)O)C)C)=O)C(O)=O)N(C(C(N[C@H](C)C2=O)=O)=C)C
+CH$IUPAC: InChI=1S/C51H74N10O13/c1-27(24-28(2)40(63)26-33-12-9-8-10-13-33)15-20-36-29(3)43(65)58-38(49(71)72)21-22-41(64)61(7)32(6)46(68)55-31(5)45(67)59-39(25-34-16-18-35(62)19-17-34)48(70)60-42(50(73)74)30(4)44(66)57-37(47(69)56-36)14-11-23-54-51(52)53/h8-10,12-13,15-16,18,20,24,28-31,34-40,42,62-63H,6,11,14,17,19,21-23,25-26H2,1-5,7H3,(H,55,68)(H,56,69)(H,57,66)(H,58,65)(H,59,67)(H,60,70)(H,71,72)(H,73,74)(H4,52,53,54)/b20-15+,27-24+/t28-,29-,30-,31+,34-,35-,36-,37-,38+,39-,40-,42+/m0/s1
+CH$LINK: PUBCHEM CID:146684739
+CH$LINK: INCHIKEY LWTYIWMPGBPRGQ-ZVRPPTPOSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 107-1077
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.504 min
+MS$FOCUSED_ION: BASE_PEAK 498.2813
+MS$FOCUSED_ION: PRECURSOR_M/Z 1035.551
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00kr-9000000000-86bc91eda42ab6efd90d
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  115.0628 C5H9NO2+ 1 115.0628 0.17
+  150.0912 C9H12NO+ 1 150.0913 -0.65
+  420.1915 C24H26N3O4+ 6 420.1918 -0.75
+  1017.5408 C51H73N10O12+ 1 1017.5404 0.4
+  1035.5513 C51H75N10O13+ 1 1035.551 0.34
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  115.0628 55478.6 49
+  150.0912 123323.6 109
+  420.1915 176158.1 156
+  1017.5408 1061233.9 942
+  1035.5513 1125378 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED194905.txt b/Eawag/MSBNK-EAWAG-ED194905.txt
new file mode 100644
index 0000000000..0c2ab0b5b2
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED194905.txt
@@ -0,0 +1,59 @@
+ACCESSION: MSBNK-EAWAG-ED194905
+RECORD_TITLE: [DMAdda5]MC-(H4)YR (and isomers); LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 3
+COMMENT: CyanoMetDB_ID 1949
+CH$NAME: [DMAdda5]MC-(H4)YR (and isomers)
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-(3-guanidinopropyl)-18-((1E,3E,5S,6S)-6-hydroxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl)-8-(((1S,4R)-4-hydroxycyclohex-2-en-1-yl)methyl)-1,5,12,19-tetramethyl-2-methylene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptaazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C51H74N10O13
+CH$EXACT_MASS: 1034.543682
+CH$SMILES: O=C(CC[C@@H](NC([C@H]([C@@H](NC([C@@H](NC([C@H]([C@@H](NC([C@H](C[C@]1(C=C[C@@H](CC1)O)[H])N2)=O)C(O)=O)C)=O)CCCNC(N)=N)=O)/C=C/C(C)=C/[C@@H]([C@H](CC3=CC=CC=C3)O)C)C)=O)C(O)=O)N(C(C(N[C@H](C)C2=O)=O)=C)C
+CH$IUPAC: InChI=1S/C51H74N10O13/c1-27(24-28(2)40(63)26-33-12-9-8-10-13-33)15-20-36-29(3)43(65)58-38(49(71)72)21-22-41(64)61(7)32(6)46(68)55-31(5)45(67)59-39(25-34-16-18-35(62)19-17-34)48(70)60-42(50(73)74)30(4)44(66)57-37(47(69)56-36)14-11-23-54-51(52)53/h8-10,12-13,15-16,18,20,24,28-31,34-40,42,62-63H,6,11,14,17,19,21-23,25-26H2,1-5,7H3,(H,55,68)(H,56,69)(H,57,66)(H,58,65)(H,59,67)(H,60,70)(H,71,72)(H,73,74)(H4,52,53,54)/b20-15+,27-24+/t28-,29-,30-,31+,34-,35-,36-,37-,38+,39-,40-,42+/m0/s1
+CH$LINK: PUBCHEM CID:146684739
+CH$LINK: INCHIKEY LWTYIWMPGBPRGQ-ZVRPPTPOSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 107-1077
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.504 min
+MS$FOCUSED_ION: BASE_PEAK 498.2813
+MS$FOCUSED_ION: PRECURSOR_M/Z 1035.551
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0udi-0920000000-93f7d881fe4b8048208b
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  112.0867 C5H10N3+ 1 112.0869 -2.05
+  113.0708 C5H9N2O+ 1 113.0709 -1.63
+  120.0807 C8H10N+ 1 120.0808 -0.42
+  138.0662 C6H8N3O+ 1 138.0662 -0.23
+  150.0912 C9H12NO+ 1 150.0913 -0.65
+  187.1233 C12H15N2+ 1 187.123 1.5
+  215.1176 C11H13N5+ 3 215.1165 4.87
+  243.1122 C14H15N2O2+ 4 243.1128 -2.64
+  308.1284 C5H20N6O9+ 4 308.1286 -0.72
+PK$NUM_PEAK: 9
+PK$PEAK: m/z int. rel.int.
+  112.0867 65221.2 192
+  113.0708 51066.8 150
+  120.0807 78300.2 230
+  138.0662 31114.2 91
+  150.0912 339272.9 999
+  187.1233 32068.1 94
+  215.1176 103328.8 304
+  243.1122 78334.2 230
+  308.1284 51747.8 152
+//
diff --git a/Eawag/MSBNK-EAWAG-ED194906.txt b/Eawag/MSBNK-EAWAG-ED194906.txt
new file mode 100644
index 0000000000..4f1b999dde
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED194906.txt
@@ -0,0 +1,57 @@
+ACCESSION: MSBNK-EAWAG-ED194906
+RECORD_TITLE: [DMAdda5]MC-(H4)YR (and isomers); LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 3
+COMMENT: CyanoMetDB_ID 1949
+CH$NAME: [DMAdda5]MC-(H4)YR (and isomers)
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-(3-guanidinopropyl)-18-((1E,3E,5S,6S)-6-hydroxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl)-8-(((1S,4R)-4-hydroxycyclohex-2-en-1-yl)methyl)-1,5,12,19-tetramethyl-2-methylene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptaazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C51H74N10O13
+CH$EXACT_MASS: 1034.543682
+CH$SMILES: O=C(CC[C@@H](NC([C@H]([C@@H](NC([C@@H](NC([C@H]([C@@H](NC([C@H](C[C@]1(C=C[C@@H](CC1)O)[H])N2)=O)C(O)=O)C)=O)CCCNC(N)=N)=O)/C=C/C(C)=C/[C@@H]([C@H](CC3=CC=CC=C3)O)C)C)=O)C(O)=O)N(C(C(N[C@H](C)C2=O)=O)=C)C
+CH$IUPAC: InChI=1S/C51H74N10O13/c1-27(24-28(2)40(63)26-33-12-9-8-10-13-33)15-20-36-29(3)43(65)58-38(49(71)72)21-22-41(64)61(7)32(6)46(68)55-31(5)45(67)59-39(25-34-16-18-35(62)19-17-34)48(70)60-42(50(73)74)30(4)44(66)57-37(47(69)56-36)14-11-23-54-51(52)53/h8-10,12-13,15-16,18,20,24,28-31,34-40,42,62-63H,6,11,14,17,19,21-23,25-26H2,1-5,7H3,(H,55,68)(H,56,69)(H,57,66)(H,58,65)(H,59,67)(H,60,70)(H,71,72)(H,73,74)(H4,52,53,54)/b20-15+,27-24+/t28-,29-,30-,31+,34-,35-,36-,37-,38+,39-,40-,42+/m0/s1
+CH$LINK: PUBCHEM CID:146684739
+CH$LINK: INCHIKEY LWTYIWMPGBPRGQ-ZVRPPTPOSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 107-1077
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.504 min
+MS$FOCUSED_ION: BASE_PEAK 498.2813
+MS$FOCUSED_ION: PRECURSOR_M/Z 1035.551
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0udi-0900000000-23d08b56dda561654acc
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  112.0869 C5H10N3+ 1 112.0869 -0.62
+  113.0709 C5H9N2O+ 1 113.0709 -0.29
+  115.0869 C5H11N2O+ 1 115.0866 2.44
+  120.0808 C8H10N+ 1 120.0808 0.21
+  150.0911 C9H12NO+ 1 150.0913 -1.36
+  158.0964 C11H12N+ 1 158.0964 -0.04
+  167.0816 C8H11N2O2+ 1 167.0815 0.32
+  215.1172 C11H13N5+ 2 215.1165 3.1
+PK$NUM_PEAK: 8
+PK$PEAK: m/z int. rel.int.
+  112.0869 67140.9 215
+  113.0709 62659.9 200
+  115.0869 26218.6 84
+  120.0808 134914.2 432
+  150.0911 311801.2 999
+  158.0964 30318 97
+  167.0816 33367.8 106
+  215.1172 69621.9 223
+//
diff --git a/Eawag/MSBNK-EAWAG-ED194907.txt b/Eawag/MSBNK-EAWAG-ED194907.txt
new file mode 100644
index 0000000000..86e7a2acac
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED194907.txt
@@ -0,0 +1,57 @@
+ACCESSION: MSBNK-EAWAG-ED194907
+RECORD_TITLE: [DMAdda5]MC-(H4)YR (and isomers); LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 3
+COMMENT: CyanoMetDB_ID 1949
+CH$NAME: [DMAdda5]MC-(H4)YR (and isomers)
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-(3-guanidinopropyl)-18-((1E,3E,5S,6S)-6-hydroxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl)-8-(((1S,4R)-4-hydroxycyclohex-2-en-1-yl)methyl)-1,5,12,19-tetramethyl-2-methylene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptaazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C51H74N10O13
+CH$EXACT_MASS: 1034.543682
+CH$SMILES: O=C(CC[C@@H](NC([C@H]([C@@H](NC([C@@H](NC([C@H]([C@@H](NC([C@H](C[C@]1(C=C[C@@H](CC1)O)[H])N2)=O)C(O)=O)C)=O)CCCNC(N)=N)=O)/C=C/C(C)=C/[C@@H]([C@H](CC3=CC=CC=C3)O)C)C)=O)C(O)=O)N(C(C(N[C@H](C)C2=O)=O)=C)C
+CH$IUPAC: InChI=1S/C51H74N10O13/c1-27(24-28(2)40(63)26-33-12-9-8-10-13-33)15-20-36-29(3)43(65)58-38(49(71)72)21-22-41(64)61(7)32(6)46(68)55-31(5)45(67)59-39(25-34-16-18-35(62)19-17-34)48(70)60-42(50(73)74)30(4)44(66)57-37(47(69)56-36)14-11-23-54-51(52)53/h8-10,12-13,15-16,18,20,24,28-31,34-40,42,62-63H,6,11,14,17,19,21-23,25-26H2,1-5,7H3,(H,55,68)(H,56,69)(H,57,66)(H,58,65)(H,59,67)(H,60,70)(H,71,72)(H,73,74)(H4,52,53,54)/b20-15+,27-24+/t28-,29-,30-,31+,34-,35-,36-,37-,38+,39-,40-,42+/m0/s1
+CH$LINK: PUBCHEM CID:146684739
+CH$LINK: INCHIKEY LWTYIWMPGBPRGQ-ZVRPPTPOSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 107-1077
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.504 min
+MS$FOCUSED_ION: BASE_PEAK 498.2813
+MS$FOCUSED_ION: PRECURSOR_M/Z 1035.551
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0uk9-0900000000-c51397a39bb4e379d118
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  112.0868 C5H10N3+ 1 112.0869 -1.37
+  113.0711 C5H9N2O+ 1 113.0709 1.4
+  115.0868 C5H11N2O+ 1 115.0866 1.58
+  120.0807 C8H10N+ 1 120.0808 -0.68
+  121.0651 C8H9O+ 1 121.0648 2.28
+  150.0912 C9H12NO+ 1 150.0913 -1.16
+  158.0965 C11H12N+ 1 158.0964 0.73
+  170.0962 C12H12N+ 1 170.0964 -1.1
+PK$NUM_PEAK: 8
+PK$PEAK: m/z int. rel.int.
+  112.0868 61929.2 258
+  113.0711 31858.8 133
+  115.0868 30850.7 128
+  120.0807 149673.8 625
+  121.0651 23495.9 98
+  150.0912 239199.9 999
+  158.0965 32690.2 136
+  170.0962 48117.1 200
+//
diff --git a/Eawag/MSBNK-EAWAG-ED195001.txt b/Eawag/MSBNK-EAWAG-ED195001.txt
new file mode 100644
index 0000000000..514f0fc22e
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED195001.txt
@@ -0,0 +1,45 @@
+ACCESSION: MSBNK-EAWAG-ED195001
+RECORD_TITLE: [D-Asp3,Dha7]MC-LR; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], A. Ballot [dtc], A. Dax [com] * Tentative, please confirm before release
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1950
+CH$NAME: [D-Asp3,Dha7]MC-LR
+CH$NAME: 3,7-Didesmethylmicrocystin LR
+CH$NAME: (5R,8S,11R,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-5,19-dimethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C47H70N10O12
+CH$EXACT_MASS: 966.5174677
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)C[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)NC(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C47H70N10O12/c1-25(2)21-35-44(64)57-36(46(67)68)24-39(59)53-33(15-12-20-50-47(48)49)43(63)54-32(17-16-26(3)22-27(4)37(69-8)23-31-13-10-9-11-14-31)28(5)40(60)55-34(45(65)66)18-19-38(58)51-29(6)41(61)52-30(7)42(62)56-35/h9-11,13-14,16-17,22,25,27-28,30,32-37H,6,12,15,18-21,23-24H2,1-5,7-8H3,(H,51,58)(H,52,61)(H,53,59)(H,54,63)(H,55,60)(H,56,62)(H,57,64)(H,65,66)(H,67,68)(H4,48,49,50)/b17-16+,26-22+/t27-,28-,30+,32-,33-,34+,35-,36+,37-/m0/s1
+CH$LINK: CAS 126268-88-0
+CH$LINK: PUBCHEM CID:6441615
+CH$LINK: INCHIKEY PENYTKSZIDPONS-NGLWDUFTSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 100-1008
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 15.704 min
+MS$FOCUSED_ION: BASE_PEAK 495.2572
+MS$FOCUSED_ION: PRECURSOR_M/Z 967.5247
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-014i-0000000009-aa83774e850137d35ff9
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  967.5244 C47H71N10O12+ 1 967.5247 -0.4
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  967.5244 5666697 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED195002.txt b/Eawag/MSBNK-EAWAG-ED195002.txt
new file mode 100644
index 0000000000..b2b65f17df
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED195002.txt
@@ -0,0 +1,45 @@
+ACCESSION: MSBNK-EAWAG-ED195002
+RECORD_TITLE: [D-Asp3,Dha7]MC-LR; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], A. Ballot [dtc], A. Dax [com] * Tentative, please confirm before release
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1950
+CH$NAME: [D-Asp3,Dha7]MC-LR
+CH$NAME: 3,7-Didesmethylmicrocystin LR
+CH$NAME: (5R,8S,11R,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-5,19-dimethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C47H70N10O12
+CH$EXACT_MASS: 966.5174677
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)C[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)NC(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C47H70N10O12/c1-25(2)21-35-44(64)57-36(46(67)68)24-39(59)53-33(15-12-20-50-47(48)49)43(63)54-32(17-16-26(3)22-27(4)37(69-8)23-31-13-10-9-11-14-31)28(5)40(60)55-34(45(65)66)18-19-38(58)51-29(6)41(61)52-30(7)42(62)56-35/h9-11,13-14,16-17,22,25,27-28,30,32-37H,6,12,15,18-21,23-24H2,1-5,7-8H3,(H,51,58)(H,52,61)(H,53,59)(H,54,63)(H,55,60)(H,56,62)(H,57,64)(H,65,66)(H,67,68)(H4,48,49,50)/b17-16+,26-22+/t27-,28-,30+,32-,33-,34+,35-,36+,37-/m0/s1
+CH$LINK: CAS 126268-88-0
+CH$LINK: PUBCHEM CID:6441615
+CH$LINK: INCHIKEY PENYTKSZIDPONS-NGLWDUFTSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 100-1008
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 15.704 min
+MS$FOCUSED_ION: BASE_PEAK 495.2572
+MS$FOCUSED_ION: PRECURSOR_M/Z 967.5247
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-014i-0000000009-76a8fc62a56628521431
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  967.525 C47H71N10O12+ 1 967.5247 0.29
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  967.525 5582546 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED195003.txt b/Eawag/MSBNK-EAWAG-ED195003.txt
new file mode 100644
index 0000000000..e4b78b4972
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED195003.txt
@@ -0,0 +1,45 @@
+ACCESSION: MSBNK-EAWAG-ED195003
+RECORD_TITLE: [D-Asp3,Dha7]MC-LR; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], A. Ballot [dtc], A. Dax [com] * Tentative, please confirm before release
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1950
+CH$NAME: [D-Asp3,Dha7]MC-LR
+CH$NAME: 3,7-Didesmethylmicrocystin LR
+CH$NAME: (5R,8S,11R,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-5,19-dimethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C47H70N10O12
+CH$EXACT_MASS: 966.5174677
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)C[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)NC(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C47H70N10O12/c1-25(2)21-35-44(64)57-36(46(67)68)24-39(59)53-33(15-12-20-50-47(48)49)43(63)54-32(17-16-26(3)22-27(4)37(69-8)23-31-13-10-9-11-14-31)28(5)40(60)55-34(45(65)66)18-19-38(58)51-29(6)41(61)52-30(7)42(62)56-35/h9-11,13-14,16-17,22,25,27-28,30,32-37H,6,12,15,18-21,23-24H2,1-5,7-8H3,(H,51,58)(H,52,61)(H,53,59)(H,54,63)(H,55,60)(H,56,62)(H,57,64)(H,65,66)(H,67,68)(H4,48,49,50)/b17-16+,26-22+/t27-,28-,30+,32-,33-,34+,35-,36+,37-/m0/s1
+CH$LINK: CAS 126268-88-0
+CH$LINK: PUBCHEM CID:6441615
+CH$LINK: INCHIKEY PENYTKSZIDPONS-NGLWDUFTSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 100-1008
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 15.704 min
+MS$FOCUSED_ION: BASE_PEAK 495.2572
+MS$FOCUSED_ION: PRECURSOR_M/Z 967.5247
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-014i-0000000009-2395534dfb7001b17341
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  967.5247 C47H71N10O12+ 1 967.5247 -0.09
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  967.5247 4750452 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED195004.txt b/Eawag/MSBNK-EAWAG-ED195004.txt
new file mode 100644
index 0000000000..5027d03d53
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED195004.txt
@@ -0,0 +1,53 @@
+ACCESSION: MSBNK-EAWAG-ED195004
+RECORD_TITLE: [D-Asp3,Dha7]MC-LR; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], A. Ballot [dtc], A. Dax [com] * Tentative, please confirm before release
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1950
+CH$NAME: [D-Asp3,Dha7]MC-LR
+CH$NAME: 3,7-Didesmethylmicrocystin LR
+CH$NAME: (5R,8S,11R,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-5,19-dimethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C47H70N10O12
+CH$EXACT_MASS: 966.5174677
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)C[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)NC(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C47H70N10O12/c1-25(2)21-35-44(64)57-36(46(67)68)24-39(59)53-33(15-12-20-50-47(48)49)43(63)54-32(17-16-26(3)22-27(4)37(69-8)23-31-13-10-9-11-14-31)28(5)40(60)55-34(45(65)66)18-19-38(58)51-29(6)41(61)52-30(7)42(62)56-35/h9-11,13-14,16-17,22,25,27-28,30,32-37H,6,12,15,18-21,23-24H2,1-5,7-8H3,(H,51,58)(H,52,61)(H,53,59)(H,54,63)(H,55,60)(H,56,62)(H,57,64)(H,65,66)(H,67,68)(H4,48,49,50)/b17-16+,26-22+/t27-,28-,30+,32-,33-,34+,35-,36+,37-/m0/s1
+CH$LINK: CAS 126268-88-0
+CH$LINK: PUBCHEM CID:6441615
+CH$LINK: INCHIKEY PENYTKSZIDPONS-NGLWDUFTSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 100-1008
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 15.704 min
+MS$FOCUSED_ION: BASE_PEAK 495.2572
+MS$FOCUSED_ION: PRECURSOR_M/Z 967.5247
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-014i-0000000009-dedca584af1413538850
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  135.0802 C9H11O+ 1 135.0804 -2.07
+  163.1112 C11H15O+ 1 163.1117 -3.12
+  174.1344 C6H16N5O+ 3 174.1349 -2.81
+  361.1758 C5H27N7O11+ 6 361.1763 -1.5
+  967.5251 C47H71N10O12+ 1 967.5247 0.36
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  135.0802 56634.3 25
+  163.1112 34476.5 15
+  174.1344 53874.3 24
+  361.1758 45490.6 20
+  967.5251 2215568 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED195005.txt b/Eawag/MSBNK-EAWAG-ED195005.txt
new file mode 100644
index 0000000000..392853366b
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED195005.txt
@@ -0,0 +1,67 @@
+ACCESSION: MSBNK-EAWAG-ED195005
+RECORD_TITLE: [D-Asp3,Dha7]MC-LR; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], A. Ballot [dtc], A. Dax [com] * Tentative, please confirm before release
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1950
+CH$NAME: [D-Asp3,Dha7]MC-LR
+CH$NAME: 3,7-Didesmethylmicrocystin LR
+CH$NAME: (5R,8S,11R,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-5,19-dimethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C47H70N10O12
+CH$EXACT_MASS: 966.5174677
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)C[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)NC(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C47H70N10O12/c1-25(2)21-35-44(64)57-36(46(67)68)24-39(59)53-33(15-12-20-50-47(48)49)43(63)54-32(17-16-26(3)22-27(4)37(69-8)23-31-13-10-9-11-14-31)28(5)40(60)55-34(45(65)66)18-19-38(58)51-29(6)41(61)52-30(7)42(62)56-35/h9-11,13-14,16-17,22,25,27-28,30,32-37H,6,12,15,18-21,23-24H2,1-5,7-8H3,(H,51,58)(H,52,61)(H,53,59)(H,54,63)(H,55,60)(H,56,62)(H,57,64)(H,65,66)(H,67,68)(H4,48,49,50)/b17-16+,26-22+/t27-,28-,30+,32-,33-,34+,35-,36+,37-/m0/s1
+CH$LINK: CAS 126268-88-0
+CH$LINK: PUBCHEM CID:6441615
+CH$LINK: INCHIKEY PENYTKSZIDPONS-NGLWDUFTSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 100-1008
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 15.704 min
+MS$FOCUSED_ION: BASE_PEAK 495.2572
+MS$FOCUSED_ION: PRECURSOR_M/Z 967.5247
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-01p9-0900000000-cc0cbd84955bdecbf968
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  105.0698 C8H9+ 1 105.0699 -1.07
+  107.0856 C8H11+ 1 107.0855 0.76
+  112.0869 C5H10N3+ 1 112.0869 -0.58
+  113.0713 C5H9N2O+ 1 113.0709 3.02
+  115.0867 C5H11N2O+ 1 115.0866 1
+  135.0804 C9H11O+ 1 135.0804 -0.15
+  135.1166 C10H15+ 1 135.1168 -1.34
+  157.1082 C6H13N4O+ 1 157.1084 -1.26
+  163.1118 C11H15O+ 1 163.1117 0.63
+  174.1346 C6H16N5O+ 1 174.1349 -2.2
+  200.1131 C6H18NO6+ 2 200.1129 0.99
+  361.176 C5H27N7O11+ 7 361.1763 -0.82
+PK$NUM_PEAK: 12
+PK$PEAK: m/z int. rel.int.
+  105.0698 36861.2 112
+  107.0856 107127.8 327
+  112.0869 76013 232
+  113.0713 33583 102
+  115.0867 41015 125
+  135.0804 326580.3 999
+  135.1166 112084.5 342
+  157.1082 71286.6 218
+  163.1118 93779.7 286
+  174.1346 85386.9 261
+  200.1131 40943.5 125
+  361.176 98355 300
+//
diff --git a/Eawag/MSBNK-EAWAG-ED195006.txt b/Eawag/MSBNK-EAWAG-ED195006.txt
new file mode 100644
index 0000000000..6146b8b7e8
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED195006.txt
@@ -0,0 +1,73 @@
+ACCESSION: MSBNK-EAWAG-ED195006
+RECORD_TITLE: [D-Asp3,Dha7]MC-LR; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], A. Ballot [dtc], A. Dax [com] * Tentative, please confirm before release
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1950
+CH$NAME: [D-Asp3,Dha7]MC-LR
+CH$NAME: 3,7-Didesmethylmicrocystin LR
+CH$NAME: (5R,8S,11R,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-5,19-dimethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C47H70N10O12
+CH$EXACT_MASS: 966.5174677
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)C[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)NC(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C47H70N10O12/c1-25(2)21-35-44(64)57-36(46(67)68)24-39(59)53-33(15-12-20-50-47(48)49)43(63)54-32(17-16-26(3)22-27(4)37(69-8)23-31-13-10-9-11-14-31)28(5)40(60)55-34(45(65)66)18-19-38(58)51-29(6)41(61)52-30(7)42(62)56-35/h9-11,13-14,16-17,22,25,27-28,30,32-37H,6,12,15,18-21,23-24H2,1-5,7-8H3,(H,51,58)(H,52,61)(H,53,59)(H,54,63)(H,55,60)(H,56,62)(H,57,64)(H,65,66)(H,67,68)(H4,48,49,50)/b17-16+,26-22+/t27-,28-,30+,32-,33-,34+,35-,36+,37-/m0/s1
+CH$LINK: CAS 126268-88-0
+CH$LINK: PUBCHEM CID:6441615
+CH$LINK: INCHIKEY PENYTKSZIDPONS-NGLWDUFTSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 100-1008
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 15.704 min
+MS$FOCUSED_ION: BASE_PEAK 495.2572
+MS$FOCUSED_ION: PRECURSOR_M/Z 967.5247
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-052r-0900000000-fe0954a048c631a0bb39
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  103.0542 C8H7+ 1 103.0542 0.2
+  105.0699 C8H9+ 1 105.0699 0.02
+  107.0855 C8H11+ 1 107.0855 -0.24
+  112.0868 C5H10N3+ 1 112.0869 -1.46
+  113.0708 C5H9N2O+ 1 113.0709 -1.3
+  115.0867 C5H11N2O+ 1 115.0866 1.07
+  135.0803 C9H11O+ 1 135.0804 -0.71
+  135.1165 C10H15+ 1 135.1168 -2.13
+  140.082 C6H10N3O+ 1 140.0818 1.19
+  157.1085 C6H13N4O+ 1 157.1084 0.68
+  163.1114 C11H15O+ 1 163.1117 -1.81
+  174.1344 C6H16N5O+ 3 174.1349 -2.99
+  181.0603 C8H9N2O3+ 2 181.0608 -2.49
+  199.071 C8H11N2O4+ 1 199.0713 -1.7
+  200.1135 C6H18NO6+ 3 200.1129 3.35
+PK$NUM_PEAK: 15
+PK$PEAK: m/z int. rel.int.
+  103.0542 129278.1 319
+  105.0699 104155 257
+  107.0855 175374.1 433
+  112.0868 111390.4 275
+  113.0708 44656.3 110
+  115.0867 75966.3 187
+  135.0803 404147.9 999
+  135.1165 146650.4 362
+  140.082 26149.3 64
+  157.1085 66164.3 163
+  163.1114 52318 129
+  174.1344 36335.1 89
+  181.0603 19815.6 48
+  199.071 32436.3 80
+  200.1135 34304.5 84
+//
diff --git a/Eawag/MSBNK-EAWAG-ED195007.txt b/Eawag/MSBNK-EAWAG-ED195007.txt
new file mode 100644
index 0000000000..3e181ff5c1
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED195007.txt
@@ -0,0 +1,63 @@
+ACCESSION: MSBNK-EAWAG-ED195007
+RECORD_TITLE: [D-Asp3,Dha7]MC-LR; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], A. Ballot [dtc], A. Dax [com] * Tentative, please confirm before release
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1950
+CH$NAME: [D-Asp3,Dha7]MC-LR
+CH$NAME: 3,7-Didesmethylmicrocystin LR
+CH$NAME: (5R,8S,11R,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-5,19-dimethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C47H70N10O12
+CH$EXACT_MASS: 966.5174677
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)C[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)NC(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C47H70N10O12/c1-25(2)21-35-44(64)57-36(46(67)68)24-39(59)53-33(15-12-20-50-47(48)49)43(63)54-32(17-16-26(3)22-27(4)37(69-8)23-31-13-10-9-11-14-31)28(5)40(60)55-34(45(65)66)18-19-38(58)51-29(6)41(61)52-30(7)42(62)56-35/h9-11,13-14,16-17,22,25,27-28,30,32-37H,6,12,15,18-21,23-24H2,1-5,7-8H3,(H,51,58)(H,52,61)(H,53,59)(H,54,63)(H,55,60)(H,56,62)(H,57,64)(H,65,66)(H,67,68)(H4,48,49,50)/b17-16+,26-22+/t27-,28-,30+,32-,33-,34+,35-,36+,37-/m0/s1
+CH$LINK: CAS 126268-88-0
+CH$LINK: PUBCHEM CID:6441615
+CH$LINK: INCHIKEY PENYTKSZIDPONS-NGLWDUFTSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 100-1008
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 15.704 min
+MS$FOCUSED_ION: BASE_PEAK 495.2572
+MS$FOCUSED_ION: PRECURSOR_M/Z 967.5247
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0k9i-0900000000-7ce3b0d950d52af4cfd6
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  103.0544 C8H7+ 1 103.0542 1.54
+  105.07 C8H9+ 1 105.0699 1.11
+  107.0856 C8H11+ 1 107.0855 0.47
+  112.0868 C5H10N3+ 1 112.0869 -0.85
+  115.0543 C9H7+ 1 115.0542 0.33
+  115.0865 C5H11N2O+ 1 115.0866 -0.46
+  135.0805 C9H11O+ 1 135.0804 0.3
+  135.1165 C10H15+ 1 135.1168 -2.13
+  141.066 C6H9N2O2+ 1 141.0659 0.75
+  163.1118 C11H15O+ 1 163.1117 0.25
+PK$NUM_PEAK: 10
+PK$PEAK: m/z int. rel.int.
+  103.0544 216445.9 759
+  105.07 143650.3 504
+  107.0856 204085.3 716
+  112.0868 86775.9 304
+  115.0543 28591.2 100
+  115.0865 54989.5 192
+  135.0805 284704.7 999
+  135.1165 102484.2 359
+  141.066 17025.9 59
+  163.1118 25501.7 89
+//
diff --git a/Eawag/MSBNK-EAWAG-ED195008.txt b/Eawag/MSBNK-EAWAG-ED195008.txt
new file mode 100644
index 0000000000..679dcd84f4
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED195008.txt
@@ -0,0 +1,61 @@
+ACCESSION: MSBNK-EAWAG-ED195008
+RECORD_TITLE: [D-Asp3,Dha7]MC-LR; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], A. Ballot [dtc], A. Dax [com] * Tentative, please confirm before release
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1950
+CH$NAME: [D-Asp3,Dha7]MC-LR
+CH$NAME: 3,7-Didesmethylmicrocystin LR
+CH$NAME: (5R,8S,11R,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-5,19-dimethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C47H70N10O12
+CH$EXACT_MASS: 966.5174677
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)C[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)NC(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C47H70N10O12/c1-25(2)21-35-44(64)57-36(46(67)68)24-39(59)53-33(15-12-20-50-47(48)49)43(63)54-32(17-16-26(3)22-27(4)37(69-8)23-31-13-10-9-11-14-31)28(5)40(60)55-34(45(65)66)18-19-38(58)51-29(6)41(61)52-30(7)42(62)56-35/h9-11,13-14,16-17,22,25,27-28,30,32-37H,6,12,15,18-21,23-24H2,1-5,7-8H3,(H,51,58)(H,52,61)(H,53,59)(H,54,63)(H,55,60)(H,56,62)(H,57,64)(H,65,66)(H,67,68)(H4,48,49,50)/b17-16+,26-22+/t27-,28-,30+,32-,33-,34+,35-,36+,37-/m0/s1
+CH$LINK: CAS 126268-88-0
+CH$LINK: PUBCHEM CID:6441615
+CH$LINK: INCHIKEY PENYTKSZIDPONS-NGLWDUFTSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 100-1008
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 15.704 min
+MS$FOCUSED_ION: BASE_PEAK 495.2572
+MS$FOCUSED_ION: PRECURSOR_M/Z 967.5247
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0zfr-0900000000-ea0235b34368215cd9b0
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  103.0544 C8H7+ 1 103.0542 1.31
+  105.07 C8H9+ 1 105.0699 0.89
+  107.0856 C8H11+ 1 107.0855 0.26
+  113.0712 C5H9N2O+ 1 113.0709 2.68
+  115.054 C9H7+ 1 115.0542 -2.06
+  115.0867 C5H11N2O+ 1 115.0866 1.2
+  117.0698 C9H9+ 1 117.0699 -0.45
+  135.0804 C9H11O+ 1 135.0804 -0.26
+  181.0603 C8H9N2O3+ 2 181.0608 -2.58
+PK$NUM_PEAK: 9
+PK$PEAK: m/z int. rel.int.
+  103.0544 379607.3 999
+  105.07 184287.9 484
+  107.0856 175549.1 461
+  113.0712 25760.9 67
+  115.054 41421.3 109
+  115.0867 44228.2 116
+  117.0698 66073.4 173
+  135.0804 137957.4 363
+  181.0603 20098.8 52
+//
diff --git a/Eawag/MSBNK-EAWAG-ED195009.txt b/Eawag/MSBNK-EAWAG-ED195009.txt
new file mode 100644
index 0000000000..fcf0977ca6
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED195009.txt
@@ -0,0 +1,59 @@
+ACCESSION: MSBNK-EAWAG-ED195009
+RECORD_TITLE: [D-Asp3,Dha7]MC-LR; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], A. Ballot [dtc], A. Dax [com] * Tentative, please confirm before release
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1950
+CH$NAME: [D-Asp3,Dha7]MC-LR
+CH$NAME: 3,7-Didesmethylmicrocystin LR
+CH$NAME: (5R,8S,11R,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-5,19-dimethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C47H70N10O12
+CH$EXACT_MASS: 966.5174677
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)C[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)NC(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C47H70N10O12/c1-25(2)21-35-44(64)57-36(46(67)68)24-39(59)53-33(15-12-20-50-47(48)49)43(63)54-32(17-16-26(3)22-27(4)37(69-8)23-31-13-10-9-11-14-31)28(5)40(60)55-34(45(65)66)18-19-38(58)51-29(6)41(61)52-30(7)42(62)56-35/h9-11,13-14,16-17,22,25,27-28,30,32-37H,6,12,15,18-21,23-24H2,1-5,7-8H3,(H,51,58)(H,52,61)(H,53,59)(H,54,63)(H,55,60)(H,56,62)(H,57,64)(H,65,66)(H,67,68)(H4,48,49,50)/b17-16+,26-22+/t27-,28-,30+,32-,33-,34+,35-,36+,37-/m0/s1
+CH$LINK: CAS 126268-88-0
+CH$LINK: PUBCHEM CID:6441615
+CH$LINK: INCHIKEY PENYTKSZIDPONS-NGLWDUFTSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 100-1008
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 15.704 min
+MS$FOCUSED_ION: BASE_PEAK 495.2572
+MS$FOCUSED_ION: PRECURSOR_M/Z 967.5247
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0zfr-0900000000-a6d512bec3e69bf14714
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  103.0543 C8H7+ 1 103.0542 0.72
+  105.0699 C8H9+ 1 105.0699 0.38
+  107.0855 C8H11+ 1 107.0855 -0.31
+  112.0871 C5H10N3+ 1 112.0869 1.8
+  115.0541 C9H7+ 1 115.0542 -1.26
+  115.0868 C5H11N2O+ 1 115.0866 1.8
+  117.0697 C9H9+ 1 117.0699 -1.56
+  135.0803 C9H11O+ 1 135.0804 -1.05
+PK$NUM_PEAK: 8
+PK$PEAK: m/z int. rel.int.
+  103.0543 398658.4 999
+  105.0699 177374.4 444
+  107.0855 120107.9 300
+  112.0871 32179.1 80
+  115.0541 44324.9 111
+  115.0868 30367.4 76
+  117.0697 54176.5 135
+  135.0803 62782.7 157
+//
diff --git a/Eawag/MSBNK-EAWAG-ED195051.txt b/Eawag/MSBNK-EAWAG-ED195051.txt
new file mode 100644
index 0000000000..42c5b5ed7a
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED195051.txt
@@ -0,0 +1,47 @@
+ACCESSION: MSBNK-EAWAG-ED195051
+RECORD_TITLE: [D-Asp3,Dha7]MC-LR; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], A. Ballot [dtc], A. Dax [com] * Tentative, please confirm before release
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1950
+CH$NAME: [D-Asp3,Dha7]MC-LR
+CH$NAME: 3,7-Didesmethylmicrocystin LR
+CH$NAME: (5R,8S,11R,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-5,19-dimethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C47H70N10O12
+CH$EXACT_MASS: 966.5174677
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)C[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)NC(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C47H70N10O12/c1-25(2)21-35-44(64)57-36(46(67)68)24-39(59)53-33(15-12-20-50-47(48)49)43(63)54-32(17-16-26(3)22-27(4)37(69-8)23-31-13-10-9-11-14-31)28(5)40(60)55-34(45(65)66)18-19-38(58)51-29(6)41(61)52-30(7)42(62)56-35/h9-11,13-14,16-17,22,25,27-28,30,32-37H,6,12,15,18-21,23-24H2,1-5,7-8H3,(H,51,58)(H,52,61)(H,53,59)(H,54,63)(H,55,60)(H,56,62)(H,57,64)(H,65,66)(H,67,68)(H4,48,49,50)/b17-16+,26-22+/t27-,28-,30+,32-,33-,34+,35-,36+,37-/m0/s1
+CH$LINK: CAS 126268-88-0
+CH$LINK: PUBCHEM CID:6441615
+CH$LINK: INCHIKEY PENYTKSZIDPONS-NGLWDUFTSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 100-1006
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 15.718 min
+MS$FOCUSED_ION: BASE_PEAK 116.9284
+MS$FOCUSED_ION: PRECURSOR_M/Z 965.5102
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-014i-0000000009-a3c19965fecb94c05338
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  947.4971 C47H67N10O11- 1 947.4996 -2.71
+  965.5102 C47H69N10O12- 1 965.5102 0.04
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  947.4971 40964.1 12
+  965.5102 3354337.5 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED195052.txt b/Eawag/MSBNK-EAWAG-ED195052.txt
new file mode 100644
index 0000000000..ac97f805ce
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED195052.txt
@@ -0,0 +1,47 @@
+ACCESSION: MSBNK-EAWAG-ED195052
+RECORD_TITLE: [D-Asp3,Dha7]MC-LR; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], A. Ballot [dtc], A. Dax [com] * Tentative, please confirm before release
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1950
+CH$NAME: [D-Asp3,Dha7]MC-LR
+CH$NAME: 3,7-Didesmethylmicrocystin LR
+CH$NAME: (5R,8S,11R,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-5,19-dimethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C47H70N10O12
+CH$EXACT_MASS: 966.5174677
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)C[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)NC(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C47H70N10O12/c1-25(2)21-35-44(64)57-36(46(67)68)24-39(59)53-33(15-12-20-50-47(48)49)43(63)54-32(17-16-26(3)22-27(4)37(69-8)23-31-13-10-9-11-14-31)28(5)40(60)55-34(45(65)66)18-19-38(58)51-29(6)41(61)52-30(7)42(62)56-35/h9-11,13-14,16-17,22,25,27-28,30,32-37H,6,12,15,18-21,23-24H2,1-5,7-8H3,(H,51,58)(H,52,61)(H,53,59)(H,54,63)(H,55,60)(H,56,62)(H,57,64)(H,65,66)(H,67,68)(H4,48,49,50)/b17-16+,26-22+/t27-,28-,30+,32-,33-,34+,35-,36+,37-/m0/s1
+CH$LINK: CAS 126268-88-0
+CH$LINK: PUBCHEM CID:6441615
+CH$LINK: INCHIKEY PENYTKSZIDPONS-NGLWDUFTSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 100-1006
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 15.718 min
+MS$FOCUSED_ION: BASE_PEAK 116.9284
+MS$FOCUSED_ION: PRECURSOR_M/Z 965.5102
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-014i-0000000009-4f2a794ac56e987e03df
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  947.4968 C47H67N10O11- 1 947.4996 -2.97
+  965.5098 C47H69N10O12- 1 965.5102 -0.4
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  947.4968 237506.4 86
+  965.5098 2733859.5 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED195053.txt b/Eawag/MSBNK-EAWAG-ED195053.txt
new file mode 100644
index 0000000000..89030cb5ed
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED195053.txt
@@ -0,0 +1,47 @@
+ACCESSION: MSBNK-EAWAG-ED195053
+RECORD_TITLE: [D-Asp3,Dha7]MC-LR; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], A. Ballot [dtc], A. Dax [com] * Tentative, please confirm before release
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1950
+CH$NAME: [D-Asp3,Dha7]MC-LR
+CH$NAME: 3,7-Didesmethylmicrocystin LR
+CH$NAME: (5R,8S,11R,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-5,19-dimethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C47H70N10O12
+CH$EXACT_MASS: 966.5174677
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)C[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)NC(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C47H70N10O12/c1-25(2)21-35-44(64)57-36(46(67)68)24-39(59)53-33(15-12-20-50-47(48)49)43(63)54-32(17-16-26(3)22-27(4)37(69-8)23-31-13-10-9-11-14-31)28(5)40(60)55-34(45(65)66)18-19-38(58)51-29(6)41(61)52-30(7)42(62)56-35/h9-11,13-14,16-17,22,25,27-28,30,32-37H,6,12,15,18-21,23-24H2,1-5,7-8H3,(H,51,58)(H,52,61)(H,53,59)(H,54,63)(H,55,60)(H,56,62)(H,57,64)(H,65,66)(H,67,68)(H4,48,49,50)/b17-16+,26-22+/t27-,28-,30+,32-,33-,34+,35-,36+,37-/m0/s1
+CH$LINK: CAS 126268-88-0
+CH$LINK: PUBCHEM CID:6441615
+CH$LINK: INCHIKEY PENYTKSZIDPONS-NGLWDUFTSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 100-1006
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 15.718 min
+MS$FOCUSED_ION: BASE_PEAK 116.9284
+MS$FOCUSED_ION: PRECURSOR_M/Z 965.5102
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-014j-0000000009-521a210bed9b87751598
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  947.4992 C47H67N10O11- 1 947.4996 -0.45
+  965.5098 C47H69N10O12- 1 965.5102 -0.4
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  947.4992 908637.1 503
+  965.5098 1801261.9 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED195054.txt b/Eawag/MSBNK-EAWAG-ED195054.txt
new file mode 100644
index 0000000000..2ed3e91d75
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED195054.txt
@@ -0,0 +1,51 @@
+ACCESSION: MSBNK-EAWAG-ED195054
+RECORD_TITLE: [D-Asp3,Dha7]MC-LR; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], A. Ballot [dtc], A. Dax [com] * Tentative, please confirm before release
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1950
+CH$NAME: [D-Asp3,Dha7]MC-LR
+CH$NAME: 3,7-Didesmethylmicrocystin LR
+CH$NAME: (5R,8S,11R,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-5,19-dimethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C47H70N10O12
+CH$EXACT_MASS: 966.5174677
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)C[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)NC(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C47H70N10O12/c1-25(2)21-35-44(64)57-36(46(67)68)24-39(59)53-33(15-12-20-50-47(48)49)43(63)54-32(17-16-26(3)22-27(4)37(69-8)23-31-13-10-9-11-14-31)28(5)40(60)55-34(45(65)66)18-19-38(58)51-29(6)41(61)52-30(7)42(62)56-35/h9-11,13-14,16-17,22,25,27-28,30,32-37H,6,12,15,18-21,23-24H2,1-5,7-8H3,(H,51,58)(H,52,61)(H,53,59)(H,54,63)(H,55,60)(H,56,62)(H,57,64)(H,65,66)(H,67,68)(H4,48,49,50)/b17-16+,26-22+/t27-,28-,30+,32-,33-,34+,35-,36+,37-/m0/s1
+CH$LINK: CAS 126268-88-0
+CH$LINK: PUBCHEM CID:6441615
+CH$LINK: INCHIKEY PENYTKSZIDPONS-NGLWDUFTSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 100-1006
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 15.718 min
+MS$FOCUSED_ION: BASE_PEAK 116.9284
+MS$FOCUSED_ION: PRECURSOR_M/Z 965.5102
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0002-0000000009-b1a17a4a7d6f13ae887e
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  128.0352 C5H6NO3- 1 128.0353 -1.23
+  311.1714 C13H27O8- 3 311.1711 0.89
+  947.4994 C47H67N10O11- 1 947.4996 -0.2
+  965.5102 C47H69N10O12- 1 965.5102 -0.02
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  128.0352 118647.6 112
+  311.1714 38022.6 36
+  947.4994 1054420.1 999
+  965.5102 467953 443
+//
diff --git a/Eawag/MSBNK-EAWAG-ED195055.txt b/Eawag/MSBNK-EAWAG-ED195055.txt
new file mode 100644
index 0000000000..48fb9f9b35
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED195055.txt
@@ -0,0 +1,49 @@
+ACCESSION: MSBNK-EAWAG-ED195055
+RECORD_TITLE: [D-Asp3,Dha7]MC-LR; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], A. Ballot [dtc], A. Dax [com] * Tentative, please confirm before release
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1950
+CH$NAME: [D-Asp3,Dha7]MC-LR
+CH$NAME: 3,7-Didesmethylmicrocystin LR
+CH$NAME: (5R,8S,11R,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-5,19-dimethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C47H70N10O12
+CH$EXACT_MASS: 966.5174677
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)C[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)NC(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C47H70N10O12/c1-25(2)21-35-44(64)57-36(46(67)68)24-39(59)53-33(15-12-20-50-47(48)49)43(63)54-32(17-16-26(3)22-27(4)37(69-8)23-31-13-10-9-11-14-31)28(5)40(60)55-34(45(65)66)18-19-38(58)51-29(6)41(61)52-30(7)42(62)56-35/h9-11,13-14,16-17,22,25,27-28,30,32-37H,6,12,15,18-21,23-24H2,1-5,7-8H3,(H,51,58)(H,52,61)(H,53,59)(H,54,63)(H,55,60)(H,56,62)(H,57,64)(H,65,66)(H,67,68)(H4,48,49,50)/b17-16+,26-22+/t27-,28-,30+,32-,33-,34+,35-,36+,37-/m0/s1
+CH$LINK: CAS 126268-88-0
+CH$LINK: PUBCHEM CID:6441615
+CH$LINK: INCHIKEY PENYTKSZIDPONS-NGLWDUFTSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 100-1006
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 15.718 min
+MS$FOCUSED_ION: BASE_PEAK 116.9284
+MS$FOCUSED_ION: PRECURSOR_M/Z 965.5102
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-004i-0931000000-d78cf2fe5bc202a1bc4a
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  128.0353 C5H6NO3- 1 128.0353 -0.28
+  269.161 C11H25O7- 3 269.1606 1.6
+  311.1713 C13H27O8- 5 311.1711 0.6
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  128.0353 349095.3 999
+  269.161 154268.9 441
+  311.1713 42102.4 120
+//
diff --git a/Eawag/MSBNK-EAWAG-ED195301.txt b/Eawag/MSBNK-EAWAG-ED195301.txt
new file mode 100644
index 0000000000..979e4ad495
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED195301.txt
@@ -0,0 +1,49 @@
+ACCESSION: MSBNK-EAWAG-ED195301
+RECORD_TITLE: [D-Asp3]MC-LR; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], V. Rouge [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1953
+CH$NAME: [D-Asp3]MC-LR
+CH$NAME: Toxin II, cyanobacterium
+CH$NAME: (5R,8S,11R,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,19-trimethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C48H72N10O12
+CH$EXACT_MASS: 980.5331177
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)C[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C48H72N10O12/c1-26(2)22-36-45(65)57-37(47(68)69)25-39(59)53-34(16-13-21-51-48(49)50)44(64)54-33(18-17-27(3)23-28(4)38(70-9)24-32-14-11-10-12-15-32)29(5)41(61)55-35(46(66)67)19-20-40(60)58(8)31(7)43(63)52-30(6)42(62)56-36/h10-12,14-15,17-18,23,26,28-30,33-38H,7,13,16,19-22,24-25H2,1-6,8-9H3,(H,52,63)(H,53,59)(H,54,64)(H,55,61)(H,56,62)(H,57,65)(H,66,67)(H,68,69)(H4,49,50,51)/b18-17+,27-23+/t28-,29-,30+,33-,34-,35+,36-,37+,38-/m0/s1
+CH$LINK: CAS 120011-66-7
+CH$LINK: CHEBI 220610
+CH$LINK: PUBCHEM CID:6440025
+CH$LINK: INCHIKEY VYEBKSHVYPDMQQ-MREVJOSWSA-N
+CH$LINK: CHEMSPIDER 4944354
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 102-1022
+AC$CHROMATOGRAPHY: COLUMN_NAME Acwuity UPLC HSS T3 1.8um, 3x100mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 85/15 at 0 min, 0/100 at 21 min, 0/100 at 25 min, 2/98 at 25.1 min, 2/98 at 31 min, 85/15 at 31.1 min, 85/15 at 33 min
+AC$CHROMATOGRAPHY: FLOW_RATE 300 uL/min at 0 min, 650 uL/min at 25.1 min, 300 uL/min at 31.1 min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.774 min
+MS$FOCUSED_ION: BASE_PEAK 491.2715
+MS$FOCUSED_ION: PRECURSOR_M/Z 981.5404
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-001i-0000000009-ba6d0308ef85a6cdd8e3
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  109.0611 C2H9N2O3+ 1 109.0608 3.42
+  981.5394 C48H73N10O12+ 1 981.5404 -0.98
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  109.0611 917989.8 48
+  981.5394 18794790 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED195302.txt b/Eawag/MSBNK-EAWAG-ED195302.txt
new file mode 100644
index 0000000000..a7bf6b44a3
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED195302.txt
@@ -0,0 +1,49 @@
+ACCESSION: MSBNK-EAWAG-ED195302
+RECORD_TITLE: [D-Asp3]MC-LR; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], V. Rouge [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1953
+CH$NAME: [D-Asp3]MC-LR
+CH$NAME: Toxin II, cyanobacterium
+CH$NAME: (5R,8S,11R,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,19-trimethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C48H72N10O12
+CH$EXACT_MASS: 980.5331177
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)C[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C48H72N10O12/c1-26(2)22-36-45(65)57-37(47(68)69)25-39(59)53-34(16-13-21-51-48(49)50)44(64)54-33(18-17-27(3)23-28(4)38(70-9)24-32-14-11-10-12-15-32)29(5)41(61)55-35(46(66)67)19-20-40(60)58(8)31(7)43(63)52-30(6)42(62)56-36/h10-12,14-15,17-18,23,26,28-30,33-38H,7,13,16,19-22,24-25H2,1-6,8-9H3,(H,52,63)(H,53,59)(H,54,64)(H,55,61)(H,56,62)(H,57,65)(H,66,67)(H,68,69)(H4,49,50,51)/b18-17+,27-23+/t28-,29-,30+,33-,34-,35+,36-,37+,38-/m0/s1
+CH$LINK: CAS 120011-66-7
+CH$LINK: CHEBI 220610
+CH$LINK: PUBCHEM CID:6440025
+CH$LINK: INCHIKEY VYEBKSHVYPDMQQ-MREVJOSWSA-N
+CH$LINK: CHEMSPIDER 4944354
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 102-1022
+AC$CHROMATOGRAPHY: COLUMN_NAME Acwuity UPLC HSS T3 1.8um, 3x100mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 85/15 at 0 min, 0/100 at 21 min, 0/100 at 25 min, 2/98 at 25.1 min, 2/98 at 31 min, 85/15 at 31.1 min, 85/15 at 33 min
+AC$CHROMATOGRAPHY: FLOW_RATE 300 uL/min at 0 min, 650 uL/min at 25.1 min, 300 uL/min at 31.1 min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.774 min
+MS$FOCUSED_ION: BASE_PEAK 491.2715
+MS$FOCUSED_ION: PRECURSOR_M/Z 981.5404
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-001i-0000000009-4001c112b0db17ee15a0
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  109.0612 C2H9N2O3+ 1 109.0608 3.77
+  981.5398 C48H73N10O12+ 1 981.5404 -0.61
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  109.0612 943173.6 48
+  981.5398 19579082 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED195303.txt b/Eawag/MSBNK-EAWAG-ED195303.txt
new file mode 100644
index 0000000000..28beb79c5d
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED195303.txt
@@ -0,0 +1,51 @@
+ACCESSION: MSBNK-EAWAG-ED195303
+RECORD_TITLE: [D-Asp3]MC-LR; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], V. Rouge [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1953
+CH$NAME: [D-Asp3]MC-LR
+CH$NAME: Toxin II, cyanobacterium
+CH$NAME: (5R,8S,11R,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,19-trimethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C48H72N10O12
+CH$EXACT_MASS: 980.5331177
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)C[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C48H72N10O12/c1-26(2)22-36-45(65)57-37(47(68)69)25-39(59)53-34(16-13-21-51-48(49)50)44(64)54-33(18-17-27(3)23-28(4)38(70-9)24-32-14-11-10-12-15-32)29(5)41(61)55-35(46(66)67)19-20-40(60)58(8)31(7)43(63)52-30(6)42(62)56-36/h10-12,14-15,17-18,23,26,28-30,33-38H,7,13,16,19-22,24-25H2,1-6,8-9H3,(H,52,63)(H,53,59)(H,54,64)(H,55,61)(H,56,62)(H,57,65)(H,66,67)(H,68,69)(H4,49,50,51)/b18-17+,27-23+/t28-,29-,30+,33-,34-,35+,36-,37+,38-/m0/s1
+CH$LINK: CAS 120011-66-7
+CH$LINK: CHEBI 220610
+CH$LINK: PUBCHEM CID:6440025
+CH$LINK: INCHIKEY VYEBKSHVYPDMQQ-MREVJOSWSA-N
+CH$LINK: CHEMSPIDER 4944354
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 102-1022
+AC$CHROMATOGRAPHY: COLUMN_NAME Acwuity UPLC HSS T3 1.8um, 3x100mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 85/15 at 0 min, 0/100 at 21 min, 0/100 at 25 min, 2/98 at 25.1 min, 2/98 at 31 min, 85/15 at 31.1 min, 85/15 at 33 min
+AC$CHROMATOGRAPHY: FLOW_RATE 300 uL/min at 0 min, 650 uL/min at 25.1 min, 300 uL/min at 31.1 min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.774 min
+MS$FOCUSED_ION: BASE_PEAK 491.2715
+MS$FOCUSED_ION: PRECURSOR_M/Z 981.5404
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-001i-0000000009-c9d95a36c446de49c9d7
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  109.0613 C2H9N2O3+ 1 109.0608 4.47
+  953.541 C47H73N10O11+ 1 953.5455 -4.71
+  981.5399 C48H73N10O12+ 1 981.5404 -0.55
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  109.0613 808248.1 48
+  953.541 194879 11
+  981.5399 16674181 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED195304.txt b/Eawag/MSBNK-EAWAG-ED195304.txt
new file mode 100644
index 0000000000..f3496f92d1
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED195304.txt
@@ -0,0 +1,75 @@
+ACCESSION: MSBNK-EAWAG-ED195304
+RECORD_TITLE: [D-Asp3]MC-LR; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], V. Rouge [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1953
+CH$NAME: [D-Asp3]MC-LR
+CH$NAME: Toxin II, cyanobacterium
+CH$NAME: (5R,8S,11R,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,19-trimethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C48H72N10O12
+CH$EXACT_MASS: 980.5331177
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)C[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C48H72N10O12/c1-26(2)22-36-45(65)57-37(47(68)69)25-39(59)53-34(16-13-21-51-48(49)50)44(64)54-33(18-17-27(3)23-28(4)38(70-9)24-32-14-11-10-12-15-32)29(5)41(61)55-35(46(66)67)19-20-40(60)58(8)31(7)43(63)52-30(6)42(62)56-36/h10-12,14-15,17-18,23,26,28-30,33-38H,7,13,16,19-22,24-25H2,1-6,8-9H3,(H,52,63)(H,53,59)(H,54,64)(H,55,61)(H,56,62)(H,57,65)(H,66,67)(H,68,69)(H4,49,50,51)/b18-17+,27-23+/t28-,29-,30+,33-,34-,35+,36-,37+,38-/m0/s1
+CH$LINK: CAS 120011-66-7
+CH$LINK: CHEBI 220610
+CH$LINK: PUBCHEM CID:6440025
+CH$LINK: INCHIKEY VYEBKSHVYPDMQQ-MREVJOSWSA-N
+CH$LINK: CHEMSPIDER 4944354
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 102-1022
+AC$CHROMATOGRAPHY: COLUMN_NAME Acwuity UPLC HSS T3 1.8um, 3x100mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 85/15 at 0 min, 0/100 at 21 min, 0/100 at 25 min, 2/98 at 25.1 min, 2/98 at 31 min, 85/15 at 31.1 min, 85/15 at 33 min
+AC$CHROMATOGRAPHY: FLOW_RATE 300 uL/min at 0 min, 650 uL/min at 25.1 min, 300 uL/min at 31.1 min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.774 min
+MS$FOCUSED_ION: BASE_PEAK 491.2715
+MS$FOCUSED_ION: PRECURSOR_M/Z 981.5404
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-001i-0000000009-9b342055901d87ecd26c
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  109.0612 C2H9N2O3+ 1 109.0608 4.19
+  135.0805 C9H11O+ 1 135.0804 0.31
+  163.1114 C11H15O+ 1 163.1117 -2.28
+  174.1344 C6H16N5O+ 3 174.1349 -2.87
+  213.0862 C7H11N5O3+ 2 213.0856 2.54
+  271.1501 C9H23N2O7+ 3 271.15 0.57
+  272.1343 C9H22NO8+ 3 272.134 1.23
+  375.19 C18H25N5O4+ 6 375.1901 -0.25
+  539.2911 C35H35N6+ 9 539.2918 -1.22
+  556.3194 C37H40N4O+ 10 556.3197 -0.52
+  830.4392 C48H58N6O7+ 4 830.4361 3.73
+  847.4662 C39H63N10O11+ 3 847.4672 -1.22
+  953.5448 C47H73N10O11+ 1 953.5455 -0.74
+  964.5114 C48H70N9O12+ 1 964.5138 -2.54
+  981.5404 C48H73N10O12+ 1 981.5404 0.01
+PK$NUM_PEAK: 15
+PK$PEAK: m/z int. rel.int.
+  109.0612 433569.8 49
+  135.0805 169867.6 19
+  163.1114 105821.3 11
+  174.1344 170549.1 19
+  213.0862 143848.4 16
+  271.1501 101945.2 11
+  272.1343 112576.7 12
+  375.19 237001.6 26
+  539.2911 197633 22
+  556.3194 101047.6 11
+  830.4392 149127.6 16
+  847.4662 163056 18
+  953.5448 632924.5 71
+  964.5114 205293.8 23
+  981.5404 8812635 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED195305.txt b/Eawag/MSBNK-EAWAG-ED195305.txt
new file mode 100644
index 0000000000..9aeb67844e
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED195305.txt
@@ -0,0 +1,107 @@
+ACCESSION: MSBNK-EAWAG-ED195305
+RECORD_TITLE: [D-Asp3]MC-LR; LC-ESI-QFT; MS2; CE: 35%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], V. Rouge [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1953
+CH$NAME: [D-Asp3]MC-LR
+CH$NAME: Toxin II, cyanobacterium
+CH$NAME: (5R,8S,11R,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,19-trimethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C48H72N10O12
+CH$EXACT_MASS: 980.5331177
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)C[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C48H72N10O12/c1-26(2)22-36-45(65)57-37(47(68)69)25-39(59)53-34(16-13-21-51-48(49)50)44(64)54-33(18-17-27(3)23-28(4)38(70-9)24-32-14-11-10-12-15-32)29(5)41(61)55-35(46(66)67)19-20-40(60)58(8)31(7)43(63)52-30(6)42(62)56-36/h10-12,14-15,17-18,23,26,28-30,33-38H,7,13,16,19-22,24-25H2,1-6,8-9H3,(H,52,63)(H,53,59)(H,54,64)(H,55,61)(H,56,62)(H,57,65)(H,66,67)(H,68,69)(H4,49,50,51)/b18-17+,27-23+/t28-,29-,30+,33-,34-,35+,36-,37+,38-/m0/s1
+CH$LINK: CAS 120011-66-7
+CH$LINK: CHEBI 220610
+CH$LINK: PUBCHEM CID:6440025
+CH$LINK: INCHIKEY VYEBKSHVYPDMQQ-MREVJOSWSA-N
+CH$LINK: CHEMSPIDER 4944354
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 35 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 102-1022
+AC$CHROMATOGRAPHY: COLUMN_NAME Acwuity UPLC HSS T3 1.8um, 3x100mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 85/15 at 0 min, 0/100 at 21 min, 0/100 at 25 min, 2/98 at 25.1 min, 2/98 at 31 min, 85/15 at 31.1 min, 85/15 at 33 min
+AC$CHROMATOGRAPHY: FLOW_RATE 300 uL/min at 0 min, 650 uL/min at 25.1 min, 300 uL/min at 31.1 min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.774 min
+MS$FOCUSED_ION: BASE_PEAK 491.2715
+MS$FOCUSED_ION: PRECURSOR_M/Z 981.5404
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-001r-0931010008-0bee2723d9f43b37ecd6
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  103.054 C8H7+ 1 103.0542 -2.14
+  107.0854 C8H11+ 1 107.0855 -0.78
+  109.0613 C2H9N2O3+ 1 109.0608 4.96
+  112.0869 C5H10N3+ 1 112.0869 -0.51
+  127.0866 C6H11N2O+ 1 127.0866 0.45
+  135.0804 C9H11O+ 1 135.0804 -0.37
+  135.1166 C10H15+ 1 135.1168 -1.34
+  155.0814 C7H11N2O2+ 1 155.0815 -0.5
+  156.1242 C6H14N5+ 1 156.1244 -1.29
+  157.1084 C6H13N4O+ 1 157.1084 0.07
+  163.1114 C11H15O+ 1 163.1117 -1.81
+  174.1344 C6H16N5O+ 3 174.1349 -2.87
+  195.0758 C9H11N2O3+ 2 195.0764 -3.13
+  200.1133 C6H18NO6+ 3 200.1129 2.14
+  213.0859 C7H11N5O3+ 2 213.0856 1.32
+  230.1126 C7H14N6O3+ 2 230.1122 1.8
+  239.0659 C9H5N9+ 3 239.0662 -1.53
+  254.1233 C8H14N8O2+ 3 254.1234 -0.45
+  255.1076 C9H19O8+ 3 255.1074 0.71
+  271.1502 C9H23N2O7+ 3 271.15 0.91
+  375.1902 C18H25N5O4+ 7 375.1901 0.16
+  383.1907 C15H25N7O5+ 5 383.1912 -1.11
+  446.2273 C22H26N10O+ 6 446.2286 -2.87
+  539.2914 C35H35N6+ 9 539.2918 -0.76
+  556.3192 C37H40N4O+ 10 556.3197 -0.74
+  847.4674 C39H63N10O11+ 3 847.4672 0.15
+  851.5158 C48H67N8O6+ 5 851.5178 -2.4
+  909.5565 C46H73N10O9+ 1 909.5557 0.94
+  936.5195 C47H70N9O11+ 1 936.5189 0.66
+  953.5457 C47H73N10O11+ 1 953.5455 0.22
+  981.5407 C48H73N10O12+ 1 981.5404 0.32
+PK$NUM_PEAK: 31
+PK$PEAK: m/z int. rel.int.
+  103.054 43092.4 22
+  107.0854 197891.7 102
+  109.0613 92754.1 48
+  112.0869 159044.1 82
+  127.0866 138493.9 71
+  135.0804 594342.6 307
+  135.1166 234251 121
+  155.0814 207379.6 107
+  156.1242 90522.4 46
+  157.1084 213561.5 110
+  163.1114 285461.9 147
+  174.1344 331984.3 171
+  195.0758 52823.3 27
+  200.1133 96415.2 49
+  213.0859 407470.1 210
+  230.1126 98146.1 50
+  239.0659 57157.2 29
+  254.1233 41333.2 21
+  255.1076 119671.6 61
+  271.1502 168243.8 87
+  375.1902 394673.9 204
+  383.1907 63844.8 33
+  446.2273 118323.4 61
+  539.2914 218718 113
+  556.3192 144826.4 74
+  847.4674 138831.5 71
+  851.5158 95927.5 49
+  909.5565 143440 74
+  936.5195 73965.8 38
+  953.5457 416864.1 215
+  981.5407 1930002.6 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED195306.txt b/Eawag/MSBNK-EAWAG-ED195306.txt
new file mode 100644
index 0000000000..a00cfff3fd
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED195306.txt
@@ -0,0 +1,105 @@
+ACCESSION: MSBNK-EAWAG-ED195306
+RECORD_TITLE: [D-Asp3]MC-LR; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], V. Rouge [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1953
+CH$NAME: [D-Asp3]MC-LR
+CH$NAME: Toxin II, cyanobacterium
+CH$NAME: (5R,8S,11R,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,19-trimethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C48H72N10O12
+CH$EXACT_MASS: 980.5331177
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)C[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C48H72N10O12/c1-26(2)22-36-45(65)57-37(47(68)69)25-39(59)53-34(16-13-21-51-48(49)50)44(64)54-33(18-17-27(3)23-28(4)38(70-9)24-32-14-11-10-12-15-32)29(5)41(61)55-35(46(66)67)19-20-40(60)58(8)31(7)43(63)52-30(6)42(62)56-36/h10-12,14-15,17-18,23,26,28-30,33-38H,7,13,16,19-22,24-25H2,1-6,8-9H3,(H,52,63)(H,53,59)(H,54,64)(H,55,61)(H,56,62)(H,57,65)(H,66,67)(H,68,69)(H4,49,50,51)/b18-17+,27-23+/t28-,29-,30+,33-,34-,35+,36-,37+,38-/m0/s1
+CH$LINK: CAS 120011-66-7
+CH$LINK: CHEBI 220610
+CH$LINK: PUBCHEM CID:6440025
+CH$LINK: INCHIKEY VYEBKSHVYPDMQQ-MREVJOSWSA-N
+CH$LINK: CHEMSPIDER 4944354
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 102-1022
+AC$CHROMATOGRAPHY: COLUMN_NAME Acwuity UPLC HSS T3 1.8um, 3x100mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 85/15 at 0 min, 0/100 at 21 min, 0/100 at 25 min, 2/98 at 25.1 min, 2/98 at 31 min, 85/15 at 31.1 min, 85/15 at 33 min
+AC$CHROMATOGRAPHY: FLOW_RATE 300 uL/min at 0 min, 650 uL/min at 25.1 min, 300 uL/min at 31.1 min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.774 min
+MS$FOCUSED_ION: BASE_PEAK 491.2715
+MS$FOCUSED_ION: PRECURSOR_M/Z 981.5404
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-06ri-0930000000-7b2e4a20d2f49a75912b
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  103.0542 C8H7+ 1 103.0542 -0.29
+  105.0699 C8H9+ 1 105.0699 -0.16
+  107.0855 C8H11+ 1 107.0855 -0.07
+  112.087 C5H10N3+ 1 112.0869 0.51
+  115.0866 C5H11N2O+ 1 115.0866 0.36
+  127.0866 C6H11N2O+ 1 127.0866 -0.15
+  135.0805 C9H11O+ 1 135.0804 0.08
+  135.1166 C10H15+ 1 135.1168 -1.34
+  138.0553 C7H8NO2+ 1 138.055 2.41
+  139.0981 C6H11N4+ 1 139.0978 1.83
+  140.0818 C6H10N3O+ 1 140.0818 -0.31
+  155.0815 C7H11N2O2+ 1 155.0815 -0.1
+  156.1245 C6H14N5+ 1 156.1244 0.67
+  157.1086 C6H13N4O+ 1 157.1084 1.43
+  163.1115 C11H15O+ 1 163.1117 -1.35
+  167.0815 C8H11N2O2+ 1 167.0815 -0.17
+  174.1346 C6H16N5O+ 1 174.1349 -1.91
+  195.076 C9H11N2O3+ 2 195.0764 -2.11
+  200.1134 C6H18NO6+ 3 200.1129 2.75
+  213.086 C7H11N5O3+ 2 213.0856 1.9
+  218.1527 C12H18N4+ 1 218.1526 0.42
+  230.1128 C7H14N6O3+ 2 230.1122 2.8
+  237.1626 CH25N4O9+ 4 237.1616 4.27
+  239.0661 C9H5N9+ 3 239.0662 -0.7
+  255.1076 C9H19O8+ 3 255.1074 0.53
+  258.1842 CH24N9O6+ 5 258.1844 -0.75
+  271.1499 C8H17N9O2+ 3 271.15 -0.2
+  272.1343 C9H22NO8+ 3 272.134 1.12
+  289.161 C9H25N2O8+ 3 289.1605 1.62
+  375.1897 C18H25N5O4+ 6 375.1901 -0.98
+PK$NUM_PEAK: 30
+PK$PEAK: m/z int. rel.int.
+  103.0542 122618.5 116
+  105.0699 111483.4 105
+  107.0855 393815.8 372
+  112.087 255294.5 241
+  115.0866 119860.3 113
+  127.0866 272855.9 258
+  135.0805 1055002.9 999
+  135.1166 379797.9 359
+  138.0553 44588.1 42
+  139.0981 30683.7 29
+  140.0818 36125.6 34
+  155.0815 365251.4 345
+  156.1245 90863.2 86
+  157.1086 264275.1 250
+  163.1115 315969.9 299
+  167.0815 79686.7 75
+  174.1346 273779.4 259
+  195.076 100958 95
+  200.1134 156038.2 147
+  213.086 508765.7 481
+  218.1527 45492 43
+  230.1128 94868.6 89
+  237.1626 73752.9 69
+  239.0661 97656.9 92
+  255.1076 148884.5 140
+  258.1842 48900.8 46
+  271.1499 129438.8 122
+  272.1343 186357.5 176
+  289.161 116083.4 109
+  375.1897 231614.6 219
+//
diff --git a/Eawag/MSBNK-EAWAG-ED195307.txt b/Eawag/MSBNK-EAWAG-ED195307.txt
new file mode 100644
index 0000000000..96aed2aac9
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED195307.txt
@@ -0,0 +1,101 @@
+ACCESSION: MSBNK-EAWAG-ED195307
+RECORD_TITLE: [D-Asp3]MC-LR; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], V. Rouge [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1953
+CH$NAME: [D-Asp3]MC-LR
+CH$NAME: Toxin II, cyanobacterium
+CH$NAME: (5R,8S,11R,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,19-trimethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C48H72N10O12
+CH$EXACT_MASS: 980.5331177
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)C[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C48H72N10O12/c1-26(2)22-36-45(65)57-37(47(68)69)25-39(59)53-34(16-13-21-51-48(49)50)44(64)54-33(18-17-27(3)23-28(4)38(70-9)24-32-14-11-10-12-15-32)29(5)41(61)55-35(46(66)67)19-20-40(60)58(8)31(7)43(63)52-30(6)42(62)56-36/h10-12,14-15,17-18,23,26,28-30,33-38H,7,13,16,19-22,24-25H2,1-6,8-9H3,(H,52,63)(H,53,59)(H,54,64)(H,55,61)(H,56,62)(H,57,65)(H,66,67)(H,68,69)(H4,49,50,51)/b18-17+,27-23+/t28-,29-,30+,33-,34-,35+,36-,37+,38-/m0/s1
+CH$LINK: CAS 120011-66-7
+CH$LINK: CHEBI 220610
+CH$LINK: PUBCHEM CID:6440025
+CH$LINK: INCHIKEY VYEBKSHVYPDMQQ-MREVJOSWSA-N
+CH$LINK: CHEMSPIDER 4944354
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 102-1022
+AC$CHROMATOGRAPHY: COLUMN_NAME Acwuity UPLC HSS T3 1.8um, 3x100mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 85/15 at 0 min, 0/100 at 21 min, 0/100 at 25 min, 2/98 at 25.1 min, 2/98 at 31 min, 85/15 at 31.1 min, 85/15 at 33 min
+AC$CHROMATOGRAPHY: FLOW_RATE 300 uL/min at 0 min, 650 uL/min at 25.1 min, 300 uL/min at 31.1 min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.774 min
+MS$FOCUSED_ION: BASE_PEAK 491.2715
+MS$FOCUSED_ION: PRECURSOR_M/Z 981.5404
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-052r-0910000000-a799def8b3fb0adf7ce2
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  103.0542 C8H7+ 1 103.0542 -0.36
+  105.0698 C8H9+ 1 105.0699 -0.6
+  107.0855 C8H11+ 1 107.0855 -0.71
+  112.0868 C5H10N3+ 1 112.0869 -0.92
+  113.0708 C5H9N2O+ 1 113.0709 -1.6
+  114.1027 C5H12N3+ 1 114.1026 1.04
+  115.0544 C9H7+ 1 115.0542 1.28
+  115.0866 C5H11N2O+ 1 115.0866 -0.23
+  117.0697 C9H9+ 1 117.0699 -1.49
+  127.0865 C6H11N2O+ 1 127.0866 -0.81
+  130.0499 C5H8NO3+ 1 130.0499 0.05
+  135.0804 C9H11O+ 1 135.0804 -0.37
+  135.1166 C10H15+ 1 135.1168 -1.9
+  138.0548 C7H8NO2+ 1 138.055 -1.35
+  140.0817 C6H10N3O+ 1 140.0818 -1.18
+  155.0813 C7H11N2O2+ 1 155.0815 -1.28
+  157.1086 C6H13N4O+ 1 157.1084 1.23
+  158.0922 C6H12N3O2+ 1 158.0924 -1.49
+  163.1116 C11H15O+ 1 163.1117 -0.97
+  167.0814 C8H11N2O2+ 1 167.0815 -0.9
+  174.1344 C6H16N5O+ 3 174.1349 -2.87
+  175.1184 C6H15N4O2+ 3 175.119 -2.9
+  184.1074 C8H14N3O2+ 2 184.1081 -3.33
+  200.1135 C6H18NO6+ 3 200.1129 3.28
+  213.0859 C7H11N5O3+ 2 213.0856 1.39
+  239.0651 C9H5N9+ 3 239.0662 -4.85
+  255.1068 C8H13N7O3+ 4 255.1074 -2.32
+  271.1496 C8H17N9O2+ 3 271.15 -1.32
+PK$NUM_PEAK: 28
+PK$PEAK: m/z int. rel.int.
+  103.0542 364573.1 292
+  105.0698 332073.8 266
+  107.0855 611475.2 491
+  112.0868 285597.9 229
+  113.0708 54099 43
+  114.1027 45970.8 36
+  115.0544 54430 43
+  115.0866 180280.8 144
+  117.0697 142571.8 114
+  127.0865 619156.5 497
+  130.0499 34027.9 27
+  135.0804 1243622.1 999
+  135.1166 442673.9 355
+  138.0548 67690.9 54
+  140.0817 87365 70
+  155.0813 350852.3 281
+  157.1086 206489.9 165
+  158.0922 54875.6 44
+  163.1116 202597.7 162
+  167.0814 131861.3 105
+  174.1344 120680.5 96
+  175.1184 38556.1 30
+  184.1074 44860.4 36
+  200.1135 122741.5 98
+  213.0859 430068.7 345
+  239.0651 79407.6 63
+  255.1068 74396.9 59
+  271.1496 34876.8 28
+//
diff --git a/Eawag/MSBNK-EAWAG-ED195308.txt b/Eawag/MSBNK-EAWAG-ED195308.txt
new file mode 100644
index 0000000000..c5e293c928
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED195308.txt
@@ -0,0 +1,79 @@
+ACCESSION: MSBNK-EAWAG-ED195308
+RECORD_TITLE: [D-Asp3]MC-LR; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], V. Rouge [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1953
+CH$NAME: [D-Asp3]MC-LR
+CH$NAME: Toxin II, cyanobacterium
+CH$NAME: (5R,8S,11R,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,19-trimethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C48H72N10O12
+CH$EXACT_MASS: 980.5331177
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)C[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C48H72N10O12/c1-26(2)22-36-45(65)57-37(47(68)69)25-39(59)53-34(16-13-21-51-48(49)50)44(64)54-33(18-17-27(3)23-28(4)38(70-9)24-32-14-11-10-12-15-32)29(5)41(61)55-35(46(66)67)19-20-40(60)58(8)31(7)43(63)52-30(6)42(62)56-36/h10-12,14-15,17-18,23,26,28-30,33-38H,7,13,16,19-22,24-25H2,1-6,8-9H3,(H,52,63)(H,53,59)(H,54,64)(H,55,61)(H,56,62)(H,57,65)(H,66,67)(H,68,69)(H4,49,50,51)/b18-17+,27-23+/t28-,29-,30+,33-,34-,35+,36-,37+,38-/m0/s1
+CH$LINK: CAS 120011-66-7
+CH$LINK: CHEBI 220610
+CH$LINK: PUBCHEM CID:6440025
+CH$LINK: INCHIKEY VYEBKSHVYPDMQQ-MREVJOSWSA-N
+CH$LINK: CHEMSPIDER 4944354
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 102-1022
+AC$CHROMATOGRAPHY: COLUMN_NAME Acwuity UPLC HSS T3 1.8um, 3x100mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 85/15 at 0 min, 0/100 at 21 min, 0/100 at 25 min, 2/98 at 25.1 min, 2/98 at 31 min, 85/15 at 31.1 min, 85/15 at 33 min
+AC$CHROMATOGRAPHY: FLOW_RATE 300 uL/min at 0 min, 650 uL/min at 25.1 min, 300 uL/min at 31.1 min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.774 min
+MS$FOCUSED_ION: BASE_PEAK 491.2715
+MS$FOCUSED_ION: PRECURSOR_M/Z 981.5404
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0pdr-0900000000-b27a3c5e3bedd3b4b600
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  103.0542 C8H7+ 1 103.0542 0.16
+  105.0698 C8H9+ 1 105.0699 -0.38
+  107.0855 C8H11+ 1 107.0855 -0.28
+  112.0868 C5H10N3+ 1 112.0869 -0.92
+  115.0544 C9H7+ 1 115.0542 1.15
+  115.0867 C5H11N2O+ 1 115.0866 0.56
+  117.0698 C9H9+ 1 117.0699 -0.32
+  127.0865 C6H11N2O+ 1 127.0866 -0.75
+  135.0804 C9H11O+ 1 135.0804 -0.14
+  135.1166 C10H15+ 1 135.1168 -1.9
+  140.0821 C6H10N3O+ 1 140.0818 1.76
+  141.0659 C6H9N2O2+ 1 141.0659 0.38
+  155.0815 C7H11N2O2+ 1 155.0815 -0.3
+  157.1087 C6H13N4O+ 1 157.1084 1.72
+  163.1113 C11H15O+ 1 163.1117 -2.94
+  167.0812 C8H11N2O2+ 1 167.0815 -1.9
+  213.0861 C7H11N5O3+ 2 213.0856 2.04
+PK$NUM_PEAK: 17
+PK$PEAK: m/z int. rel.int.
+  103.0542 718651.6 772
+  105.0698 503588.8 541
+  107.0855 678268.1 729
+  112.0868 260979.2 280
+  115.0544 94994.1 102
+  115.0867 185526.8 199
+  117.0698 220503.5 237
+  127.0865 738919 794
+  135.0804 929420.1 999
+  135.1166 308666.8 331
+  140.0821 53384.9 57
+  141.0659 71007.7 76
+  155.0815 193607.2 208
+  157.1087 108815 116
+  163.1113 73689.7 79
+  167.0812 170546.2 183
+  213.0861 235460 253
+//
diff --git a/Eawag/MSBNK-EAWAG-ED195309.txt b/Eawag/MSBNK-EAWAG-ED195309.txt
new file mode 100644
index 0000000000..de507ea239
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED195309.txt
@@ -0,0 +1,75 @@
+ACCESSION: MSBNK-EAWAG-ED195309
+RECORD_TITLE: [D-Asp3]MC-LR; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], V. Rouge [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1953
+CH$NAME: [D-Asp3]MC-LR
+CH$NAME: Toxin II, cyanobacterium
+CH$NAME: (5R,8S,11R,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,19-trimethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C48H72N10O12
+CH$EXACT_MASS: 980.5331177
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)C[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C48H72N10O12/c1-26(2)22-36-45(65)57-37(47(68)69)25-39(59)53-34(16-13-21-51-48(49)50)44(64)54-33(18-17-27(3)23-28(4)38(70-9)24-32-14-11-10-12-15-32)29(5)41(61)55-35(46(66)67)19-20-40(60)58(8)31(7)43(63)52-30(6)42(62)56-36/h10-12,14-15,17-18,23,26,28-30,33-38H,7,13,16,19-22,24-25H2,1-6,8-9H3,(H,52,63)(H,53,59)(H,54,64)(H,55,61)(H,56,62)(H,57,65)(H,66,67)(H,68,69)(H4,49,50,51)/b18-17+,27-23+/t28-,29-,30+,33-,34-,35+,36-,37+,38-/m0/s1
+CH$LINK: CAS 120011-66-7
+CH$LINK: CHEBI 220610
+CH$LINK: PUBCHEM CID:6440025
+CH$LINK: INCHIKEY VYEBKSHVYPDMQQ-MREVJOSWSA-N
+CH$LINK: CHEMSPIDER 4944354
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 102-1022
+AC$CHROMATOGRAPHY: COLUMN_NAME Acwuity UPLC HSS T3 1.8um, 3x100mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 85/15 at 0 min, 0/100 at 21 min, 0/100 at 25 min, 2/98 at 25.1 min, 2/98 at 31 min, 85/15 at 31.1 min, 85/15 at 33 min
+AC$CHROMATOGRAPHY: FLOW_RATE 300 uL/min at 0 min, 650 uL/min at 25.1 min, 300 uL/min at 31.1 min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.774 min
+MS$FOCUSED_ION: BASE_PEAK 491.2715
+MS$FOCUSED_ION: PRECURSOR_M/Z 981.5404
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0pxr-0900000000-e309fcd2894a3c13c5ff
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  103.0542 C8H7+ 1 103.0542 0.08
+  105.0699 C8H9+ 1 105.0699 -0.16
+  107.0855 C8H11+ 1 107.0855 -0.21
+  112.0869 C5H10N3+ 1 112.0869 -0.1
+  115.0544 C9H7+ 1 115.0542 1.42
+  115.0866 C5H11N2O+ 1 115.0866 0.43
+  117.0699 C9H9+ 1 117.0699 -0.19
+  127.0865 C6H11N2O+ 1 127.0866 -0.39
+  135.0805 C9H11O+ 1 135.0804 0.2
+  135.1165 C10H15+ 1 135.1168 -2.24
+  141.0659 C6H9N2O2+ 1 141.0659 0.48
+  155.0815 C7H11N2O2+ 1 155.0815 -0.3
+  167.0813 C8H11N2O2+ 1 167.0815 -1.08
+  195.076 C9H11N2O3+ 2 195.0764 -2.35
+  213.0855 C7H11N5O3+ 1 213.0856 -0.54
+PK$NUM_PEAK: 15
+PK$PEAK: m/z int. rel.int.
+  103.0542 1177389.4 999
+  105.0699 646869.2 548
+  107.0855 576072.1 488
+  112.0869 202079.9 171
+  115.0544 156841.6 133
+  115.0866 144522.5 122
+  117.0699 227591.7 193
+  127.0865 674581.6 572
+  135.0805 457059.7 387
+  135.1165 130240.9 110
+  141.0659 71944.3 61
+  155.0815 58567.2 49
+  167.0813 161928.7 137
+  195.076 71931.3 61
+  213.0855 83215.5 70
+//
diff --git a/Eawag/MSBNK-EAWAG-ED195351.txt b/Eawag/MSBNK-EAWAG-ED195351.txt
new file mode 100644
index 0000000000..153a93b218
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED195351.txt
@@ -0,0 +1,49 @@
+ACCESSION: MSBNK-EAWAG-ED195351
+RECORD_TITLE: [D-Asp3]MC-LR; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], V. Rouge [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1953
+CH$NAME: [D-Asp3]MC-LR
+CH$NAME: Toxin II, cyanobacterium
+CH$NAME: (5R,8S,11R,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,19-trimethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C48H72N10O12
+CH$EXACT_MASS: 980.5331177
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)C[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C48H72N10O12/c1-26(2)22-36-45(65)57-37(47(68)69)25-39(59)53-34(16-13-21-51-48(49)50)44(64)54-33(18-17-27(3)23-28(4)38(70-9)24-32-14-11-10-12-15-32)29(5)41(61)55-35(46(66)67)19-20-40(60)58(8)31(7)43(63)52-30(6)42(62)56-36/h10-12,14-15,17-18,23,26,28-30,33-38H,7,13,16,19-22,24-25H2,1-6,8-9H3,(H,52,63)(H,53,59)(H,54,64)(H,55,61)(H,56,62)(H,57,65)(H,66,67)(H,68,69)(H4,49,50,51)/b18-17+,27-23+/t28-,29-,30+,33-,34-,35+,36-,37+,38-/m0/s1
+CH$LINK: CAS 120011-66-7
+CH$LINK: CHEBI 220610
+CH$LINK: PUBCHEM CID:6440025
+CH$LINK: INCHIKEY VYEBKSHVYPDMQQ-MREVJOSWSA-N
+CH$LINK: CHEMSPIDER 4944354
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 101-1020
+AC$CHROMATOGRAPHY: COLUMN_NAME Acwuity UPLC HSS T3 1.8um, 3x100mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 85/15 at 0 min, 0/100 at 21 min, 0/100 at 25 min, 2/98 at 25.1 min, 2/98 at 31 min, 85/15 at 31.1 min, 85/15 at 33 min
+AC$CHROMATOGRAPHY: FLOW_RATE 300 uL/min at 0 min, 650 uL/min at 25.1 min, 300 uL/min at 31.1 min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.794 min
+MS$FOCUSED_ION: BASE_PEAK 979.5268
+MS$FOCUSED_ION: PRECURSOR_M/Z 979.5258
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-004i-0000000009-6623c3172dd26d6f595d
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  961.5169 C48H69N10O11- 1 961.5153 1.66
+  979.5257 C48H71N10O12- 1 979.5258 -0.16
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  961.5169 114103.7 10
+  979.5257 11322111 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED195352.txt b/Eawag/MSBNK-EAWAG-ED195352.txt
new file mode 100644
index 0000000000..09256114f4
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED195352.txt
@@ -0,0 +1,49 @@
+ACCESSION: MSBNK-EAWAG-ED195352
+RECORD_TITLE: [D-Asp3]MC-LR; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], V. Rouge [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1953
+CH$NAME: [D-Asp3]MC-LR
+CH$NAME: Toxin II, cyanobacterium
+CH$NAME: (5R,8S,11R,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,19-trimethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C48H72N10O12
+CH$EXACT_MASS: 980.5331177
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)C[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C48H72N10O12/c1-26(2)22-36-45(65)57-37(47(68)69)25-39(59)53-34(16-13-21-51-48(49)50)44(64)54-33(18-17-27(3)23-28(4)38(70-9)24-32-14-11-10-12-15-32)29(5)41(61)55-35(46(66)67)19-20-40(60)58(8)31(7)43(63)52-30(6)42(62)56-36/h10-12,14-15,17-18,23,26,28-30,33-38H,7,13,16,19-22,24-25H2,1-6,8-9H3,(H,52,63)(H,53,59)(H,54,64)(H,55,61)(H,56,62)(H,57,65)(H,66,67)(H,68,69)(H4,49,50,51)/b18-17+,27-23+/t28-,29-,30+,33-,34-,35+,36-,37+,38-/m0/s1
+CH$LINK: CAS 120011-66-7
+CH$LINK: CHEBI 220610
+CH$LINK: PUBCHEM CID:6440025
+CH$LINK: INCHIKEY VYEBKSHVYPDMQQ-MREVJOSWSA-N
+CH$LINK: CHEMSPIDER 4944354
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 101-1020
+AC$CHROMATOGRAPHY: COLUMN_NAME Acwuity UPLC HSS T3 1.8um, 3x100mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 85/15 at 0 min, 0/100 at 21 min, 0/100 at 25 min, 2/98 at 25.1 min, 2/98 at 31 min, 85/15 at 31.1 min, 85/15 at 33 min
+AC$CHROMATOGRAPHY: FLOW_RATE 300 uL/min at 0 min, 650 uL/min at 25.1 min, 300 uL/min at 31.1 min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.794 min
+MS$FOCUSED_ION: BASE_PEAK 979.5268
+MS$FOCUSED_ION: PRECURSOR_M/Z 979.5258
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-004i-0000000009-e7716dadf41202ae2a43
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  961.5157 C48H69N10O11- 1 961.5153 0.39
+  979.5257 C48H71N10O12- 1 979.5258 -0.16
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  961.5157 1025617.6 98
+  979.5257 10394988 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED195353.txt b/Eawag/MSBNK-EAWAG-ED195353.txt
new file mode 100644
index 0000000000..c838297e06
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED195353.txt
@@ -0,0 +1,49 @@
+ACCESSION: MSBNK-EAWAG-ED195353
+RECORD_TITLE: [D-Asp3]MC-LR; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], V. Rouge [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1953
+CH$NAME: [D-Asp3]MC-LR
+CH$NAME: Toxin II, cyanobacterium
+CH$NAME: (5R,8S,11R,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,19-trimethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C48H72N10O12
+CH$EXACT_MASS: 980.5331177
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)C[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C48H72N10O12/c1-26(2)22-36-45(65)57-37(47(68)69)25-39(59)53-34(16-13-21-51-48(49)50)44(64)54-33(18-17-27(3)23-28(4)38(70-9)24-32-14-11-10-12-15-32)29(5)41(61)55-35(46(66)67)19-20-40(60)58(8)31(7)43(63)52-30(6)42(62)56-36/h10-12,14-15,17-18,23,26,28-30,33-38H,7,13,16,19-22,24-25H2,1-6,8-9H3,(H,52,63)(H,53,59)(H,54,64)(H,55,61)(H,56,62)(H,57,65)(H,66,67)(H,68,69)(H4,49,50,51)/b18-17+,27-23+/t28-,29-,30+,33-,34-,35+,36-,37+,38-/m0/s1
+CH$LINK: CAS 120011-66-7
+CH$LINK: CHEBI 220610
+CH$LINK: PUBCHEM CID:6440025
+CH$LINK: INCHIKEY VYEBKSHVYPDMQQ-MREVJOSWSA-N
+CH$LINK: CHEMSPIDER 4944354
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 101-1020
+AC$CHROMATOGRAPHY: COLUMN_NAME Acwuity UPLC HSS T3 1.8um, 3x100mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 85/15 at 0 min, 0/100 at 21 min, 0/100 at 25 min, 2/98 at 25.1 min, 2/98 at 31 min, 85/15 at 31.1 min, 85/15 at 33 min
+AC$CHROMATOGRAPHY: FLOW_RATE 300 uL/min at 0 min, 650 uL/min at 25.1 min, 300 uL/min at 31.1 min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.794 min
+MS$FOCUSED_ION: BASE_PEAK 979.5268
+MS$FOCUSED_ION: PRECURSOR_M/Z 979.5258
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-01t9-0000000009-f85f5d747f676b3ffa2a
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  961.5153 C48H69N10O11- 1 961.5153 0.08
+  979.5257 C48H71N10O12- 1 979.5258 -0.16
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  961.5153 3238686 535
+  979.5257 6042127.5 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED195354.txt b/Eawag/MSBNK-EAWAG-ED195354.txt
new file mode 100644
index 0000000000..cd5a29efb3
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED195354.txt
@@ -0,0 +1,57 @@
+ACCESSION: MSBNK-EAWAG-ED195354
+RECORD_TITLE: [D-Asp3]MC-LR; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], V. Rouge [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1953
+CH$NAME: [D-Asp3]MC-LR
+CH$NAME: Toxin II, cyanobacterium
+CH$NAME: (5R,8S,11R,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,19-trimethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C48H72N10O12
+CH$EXACT_MASS: 980.5331177
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)C[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C48H72N10O12/c1-26(2)22-36-45(65)57-37(47(68)69)25-39(59)53-34(16-13-21-51-48(49)50)44(64)54-33(18-17-27(3)23-28(4)38(70-9)24-32-14-11-10-12-15-32)29(5)41(61)55-35(46(66)67)19-20-40(60)58(8)31(7)43(63)52-30(6)42(62)56-36/h10-12,14-15,17-18,23,26,28-30,33-38H,7,13,16,19-22,24-25H2,1-6,8-9H3,(H,52,63)(H,53,59)(H,54,64)(H,55,61)(H,56,62)(H,57,65)(H,66,67)(H,68,69)(H4,49,50,51)/b18-17+,27-23+/t28-,29-,30+,33-,34-,35+,36-,37+,38-/m0/s1
+CH$LINK: CAS 120011-66-7
+CH$LINK: CHEBI 220610
+CH$LINK: PUBCHEM CID:6440025
+CH$LINK: INCHIKEY VYEBKSHVYPDMQQ-MREVJOSWSA-N
+CH$LINK: CHEMSPIDER 4944354
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 101-1020
+AC$CHROMATOGRAPHY: COLUMN_NAME Acwuity UPLC HSS T3 1.8um, 3x100mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 85/15 at 0 min, 0/100 at 21 min, 0/100 at 25 min, 2/98 at 25.1 min, 2/98 at 31 min, 85/15 at 31.1 min, 85/15 at 33 min
+AC$CHROMATOGRAPHY: FLOW_RATE 300 uL/min at 0 min, 650 uL/min at 25.1 min, 300 uL/min at 31.1 min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.794 min
+MS$FOCUSED_ION: BASE_PEAK 979.5268
+MS$FOCUSED_ION: PRECURSOR_M/Z 979.5258
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-03di-0000000009-de51bd5d40d1b6bba040
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  128.0353 C5H6NO3- 1 128.0353 -0.21
+  283.1768 C12H27O7- 3 283.1762 2.14
+  881.5255 C44H69N10O9- 3 881.5254 0.05
+  944.4851 C48H66N9O11- 1 944.4887 -3.89
+  961.5152 C48H69N10O11- 1 961.5153 -0.05
+  979.5253 C48H71N10O12- 1 979.5258 -0.6
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  128.0353 249799.4 54
+  283.1768 133522.9 28
+  881.5255 266484 57
+  944.4851 152420.3 33
+  961.5152 4610893.5 999
+  979.5253 1899091.4 411
+//
diff --git a/Eawag/MSBNK-EAWAG-ED195355.txt b/Eawag/MSBNK-EAWAG-ED195355.txt
new file mode 100644
index 0000000000..a5d4481d0b
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED195355.txt
@@ -0,0 +1,69 @@
+ACCESSION: MSBNK-EAWAG-ED195355
+RECORD_TITLE: [D-Asp3]MC-LR; LC-ESI-QFT; MS2; CE: 35%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], V. Rouge [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1953
+CH$NAME: [D-Asp3]MC-LR
+CH$NAME: Toxin II, cyanobacterium
+CH$NAME: (5R,8S,11R,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,19-trimethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C48H72N10O12
+CH$EXACT_MASS: 980.5331177
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)C[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C48H72N10O12/c1-26(2)22-36-45(65)57-37(47(68)69)25-39(59)53-34(16-13-21-51-48(49)50)44(64)54-33(18-17-27(3)23-28(4)38(70-9)24-32-14-11-10-12-15-32)29(5)41(61)55-35(46(66)67)19-20-40(60)58(8)31(7)43(63)52-30(6)42(62)56-36/h10-12,14-15,17-18,23,26,28-30,33-38H,7,13,16,19-22,24-25H2,1-6,8-9H3,(H,52,63)(H,53,59)(H,54,64)(H,55,61)(H,56,62)(H,57,65)(H,66,67)(H,68,69)(H4,49,50,51)/b18-17+,27-23+/t28-,29-,30+,33-,34-,35+,36-,37+,38-/m0/s1
+CH$LINK: CAS 120011-66-7
+CH$LINK: CHEBI 220610
+CH$LINK: PUBCHEM CID:6440025
+CH$LINK: INCHIKEY VYEBKSHVYPDMQQ-MREVJOSWSA-N
+CH$LINK: CHEMSPIDER 4944354
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 35 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 101-1020
+AC$CHROMATOGRAPHY: COLUMN_NAME Acwuity UPLC HSS T3 1.8um, 3x100mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 85/15 at 0 min, 0/100 at 21 min, 0/100 at 25 min, 2/98 at 25.1 min, 2/98 at 31 min, 85/15 at 31.1 min, 85/15 at 33 min
+AC$CHROMATOGRAPHY: FLOW_RATE 300 uL/min at 0 min, 650 uL/min at 25.1 min, 300 uL/min at 31.1 min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.794 min
+MS$FOCUSED_ION: BASE_PEAK 979.5268
+MS$FOCUSED_ION: PRECURSOR_M/Z 979.5258
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-03fr-0320000009-82b70a4df561be75a289
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  124.0405 C6H6NO2- 1 124.0404 0.94
+  128.0353 C5H6NO3- 1 128.0353 -0.33
+  153.0666 C7H9N2O2- 1 153.067 -2.2
+  211.0712 C7H9N5O3- 1 211.0711 0.62
+  265.1662 C12H25O6- 3 265.1657 1.88
+  283.1764 C12H27O7- 3 283.1762 0.74
+  311.1713 C13H27O8- 5 311.1711 0.37
+  881.5253 C44H69N10O9- 3 881.5254 -0.15
+  935.5358 C47H71N10O10- 1 935.536 -0.21
+  944.4923 C48H66N9O11- 1 944.4887 3.74
+  961.515 C48H69N10O11- 1 961.5153 -0.31
+  979.5254 C48H71N10O12- 1 979.5258 -0.41
+PK$NUM_PEAK: 12
+PK$PEAK: m/z int. rel.int.
+  124.0405 39640.2 20
+  128.0353 829421.6 425
+  153.0666 30452.9 15
+  211.0712 34161.8 17
+  265.1662 155570.7 79
+  283.1764 366012.2 187
+  311.1713 103877.8 53
+  881.5253 162028.1 83
+  935.5358 104518 53
+  944.4923 111112.3 56
+  961.515 1949602.4 999
+  979.5254 203970.2 104
+//
diff --git a/Eawag/MSBNK-EAWAG-ED195356.txt b/Eawag/MSBNK-EAWAG-ED195356.txt
new file mode 100644
index 0000000000..4528b53d32
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED195356.txt
@@ -0,0 +1,69 @@
+ACCESSION: MSBNK-EAWAG-ED195356
+RECORD_TITLE: [D-Asp3]MC-LR; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], V. Rouge [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1953
+CH$NAME: [D-Asp3]MC-LR
+CH$NAME: Toxin II, cyanobacterium
+CH$NAME: (5R,8S,11R,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,19-trimethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C48H72N10O12
+CH$EXACT_MASS: 980.5331177
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)C[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C48H72N10O12/c1-26(2)22-36-45(65)57-37(47(68)69)25-39(59)53-34(16-13-21-51-48(49)50)44(64)54-33(18-17-27(3)23-28(4)38(70-9)24-32-14-11-10-12-15-32)29(5)41(61)55-35(46(66)67)19-20-40(60)58(8)31(7)43(63)52-30(6)42(62)56-36/h10-12,14-15,17-18,23,26,28-30,33-38H,7,13,16,19-22,24-25H2,1-6,8-9H3,(H,52,63)(H,53,59)(H,54,64)(H,55,61)(H,56,62)(H,57,65)(H,66,67)(H,68,69)(H4,49,50,51)/b18-17+,27-23+/t28-,29-,30+,33-,34-,35+,36-,37+,38-/m0/s1
+CH$LINK: CAS 120011-66-7
+CH$LINK: CHEBI 220610
+CH$LINK: PUBCHEM CID:6440025
+CH$LINK: INCHIKEY VYEBKSHVYPDMQQ-MREVJOSWSA-N
+CH$LINK: CHEMSPIDER 4944354
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 101-1020
+AC$CHROMATOGRAPHY: COLUMN_NAME Acwuity UPLC HSS T3 1.8um, 3x100mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 85/15 at 0 min, 0/100 at 21 min, 0/100 at 25 min, 2/98 at 25.1 min, 2/98 at 31 min, 85/15 at 31.1 min, 85/15 at 33 min
+AC$CHROMATOGRAPHY: FLOW_RATE 300 uL/min at 0 min, 650 uL/min at 25.1 min, 300 uL/min at 31.1 min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.794 min
+MS$FOCUSED_ION: BASE_PEAK 979.5268
+MS$FOCUSED_ION: PRECURSOR_M/Z 979.5258
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-004i-0950000001-ba61cfe430f1fb057dd6
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  124.0403 C6H6NO2- 1 124.0404 -0.6
+  128.0353 C5H6NO3- 1 128.0353 0.03
+  139.0879 C7H11N2O- 1 139.0877 1.33
+  153.0667 C7H9N2O2- 1 153.067 -1.6
+  155.0821 C7H11N2O2- 1 155.0826 -3.09
+  165.1029 C9H13N2O- 1 165.1033 -2.77
+  167.0819 C8H11N2O2- 2 167.0826 -4.38
+  240.1345 C9H16N6O2- 2 240.134 1.87
+  265.1658 C12H25O6- 3 265.1657 0.61
+  283.1763 C12H27O7- 3 283.1762 0.31
+  311.1718 C13H27O8- 4 311.1711 2.13
+  961.516 C48H69N10O11- 1 961.5153 0.77
+PK$NUM_PEAK: 12
+PK$PEAK: m/z int. rel.int.
+  124.0403 79444.5 67
+  128.0353 1173069 999
+  139.0879 39794.5 33
+  153.0667 87432.8 74
+  155.0821 31409 26
+  165.1029 61145.5 52
+  167.0819 48584.4 41
+  240.1345 28250.2 24
+  265.1658 384701.1 327
+  283.1763 437019.2 372
+  311.1718 98975.5 84
+  961.516 313284.2 266
+//
diff --git a/Eawag/MSBNK-EAWAG-ED195357.txt b/Eawag/MSBNK-EAWAG-ED195357.txt
new file mode 100644
index 0000000000..b42dab37ae
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED195357.txt
@@ -0,0 +1,75 @@
+ACCESSION: MSBNK-EAWAG-ED195357
+RECORD_TITLE: [D-Asp3]MC-LR; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], V. Rouge [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1953
+CH$NAME: [D-Asp3]MC-LR
+CH$NAME: Toxin II, cyanobacterium
+CH$NAME: (5R,8S,11R,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,19-trimethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C48H72N10O12
+CH$EXACT_MASS: 980.5331177
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)C[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C48H72N10O12/c1-26(2)22-36-45(65)57-37(47(68)69)25-39(59)53-34(16-13-21-51-48(49)50)44(64)54-33(18-17-27(3)23-28(4)38(70-9)24-32-14-11-10-12-15-32)29(5)41(61)55-35(46(66)67)19-20-40(60)58(8)31(7)43(63)52-30(6)42(62)56-36/h10-12,14-15,17-18,23,26,28-30,33-38H,7,13,16,19-22,24-25H2,1-6,8-9H3,(H,52,63)(H,53,59)(H,54,64)(H,55,61)(H,56,62)(H,57,65)(H,66,67)(H,68,69)(H4,49,50,51)/b18-17+,27-23+/t28-,29-,30+,33-,34-,35+,36-,37+,38-/m0/s1
+CH$LINK: CAS 120011-66-7
+CH$LINK: CHEBI 220610
+CH$LINK: PUBCHEM CID:6440025
+CH$LINK: INCHIKEY VYEBKSHVYPDMQQ-MREVJOSWSA-N
+CH$LINK: CHEMSPIDER 4944354
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 101-1020
+AC$CHROMATOGRAPHY: COLUMN_NAME Acwuity UPLC HSS T3 1.8um, 3x100mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 85/15 at 0 min, 0/100 at 21 min, 0/100 at 25 min, 2/98 at 25.1 min, 2/98 at 31 min, 85/15 at 31.1 min, 85/15 at 33 min
+AC$CHROMATOGRAPHY: FLOW_RATE 300 uL/min at 0 min, 650 uL/min at 25.1 min, 300 uL/min at 31.1 min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.794 min
+MS$FOCUSED_ION: BASE_PEAK 979.5268
+MS$FOCUSED_ION: PRECURSOR_M/Z 979.5258
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-00or-0930000000-efb81619b1e089e035b9
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  113.0358 C4H5N2O2- 1 113.0357 1.02
+  124.0402 C6H6NO2- 1 124.0404 -1.33
+  127.0516 C5H7N2O2- 1 127.0513 2.59
+  128.0353 C5H6NO3- 1 128.0353 0.03
+  129.1034 C6H13N2O- 1 129.1033 0.65
+  139.0876 C7H11N2O- 1 139.0877 -0.75
+  153.0664 C7H9N2O2- 1 153.067 -3.6
+  165.1029 C9H13N2O- 1 165.1033 -2.86
+  167.0823 C8H11N2O2- 1 167.0826 -1.74
+  180.1133 C7H12N6- 1 180.1129 2.27
+  182.1294 C7H14N6- 2 182.1285 4.67
+  183.1132 C7H13N5O- 2 183.1126 3.64
+  200.1395 C7H16N6O- 2 200.1391 1.83
+  212.1401 C8H16N6O- 2 212.1391 4.53
+  265.1658 C12H25O6- 3 265.1657 0.61
+PK$NUM_PEAK: 15
+PK$PEAK: m/z int. rel.int.
+  113.0358 26480.8 40
+  124.0402 69680.8 105
+  127.0516 14435.1 21
+  128.0353 658050.6 999
+  129.1034 100700.2 152
+  139.0876 84790.2 128
+  153.0664 101146.3 153
+  165.1029 137876.6 209
+  167.0823 69470 105
+  180.1133 69043.7 104
+  182.1294 126500.2 192
+  183.1132 27603.6 41
+  200.1395 132783.9 201
+  212.1401 18225.9 27
+  265.1658 348081.6 528
+//
diff --git a/Eawag/MSBNK-EAWAG-ED195358.txt b/Eawag/MSBNK-EAWAG-ED195358.txt
new file mode 100644
index 0000000000..a637390916
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED195358.txt
@@ -0,0 +1,75 @@
+ACCESSION: MSBNK-EAWAG-ED195358
+RECORD_TITLE: [D-Asp3]MC-LR; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], V. Rouge [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1953
+CH$NAME: [D-Asp3]MC-LR
+CH$NAME: Toxin II, cyanobacterium
+CH$NAME: (5R,8S,11R,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,19-trimethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C48H72N10O12
+CH$EXACT_MASS: 980.5331177
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)C[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C48H72N10O12/c1-26(2)22-36-45(65)57-37(47(68)69)25-39(59)53-34(16-13-21-51-48(49)50)44(64)54-33(18-17-27(3)23-28(4)38(70-9)24-32-14-11-10-12-15-32)29(5)41(61)55-35(46(66)67)19-20-40(60)58(8)31(7)43(63)52-30(6)42(62)56-36/h10-12,14-15,17-18,23,26,28-30,33-38H,7,13,16,19-22,24-25H2,1-6,8-9H3,(H,52,63)(H,53,59)(H,54,64)(H,55,61)(H,56,62)(H,57,65)(H,66,67)(H,68,69)(H4,49,50,51)/b18-17+,27-23+/t28-,29-,30+,33-,34-,35+,36-,37+,38-/m0/s1
+CH$LINK: CAS 120011-66-7
+CH$LINK: CHEBI 220610
+CH$LINK: PUBCHEM CID:6440025
+CH$LINK: INCHIKEY VYEBKSHVYPDMQQ-MREVJOSWSA-N
+CH$LINK: CHEMSPIDER 4944354
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 101-1020
+AC$CHROMATOGRAPHY: COLUMN_NAME Acwuity UPLC HSS T3 1.8um, 3x100mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 85/15 at 0 min, 0/100 at 21 min, 0/100 at 25 min, 2/98 at 25.1 min, 2/98 at 31 min, 85/15 at 31.1 min, 85/15 at 33 min
+AC$CHROMATOGRAPHY: FLOW_RATE 300 uL/min at 0 min, 650 uL/min at 25.1 min, 300 uL/min at 31.1 min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.794 min
+MS$FOCUSED_ION: BASE_PEAK 979.5268
+MS$FOCUSED_ION: PRECURSOR_M/Z 979.5258
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-00pi-0910000000-3c77af3b5ef11583df0c
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  113.0358 C4H5N2O2- 1 113.0357 1.36
+  124.0403 C6H6NO2- 1 124.0404 -0.78
+  128.0353 C5H6NO3- 1 128.0353 0.15
+  129.1035 C6H13N2O- 1 129.1033 0.89
+  139.0874 C7H11N2O- 1 139.0877 -1.85
+  150.0557 C8H8NO2- 1 150.0561 -2.16
+  153.0667 C7H9N2O2- 1 153.067 -1.4
+  155.0825 C7H11N2O2- 1 155.0826 -0.93
+  165.1029 C9H13N2O- 1 165.1033 -2.49
+  167.082 C8H11N2O2- 2 167.0826 -3.75
+  180.1137 C7H12N6- 2 180.1129 4.47
+  182.1289 C7H14N6- 1 182.1285 2.16
+  183.113 C7H13N5O- 2 183.1126 2.56
+  200.1399 C7H16N6O- 2 200.1391 4.04
+  265.1662 C12H25O6- 3 265.1657 1.99
+PK$NUM_PEAK: 15
+PK$PEAK: m/z int. rel.int.
+  113.0358 39112.2 102
+  124.0403 62965.2 164
+  128.0353 382885.6 999
+  129.1035 106345.2 277
+  139.0874 76675 200
+  150.0557 27062.2 70
+  153.0667 81871.8 213
+  155.0825 44944.4 117
+  165.1029 120262.6 313
+  167.082 51728 134
+  180.1137 83651 218
+  182.1289 183776.2 479
+  183.113 28598.2 74
+  200.1399 83781.2 218
+  265.1662 124735.1 325
+//
diff --git a/Eawag/MSBNK-EAWAG-ED195359.txt b/Eawag/MSBNK-EAWAG-ED195359.txt
new file mode 100644
index 0000000000..1572c81cef
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED195359.txt
@@ -0,0 +1,67 @@
+ACCESSION: MSBNK-EAWAG-ED195359
+RECORD_TITLE: [D-Asp3]MC-LR; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], V. Rouge [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1953
+CH$NAME: [D-Asp3]MC-LR
+CH$NAME: Toxin II, cyanobacterium
+CH$NAME: (5R,8S,11R,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,19-trimethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C48H72N10O12
+CH$EXACT_MASS: 980.5331177
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)C[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C48H72N10O12/c1-26(2)22-36-45(65)57-37(47(68)69)25-39(59)53-34(16-13-21-51-48(49)50)44(64)54-33(18-17-27(3)23-28(4)38(70-9)24-32-14-11-10-12-15-32)29(5)41(61)55-35(46(66)67)19-20-40(60)58(8)31(7)43(63)52-30(6)42(62)56-36/h10-12,14-15,17-18,23,26,28-30,33-38H,7,13,16,19-22,24-25H2,1-6,8-9H3,(H,52,63)(H,53,59)(H,54,64)(H,55,61)(H,56,62)(H,57,65)(H,66,67)(H,68,69)(H4,49,50,51)/b18-17+,27-23+/t28-,29-,30+,33-,34-,35+,36-,37+,38-/m0/s1
+CH$LINK: CAS 120011-66-7
+CH$LINK: CHEBI 220610
+CH$LINK: PUBCHEM CID:6440025
+CH$LINK: INCHIKEY VYEBKSHVYPDMQQ-MREVJOSWSA-N
+CH$LINK: CHEMSPIDER 4944354
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 101-1020
+AC$CHROMATOGRAPHY: COLUMN_NAME Acwuity UPLC HSS T3 1.8um, 3x100mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 85/15 at 0 min, 0/100 at 21 min, 0/100 at 25 min, 2/98 at 25.1 min, 2/98 at 31 min, 85/15 at 31.1 min, 85/15 at 33 min
+AC$CHROMATOGRAPHY: FLOW_RATE 300 uL/min at 0 min, 650 uL/min at 25.1 min, 300 uL/min at 31.1 min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.794 min
+MS$FOCUSED_ION: BASE_PEAK 979.5268
+MS$FOCUSED_ION: PRECURSOR_M/Z 979.5258
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0059-0900000000-89d44c8986e8ab2624d2
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  113.0357 C4H5N2O2- 1 113.0357 0.48
+  124.0403 C6H6NO2- 1 124.0404 -0.96
+  128.0353 C5H6NO3- 1 128.0353 0.03
+  129.1031 C6H13N2O- 1 129.1033 -1.59
+  139.0873 C7H11N2O- 1 139.0877 -2.51
+  153.0669 C7H9N2O2- 1 153.067 -0.21
+  165.1026 C9H13N2O- 2 165.1033 -4.53
+  167.0823 C8H11N2O2- 1 167.0826 -2.01
+  180.1137 C7H12N6- 2 180.1129 4.56
+  182.1292 C7H14N6- 2 182.1285 3.42
+  200.14 C7H16N6O- 2 200.1391 4.57
+PK$NUM_PEAK: 11
+PK$PEAK: m/z int. rel.int.
+  113.0357 37746.1 179
+  124.0403 52360.3 248
+  128.0353 210214.9 999
+  129.1031 108166.7 514
+  139.0873 64756.5 307
+  153.0669 34563.6 164
+  165.1026 93860.1 446
+  167.0823 30486 144
+  180.1137 74246.4 352
+  182.1292 174242.5 828
+  200.14 34956.1 166
+//
diff --git a/Eawag/MSBNK-EAWAG-ED195390.txt b/Eawag/MSBNK-EAWAG-ED195390.txt
new file mode 100644
index 0000000000..917fc6cd4e
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED195390.txt
@@ -0,0 +1,71 @@
+ACCESSION: MSBNK-EAWAG-ED195390
+RECORD_TITLE: [D-Asp3]MC-LR; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+2H]2+; First mass: auto
+DATE: 2024.04.29
+AUTHORS: E. Janssen [dtc], V. Rouge [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1953
+CH$NAME: [D-Asp3]MC-LR
+CH$NAME: Toxin II, cyanobacterium
+CH$NAME: (5R,8S,11R,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,19-trimethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C48H72N10O12
+CH$EXACT_MASS: 980.5331177
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)C[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C48H72N10O12/c1-26(2)22-36-45(65)57-37(47(68)69)25-39(59)53-34(16-13-21-51-48(49)50)44(64)54-33(18-17-27(3)23-28(4)38(70-9)24-32-14-11-10-12-15-32)29(5)41(61)55-35(46(66)67)19-20-40(60)58(8)31(7)43(63)52-30(6)42(62)56-36/h10-12,14-15,17-18,23,26,28-30,33-38H,7,13,16,19-22,24-25H2,1-6,8-9H3,(H,52,63)(H,53,59)(H,54,64)(H,55,61)(H,56,62)(H,57,65)(H,66,67)(H,68,69)(H4,49,50,51)/b18-17+,27-23+/t28-,29-,30+,33-,34-,35+,36-,37+,38-/m0/s1
+CH$LINK: CAS 120011-66-7
+CH$LINK: CHEBI 220610
+CH$LINK: PUBCHEM CID:6440025
+CH$LINK: INCHIKEY VYEBKSHVYPDMQQ-MREVJOSWSA-N
+CH$LINK: CHEMSPIDER 4944354
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 102-1024
+AC$CHROMATOGRAPHY: COLUMN_NAME Acwuity UPLC HSS T3 1.8um, 3x100mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 85/15 at 0 min, 0/100 at 21 min, 0/100 at 25 min, 2/98 at 25.1 min, 2/98 at 31 min, 85/15 at 31.1 min, 85/15 at 33 min
+AC$CHROMATOGRAPHY: FLOW_RATE 300 uL/min at 0 min, 650 uL/min at 25.1 min, 300 uL/min at 31.1 min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.774 min
+MS$FOCUSED_ION: BASE_PEAK 491.2735
+MS$FOCUSED_ION: PRECURSOR_M/Z 491.2738
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+2H]2+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-000b-0700200090-b5732c8cf30c7a3e90f4
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  105.0692 C8H9+ 1 105.0693 -0.84
+  117.0694 C9H9+ 1 117.0693 1
+  135.0799 C9H11O+ 1 135.0799 0.18
+  136.0833 C4H12N2O3+ 1 136.0837 -2.91
+  155.0808 C7H11N2O2+ 1 155.081 -0.91
+  161.0956 C11H13O+ 1 161.0955 0.2
+  213.0862 C9H13N2O4+ 2 213.0864 -1.32
+  265.1575 C4H27NO11+ 5 265.1573 0.82
+  475.2607 C17H39N4O11+ 8 475.2604 0.64
+  556.321 C25H44N6O8+ 10 556.321 0.06
+  685.3637 C45H45N6O+ 11 685.3644 -1.05
+  847.4685 C41H65N7O12+ 4 847.468 0.6
+  848.472 C48H62N7O7+ 5 848.47 2.34
+PK$NUM_PEAK: 13
+PK$PEAK: m/z int. rel.int.
+  105.0692 84601.1 22
+  117.0694 45437.3 12
+  135.0799 3759568.2 995
+  136.0833 155325.6 41
+  155.0808 38363.7 10
+  161.0956 47352.3 12
+  213.0862 97216.3 25
+  265.1575 146406 38
+  475.2607 1238557.1 327
+  556.321 88967.9 23
+  685.3637 167578.2 44
+  847.4685 3773084.2 999
+  848.472 957777.4 253
+//
diff --git a/Eawag/MSBNK-EAWAG-ED195391.txt b/Eawag/MSBNK-EAWAG-ED195391.txt
new file mode 100644
index 0000000000..4f81c3587e
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED195391.txt
@@ -0,0 +1,85 @@
+ACCESSION: MSBNK-EAWAG-ED195391
+RECORD_TITLE: [D-Asp3]MC-LR; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+2H]2+; First mass: auto
+DATE: 2024.04.29
+AUTHORS: E. Janssen [dtc], V. Rouge [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1953
+CH$NAME: [D-Asp3]MC-LR
+CH$NAME: Toxin II, cyanobacterium
+CH$NAME: (5R,8S,11R,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,19-trimethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C48H72N10O12
+CH$EXACT_MASS: 980.5331177
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)C[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C48H72N10O12/c1-26(2)22-36-45(65)57-37(47(68)69)25-39(59)53-34(16-13-21-51-48(49)50)44(64)54-33(18-17-27(3)23-28(4)38(70-9)24-32-14-11-10-12-15-32)29(5)41(61)55-35(46(66)67)19-20-40(60)58(8)31(7)43(63)52-30(6)42(62)56-36/h10-12,14-15,17-18,23,26,28-30,33-38H,7,13,16,19-22,24-25H2,1-6,8-9H3,(H,52,63)(H,53,59)(H,54,64)(H,55,61)(H,56,62)(H,57,65)(H,66,67)(H,68,69)(H4,49,50,51)/b18-17+,27-23+/t28-,29-,30+,33-,34-,35+,36-,37+,38-/m0/s1
+CH$LINK: CAS 120011-66-7
+CH$LINK: CHEBI 220610
+CH$LINK: PUBCHEM CID:6440025
+CH$LINK: INCHIKEY VYEBKSHVYPDMQQ-MREVJOSWSA-N
+CH$LINK: CHEMSPIDER 4944354
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 102-1024
+AC$CHROMATOGRAPHY: COLUMN_NAME Acwuity UPLC HSS T3 1.8um, 3x100mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 85/15 at 0 min, 0/100 at 21 min, 0/100 at 25 min, 2/98 at 25.1 min, 2/98 at 31 min, 85/15 at 31.1 min, 85/15 at 33 min
+AC$CHROMATOGRAPHY: FLOW_RATE 300 uL/min at 0 min, 650 uL/min at 25.1 min, 300 uL/min at 31.1 min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.774 min
+MS$FOCUSED_ION: BASE_PEAK 491.2735
+MS$FOCUSED_ION: PRECURSOR_M/Z 491.2738
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+2H]2+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-000b-0800000090-cab505481988ac03fa79
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  103.0535 C8H7+ 1 103.0537 -1.32
+  105.0694 C8H9+ 1 105.0693 0.24
+  117.0692 C9H9+ 1 117.0693 -0.83
+  127.086 C6H11N2O+ 1 127.086 -0.14
+  135.0799 C9H11O+ 1 135.0799 -0.05
+  136.0831 C4H12N2O3+ 1 136.0837 -4.03
+  155.0805 C7H11N2O2+ 1 155.081 -3.17
+  157.1324 C8H17N2O+ 1 157.133 -3.5
+  161.0955 C11H13O+ 1 161.0955 -0.37
+  213.0858 C9H13N2O4+ 2 213.0864 -3.11
+  269.1115 C10H15N5O4+ 3 269.1113 0.82
+  289.1604 C10H21N6O4+ 3 289.1613 -3.29
+  473.2829 C20H43NO11+ 8 473.2825 0.84
+  475.2602 C17H39N4O11+ 7 475.2604 -0.52
+  556.3215 C25H44N6O8+ 9 556.321 0.94
+  685.3633 C45H45N6O+ 11 685.3644 -1.58
+  836.4318 C44H56N10O7+ 6 836.4322 -0.53
+  847.4684 C41H65N7O12+ 4 847.468 0.46
+  848.4716 C48H62N7O7+ 4 848.47 1.9
+  868.4564 C42H62N9O11+ 4 868.4558 0.67
+PK$NUM_PEAK: 20
+PK$PEAK: m/z int. rel.int.
+  103.0535 129437.4 33
+  105.0694 133152.2 34
+  117.0692 77618.2 20
+  127.086 75708.1 19
+  135.0799 3779689.5 980
+  136.0831 173856.3 45
+  155.0805 107619 27
+  157.1324 74647.7 19
+  161.0955 61204.1 15
+  213.0858 166380 43
+  269.1115 48417.6 12
+  289.1604 42626.7 11
+  473.2829 269703.1 69
+  475.2602 284924.3 73
+  556.3215 154259.7 40
+  685.3633 114560.2 29
+  836.4318 152685.9 39
+  847.4684 3852345.5 999
+  848.4716 930594.1 241
+  868.4564 107305.4 27
+//
diff --git a/Eawag/MSBNK-EAWAG-ED195392.txt b/Eawag/MSBNK-EAWAG-ED195392.txt
new file mode 100644
index 0000000000..411a966c7e
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED195392.txt
@@ -0,0 +1,77 @@
+ACCESSION: MSBNK-EAWAG-ED195392
+RECORD_TITLE: [D-Asp3]MC-LR; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+2H]2+; First mass: auto
+DATE: 2024.04.29
+AUTHORS: E. Janssen [dtc], V. Rouge [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1953
+CH$NAME: [D-Asp3]MC-LR
+CH$NAME: Toxin II, cyanobacterium
+CH$NAME: (5R,8S,11R,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,19-trimethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C48H72N10O12
+CH$EXACT_MASS: 980.5331177
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)C[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C48H72N10O12/c1-26(2)22-36-45(65)57-37(47(68)69)25-39(59)53-34(16-13-21-51-48(49)50)44(64)54-33(18-17-27(3)23-28(4)38(70-9)24-32-14-11-10-12-15-32)29(5)41(61)55-35(46(66)67)19-20-40(60)58(8)31(7)43(63)52-30(6)42(62)56-36/h10-12,14-15,17-18,23,26,28-30,33-38H,7,13,16,19-22,24-25H2,1-6,8-9H3,(H,52,63)(H,53,59)(H,54,64)(H,55,61)(H,56,62)(H,57,65)(H,66,67)(H,68,69)(H4,49,50,51)/b18-17+,27-23+/t28-,29-,30+,33-,34-,35+,36-,37+,38-/m0/s1
+CH$LINK: CAS 120011-66-7
+CH$LINK: CHEBI 220610
+CH$LINK: PUBCHEM CID:6440025
+CH$LINK: INCHIKEY VYEBKSHVYPDMQQ-MREVJOSWSA-N
+CH$LINK: CHEMSPIDER 4944354
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 102-1024
+AC$CHROMATOGRAPHY: COLUMN_NAME Acwuity UPLC HSS T3 1.8um, 3x100mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 85/15 at 0 min, 0/100 at 21 min, 0/100 at 25 min, 2/98 at 25.1 min, 2/98 at 31 min, 85/15 at 31.1 min, 85/15 at 33 min
+AC$CHROMATOGRAPHY: FLOW_RATE 300 uL/min at 0 min, 650 uL/min at 25.1 min, 300 uL/min at 31.1 min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.774 min
+MS$FOCUSED_ION: BASE_PEAK 491.2735
+MS$FOCUSED_ION: PRECURSOR_M/Z 491.2738
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+2H]2+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-000j-0900000060-f56fddde2a94a30bfcc3
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  103.0538 C8H7+ 1 103.0537 1.2
+  105.0694 C8H9+ 1 105.0693 0.46
+  117.0693 C9H9+ 1 117.0693 -0.43
+  127.0859 C6H11N2O+ 1 127.086 -0.74
+  135.08 C9H11O+ 1 135.0799 0.52
+  136.0833 C4H12N2O3+ 1 136.0837 -2.57
+  155.081 C7H11N2O2+ 1 155.081 0.37
+  157.1329 C8H17N2O+ 1 157.133 -0.58
+  161.0956 C11H13O+ 1 161.0955 0.48
+  174.1345 C6H16N5O+ 1 174.1344 0.83
+  209.1314 CH23NO10+ 4 209.1311 1.48
+  213.0861 C9H13N2O4+ 2 213.0864 -1.61
+  237.1626 C18H21+ 4 237.1632 -2.64
+  282.1843 C17H22N4+ 5 282.1833 3.31
+  685.3615 C45H45N6O+ 9 685.3644 -4.26
+  847.4689 C41H65N7O12+ 4 847.468 1.03
+PK$NUM_PEAK: 16
+PK$PEAK: m/z int. rel.int.
+  103.0538 196096.1 53
+  105.0694 215946.2 58
+  117.0693 107650.8 29
+  127.0859 164686.5 44
+  135.08 3683002.8 999
+  136.0833 144003.8 39
+  155.081 124855.8 33
+  157.1329 79759.3 21
+  161.0956 82713.4 22
+  174.1345 110777.4 30
+  209.1314 49979.3 13
+  213.0861 202623.1 54
+  237.1626 44706.8 12
+  282.1843 53404 14
+  685.3615 73693.7 19
+  847.4689 3548761.8 962
+//
diff --git a/Eawag/MSBNK-EAWAG-ED195393.txt b/Eawag/MSBNK-EAWAG-ED195393.txt
new file mode 100644
index 0000000000..43568d65d6
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED195393.txt
@@ -0,0 +1,83 @@
+ACCESSION: MSBNK-EAWAG-ED195393
+RECORD_TITLE: [D-Asp3]MC-LR; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+2H]2+; First mass: auto
+DATE: 2024.04.29
+AUTHORS: E. Janssen [dtc], V. Rouge [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1953
+CH$NAME: [D-Asp3]MC-LR
+CH$NAME: Toxin II, cyanobacterium
+CH$NAME: (5R,8S,11R,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,19-trimethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C48H72N10O12
+CH$EXACT_MASS: 980.5331177
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)C[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C48H72N10O12/c1-26(2)22-36-45(65)57-37(47(68)69)25-39(59)53-34(16-13-21-51-48(49)50)44(64)54-33(18-17-27(3)23-28(4)38(70-9)24-32-14-11-10-12-15-32)29(5)41(61)55-35(46(66)67)19-20-40(60)58(8)31(7)43(63)52-30(6)42(62)56-36/h10-12,14-15,17-18,23,26,28-30,33-38H,7,13,16,19-22,24-25H2,1-6,8-9H3,(H,52,63)(H,53,59)(H,54,64)(H,55,61)(H,56,62)(H,57,65)(H,66,67)(H,68,69)(H4,49,50,51)/b18-17+,27-23+/t28-,29-,30+,33-,34-,35+,36-,37+,38-/m0/s1
+CH$LINK: CAS 120011-66-7
+CH$LINK: CHEBI 220610
+CH$LINK: PUBCHEM CID:6440025
+CH$LINK: INCHIKEY VYEBKSHVYPDMQQ-MREVJOSWSA-N
+CH$LINK: CHEMSPIDER 4944354
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 102-1024
+AC$CHROMATOGRAPHY: COLUMN_NAME Acwuity UPLC HSS T3 1.8um, 3x100mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 85/15 at 0 min, 0/100 at 21 min, 0/100 at 25 min, 2/98 at 25.1 min, 2/98 at 31 min, 85/15 at 31.1 min, 85/15 at 33 min
+AC$CHROMATOGRAPHY: FLOW_RATE 300 uL/min at 0 min, 650 uL/min at 25.1 min, 300 uL/min at 31.1 min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.774 min
+MS$FOCUSED_ION: BASE_PEAK 491.2735
+MS$FOCUSED_ION: PRECURSOR_M/Z 491.2738
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+2H]2+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-000j-0900000050-d159b2d8f80da69b8de4
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  103.0537 C8H7+ 1 103.0537 0.46
+  105.0694 C8H9+ 1 105.0693 0.24
+  115.0537 C9H7+ 1 115.0537 0.04
+  117.0693 C9H9+ 1 117.0693 -0.57
+  127.0859 C6H11N2O+ 1 127.086 -0.92
+  135.0799 C9H11O+ 1 135.0799 0.29
+  136.0835 C4H12N2O3+ 1 136.0837 -1.79
+  155.0808 C7H11N2O2+ 1 155.081 -1
+  157.1326 C8H17N2O+ 1 157.133 -2.23
+  161.0952 C11H13O+ 1 161.0955 -2.17
+  163.1107 C11H15O+ 1 163.1112 -2.82
+  174.1341 C6H16N5O+ 1 174.1344 -1.53
+  213.086 C9H13N2O4+ 2 213.0864 -1.82
+  289.1608 C10H21N6O4+ 3 289.1613 -1.81
+  473.2829 C20H43NO11+ 8 473.2825 0.71
+  539.2931 C37H37N3O+ 9 539.2926 0.98
+  556.3209 C25H44N6O8+ 10 556.321 -0.05
+  847.4686 C41H65N7O12+ 4 847.468 0.67
+  848.4714 C48H62N7O7+ 5 848.47 1.69
+PK$NUM_PEAK: 19
+PK$PEAK: m/z int. rel.int.
+  103.0537 293430.3 83
+  105.0694 306637.8 87
+  115.0537 36645.4 10
+  117.0693 191574.2 54
+  127.0859 246819.9 70
+  135.0799 3492409.8 999
+  136.0835 124967.5 35
+  155.0808 156496.8 44
+  157.1326 126027.9 36
+  161.0952 80222.7 22
+  163.1107 55438.5 15
+  174.1341 208662.8 59
+  213.086 187083.6 53
+  289.1608 129838.6 37
+  473.2829 156255.6 44
+  539.2931 88226.5 25
+  556.3209 145516.3 41
+  847.4686 2607630.5 745
+  848.4714 569851.1 163
+//
diff --git a/Eawag/MSBNK-EAWAG-ED195394.txt b/Eawag/MSBNK-EAWAG-ED195394.txt
new file mode 100644
index 0000000000..6361ae08d0
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED195394.txt
@@ -0,0 +1,99 @@
+ACCESSION: MSBNK-EAWAG-ED195394
+RECORD_TITLE: [D-Asp3]MC-LR; LC-ESI-QFT; MS2; CE: 35%; R=15000; [M+2H]2+; First mass: auto
+DATE: 2024.04.29
+AUTHORS: E. Janssen [dtc], V. Rouge [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1953
+CH$NAME: [D-Asp3]MC-LR
+CH$NAME: Toxin II, cyanobacterium
+CH$NAME: (5R,8S,11R,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,19-trimethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C48H72N10O12
+CH$EXACT_MASS: 980.5331177
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)C[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C48H72N10O12/c1-26(2)22-36-45(65)57-37(47(68)69)25-39(59)53-34(16-13-21-51-48(49)50)44(64)54-33(18-17-27(3)23-28(4)38(70-9)24-32-14-11-10-12-15-32)29(5)41(61)55-35(46(66)67)19-20-40(60)58(8)31(7)43(63)52-30(6)42(62)56-36/h10-12,14-15,17-18,23,26,28-30,33-38H,7,13,16,19-22,24-25H2,1-6,8-9H3,(H,52,63)(H,53,59)(H,54,64)(H,55,61)(H,56,62)(H,57,65)(H,66,67)(H,68,69)(H4,49,50,51)/b18-17+,27-23+/t28-,29-,30+,33-,34-,35+,36-,37+,38-/m0/s1
+CH$LINK: CAS 120011-66-7
+CH$LINK: CHEBI 220610
+CH$LINK: PUBCHEM CID:6440025
+CH$LINK: INCHIKEY VYEBKSHVYPDMQQ-MREVJOSWSA-N
+CH$LINK: CHEMSPIDER 4944354
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 35 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 102-1024
+AC$CHROMATOGRAPHY: COLUMN_NAME Acwuity UPLC HSS T3 1.8um, 3x100mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 85/15 at 0 min, 0/100 at 21 min, 0/100 at 25 min, 2/98 at 25.1 min, 2/98 at 31 min, 85/15 at 31.1 min, 85/15 at 33 min
+AC$CHROMATOGRAPHY: FLOW_RATE 300 uL/min at 0 min, 650 uL/min at 25.1 min, 300 uL/min at 31.1 min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.774 min
+MS$FOCUSED_ION: BASE_PEAK 491.2735
+MS$FOCUSED_ION: PRECURSOR_M/Z 491.2738
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+2H]2+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-000i-0910000020-90098eabd32568790a46
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  103.0538 C8H7+ 1 103.0537 0.76
+  105.0694 C8H9+ 1 105.0693 0.24
+  107.0849 C8H11+ 1 107.085 -0.74
+  112.0863 C5H10N3+ 1 112.0864 -0.68
+  117.0692 C9H9+ 1 117.0693 -1.09
+  127.086 C6H11N2O+ 1 127.086 0.04
+  131.0852 C10H11+ 1 131.085 1.92
+  135.0799 C9H11O+ 1 135.0799 0.29
+  136.0832 C4H12N2O3+ 1 136.0837 -3.69
+  155.0809 C7H11N2O2+ 1 155.081 -0.22
+  157.1329 C8H17N2O+ 1 157.133 -0.78
+  161.0953 C11H13O+ 1 161.0955 -1.23
+  174.134 C6H16N5O+ 1 174.1344 -2.14
+  213.0861 C9H13N2O4+ 2 213.0864 -1.68
+  226.1581 CH26N2O10+ 4 226.1576 1.86
+  230.1127 C7H14N6O3+ 2 230.1116 4.43
+  237.1632 C18H21+ 4 237.1632 -0.01
+  255.1077 C10H15N4O4+ 3 255.1082 -2.24
+  268.163 C11H20N6O2+ 3 268.1637 -2.36
+  271.1508 C9H23N2O7+ 4 271.1494 4.97
+  272.1344 C9H22NO8+ 3 272.1334 3.59
+  282.1846 C17H22N4+ 5 282.1833 4.29
+  289.1614 C10H21N6O4+ 5 289.1613 0.09
+  775.4837 C37H63N10O8+ 7 775.4819 2.21
+  819.4719 C38H63N10O10+ 4 819.4718 0.14
+  847.4692 C41H65N7O12+ 6 847.468 1.39
+  848.4713 C48H62N7O7+ 5 848.47 1.62
+PK$NUM_PEAK: 27
+PK$PEAK: m/z int. rel.int.
+  103.0538 356734.3 141
+  105.0694 315606.3 124
+  107.0849 59024.3 23
+  112.0863 86004.8 34
+  117.0692 185956.2 73
+  127.086 240855.2 95
+  131.0852 32353 12
+  135.0799 2524276.2 999
+  136.0832 113007.1 44
+  155.0809 135008.8 53
+  157.1329 101533.2 40
+  161.0953 65432.7 25
+  174.134 196698.7 77
+  213.0861 187882.3 74
+  226.1581 65926.8 26
+  230.1127 36058.4 14
+  237.1632 45061 17
+  255.1077 43577.6 17
+  268.163 26126.7 10
+  271.1508 57394.7 22
+  272.1344 121447.3 48
+  282.1846 31160.8 12
+  289.1614 146200.8 57
+  775.4837 29435.6 11
+  819.4719 110727.4 43
+  847.4692 871529.2 344
+  848.4713 226205.3 89
+//
diff --git a/Eawag/MSBNK-EAWAG-ED195395.txt b/Eawag/MSBNK-EAWAG-ED195395.txt
new file mode 100644
index 0000000000..848e0ea115
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED195395.txt
@@ -0,0 +1,107 @@
+ACCESSION: MSBNK-EAWAG-ED195395
+RECORD_TITLE: [D-Asp3]MC-LR; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+2H]2+; First mass: auto
+DATE: 2024.04.29
+AUTHORS: E. Janssen [dtc], V. Rouge [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1953
+CH$NAME: [D-Asp3]MC-LR
+CH$NAME: Toxin II, cyanobacterium
+CH$NAME: (5R,8S,11R,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,19-trimethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C48H72N10O12
+CH$EXACT_MASS: 980.5331177
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)C[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C48H72N10O12/c1-26(2)22-36-45(65)57-37(47(68)69)25-39(59)53-34(16-13-21-51-48(49)50)44(64)54-33(18-17-27(3)23-28(4)38(70-9)24-32-14-11-10-12-15-32)29(5)41(61)55-35(46(66)67)19-20-40(60)58(8)31(7)43(63)52-30(6)42(62)56-36/h10-12,14-15,17-18,23,26,28-30,33-38H,7,13,16,19-22,24-25H2,1-6,8-9H3,(H,52,63)(H,53,59)(H,54,64)(H,55,61)(H,56,62)(H,57,65)(H,66,67)(H,68,69)(H4,49,50,51)/b18-17+,27-23+/t28-,29-,30+,33-,34-,35+,36-,37+,38-/m0/s1
+CH$LINK: CAS 120011-66-7
+CH$LINK: CHEBI 220610
+CH$LINK: PUBCHEM CID:6440025
+CH$LINK: INCHIKEY VYEBKSHVYPDMQQ-MREVJOSWSA-N
+CH$LINK: CHEMSPIDER 4944354
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 102-1024
+AC$CHROMATOGRAPHY: COLUMN_NAME Acwuity UPLC HSS T3 1.8um, 3x100mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 85/15 at 0 min, 0/100 at 21 min, 0/100 at 25 min, 2/98 at 25.1 min, 2/98 at 31 min, 85/15 at 31.1 min, 85/15 at 33 min
+AC$CHROMATOGRAPHY: FLOW_RATE 300 uL/min at 0 min, 650 uL/min at 25.1 min, 300 uL/min at 31.1 min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.774 min
+MS$FOCUSED_ION: BASE_PEAK 491.2735
+MS$FOCUSED_ION: PRECURSOR_M/Z 491.2738
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+2H]2+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-000i-0910000000-59eaf2e82b2923fe8b52
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  103.0538 C8H7+ 1 103.0537 0.83
+  105.0694 C8H9+ 1 105.0693 0.68
+  107.0851 C8H11+ 1 107.085 1.19
+  112.0864 C5H10N3+ 1 112.0864 0.06
+  115.0536 C9H7+ 1 115.0537 -0.82
+  115.0862 C5H11N2O+ 1 115.086 1.78
+  117.0693 C9H9+ 1 117.0693 -0.37
+  124.1114 C8H14N+ 1 124.1115 -1.04
+  127.086 C6H11N2O+ 1 127.086 -0.5
+  133.1005 C10H13+ 1 133.1006 -1.02
+  135.08 C9H11O+ 1 135.0799 0.52
+  136.0836 C4H12N2O3+ 1 136.0837 -1
+  155.0809 C7H11N2O2+ 1 155.081 -0.32
+  157.1328 C8H17N2O+ 1 157.133 -1.17
+  163.1111 C11H15O+ 1 163.1112 -0.38
+  167.0811 C8H11N2O2+ 1 167.081 0.62
+  174.1342 C6H16N5O+ 1 174.1344 -0.83
+  195.0759 C9H11N2O3+ 1 195.0759 0.37
+  195.1156 H21NO10+ 2 195.1154 1.01
+  199.1182 C8H15N4O2+ 1 199.1184 -1.13
+  212.1009 C7H12N6O2+ 1 212.1011 -0.61
+  213.086 C9H13N2O4+ 2 213.0864 -1.89
+  226.1581 CH26N2O10+ 4 226.1576 1.79
+  230.1117 C7H14N6O3+ 1 230.1116 0.39
+  237.1623 C18H21+ 3 237.1632 -4.12
+  255.1082 C10H15N4O4+ 1 255.1082 -0.2
+  265.1575 C4H27NO11+ 5 265.1573 0.82
+  271.1498 C9H23N2O7+ 3 271.1494 1.25
+  272.1336 C9H22NO8+ 3 272.1334 0.56
+  289.161 C10H21N6O4+ 3 289.1613 -1.18
+  847.4682 C41H65N7O12+ 4 847.468 0.17
+PK$NUM_PEAK: 31
+PK$PEAK: m/z int. rel.int.
+  103.0538 545740.4 226
+  105.0694 471710 196
+  107.0851 116610 48
+  112.0864 200498.9 83
+  115.0536 67167.9 27
+  115.0862 66108.3 27
+  117.0693 247438.2 102
+  124.1114 50477.6 20
+  127.086 367886.7 152
+  133.1005 29506 12
+  135.08 2402492.2 999
+  136.0836 108718.4 45
+  155.0809 175052.8 72
+  157.1328 100672.6 41
+  163.1111 133038 55
+  167.0811 59563.2 24
+  174.1342 224562.2 93
+  195.0759 58407.7 24
+  195.1156 28323 11
+  199.1182 39116.9 16
+  212.1009 37593.2 15
+  213.086 249752.7 103
+  226.1581 68920.5 28
+  230.1117 48920.2 20
+  237.1623 57289.6 23
+  255.1082 93210.6 38
+  265.1575 59747.9 24
+  271.1498 57005.1 23
+  272.1336 151213.5 62
+  289.161 151212.7 62
+  847.4682 205395.4 85
+//
diff --git a/Eawag/MSBNK-EAWAG-ED195396.txt b/Eawag/MSBNK-EAWAG-ED195396.txt
new file mode 100644
index 0000000000..d6deb56a83
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED195396.txt
@@ -0,0 +1,107 @@
+ACCESSION: MSBNK-EAWAG-ED195396
+RECORD_TITLE: [D-Asp3]MC-LR; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+2H]2+; First mass: auto
+DATE: 2024.04.29
+AUTHORS: E. Janssen [dtc], V. Rouge [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1953
+CH$NAME: [D-Asp3]MC-LR
+CH$NAME: Toxin II, cyanobacterium
+CH$NAME: (5R,8S,11R,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,19-trimethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C48H72N10O12
+CH$EXACT_MASS: 980.5331177
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)C[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C48H72N10O12/c1-26(2)22-36-45(65)57-37(47(68)69)25-39(59)53-34(16-13-21-51-48(49)50)44(64)54-33(18-17-27(3)23-28(4)38(70-9)24-32-14-11-10-12-15-32)29(5)41(61)55-35(46(66)67)19-20-40(60)58(8)31(7)43(63)52-30(6)42(62)56-36/h10-12,14-15,17-18,23,26,28-30,33-38H,7,13,16,19-22,24-25H2,1-6,8-9H3,(H,52,63)(H,53,59)(H,54,64)(H,55,61)(H,56,62)(H,57,65)(H,66,67)(H,68,69)(H4,49,50,51)/b18-17+,27-23+/t28-,29-,30+,33-,34-,35+,36-,37+,38-/m0/s1
+CH$LINK: CAS 120011-66-7
+CH$LINK: CHEBI 220610
+CH$LINK: PUBCHEM CID:6440025
+CH$LINK: INCHIKEY VYEBKSHVYPDMQQ-MREVJOSWSA-N
+CH$LINK: CHEMSPIDER 4944354
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 102-1024
+AC$CHROMATOGRAPHY: COLUMN_NAME Acwuity UPLC HSS T3 1.8um, 3x100mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 85/15 at 0 min, 0/100 at 21 min, 0/100 at 25 min, 2/98 at 25.1 min, 2/98 at 31 min, 85/15 at 31.1 min, 85/15 at 33 min
+AC$CHROMATOGRAPHY: FLOW_RATE 300 uL/min at 0 min, 650 uL/min at 25.1 min, 300 uL/min at 31.1 min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.774 min
+MS$FOCUSED_ION: BASE_PEAK 491.2735
+MS$FOCUSED_ION: PRECURSOR_M/Z 491.2738
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+2H]2+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-052r-0900000000-a17cf5d9756d61627e40
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  103.0537 C8H7+ 1 103.0537 0.39
+  105.0693 C8H9+ 1 105.0693 -0.05
+  107.085 C8H11+ 1 107.085 0.26
+  110.0594 C6H8NO+ 1 110.0595 -0.61
+  112.0863 C5H10N3+ 1 112.0864 -1.02
+  113.0704 C5H9N2O+ 1 113.0704 0.08
+  114.1018 C5H12N3+ 1 114.102 -2.05
+  115.0534 C9H7+ 1 115.0537 -2.01
+  115.086 C5H11N2O+ 1 115.086 -0.35
+  117.0693 C9H9+ 1 117.0693 -0.5
+  124.1116 C8H14N+ 1 124.1115 0.37
+  127.0859 C6H11N2O+ 1 127.086 -0.98
+  135.0799 C9H11O+ 1 135.0799 0.29
+  136.0834 C4H12N2O3+ 1 136.0837 -2.35
+  140.0815 C6H10N3O+ 1 140.0813 1.66
+  155.081 C7H11N2O2+ 1 155.081 0.08
+  157.1087 C8H15NO2+ 1 157.1092 -2.88
+  157.1327 C8H17N2O+ 1 157.133 -2.04
+  161.0955 C11H13O+ 1 161.0955 -0.18
+  163.1109 C11H15O+ 1 163.1112 -1.6
+  167.0806 C8H11N2O2+ 1 167.081 -1.85
+  174.1344 C6H16N5O+ 1 174.1344 -0.22
+  181.1004 C14H13+ 2 181.1006 -1.37
+  184.1078 C8H14N3O2+ 1 184.1075 1.64
+  195.0759 C9H11N2O3+ 1 195.0759 0.14
+  195.1163 C15H15+ 3 195.1163 0.12
+  200.1128 C7H14N5O2+ 3 200.1137 -4.34
+  209.1315 CH23NO10+ 4 209.1311 1.92
+  212.1024 C9H14N3O3+ 1 212.1024 0.03
+  213.0858 C9H13N2O4+ 2 213.0864 -2.97
+  289.16 C10H21N6O4+ 4 289.1613 -4.45
+PK$NUM_PEAK: 31
+PK$PEAK: m/z int. rel.int.
+  103.0537 832848.6 497
+  105.0693 582420.9 347
+  107.085 203125.7 121
+  110.0594 37187.1 22
+  112.0863 253419.1 151
+  113.0704 43373.3 25
+  114.1018 33369.8 19
+  115.0534 88345.1 52
+  115.086 138529.5 82
+  117.0693 269390.8 160
+  124.1116 57163.5 34
+  127.0859 480669.1 286
+  135.0799 1673616.6 999
+  136.0834 69096.7 41
+  140.0815 58698.8 35
+  155.081 188190.3 112
+  157.1087 109965.4 65
+  157.1327 72006.6 42
+  161.0955 54079.1 32
+  163.1109 144462.6 86
+  167.0806 99592.5 59
+  174.1344 112223.3 66
+  181.1004 22893.2 13
+  184.1078 32567.6 19
+  195.0759 69108.1 41
+  195.1163 38036.1 22
+  200.1128 60763.7 36
+  209.1315 62803.8 37
+  212.1024 64698.9 38
+  213.0858 217219 129
+  289.16 57069.1 34
+//
diff --git a/Eawag/MSBNK-EAWAG-ED195397.txt b/Eawag/MSBNK-EAWAG-ED195397.txt
new file mode 100644
index 0000000000..6e9cdf165c
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED195397.txt
@@ -0,0 +1,105 @@
+ACCESSION: MSBNK-EAWAG-ED195397
+RECORD_TITLE: [D-Asp3]MC-LR; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+2H]2+; First mass: auto
+DATE: 2024.04.29
+AUTHORS: E. Janssen [dtc], V. Rouge [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1953
+CH$NAME: [D-Asp3]MC-LR
+CH$NAME: Toxin II, cyanobacterium
+CH$NAME: (5R,8S,11R,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,19-trimethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C48H72N10O12
+CH$EXACT_MASS: 980.5331177
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)C[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C48H72N10O12/c1-26(2)22-36-45(65)57-37(47(68)69)25-39(59)53-34(16-13-21-51-48(49)50)44(64)54-33(18-17-27(3)23-28(4)38(70-9)24-32-14-11-10-12-15-32)29(5)41(61)55-35(46(66)67)19-20-40(60)58(8)31(7)43(63)52-30(6)42(62)56-36/h10-12,14-15,17-18,23,26,28-30,33-38H,7,13,16,19-22,24-25H2,1-6,8-9H3,(H,52,63)(H,53,59)(H,54,64)(H,55,61)(H,56,62)(H,57,65)(H,66,67)(H,68,69)(H4,49,50,51)/b18-17+,27-23+/t28-,29-,30+,33-,34-,35+,36-,37+,38-/m0/s1
+CH$LINK: CAS 120011-66-7
+CH$LINK: CHEBI 220610
+CH$LINK: PUBCHEM CID:6440025
+CH$LINK: INCHIKEY VYEBKSHVYPDMQQ-MREVJOSWSA-N
+CH$LINK: CHEMSPIDER 4944354
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 102-1024
+AC$CHROMATOGRAPHY: COLUMN_NAME Acwuity UPLC HSS T3 1.8um, 3x100mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 85/15 at 0 min, 0/100 at 21 min, 0/100 at 25 min, 2/98 at 25.1 min, 2/98 at 31 min, 85/15 at 31.1 min, 85/15 at 33 min
+AC$CHROMATOGRAPHY: FLOW_RATE 300 uL/min at 0 min, 650 uL/min at 25.1 min, 300 uL/min at 31.1 min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.774 min
+MS$FOCUSED_ION: BASE_PEAK 491.2735
+MS$FOCUSED_ION: PRECURSOR_M/Z 491.2738
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+2H]2+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-1009-0900000000-a3eb6707dd925a55b7fd
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  103.0538 C8H7+ 1 103.0537 0.83
+  104.0571 C3H8N2O2+ 1 104.0575 -3.59
+  105.0445 C6H5N2+ 1 105.0442 3.28
+  105.0694 C8H9+ 1 105.0693 0.32
+  107.0849 C8H11+ 1 107.085 -0.31
+  112.0864 C5H10N3+ 1 112.0864 -0.07
+  113.0704 C5H9N2O+ 1 113.0704 -0.06
+  114.1021 C5H12N3+ 1 114.102 0.55
+  115.0535 C9H7+ 1 115.0537 -1.48
+  115.0861 C5H11N2O+ 1 115.086 0.78
+  117.0693 C9H9+ 1 117.0693 -0.24
+  120.0568 C8H8O+ 1 120.0564 3.07
+  124.1115 C8H14N+ 1 124.1115 -0.12
+  127.086 C6H11N2O+ 1 127.086 -0.02
+  131.0853 C10H11+ 1 131.085 2.62
+  133.1009 C10H13+ 1 133.1006 1.85
+  135.08 C9H11O+ 1 135.0799 0.63
+  136.0837 C4H12N2O3+ 1 136.0837 0.01
+  155.0809 C7H11N2O2+ 1 155.081 -0.51
+  157.1086 C8H15NO2+ 1 157.1092 -3.46
+  157.1327 C8H17N2O+ 1 157.133 -1.85
+  158.092 C6H12N3O2+ 1 158.0919 0.79
+  163.1115 C11H15O+ 1 163.1112 2.14
+  167.081 C8H11N2O2+ 1 167.081 0.34
+  175.118 C6H15N4O2+ 1 175.1184 -2.32
+  195.076 C9H11N2O3+ 1 195.0759 0.92
+  200.1139 C7H14N5O2+ 1 200.1137 1.15
+  212.1013 C7H12N6O2+ 1 212.1011 1.26
+  213.0858 C9H13N2O4+ 2 213.0864 -3.04
+  226.1584 CH26N2O10+ 4 226.1576 3.14
+PK$NUM_PEAK: 30
+PK$PEAK: m/z int. rel.int.
+  103.0538 1018692.4 999
+  104.0571 37040.4 36
+  105.0445 30438.8 29
+  105.0694 575218.4 564
+  107.0849 213200.3 209
+  112.0864 245965.3 241
+  113.0704 62974.9 61
+  114.1021 38471.1 37
+  115.0535 120128.5 117
+  115.0861 144404.4 141
+  117.0693 245584.4 240
+  120.0568 28310.9 27
+  124.1115 40039.4 39
+  127.086 496595.3 486
+  131.0853 52977.4 51
+  133.1009 46013.5 45
+  135.08 980058.8 961
+  136.0837 32538.1 31
+  155.0809 109872.9 107
+  157.1086 89786.7 88
+  157.1327 39230.4 38
+  158.092 29787.9 29
+  163.1115 84980.5 83
+  167.081 115318.6 113
+  175.118 23316.2 22
+  195.076 53197.1 52
+  200.1139 31533.9 30
+  212.1013 41339.6 40
+  213.0858 122783 120
+  226.1584 31613.9 31
+//
diff --git a/Eawag/MSBNK-EAWAG-ED195398.txt b/Eawag/MSBNK-EAWAG-ED195398.txt
new file mode 100644
index 0000000000..f5b0177ffd
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED195398.txt
@@ -0,0 +1,85 @@
+ACCESSION: MSBNK-EAWAG-ED195398
+RECORD_TITLE: [D-Asp3]MC-LR; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+2H]2+; First mass: auto
+DATE: 2024.04.29
+AUTHORS: E. Janssen [dtc], V. Rouge [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1953
+CH$NAME: [D-Asp3]MC-LR
+CH$NAME: Toxin II, cyanobacterium
+CH$NAME: (5R,8S,11R,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,19-trimethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C48H72N10O12
+CH$EXACT_MASS: 980.5331177
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)C[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C48H72N10O12/c1-26(2)22-36-45(65)57-37(47(68)69)25-39(59)53-34(16-13-21-51-48(49)50)44(64)54-33(18-17-27(3)23-28(4)38(70-9)24-32-14-11-10-12-15-32)29(5)41(61)55-35(46(66)67)19-20-40(60)58(8)31(7)43(63)52-30(6)42(62)56-36/h10-12,14-15,17-18,23,26,28-30,33-38H,7,13,16,19-22,24-25H2,1-6,8-9H3,(H,52,63)(H,53,59)(H,54,64)(H,55,61)(H,56,62)(H,57,65)(H,66,67)(H,68,69)(H4,49,50,51)/b18-17+,27-23+/t28-,29-,30+,33-,34-,35+,36-,37+,38-/m0/s1
+CH$LINK: CAS 120011-66-7
+CH$LINK: CHEBI 220610
+CH$LINK: PUBCHEM CID:6440025
+CH$LINK: INCHIKEY VYEBKSHVYPDMQQ-MREVJOSWSA-N
+CH$LINK: CHEMSPIDER 4944354
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 102-1024
+AC$CHROMATOGRAPHY: COLUMN_NAME Acwuity UPLC HSS T3 1.8um, 3x100mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 85/15 at 0 min, 0/100 at 21 min, 0/100 at 25 min, 2/98 at 25.1 min, 2/98 at 31 min, 85/15 at 31.1 min, 85/15 at 33 min
+AC$CHROMATOGRAPHY: FLOW_RATE 300 uL/min at 0 min, 650 uL/min at 25.1 min, 300 uL/min at 31.1 min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.774 min
+MS$FOCUSED_ION: BASE_PEAK 491.2735
+MS$FOCUSED_ION: PRECURSOR_M/Z 491.2738
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+2H]2+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0zfr-0900000000-dd4a4ed68212002922eb
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  103.0538 C8H7+ 1 103.0537 0.98
+  104.0571 C3H8N2O2+ 1 104.0575 -3.73
+  105.0444 C6H5N2+ 1 105.0442 1.75
+  105.0694 C8H9+ 1 105.0693 0.39
+  107.085 C8H11+ 1 107.085 0.19
+  112.0863 C5H10N3+ 1 112.0864 -0.41
+  113.0708 C5H9N2O+ 1 113.0704 3.45
+  115.0537 C9H7+ 1 115.0537 0.31
+  115.0859 C5H11N2O+ 1 115.086 -1.21
+  117.0694 C9H9+ 1 117.0693 0.48
+  119.085 C9H11+ 1 119.085 0.14
+  127.0861 C6H11N2O+ 1 127.086 0.22
+  131.0852 C10H11+ 1 131.085 1.69
+  133.101 C10H13+ 1 133.1006 2.42
+  135.08 C9H11O+ 1 135.0799 0.63
+  155.0812 C7H11N2O2+ 1 155.081 1.85
+  167.0813 C8H11N2O2+ 1 167.081 2.26
+  195.075 C9H11N2O3+ 2 195.0759 -4.24
+  209.1315 CH23NO10+ 4 209.1311 2.14
+  213.0864 C9H13N2O4+ 1 213.0864 0.04
+PK$NUM_PEAK: 20
+PK$PEAK: m/z int. rel.int.
+  103.0538 1258122.8 999
+  104.0571 43487.9 34
+  105.0444 38377.6 30
+  105.0694 599370.9 475
+  107.085 223210.8 177
+  112.0863 245337.5 194
+  113.0708 37707.5 29
+  115.0537 126125.3 100
+  115.0859 152883.9 121
+  117.0694 233280.3 185
+  119.085 21429.6 17
+  127.0861 468394.8 371
+  131.0852 52224 41
+  133.101 55897.8 44
+  135.08 607654.1 482
+  155.0812 71205.8 56
+  167.0813 115272 91
+  195.075 34993.6 27
+  209.1315 23561.9 18
+  213.0864 73792.8 58
+//
diff --git a/Eawag/MSBNK-EAWAG-ED196251.txt b/Eawag/MSBNK-EAWAG-ED196251.txt
new file mode 100644
index 0000000000..ea35045646
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED196251.txt
@@ -0,0 +1,46 @@
+ACCESSION: MSBNK-EAWAG-ED196251
+RECORD_TITLE: [D-Asp3,(E)-Dhb7]MC-RR; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], V. Rouge [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1962
+CH$NAME: [D-Asp3,(E)-Dhb7]MC-RR
+CH$NAME: (2E,5R,8S,11R,15S,18S,19S,22R)-8,15-bis[3-(diaminomethylideneamino)propyl]-2-ethylidene-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-5,19-dimethyl-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C48H73N13O12
+CH$EXACT_MASS: 1023.550165
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)C[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)NC(=O)C(=C\C)/NC(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C48H73N13O12/c1-7-31-42(66)55-29(5)41(65)59-34(16-12-22-54-48(51)52)44(68)61-36(46(71)72)25-39(63)57-33(15-11-21-53-47(49)50)43(67)58-32(28(4)40(64)60-35(45(69)70)19-20-38(62)56-31)18-17-26(2)23-27(3)37(73-6)24-30-13-9-8-10-14-30/h7-10,13-14,17-18,23,27-29,32-37H,11-12,15-16,19-22,24-25H2,1-6H3,(H,55,66)(H,56,62)(H,57,63)(H,58,67)(H,59,65)(H,60,64)(H,61,68)(H,69,70)(H,71,72)(H4,49,50,53)(H4,51,52,54)/b18-17+,26-23+,31-7+/t27-,28-,29+,32-,33-,34-,35+,36+,37-/m0/s1
+CH$LINK: PUBCHEM CID:117064449
+CH$LINK: INCHIKEY JIVQGWHGELHXHV-UTGMKIGISA-N
+CH$LINK: CHEMSPIDER 49071896
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 106-1064
+AC$CHROMATOGRAPHY: COLUMN_NAME Acwuity UPLC HSS T3 1.8um, 3x100mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 85/15 at 0 min, 0/100 at 21 min, 0/100 at 25 min, 2/98 at 25.1 min, 2/98 at 31 min, 85/15 at 31.1 min, 85/15 at 33 min
+AC$CHROMATOGRAPHY: FLOW_RATE 300 uL/min at 0 min, 650 uL/min at 25.1 min, 300 uL/min at 31.1 min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.045 min
+MS$FOCUSED_ION: BASE_PEAK 146.9384
+MS$FOCUSED_ION: PRECURSOR_M/Z 1022.5429
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-00di-9000000000-171bf51bc7a3b92451f0
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  1004.5334 C48H70N13O11- 1 1004.5323 1.03
+  1022.5428 C48H72N13O12- 1 1022.5429 -0.12
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  1004.5334 55254.5 14
+  1022.5428 3716917 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED196252.txt b/Eawag/MSBNK-EAWAG-ED196252.txt
new file mode 100644
index 0000000000..ee153c2508
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED196252.txt
@@ -0,0 +1,46 @@
+ACCESSION: MSBNK-EAWAG-ED196252
+RECORD_TITLE: [D-Asp3,(E)-Dhb7]MC-RR; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], V. Rouge [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1962
+CH$NAME: [D-Asp3,(E)-Dhb7]MC-RR
+CH$NAME: (2E,5R,8S,11R,15S,18S,19S,22R)-8,15-bis[3-(diaminomethylideneamino)propyl]-2-ethylidene-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-5,19-dimethyl-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C48H73N13O12
+CH$EXACT_MASS: 1023.550165
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)C[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)NC(=O)C(=C\C)/NC(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C48H73N13O12/c1-7-31-42(66)55-29(5)41(65)59-34(16-12-22-54-48(51)52)44(68)61-36(46(71)72)25-39(63)57-33(15-11-21-53-47(49)50)43(67)58-32(28(4)40(64)60-35(45(69)70)19-20-38(62)56-31)18-17-26(2)23-27(3)37(73-6)24-30-13-9-8-10-14-30/h7-10,13-14,17-18,23,27-29,32-37H,11-12,15-16,19-22,24-25H2,1-6H3,(H,55,66)(H,56,62)(H,57,63)(H,58,67)(H,59,65)(H,60,64)(H,61,68)(H,69,70)(H,71,72)(H4,49,50,53)(H4,51,52,54)/b18-17+,26-23+,31-7+/t27-,28-,29+,32-,33-,34-,35+,36+,37-/m0/s1
+CH$LINK: PUBCHEM CID:117064449
+CH$LINK: INCHIKEY JIVQGWHGELHXHV-UTGMKIGISA-N
+CH$LINK: CHEMSPIDER 49071896
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 106-1064
+AC$CHROMATOGRAPHY: COLUMN_NAME Acwuity UPLC HSS T3 1.8um, 3x100mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 85/15 at 0 min, 0/100 at 21 min, 0/100 at 25 min, 2/98 at 25.1 min, 2/98 at 31 min, 85/15 at 31.1 min, 85/15 at 33 min
+AC$CHROMATOGRAPHY: FLOW_RATE 300 uL/min at 0 min, 650 uL/min at 25.1 min, 300 uL/min at 31.1 min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.045 min
+MS$FOCUSED_ION: BASE_PEAK 146.9384
+MS$FOCUSED_ION: PRECURSOR_M/Z 1022.5429
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-00di-9000000000-4abf6f9ce64f4e8164a3
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  1004.5316 C48H70N13O11- 1 1004.5323 -0.67
+  1022.5429 C48H72N13O12- 1 1022.5429 0
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  1004.5316 317963.8 106
+  1022.5429 2981356 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED196253.txt b/Eawag/MSBNK-EAWAG-ED196253.txt
new file mode 100644
index 0000000000..492281eac4
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED196253.txt
@@ -0,0 +1,48 @@
+ACCESSION: MSBNK-EAWAG-ED196253
+RECORD_TITLE: [D-Asp3,(E)-Dhb7]MC-RR; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], V. Rouge [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1962
+CH$NAME: [D-Asp3,(E)-Dhb7]MC-RR
+CH$NAME: (2E,5R,8S,11R,15S,18S,19S,22R)-8,15-bis[3-(diaminomethylideneamino)propyl]-2-ethylidene-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-5,19-dimethyl-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C48H73N13O12
+CH$EXACT_MASS: 1023.550165
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)C[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)NC(=O)C(=C\C)/NC(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C48H73N13O12/c1-7-31-42(66)55-29(5)41(65)59-34(16-12-22-54-48(51)52)44(68)61-36(46(71)72)25-39(63)57-33(15-11-21-53-47(49)50)43(67)58-32(28(4)40(64)60-35(45(69)70)19-20-38(62)56-31)18-17-26(2)23-27(3)37(73-6)24-30-13-9-8-10-14-30/h7-10,13-14,17-18,23,27-29,32-37H,11-12,15-16,19-22,24-25H2,1-6H3,(H,55,66)(H,56,62)(H,57,63)(H,58,67)(H,59,65)(H,60,64)(H,61,68)(H,69,70)(H,71,72)(H4,49,50,53)(H4,51,52,54)/b18-17+,26-23+,31-7+/t27-,28-,29+,32-,33-,34-,35+,36+,37-/m0/s1
+CH$LINK: PUBCHEM CID:117064449
+CH$LINK: INCHIKEY JIVQGWHGELHXHV-UTGMKIGISA-N
+CH$LINK: CHEMSPIDER 49071896
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 106-1064
+AC$CHROMATOGRAPHY: COLUMN_NAME Acwuity UPLC HSS T3 1.8um, 3x100mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 85/15 at 0 min, 0/100 at 21 min, 0/100 at 25 min, 2/98 at 25.1 min, 2/98 at 31 min, 85/15 at 31.1 min, 85/15 at 33 min
+AC$CHROMATOGRAPHY: FLOW_RATE 300 uL/min at 0 min, 650 uL/min at 25.1 min, 300 uL/min at 31.1 min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.045 min
+MS$FOCUSED_ION: BASE_PEAK 146.9384
+MS$FOCUSED_ION: PRECURSOR_M/Z 1022.5429
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0fk9-9000000000-f764ada5ea81461b2022
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  980.5203 C47H70N11O12- 1 980.5211 -0.79
+  1004.5321 C48H70N13O11- 1 1004.5323 -0.19
+  1022.5428 C48H72N13O12- 1 1022.5429 -0.12
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  980.5203 58590.1 27
+  1004.5321 1076799.9 512
+  1022.5428 2099842 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED196254.txt b/Eawag/MSBNK-EAWAG-ED196254.txt
new file mode 100644
index 0000000000..2f4d217a7d
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED196254.txt
@@ -0,0 +1,52 @@
+ACCESSION: MSBNK-EAWAG-ED196254
+RECORD_TITLE: [D-Asp3,(E)-Dhb7]MC-RR; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], V. Rouge [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1962
+CH$NAME: [D-Asp3,(E)-Dhb7]MC-RR
+CH$NAME: (2E,5R,8S,11R,15S,18S,19S,22R)-8,15-bis[3-(diaminomethylideneamino)propyl]-2-ethylidene-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-5,19-dimethyl-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C48H73N13O12
+CH$EXACT_MASS: 1023.550165
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)C[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)NC(=O)C(=C\C)/NC(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C48H73N13O12/c1-7-31-42(66)55-29(5)41(65)59-34(16-12-22-54-48(51)52)44(68)61-36(46(71)72)25-39(63)57-33(15-11-21-53-47(49)50)43(67)58-32(28(4)40(64)60-35(45(69)70)19-20-38(62)56-31)18-17-26(2)23-27(3)37(73-6)24-30-13-9-8-10-14-30/h7-10,13-14,17-18,23,27-29,32-37H,11-12,15-16,19-22,24-25H2,1-6H3,(H,55,66)(H,56,62)(H,57,63)(H,58,67)(H,59,65)(H,60,64)(H,61,68)(H,69,70)(H,71,72)(H4,49,50,53)(H4,51,52,54)/b18-17+,26-23+,31-7+/t27-,28-,29+,32-,33-,34-,35+,36+,37-/m0/s1
+CH$LINK: PUBCHEM CID:117064449
+CH$LINK: INCHIKEY JIVQGWHGELHXHV-UTGMKIGISA-N
+CH$LINK: CHEMSPIDER 49071896
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 106-1064
+AC$CHROMATOGRAPHY: COLUMN_NAME Acwuity UPLC HSS T3 1.8um, 3x100mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 85/15 at 0 min, 0/100 at 21 min, 0/100 at 25 min, 2/98 at 25.1 min, 2/98 at 31 min, 85/15 at 31.1 min, 85/15 at 33 min
+AC$CHROMATOGRAPHY: FLOW_RATE 300 uL/min at 0 min, 650 uL/min at 25.1 min, 300 uL/min at 31.1 min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.045 min
+MS$FOCUSED_ION: BASE_PEAK 146.9384
+MS$FOCUSED_ION: PRECURSOR_M/Z 1022.5429
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0udi-9000000000-dad3748f3ed51c5a91fa
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  128.0351 C5H6NO3- 1 128.0353 -1.4
+  326.1938 C12H28N3O7- 4 326.1933 1.58
+  354.1882 C13H28N3O8- 6 354.1882 0.15
+  1004.5323 C48H70N13O11- 1 1004.5323 -0.07
+  1022.543 C48H72N13O12- 1 1022.5429 0.06
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  128.0351 25275.9 20
+  326.1938 34847.1 28
+  354.1882 70633.4 56
+  1004.5323 1242217.5 999
+  1022.543 591082.2 475
+//
diff --git a/Eawag/MSBNK-EAWAG-ED196255.txt b/Eawag/MSBNK-EAWAG-ED196255.txt
new file mode 100644
index 0000000000..cbbec42c7b
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED196255.txt
@@ -0,0 +1,52 @@
+ACCESSION: MSBNK-EAWAG-ED196255
+RECORD_TITLE: [D-Asp3,(E)-Dhb7]MC-RR; LC-ESI-QFT; MS2; CE: 35%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], V. Rouge [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1962
+CH$NAME: [D-Asp3,(E)-Dhb7]MC-RR
+CH$NAME: (2E,5R,8S,11R,15S,18S,19S,22R)-8,15-bis[3-(diaminomethylideneamino)propyl]-2-ethylidene-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-5,19-dimethyl-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C48H73N13O12
+CH$EXACT_MASS: 1023.550165
+CH$SMILES: C[C@@H](\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)C[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)NC(=O)C(=C\C)/NC(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O)[C@H](Cc1ccccc1)OC
+CH$IUPAC: InChI=1S/C48H73N13O12/c1-7-31-42(66)55-29(5)41(65)59-34(16-12-22-54-48(51)52)44(68)61-36(46(71)72)25-39(63)57-33(15-11-21-53-47(49)50)43(67)58-32(28(4)40(64)60-35(45(69)70)19-20-38(62)56-31)18-17-26(2)23-27(3)37(73-6)24-30-13-9-8-10-14-30/h7-10,13-14,17-18,23,27-29,32-37H,11-12,15-16,19-22,24-25H2,1-6H3,(H,55,66)(H,56,62)(H,57,63)(H,58,67)(H,59,65)(H,60,64)(H,61,68)(H,69,70)(H,71,72)(H4,49,50,53)(H4,51,52,54)/b18-17+,26-23+,31-7+/t27-,28-,29+,32-,33-,34-,35+,36+,37-/m0/s1
+CH$LINK: PUBCHEM CID:117064449
+CH$LINK: INCHIKEY JIVQGWHGELHXHV-UTGMKIGISA-N
+CH$LINK: CHEMSPIDER 49071896
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 35 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 106-1064
+AC$CHROMATOGRAPHY: COLUMN_NAME Acwuity UPLC HSS T3 1.8um, 3x100mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 85/15 at 0 min, 0/100 at 21 min, 0/100 at 25 min, 2/98 at 25.1 min, 2/98 at 31 min, 85/15 at 31.1 min, 85/15 at 33 min
+AC$CHROMATOGRAPHY: FLOW_RATE 300 uL/min at 0 min, 650 uL/min at 25.1 min, 300 uL/min at 31.1 min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.045 min
+MS$FOCUSED_ION: BASE_PEAK 146.9384
+MS$FOCUSED_ION: PRECURSOR_M/Z 1022.5429
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0udi-9202200000-6c643a8f38cd46374450
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  128.0354 C5H6NO3- 1 128.0353 0.63
+  354.1886 C13H28N3O8- 5 354.1882 1.27
+  437.2261 C18H29N8O5- 9 437.2266 -1.32
+  566.3008 C33H38N6O3- 9 566.3011 -0.51
+  1004.5324 C48H70N13O11- 1 1004.5323 0.12
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  128.0354 123799.3 284
+  354.1886 130935.3 301
+  437.2261 102162.6 235
+  566.3008 28267.9 65
+  1004.5324 434164.8 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED197201.txt b/Eawag/MSBNK-EAWAG-ED197201.txt
new file mode 100644
index 0000000000..6b3a362284
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED197201.txt
@@ -0,0 +1,93 @@
+ACCESSION: MSBNK-EAWAG-ED197201
+RECORD_TITLE: [Leu1]MC-LY; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], K. Thomas [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1972
+CH$NAME: [Leu1]MC-LY
+CH$NAME: [D-Leu1]MC-LY
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[(4-hydroxyphenyl)methyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,12,19-trimethyl-2-methylidene-5,8-bis(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C55H77N7O13
+CH$EXACT_MASS: 1043.557936
+CH$SMILES: O=C(N(C)C(C(N[C@@H](C1=O)CC(C)C)=O)=C)CC[C@H](C(O)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CC3=CC=C(O)C=C3)NC([C@@H](C)[C@H](C(O)=O)NC([C@@H](N1)CC(C)C)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C55H77N7O13/c1-30(2)25-42-51(68)60-43(26-31(3)4)53(70)61-47(55(73)74)35(8)49(66)58-44(28-38-18-20-39(63)21-19-38)52(69)56-40(22-17-32(5)27-33(6)45(75-11)29-37-15-13-12-14-16-37)34(7)48(65)57-41(54(71)72)23-24-46(64)62(10)36(9)50(67)59-42/h12-22,27,30-31,33-35,40-45,47,63H,9,23-26,28-29H2,1-8,10-11H3,(H,56,69)(H,57,65)(H,58,66)(H,59,67)(H,60,68)(H,61,70)(H,71,72)(H,73,74)/b22-17+,32-27+/t33-,34-,35-,40-,41+,42+,43-,44-,45-,47+/m0/s1
+CH$LINK: PUBCHEM CID:139594199
+CH$LINK: INCHIKEY ANDKUSLFYHFLNO-WVYYMHGOSA-N
+CH$LINK: CHEMSPIDER 90631601
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 108-1086
+AC$CHROMATOGRAPHY: COLUMN_NAME Acwuity UPLC HSS T3 1.8um, 3x100mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 85/15 at 0 min, 0/100 at 21 min, 0/100 at 25 min, 2/98 at 25.1 min, 2/98 at 31 min, 85/15 at 31.1 min, 85/15 at 33 min
+AC$CHROMATOGRAPHY: FLOW_RATE 300 uL/min at 0 min, 650 uL/min at 25.1 min, 300 uL/min at 31.1 min
+AC$CHROMATOGRAPHY: RETENTION_TIME 13.160 min
+MS$FOCUSED_ION: BASE_PEAK 1044.5616
+MS$FOCUSED_ION: PRECURSOR_M/Z 1044.5652
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0006-9000023023-1c2b8bc858558be24476
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  258.184 C15H22N4+ 4 258.1839 0.39
+  310.1372 C12H18N6O4+ 3 310.1384 -3.85
+  375.1897 C18H25N5O4+ 3 375.1901 -1.06
+  423.2219 C18H29N7O5+ 5 423.2225 -1.44
+  477.2354 C25H35NO8+ 5 477.2357 -0.65
+  488.2734 C23H40N2O9+ 5 488.2728 1.14
+  509.2628 C27H35N5O5+ 5 509.2633 -0.92
+  518.2952 C23H42N4O9+ 7 518.2946 1.15
+  519.2796 C24H37N7O6+ 6 519.28 -0.71
+  536.3061 C38H38N3+ 6 536.306 0.17
+  590.3201 C31H46N2O9+ 5 590.3198 0.52
+  601.3561 C26H53N2O13+ 8 601.3542 3.08
+  602.3166 C42H40N3O+ 8 602.3166 -0.02
+  619.3432 C42H43N4O+ 8 619.3431 0.09
+  622.3472 C35H48N3O7+ 8 622.3487 -2.31
+  703.4059 C35H55N6O9+ 8 703.4025 4.76
+  730.3836 C40H52N5O8+ 8 730.381 3.53
+  859.4956 C46H71N2O13+ 6 859.4951 0.59
+  892.4804 C46H66N7O11+ 4 892.4815 -1.25
+  893.4646 C46H65N6O12+ 4 893.4655 -1.05
+  910.4911 C46H68N7O12+ 3 910.492 -1.07
+  1012.5384 C54H74N7O12+ 1 1012.539 -0.64
+  1026.5541 C55H76N7O12+ 1 1026.5546 -0.53
+  1027.538 C55H75N6O13+ 1 1027.5387 -0.65
+  1044.5644 C55H78N7O13+ 1 1044.5652 -0.81
+PK$NUM_PEAK: 25
+PK$PEAK: m/z int. rel.int.
+  258.184 622699.2 27
+  310.1372 335654.2 15
+  375.1897 911608.6 40
+  423.2219 1440781.9 64
+  477.2354 268037.1 12
+  488.2734 1020876.6 45
+  509.2628 1400270.5 62
+  518.2952 441402.3 19
+  519.2796 847880 38
+  536.3061 7215309 323
+  590.3201 222863.3 9
+  601.3561 3257015.8 146
+  602.3166 2161040.5 96
+  619.3432 3560317.2 159
+  622.3472 1491256.9 66
+  703.4059 424770.5 19
+  730.3836 658777.3 29
+  859.4956 1478501.5 66
+  892.4804 2237394.5 100
+  893.4646 5500805 246
+  910.4911 12988426 582
+  1012.5384 1669875.1 74
+  1026.5541 3810189.2 170
+  1027.538 3231276.8 144
+  1044.5644 22279326 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED197202.txt b/Eawag/MSBNK-EAWAG-ED197202.txt
new file mode 100644
index 0000000000..f95176cbe6
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED197202.txt
@@ -0,0 +1,149 @@
+ACCESSION: MSBNK-EAWAG-ED197202
+RECORD_TITLE: [Leu1]MC-LY; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], K. Thomas [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1972
+CH$NAME: [Leu1]MC-LY
+CH$NAME: [D-Leu1]MC-LY
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[(4-hydroxyphenyl)methyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,12,19-trimethyl-2-methylidene-5,8-bis(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C55H77N7O13
+CH$EXACT_MASS: 1043.557936
+CH$SMILES: O=C(N(C)C(C(N[C@@H](C1=O)CC(C)C)=O)=C)CC[C@H](C(O)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CC3=CC=C(O)C=C3)NC([C@@H](C)[C@H](C(O)=O)NC([C@@H](N1)CC(C)C)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C55H77N7O13/c1-30(2)25-42-51(68)60-43(26-31(3)4)53(70)61-47(55(73)74)35(8)49(66)58-44(28-38-18-20-39(63)21-19-38)52(69)56-40(22-17-32(5)27-33(6)45(75-11)29-37-15-13-12-14-16-37)34(7)48(65)57-41(54(71)72)23-24-46(64)62(10)36(9)50(67)59-42/h12-22,27,30-31,33-35,40-45,47,63H,9,23-26,28-29H2,1-8,10-11H3,(H,56,69)(H,57,65)(H,58,66)(H,59,67)(H,60,68)(H,61,70)(H,71,72)(H,73,74)/b22-17+,32-27+/t33-,34-,35-,40-,41+,42+,43-,44-,45-,47+/m0/s1
+CH$LINK: PUBCHEM CID:139594199
+CH$LINK: INCHIKEY ANDKUSLFYHFLNO-WVYYMHGOSA-N
+CH$LINK: CHEMSPIDER 90631601
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 108-1086
+AC$CHROMATOGRAPHY: COLUMN_NAME Acwuity UPLC HSS T3 1.8um, 3x100mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 85/15 at 0 min, 0/100 at 21 min, 0/100 at 25 min, 2/98 at 25.1 min, 2/98 at 31 min, 85/15 at 31.1 min, 85/15 at 33 min
+AC$CHROMATOGRAPHY: FLOW_RATE 300 uL/min at 0 min, 650 uL/min at 25.1 min, 300 uL/min at 31.1 min
+AC$CHROMATOGRAPHY: RETENTION_TIME 13.160 min
+MS$FOCUSED_ION: BASE_PEAK 1044.5616
+MS$FOCUSED_ION: PRECURSOR_M/Z 1044.5652
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0gw0-2246597022-e054aaf437adb7ff23fc
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  124.1119 C8H14N+ 1 124.1121 -1.28
+  135.0803 C9H11O+ 1 135.0804 -0.93
+  143.0854 C11H11+ 1 143.0855 -1.15
+  163.1114 C11H15O+ 1 163.1117 -1.81
+  169.1328 C9H17N2O+ 2 169.1335 -4.37
+  195.0754 C7H9N5O2+ 1 195.0751 1.49
+  197.1274 C8H15N5O+ 1 197.1271 1.48
+  209.1316 CH23NO10+ 2 209.1316 -0.3
+  213.0859 C7H11N5O3+ 1 213.0856 1.25
+  218.1527 C12H18N4+ 1 218.1526 0.35
+  226.1582 CH26N2O10+ 2 226.1582 0.12
+  227.1743 C10H21N5O+ 2 227.1741 1.05
+  237.1629 C3H27NO10+ 2 237.1629 -0.36
+  246.1473 C13H18N4O+ 4 246.1475 -0.93
+  258.1841 C15H22N4+ 4 258.1839 0.62
+  265.117 C11H15N5O3+ 2 265.1169 0.4
+  265.1574 C17H19N3+ 4 265.1573 0.27
+  279.1688 C13H21N5O2+ 3 279.169 -0.67
+  293.1121 C12H15N5O4+ 2 293.1119 0.95
+  297.184 C5H31NO12+ 5 297.1841 -0.22
+  310.1385 C12H18N6O4+ 3 310.1384 0.38
+  310.2091 C13H30N2O6+ 2 310.2098 -2.25
+  314.2108 C5H34N2O12+ 5 314.2106 0.43
+  320.1993 C5H30N5O10+ 4 320.1987 1.74
+  329.184 C2H29N6O12+ 4 329.1838 0.66
+  347.1961 C17H25N5O3+ 4 347.1952 2.5
+  375.1897 C18H25N5O4+ 3 375.1901 -1.14
+  378.2006 C17H26N6O4+ 3 378.201 -1.13
+  405.2107 C18H27N7O4+ 5 405.2119 -2.95
+  406.1954 C18H26N6O5+ 3 406.1959 -1.29
+  423.222 C18H29N7O5+ 4 423.2225 -1.01
+  439.2532 C18H37N3O9+ 5 439.2524 1.8
+  472.2398 C22H36N2O9+ 6 472.2415 -3.72
+  488.2733 C23H40N2O9+ 5 488.2728 0.89
+  509.2626 C27H35N5O5+ 5 509.2633 -1.28
+  519.2799 C24H37N7O6+ 5 519.28 -0.13
+  536.3061 C38H38N3+ 6 536.306 0.06
+  550.2859 C38H36N3O+ 7 550.2853 1.18
+  574.3218 C41H40N3+ 7 574.3217 0.29
+  583.353 C37H47N2O4+ 8 583.353 -0.07
+  601.3555 C26H53N2O13+ 9 601.3542 2.06
+  602.3163 C42H40N3O+ 8 602.3166 -0.53
+  622.3471 C35H48N3O7+ 8 622.3487 -2.6
+  730.3834 C40H52N5O8+ 8 730.381 3.28
+  859.4952 C46H71N2O13+ 6 859.4951 0.16
+  892.4813 C46H66N7O11+ 5 892.4815 -0.15
+  893.4654 C46H65N6O12+ 5 893.4655 -0.09
+  910.4911 C46H68N7O12+ 3 910.492 -1
+  994.5292 C54H72N7O11+ 1 994.5284 0.82
+  1012.5373 C54H74N7O12+ 1 1012.539 -1.72
+  1026.5539 C55H76N7O12+ 1 1026.5546 -0.77
+  1027.5399 C55H75N6O13+ 1 1027.5387 1.25
+  1044.5647 C55H78N7O13+ 1 1044.5652 -0.46
+PK$NUM_PEAK: 53
+PK$PEAK: m/z int. rel.int.
+  124.1119 98051.8 14
+  135.0803 753675.2 107
+  143.0854 109478.6 15
+  163.1114 1112284.8 159
+  169.1328 152350.1 21
+  195.0754 534775.3 76
+  197.1274 385807.9 55
+  209.1316 80231.5 11
+  213.0859 799011.3 114
+  218.1527 92300.9 13
+  226.1582 187234.2 26
+  227.1743 95842.6 13
+  237.1629 315366.8 45
+  246.1473 239634.7 34
+  258.1841 1657877.4 237
+  265.117 693616.1 99
+  265.1574 512798.4 73
+  279.1688 189556.9 27
+  293.1121 360003.1 51
+  297.184 581682.9 83
+  310.1385 2055078.2 293
+  310.2091 886479.6 126
+  314.2108 134077.2 19
+  320.1993 98685.8 14
+  329.184 169293 24
+  347.1961 402755.2 57
+  375.1897 4605328.5 658
+  378.2006 133430.1 19
+  405.2107 189710.1 27
+  406.1954 415391.2 59
+  423.222 1951510.6 278
+  439.2532 1057044.4 151
+  472.2398 92892.4 13
+  488.2733 3777422 540
+  509.2626 2176057.2 311
+  519.2799 1658114 237
+  536.3061 6988156.5 999
+  550.2859 450673.1 64
+  574.3218 1055179.1 150
+  583.353 149417.5 21
+  601.3555 3635977.2 519
+  602.3163 4271912.5 610
+  622.3471 2364133 337
+  730.3834 897902.3 128
+  859.4952 422519.8 60
+  892.4813 1718807.5 245
+  893.4654 1436593.8 205
+  910.4911 3633840.2 519
+  994.5292 159493.4 22
+  1012.5373 360281.5 51
+  1026.5539 1368637.6 195
+  1027.5399 538755.4 77
+  1044.5647 1688719.4 241
+//
diff --git a/Eawag/MSBNK-EAWAG-ED197203.txt b/Eawag/MSBNK-EAWAG-ED197203.txt
new file mode 100644
index 0000000000..54956d84a3
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED197203.txt
@@ -0,0 +1,167 @@
+ACCESSION: MSBNK-EAWAG-ED197203
+RECORD_TITLE: [Leu1]MC-LY; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], K. Thomas [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1972
+CH$NAME: [Leu1]MC-LY
+CH$NAME: [D-Leu1]MC-LY
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[(4-hydroxyphenyl)methyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,12,19-trimethyl-2-methylidene-5,8-bis(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C55H77N7O13
+CH$EXACT_MASS: 1043.557936
+CH$SMILES: O=C(N(C)C(C(N[C@@H](C1=O)CC(C)C)=O)=C)CC[C@H](C(O)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CC3=CC=C(O)C=C3)NC([C@@H](C)[C@H](C(O)=O)NC([C@@H](N1)CC(C)C)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C55H77N7O13/c1-30(2)25-42-51(68)60-43(26-31(3)4)53(70)61-47(55(73)74)35(8)49(66)58-44(28-38-18-20-39(63)21-19-38)52(69)56-40(22-17-32(5)27-33(6)45(75-11)29-37-15-13-12-14-16-37)34(7)48(65)57-41(54(71)72)23-24-46(64)62(10)36(9)50(67)59-42/h12-22,27,30-31,33-35,40-45,47,63H,9,23-26,28-29H2,1-8,10-11H3,(H,56,69)(H,57,65)(H,58,66)(H,59,67)(H,60,68)(H,61,70)(H,71,72)(H,73,74)/b22-17+,32-27+/t33-,34-,35-,40-,41+,42+,43-,44-,45-,47+/m0/s1
+CH$LINK: PUBCHEM CID:139594199
+CH$LINK: INCHIKEY ANDKUSLFYHFLNO-WVYYMHGOSA-N
+CH$LINK: CHEMSPIDER 90631601
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 108-1086
+AC$CHROMATOGRAPHY: COLUMN_NAME Acwuity UPLC HSS T3 1.8um, 3x100mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 85/15 at 0 min, 0/100 at 21 min, 0/100 at 25 min, 2/98 at 25.1 min, 2/98 at 31 min, 85/15 at 31.1 min, 85/15 at 33 min
+AC$CHROMATOGRAPHY: FLOW_RATE 300 uL/min at 0 min, 650 uL/min at 25.1 min, 300 uL/min at 31.1 min
+AC$CHROMATOGRAPHY: RETENTION_TIME 13.160 min
+MS$FOCUSED_ION: BASE_PEAK 1044.5616
+MS$FOCUSED_ION: PRECURSOR_M/Z 1044.5652
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-01ri-0689531000-073481c7b523d47c3e31
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  124.1119 C8H14N+ 1 124.1121 -1.65
+  131.0851 C10H11+ 1 131.0855 -3.33
+  135.0803 C9H11O+ 1 135.0804 -0.82
+  135.1164 C10H15+ 1 135.1168 -3.14
+  136.0756 C8H10NO+ 1 136.0757 -0.81
+  138.0548 C7H8NO2+ 1 138.055 -1.13
+  143.0855 C11H11+ 1 143.0855 -0.51
+  161.0959 C11H13O+ 1 161.0961 -1.15
+  163.1114 C11H15O+ 1 163.1117 -2
+  167.0815 C8H11N2O2+ 1 167.0815 0.02
+  169.1331 C9H17N2O+ 1 169.1335 -2.48
+  173.0956 C12H13O+ 1 173.0961 -2.72
+  175.1109 C12H15O+ 2 175.1117 -4.86
+  195.0755 C7H9N5O2+ 2 195.0751 2.42
+  197.1276 C8H15N5O+ 2 197.1271 2.25
+  199.1799 C9H21N5+ 2 199.1791 3.85
+  209.1321 CH23NO10+ 3 209.1316 2.03
+  213.0859 C7H11N5O3+ 1 213.0856 1.11
+  218.1528 C12H18N4+ 1 218.1526 1.12
+  223.1073 C9H13N5O2+ 2 223.1064 4.04
+  225.1257 C14H15N3+ 2 225.126 -1.76
+  226.1578 CH26N2O10+ 1 226.1582 -1.77
+  227.1745 C10H21N5O+ 2 227.1741 2.12
+  237.1625 C3H27NO10+ 2 237.1629 -1.78
+  239.0649 C8H9N5O4+ 1 239.0649 -0.02
+  243.133 C9H17N5O3+ 2 243.1326 1.86
+  246.1476 C13H18N4O+ 2 246.1475 0.25
+  247.1063 C11H13N5O2+ 1 247.1064 -0.34
+  258.1837 C15H22N4+ 4 258.1839 -0.91
+  265.117 C11H15N5O3+ 2 265.1169 0.17
+  265.1571 C17H19N3+ 3 265.1573 -0.99
+  269.1121 C10H15N5O4+ 2 269.1119 0.79
+  274.142 C14H18N4O2+ 4 274.1424 -1.47
+  282.1842 C4H30N2O11+ 4 282.1844 -0.65
+  292.2011 CH32N4O12+ 4 292.2011 0.01
+  293.112 C12H15N5O4+ 3 293.1119 0.43
+  297.184 C5H31NO12+ 5 297.1841 -0.12
+  308.1588 C13H20N6O3+ 2 308.1591 -1.11
+  310.1388 C12H18N6O4+ 2 310.1384 1.36
+  310.2101 C13H30N2O6+ 2 310.2098 0.8
+  320.1999 C5H30N5O10+ 5 320.1987 3.55
+  326.1696 C15H24N3O5+ 3 326.171 -4.43
+  347.1951 C17H25N5O3+ 4 347.1952 -0.31
+  348.1951 C8H32N2O12+ 5 348.195 0.46
+  357.1795 C18H23N5O3+ 4 357.1795 -0.19
+  375.1897 C18H25N5O4+ 3 375.1901 -1.06
+  378.2008 C17H26N6O4+ 3 378.201 -0.48
+  393.2484 C19H37O8+ 4 393.2483 0.35
+  405.2119 C18H27N7O4+ 4 405.2119 -0.01
+  423.222 C18H29N7O5+ 4 423.2225 -1.15
+  439.2531 C18H37N3O9+ 5 439.2524 1.59
+  477.2353 C25H35NO8+ 5 477.2357 -0.78
+  488.2734 C23H40N2O9+ 5 488.2728 1.08
+  518.2952 C23H42N4O9+ 7 518.2946 1.15
+  519.2797 C24H37N7O6+ 6 519.28 -0.6
+  536.3061 C38H38N3+ 6 536.306 0.06
+  550.2851 C38H36N3O+ 8 550.2853 -0.26
+  574.3218 C41H40N3+ 7 574.3217 0.18
+  590.3197 C31H46N2O9+ 6 590.3198 -0.21
+  601.3516 C39H45N4O2+ 7 601.3537 -3.48
+  619.3433 C42H43N4O+ 9 619.3431 0.19
+  622.3474 C35H48N3O7+ 7 622.3487 -2.02
+PK$NUM_PEAK: 62
+PK$PEAK: m/z int. rel.int.
+  124.1119 354687.5 57
+  131.0851 81695.8 13
+  135.0803 2180414 352
+  135.1164 381589.7 61
+  136.0756 347342.4 56
+  138.0548 130407.4 21
+  143.0855 236629.3 38
+  161.0959 178557.3 28
+  163.1114 2251503.2 363
+  167.0815 88146.8 14
+  169.1331 811141.8 130
+  173.0956 120569.7 19
+  175.1109 136107.3 21
+  195.0755 696508.5 112
+  197.1276 1602460 258
+  199.1799 187321.2 30
+  209.1321 121820.5 19
+  213.0859 2223044 358
+  218.1528 231717.8 37
+  223.1073 67001.1 10
+  225.1257 96064.3 15
+  226.1578 301907.8 48
+  227.1745 339325.5 54
+  237.1625 728334 117
+  239.0649 136173 21
+  243.133 158795.1 25
+  246.1476 646406.9 104
+  247.1063 192062.5 31
+  258.1837 1614106.4 260
+  265.117 1855032.6 299
+  265.1571 808859.6 130
+  269.1121 104903.9 16
+  274.142 106217 17
+  282.1842 323480.3 52
+  292.2011 104923.1 16
+  293.112 1339444.6 216
+  297.184 517891.9 83
+  308.1588 80289.3 12
+  310.1388 2722692.2 439
+  310.2101 1769481 285
+  320.1999 114786.4 18
+  326.1696 75790.2 12
+  347.1951 987444.3 159
+  348.1951 107174.7 17
+  357.1795 224414.4 36
+  375.1897 6187609 999
+  378.2008 334157.9 53
+  393.2484 238193.4 38
+  405.2119 369673.7 59
+  423.222 1505448.4 243
+  439.2531 2106402.5 340
+  477.2353 729130.6 117
+  488.2734 2983446.8 481
+  518.2952 398760.2 64
+  519.2797 857031 138
+  536.3061 2255166.5 364
+  550.2851 320418.7 51
+  574.3218 1033801.6 166
+  590.3197 194291.7 31
+  601.3516 965909.8 155
+  619.3433 375877.8 60
+  622.3474 889224 143
+//
diff --git a/Eawag/MSBNK-EAWAG-ED197204.txt b/Eawag/MSBNK-EAWAG-ED197204.txt
new file mode 100644
index 0000000000..0cf7562969
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED197204.txt
@@ -0,0 +1,193 @@
+ACCESSION: MSBNK-EAWAG-ED197204
+RECORD_TITLE: [Leu1]MC-LY; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], K. Thomas [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1972
+CH$NAME: [Leu1]MC-LY
+CH$NAME: [D-Leu1]MC-LY
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[(4-hydroxyphenyl)methyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,12,19-trimethyl-2-methylidene-5,8-bis(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C55H77N7O13
+CH$EXACT_MASS: 1043.557936
+CH$SMILES: O=C(N(C)C(C(N[C@@H](C1=O)CC(C)C)=O)=C)CC[C@H](C(O)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CC3=CC=C(O)C=C3)NC([C@@H](C)[C@H](C(O)=O)NC([C@@H](N1)CC(C)C)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C55H77N7O13/c1-30(2)25-42-51(68)60-43(26-31(3)4)53(70)61-47(55(73)74)35(8)49(66)58-44(28-38-18-20-39(63)21-19-38)52(69)56-40(22-17-32(5)27-33(6)45(75-11)29-37-15-13-12-14-16-37)34(7)48(65)57-41(54(71)72)23-24-46(64)62(10)36(9)50(67)59-42/h12-22,27,30-31,33-35,40-45,47,63H,9,23-26,28-29H2,1-8,10-11H3,(H,56,69)(H,57,65)(H,58,66)(H,59,67)(H,60,68)(H,61,70)(H,71,72)(H,73,74)/b22-17+,32-27+/t33-,34-,35-,40-,41+,42+,43-,44-,45-,47+/m0/s1
+CH$LINK: PUBCHEM CID:139594199
+CH$LINK: INCHIKEY ANDKUSLFYHFLNO-WVYYMHGOSA-N
+CH$LINK: CHEMSPIDER 90631601
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 108-1086
+AC$CHROMATOGRAPHY: COLUMN_NAME Acwuity UPLC HSS T3 1.8um, 3x100mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 85/15 at 0 min, 0/100 at 21 min, 0/100 at 25 min, 2/98 at 25.1 min, 2/98 at 31 min, 85/15 at 31.1 min, 85/15 at 33 min
+AC$CHROMATOGRAPHY: FLOW_RATE 300 uL/min at 0 min, 650 uL/min at 25.1 min, 300 uL/min at 31.1 min
+AC$CHROMATOGRAPHY: RETENTION_TIME 13.160 min
+MS$FOCUSED_ION: BASE_PEAK 1044.5616
+MS$FOCUSED_ION: PRECURSOR_M/Z 1044.5652
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0409-0985200000-0a757ea7178250c93117
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  117.0698 C9H9+ 1 117.0699 -0.45
+  124.1119 C8H14N+ 1 124.1121 -1.4
+  130.0496 C5H8NO3+ 1 130.0499 -1.82
+  131.0854 C10H11+ 1 131.0855 -0.65
+  133.1015 C10H13+ 1 133.1012 2.14
+  135.0803 C9H11O+ 1 135.0804 -0.82
+  135.1165 C10H15+ 1 135.1168 -2.69
+  136.0755 C8H10NO+ 1 136.0757 -1.26
+  138.0547 C7H8NO2+ 1 138.055 -1.68
+  143.0858 C11H11+ 1 143.0855 1.94
+  145.101 C11H13+ 1 145.1012 -0.9
+  161.0958 C11H13O+ 1 161.0961 -1.72
+  162.1275 C11H16N+ 1 162.1277 -1.57
+  163.1114 C11H15O+ 1 163.1117 -1.91
+  167.0814 C8H11N2O2+ 1 167.0815 -0.71
+  169.1331 C9H17N2O+ 1 169.1335 -2.57
+  171.1169 C13H15+ 1 171.1168 0.49
+  173.0957 C12H13O+ 1 173.0961 -2.36
+  181.097 C9H13N2O2+ 1 181.0972 -0.88
+  182.0803 C7H10N4O2+ 1 182.0798 2.34
+  185.0916 C8H13N2O3+ 2 185.0921 -2.7
+  190.1221 C10H14N4+ 2 190.1213 4.17
+  195.0757 C7H9N5O2+ 2 195.0751 3.21
+  197.1276 C8H15N5O+ 2 197.1271 2.72
+  199.1796 C9H21N5+ 2 199.1791 2.39
+  204.1371 C11H16N4+ 1 204.1369 0.7
+  209.1314 CH23NO10+ 1 209.1316 -1.33
+  213.0859 C7H11N5O3+ 1 213.0856 1.18
+  218.1531 C12H18N4+ 2 218.1526 2.44
+  219.112 C10H13N5O+ 2 219.1115 2.47
+  223.107 C9H13N5O2+ 2 223.1064 2.68
+  226.1581 CH26N2O10+ 2 226.1582 -0.49
+  227.1743 C10H21N5O+ 2 227.1741 1.25
+  237.1624 C3H27NO10+ 2 237.1629 -2.23
+  239.0646 C8H9N5O4+ 2 239.0649 -1.36
+  243.1324 C9H17N5O3+ 2 243.1326 -0.78
+  246.1475 C13H18N4O+ 2 246.1475 0
+  247.1064 C11H13N5O2+ 1 247.1064 0.15
+  251.1741 C12H21N5O+ 1 251.1741 0.15
+  258.1839 C15H22N4+ 3 258.1839 0.03
+  265.117 C11H15N5O3+ 2 265.1169 0.4
+  265.1571 C17H19N3+ 3 265.1573 -1.11
+  269.1116 C10H15N5O4+ 2 269.1119 -0.8
+  269.189 C4H31NO11+ 4 269.1892 -0.59
+  274.1421 C14H18N4O2+ 4 274.1424 -1.25
+  275.1011 C12H13N5O3+ 2 275.1013 -0.8
+  279.1692 C13H21N5O2+ 3 279.169 0.75
+  282.1843 C4H30N2O11+ 4 282.1844 -0.33
+  292.1252 C11H20N2O7+ 4 292.1265 -4.46
+  293.1121 C12H15N5O4+ 2 293.1119 0.74
+  297.1837 C5H31NO12+ 5 297.1841 -1.35
+  309.1799 C16H25N2O4+ 3 309.1809 -3.05
+  310.1391 C12H18N6O4+ 2 310.1384 2.15
+  310.2103 C13H30N2O6+ 3 310.2098 1.39
+  314.2105 C5H34N2O12+ 5 314.2106 -0.54
+  320.1997 C5H30N5O10+ 5 320.1987 2.98
+  326.1694 C15H24N3O5+ 3 326.171 -5
+  329.184 C2H29N6O12+ 4 329.1838 0.66
+  347.1953 C17H25N5O3+ 4 347.1952 0.3
+  352.1485 C14H20N6O5+ 2 352.149 -1.23
+  356.2168 C15H28N6O4+ 3 356.2167 0.5
+  357.1788 C18H23N5O3+ 3 357.1795 -1.99
+  360.1895 C2H30N7O13+ 4 360.1896 -0.33
+  375.1897 C18H25N5O4+ 3 375.1901 -1.14
+  405.2112 C18H27N7O4+ 4 405.2119 -1.74
+  406.1954 C18H26N6O5+ 3 406.1959 -1.29
+  423.2219 C18H29N7O5+ 5 423.2225 -1.44
+  439.2536 C18H37N3O9+ 4 439.2524 2.56
+  472.242 C22H36N2O9+ 5 472.2415 0.94
+  477.2359 C25H35NO8+ 3 477.2357 0.31
+  488.2732 C23H40N2O9+ 5 488.2728 0.83
+  491.2847 C23H37N7O5+ 5 491.2851 -0.69
+  509.263 C27H35N5O5+ 5 509.2633 -0.5
+  518.295 C23H42N4O9+ 7 518.2946 0.79
+  982.5646 C54H76N7O10+ 2 982.5648 -0.18
+PK$NUM_PEAK: 75
+PK$PEAK: m/z int. rel.int.
+  117.0698 129586.7 23
+  124.1119 512503.4 93
+  130.0496 114664 21
+  131.0854 193450.3 35
+  133.1015 58344.7 10
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+  171.1169 76040.7 13
+  173.0957 167360.1 30
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+  472.242 150882.1 27
+  477.2359 462390.6 84
+  488.2732 949205.9 173
+  491.2847 472314.6 86
+  509.263 542268.6 99
+  518.295 160909.3 29
+  982.5646 70802.4 12
+//
diff --git a/Eawag/MSBNK-EAWAG-ED197205.txt b/Eawag/MSBNK-EAWAG-ED197205.txt
new file mode 100644
index 0000000000..2ee868a8c6
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED197205.txt
@@ -0,0 +1,169 @@
+ACCESSION: MSBNK-EAWAG-ED197205
+RECORD_TITLE: [Leu1]MC-LY; LC-ESI-QFT; MS2; CE: 35%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], K. Thomas [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1972
+CH$NAME: [Leu1]MC-LY
+CH$NAME: [D-Leu1]MC-LY
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[(4-hydroxyphenyl)methyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,12,19-trimethyl-2-methylidene-5,8-bis(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C55H77N7O13
+CH$EXACT_MASS: 1043.557936
+CH$SMILES: O=C(N(C)C(C(N[C@@H](C1=O)CC(C)C)=O)=C)CC[C@H](C(O)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CC3=CC=C(O)C=C3)NC([C@@H](C)[C@H](C(O)=O)NC([C@@H](N1)CC(C)C)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C55H77N7O13/c1-30(2)25-42-51(68)60-43(26-31(3)4)53(70)61-47(55(73)74)35(8)49(66)58-44(28-38-18-20-39(63)21-19-38)52(69)56-40(22-17-32(5)27-33(6)45(75-11)29-37-15-13-12-14-16-37)34(7)48(65)57-41(54(71)72)23-24-46(64)62(10)36(9)50(67)59-42/h12-22,27,30-31,33-35,40-45,47,63H,9,23-26,28-29H2,1-8,10-11H3,(H,56,69)(H,57,65)(H,58,66)(H,59,67)(H,60,68)(H,61,70)(H,71,72)(H,73,74)/b22-17+,32-27+/t33-,34-,35-,40-,41+,42+,43-,44-,45-,47+/m0/s1
+CH$LINK: PUBCHEM CID:139594199
+CH$LINK: INCHIKEY ANDKUSLFYHFLNO-WVYYMHGOSA-N
+CH$LINK: CHEMSPIDER 90631601
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 35 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 108-1086
+AC$CHROMATOGRAPHY: COLUMN_NAME Acwuity UPLC HSS T3 1.8um, 3x100mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 85/15 at 0 min, 0/100 at 21 min, 0/100 at 25 min, 2/98 at 25.1 min, 2/98 at 31 min, 85/15 at 31.1 min, 85/15 at 33 min
+AC$CHROMATOGRAPHY: FLOW_RATE 300 uL/min at 0 min, 650 uL/min at 25.1 min, 300 uL/min at 31.1 min
+AC$CHROMATOGRAPHY: RETENTION_TIME 13.160 min
+MS$FOCUSED_ION: BASE_PEAK 1044.5616
+MS$FOCUSED_ION: PRECURSOR_M/Z 1044.5652
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-029i-0951000000-d93e945cd68f6866134d
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  117.0694 C9H9+ 1 117.0699 -4.3
+  119.0855 C9H11+ 1 119.0855 0.08
+  124.0756 C7H10NO+ 1 124.0757 -0.91
+  124.1118 C8H14N+ 1 124.1121 -2.02
+  130.0496 C5H8NO3+ 1 130.0499 -2.41
+  131.0854 C10H11+ 1 131.0855 -0.77
+  133.1009 C10H13+ 1 133.1012 -1.76
+  135.0803 C9H11O+ 1 135.0804 -1.05
+  135.1165 C10H15+ 1 135.1168 -2.24
+  136.0755 C8H10NO+ 1 136.0757 -1.38
+  138.0548 C7H8NO2+ 1 138.055 -1.24
+  140.0708 C7H10NO2+ 1 140.0706 1.13
+  143.0854 C11H11+ 1 143.0855 -0.73
+  145.1007 C11H13+ 1 145.1012 -3
+  149.0707 C8H9N2O+ 1 149.0709 -1.92
+  161.0959 C11H13O+ 1 161.0961 -1.24
+  162.1274 C11H16N+ 1 162.1277 -1.94
+  163.1114 C11H15O+ 1 163.1117 -2.28
+  167.0809 C8H11N2O2+ 2 167.0815 -3.36
+  169.1331 C9H17N2O+ 1 169.1335 -2.75
+  171.1166 C13H15+ 1 171.1168 -1.2
+  173.0954 C12H13O+ 2 173.0961 -4.13
+  181.097 C9H13N2O2+ 1 181.0972 -0.88
+  182.0805 C7H10N4O2+ 2 182.0798 3.52
+  185.0915 C8H13N2O3+ 2 185.0921 -2.94
+  187.1113 C13H15O+ 2 187.1117 -2.39
+  188.143 C13H18N+ 1 188.1434 -2.08
+  190.1217 C10H14N4+ 2 190.1213 2.08
+  195.0755 C7H9N5O2+ 2 195.0751 2.19
+  196.0595 C7H8N4O3+ 2 196.0591 2.28
+  197.1276 C8H15N5O+ 2 197.1271 2.56
+  199.1796 C9H21N5+ 2 199.1791 2.09
+  204.1376 C11H16N4+ 2 204.1369 3.09
+  213.0858 C7H11N5O3+ 1 213.0856 0.82
+  218.1528 C12H18N4+ 1 218.1526 0.98
+  219.1115 C10H13N5O+ 1 219.1115 0.31
+  223.1797 C11H21N5+ 2 223.1791 2.32
+  226.1579 CH26N2O10+ 2 226.1582 -1.09
+  227.1743 C10H21N5O+ 2 227.1741 1.18
+  237.1624 C3H27NO10+ 2 237.1629 -2.23
+  239.0647 C8H9N5O4+ 2 239.0649 -0.91
+  243.1326 C9H17N5O3+ 1 243.1326 0.17
+  246.1476 C13H18N4O+ 2 246.1475 0.19
+  247.1066 C11H13N5O2+ 2 247.1064 0.89
+  248.0899 C11H12N4O3+ 3 248.0904 -1.94
+  251.1016 C10H13N5O3+ 2 251.1013 1.19
+  251.174 C12H21N5O+ 1 251.1741 -0.09
+  258.1838 C15H22N4+ 4 258.1839 -0.56
+  265.1176 C11H15N5O3+ 2 265.1169 2.47
+  265.1572 C17H19N3+ 3 265.1573 -0.53
+  269.1118 C10H15N5O4+ 2 269.1119 -0.23
+  279.1691 C13H21N5O2+ 3 279.169 0.42
+  292.1272 C11H20N2O7+ 2 292.1265 2.23
+  293.112 C12H15N5O4+ 2 293.1119 0.53
+  308.159 C13H20N6O3+ 3 308.1591 -0.51
+  310.2104 C13H30N2O6+ 3 310.2098 1.78
+  317.2203 C2H33N6O11+ 4 317.2202 0.44
+  319.2016 C3H33N3O13+ 4 319.2008 2.64
+  320.1979 C5H30N5O10+ 3 320.1987 -2.45
+  329.1838 C2H29N6O12+ 4 329.1838 -0.08
+  375.1897 C18H25N5O4+ 3 375.1901 -1.06
+  380.2193 C20H26N7O+ 5 380.2193 -0.17
+  439.2538 C18H37N3O9+ 4 439.2524 3.12
+PK$NUM_PEAK: 63
+PK$PEAK: m/z int. rel.int.
+  117.0694 197200.8 38
+  119.0855 89773.1 17
+  124.0756 79312.1 15
+  124.1118 561267.6 108
+  130.0496 170280.9 32
+  131.0854 281573.1 54
+  133.1009 123680.7 23
+  135.0803 5177064 999
+  135.1165 2094469.9 404
+  136.0755 1978402.4 381
+  138.0548 672902.4 129
+  140.0708 63396.3 12
+  143.0854 308625 59
+  145.1007 153853.2 29
+  149.0707 74224.3 14
+  161.0959 328305.6 63
+  162.1274 115305.1 22
+  163.1114 3282101 633
+  167.0809 376758.7 72
+  169.1331 4349533 839
+  171.1166 74611.2 14
+  173.0954 176709.4 34
+  181.097 356596.1 68
+  182.0805 60908.5 11
+  185.0915 56845.6 10
+  187.1113 123335.7 23
+  188.143 112994.8 21
+  190.1217 105620.7 20
+  195.0755 719694.6 138
+  196.0595 83983.4 16
+  197.1276 3787715.2 730
+  199.1796 649557.7 125
+  204.1376 116590.2 22
+  213.0858 4764627 919
+  218.1528 561507.6 108
+  219.1115 196373 37
+  223.1797 104554.7 20
+  226.1579 469373.6 90
+  227.1743 265534.5 51
+  237.1624 931198.8 179
+  239.0647 365845.8 70
+  243.1326 632125.8 121
+  246.1476 1042512.3 201
+  247.1066 437132.3 84
+  248.0899 66009.8 12
+  251.1016 113790.6 21
+  251.174 267454.7 51
+  258.1838 634478 122
+  265.1176 3537190.8 682
+  265.1572 638317.2 123
+  269.1118 174480.2 33
+  279.1691 293966 56
+  292.1272 148963.1 28
+  293.112 1649010.9 318
+  308.159 88426.1 17
+  310.2104 611751.1 118
+  317.2203 143839.1 27
+  319.2016 98922.5 19
+  320.1979 169092.3 32
+  329.1838 333012.4 64
+  375.1897 3559783 686
+  380.2193 63200.6 12
+  439.2538 861027.2 166
+//
diff --git a/Eawag/MSBNK-EAWAG-ED197206.txt b/Eawag/MSBNK-EAWAG-ED197206.txt
new file mode 100644
index 0000000000..ad5d35752e
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED197206.txt
@@ -0,0 +1,177 @@
+ACCESSION: MSBNK-EAWAG-ED197206
+RECORD_TITLE: [Leu1]MC-LY; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], K. Thomas [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1972
+CH$NAME: [Leu1]MC-LY
+CH$NAME: [D-Leu1]MC-LY
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[(4-hydroxyphenyl)methyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,12,19-trimethyl-2-methylidene-5,8-bis(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C55H77N7O13
+CH$EXACT_MASS: 1043.557936
+CH$SMILES: O=C(N(C)C(C(N[C@@H](C1=O)CC(C)C)=O)=C)CC[C@H](C(O)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CC3=CC=C(O)C=C3)NC([C@@H](C)[C@H](C(O)=O)NC([C@@H](N1)CC(C)C)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C55H77N7O13/c1-30(2)25-42-51(68)60-43(26-31(3)4)53(70)61-47(55(73)74)35(8)49(66)58-44(28-38-18-20-39(63)21-19-38)52(69)56-40(22-17-32(5)27-33(6)45(75-11)29-37-15-13-12-14-16-37)34(7)48(65)57-41(54(71)72)23-24-46(64)62(10)36(9)50(67)59-42/h12-22,27,30-31,33-35,40-45,47,63H,9,23-26,28-29H2,1-8,10-11H3,(H,56,69)(H,57,65)(H,58,66)(H,59,67)(H,60,68)(H,61,70)(H,71,72)(H,73,74)/b22-17+,32-27+/t33-,34-,35-,40-,41+,42+,43-,44-,45-,47+/m0/s1
+CH$LINK: PUBCHEM CID:139594199
+CH$LINK: INCHIKEY ANDKUSLFYHFLNO-WVYYMHGOSA-N
+CH$LINK: CHEMSPIDER 90631601
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 108-1086
+AC$CHROMATOGRAPHY: COLUMN_NAME Acwuity UPLC HSS T3 1.8um, 3x100mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 85/15 at 0 min, 0/100 at 21 min, 0/100 at 25 min, 2/98 at 25.1 min, 2/98 at 31 min, 85/15 at 31.1 min, 85/15 at 33 min
+AC$CHROMATOGRAPHY: FLOW_RATE 300 uL/min at 0 min, 650 uL/min at 25.1 min, 300 uL/min at 31.1 min
+AC$CHROMATOGRAPHY: RETENTION_TIME 13.160 min
+MS$FOCUSED_ION: BASE_PEAK 1044.5616
+MS$FOCUSED_ION: PRECURSOR_M/Z 1044.5652
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-029i-0940000000-caa8ab8b343321e5faf0
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  110.06 C6H8NO+ 1 110.06 -0.39
+  115.0544 C9H7+ 1 115.0542 1.22
+  117.0699 C9H9+ 1 117.0699 -0.19
+  119.0855 C9H11+ 1 119.0855 -0.3
+  121.1008 C9H13+ 1 121.1012 -3.5
+  124.1118 C8H14N+ 1 124.1121 -2.39
+  129.0695 C10H9+ 1 129.0699 -2.91
+  130.0498 C5H8NO3+ 1 130.0499 -0.65
+  131.0856 C10H11+ 1 131.0855 0.4
+  133.101 C10H13+ 1 133.1012 -1.18
+  135.0803 C9H11O+ 1 135.0804 -1.16
+  135.1165 C10H15+ 1 135.1168 -2.13
+  136.0755 C8H10NO+ 1 136.0757 -1.38
+  138.0547 C7H8NO2+ 1 138.055 -2.01
+  140.0704 C7H10NO2+ 1 140.0706 -1.16
+  141.1386 C8H17N2+ 1 141.1386 -0.07
+  143.085 C11H11+ 1 143.0855 -3.92
+  145.1012 C11H13+ 1 145.1012 0.36
+  149.0706 C8H9N2O+ 1 149.0709 -2.33
+  152.1067 C9H14NO+ 1 152.107 -1.84
+  159.1165 C12H15+ 1 159.1168 -2.1
+  161.0957 C11H13O+ 1 161.0961 -2.38
+  163.1114 C11H15O+ 1 163.1117 -2.28
+  167.0814 C8H11N2O2+ 1 167.0815 -0.53
+  168.0651 C8H10NO3+ 1 168.0655 -2.22
+  169.1331 C9H17N2O+ 1 169.1335 -2.84
+  171.0799 C10H9N3+ 2 171.0791 4.74
+  171.1162 C13H15+ 1 171.1168 -3.61
+  181.0977 C9H13N2O2+ 1 181.0972 2.91
+  187.1111 C13H15O+ 2 187.1117 -3.61
+  188.1428 C13H18N+ 1 188.1434 -2.81
+  190.1214 C10H14N4+ 1 190.1213 0.48
+  195.0757 C7H9N5O2+ 2 195.0751 3.13
+  197.1276 C8H15N5O+ 2 197.1271 2.25
+  199.1795 C9H21N5+ 2 199.1791 1.93
+  204.1378 C11H16N4+ 2 204.1369 4.21
+  209.1318 CH23NO10+ 2 209.1316 0.64
+  213.0858 C7H11N5O3+ 1 213.0856 0.75
+  218.1526 C12H18N4+ 1 218.1526 0.14
+  219.1113 C10H13N5O+ 1 219.1115 -0.73
+  223.179 C11H21N5+ 1 223.1791 -0.82
+  226.1577 CH26N2O10+ 1 226.1582 -2.11
+  227.1745 C10H21N5O+ 2 227.1741 1.72
+  228.1371 C13H16N4+ 2 228.1369 0.5
+  237.1625 C3H27NO10+ 2 237.1629 -2.04
+  239.0648 C8H9N5O4+ 1 239.0649 -0.53
+  243.1325 C9H17N5O3+ 2 243.1326 -0.52
+  246.1476 C13H18N4O+ 2 246.1475 0.19
+  247.1064 C11H13N5O2+ 1 247.1064 -0.03
+  247.1463 C2H23N4O9+ 2 247.146 1.58
+  251.1737 C12H21N5O+ 2 251.1741 -1.37
+  258.1838 C15H22N4+ 4 258.1839 -0.2
+  265.1173 C11H15N5O3+ 2 265.1169 1.32
+  274.1427 C14H18N4O2+ 3 274.1424 0.87
+  275.1008 C12H13N5O3+ 2 275.1013 -1.91
+  282.1843 C4H30N2O11+ 4 282.1844 -0.33
+  292.1589 C6H28O12+ 4 292.1575 4.77
+  292.2012 CH32N4O12+ 4 292.2011 0.12
+  293.1116 C12H15N5O4+ 2 293.1119 -0.72
+  301.2266 C4H35N3O11+ 6 301.2266 -0.07
+  310.1405 C14H20N3O5+ 4 310.1397 2.35
+  310.2111 C13H30N2O6+ 4 310.2098 4.14
+  329.1837 C2H29N6O12+ 4 329.1838 -0.17
+  347.1948 C17H25N5O3+ 3 347.1952 -1.19
+  360.1908 C2H30N7O13+ 4 360.1896 3.39
+  378.2009 C17H26N6O4+ 3 378.201 -0.4
+  426.2721 C23H34N6O2+ 4 426.2738 -3.86
+PK$NUM_PEAK: 67
+PK$PEAK: m/z int. rel.int.
+  110.06 105728.4 19
+  115.0544 103313.4 18
+  117.0699 292191.2 52
+  119.0855 94739.3 17
+  121.1008 55759.3 10
+  124.1118 434292.7 78
+  129.0695 73030.2 13
+  130.0498 168625.9 30
+  131.0856 338231.3 61
+  133.101 161893.6 29
+  135.0803 4972315 898
+  135.1165 2704141.8 488
+  136.0755 2587151 467
+  138.0547 783894.9 141
+  140.0704 86840.6 15
+  141.1386 228318.3 41
+  143.085 297604.8 53
+  145.1012 216520.1 39
+  149.0706 92601.5 16
+  152.1067 82238 14
+  159.1165 95322.9 17
+  161.0957 286295.6 51
+  163.1114 2689908 486
+  167.0814 550287.3 99
+  168.0651 63917.4 11
+  169.1331 5525676.5 999
+  171.0799 104462.7 18
+  171.1162 102846.9 18
+  181.0977 266696.4 48
+  187.1111 80016.9 14
+  188.1428 195775.4 35
+  190.1214 134309.9 24
+  195.0757 673543.8 121
+  197.1276 3073089.5 555
+  199.1795 510280.2 92
+  204.1378 167341.9 30
+  209.1318 202832.7 36
+  213.0858 4347890 786
+  218.1526 506875.7 91
+  219.1113 272993.1 49
+  223.179 163870.6 29
+  226.1577 436375 78
+  227.1745 158263.6 28
+  228.1371 59770.1 10
+  237.1625 660565.9 119
+  239.0648 408570.5 73
+  243.1325 544689.6 98
+  246.1476 730976.3 132
+  247.1064 331732.3 59
+  247.1463 78699.5 14
+  251.1737 255742.1 46
+  258.1838 313182.1 56
+  265.1173 2951315.5 533
+  274.1427 101345.2 18
+  275.1008 56720.8 10
+  282.1843 197851 35
+  292.1589 56602.7 10
+  292.2012 75937 13
+  293.1116 782278.8 141
+  301.2266 64563.8 11
+  310.1405 158547 28
+  310.2111 227810.2 41
+  329.1837 228024.6 41
+  347.1948 458125.5 82
+  360.1908 110577.5 19
+  378.2009 167723.4 30
+  426.2721 75248 13
+//
diff --git a/Eawag/MSBNK-EAWAG-ED197207.txt b/Eawag/MSBNK-EAWAG-ED197207.txt
new file mode 100644
index 0000000000..1394852000
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED197207.txt
@@ -0,0 +1,141 @@
+ACCESSION: MSBNK-EAWAG-ED197207
+RECORD_TITLE: [Leu1]MC-LY; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], K. Thomas [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1972
+CH$NAME: [Leu1]MC-LY
+CH$NAME: [D-Leu1]MC-LY
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[(4-hydroxyphenyl)methyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,12,19-trimethyl-2-methylidene-5,8-bis(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C55H77N7O13
+CH$EXACT_MASS: 1043.557936
+CH$SMILES: O=C(N(C)C(C(N[C@@H](C1=O)CC(C)C)=O)=C)CC[C@H](C(O)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CC3=CC=C(O)C=C3)NC([C@@H](C)[C@H](C(O)=O)NC([C@@H](N1)CC(C)C)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C55H77N7O13/c1-30(2)25-42-51(68)60-43(26-31(3)4)53(70)61-47(55(73)74)35(8)49(66)58-44(28-38-18-20-39(63)21-19-38)52(69)56-40(22-17-32(5)27-33(6)45(75-11)29-37-15-13-12-14-16-37)34(7)48(65)57-41(54(71)72)23-24-46(64)62(10)36(9)50(67)59-42/h12-22,27,30-31,33-35,40-45,47,63H,9,23-26,28-29H2,1-8,10-11H3,(H,56,69)(H,57,65)(H,58,66)(H,59,67)(H,60,68)(H,61,70)(H,71,72)(H,73,74)/b22-17+,32-27+/t33-,34-,35-,40-,41+,42+,43-,44-,45-,47+/m0/s1
+CH$LINK: PUBCHEM CID:139594199
+CH$LINK: INCHIKEY ANDKUSLFYHFLNO-WVYYMHGOSA-N
+CH$LINK: CHEMSPIDER 90631601
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 108-1086
+AC$CHROMATOGRAPHY: COLUMN_NAME Acwuity UPLC HSS T3 1.8um, 3x100mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 85/15 at 0 min, 0/100 at 21 min, 0/100 at 25 min, 2/98 at 25.1 min, 2/98 at 31 min, 85/15 at 31.1 min, 85/15 at 33 min
+AC$CHROMATOGRAPHY: FLOW_RATE 300 uL/min at 0 min, 650 uL/min at 25.1 min, 300 uL/min at 31.1 min
+AC$CHROMATOGRAPHY: RETENTION_TIME 13.160 min
+MS$FOCUSED_ION: BASE_PEAK 1044.5616
+MS$FOCUSED_ION: PRECURSOR_M/Z 1044.5652
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-00kr-0910000000-90b9e0729092ac64c60b
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  110.06 C6H8NO+ 1 110.06 -0.67
+  113.0709 C5H9N2O+ 1 113.0709 -0.66
+  115.0541 C9H7+ 1 115.0542 -1.17
+  117.0697 C9H9+ 1 117.0699 -1.1
+  119.0494 C8H7O+ 1 119.0491 2.47
+  119.0853 C9H11+ 1 119.0855 -1.71
+  121.1007 C9H13+ 1 121.1012 -3.75
+  124.0755 C7H10NO+ 1 124.0757 -1.4
+  124.1118 C8H14N+ 1 124.1121 -2.14
+  129.0695 C10H9+ 1 129.0699 -2.55
+  130.0499 C5H8NO3+ 1 130.0499 0.52
+  131.0854 C10H11+ 1 131.0855 -0.77
+  132.0805 C9H10N+ 1 132.0808 -2.15
+  133.1012 C10H13+ 1 133.1012 0.42
+  135.0803 C9H11O+ 1 135.0804 -0.82
+  135.1166 C10H15+ 1 135.1168 -1.67
+  136.0755 C8H10NO+ 1 136.0757 -1.04
+  138.0548 C7H8NO2+ 1 138.055 -1.02
+  141.1386 C8H17N2+ 1 141.1386 -0.4
+  143.0854 C11H11+ 1 143.0855 -0.94
+  145.1009 C11H13+ 1 145.1012 -1.95
+  146.0599 C9H8NO+ 1 146.06 -1.25
+  146.1092 C11H14+ 1 146.109 1.5
+  149.0711 C8H9N2O+ 1 149.0709 0.85
+  152.1067 C9H14NO+ 1 152.107 -1.64
+  159.1162 C12H15+ 1 159.1168 -4.12
+  161.0959 C11H13O+ 1 161.0961 -1.34
+  162.1277 C11H16N+ 1 162.1277 -0.44
+  163.1114 C11H15O+ 1 163.1117 -1.91
+  167.0812 C8H11N2O2+ 1 167.0815 -1.81
+  169.1331 C9H17N2O+ 1 169.1335 -2.57
+  171.1165 C13H15+ 1 171.1168 -2.09
+  173.0958 C12H13O+ 1 173.0961 -1.48
+  187.1112 C13H15O+ 2 187.1117 -2.63
+  188.1429 C13H18N+ 1 188.1434 -2.65
+  195.0756 C7H9N5O2+ 2 195.0751 2.58
+  196.0595 C7H8N4O3+ 2 196.0591 1.97
+  197.1276 C8H15N5O+ 2 197.1271 2.49
+  199.1794 C9H21N5+ 1 199.1791 1.47
+  204.1376 C11H16N4+ 2 204.1369 3.09
+  213.0858 C7H11N5O3+ 1 213.0856 0.96
+  218.1524 C12H18N4+ 1 218.1526 -0.91
+  219.112 C10H13N5O+ 2 219.1115 2.68
+  223.1794 C11H21N5+ 2 223.1791 1.23
+  226.1578 CH26N2O10+ 1 226.1582 -1.9
+  237.1622 C3H27NO10+ 2 237.1629 -3.13
+  239.0651 C8H9N5O4+ 2 239.0649 0.74
+  243.1331 C9H17N5O3+ 2 243.1326 1.99
+  265.1173 C11H15N5O3+ 2 265.1169 1.21
+PK$NUM_PEAK: 49
+PK$PEAK: m/z int. rel.int.
+  110.06 176569.6 22
+  113.0709 188732.2 24
+  115.0541 223204.6 28
+  117.0697 536511.2 69
+  119.0494 211032.7 27
+  119.0853 177409.9 22
+  121.1007 123369.4 15
+  124.0755 189380.1 24
+  124.1118 321158.3 41
+  129.0695 139136.4 17
+  130.0499 177044.3 22
+  131.0854 448012.4 57
+  132.0805 81291.5 10
+  133.1012 220360.3 28
+  135.0803 4762991.5 612
+  135.1166 3387469 435
+  136.0755 3974312 511
+  138.0548 1046400.4 134
+  141.1386 627853.9 80
+  143.0854 317427.9 40
+  145.1009 321736.1 41
+  146.0599 137823.4 17
+  146.1092 83325 10
+  149.0711 231685.8 29
+  152.1067 90543.2 11
+  159.1162 107231.9 13
+  161.0959 322240.8 41
+  162.1277 132464 17
+  163.1114 1680382.1 216
+  167.0812 1185428.9 152
+  169.1331 7762362.5 999
+  171.1165 112111.2 14
+  173.0958 176859.4 22
+  187.1112 101081.2 13
+  188.1429 265699.6 34
+  195.0756 741806.2 95
+  196.0595 198101.8 25
+  197.1276 1450746.9 186
+  199.1794 207837 26
+  204.1376 256330.1 32
+  213.0858 3264484.2 420
+  218.1524 379741.8 48
+  219.112 216664.3 27
+  223.1794 202810 26
+  226.1578 437210.3 56
+  237.1622 322435.1 41
+  239.0651 330585 42
+  243.1331 161876.9 20
+  265.1173 1171490.6 150
+//
diff --git a/Eawag/MSBNK-EAWAG-ED197208.txt b/Eawag/MSBNK-EAWAG-ED197208.txt
new file mode 100644
index 0000000000..e2519b78d9
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED197208.txt
@@ -0,0 +1,147 @@
+ACCESSION: MSBNK-EAWAG-ED197208
+RECORD_TITLE: [Leu1]MC-LY; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], K. Thomas [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1972
+CH$NAME: [Leu1]MC-LY
+CH$NAME: [D-Leu1]MC-LY
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[(4-hydroxyphenyl)methyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,12,19-trimethyl-2-methylidene-5,8-bis(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C55H77N7O13
+CH$EXACT_MASS: 1043.557936
+CH$SMILES: O=C(N(C)C(C(N[C@@H](C1=O)CC(C)C)=O)=C)CC[C@H](C(O)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CC3=CC=C(O)C=C3)NC([C@@H](C)[C@H](C(O)=O)NC([C@@H](N1)CC(C)C)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C55H77N7O13/c1-30(2)25-42-51(68)60-43(26-31(3)4)53(70)61-47(55(73)74)35(8)49(66)58-44(28-38-18-20-39(63)21-19-38)52(69)56-40(22-17-32(5)27-33(6)45(75-11)29-37-15-13-12-14-16-37)34(7)48(65)57-41(54(71)72)23-24-46(64)62(10)36(9)50(67)59-42/h12-22,27,30-31,33-35,40-45,47,63H,9,23-26,28-29H2,1-8,10-11H3,(H,56,69)(H,57,65)(H,58,66)(H,59,67)(H,60,68)(H,61,70)(H,71,72)(H,73,74)/b22-17+,32-27+/t33-,34-,35-,40-,41+,42+,43-,44-,45-,47+/m0/s1
+CH$LINK: PUBCHEM CID:139594199
+CH$LINK: INCHIKEY ANDKUSLFYHFLNO-WVYYMHGOSA-N
+CH$LINK: CHEMSPIDER 90631601
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 108-1086
+AC$CHROMATOGRAPHY: COLUMN_NAME Acwuity UPLC HSS T3 1.8um, 3x100mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 85/15 at 0 min, 0/100 at 21 min, 0/100 at 25 min, 2/98 at 25.1 min, 2/98 at 31 min, 85/15 at 31.1 min, 85/15 at 33 min
+AC$CHROMATOGRAPHY: FLOW_RATE 300 uL/min at 0 min, 650 uL/min at 25.1 min, 300 uL/min at 31.1 min
+AC$CHROMATOGRAPHY: RETENTION_TIME 13.160 min
+MS$FOCUSED_ION: BASE_PEAK 1044.5616
+MS$FOCUSED_ION: PRECURSOR_M/Z 1044.5652
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-00kr-0900000000-517b2ed840d3929ca041
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  110.0598 C6H8NO+ 1 110.06 -1.92
+  113.0232 C5H5O3+ 1 113.0233 -0.9
+  113.0709 C5H9N2O+ 1 113.0709 -0.59
+  115.0542 C9H7+ 1 115.0542 -0.24
+  117.0697 C9H9+ 1 117.0699 -1.43
+  119.0491 C8H7O+ 1 119.0491 -0.67
+  119.085 C9H11+ 1 119.0855 -4.14
+  120.0807 C8H10N+ 1 120.0808 -0.81
+  121.0647 C8H9O+ 1 121.0648 -0.84
+  121.076 C7H9N2+ 1 121.076 -0.11
+  121.1009 C9H13+ 1 121.1012 -2.43
+  122.0598 C7H8NO+ 1 122.06 -2.14
+  122.0965 C8H12N+ 1 122.0964 0.6
+  124.0758 C7H10NO+ 1 124.0757 0.57
+  124.1118 C8H14N+ 1 124.1121 -2.51
+  129.0695 C10H9+ 1 129.0699 -3.26
+  130.0501 C5H8NO3+ 1 130.0499 2.05
+  131.0853 C10H11+ 1 131.0855 -1.7
+  133.101 C10H13+ 1 133.1012 -1.41
+  135.0803 C9H11O+ 1 135.0804 -0.93
+  135.1166 C10H15+ 1 135.1168 -1.67
+  136.0756 C8H10NO+ 1 136.0757 -0.93
+  138.0548 C7H8NO2+ 1 138.055 -1.13
+  141.1386 C8H17N2+ 1 141.1386 -0.4
+  143.0853 C11H11+ 1 143.0855 -1.79
+  145.1011 C11H13+ 1 145.1012 -0.58
+  146.0596 C9H8NO+ 1 146.06 -2.92
+  146.1089 C11H14+ 1 146.109 -0.8
+  149.071 C8H9N2O+ 1 149.0709 0.33
+  152.1069 C9H14NO+ 1 152.107 -0.74
+  159.1167 C12H15+ 1 159.1168 -0.76
+  161.0958 C11H13O+ 1 161.0961 -2.09
+  162.1272 C11H16N+ 1 162.1277 -3.17
+  163.1114 C11H15O+ 1 163.1117 -2
+  167.0811 C8H11N2O2+ 1 167.0815 -2.18
+  168.0652 C8H10NO3+ 1 168.0655 -1.77
+  169.1331 C9H17N2O+ 1 169.1335 -2.57
+  173.0956 C12H13O+ 2 173.0961 -3.07
+  176.107 C11H14NO+ 1 176.107 -0.22
+  188.1428 C13H18N+ 1 188.1434 -3.22
+  195.0756 C7H9N5O2+ 2 195.0751 2.89
+  196.0593 C7H8N4O3+ 1 196.0591 0.96
+  197.1278 C8H15N5O+ 2 197.1271 3.49
+  204.137 C11H16N4+ 1 204.1369 0.48
+  209.1314 CH23NO10+ 1 209.1316 -1.18
+  213.0859 C7H11N5O3+ 1 213.0856 1.25
+  218.152 C12H18N4+ 2 218.1526 -2.52
+  219.112 C10H13N5O+ 2 219.1115 2.4
+  223.1799 C11H21N5+ 3 223.1791 3.55
+  226.1581 CH26N2O10+ 2 226.1582 -0.55
+  239.065 C8H9N5O4+ 1 239.0649 0.3
+  248.0898 C11H12N4O3+ 3 248.0904 -2.49
+PK$NUM_PEAK: 52
+PK$PEAK: m/z int. rel.int.
+  110.0598 230559 40
+  113.0232 120092.6 21
+  113.0709 220264.8 39
+  115.0542 329758.3 58
+  117.0697 682470.2 120
+  119.0491 346939.4 61
+  119.085 187579.2 33
+  120.0807 83587.3 14
+  121.0647 122085.3 21
+  121.076 91927 16
+  121.1009 102721.8 18
+  122.0598 82005.5 14
+  122.0965 83086.1 14
+  124.0758 185258.4 32
+  124.1118 175533.3 31
+  129.0695 167318 29
+  130.0501 167742.3 29
+  131.0853 393930.9 69
+  133.101 213269.8 37
+  135.0803 2672684.8 473
+  135.1166 2373819.2 420
+  136.0756 3463229.8 613
+  138.0548 585568.5 103
+  141.1386 871641 154
+  143.0853 238808 42
+  145.1011 226758 40
+  146.0596 160088.4 28
+  146.1089 74219.5 13
+  149.071 245803.7 43
+  152.1069 73815.3 13
+  159.1167 94811.6 16
+  161.0958 129784.5 22
+  162.1272 112659.4 19
+  163.1114 646022.5 114
+  167.0811 1337055.4 236
+  168.0652 103011.4 18
+  169.1331 5639192 999
+  173.0956 88260.6 15
+  176.107 85613.5 15
+  188.1428 157922.6 27
+  195.0756 587986.5 104
+  196.0593 118758 21
+  197.1278 309471.2 54
+  204.137 196064 34
+  209.1314 68427.7 12
+  213.0859 1410062.2 249
+  218.152 149711.8 26
+  219.112 85678.7 15
+  223.1799 83060 14
+  226.1581 152595.9 27
+  239.065 147585 26
+  248.0898 117182.3 20
+//
diff --git a/Eawag/MSBNK-EAWAG-ED197209.txt b/Eawag/MSBNK-EAWAG-ED197209.txt
new file mode 100644
index 0000000000..8a5333685d
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED197209.txt
@@ -0,0 +1,133 @@
+ACCESSION: MSBNK-EAWAG-ED197209
+RECORD_TITLE: [Leu1]MC-LY; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], K. Thomas [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1972
+CH$NAME: [Leu1]MC-LY
+CH$NAME: [D-Leu1]MC-LY
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[(4-hydroxyphenyl)methyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,12,19-trimethyl-2-methylidene-5,8-bis(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C55H77N7O13
+CH$EXACT_MASS: 1043.557936
+CH$SMILES: O=C(N(C)C(C(N[C@@H](C1=O)CC(C)C)=O)=C)CC[C@H](C(O)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CC3=CC=C(O)C=C3)NC([C@@H](C)[C@H](C(O)=O)NC([C@@H](N1)CC(C)C)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C55H77N7O13/c1-30(2)25-42-51(68)60-43(26-31(3)4)53(70)61-47(55(73)74)35(8)49(66)58-44(28-38-18-20-39(63)21-19-38)52(69)56-40(22-17-32(5)27-33(6)45(75-11)29-37-15-13-12-14-16-37)34(7)48(65)57-41(54(71)72)23-24-46(64)62(10)36(9)50(67)59-42/h12-22,27,30-31,33-35,40-45,47,63H,9,23-26,28-29H2,1-8,10-11H3,(H,56,69)(H,57,65)(H,58,66)(H,59,67)(H,60,68)(H,61,70)(H,71,72)(H,73,74)/b22-17+,32-27+/t33-,34-,35-,40-,41+,42+,43-,44-,45-,47+/m0/s1
+CH$LINK: PUBCHEM CID:139594199
+CH$LINK: INCHIKEY ANDKUSLFYHFLNO-WVYYMHGOSA-N
+CH$LINK: CHEMSPIDER 90631601
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 108-1086
+AC$CHROMATOGRAPHY: COLUMN_NAME Acwuity UPLC HSS T3 1.8um, 3x100mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 85/15 at 0 min, 0/100 at 21 min, 0/100 at 25 min, 2/98 at 25.1 min, 2/98 at 31 min, 85/15 at 31.1 min, 85/15 at 33 min
+AC$CHROMATOGRAPHY: FLOW_RATE 300 uL/min at 0 min, 650 uL/min at 25.1 min, 300 uL/min at 31.1 min
+AC$CHROMATOGRAPHY: RETENTION_TIME 13.160 min
+MS$FOCUSED_ION: BASE_PEAK 1044.5616
+MS$FOCUSED_ION: PRECURSOR_M/Z 1044.5652
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-014r-0900000000-afd408155936ad5a4fff
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  110.0598 C6H8NO+ 1 110.06 -1.78
+  113.0709 C5H9N2O+ 1 113.0709 -0.46
+  115.0541 C9H7+ 1 115.0542 -0.77
+  117.0698 C9H9+ 1 117.0699 -0.97
+  118.0651 C8H8N+ 1 118.0651 -0.64
+  119.0491 C8H7O+ 1 119.0491 -0.29
+  119.0853 C9H11+ 1 119.0855 -1.58
+  120.0808 C8H10N+ 1 120.0808 0.08
+  121.076 C7H9N2+ 1 121.076 0.01
+  121.1008 C9H13+ 1 121.1012 -2.87
+  122.06 C7H8NO+ 1 122.06 -0.08
+  122.0963 C8H12N+ 1 122.0964 -1.4
+  123.0913 C7H11N2+ 1 123.0917 -2.85
+  124.0759 C7H10NO+ 1 124.0757 1.49
+  124.1121 C8H14N+ 1 124.1121 -0.11
+  126.0787 C6H10N2O+ 1 126.0788 -0.13
+  129.0699 C10H9+ 1 129.0699 -0.19
+  130.065 C9H8N+ 1 130.0651 -0.86
+  131.0854 C10H11+ 1 131.0855 -1.23
+  132.0806 C9H10N+ 1 132.0808 -1.22
+  133.1012 C10H13+ 1 133.1012 -0.04
+  135.0803 C9H11O+ 1 135.0804 -0.82
+  135.1166 C10H15+ 1 135.1168 -2.01
+  136.0755 C8H10NO+ 1 136.0757 -1.15
+  138.0548 C7H8NO2+ 1 138.055 -0.8
+  139.0861 C7H11N2O+ 1 139.0866 -3.75
+  141.1385 C8H17N2+ 1 141.1386 -1.05
+  143.0853 C11H11+ 1 143.0855 -1.69
+  145.1006 C11H13+ 1 145.1012 -3.84
+  146.06 C9H8NO+ 1 146.06 0.01
+  146.1092 C11H14+ 1 146.109 1.08
+  149.0709 C8H9N2O+ 1 149.0709 -0.18
+  152.1068 C9H14NO+ 1 152.107 -1.44
+  161.0959 C11H13O+ 1 161.0961 -1.15
+  162.1272 C11H16N+ 1 162.1277 -3.54
+  163.1115 C11H15O+ 1 163.1117 -1.35
+  167.0812 C8H11N2O2+ 1 167.0815 -1.99
+  168.0651 C8H10NO3+ 1 168.0655 -2.58
+  169.1331 C9H17N2O+ 1 169.1335 -2.48
+  174.0905 C9H10N4+ 2 174.09 3.1
+  176.1067 C11H14NO+ 1 176.107 -1.43
+  180.0929 C14H12+ 1 180.0934 -2.47
+  195.0754 C7H9N5O2+ 1 195.0751 1.88
+  197.1279 C8H15N5O+ 2 197.1271 3.88
+  213.0858 C7H11N5O3+ 1 213.0856 0.68
+PK$NUM_PEAK: 45
+PK$PEAK: m/z int. rel.int.
+  110.0598 268528.7 63
+  113.0709 328232.4 77
+  115.0541 432961.4 102
+  117.0698 756472.1 179
+  118.0651 120875.9 28
+  119.0491 613641.9 145
+  119.0853 303731.2 71
+  120.0808 114647.1 27
+  121.076 241321.5 57
+  121.1008 74518.7 17
+  122.06 85180.1 20
+  122.0963 104554.5 24
+  123.0913 77599.2 18
+  124.0759 114160.6 27
+  124.1121 136685.3 32
+  126.0787 217842.9 51
+  129.0699 160474.8 37
+  130.065 110955.6 26
+  131.0854 420140.3 99
+  132.0806 120680.6 28
+  133.1012 192530.2 45
+  135.0803 1791976.5 424
+  135.1166 1377573.1 326
+  136.0755 2996656 709
+  138.0548 384202.1 90
+  139.0861 57915.2 13
+  141.1385 901856.6 213
+  143.0853 159342.2 37
+  145.1006 223465.9 52
+  146.06 193533.1 45
+  146.1092 69964.4 16
+  149.0709 355055 84
+  152.1068 65655.4 15
+  161.0959 62504.1 14
+  162.1272 58098.9 13
+  163.1115 324192.7 76
+  167.0812 1308534.4 309
+  168.0651 68104.2 16
+  169.1331 4220714 999
+  174.0905 69203.5 16
+  176.1067 75822.1 17
+  180.0929 65557.6 15
+  195.0754 361108.2 85
+  197.1279 54598.6 12
+  213.0858 527471.7 124
+//
diff --git a/Eawag/MSBNK-EAWAG-ED197251.txt b/Eawag/MSBNK-EAWAG-ED197251.txt
new file mode 100644
index 0000000000..95fd20d354
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED197251.txt
@@ -0,0 +1,47 @@
+ACCESSION: MSBNK-EAWAG-ED197251
+RECORD_TITLE: [Leu1]MC-LY; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], K. Thomas [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1972
+CH$NAME: [Leu1]MC-LY
+CH$NAME: [D-Leu1]MC-LY
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[(4-hydroxyphenyl)methyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,12,19-trimethyl-2-methylidene-5,8-bis(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C55H77N7O13
+CH$EXACT_MASS: 1043.557936
+CH$SMILES: O=C(N(C)C(C(N[C@@H](C1=O)CC(C)C)=O)=C)CC[C@H](C(O)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CC3=CC=C(O)C=C3)NC([C@@H](C)[C@H](C(O)=O)NC([C@@H](N1)CC(C)C)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C55H77N7O13/c1-30(2)25-42-51(68)60-43(26-31(3)4)53(70)61-47(55(73)74)35(8)49(66)58-44(28-38-18-20-39(63)21-19-38)52(69)56-40(22-17-32(5)27-33(6)45(75-11)29-37-15-13-12-14-16-37)34(7)48(65)57-41(54(71)72)23-24-46(64)62(10)36(9)50(67)59-42/h12-22,27,30-31,33-35,40-45,47,63H,9,23-26,28-29H2,1-8,10-11H3,(H,56,69)(H,57,65)(H,58,66)(H,59,67)(H,60,68)(H,61,70)(H,71,72)(H,73,74)/b22-17+,32-27+/t33-,34-,35-,40-,41+,42+,43-,44-,45-,47+/m0/s1
+CH$LINK: PUBCHEM CID:139594199
+CH$LINK: INCHIKEY ANDKUSLFYHFLNO-WVYYMHGOSA-N
+CH$LINK: CHEMSPIDER 90631601
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 108-1084
+AC$CHROMATOGRAPHY: COLUMN_NAME Acwuity UPLC HSS T3 1.8um, 3x100mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 85/15 at 0 min, 0/100 at 21 min, 0/100 at 25 min, 2/98 at 25.1 min, 2/98 at 31 min, 85/15 at 31.1 min, 85/15 at 33 min
+AC$CHROMATOGRAPHY: FLOW_RATE 300 uL/min at 0 min, 650 uL/min at 25.1 min, 300 uL/min at 31.1 min
+AC$CHROMATOGRAPHY: RETENTION_TIME 13.173 min
+MS$FOCUSED_ION: BASE_PEAK 1042.5505
+MS$FOCUSED_ION: PRECURSOR_M/Z 1042.5507
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0006-9000000000-97699623564c6495dc72
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  1024.5398 C55H74N7O12- 1 1024.5401 -0.3
+  1042.5499 C55H76N7O13- 1 1042.5507 -0.76
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  1024.5398 1831542.5 17
+  1042.5499 101975600 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED197252.txt b/Eawag/MSBNK-EAWAG-ED197252.txt
new file mode 100644
index 0000000000..775e08993f
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED197252.txt
@@ -0,0 +1,47 @@
+ACCESSION: MSBNK-EAWAG-ED197252
+RECORD_TITLE: [Leu1]MC-LY; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], K. Thomas [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1972
+CH$NAME: [Leu1]MC-LY
+CH$NAME: [D-Leu1]MC-LY
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[(4-hydroxyphenyl)methyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,12,19-trimethyl-2-methylidene-5,8-bis(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C55H77N7O13
+CH$EXACT_MASS: 1043.557936
+CH$SMILES: O=C(N(C)C(C(N[C@@H](C1=O)CC(C)C)=O)=C)CC[C@H](C(O)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CC3=CC=C(O)C=C3)NC([C@@H](C)[C@H](C(O)=O)NC([C@@H](N1)CC(C)C)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C55H77N7O13/c1-30(2)25-42-51(68)60-43(26-31(3)4)53(70)61-47(55(73)74)35(8)49(66)58-44(28-38-18-20-39(63)21-19-38)52(69)56-40(22-17-32(5)27-33(6)45(75-11)29-37-15-13-12-14-16-37)34(7)48(65)57-41(54(71)72)23-24-46(64)62(10)36(9)50(67)59-42/h12-22,27,30-31,33-35,40-45,47,63H,9,23-26,28-29H2,1-8,10-11H3,(H,56,69)(H,57,65)(H,58,66)(H,59,67)(H,60,68)(H,61,70)(H,71,72)(H,73,74)/b22-17+,32-27+/t33-,34-,35-,40-,41+,42+,43-,44-,45-,47+/m0/s1
+CH$LINK: PUBCHEM CID:139594199
+CH$LINK: INCHIKEY ANDKUSLFYHFLNO-WVYYMHGOSA-N
+CH$LINK: CHEMSPIDER 90631601
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 108-1084
+AC$CHROMATOGRAPHY: COLUMN_NAME Acwuity UPLC HSS T3 1.8um, 3x100mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 85/15 at 0 min, 0/100 at 21 min, 0/100 at 25 min, 2/98 at 25.1 min, 2/98 at 31 min, 85/15 at 31.1 min, 85/15 at 33 min
+AC$CHROMATOGRAPHY: FLOW_RATE 300 uL/min at 0 min, 650 uL/min at 25.1 min, 300 uL/min at 31.1 min
+AC$CHROMATOGRAPHY: RETENTION_TIME 13.173 min
+MS$FOCUSED_ION: BASE_PEAK 1042.5505
+MS$FOCUSED_ION: PRECURSOR_M/Z 1042.5507
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0006-9000000000-576ff91f0525d2e264ba
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  1024.5397 C55H74N7O12- 1 1024.5401 -0.42
+  1042.5497 C55H76N7O13- 1 1042.5507 -0.88
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  1024.5397 13907032 166
+  1042.5497 83425936 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED197253.txt b/Eawag/MSBNK-EAWAG-ED197253.txt
new file mode 100644
index 0000000000..7b5137d2a3
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED197253.txt
@@ -0,0 +1,55 @@
+ACCESSION: MSBNK-EAWAG-ED197253
+RECORD_TITLE: [Leu1]MC-LY; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], K. Thomas [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1972
+CH$NAME: [Leu1]MC-LY
+CH$NAME: [D-Leu1]MC-LY
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[(4-hydroxyphenyl)methyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,12,19-trimethyl-2-methylidene-5,8-bis(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C55H77N7O13
+CH$EXACT_MASS: 1043.557936
+CH$SMILES: O=C(N(C)C(C(N[C@@H](C1=O)CC(C)C)=O)=C)CC[C@H](C(O)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CC3=CC=C(O)C=C3)NC([C@@H](C)[C@H](C(O)=O)NC([C@@H](N1)CC(C)C)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C55H77N7O13/c1-30(2)25-42-51(68)60-43(26-31(3)4)53(70)61-47(55(73)74)35(8)49(66)58-44(28-38-18-20-39(63)21-19-38)52(69)56-40(22-17-32(5)27-33(6)45(75-11)29-37-15-13-12-14-16-37)34(7)48(65)57-41(54(71)72)23-24-46(64)62(10)36(9)50(67)59-42/h12-22,27,30-31,33-35,40-45,47,63H,9,23-26,28-29H2,1-8,10-11H3,(H,56,69)(H,57,65)(H,58,66)(H,59,67)(H,60,68)(H,61,70)(H,71,72)(H,73,74)/b22-17+,32-27+/t33-,34-,35-,40-,41+,42+,43-,44-,45-,47+/m0/s1
+CH$LINK: PUBCHEM CID:139594199
+CH$LINK: INCHIKEY ANDKUSLFYHFLNO-WVYYMHGOSA-N
+CH$LINK: CHEMSPIDER 90631601
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 108-1084
+AC$CHROMATOGRAPHY: COLUMN_NAME Acwuity UPLC HSS T3 1.8um, 3x100mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 85/15 at 0 min, 0/100 at 21 min, 0/100 at 25 min, 2/98 at 25.1 min, 2/98 at 31 min, 85/15 at 31.1 min, 85/15 at 33 min
+AC$CHROMATOGRAPHY: FLOW_RATE 300 uL/min at 0 min, 650 uL/min at 25.1 min, 300 uL/min at 31.1 min
+AC$CHROMATOGRAPHY: RETENTION_TIME 13.173 min
+MS$FOCUSED_ION: BASE_PEAK 1042.5505
+MS$FOCUSED_ION: PRECURSOR_M/Z 1042.5507
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-00dl-9000000000-0bff657f6e7631d5fe1d
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  128.0351 C5H6NO3- 1 128.0353 -1.64
+  930.5348 C50H72N7O10- 5 930.5346 0.24
+  998.5621 C54H76N7O11- 1 998.5608 1.31
+  1024.5394 C55H74N7O12- 1 1024.5401 -0.66
+  1025.5432 C55H75N7O12- 1 1025.5479 -4.59
+  1042.5495 C55H76N7O13- 1 1042.5507 -1.11
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  128.0351 562525.4 11
+  930.5348 806707.5 17
+  998.5621 971443.9 20
+  1024.5394 46904196 999
+  1025.5432 2187033 46
+  1042.5495 44854332 955
+//
diff --git a/Eawag/MSBNK-EAWAG-ED197254.txt b/Eawag/MSBNK-EAWAG-ED197254.txt
new file mode 100644
index 0000000000..192ddacc93
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED197254.txt
@@ -0,0 +1,65 @@
+ACCESSION: MSBNK-EAWAG-ED197254
+RECORD_TITLE: [Leu1]MC-LY; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], K. Thomas [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1972
+CH$NAME: [Leu1]MC-LY
+CH$NAME: [D-Leu1]MC-LY
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[(4-hydroxyphenyl)methyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,12,19-trimethyl-2-methylidene-5,8-bis(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C55H77N7O13
+CH$EXACT_MASS: 1043.557936
+CH$SMILES: O=C(N(C)C(C(N[C@@H](C1=O)CC(C)C)=O)=C)CC[C@H](C(O)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CC3=CC=C(O)C=C3)NC([C@@H](C)[C@H](C(O)=O)NC([C@@H](N1)CC(C)C)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C55H77N7O13/c1-30(2)25-42-51(68)60-43(26-31(3)4)53(70)61-47(55(73)74)35(8)49(66)58-44(28-38-18-20-39(63)21-19-38)52(69)56-40(22-17-32(5)27-33(6)45(75-11)29-37-15-13-12-14-16-37)34(7)48(65)57-41(54(71)72)23-24-46(64)62(10)36(9)50(67)59-42/h12-22,27,30-31,33-35,40-45,47,63H,9,23-26,28-29H2,1-8,10-11H3,(H,56,69)(H,57,65)(H,58,66)(H,59,67)(H,60,68)(H,61,70)(H,71,72)(H,73,74)/b22-17+,32-27+/t33-,34-,35-,40-,41+,42+,43-,44-,45-,47+/m0/s1
+CH$LINK: PUBCHEM CID:139594199
+CH$LINK: INCHIKEY ANDKUSLFYHFLNO-WVYYMHGOSA-N
+CH$LINK: CHEMSPIDER 90631601
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 108-1084
+AC$CHROMATOGRAPHY: COLUMN_NAME Acwuity UPLC HSS T3 1.8um, 3x100mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 85/15 at 0 min, 0/100 at 21 min, 0/100 at 25 min, 2/98 at 25.1 min, 2/98 at 31 min, 85/15 at 31.1 min, 85/15 at 33 min
+AC$CHROMATOGRAPHY: FLOW_RATE 300 uL/min at 0 min, 650 uL/min at 25.1 min, 300 uL/min at 31.1 min
+AC$CHROMATOGRAPHY: RETENTION_TIME 13.173 min
+MS$FOCUSED_ION: BASE_PEAK 1042.5505
+MS$FOCUSED_ION: PRECURSOR_M/Z 1042.5507
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-00di-9000000000-115bf08575964eee4371
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  128.0351 C5H6NO3- 1 128.0353 -1.4
+  325.2231 CH35N5O13- 5 325.2237 -1.87
+  353.2183 C16H33O8- 4 353.2181 0.48
+  454.2663 C35H34- 5 454.2666 -0.56
+  587.2755 C32H37N5O6- 6 587.2749 1
+  781.3443 C41H47N7O9- 9 781.3441 0.35
+  930.5348 C50H72N7O10- 5 930.5346 0.24
+  980.549 C54H74N7O10- 2 980.5503 -1.29
+  998.5602 C54H76N7O11- 1 998.5608 -0.64
+  1024.5394 C55H74N7O12- 1 1024.5401 -0.66
+  1042.5495 C55H76N7O13- 1 1042.5507 -1.11
+PK$NUM_PEAK: 11
+PK$PEAK: m/z int. rel.int.
+  128.0351 4326464.5 100
+  325.2231 2285643.5 53
+  353.2183 578713.2 13
+  454.2663 543261.5 12
+  587.2755 1110832.1 25
+  781.3443 823250.1 19
+  930.5348 1269026.1 29
+  980.549 500957.5 11
+  998.5602 1339323.9 31
+  1024.5394 42810524 999
+  1042.5495 7001969 163
+//
diff --git a/Eawag/MSBNK-EAWAG-ED197255.txt b/Eawag/MSBNK-EAWAG-ED197255.txt
new file mode 100644
index 0000000000..92c20f4e67
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED197255.txt
@@ -0,0 +1,109 @@
+ACCESSION: MSBNK-EAWAG-ED197255
+RECORD_TITLE: [Leu1]MC-LY; LC-ESI-QFT; MS2; CE: 35%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], K. Thomas [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1972
+CH$NAME: [Leu1]MC-LY
+CH$NAME: [D-Leu1]MC-LY
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[(4-hydroxyphenyl)methyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,12,19-trimethyl-2-methylidene-5,8-bis(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C55H77N7O13
+CH$EXACT_MASS: 1043.557936
+CH$SMILES: O=C(N(C)C(C(N[C@@H](C1=O)CC(C)C)=O)=C)CC[C@H](C(O)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CC3=CC=C(O)C=C3)NC([C@@H](C)[C@H](C(O)=O)NC([C@@H](N1)CC(C)C)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C55H77N7O13/c1-30(2)25-42-51(68)60-43(26-31(3)4)53(70)61-47(55(73)74)35(8)49(66)58-44(28-38-18-20-39(63)21-19-38)52(69)56-40(22-17-32(5)27-33(6)45(75-11)29-37-15-13-12-14-16-37)34(7)48(65)57-41(54(71)72)23-24-46(64)62(10)36(9)50(67)59-42/h12-22,27,30-31,33-35,40-45,47,63H,9,23-26,28-29H2,1-8,10-11H3,(H,56,69)(H,57,65)(H,58,66)(H,59,67)(H,60,68)(H,61,70)(H,71,72)(H,73,74)/b22-17+,32-27+/t33-,34-,35-,40-,41+,42+,43-,44-,45-,47+/m0/s1
+CH$LINK: PUBCHEM CID:139594199
+CH$LINK: INCHIKEY ANDKUSLFYHFLNO-WVYYMHGOSA-N
+CH$LINK: CHEMSPIDER 90631601
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 35 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 108-1084
+AC$CHROMATOGRAPHY: COLUMN_NAME Acwuity UPLC HSS T3 1.8um, 3x100mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 85/15 at 0 min, 0/100 at 21 min, 0/100 at 25 min, 2/98 at 25.1 min, 2/98 at 31 min, 85/15 at 31.1 min, 85/15 at 33 min
+AC$CHROMATOGRAPHY: FLOW_RATE 300 uL/min at 0 min, 650 uL/min at 25.1 min, 300 uL/min at 31.1 min
+AC$CHROMATOGRAPHY: RETENTION_TIME 13.173 min
+MS$FOCUSED_ION: BASE_PEAK 1042.5505
+MS$FOCUSED_ION: PRECURSOR_M/Z 1042.5507
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-00b9-8924000000-d5c5bf54da6affacac02
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  110.0247 C5H4NO2- 1 110.0248 -0.72
+  112.0402 C5H6NO2- 1 112.0404 -1.43
+  119.0501 C8H7O- 1 119.0502 -0.92
+  124.0403 C6H6NO2- 1 124.0404 -1.21
+  127.051 C5H7N2O2- 1 127.0513 -2.1
+  128.0352 C5H6NO3- 1 128.0353 -1.16
+  129.1033 C6H13N2O- 1 129.1033 -0.53
+  139.0874 C7H11N2O- 1 139.0877 -2.07
+  155.0821 C7H11N2O2- 1 155.0826 -3.09
+  162.0556 C9H8NO2- 1 162.0561 -2.84
+  171.1132 C8H15N2O2- 2 171.1139 -4.37
+  184.0605 C6H8N4O3- 1 184.0602 1.67
+  195.1129 C8H13N5O- 1 195.1126 1.68
+  207.149 C10H17N5- 1 207.1489 0.15
+  211.0715 C7H9N5O3- 2 211.0711 2.13
+  212.139 C8H16N6O- 1 212.1391 -0.36
+  222.1238 C9H14N6O- 2 222.1235 1.72
+  223.1073 C9H13N5O2- 1 223.1075 -0.63
+  240.1337 C9H16N6O2- 2 240.134 -1.25
+  240.1699 C10H20N6O- 2 240.1704 -2.17
+  242.1857 C10H22N6O- 2 242.1861 -1.34
+  268.1654 C11H20N6O2- 2 268.1653 0.28
+  273.0868 C12H11N5O3- 2 273.0867 0.19
+  307.2127 C15H31O6- 5 307.2126 0.17
+  325.2232 CH35N5O13- 5 325.2237 -1.5
+  432.2534 C13H40N2O13- 7 432.2536 -0.35
+  454.2667 C35H34- 5 454.2666 0.31
+  644.2964 C34H40N6O7- 9 644.2964 0.04
+  781.3445 C41H47N7O9- 9 781.3441 0.58
+  930.5342 C50H72N7O10- 5 930.5346 -0.49
+  998.5599 C54H76N7O11- 1 998.5608 -0.89
+  1024.5395 C55H74N7O12- 1 1024.5401 -0.54
+  1025.5436 C55H75N7O12- 1 1025.5479 -4.24
+PK$NUM_PEAK: 33
+PK$PEAK: m/z int. rel.int.
+  110.0247 899727.1 66
+  112.0402 160482 11
+  119.0501 281715.9 20
+  124.0403 662651.8 48
+  127.051 207566.7 15
+  128.0352 9969050 736
+  129.1033 335845.7 24
+  139.0874 149686.7 11
+  155.0821 229918.5 16
+  162.0556 391100.1 28
+  171.1132 165531.6 12
+  184.0605 360841.7 26
+  195.1129 742417.9 54
+  207.149 376998.2 27
+  211.0715 314116.9 23
+  212.139 353791.9 26
+  222.1238 150636.5 11
+  223.1073 254813.9 18
+  240.1337 468372 34
+  240.1699 184041.5 13
+  242.1857 1070781.8 79
+  268.1654 532833.2 39
+  273.0868 436144.9 32
+  307.2127 2123617.2 156
+  325.2232 5286169.5 390
+  432.2534 776902.8 57
+  454.2667 729730 53
+  644.2964 418149.2 30
+  781.3445 847425.4 62
+  930.5342 561176.2 41
+  998.5599 681719.7 50
+  1024.5395 13514763 999
+  1025.5436 588722.5 43
+//
diff --git a/Eawag/MSBNK-EAWAG-ED197256.txt b/Eawag/MSBNK-EAWAG-ED197256.txt
new file mode 100644
index 0000000000..5cc67b27b2
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED197256.txt
@@ -0,0 +1,115 @@
+ACCESSION: MSBNK-EAWAG-ED197256
+RECORD_TITLE: [Leu1]MC-LY; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], K. Thomas [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1972
+CH$NAME: [Leu1]MC-LY
+CH$NAME: [D-Leu1]MC-LY
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[(4-hydroxyphenyl)methyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,12,19-trimethyl-2-methylidene-5,8-bis(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C55H77N7O13
+CH$EXACT_MASS: 1043.557936
+CH$SMILES: O=C(N(C)C(C(N[C@@H](C1=O)CC(C)C)=O)=C)CC[C@H](C(O)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CC3=CC=C(O)C=C3)NC([C@@H](C)[C@H](C(O)=O)NC([C@@H](N1)CC(C)C)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C55H77N7O13/c1-30(2)25-42-51(68)60-43(26-31(3)4)53(70)61-47(55(73)74)35(8)49(66)58-44(28-38-18-20-39(63)21-19-38)52(69)56-40(22-17-32(5)27-33(6)45(75-11)29-37-15-13-12-14-16-37)34(7)48(65)57-41(54(71)72)23-24-46(64)62(10)36(9)50(67)59-42/h12-22,27,30-31,33-35,40-45,47,63H,9,23-26,28-29H2,1-8,10-11H3,(H,56,69)(H,57,65)(H,58,66)(H,59,67)(H,60,68)(H,61,70)(H,71,72)(H,73,74)/b22-17+,32-27+/t33-,34-,35-,40-,41+,42+,43-,44-,45-,47+/m0/s1
+CH$LINK: PUBCHEM CID:139594199
+CH$LINK: INCHIKEY ANDKUSLFYHFLNO-WVYYMHGOSA-N
+CH$LINK: CHEMSPIDER 90631601
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 108-1084
+AC$CHROMATOGRAPHY: COLUMN_NAME Acwuity UPLC HSS T3 1.8um, 3x100mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 85/15 at 0 min, 0/100 at 21 min, 0/100 at 25 min, 2/98 at 25.1 min, 2/98 at 31 min, 85/15 at 31.1 min, 85/15 at 33 min
+AC$CHROMATOGRAPHY: FLOW_RATE 300 uL/min at 0 min, 650 uL/min at 25.1 min, 300 uL/min at 31.1 min
+AC$CHROMATOGRAPHY: RETENTION_TIME 13.173 min
+MS$FOCUSED_ION: BASE_PEAK 1042.5505
+MS$FOCUSED_ION: PRECURSOR_M/Z 1042.5507
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-004i-0934000000-cca57d5de7e2caace4fd
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  110.0247 C5H4NO2- 1 110.0248 -0.51
+  112.0404 C5H6NO2- 1 112.0404 -0.41
+  119.05 C8H7O- 1 119.0502 -2.14
+  123.0562 C6H7N2O- 1 123.0564 -1.66
+  124.0402 C6H6NO2- 1 124.0404 -1.39
+  127.0513 C5H7N2O2- 1 127.0513 0.24
+  128.0352 C5H6NO3- 1 128.0353 -1.16
+  129.1032 C6H13N2O- 1 129.1033 -0.89
+  131.0867 C10H11- 1 131.0866 0.34
+  139.0876 C7H11N2O- 1 139.0877 -0.86
+  140.0712 C7H10NO2- 1 140.0717 -3.27
+  155.0821 C7H11N2O2- 1 155.0826 -3.09
+  162.0555 C9H8NO2- 2 162.0561 -3.41
+  167.0818 C8H11N2O2- 2 167.0826 -4.57
+  171.1135 C8H15N2O2- 1 171.1139 -2.59
+  184.0603 C6H8N4O3- 1 184.0602 0.68
+  195.1129 C8H13N5O- 1 195.1126 1.68
+  207.149 C10H17N5- 1 207.1489 0.23
+  211.0712 C7H9N5O3- 1 211.0711 0.47
+  212.1394 C8H16N6O- 1 212.1391 1.15
+  222.1237 C9H14N6O- 1 222.1235 1.03
+  223.1076 C9H13N5O2- 1 223.1075 0.67
+  224.1755 C10H20N6- 1 224.1755 0.15
+  225.1593 C10H19N5O- 1 225.1595 -0.81
+  240.1341 C9H16N6O2- 1 240.134 0.15
+  240.1703 C10H20N6O- 2 240.1704 -0.59
+  242.1858 C10H22N6O- 2 242.1861 -0.97
+  267.1571 C11H19N6O2- 2 267.1575 -1.54
+  268.1655 C11H20N6O2- 2 268.1653 0.5
+  273.0869 C12H11N5O3- 2 273.0867 0.75
+  307.2127 C15H31O6- 5 307.2126 0.27
+  325.2232 CH35N5O13- 5 325.2237 -1.5
+  335.2085 C17H27N4O3- 4 335.2089 -1.18
+  353.2185 C16H33O8- 4 353.2181 1.17
+  587.275 C32H37N5O6- 7 587.2749 0.06
+  1024.5397 C55H74N7O12- 1 1024.5401 -0.42
+PK$NUM_PEAK: 36
+PK$PEAK: m/z int. rel.int.
+  110.0247 1400821.1 148
+  112.0404 314758.1 33
+  119.05 488397.2 51
+  123.0562 304981 32
+  124.0402 1002149.6 106
+  127.0513 253459.9 26
+  128.0352 9403354 999
+  129.1032 1029947.6 109
+  131.0867 212749.4 22
+  139.0876 416261.9 44
+  140.0712 140784.4 14
+  155.0821 411429.4 43
+  162.0555 590793.7 62
+  167.0818 280730.3 29
+  171.1135 217524 23
+  184.0603 249731 26
+  195.1129 1359471.8 144
+  207.149 810730.6 86
+  211.0712 372999 39
+  212.1394 592239.9 62
+  222.1237 156500.4 16
+  223.1076 288490.9 30
+  224.1755 287885.7 30
+  225.1593 182609.1 19
+  240.1341 302051.7 32
+  240.1703 380913.9 40
+  242.1858 1602528.8 170
+  267.1571 208071 22
+  268.1655 556384.6 59
+  273.0869 321045 34
+  307.2127 3447171.8 366
+  325.2232 4484777 476
+  335.2085 222161.3 23
+  353.2185 545309 57
+  587.275 564007.8 59
+  1024.5397 1022353.7 108
+//
diff --git a/Eawag/MSBNK-EAWAG-ED197257.txt b/Eawag/MSBNK-EAWAG-ED197257.txt
new file mode 100644
index 0000000000..854cccdef6
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED197257.txt
@@ -0,0 +1,145 @@
+ACCESSION: MSBNK-EAWAG-ED197257
+RECORD_TITLE: [Leu1]MC-LY; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], K. Thomas [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1972
+CH$NAME: [Leu1]MC-LY
+CH$NAME: [D-Leu1]MC-LY
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[(4-hydroxyphenyl)methyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,12,19-trimethyl-2-methylidene-5,8-bis(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C55H77N7O13
+CH$EXACT_MASS: 1043.557936
+CH$SMILES: O=C(N(C)C(C(N[C@@H](C1=O)CC(C)C)=O)=C)CC[C@H](C(O)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CC3=CC=C(O)C=C3)NC([C@@H](C)[C@H](C(O)=O)NC([C@@H](N1)CC(C)C)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C55H77N7O13/c1-30(2)25-42-51(68)60-43(26-31(3)4)53(70)61-47(55(73)74)35(8)49(66)58-44(28-38-18-20-39(63)21-19-38)52(69)56-40(22-17-32(5)27-33(6)45(75-11)29-37-15-13-12-14-16-37)34(7)48(65)57-41(54(71)72)23-24-46(64)62(10)36(9)50(67)59-42/h12-22,27,30-31,33-35,40-45,47,63H,9,23-26,28-29H2,1-8,10-11H3,(H,56,69)(H,57,65)(H,58,66)(H,59,67)(H,60,68)(H,61,70)(H,71,72)(H,73,74)/b22-17+,32-27+/t33-,34-,35-,40-,41+,42+,43-,44-,45-,47+/m0/s1
+CH$LINK: PUBCHEM CID:139594199
+CH$LINK: INCHIKEY ANDKUSLFYHFLNO-WVYYMHGOSA-N
+CH$LINK: CHEMSPIDER 90631601
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 108-1084
+AC$CHROMATOGRAPHY: COLUMN_NAME Acwuity UPLC HSS T3 1.8um, 3x100mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 85/15 at 0 min, 0/100 at 21 min, 0/100 at 25 min, 2/98 at 25.1 min, 2/98 at 31 min, 85/15 at 31.1 min, 85/15 at 33 min
+AC$CHROMATOGRAPHY: FLOW_RATE 300 uL/min at 0 min, 650 uL/min at 25.1 min, 300 uL/min at 31.1 min
+AC$CHROMATOGRAPHY: RETENTION_TIME 13.173 min
+MS$FOCUSED_ION: BASE_PEAK 1042.5505
+MS$FOCUSED_ION: PRECURSOR_M/Z 1042.5507
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-004i-0931000000-7cde9d1c0ecfac1f646e
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  110.0247 C5H4NO2- 1 110.0248 -0.72
+  111.0561 C5H7N2O- 1 111.0564 -2.66
+  112.0404 C5H6NO2- 1 112.0404 0.2
+  119.0501 C8H7O- 1 119.0502 -1.18
+  123.0324 C6H5NO2- 1 123.0326 -1.49
+  123.0562 C6H7N2O- 1 123.0564 -1.91
+  124.0402 C6H6NO2- 1 124.0404 -1.27
+  125.0355 C5H5N2O2- 1 125.0357 -1.54
+  127.0512 C5H7N2O2- 1 127.0513 -0.54
+  128.0352 C5H6NO3- 1 128.0353 -0.92
+  129.1032 C6H13N2O- 1 129.1033 -1
+  130.0505 C5H8NO3- 1 130.051 -3.24
+  130.0873 C6H12NO2- 1 130.0874 -0.49
+  131.0864 C10H11- 1 131.0866 -1.63
+  134.0611 C8H8NO- 1 134.0611 -0.5
+  138.0429 C6H6N2O2- 1 138.0435 -3.91
+  138.056 C7H8NO2- 1 138.0561 -0.73
+  139.0875 C7H11N2O- 1 139.0877 -1.63
+  140.0713 C7H10NO2- 1 140.0717 -2.84
+  141.0666 C6H9N2O2- 1 141.067 -2.48
+  145.0293 C9H5O2- 1 145.0295 -1.09
+  150.0553 C6H6N4O- 1 150.0547 3.63
+  151.1236 C9H15N2- 1 151.1241 -3.22
+  155.0822 C7H11N2O2- 1 155.0826 -2.31
+  162.0555 C9H8NO2- 1 162.0561 -3.22
+  164.0947 C9H12N2O- 2 164.0955 -4.67
+  165.066 C6H7N5O- 1 165.0656 2.27
+  167.0818 C8H11N2O2- 2 167.0826 -4.75
+  167.1187 C9H15N2O- 1 167.119 -1.7
+  195.1129 C8H13N5O- 1 195.1126 1.68
+  197.1287 C10H17N2O2- 2 197.1296 -4.15
+  197.1652 C9H19N5- 2 197.1646 3.24
+  205.0605 C8H7N5O2- 1 205.0605 -0.12
+  207.1491 C10H17N5- 1 207.1489 0.96
+  211.071 C7H9N5O3- 1 211.0711 -0.4
+  212.1397 C8H16N6O- 2 212.1391 2.59
+  222.1243 C9H14N6O- 2 222.1235 3.99
+  222.1602 C10H18N6- 2 222.1598 1.47
+  224.1025 C8H12N6O2- 2 224.1027 -1.13
+  224.1754 C10H20N6- 1 224.1755 -0.32
+  225.1595 C10H19N5O- 1 225.1595 0.07
+  240.1697 C10H20N6O- 2 240.1704 -3.13
+  242.1859 C10H22N6O- 2 242.1861 -0.84
+  250.1549 C11H18N6O- 2 250.1548 0.48
+  267.1569 C11H19N6O2- 2 267.1575 -2.11
+  268.1656 C11H20N6O2- 2 268.1653 1.07
+  280.1675 C16H24O4- 3 280.168 -1.98
+  280.2029 C15H26N3O2- 4 280.2031 -0.7
+  307.2126 C15H31O6- 5 307.2126 0.07
+  325.223 CH35N5O13- 5 325.2237 -1.97
+  432.2535 C13H40N2O13- 7 432.2536 -0.28
+PK$NUM_PEAK: 51
+PK$PEAK: m/z int. rel.int.
+  110.0247 1716173.6 280
+  111.0561 89089.1 14
+  112.0404 388159.9 63
+  119.0501 765989.4 125
+  123.0324 85278.2 13
+  123.0562 375126.8 61
+  124.0402 1198717.9 195
+  125.0355 84738 13
+  127.0512 340264.9 55
+  128.0352 6116882.5 999
+  129.1032 2197199.2 358
+  130.0505 106200.7 17
+  130.0873 196114.7 32
+  131.0864 314714.9 51
+  134.0611 64070.7 10
+  138.0429 68123.7 11
+  138.056 72727.6 11
+  139.0875 859554.4 140
+  140.0713 141278.9 23
+  141.0666 272411.2 44
+  145.0293 152695.9 24
+  150.0553 274646.3 44
+  151.1236 68613.4 11
+  155.0822 777288.8 126
+  162.0555 603986.9 98
+  164.0947 126161.2 20
+  165.066 92245.8 15
+  167.0818 283781.9 46
+  167.1187 158925.1 25
+  195.1129 1369761 223
+  197.1287 87214.6 14
+  197.1652 161243.8 26
+  205.0605 72554.3 11
+  207.1491 1421980.9 232
+  211.071 156735.5 25
+  212.1397 413528.6 67
+  222.1243 142404.1 23
+  222.1602 670838.4 109
+  224.1025 297796.1 48
+  224.1754 1042803.2 170
+  225.1595 326303.5 53
+  240.1697 411860.8 67
+  242.1859 1446608.2 236
+  250.1549 232606.7 37
+  267.1569 140454.6 22
+  268.1656 388755.2 63
+  280.1675 85906.3 14
+  280.2029 71497.8 11
+  307.2126 2153739.5 351
+  325.223 966224.1 157
+  432.2535 250161 40
+//
diff --git a/Eawag/MSBNK-EAWAG-ED197258.txt b/Eawag/MSBNK-EAWAG-ED197258.txt
new file mode 100644
index 0000000000..0617cdd21b
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED197258.txt
@@ -0,0 +1,111 @@
+ACCESSION: MSBNK-EAWAG-ED197258
+RECORD_TITLE: [Leu1]MC-LY; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], K. Thomas [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1972
+CH$NAME: [Leu1]MC-LY
+CH$NAME: [D-Leu1]MC-LY
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[(4-hydroxyphenyl)methyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,12,19-trimethyl-2-methylidene-5,8-bis(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C55H77N7O13
+CH$EXACT_MASS: 1043.557936
+CH$SMILES: O=C(N(C)C(C(N[C@@H](C1=O)CC(C)C)=O)=C)CC[C@H](C(O)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CC3=CC=C(O)C=C3)NC([C@@H](C)[C@H](C(O)=O)NC([C@@H](N1)CC(C)C)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C55H77N7O13/c1-30(2)25-42-51(68)60-43(26-31(3)4)53(70)61-47(55(73)74)35(8)49(66)58-44(28-38-18-20-39(63)21-19-38)52(69)56-40(22-17-32(5)27-33(6)45(75-11)29-37-15-13-12-14-16-37)34(7)48(65)57-41(54(71)72)23-24-46(64)62(10)36(9)50(67)59-42/h12-22,27,30-31,33-35,40-45,47,63H,9,23-26,28-29H2,1-8,10-11H3,(H,56,69)(H,57,65)(H,58,66)(H,59,67)(H,60,68)(H,61,70)(H,71,72)(H,73,74)/b22-17+,32-27+/t33-,34-,35-,40-,41+,42+,43-,44-,45-,47+/m0/s1
+CH$LINK: PUBCHEM CID:139594199
+CH$LINK: INCHIKEY ANDKUSLFYHFLNO-WVYYMHGOSA-N
+CH$LINK: CHEMSPIDER 90631601
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 108-1084
+AC$CHROMATOGRAPHY: COLUMN_NAME Acwuity UPLC HSS T3 1.8um, 3x100mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 85/15 at 0 min, 0/100 at 21 min, 0/100 at 25 min, 2/98 at 25.1 min, 2/98 at 31 min, 85/15 at 31.1 min, 85/15 at 33 min
+AC$CHROMATOGRAPHY: FLOW_RATE 300 uL/min at 0 min, 650 uL/min at 25.1 min, 300 uL/min at 31.1 min
+AC$CHROMATOGRAPHY: RETENTION_TIME 13.173 min
+MS$FOCUSED_ION: BASE_PEAK 1042.5505
+MS$FOCUSED_ION: PRECURSOR_M/Z 1042.5507
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-004i-0920000000-dbaf12ba15a31c950e79
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  110.0247 C5H4NO2- 1 110.0248 -0.58
+  111.02 C4H3N2O2- 1 111.02 -0.05
+  112.0403 C5H6NO2- 1 112.0404 -0.95
+  112.0767 C6H10NO- 1 112.0768 -0.49
+  119.0501 C8H7O- 1 119.0502 -0.86
+  123.0324 C6H5NO2- 1 123.0326 -1.18
+  123.0563 C6H7N2O- 1 123.0564 -0.79
+  124.0402 C6H6NO2- 1 124.0404 -1.39
+  127.0512 C5H7N2O2- 1 127.0513 -0.42
+  127.0876 C6H11N2O- 1 127.0877 -0.96
+  128.0352 C5H6NO3- 1 128.0353 -0.92
+  129.1032 C6H13N2O- 1 129.1033 -0.89
+  131.0863 C10H11- 1 131.0866 -2.22
+  139.0509 C6H7N2O2- 1 139.0513 -2.88
+  139.0873 C7H11N2O- 1 139.0877 -2.51
+  140.0712 C7H10NO2- 1 140.0717 -3.49
+  145.0294 C9H5O2- 1 145.0295 -0.46
+  149.0354 C7H5N2O2- 1 149.0357 -2
+  149.0716 C8H9N2O- 1 149.072 -2.98
+  150.0553 C6H6N4O- 1 150.0547 3.94
+  162.0553 C9H8NO2- 2 162.0561 -4.44
+  164.0949 C9H12N2O- 2 164.0955 -3.92
+  167.1191 C9H15N2O- 1 167.119 0.4
+  169.1344 C9H17N2O- 1 169.1346 -1.46
+  195.113 C8H13N5O- 2 195.1126 2.15
+  206.0922 C8H10N6O- 1 206.0922 0.26
+  207.1492 C10H17N5- 1 207.1489 1.41
+  222.1599 C10H18N6- 1 222.1598 0.3
+  224.1023 C8H12N6O2- 2 224.1027 -1.94
+  224.1755 C10H20N6- 1 224.1755 -0.19
+  225.1589 C10H19N5O- 2 225.1595 -2.77
+  240.1697 C10H20N6O- 2 240.1704 -3.13
+  242.1857 C10H22N6O- 2 242.1861 -1.34
+  268.1658 C11H20N6O2- 2 268.1653 1.64
+PK$NUM_PEAK: 34
+PK$PEAK: m/z int. rel.int.
+  110.0247 1381023.9 416
+  111.02 90942.1 27
+  112.0403 296198.9 89
+  112.0767 211423.1 63
+  119.0501 740710.6 223
+  123.0324 78380.6 23
+  123.0563 279316.2 84
+  124.0402 915203.4 276
+  127.0512 308595 93
+  127.0876 61961.5 18
+  128.0352 3310087.2 999
+  129.1032 2222319.5 670
+  131.0863 149304.7 45
+  139.0509 47459 14
+  139.0873 678560.1 204
+  140.0712 78358 23
+  145.0294 199947.7 60
+  149.0354 68266.4 20
+  149.0716 45778.2 13
+  150.0553 227150.8 68
+  162.0553 412591.2 124
+  164.0949 285083.7 86
+  167.1191 102624.9 30
+  169.1344 118631.8 35
+  195.113 685032.3 206
+  206.0922 63140.2 19
+  207.1492 825647.2 249
+  222.1599 525009.4 158
+  224.1023 276511.7 83
+  224.1755 1002638.6 302
+  225.1589 193561.9 58
+  240.1697 244608.9 73
+  242.1857 728594.1 219
+  268.1658 101333.7 30
+//
diff --git a/Eawag/MSBNK-EAWAG-ED197259.txt b/Eawag/MSBNK-EAWAG-ED197259.txt
new file mode 100644
index 0000000000..df64d79772
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED197259.txt
@@ -0,0 +1,119 @@
+ACCESSION: MSBNK-EAWAG-ED197259
+RECORD_TITLE: [Leu1]MC-LY; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], K. Thomas [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1972
+CH$NAME: [Leu1]MC-LY
+CH$NAME: [D-Leu1]MC-LY
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[(4-hydroxyphenyl)methyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,12,19-trimethyl-2-methylidene-5,8-bis(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C55H77N7O13
+CH$EXACT_MASS: 1043.557936
+CH$SMILES: O=C(N(C)C(C(N[C@@H](C1=O)CC(C)C)=O)=C)CC[C@H](C(O)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CC3=CC=C(O)C=C3)NC([C@@H](C)[C@H](C(O)=O)NC([C@@H](N1)CC(C)C)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C55H77N7O13/c1-30(2)25-42-51(68)60-43(26-31(3)4)53(70)61-47(55(73)74)35(8)49(66)58-44(28-38-18-20-39(63)21-19-38)52(69)56-40(22-17-32(5)27-33(6)45(75-11)29-37-15-13-12-14-16-37)34(7)48(65)57-41(54(71)72)23-24-46(64)62(10)36(9)50(67)59-42/h12-22,27,30-31,33-35,40-45,47,63H,9,23-26,28-29H2,1-8,10-11H3,(H,56,69)(H,57,65)(H,58,66)(H,59,67)(H,60,68)(H,61,70)(H,71,72)(H,73,74)/b22-17+,32-27+/t33-,34-,35-,40-,41+,42+,43-,44-,45-,47+/m0/s1
+CH$LINK: PUBCHEM CID:139594199
+CH$LINK: INCHIKEY ANDKUSLFYHFLNO-WVYYMHGOSA-N
+CH$LINK: CHEMSPIDER 90631601
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 108-1084
+AC$CHROMATOGRAPHY: COLUMN_NAME Acwuity UPLC HSS T3 1.8um, 3x100mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 85/15 at 0 min, 0/100 at 21 min, 0/100 at 25 min, 2/98 at 25.1 min, 2/98 at 31 min, 85/15 at 31.1 min, 85/15 at 33 min
+AC$CHROMATOGRAPHY: FLOW_RATE 300 uL/min at 0 min, 650 uL/min at 25.1 min, 300 uL/min at 31.1 min
+AC$CHROMATOGRAPHY: RETENTION_TIME 13.173 min
+MS$FOCUSED_ION: BASE_PEAK 1042.5505
+MS$FOCUSED_ION: PRECURSOR_M/Z 1042.5507
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-004i-0910000000-ce8c245808565ca2a686
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  109.017 C5H3NO2- 1 109.0169 0.81
+  109.0407 C5H5N2O- 1 109.0407 -0.43
+  110.0247 C5H4NO2- 1 110.0248 -0.44
+  111.0199 C4H3N2O2- 1 111.02 -1.21
+  111.0564 C5H7N2O- 1 111.0564 0.56
+  112.0404 C5H6NO2- 1 112.0404 -0.07
+  112.0767 C6H10NO- 1 112.0768 -0.62
+  117.0345 C8H5O- 1 117.0346 -0.85
+  119.0501 C8H7O- 1 119.0502 -1.44
+  121.0406 C6H5N2O- 1 121.0407 -1.49
+  123.0325 C6H5NO2- 1 123.0326 -0.5
+  123.056 C6H7N2O- 1 123.0564 -3.02
+  124.0402 C6H6NO2- 1 124.0404 -1.7
+  125.0354 C5H5N2O2- 1 125.0357 -1.73
+  127.0511 C5H7N2O2- 1 127.0513 -1.2
+  128.0352 C5H6NO3- 1 128.0353 -1.04
+  129.1032 C6H13N2O- 1 129.1033 -1
+  130.087 C6H12NO2- 1 130.0874 -2.48
+  138.0434 C6H6N2O2- 1 138.0435 -0.81
+  139.0874 C7H11N2O- 1 139.0877 -1.96
+  145.0291 C9H5O2- 1 145.0295 -2.46
+  150.0551 C6H6N4O- 1 150.0547 2.72
+  151.0875 C8H11N2O- 1 151.0877 -0.94
+  153.1029 C8H13N2O- 1 153.1033 -3.16
+  155.0822 C7H11N2O2- 1 155.0826 -2.8
+  160.04 C9H6NO2- 1 160.0404 -2.34
+  162.0555 C9H8NO2- 2 162.0561 -3.5
+  164.0951 C9H12N2O- 1 164.0955 -2.53
+  167.0822 C8H11N2O2- 1 167.0826 -2.28
+  181.0978 C9H13N2O2- 2 181.0983 -2.55
+  195.1129 C8H13N5O- 1 195.1126 1.53
+  195.149 C9H17N5- 1 195.1489 0.46
+  197.1652 C9H19N5- 2 197.1646 2.93
+  207.1494 C10H17N5- 2 207.1489 2.29
+  222.1596 C10H18N6- 2 222.1598 -1.21
+  223.1441 C10H17N5O- 2 223.1439 1.11
+  224.1025 C8H12N6O2- 1 224.1027 -0.92
+  224.1754 C10H20N6- 1 224.1755 -0.32
+PK$NUM_PEAK: 38
+PK$PEAK: m/z int. rel.int.
+  109.017 116508.8 59
+  109.0407 74235 37
+  110.0247 1215982.4 620
+  111.0199 144093.7 73
+  111.0564 93410.6 47
+  112.0404 249486.3 127
+  112.0767 220520.6 112
+  117.0345 98464.1 50
+  119.0501 818326.4 417
+  121.0406 215305.7 109
+  123.0325 101974.6 52
+  123.056 209926.3 107
+  124.0402 725802.9 370
+  125.0354 54706.4 27
+  127.0511 295446.2 150
+  128.0352 1956211.5 999
+  129.1032 1672822.5 854
+  130.087 119161.2 60
+  138.0434 175874.8 89
+  139.0874 375812.8 191
+  145.0291 189185.4 96
+  150.0551 199541.7 101
+  151.0875 75535.4 38
+  153.1029 56934.5 29
+  155.0822 428145.7 218
+  160.04 40864.9 20
+  162.0555 278741.8 142
+  164.0951 330014.2 168
+  167.0822 124003.6 63
+  181.0978 79648.4 40
+  195.1129 240992.8 123
+  195.149 91870.1 46
+  197.1652 140854 71
+  207.1494 332513.5 169
+  222.1596 227868.2 116
+  223.1441 31463.5 16
+  224.1025 200593.3 102
+  224.1754 735194.1 375
+//
diff --git a/Eawag/MSBNK-EAWAG-ED199701.txt b/Eawag/MSBNK-EAWAG-ED199701.txt
new file mode 100644
index 0000000000..adcf607cd0
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED199701.txt
@@ -0,0 +1,46 @@
+ACCESSION: MSBNK-EAWAG-ED199701
+RECORD_TITLE: [D-Leu1]MC-LR; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], K. Thomas [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: http://dx.doi.org/10.1016/j.toxicon.2013.03.016
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1997
+CH$NAME: [D-Leu1]MC-LR
+CH$NAME: [D-Leu^(1)]-microcystin-LR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,12,19-trimethyl-2-methylidene-5,8-bis(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H80N10O12
+CH$EXACT_MASS: 1036.595718
+CH$SMILES: O=C(N(C)C(C(N[C@@H](C1=O)CC(C)C)=O)=C)CC[C@H](C(O)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CCCNC(N)=N)NC([C@@H](C)[C@H](C(O)=O)NC([C@@H](N1)CC(C)C)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C52H80N10O12/c1-28(2)24-39-48(68)60-40(25-29(3)4)49(69)61-43(51(72)73)33(8)45(65)57-37(18-15-23-55-52(53)54)47(67)56-36(20-19-30(5)26-31(6)41(74-11)27-35-16-13-12-14-17-35)32(7)44(64)58-38(50(70)71)21-22-42(63)62(10)34(9)46(66)59-39/h12-14,16-17,19-20,26,28-29,31-33,36-41,43H,9,15,18,21-25,27H2,1-8,10-11H3,(H,56,67)(H,57,65)(H,58,64)(H,59,66)(H,60,68)(H,61,69)(H,70,71)(H,72,73)(H4,53,54,55)/b20-19+,30-26+/t31-,32-,33-,36-,37-,38+,39+,40-,41-,43+/m0/s1
+CH$LINK: PUBCHEM CID:636790
+CH$LINK: INCHIKEY PYRKYAINAPVHFV-OGPAHFFASA-N
+CH$LINK: CHEMSPIDER 552506
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 107-1079
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 15.620 min
+MS$FOCUSED_ION: BASE_PEAK 519.305
+MS$FOCUSED_ION: PRECURSOR_M/Z 1037.603
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-000i-9000000000-f0352bfa5d6de44b11be
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  1037.6017 C52H81N10O12+ 1 1037.603 -1.29
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  1037.6017 28376954 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED199702.txt b/Eawag/MSBNK-EAWAG-ED199702.txt
new file mode 100644
index 0000000000..9388a7c864
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED199702.txt
@@ -0,0 +1,46 @@
+ACCESSION: MSBNK-EAWAG-ED199702
+RECORD_TITLE: [D-Leu1]MC-LR; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], K. Thomas [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: http://dx.doi.org/10.1016/j.toxicon.2013.03.016
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1997
+CH$NAME: [D-Leu1]MC-LR
+CH$NAME: [D-Leu^(1)]-microcystin-LR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,12,19-trimethyl-2-methylidene-5,8-bis(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H80N10O12
+CH$EXACT_MASS: 1036.595718
+CH$SMILES: O=C(N(C)C(C(N[C@@H](C1=O)CC(C)C)=O)=C)CC[C@H](C(O)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CCCNC(N)=N)NC([C@@H](C)[C@H](C(O)=O)NC([C@@H](N1)CC(C)C)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C52H80N10O12/c1-28(2)24-39-48(68)60-40(25-29(3)4)49(69)61-43(51(72)73)33(8)45(65)57-37(18-15-23-55-52(53)54)47(67)56-36(20-19-30(5)26-31(6)41(74-11)27-35-16-13-12-14-17-35)32(7)44(64)58-38(50(70)71)21-22-42(63)62(10)34(9)46(66)59-39/h12-14,16-17,19-20,26,28-29,31-33,36-41,43H,9,15,18,21-25,27H2,1-8,10-11H3,(H,56,67)(H,57,65)(H,58,64)(H,59,66)(H,60,68)(H,61,69)(H,70,71)(H,72,73)(H4,53,54,55)/b20-19+,30-26+/t31-,32-,33-,36-,37-,38+,39+,40-,41-,43+/m0/s1
+CH$LINK: PUBCHEM CID:636790
+CH$LINK: INCHIKEY PYRKYAINAPVHFV-OGPAHFFASA-N
+CH$LINK: CHEMSPIDER 552506
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 107-1079
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 15.620 min
+MS$FOCUSED_ION: BASE_PEAK 519.305
+MS$FOCUSED_ION: PRECURSOR_M/Z 1037.603
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-000i-9000000000-1fbb6aa8e71f66ac962f
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  1037.6018 C52H81N10O12+ 1 1037.603 -1.18
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  1037.6018 28312254 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED199703.txt b/Eawag/MSBNK-EAWAG-ED199703.txt
new file mode 100644
index 0000000000..8a849fc039
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED199703.txt
@@ -0,0 +1,48 @@
+ACCESSION: MSBNK-EAWAG-ED199703
+RECORD_TITLE: [D-Leu1]MC-LR; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], K. Thomas [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: http://dx.doi.org/10.1016/j.toxicon.2013.03.016
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1997
+CH$NAME: [D-Leu1]MC-LR
+CH$NAME: [D-Leu^(1)]-microcystin-LR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,12,19-trimethyl-2-methylidene-5,8-bis(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H80N10O12
+CH$EXACT_MASS: 1036.595718
+CH$SMILES: O=C(N(C)C(C(N[C@@H](C1=O)CC(C)C)=O)=C)CC[C@H](C(O)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CCCNC(N)=N)NC([C@@H](C)[C@H](C(O)=O)NC([C@@H](N1)CC(C)C)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C52H80N10O12/c1-28(2)24-39-48(68)60-40(25-29(3)4)49(69)61-43(51(72)73)33(8)45(65)57-37(18-15-23-55-52(53)54)47(67)56-36(20-19-30(5)26-31(6)41(74-11)27-35-16-13-12-14-17-35)32(7)44(64)58-38(50(70)71)21-22-42(63)62(10)34(9)46(66)59-39/h12-14,16-17,19-20,26,28-29,31-33,36-41,43H,9,15,18,21-25,27H2,1-8,10-11H3,(H,56,67)(H,57,65)(H,58,64)(H,59,66)(H,60,68)(H,61,69)(H,70,71)(H,72,73)(H4,53,54,55)/b20-19+,30-26+/t31-,32-,33-,36-,37-,38+,39+,40-,41-,43+/m0/s1
+CH$LINK: PUBCHEM CID:636790
+CH$LINK: INCHIKEY PYRKYAINAPVHFV-OGPAHFFASA-N
+CH$LINK: CHEMSPIDER 552506
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 107-1079
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 15.620 min
+MS$FOCUSED_ION: BASE_PEAK 519.305
+MS$FOCUSED_ION: PRECURSOR_M/Z 1037.603
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-000i-9000000000-8f9347c5a808c9466cc4
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  1009.6091 C51H81N10O11+ 1 1009.6081 1.02
+  1037.6017 C52H81N10O12+ 1 1037.603 -1.29
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  1009.6091 274973.5 11
+  1037.6017 24659554 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED199704.txt b/Eawag/MSBNK-EAWAG-ED199704.txt
new file mode 100644
index 0000000000..2ba691aad7
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED199704.txt
@@ -0,0 +1,62 @@
+ACCESSION: MSBNK-EAWAG-ED199704
+RECORD_TITLE: [D-Leu1]MC-LR; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], K. Thomas [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: http://dx.doi.org/10.1016/j.toxicon.2013.03.016
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1997
+CH$NAME: [D-Leu1]MC-LR
+CH$NAME: [D-Leu^(1)]-microcystin-LR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,12,19-trimethyl-2-methylidene-5,8-bis(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H80N10O12
+CH$EXACT_MASS: 1036.595718
+CH$SMILES: O=C(N(C)C(C(N[C@@H](C1=O)CC(C)C)=O)=C)CC[C@H](C(O)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CCCNC(N)=N)NC([C@@H](C)[C@H](C(O)=O)NC([C@@H](N1)CC(C)C)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C52H80N10O12/c1-28(2)24-39-48(68)60-40(25-29(3)4)49(69)61-43(51(72)73)33(8)45(65)57-37(18-15-23-55-52(53)54)47(67)56-36(20-19-30(5)26-31(6)41(74-11)27-35-16-13-12-14-17-35)32(7)44(64)58-38(50(70)71)21-22-42(63)62(10)34(9)46(66)59-39/h12-14,16-17,19-20,26,28-29,31-33,36-41,43H,9,15,18,21-25,27H2,1-8,10-11H3,(H,56,67)(H,57,65)(H,58,64)(H,59,66)(H,60,68)(H,61,69)(H,70,71)(H,72,73)(H4,53,54,55)/b20-19+,30-26+/t31-,32-,33-,36-,37-,38+,39+,40-,41-,43+/m0/s1
+CH$LINK: PUBCHEM CID:636790
+CH$LINK: INCHIKEY PYRKYAINAPVHFV-OGPAHFFASA-N
+CH$LINK: CHEMSPIDER 552506
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 107-1079
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 15.620 min
+MS$FOCUSED_ION: BASE_PEAK 519.305
+MS$FOCUSED_ION: PRECURSOR_M/Z 1037.603
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-000i-9000000000-edd1efdb86510ac6efef
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  135.0805 C9H11O+ 1 135.0804 0.08
+  163.1114 C11H15O+ 1 163.1117 -2.37
+  174.1345 C6H16N5O+ 3 174.1349 -2.72
+  197.1276 C10H17N2O2+ 2 197.1285 -4.13
+  213.0861 C7H11N5O3+ 2 213.0856 2.14
+  285.1664 C11H21N6O3+ 3 285.167 -2.05
+  512.3197 C24H48O11+ 8 512.3191 1.06
+  1009.6078 C51H81N10O11+ 1 1009.6081 -0.25
+  1037.6024 C52H81N10O12+ 1 1037.603 -0.59
+PK$NUM_PEAK: 9
+PK$PEAK: m/z int. rel.int.
+  135.0805 233119.8 19
+  163.1114 146591.7 11
+  174.1345 221728 18
+  197.1276 151784.2 12
+  213.0861 169237.1 13
+  285.1664 168497.9 13
+  512.3197 136376.2 11
+  1009.6078 862862.4 70
+  1037.6024 12225808 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED199705.txt b/Eawag/MSBNK-EAWAG-ED199705.txt
new file mode 100644
index 0000000000..e574a8e204
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED199705.txt
@@ -0,0 +1,100 @@
+ACCESSION: MSBNK-EAWAG-ED199705
+RECORD_TITLE: [D-Leu1]MC-LR; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], K. Thomas [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: http://dx.doi.org/10.1016/j.toxicon.2013.03.016
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1997
+CH$NAME: [D-Leu1]MC-LR
+CH$NAME: [D-Leu^(1)]-microcystin-LR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,12,19-trimethyl-2-methylidene-5,8-bis(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H80N10O12
+CH$EXACT_MASS: 1036.595718
+CH$SMILES: O=C(N(C)C(C(N[C@@H](C1=O)CC(C)C)=O)=C)CC[C@H](C(O)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CCCNC(N)=N)NC([C@@H](C)[C@H](C(O)=O)NC([C@@H](N1)CC(C)C)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C52H80N10O12/c1-28(2)24-39-48(68)60-40(25-29(3)4)49(69)61-43(51(72)73)33(8)45(65)57-37(18-15-23-55-52(53)54)47(67)56-36(20-19-30(5)26-31(6)41(74-11)27-35-16-13-12-14-17-35)32(7)44(64)58-38(50(70)71)21-22-42(63)62(10)34(9)46(66)59-39/h12-14,16-17,19-20,26,28-29,31-33,36-41,43H,9,15,18,21-25,27H2,1-8,10-11H3,(H,56,67)(H,57,65)(H,58,64)(H,59,66)(H,60,68)(H,61,69)(H,70,71)(H,72,73)(H4,53,54,55)/b20-19+,30-26+/t31-,32-,33-,36-,37-,38+,39+,40-,41-,43+/m0/s1
+CH$LINK: PUBCHEM CID:636790
+CH$LINK: INCHIKEY PYRKYAINAPVHFV-OGPAHFFASA-N
+CH$LINK: CHEMSPIDER 552506
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 107-1079
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 15.620 min
+MS$FOCUSED_ION: BASE_PEAK 519.305
+MS$FOCUSED_ION: PRECURSOR_M/Z 1037.603
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-029i-0920000000-a460ddce5449466a40e7
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  112.087 C5H10N3+ 1 112.0869 0.58
+  114.1027 C5H12N3+ 1 114.1026 1
+  115.0867 C5H11N2O+ 1 115.0866 1.2
+  117.0701 C9H9+ 1 117.0699 1.83
+  124.112 C8H14N+ 1 124.1121 -0.45
+  135.0805 C9H11O+ 1 135.0804 0.19
+  135.1166 C10H15+ 1 135.1168 -1.68
+  138.055 C7H8NO2+ 1 138.055 0.13
+  139.0977 C6H11N4+ 1 139.0978 -0.56
+  140.0823 C6H10N3O+ 1 140.0818 3.59
+  143.0856 C11H11+ 1 143.0855 0.22
+  156.1242 C6H14N5+ 1 156.1244 -1.18
+  157.1084 C6H13N4O+ 1 157.1084 -0.19
+  158.0923 C6H12N3O2+ 1 158.0924 -0.67
+  163.1115 C11H15O+ 1 163.1117 -1.43
+  167.0816 C8H11N2O2+ 1 167.0815 0.46
+  169.1332 C9H17N2O+ 1 169.1335 -1.84
+  174.1346 C6H16N5O+ 1 174.1349 -2.11
+  182.103 C7H12N5O+ 3 182.1036 -3.36
+  195.0754 C9H11N2O3+ 2 195.0764 -4.98
+  197.1277 C10H17N2O2+ 2 197.1285 -3.9
+  200.1136 C7H14N5O2+ 3 200.1142 -3.1
+  201.0978 C6H17O7+ 3 201.0969 4.59
+  213.0861 C7H11N5O3+ 2 213.0856 2.21
+  239.0652 C8H9N5O4+ 3 239.0649 1.06
+  246.148 C13H18N4O+ 3 246.1475 1.86
+  285.1667 C11H21N6O3+ 3 285.167 -1.08
+  286.1499 C10H24NO8+ 3 286.1496 0.75
+PK$NUM_PEAK: 28
+PK$PEAK: m/z int. rel.int.
+  112.087 345340.7 236
+  114.1027 36079.4 24
+  115.0867 174294.8 119
+  117.0701 95915.1 65
+  124.112 58872.9 40
+  135.0805 1455698.4 999
+  135.1166 514788.1 353
+  138.055 78614.3 53
+  139.0977 44036.9 30
+  140.0823 64723.9 44
+  143.0856 35489.2 24
+  156.1242 122532 84
+  157.1084 303735.3 208
+  158.0923 64198.2 44
+  163.1115 407339.4 279
+  167.0816 90372 62
+  169.1332 1021479 701
+  174.1346 369163.8 253
+  182.103 30410 20
+  195.0754 137096.4 94
+  197.1277 639546.3 438
+  200.1136 362992.3 249
+  201.0978 83245.1 57
+  213.0861 733842.4 503
+  239.0652 122106.4 83
+  246.148 103938.6 71
+  285.1667 222149.8 152
+  286.1499 149995.4 102
+//
diff --git a/Eawag/MSBNK-EAWAG-ED199706.txt b/Eawag/MSBNK-EAWAG-ED199706.txt
new file mode 100644
index 0000000000..e4a251a616
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED199706.txt
@@ -0,0 +1,104 @@
+ACCESSION: MSBNK-EAWAG-ED199706
+RECORD_TITLE: [D-Leu1]MC-LR; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], K. Thomas [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: http://dx.doi.org/10.1016/j.toxicon.2013.03.016
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1997
+CH$NAME: [D-Leu1]MC-LR
+CH$NAME: [D-Leu^(1)]-microcystin-LR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,12,19-trimethyl-2-methylidene-5,8-bis(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H80N10O12
+CH$EXACT_MASS: 1036.595718
+CH$SMILES: O=C(N(C)C(C(N[C@@H](C1=O)CC(C)C)=O)=C)CC[C@H](C(O)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CCCNC(N)=N)NC([C@@H](C)[C@H](C(O)=O)NC([C@@H](N1)CC(C)C)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C52H80N10O12/c1-28(2)24-39-48(68)60-40(25-29(3)4)49(69)61-43(51(72)73)33(8)45(65)57-37(18-15-23-55-52(53)54)47(67)56-36(20-19-30(5)26-31(6)41(74-11)27-35-16-13-12-14-17-35)32(7)44(64)58-38(50(70)71)21-22-42(63)62(10)34(9)46(66)59-39/h12-14,16-17,19-20,26,28-29,31-33,36-41,43H,9,15,18,21-25,27H2,1-8,10-11H3,(H,56,67)(H,57,65)(H,58,64)(H,59,66)(H,60,68)(H,61,69)(H,70,71)(H,72,73)(H4,53,54,55)/b20-19+,30-26+/t31-,32-,33-,36-,37-,38+,39+,40-,41-,43+/m0/s1
+CH$LINK: PUBCHEM CID:636790
+CH$LINK: INCHIKEY PYRKYAINAPVHFV-OGPAHFFASA-N
+CH$LINK: CHEMSPIDER 552506
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 107-1079
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 15.620 min
+MS$FOCUSED_ION: BASE_PEAK 519.305
+MS$FOCUSED_ION: PRECURSOR_M/Z 1037.603
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-029i-0910000000-6bcb44ec1a3136449cad
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  112.0869 C5H10N3+ 1 112.0869 0.1
+  113.071 C5H9N2O+ 1 113.0709 0.39
+  114.1026 C5H12N3+ 1 114.1026 0.47
+  115.0543 C9H7+ 1 115.0542 0.59
+  115.0866 C5H11N2O+ 1 115.0866 0.01
+  117.0699 C9H9+ 1 117.0699 0.2
+  124.0755 C7H10NO+ 1 124.0757 -1.43
+  130.0501 C5H8NO3+ 1 130.0499 1.8
+  135.0805 C9H11O+ 1 135.0804 0.08
+  135.1166 C10H15+ 1 135.1168 -1.34
+  139.0978 C6H11N4+ 1 139.0978 -0.45
+  140.0819 C6H10N3O+ 1 140.0818 0.76
+  141.0659 C6H9N2O2+ 1 141.0659 0.64
+  141.1385 C8H17N2+ 1 141.1386 -0.89
+  145.1013 C11H13+ 1 145.1012 1.05
+  157.1083 C6H13N4O+ 1 157.1084 -0.39
+  158.0924 C6H12N3O2+ 1 158.0924 0.2
+  163.1114 C11H15O+ 1 163.1117 -1.99
+  167.0812 C8H11N2O2+ 1 167.0815 -1.73
+  169.1332 C9H17N2O+ 1 169.1335 -2.11
+  174.1344 C6H16N5O+ 3 174.1349 -2.81
+  182.103 C7H12N5O+ 3 182.1036 -3.69
+  183.0869 C7H11N4O2+ 3 183.0877 -3.88
+  195.0754 C9H11N2O3+ 2 195.0764 -4.98
+  197.1277 C10H17N2O2+ 2 197.1285 -3.67
+  213.086 C7H11N5O3+ 2 213.0856 1.85
+  218.1532 C12H18N4+ 2 218.1526 2.58
+  226.1175 C8H14N6O2+ 2 226.1173 1.13
+  237.1621 CH25N4O9+ 3 237.1616 2.04
+  239.0651 C8H9N5O4+ 3 239.0649 1
+PK$NUM_PEAK: 30
+PK$PEAK: m/z int. rel.int.
+  112.0869 377371.9 235
+  113.071 93090.8 58
+  114.1026 64903.9 40
+  115.0543 64461.4 40
+  115.0866 232820.7 145
+  117.0699 183363.1 114
+  124.0755 33453.7 20
+  130.0501 43916.2 27
+  135.0805 1599118.4 999
+  135.1166 527502.9 329
+  139.0978 33603.4 20
+  140.0819 134423.8 83
+  141.0659 121667.4 76
+  141.1385 114065.2 71
+  145.1013 31594.8 19
+  157.1083 213504 133
+  158.0924 69921.9 43
+  163.1114 242289.4 151
+  167.0812 161387.5 100
+  169.1332 1426576.2 891
+  174.1344 152695 95
+  182.103 41373.7 25
+  183.0869 72807.7 45
+  195.0754 140403.7 87
+  197.1277 333139.5 208
+  213.086 583528.2 364
+  218.1532 55457.1 34
+  226.1175 129047.4 80
+  237.1621 36821.7 23
+  239.0651 113885.9 71
+//
diff --git a/Eawag/MSBNK-EAWAG-ED199707.txt b/Eawag/MSBNK-EAWAG-ED199707.txt
new file mode 100644
index 0000000000..746b70b677
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED199707.txt
@@ -0,0 +1,104 @@
+ACCESSION: MSBNK-EAWAG-ED199707
+RECORD_TITLE: [D-Leu1]MC-LR; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], K. Thomas [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: http://dx.doi.org/10.1016/j.toxicon.2013.03.016
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1997
+CH$NAME: [D-Leu1]MC-LR
+CH$NAME: [D-Leu^(1)]-microcystin-LR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,12,19-trimethyl-2-methylidene-5,8-bis(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H80N10O12
+CH$EXACT_MASS: 1036.595718
+CH$SMILES: O=C(N(C)C(C(N[C@@H](C1=O)CC(C)C)=O)=C)CC[C@H](C(O)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CCCNC(N)=N)NC([C@@H](C)[C@H](C(O)=O)NC([C@@H](N1)CC(C)C)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C52H80N10O12/c1-28(2)24-39-48(68)60-40(25-29(3)4)49(69)61-43(51(72)73)33(8)45(65)57-37(18-15-23-55-52(53)54)47(67)56-36(20-19-30(5)26-31(6)41(74-11)27-35-16-13-12-14-17-35)32(7)44(64)58-38(50(70)71)21-22-42(63)62(10)34(9)46(66)59-39/h12-14,16-17,19-20,26,28-29,31-33,36-41,43H,9,15,18,21-25,27H2,1-8,10-11H3,(H,56,67)(H,57,65)(H,58,64)(H,59,66)(H,60,68)(H,61,69)(H,70,71)(H,72,73)(H4,53,54,55)/b20-19+,30-26+/t31-,32-,33-,36-,37-,38+,39+,40-,41-,43+/m0/s1
+CH$LINK: PUBCHEM CID:636790
+CH$LINK: INCHIKEY PYRKYAINAPVHFV-OGPAHFFASA-N
+CH$LINK: CHEMSPIDER 552506
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 107-1079
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 15.620 min
+MS$FOCUSED_ION: BASE_PEAK 519.305
+MS$FOCUSED_ION: PRECURSOR_M/Z 1037.603
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-014r-0900000000-b7a061ab6dc4ba6d43e3
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  109.0649 C7H9O+ 1 109.0648 1.03
+  110.06 C6H8NO+ 1 110.06 -0.14
+  112.0868 C5H10N3+ 1 112.0869 -0.71
+  113.0711 C5H9N2O+ 1 113.0709 1.67
+  114.1027 C5H12N3+ 1 114.1026 1
+  115.0541 C9H7+ 1 115.0542 -0.86
+  115.0865 C5H11N2O+ 1 115.0866 -0.85
+  117.0699 C9H9+ 1 117.0699 0.27
+  119.0855 C9H11+ 1 119.0855 0.17
+  120.0572 C8H8O+ 1 120.057 2.18
+  124.1123 C8H14N+ 1 124.1121 1.7
+  130.0976 C5H12N3O+ 1 130.0975 0.66
+  135.0804 C9H11O+ 1 135.0804 -0.04
+  135.1166 C10H15+ 1 135.1168 -1.34
+  140.082 C6H10N3O+ 1 140.0818 0.97
+  141.0657 C6H9N2O2+ 1 141.0659 -0.76
+  141.1386 C8H17N2+ 1 141.1386 0.08
+  143.0856 C11H11+ 1 143.0855 0.32
+  149.0707 C8H9N2O+ 1 149.0709 -1.39
+  153.1022 C8H13N2O+ 1 153.1022 -0.29
+  157.1088 C6H13N4O+ 1 157.1084 2.62
+  163.1113 C11H15O+ 1 163.1117 -2.93
+  167.0812 C8H11N2O2+ 1 167.0815 -2.1
+  169.1332 C9H17N2O+ 1 169.1335 -2.02
+  183.087 C7H11N4O2+ 3 183.0877 -3.47
+  195.0756 C9H11N2O3+ 2 195.0764 -3.96
+  196.0592 C7H8N4O3+ 1 196.0591 0.52
+  197.1275 C10H17N2O2+ 2 197.1285 -4.9
+  200.1136 C7H14N5O2+ 3 200.1142 -2.88
+  213.086 C7H11N5O3+ 2 213.0856 1.85
+PK$NUM_PEAK: 30
+PK$PEAK: m/z int. rel.int.
+  109.0649 23069 17
+  110.06 42976.9 32
+  112.0868 305345.1 232
+  113.0711 86442.4 65
+  114.1027 72403.1 55
+  115.0541 152243.4 115
+  115.0865 199757.6 152
+  117.0699 291870.6 222
+  119.0855 46530.4 35
+  120.0572 23169.8 17
+  124.1123 42648.1 32
+  130.0976 35542.2 27
+  135.0804 1107009.2 843
+  135.1166 379588.7 289
+  140.082 110957.8 84
+  141.0657 188015.3 143
+  141.1386 183135.7 139
+  143.0856 26030.3 19
+  149.0707 55235.9 42
+  153.1022 27062 20
+  157.1088 89677.4 68
+  163.1113 105736.4 80
+  167.0812 206792.4 157
+  169.1332 1311492.5 999
+  183.087 76399.7 58
+  195.0756 104399.5 79
+  196.0592 34364.9 26
+  197.1275 93726.4 71
+  200.1136 92919.9 70
+  213.086 294732.9 224
+//
diff --git a/Eawag/MSBNK-EAWAG-ED199708.txt b/Eawag/MSBNK-EAWAG-ED199708.txt
new file mode 100644
index 0000000000..840f0acedb
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED199708.txt
@@ -0,0 +1,90 @@
+ACCESSION: MSBNK-EAWAG-ED199708
+RECORD_TITLE: [D-Leu1]MC-LR; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], K. Thomas [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: http://dx.doi.org/10.1016/j.toxicon.2013.03.016
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1997
+CH$NAME: [D-Leu1]MC-LR
+CH$NAME: [D-Leu^(1)]-microcystin-LR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,12,19-trimethyl-2-methylidene-5,8-bis(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H80N10O12
+CH$EXACT_MASS: 1036.595718
+CH$SMILES: O=C(N(C)C(C(N[C@@H](C1=O)CC(C)C)=O)=C)CC[C@H](C(O)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CCCNC(N)=N)NC([C@@H](C)[C@H](C(O)=O)NC([C@@H](N1)CC(C)C)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C52H80N10O12/c1-28(2)24-39-48(68)60-40(25-29(3)4)49(69)61-43(51(72)73)33(8)45(65)57-37(18-15-23-55-52(53)54)47(67)56-36(20-19-30(5)26-31(6)41(74-11)27-35-16-13-12-14-17-35)32(7)44(64)58-38(50(70)71)21-22-42(63)62(10)34(9)46(66)59-39/h12-14,16-17,19-20,26,28-29,31-33,36-41,43H,9,15,18,21-25,27H2,1-8,10-11H3,(H,56,67)(H,57,65)(H,58,64)(H,59,66)(H,60,68)(H,61,69)(H,70,71)(H,72,73)(H4,53,54,55)/b20-19+,30-26+/t31-,32-,33-,36-,37-,38+,39+,40-,41-,43+/m0/s1
+CH$LINK: PUBCHEM CID:636790
+CH$LINK: INCHIKEY PYRKYAINAPVHFV-OGPAHFFASA-N
+CH$LINK: CHEMSPIDER 552506
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 107-1079
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 15.620 min
+MS$FOCUSED_ION: BASE_PEAK 519.305
+MS$FOCUSED_ION: PRECURSOR_M/Z 1037.603
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-014i-0900000000-d4e31147c1204dfb413e
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  109.0652 C7H9O+ 1 109.0648 3.76
+  110.0602 C6H8NO+ 1 110.06 1.03
+  112.0869 C5H10N3+ 1 112.0869 -0.44
+  113.0234 C5H5O3+ 1 113.0233 0.62
+  113.071 C5H9N2O+ 1 113.0709 0.72
+  115.0543 C9H7+ 1 115.0542 0.46
+  115.0866 C5H11N2O+ 1 115.0866 0.34
+  117.0699 C9H9+ 1 117.0699 0.4
+  119.0853 C9H11+ 1 119.0855 -1.49
+  120.0808 C8H10N+ 1 120.0808 -0.1
+  126.0787 C6H10N2O+ 1 126.0788 -0.5
+  130.0503 C5H8NO3+ 1 130.0499 2.97
+  130.0978 C5H12N3O+ 1 130.0975 2.77
+  135.0805 C9H11O+ 1 135.0804 0.42
+  135.1166 C10H15+ 1 135.1168 -1.46
+  140.0822 C6H10N3O+ 1 140.0818 2.94
+  141.0658 C6H9N2O2+ 1 141.0659 -0.12
+  141.1385 C8H17N2+ 1 141.1386 -1.22
+  149.0711 C8H9N2O+ 1 149.0709 1.17
+  167.0813 C8H11N2O2+ 1 167.0815 -1.37
+  169.1333 C9H17N2O+ 1 169.1335 -1.57
+  195.0757 C9H11N2O3+ 2 195.0764 -3.73
+  213.0858 C7H11N5O3+ 1 213.0856 0.78
+PK$NUM_PEAK: 23
+PK$PEAK: m/z int. rel.int.
+  109.0652 39917.2 50
+  110.0602 39810 49
+  112.0869 236027.4 296
+  113.0234 40957.9 51
+  113.071 99123.2 124
+  115.0543 194797.7 244
+  115.0866 143165.9 179
+  117.0699 288535.2 362
+  119.0853 45600.4 57
+  120.0808 44691.1 56
+  126.0787 42416.9 53
+  130.0503 38473.5 48
+  130.0978 36122 45
+  135.0805 601488.2 755
+  135.1166 178088.6 223
+  140.0822 63420.2 79
+  141.0658 148081.8 185
+  141.1385 160218.6 201
+  149.0711 69689.3 87
+  167.0813 200721.2 252
+  169.1333 795525.9 999
+  195.0757 72958.2 91
+  213.0858 113286.8 142
+//
diff --git a/Eawag/MSBNK-EAWAG-ED199709.txt b/Eawag/MSBNK-EAWAG-ED199709.txt
new file mode 100644
index 0000000000..639c5dda3f
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED199709.txt
@@ -0,0 +1,76 @@
+ACCESSION: MSBNK-EAWAG-ED199709
+RECORD_TITLE: [D-Leu1]MC-LR; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], K. Thomas [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: http://dx.doi.org/10.1016/j.toxicon.2013.03.016
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1997
+CH$NAME: [D-Leu1]MC-LR
+CH$NAME: [D-Leu^(1)]-microcystin-LR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,12,19-trimethyl-2-methylidene-5,8-bis(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H80N10O12
+CH$EXACT_MASS: 1036.595718
+CH$SMILES: O=C(N(C)C(C(N[C@@H](C1=O)CC(C)C)=O)=C)CC[C@H](C(O)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CCCNC(N)=N)NC([C@@H](C)[C@H](C(O)=O)NC([C@@H](N1)CC(C)C)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C52H80N10O12/c1-28(2)24-39-48(68)60-40(25-29(3)4)49(69)61-43(51(72)73)33(8)45(65)57-37(18-15-23-55-52(53)54)47(67)56-36(20-19-30(5)26-31(6)41(74-11)27-35-16-13-12-14-17-35)32(7)44(64)58-38(50(70)71)21-22-42(63)62(10)34(9)46(66)59-39/h12-14,16-17,19-20,26,28-29,31-33,36-41,43H,9,15,18,21-25,27H2,1-8,10-11H3,(H,56,67)(H,57,65)(H,58,64)(H,59,66)(H,60,68)(H,61,69)(H,70,71)(H,72,73)(H4,53,54,55)/b20-19+,30-26+/t31-,32-,33-,36-,37-,38+,39+,40-,41-,43+/m0/s1
+CH$LINK: PUBCHEM CID:636790
+CH$LINK: INCHIKEY PYRKYAINAPVHFV-OGPAHFFASA-N
+CH$LINK: CHEMSPIDER 552506
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 107-1079
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 15.620 min
+MS$FOCUSED_ION: BASE_PEAK 519.305
+MS$FOCUSED_ION: PRECURSOR_M/Z 1037.603
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-014i-0900000000-b6fc10be0356f3a3ac7c
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  110.0604 C6H8NO+ 1 110.06 2.84
+  112.087 C5H10N3+ 1 112.0869 0.44
+  113.0235 C5H5O3+ 1 113.0233 1.23
+  113.071 C5H9N2O+ 1 113.0709 0.45
+  115.0543 C9H7+ 1 115.0542 0.26
+  115.0866 C5H11N2O+ 1 115.0866 -0.06
+  117.0699 C9H9+ 1 117.0699 0.46
+  119.0858 C9H11+ 1 119.0855 2.48
+  126.079 C6H10N2O+ 1 126.0788 1.74
+  131.086 C10H11+ 1 131.0855 3.24
+  135.0804 C9H11O+ 1 135.0804 -0.49
+  135.1165 C10H15+ 1 135.1168 -2.59
+  141.1386 C8H17N2+ 1 141.1386 0.08
+  149.0708 C8H9N2O+ 1 149.0709 -0.67
+  167.0814 C8H11N2O2+ 1 167.0815 -0.64
+  169.1332 C9H17N2O+ 1 169.1335 -2.11
+PK$NUM_PEAK: 16
+PK$PEAK: m/z int. rel.int.
+  110.0604 38001.6 108
+  112.087 144476.8 412
+  113.0235 43438.6 123
+  113.071 62762.9 178
+  115.0543 221598.9 631
+  115.0866 66833.9 190
+  117.0699 194287.2 554
+  119.0858 30503.4 86
+  126.079 51997.7 148
+  131.086 33018.7 94
+  135.0804 207324.4 591
+  135.1165 71200.6 203
+  141.1386 113488.4 323
+  149.0708 50936.2 145
+  167.0814 142885.5 407
+  169.1332 350298.1 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED199751.txt b/Eawag/MSBNK-EAWAG-ED199751.txt
new file mode 100644
index 0000000000..864b5fae56
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED199751.txt
@@ -0,0 +1,48 @@
+ACCESSION: MSBNK-EAWAG-ED199751
+RECORD_TITLE: [D-Leu1]MC-LR; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], K. Thomas [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: http://dx.doi.org/10.1016/j.toxicon.2013.03.016
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1997
+CH$NAME: [D-Leu1]MC-LR
+CH$NAME: [D-Leu^(1)]-microcystin-LR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,12,19-trimethyl-2-methylidene-5,8-bis(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H80N10O12
+CH$EXACT_MASS: 1036.595718
+CH$SMILES: O=C(N(C)C(C(N[C@@H](C1=O)CC(C)C)=O)=C)CC[C@H](C(O)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CCCNC(N)=N)NC([C@@H](C)[C@H](C(O)=O)NC([C@@H](N1)CC(C)C)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C52H80N10O12/c1-28(2)24-39-48(68)60-40(25-29(3)4)49(69)61-43(51(72)73)33(8)45(65)57-37(18-15-23-55-52(53)54)47(67)56-36(20-19-30(5)26-31(6)41(74-11)27-35-16-13-12-14-17-35)32(7)44(64)58-38(50(70)71)21-22-42(63)62(10)34(9)46(66)59-39/h12-14,16-17,19-20,26,28-29,31-33,36-41,43H,9,15,18,21-25,27H2,1-8,10-11H3,(H,56,67)(H,57,65)(H,58,64)(H,59,66)(H,60,68)(H,61,69)(H,70,71)(H,72,73)(H4,53,54,55)/b20-19+,30-26+/t31-,32-,33-,36-,37-,38+,39+,40-,41-,43+/m0/s1
+CH$LINK: PUBCHEM CID:636790
+CH$LINK: INCHIKEY PYRKYAINAPVHFV-OGPAHFFASA-N
+CH$LINK: CHEMSPIDER 552506
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 107-1077
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 15.607 min
+MS$FOCUSED_ION: BASE_PEAK 1035.5884
+MS$FOCUSED_ION: PRECURSOR_M/Z 1035.5884
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-000i-9000000000-6f31f58f532e232b013e
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  1017.577 C52H77N10O11- 1 1017.5779 -0.9
+  1035.5886 C52H79N10O12- 1 1035.5884 0.16
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  1017.577 260174 13
+  1035.5886 19920618 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED199752.txt b/Eawag/MSBNK-EAWAG-ED199752.txt
new file mode 100644
index 0000000000..05453af76f
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED199752.txt
@@ -0,0 +1,48 @@
+ACCESSION: MSBNK-EAWAG-ED199752
+RECORD_TITLE: [D-Leu1]MC-LR; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], K. Thomas [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: http://dx.doi.org/10.1016/j.toxicon.2013.03.016
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1997
+CH$NAME: [D-Leu1]MC-LR
+CH$NAME: [D-Leu^(1)]-microcystin-LR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,12,19-trimethyl-2-methylidene-5,8-bis(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H80N10O12
+CH$EXACT_MASS: 1036.595718
+CH$SMILES: O=C(N(C)C(C(N[C@@H](C1=O)CC(C)C)=O)=C)CC[C@H](C(O)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CCCNC(N)=N)NC([C@@H](C)[C@H](C(O)=O)NC([C@@H](N1)CC(C)C)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C52H80N10O12/c1-28(2)24-39-48(68)60-40(25-29(3)4)49(69)61-43(51(72)73)33(8)45(65)57-37(18-15-23-55-52(53)54)47(67)56-36(20-19-30(5)26-31(6)41(74-11)27-35-16-13-12-14-17-35)32(7)44(64)58-38(50(70)71)21-22-42(63)62(10)34(9)46(66)59-39/h12-14,16-17,19-20,26,28-29,31-33,36-41,43H,9,15,18,21-25,27H2,1-8,10-11H3,(H,56,67)(H,57,65)(H,58,64)(H,59,66)(H,60,68)(H,61,69)(H,70,71)(H,72,73)(H4,53,54,55)/b20-19+,30-26+/t31-,32-,33-,36-,37-,38+,39+,40-,41-,43+/m0/s1
+CH$LINK: PUBCHEM CID:636790
+CH$LINK: INCHIKEY PYRKYAINAPVHFV-OGPAHFFASA-N
+CH$LINK: CHEMSPIDER 552506
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 107-1077
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 15.607 min
+MS$FOCUSED_ION: BASE_PEAK 1035.5884
+MS$FOCUSED_ION: PRECURSOR_M/Z 1035.5884
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-000i-9000000000-83bae58fa444c9cc662c
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  1017.5766 C52H77N10O11- 1 1017.5779 -1.26
+  1035.5881 C52H79N10O12- 1 1035.5884 -0.31
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  1017.5766 2037570.8 121
+  1035.5881 16752627 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED199753.txt b/Eawag/MSBNK-EAWAG-ED199753.txt
new file mode 100644
index 0000000000..c77cdfa443
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED199753.txt
@@ -0,0 +1,50 @@
+ACCESSION: MSBNK-EAWAG-ED199753
+RECORD_TITLE: [D-Leu1]MC-LR; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], K. Thomas [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: http://dx.doi.org/10.1016/j.toxicon.2013.03.016
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1997
+CH$NAME: [D-Leu1]MC-LR
+CH$NAME: [D-Leu^(1)]-microcystin-LR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,12,19-trimethyl-2-methylidene-5,8-bis(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H80N10O12
+CH$EXACT_MASS: 1036.595718
+CH$SMILES: O=C(N(C)C(C(N[C@@H](C1=O)CC(C)C)=O)=C)CC[C@H](C(O)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CCCNC(N)=N)NC([C@@H](C)[C@H](C(O)=O)NC([C@@H](N1)CC(C)C)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C52H80N10O12/c1-28(2)24-39-48(68)60-40(25-29(3)4)49(69)61-43(51(72)73)33(8)45(65)57-37(18-15-23-55-52(53)54)47(67)56-36(20-19-30(5)26-31(6)41(74-11)27-35-16-13-12-14-17-35)32(7)44(64)58-38(50(70)71)21-22-42(63)62(10)34(9)46(66)59-39/h12-14,16-17,19-20,26,28-29,31-33,36-41,43H,9,15,18,21-25,27H2,1-8,10-11H3,(H,56,67)(H,57,65)(H,58,64)(H,59,66)(H,60,68)(H,61,69)(H,70,71)(H,72,73)(H4,53,54,55)/b20-19+,30-26+/t31-,32-,33-,36-,37-,38+,39+,40-,41-,43+/m0/s1
+CH$LINK: PUBCHEM CID:636790
+CH$LINK: INCHIKEY PYRKYAINAPVHFV-OGPAHFFASA-N
+CH$LINK: CHEMSPIDER 552506
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 107-1077
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 15.607 min
+MS$FOCUSED_ION: BASE_PEAK 1035.5884
+MS$FOCUSED_ION: PRECURSOR_M/Z 1035.5884
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00kr-9000000000-b4b31cbab335f1b787b4
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  1000.549 C52H74N9O11- 1 1000.5513 -2.37
+  1017.5771 C52H77N10O11- 1 1017.5779 -0.78
+  1035.5882 C52H79N10O12- 1 1035.5884 -0.19
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  1000.549 110107.5 10
+  1017.5771 7838020.5 779
+  1035.5882 10040895 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED199754.txt b/Eawag/MSBNK-EAWAG-ED199754.txt
new file mode 100644
index 0000000000..5e36ec4632
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED199754.txt
@@ -0,0 +1,58 @@
+ACCESSION: MSBNK-EAWAG-ED199754
+RECORD_TITLE: [D-Leu1]MC-LR; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], K. Thomas [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: http://dx.doi.org/10.1016/j.toxicon.2013.03.016
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1997
+CH$NAME: [D-Leu1]MC-LR
+CH$NAME: [D-Leu^(1)]-microcystin-LR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,12,19-trimethyl-2-methylidene-5,8-bis(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H80N10O12
+CH$EXACT_MASS: 1036.595718
+CH$SMILES: O=C(N(C)C(C(N[C@@H](C1=O)CC(C)C)=O)=C)CC[C@H](C(O)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CCCNC(N)=N)NC([C@@H](C)[C@H](C(O)=O)NC([C@@H](N1)CC(C)C)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C52H80N10O12/c1-28(2)24-39-48(68)60-40(25-29(3)4)49(69)61-43(51(72)73)33(8)45(65)57-37(18-15-23-55-52(53)54)47(67)56-36(20-19-30(5)26-31(6)41(74-11)27-35-16-13-12-14-17-35)32(7)44(64)58-38(50(70)71)21-22-42(63)62(10)34(9)46(66)59-39/h12-14,16-17,19-20,26,28-29,31-33,36-41,43H,9,15,18,21-25,27H2,1-8,10-11H3,(H,56,67)(H,57,65)(H,58,64)(H,59,66)(H,60,68)(H,61,69)(H,70,71)(H,72,73)(H4,53,54,55)/b20-19+,30-26+/t31-,32-,33-,36-,37-,38+,39+,40-,41-,43+/m0/s1
+CH$LINK: PUBCHEM CID:636790
+CH$LINK: INCHIKEY PYRKYAINAPVHFV-OGPAHFFASA-N
+CH$LINK: CHEMSPIDER 552506
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 107-1077
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 15.607 min
+MS$FOCUSED_ION: BASE_PEAK 1035.5884
+MS$FOCUSED_ION: PRECURSOR_M/Z 1035.5884
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-014i-9000000000-a6cfb7fc37ef29506aba
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  128.0352 C5H6NO3- 1 128.0353 -1
+  325.2238 C15H33O7- 4 325.2232 1.77
+  923.5716 C47H75N10O9- 4 923.5724 -0.81
+  991.5981 C51H79N10O10- 1 991.5986 -0.55
+  1000.5504 C52H74N9O11- 1 1000.5513 -0.9
+  1017.5767 C52H77N10O11- 1 1017.5779 -1.14
+  1035.5879 C52H79N10O12- 1 1035.5884 -0.54
+PK$NUM_PEAK: 7
+PK$PEAK: m/z int. rel.int.
+  128.0352 618395.1 62
+  325.2238 295477.6 30
+  923.5716 398496 40
+  991.5981 240635.2 24
+  1000.5504 280826.8 28
+  1017.5767 9825938 999
+  1035.5879 2130353.5 216
+//
diff --git a/Eawag/MSBNK-EAWAG-ED199755.txt b/Eawag/MSBNK-EAWAG-ED199755.txt
new file mode 100644
index 0000000000..c21665472e
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED199755.txt
@@ -0,0 +1,90 @@
+ACCESSION: MSBNK-EAWAG-ED199755
+RECORD_TITLE: [D-Leu1]MC-LR; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], K. Thomas [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: http://dx.doi.org/10.1016/j.toxicon.2013.03.016
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1997
+CH$NAME: [D-Leu1]MC-LR
+CH$NAME: [D-Leu^(1)]-microcystin-LR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,12,19-trimethyl-2-methylidene-5,8-bis(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H80N10O12
+CH$EXACT_MASS: 1036.595718
+CH$SMILES: O=C(N(C)C(C(N[C@@H](C1=O)CC(C)C)=O)=C)CC[C@H](C(O)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CCCNC(N)=N)NC([C@@H](C)[C@H](C(O)=O)NC([C@@H](N1)CC(C)C)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C52H80N10O12/c1-28(2)24-39-48(68)60-40(25-29(3)4)49(69)61-43(51(72)73)33(8)45(65)57-37(18-15-23-55-52(53)54)47(67)56-36(20-19-30(5)26-31(6)41(74-11)27-35-16-13-12-14-17-35)32(7)44(64)58-38(50(70)71)21-22-42(63)62(10)34(9)46(66)59-39/h12-14,16-17,19-20,26,28-29,31-33,36-41,43H,9,15,18,21-25,27H2,1-8,10-11H3,(H,56,67)(H,57,65)(H,58,64)(H,59,66)(H,60,68)(H,61,69)(H,70,71)(H,72,73)(H4,53,54,55)/b20-19+,30-26+/t31-,32-,33-,36-,37-,38+,39+,40-,41-,43+/m0/s1
+CH$LINK: PUBCHEM CID:636790
+CH$LINK: INCHIKEY PYRKYAINAPVHFV-OGPAHFFASA-N
+CH$LINK: CHEMSPIDER 552506
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 107-1077
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 15.607 min
+MS$FOCUSED_ION: BASE_PEAK 1035.5884
+MS$FOCUSED_ION: PRECURSOR_M/Z 1035.5884
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-004i-1933000000-276bda2c173146043bce
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  110.0247 C5H4NO2- 1 110.0248 -0.36
+  112.0403 C5H6NO2- 1 112.0404 -1.14
+  123.0562 C6H7N2O- 1 123.0564 -1.35
+  124.0403 C6H6NO2- 1 124.0404 -0.96
+  127.0513 C5H7N2O2- 1 127.0513 -0.02
+  128.0352 C5H6NO3- 1 128.0353 -0.88
+  129.1033 C6H13N2O- 1 129.1033 -0.37
+  131.0864 C10H11- 1 131.0866 -1.45
+  139.0877 C7H11N2O- 1 139.0877 0.27
+  195.1128 C8H13N5O- 1 195.1126 1.48
+  206.092 C8H10N6O- 1 206.0922 -0.67
+  207.1493 C10H17N5- 2 207.1489 1.75
+  211.0712 C7H9N5O3- 1 211.0711 0.62
+  212.1391 C8H16N6O- 1 212.1391 -0.11
+  224.1035 C8H12N6O2- 2 224.1027 3.29
+  224.1756 C10H20N6- 1 224.1755 0.55
+  242.186 C10H22N6O- 1 242.1861 -0.15
+  248.1141 C10H18NO6- 2 248.114 0.39
+  267.1587 C11H19N6O2- 2 267.1575 4.38
+  268.1654 C11H20N6O2- 2 268.1653 0.25
+  325.2236 C15H33O7- 4 325.2232 1.4
+  353.2195 C17H29N4O4- 7 353.2194 0.32
+  1017.5765 C52H77N10O11- 1 1017.5779 -1.38
+PK$NUM_PEAK: 23
+PK$PEAK: m/z int. rel.int.
+  110.0247 102111.3 52
+  112.0403 48325.6 24
+  123.0562 34192.9 17
+  124.0403 146124.2 74
+  127.0513 25756.2 13
+  128.0352 1952349.4 999
+  129.1033 189595.1 97
+  131.0864 38009.2 19
+  139.0877 68946.3 35
+  195.1128 263726.1 134
+  206.092 58291 29
+  207.1493 126187.5 64
+  211.0712 84137.3 43
+  212.1391 126096.8 64
+  224.1035 31677.2 16
+  224.1756 62063.6 31
+  242.186 310292.9 158
+  248.1141 61488.4 31
+  267.1587 36931.3 18
+  268.1654 124128.4 63
+  325.2236 969905 496
+  353.2195 167574.6 85
+  1017.5765 450172.3 230
+//
diff --git a/Eawag/MSBNK-EAWAG-ED199756.txt b/Eawag/MSBNK-EAWAG-ED199756.txt
new file mode 100644
index 0000000000..ee32317629
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED199756.txt
@@ -0,0 +1,108 @@
+ACCESSION: MSBNK-EAWAG-ED199756
+RECORD_TITLE: [D-Leu1]MC-LR; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], K. Thomas [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: http://dx.doi.org/10.1016/j.toxicon.2013.03.016
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1997
+CH$NAME: [D-Leu1]MC-LR
+CH$NAME: [D-Leu^(1)]-microcystin-LR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,12,19-trimethyl-2-methylidene-5,8-bis(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H80N10O12
+CH$EXACT_MASS: 1036.595718
+CH$SMILES: O=C(N(C)C(C(N[C@@H](C1=O)CC(C)C)=O)=C)CC[C@H](C(O)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CCCNC(N)=N)NC([C@@H](C)[C@H](C(O)=O)NC([C@@H](N1)CC(C)C)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C52H80N10O12/c1-28(2)24-39-48(68)60-40(25-29(3)4)49(69)61-43(51(72)73)33(8)45(65)57-37(18-15-23-55-52(53)54)47(67)56-36(20-19-30(5)26-31(6)41(74-11)27-35-16-13-12-14-17-35)32(7)44(64)58-38(50(70)71)21-22-42(63)62(10)34(9)46(66)59-39/h12-14,16-17,19-20,26,28-29,31-33,36-41,43H,9,15,18,21-25,27H2,1-8,10-11H3,(H,56,67)(H,57,65)(H,58,64)(H,59,66)(H,60,68)(H,61,69)(H,70,71)(H,72,73)(H4,53,54,55)/b20-19+,30-26+/t31-,32-,33-,36-,37-,38+,39+,40-,41-,43+/m0/s1
+CH$LINK: PUBCHEM CID:636790
+CH$LINK: INCHIKEY PYRKYAINAPVHFV-OGPAHFFASA-N
+CH$LINK: CHEMSPIDER 552506
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 107-1077
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 15.607 min
+MS$FOCUSED_ION: BASE_PEAK 1035.5884
+MS$FOCUSED_ION: PRECURSOR_M/Z 1035.5884
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-004i-0931000000-89301cd81d13bfd74428
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  110.0247 C5H4NO2- 1 110.0248 -0.5
+  112.0403 C5H6NO2- 1 112.0404 -1.21
+  112.0768 C6H10NO- 1 112.0768 0.28
+  123.0562 C6H7N2O- 1 123.0564 -1.53
+  124.0402 C6H6NO2- 1 124.0404 -1.39
+  127.0515 C5H7N2O2- 1 127.0513 1.42
+  128.0352 C5H6NO3- 1 128.0353 -0.76
+  129.1033 C6H13N2O- 1 129.1033 -0.37
+  130.087 C6H12NO2- 1 130.0874 -2.48
+  131.0866 C10H11- 1 131.0866 0.07
+  139.0875 C7H11N2O- 1 139.0877 -1.16
+  155.0819 C7H11N2O2- 2 155.0826 -4.59
+  165.0663 C6H7N5O- 2 165.0656 4.43
+  167.1183 C9H15N2O- 2 167.119 -3.82
+  168.1141 C8H14N3O- 1 168.1142 -0.92
+  181.0973 C7H11N5O- 1 181.0969 2.22
+  194.1292 C8H14N6- 2 194.1285 3.39
+  195.1129 C8H13N5O- 1 195.1126 1.72
+  197.1653 C9H19N5- 2 197.1646 3.81
+  206.0927 C8H10N6O- 2 206.0922 2.44
+  207.149 C10H17N5- 1 207.1489 0.5
+  211.0714 C7H9N5O3- 1 211.0711 1.27
+  212.1394 C8H16N6O- 1 212.1391 1.33
+  222.1604 C10H18N6- 2 222.1598 2.46
+  224.1023 C8H12N6O2- 3 224.1027 -1.68
+  224.1756 C10H20N6- 1 224.1755 0.62
+  240.171 C10H20N6O- 2 240.1704 2.4
+  242.1861 C10H22N6O- 1 242.1861 -0.02
+  248.1144 C10H18NO6- 3 248.114 1.86
+  250.1547 C11H18N6O- 1 250.1548 -0.24
+  307.2132 CH33N5O12- 5 307.2131 0.17
+  370.2504 C8H34N8O8- 6 370.2505 -0.3
+PK$NUM_PEAK: 32
+PK$PEAK: m/z int. rel.int.
+  110.0247 197414.5 165
+  112.0403 85294.3 71
+  112.0768 18665.5 15
+  123.0562 49829.8 41
+  124.0402 133405.8 111
+  127.0515 42798.6 35
+  128.0352 1193699.5 999
+  129.1033 357575.1 299
+  130.087 41632 34
+  131.0866 58816.4 49
+  139.0875 150183.7 125
+  155.0819 133152 111
+  165.0663 23769 19
+  167.1183 23505 19
+  168.1141 28220.2 23
+  181.0973 84729.9 70
+  194.1292 20121.7 16
+  195.1129 313045.6 261
+  197.1653 22933.9 19
+  206.0927 66755.7 55
+  207.149 264531.8 221
+  211.0714 35145.5 29
+  212.1394 75633.1 63
+  222.1604 129723.1 108
+  224.1023 67771.1 56
+  224.1756 177346.2 148
+  240.171 87399.3 73
+  242.1861 303718.3 254
+  248.1144 38152.1 31
+  250.1547 37743.4 31
+  307.2132 506458.6 423
+  370.2504 33170.5 27
+//
diff --git a/Eawag/MSBNK-EAWAG-ED199757.txt b/Eawag/MSBNK-EAWAG-ED199757.txt
new file mode 100644
index 0000000000..82071c85fa
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED199757.txt
@@ -0,0 +1,114 @@
+ACCESSION: MSBNK-EAWAG-ED199757
+RECORD_TITLE: [D-Leu1]MC-LR; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], K. Thomas [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: http://dx.doi.org/10.1016/j.toxicon.2013.03.016
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1997
+CH$NAME: [D-Leu1]MC-LR
+CH$NAME: [D-Leu^(1)]-microcystin-LR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,12,19-trimethyl-2-methylidene-5,8-bis(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H80N10O12
+CH$EXACT_MASS: 1036.595718
+CH$SMILES: O=C(N(C)C(C(N[C@@H](C1=O)CC(C)C)=O)=C)CC[C@H](C(O)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CCCNC(N)=N)NC([C@@H](C)[C@H](C(O)=O)NC([C@@H](N1)CC(C)C)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C52H80N10O12/c1-28(2)24-39-48(68)60-40(25-29(3)4)49(69)61-43(51(72)73)33(8)45(65)57-37(18-15-23-55-52(53)54)47(67)56-36(20-19-30(5)26-31(6)41(74-11)27-35-16-13-12-14-17-35)32(7)44(64)58-38(50(70)71)21-22-42(63)62(10)34(9)46(66)59-39/h12-14,16-17,19-20,26,28-29,31-33,36-41,43H,9,15,18,21-25,27H2,1-8,10-11H3,(H,56,67)(H,57,65)(H,58,64)(H,59,66)(H,60,68)(H,61,69)(H,70,71)(H,72,73)(H4,53,54,55)/b20-19+,30-26+/t31-,32-,33-,36-,37-,38+,39+,40-,41-,43+/m0/s1
+CH$LINK: PUBCHEM CID:636790
+CH$LINK: INCHIKEY PYRKYAINAPVHFV-OGPAHFFASA-N
+CH$LINK: CHEMSPIDER 552506
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 107-1077
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 15.607 min
+MS$FOCUSED_ION: BASE_PEAK 1035.5884
+MS$FOCUSED_ION: PRECURSOR_M/Z 1035.5884
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-004i-0930000000-0e82a4e96d31b6e127d2
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  109.0405 C5H5N2O- 1 109.0407 -1.89
+  110.0247 C5H4NO2- 1 110.0248 -0.63
+  111.0197 C4H3N2O2- 1 111.02 -2.54
+  112.0403 C5H6NO2- 1 112.0404 -1.21
+  112.0767 C6H10NO- 1 112.0768 -0.87
+  121.0408 C6H5N2O- 1 121.0407 0.48
+  123.056 C6H7N2O- 1 123.0564 -2.84
+  124.0404 C6H6NO2- 1 124.0404 -0.04
+  127.051 C5H7N2O2- 1 127.0513 -2.36
+  128.0352 C5H6NO3- 1 128.0353 -1
+  129.1032 C6H13N2O- 1 129.1033 -0.96
+  130.0871 C6H12NO2- 1 130.0874 -1.78
+  131.0865 C10H11- 1 131.0866 -0.98
+  139.0874 C7H11N2O- 1 139.0877 -2.14
+  151.1237 C9H15N2- 1 151.1241 -2.14
+  155.082 C7H11N2O2- 2 155.0826 -3.8
+  156.0773 C6H10N3O2- 1 156.0779 -3.34
+  164.0951 C9H12N2O- 1 164.0955 -2.23
+  167.0819 C6H9N5O- 2 167.0813 4
+  168.1143 C8H14N3O- 1 168.1142 0.16
+  169.1341 C7H15N5- 2 169.1333 4.69
+  180.1135 C7H12N6- 2 180.1129 3.18
+  181.0974 C7H11N5O- 2 181.0969 2.55
+  195.1128 C8H13N5O- 1 195.1126 1.09
+  195.1493 C9H17N5- 1 195.1489 1.75
+  197.1648 C9H19N5- 1 197.1646 1.26
+  207.1491 C10H17N5- 1 207.1489 0.8
+  212.1398 C8H16N6O- 2 212.1391 3.48
+  222.1597 C10H18N6- 1 222.1598 -0.63
+  224.1756 C10H20N6- 1 224.1755 0.42
+  225.1591 C10H19N5O- 3 225.1595 -1.65
+  240.171 C10H20N6O- 2 240.1704 2.46
+  242.186 C10H22N6O- 1 242.1861 -0.27
+  307.2132 CH33N5O12- 5 307.2131 0.37
+  325.2236 C15H33O7- 4 325.2232 1.3
+PK$NUM_PEAK: 35
+PK$PEAK: m/z int. rel.int.
+  109.0405 13427 19
+  110.0247 212257.2 309
+  111.0197 16112 23
+  112.0403 71514.1 104
+  112.0767 49234.4 71
+  121.0408 16738.6 24
+  123.056 29419 42
+  124.0404 109743.4 159
+  127.051 40837.6 59
+  128.0352 685822.4 999
+  129.1032 428406.8 624
+  130.0871 30861.2 44
+  131.0865 29712.3 43
+  139.0874 126130.2 183
+  151.1237 21695.2 31
+  155.082 124734.9 181
+  156.0773 13153.2 19
+  164.0951 55182.2 80
+  167.0819 37435.1 54
+  168.1143 20259.6 29
+  169.1341 23158.8 33
+  180.1135 37894.6 55
+  181.0974 86902.8 126
+  195.1128 144041.9 209
+  195.1493 20266.6 29
+  197.1648 33627.6 48
+  207.1491 196219.4 285
+  212.1398 21004.5 30
+  222.1597 136290.6 198
+  224.1756 239498.8 348
+  225.1591 55037.2 80
+  240.171 50145.4 73
+  242.186 162026.5 236
+  307.2132 100221.7 145
+  325.2236 25897 37
+//
diff --git a/Eawag/MSBNK-EAWAG-ED199758.txt b/Eawag/MSBNK-EAWAG-ED199758.txt
new file mode 100644
index 0000000000..9a82aac5d9
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED199758.txt
@@ -0,0 +1,82 @@
+ACCESSION: MSBNK-EAWAG-ED199758
+RECORD_TITLE: [D-Leu1]MC-LR; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], K. Thomas [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: http://dx.doi.org/10.1016/j.toxicon.2013.03.016
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 1997
+CH$NAME: [D-Leu1]MC-LR
+CH$NAME: [D-Leu^(1)]-microcystin-LR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,12,19-trimethyl-2-methylidene-5,8-bis(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H80N10O12
+CH$EXACT_MASS: 1036.595718
+CH$SMILES: O=C(N(C)C(C(N[C@@H](C1=O)CC(C)C)=O)=C)CC[C@H](C(O)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CCCNC(N)=N)NC([C@@H](C)[C@H](C(O)=O)NC([C@@H](N1)CC(C)C)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C52H80N10O12/c1-28(2)24-39-48(68)60-40(25-29(3)4)49(69)61-43(51(72)73)33(8)45(65)57-37(18-15-23-55-52(53)54)47(67)56-36(20-19-30(5)26-31(6)41(74-11)27-35-16-13-12-14-17-35)32(7)44(64)58-38(50(70)71)21-22-42(63)62(10)34(9)46(66)59-39/h12-14,16-17,19-20,26,28-29,31-33,36-41,43H,9,15,18,21-25,27H2,1-8,10-11H3,(H,56,67)(H,57,65)(H,58,64)(H,59,66)(H,60,68)(H,61,69)(H,70,71)(H,72,73)(H4,53,54,55)/b20-19+,30-26+/t31-,32-,33-,36-,37-,38+,39+,40-,41-,43+/m0/s1
+CH$LINK: PUBCHEM CID:636790
+CH$LINK: INCHIKEY PYRKYAINAPVHFV-OGPAHFFASA-N
+CH$LINK: CHEMSPIDER 552506
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 107-1077
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 15.607 min
+MS$FOCUSED_ION: BASE_PEAK 1035.5884
+MS$FOCUSED_ION: PRECURSOR_M/Z 1035.5884
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-004i-0910000000-e525fb65a267fbd0882d
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  109.0406 C5H5N2O- 1 109.0407 -1.26
+  110.0247 C5H4NO2- 1 110.0248 -0.43
+  111.02 C4H3N2O2- 1 111.02 0
+  112.0405 C5H6NO2- 1 112.0404 0.77
+  112.0768 C6H10NO- 1 112.0768 -0.19
+  124.0405 C6H6NO2- 1 124.0404 1
+  127.0517 C5H7N2O2- 1 127.0513 2.8
+  128.0352 C5H6NO3- 1 128.0353 -0.88
+  129.1033 C6H13N2O- 1 129.1033 -0.49
+  138.043 C6H6N2O2- 1 138.0435 -3.53
+  139.0872 C7H11N2O- 1 139.0877 -3.35
+  153.1027 C8H13N2O- 2 153.1033 -4.28
+  155.0821 C7H11N2O2- 1 155.0826 -3.21
+  164.0948 C9H12N2O- 2 164.0955 -4.56
+  181.0974 C7H11N5O- 2 181.0969 2.64
+  207.1494 C10H17N5- 2 207.1489 2.2
+  222.1599 C10H18N6- 1 222.1598 0.13
+  224.1029 C8H12N6O2- 1 224.1027 0.77
+  224.1757 C10H20N6- 1 224.1755 0.83
+PK$NUM_PEAK: 19
+PK$PEAK: m/z int. rel.int.
+  109.0406 21292.1 54
+  110.0247 201895.3 512
+  111.02 26900.8 68
+  112.0405 48880.2 124
+  112.0768 52455.7 133
+  124.0405 82118.5 208
+  127.0517 23280 59
+  128.0352 393215.1 999
+  129.1033 328907.7 835
+  138.043 28663.7 72
+  139.0872 81415.7 206
+  153.1027 18422.3 46
+  155.0821 81519.7 207
+  164.0948 58996 149
+  181.0974 69905.4 177
+  207.1494 73960.7 187
+  222.1599 53720.5 136
+  224.1029 36100.4 91
+  224.1757 151716.8 385
+//
diff --git a/Eawag/MSBNK-EAWAG-ED201401.txt b/Eawag/MSBNK-EAWAG-ED201401.txt
new file mode 100644
index 0000000000..56fdd35945
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED201401.txt
@@ -0,0 +1,46 @@
+ACCESSION: MSBNK-EAWAG-ED201401
+RECORD_TITLE: [D-Glu(OMe)6]MC-YR (and isomers); LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.02.14
+AUTHORS: R. Natumi [dtc], E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1021/acs.est.1c04194
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 2014
+CH$NAME: [D-Glu(OMe)6]MC-YR (and isomers)
+CH$NAME: [D-MeO-Glu6]MC-YR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-8-[(4-hydroxyphenyl)methyl]-22-methoxycarbonyl-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11-carboxylic acid
+CH$COMPOUND_CLASS: N/A
+CH$FORMULA: C53H74N10O13
+CH$EXACT_MASS: 1058.543682
+CH$SMILES: O=C(N(C)C(C(N[C@@H](C1=O)C)=O)=C)CC[C@H](C(OC)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CCCNC(N)=N)NC([C@@H](C)[C@H](C(O)=O)NC([C@@H](N1)CC3=CC=C(O)C=C3)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C53H74N10O13/c1-29(26-30(2)42(75-8)28-35-14-11-10-12-15-35)17-22-38-31(3)45(66)60-40(52(74)76-9)23-24-43(65)63(7)34(6)48(69)57-33(5)47(68)61-41(27-36-18-20-37(64)21-19-36)50(71)62-44(51(72)73)32(4)46(67)59-39(49(70)58-38)16-13-25-56-53(54)55/h10-12,14-15,17-22,26,30-33,38-42,44,64H,6,13,16,23-25,27-28H2,1-5,7-9H3,(H,57,69)(H,58,70)(H,59,67)(H,60,66)(H,61,68)(H,62,71)(H,72,73)(H4,54,55,56)/b22-17+,29-26+/t30-,31-,32-,33+,38-,39-,40+,41-,42-,44+/m0/s1
+CH$LINK: CHEBI 214103
+CH$LINK: PUBCHEM CID:146683831
+CH$LINK: INCHIKEY SVUNNHQOHLLNGA-OCQZQFOGSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 110-1102
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.934 min
+MS$FOCUSED_ION: BASE_PEAK 858.4379
+MS$FOCUSED_ION: PRECURSOR_M/Z 1059.551
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0a4i-9000000000-f0ef631fd1d312fb95c8
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  1059.548 C53H75N10O13+ 1 1059.551 -2.77
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  1059.548 16204358 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED201402.txt b/Eawag/MSBNK-EAWAG-ED201402.txt
new file mode 100644
index 0000000000..abeb218efb
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED201402.txt
@@ -0,0 +1,46 @@
+ACCESSION: MSBNK-EAWAG-ED201402
+RECORD_TITLE: [D-Glu(OMe)6]MC-YR (and isomers); LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.02.14
+AUTHORS: R. Natumi [dtc], E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1021/acs.est.1c04194
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 2014
+CH$NAME: [D-Glu(OMe)6]MC-YR (and isomers)
+CH$NAME: [D-MeO-Glu6]MC-YR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-8-[(4-hydroxyphenyl)methyl]-22-methoxycarbonyl-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11-carboxylic acid
+CH$COMPOUND_CLASS: N/A
+CH$FORMULA: C53H74N10O13
+CH$EXACT_MASS: 1058.543682
+CH$SMILES: O=C(N(C)C(C(N[C@@H](C1=O)C)=O)=C)CC[C@H](C(OC)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CCCNC(N)=N)NC([C@@H](C)[C@H](C(O)=O)NC([C@@H](N1)CC3=CC=C(O)C=C3)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C53H74N10O13/c1-29(26-30(2)42(75-8)28-35-14-11-10-12-15-35)17-22-38-31(3)45(66)60-40(52(74)76-9)23-24-43(65)63(7)34(6)48(69)57-33(5)47(68)61-41(27-36-18-20-37(64)21-19-36)50(71)62-44(51(72)73)32(4)46(67)59-39(49(70)58-38)16-13-25-56-53(54)55/h10-12,14-15,17-22,26,30-33,38-42,44,64H,6,13,16,23-25,27-28H2,1-5,7-9H3,(H,57,69)(H,58,70)(H,59,67)(H,60,66)(H,61,68)(H,62,71)(H,72,73)(H4,54,55,56)/b22-17+,29-26+/t30-,31-,32-,33+,38-,39-,40+,41-,42-,44+/m0/s1
+CH$LINK: CHEBI 214103
+CH$LINK: PUBCHEM CID:146683831
+CH$LINK: INCHIKEY SVUNNHQOHLLNGA-OCQZQFOGSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 110-1102
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.934 min
+MS$FOCUSED_ION: BASE_PEAK 858.4379
+MS$FOCUSED_ION: PRECURSOR_M/Z 1059.551
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0a4i-9000000000-65bf152456e2c049a13e
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  1059.5492 C53H75N10O13+ 1 1059.551 -1.62
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  1059.5492 16324927 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED201403.txt b/Eawag/MSBNK-EAWAG-ED201403.txt
new file mode 100644
index 0000000000..47fa6fa66b
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED201403.txt
@@ -0,0 +1,48 @@
+ACCESSION: MSBNK-EAWAG-ED201403
+RECORD_TITLE: [D-Glu(OMe)6]MC-YR (and isomers); LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.02.14
+AUTHORS: R. Natumi [dtc], E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1021/acs.est.1c04194
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 2014
+CH$NAME: [D-Glu(OMe)6]MC-YR (and isomers)
+CH$NAME: [D-MeO-Glu6]MC-YR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-8-[(4-hydroxyphenyl)methyl]-22-methoxycarbonyl-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11-carboxylic acid
+CH$COMPOUND_CLASS: N/A
+CH$FORMULA: C53H74N10O13
+CH$EXACT_MASS: 1058.543682
+CH$SMILES: O=C(N(C)C(C(N[C@@H](C1=O)C)=O)=C)CC[C@H](C(OC)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CCCNC(N)=N)NC([C@@H](C)[C@H](C(O)=O)NC([C@@H](N1)CC3=CC=C(O)C=C3)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C53H74N10O13/c1-29(26-30(2)42(75-8)28-35-14-11-10-12-15-35)17-22-38-31(3)45(66)60-40(52(74)76-9)23-24-43(65)63(7)34(6)48(69)57-33(5)47(68)61-41(27-36-18-20-37(64)21-19-36)50(71)62-44(51(72)73)32(4)46(67)59-39(49(70)58-38)16-13-25-56-53(54)55/h10-12,14-15,17-22,26,30-33,38-42,44,64H,6,13,16,23-25,27-28H2,1-5,7-9H3,(H,57,69)(H,58,70)(H,59,67)(H,60,66)(H,61,68)(H,62,71)(H,72,73)(H4,54,55,56)/b22-17+,29-26+/t30-,31-,32-,33+,38-,39-,40+,41-,42-,44+/m0/s1
+CH$LINK: CHEBI 214103
+CH$LINK: PUBCHEM CID:146683831
+CH$LINK: INCHIKEY SVUNNHQOHLLNGA-OCQZQFOGSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 110-1102
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.934 min
+MS$FOCUSED_ION: BASE_PEAK 858.4379
+MS$FOCUSED_ION: PRECURSOR_M/Z 1059.551
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0a4i-9000000000-5554d32102d47a0fab9c
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  1031.5552 C52H75N10O12+ 1 1031.556 -0.81
+  1059.5494 C53H75N10O13+ 1 1059.551 -1.51
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  1031.5552 189384 13
+  1059.5494 14201713 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED201404.txt b/Eawag/MSBNK-EAWAG-ED201404.txt
new file mode 100644
index 0000000000..af7713c888
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED201404.txt
@@ -0,0 +1,62 @@
+ACCESSION: MSBNK-EAWAG-ED201404
+RECORD_TITLE: [D-Glu(OMe)6]MC-YR (and isomers); LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.02.14
+AUTHORS: R. Natumi [dtc], E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1021/acs.est.1c04194
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 2014
+CH$NAME: [D-Glu(OMe)6]MC-YR (and isomers)
+CH$NAME: [D-MeO-Glu6]MC-YR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-8-[(4-hydroxyphenyl)methyl]-22-methoxycarbonyl-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11-carboxylic acid
+CH$COMPOUND_CLASS: N/A
+CH$FORMULA: C53H74N10O13
+CH$EXACT_MASS: 1058.543682
+CH$SMILES: O=C(N(C)C(C(N[C@@H](C1=O)C)=O)=C)CC[C@H](C(OC)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CCCNC(N)=N)NC([C@@H](C)[C@H](C(O)=O)NC([C@@H](N1)CC3=CC=C(O)C=C3)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C53H74N10O13/c1-29(26-30(2)42(75-8)28-35-14-11-10-12-15-35)17-22-38-31(3)45(66)60-40(52(74)76-9)23-24-43(65)63(7)34(6)48(69)57-33(5)47(68)61-41(27-36-18-20-37(64)21-19-36)50(71)62-44(51(72)73)32(4)46(67)59-39(49(70)58-38)16-13-25-56-53(54)55/h10-12,14-15,17-22,26,30-33,38-42,44,64H,6,13,16,23-25,27-28H2,1-5,7-9H3,(H,57,69)(H,58,70)(H,59,67)(H,60,66)(H,61,68)(H,62,71)(H,72,73)(H4,54,55,56)/b22-17+,29-26+/t30-,31-,32-,33+,38-,39-,40+,41-,42-,44+/m0/s1
+CH$LINK: CHEBI 214103
+CH$LINK: PUBCHEM CID:146683831
+CH$LINK: INCHIKEY SVUNNHQOHLLNGA-OCQZQFOGSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 110-1102
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.934 min
+MS$FOCUSED_ION: BASE_PEAK 858.4379
+MS$FOCUSED_ION: PRECURSOR_M/Z 1059.551
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0a4i-9000000000-26cae6e633dbd6f01420
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  135.0804 C9H11O+ 1 135.0804 -0.57
+  150.0909 C9H12NO+ 1 150.0913 -2.67
+  163.1116 C11H15O+ 1 163.1117 -1.01
+  174.1345 C6H16N5O+ 1 174.1349 -2.6
+  213.0862 C9H13N2O4+ 2 213.087 -3.53
+  285.1665 C10H25N2O7+ 3 285.1656 2.96
+  375.1913 C19H21N9+ 6 375.1914 -0.26
+  1031.5552 C52H75N10O12+ 1 1031.556 -0.81
+  1059.5499 C53H75N10O13+ 1 1059.551 -1.05
+PK$NUM_PEAK: 9
+PK$PEAK: m/z int. rel.int.
+  135.0804 182568.4 27
+  150.0909 117842.5 18
+  163.1116 93279.6 14
+  174.1345 126795.8 19
+  213.0862 141778.2 21
+  285.1665 104582.8 16
+  375.1913 222088.3 33
+  1031.5552 471537.1 72
+  1059.5499 6526237.5 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED201405.txt b/Eawag/MSBNK-EAWAG-ED201405.txt
new file mode 100644
index 0000000000..097e0ff422
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED201405.txt
@@ -0,0 +1,116 @@
+ACCESSION: MSBNK-EAWAG-ED201405
+RECORD_TITLE: [D-Glu(OMe)6]MC-YR (and isomers); LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.02.14
+AUTHORS: R. Natumi [dtc], E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1021/acs.est.1c04194
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 2014
+CH$NAME: [D-Glu(OMe)6]MC-YR (and isomers)
+CH$NAME: [D-MeO-Glu6]MC-YR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-8-[(4-hydroxyphenyl)methyl]-22-methoxycarbonyl-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11-carboxylic acid
+CH$COMPOUND_CLASS: N/A
+CH$FORMULA: C53H74N10O13
+CH$EXACT_MASS: 1058.543682
+CH$SMILES: O=C(N(C)C(C(N[C@@H](C1=O)C)=O)=C)CC[C@H](C(OC)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CCCNC(N)=N)NC([C@@H](C)[C@H](C(O)=O)NC([C@@H](N1)CC3=CC=C(O)C=C3)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C53H74N10O13/c1-29(26-30(2)42(75-8)28-35-14-11-10-12-15-35)17-22-38-31(3)45(66)60-40(52(74)76-9)23-24-43(65)63(7)34(6)48(69)57-33(5)47(68)61-41(27-36-18-20-37(64)21-19-36)50(71)62-44(51(72)73)32(4)46(67)59-39(49(70)58-38)16-13-25-56-53(54)55/h10-12,14-15,17-22,26,30-33,38-42,44,64H,6,13,16,23-25,27-28H2,1-5,7-9H3,(H,57,69)(H,58,70)(H,59,67)(H,60,66)(H,61,68)(H,62,71)(H,72,73)(H4,54,55,56)/b22-17+,29-26+/t30-,31-,32-,33+,38-,39-,40+,41-,42-,44+/m0/s1
+CH$LINK: CHEBI 214103
+CH$LINK: PUBCHEM CID:146683831
+CH$LINK: INCHIKEY SVUNNHQOHLLNGA-OCQZQFOGSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 110-1102
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.934 min
+MS$FOCUSED_ION: BASE_PEAK 858.4379
+MS$FOCUSED_ION: PRECURSOR_M/Z 1059.551
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0gw0-0920000000-a26bfad54d60450d97f7
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  112.0867 C5H10N3+ 1 112.0869 -2.37
+  114.1027 C5H12N3+ 1 114.1026 1.17
+  115.0865 C5H11N2O+ 1 115.0866 -0.77
+  117.0698 C9H9+ 1 117.0699 -1.04
+  124.1118 C8H14N+ 1 124.1121 -2.04
+  127.0862 C6H11N2O+ 1 127.0866 -2.75
+  130.0493 C5H8NO3+ 1 130.0499 -4.4
+  131.0856 C10H11+ 1 131.0855 0.66
+  133.0645 C9H9O+ 1 133.0648 -2.44
+  135.0801 C9H11O+ 1 135.0804 -2.27
+  135.1163 C10H15+ 1 135.1168 -3.68
+  138.0545 C7H8NO2+ 1 138.055 -3.56
+  139.0976 C6H11N4+ 1 139.0978 -1.85
+  140.0818 C6H10N3O+ 1 140.0818 -0.06
+  150.0909 C9H12NO+ 1 150.0913 -2.77
+  155.081 C7H11N2O2+ 1 155.0815 -3.52
+  156.1239 C6H14N5+ 1 156.1244 -2.75
+  157.108 C6H13N4O+ 1 157.1084 -2.19
+  158.0924 C6H12N3O2+ 1 158.0924 -0.2
+  161.0956 C11H13O+ 1 161.0961 -3.2
+  163.1113 C11H15O+ 1 163.1117 -2.6
+  167.0811 C8H11N2O2+ 1 167.0815 -2.36
+  174.1345 C6H16N5O+ 1 174.1349 -2.6
+  175.1188 C6H15N4O2+ 1 175.119 -0.91
+  182.1033 C7H12N5O+ 1 182.1036 -1.73
+  183.0873 C7H11N4O2+ 1 183.0877 -1.88
+  195.0757 C9H11N2O3+ 2 195.0764 -3.54
+  200.1134 C6H18NO6+ 3 200.1129 2.81
+  201.097 C6H17O7+ 2 201.0969 0.83
+  213.0862 C9H13N2O4+ 2 213.087 -3.74
+  223.1179 C9H19O6+ 3 223.1176 1.48
+  226.1177 C8H14N6O2+ 2 226.1173 1.7
+  237.1624 C2H21N8O5+ 3 237.1629 -2.11
+  239.0652 C8H9N5O4+ 3 239.0649 1.38
+  285.1661 C10H25N2O7+ 3 285.1656 1.78
+  375.1911 C19H21N9+ 6 375.1914 -0.99
+PK$NUM_PEAK: 36
+PK$PEAK: m/z int. rel.int.
+  112.0867 184539.3 210
+  114.1027 26227.2 29
+  115.0865 81144.5 92
+  117.0698 41057.8 46
+  124.1118 25735.9 29
+  127.0862 298167 339
+  130.0493 15136.3 17
+  131.0856 23928.3 27
+  133.0645 25753.2 29
+  135.0801 877695.5 999
+  135.1163 317437.6 361
+  138.0545 47515.9 54
+  139.0976 21478.2 24
+  140.0818 54142.6 61
+  150.0909 391524.2 445
+  155.081 276820.8 315
+  156.1239 62278.7 70
+  157.108 186470.6 212
+  158.0924 35580.7 40
+  161.0956 29493.5 33
+  163.1113 253055.9 288
+  167.0811 56778 64
+  174.1345 197366.5 224
+  175.1188 37161 42
+  182.1033 32650.9 37
+  183.0873 39133.6 44
+  195.0757 73677.3 83
+  200.1134 218192.1 248
+  201.097 53873.5 61
+  213.0862 440252.7 501
+  223.1179 44972.3 51
+  226.1177 78563.7 89
+  237.1624 41148.4 46
+  239.0652 72698.9 82
+  285.1661 114036.5 129
+  375.1911 146036.1 166
+//
diff --git a/Eawag/MSBNK-EAWAG-ED201406.txt b/Eawag/MSBNK-EAWAG-ED201406.txt
new file mode 100644
index 0000000000..e9162a9fb0
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED201406.txt
@@ -0,0 +1,116 @@
+ACCESSION: MSBNK-EAWAG-ED201406
+RECORD_TITLE: [D-Glu(OMe)6]MC-YR (and isomers); LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.02.14
+AUTHORS: R. Natumi [dtc], E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1021/acs.est.1c04194
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 2014
+CH$NAME: [D-Glu(OMe)6]MC-YR (and isomers)
+CH$NAME: [D-MeO-Glu6]MC-YR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-8-[(4-hydroxyphenyl)methyl]-22-methoxycarbonyl-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11-carboxylic acid
+CH$COMPOUND_CLASS: N/A
+CH$FORMULA: C53H74N10O13
+CH$EXACT_MASS: 1058.543682
+CH$SMILES: O=C(N(C)C(C(N[C@@H](C1=O)C)=O)=C)CC[C@H](C(OC)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CCCNC(N)=N)NC([C@@H](C)[C@H](C(O)=O)NC([C@@H](N1)CC3=CC=C(O)C=C3)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C53H74N10O13/c1-29(26-30(2)42(75-8)28-35-14-11-10-12-15-35)17-22-38-31(3)45(66)60-40(52(74)76-9)23-24-43(65)63(7)34(6)48(69)57-33(5)47(68)61-41(27-36-18-20-37(64)21-19-36)50(71)62-44(51(72)73)32(4)46(67)59-39(49(70)58-38)16-13-25-56-53(54)55/h10-12,14-15,17-22,26,30-33,38-42,44,64H,6,13,16,23-25,27-28H2,1-5,7-9H3,(H,57,69)(H,58,70)(H,59,67)(H,60,66)(H,61,68)(H,62,71)(H,72,73)(H4,54,55,56)/b22-17+,29-26+/t30-,31-,32-,33+,38-,39-,40+,41-,42-,44+/m0/s1
+CH$LINK: CHEBI 214103
+CH$LINK: PUBCHEM CID:146683831
+CH$LINK: INCHIKEY SVUNNHQOHLLNGA-OCQZQFOGSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 110-1102
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.934 min
+MS$FOCUSED_ION: BASE_PEAK 858.4379
+MS$FOCUSED_ION: PRECURSOR_M/Z 1059.551
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-000i-0910000000-2fa4a0556da6395157b1
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  112.0867 C5H10N3+ 1 112.0869 -1.63
+  113.0706 C5H9N2O+ 1 113.0709 -2.75
+  114.1022 C5H12N3+ 1 114.1026 -3.18
+  115.0541 C9H7+ 1 115.0542 -1.45
+  115.0863 C5H11N2O+ 1 115.0866 -2.5
+  117.0697 C9H9+ 1 117.0699 -1.43
+  120.0808 C8H10N+ 1 120.0808 0.39
+  124.1122 C8H14N+ 1 124.1121 1.16
+  127.0863 C6H11N2O+ 1 127.0866 -1.91
+  130.05 C5H8NO3+ 1 130.0499 0.64
+  130.0972 C5H12N3O+ 1 130.0975 -2.02
+  131.0852 C10H11+ 1 131.0855 -2.36
+  133.0646 C9H9O+ 1 133.0648 -1.06
+  135.0802 C9H11O+ 1 135.0804 -1.7
+  135.1163 C10H15+ 1 135.1168 -3.91
+  139.0978 C6H11N4+ 1 139.0978 -0.42
+  140.0814 C6H10N3O+ 1 140.0818 -2.9
+  141.0655 C6H9N2O2+ 1 141.0659 -2.4
+  143.0852 C11H11+ 1 143.0855 -2.57
+  145.1014 C11H13+ 1 145.1012 1.22
+  149.0708 C8H9N2O+ 1 149.0709 -1.06
+  150.091 C9H12NO+ 1 150.0913 -1.96
+  155.081 C7H11N2O2+ 1 155.0815 -3.33
+  157.1079 C6H13N4O+ 1 157.1084 -2.97
+  158.0921 C6H12N3O2+ 1 158.0924 -1.74
+  163.1115 C11H15O+ 1 163.1117 -1.75
+  167.0812 C8H11N2O2+ 1 167.0815 -1.72
+  174.1351 C6H16N5O+ 1 174.1349 1.17
+  175.1183 C6H15N4O2+ 3 175.119 -3.79
+  182.1038 C7H12N5O+ 1 182.1036 1.04
+  183.0872 C7H11N4O2+ 3 183.0877 -2.63
+  200.1136 C6H18NO6+ 3 200.1129 3.5
+  213.0863 C9H13N2O4+ 2 213.087 -3.24
+  223.1178 C9H19O6+ 3 223.1176 1
+  225.1342 C10H17N4O2+ 3 225.1346 -1.75
+  226.1177 C8H14N6O2+ 2 226.1173 1.7
+PK$NUM_PEAK: 36
+PK$PEAK: m/z int. rel.int.
+  112.0867 206281.4 224
+  113.0706 58010.6 63
+  114.1022 43487 47
+  115.0541 45446.3 49
+  115.0863 138198.5 150
+  117.0697 132505.6 144
+  120.0808 30736.8 33
+  124.1122 25021.5 27
+  127.0863 533151.5 580
+  130.05 25393.7 27
+  130.0972 9604.5 10
+  131.0852 36035.2 39
+  133.0646 37778.8 41
+  135.0802 917755.8 999
+  135.1163 292184 318
+  139.0978 22452.1 24
+  140.0814 73431.7 79
+  141.0655 80842 87
+  143.0852 18257 19
+  145.1014 31387.5 34
+  149.0708 12663.9 13
+  150.091 242098.1 263
+  155.081 211028.1 229
+  157.1079 110169.1 119
+  158.0921 41519.2 45
+  163.1115 132018.6 143
+  167.0812 125318.2 136
+  174.1351 69833.6 76
+  175.1183 20566.1 22
+  182.1038 29945.4 32
+  183.0872 55182.5 60
+  200.1136 174202.2 189
+  213.0863 283402.6 308
+  223.1178 29092.7 31
+  225.1342 28535.4 31
+  226.1177 64213.1 69
+//
diff --git a/Eawag/MSBNK-EAWAG-ED201407.txt b/Eawag/MSBNK-EAWAG-ED201407.txt
new file mode 100644
index 0000000000..48696cdfc0
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED201407.txt
@@ -0,0 +1,102 @@
+ACCESSION: MSBNK-EAWAG-ED201407
+RECORD_TITLE: [D-Glu(OMe)6]MC-YR (and isomers); LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.02.14
+AUTHORS: R. Natumi [dtc], E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1021/acs.est.1c04194
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 2014
+CH$NAME: [D-Glu(OMe)6]MC-YR (and isomers)
+CH$NAME: [D-MeO-Glu6]MC-YR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-8-[(4-hydroxyphenyl)methyl]-22-methoxycarbonyl-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11-carboxylic acid
+CH$COMPOUND_CLASS: N/A
+CH$FORMULA: C53H74N10O13
+CH$EXACT_MASS: 1058.543682
+CH$SMILES: O=C(N(C)C(C(N[C@@H](C1=O)C)=O)=C)CC[C@H](C(OC)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CCCNC(N)=N)NC([C@@H](C)[C@H](C(O)=O)NC([C@@H](N1)CC3=CC=C(O)C=C3)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C53H74N10O13/c1-29(26-30(2)42(75-8)28-35-14-11-10-12-15-35)17-22-38-31(3)45(66)60-40(52(74)76-9)23-24-43(65)63(7)34(6)48(69)57-33(5)47(68)61-41(27-36-18-20-37(64)21-19-36)50(71)62-44(51(72)73)32(4)46(67)59-39(49(70)58-38)16-13-25-56-53(54)55/h10-12,14-15,17-22,26,30-33,38-42,44,64H,6,13,16,23-25,27-28H2,1-5,7-9H3,(H,57,69)(H,58,70)(H,59,67)(H,60,66)(H,61,68)(H,62,71)(H,72,73)(H4,54,55,56)/b22-17+,29-26+/t30-,31-,32-,33+,38-,39-,40+,41-,42-,44+/m0/s1
+CH$LINK: CHEBI 214103
+CH$LINK: PUBCHEM CID:146683831
+CH$LINK: INCHIKEY SVUNNHQOHLLNGA-OCQZQFOGSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 110-1102
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.934 min
+MS$FOCUSED_ION: BASE_PEAK 858.4379
+MS$FOCUSED_ION: PRECURSOR_M/Z 1059.551
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-002r-0900000000-5468c88842a77e4f327f
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  112.0868 C5H10N3+ 1 112.0869 -1.42
+  113.071 C5H9N2O+ 1 113.0709 0.35
+  114.1027 C5H12N3+ 1 114.1026 0.77
+  115.0538 C9H7+ 1 115.0542 -3.7
+  115.0865 C5H11N2O+ 1 115.0866 -1.11
+  117.0696 C9H9+ 1 117.0699 -2.67
+  119.0855 C9H11+ 1 119.0855 -0.28
+  120.0806 C8H10N+ 1 120.0808 -1.39
+  124.1122 C8H14N+ 1 124.1121 1.16
+  127.0862 C6H11N2O+ 1 127.0866 -2.69
+  130.05 C5H8NO3+ 1 130.0499 1.23
+  131.0854 C10H11+ 1 131.0855 -0.62
+  133.0645 C9H9O+ 1 133.0648 -1.98
+  135.0801 C9H11O+ 1 135.0804 -2.38
+  135.1163 C10H15+ 1 135.1168 -3.68
+  138.0545 C7H8NO2+ 1 138.055 -3.34
+  140.0817 C6H10N3O+ 1 140.0818 -1.26
+  141.0654 C6H9N2O2+ 1 141.0659 -2.95
+  145.1014 C11H13+ 1 145.1012 1.22
+  149.0706 C8H9N2O+ 1 149.0709 -2.29
+  150.0912 C9H12NO+ 1 150.0913 -1.14
+  155.081 C7H11N2O2+ 1 155.0815 -3.33
+  158.0928 C6H12N3O2+ 1 158.0924 2.41
+  163.1116 C11H15O+ 1 163.1117 -0.91
+  167.0811 C8H11N2O2+ 1 167.0815 -2.63
+  182.1034 C7H12N5O+ 1 182.1036 -1.22
+  183.0871 C7H11N4O2+ 3 183.0877 -3.13
+  195.0757 C9H11N2O3+ 2 195.0764 -3.54
+  213.0862 C9H13N2O4+ 2 213.087 -3.53
+PK$NUM_PEAK: 29
+PK$PEAK: m/z int. rel.int.
+  112.0868 175191 280
+  113.071 27938.3 44
+  114.1027 36838.9 59
+  115.0538 88528.2 141
+  115.0865 110970.1 177
+  117.0696 170814.8 273
+  119.0855 19567.9 31
+  120.0806 30698.6 49
+  124.1122 19131.1 30
+  127.0862 493910.4 791
+  130.05 36744.5 58
+  131.0854 33802.9 54
+  133.0645 33467.7 53
+  135.0801 623306 999
+  135.1163 216655.3 347
+  138.0545 45005.9 72
+  140.0817 57020.1 91
+  141.0654 114180.3 183
+  145.1014 26166.9 41
+  149.0706 26936.3 43
+  150.0912 87736.1 140
+  155.081 94889.3 152
+  158.0928 29192.3 46
+  163.1116 50719.7 81
+  167.0811 134719.8 215
+  182.1034 30099.1 48
+  183.0871 31620.9 50
+  195.0757 64135.4 102
+  213.0862 128098.2 205
+//
diff --git a/Eawag/MSBNK-EAWAG-ED201451.txt b/Eawag/MSBNK-EAWAG-ED201451.txt
new file mode 100644
index 0000000000..3881745fba
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED201451.txt
@@ -0,0 +1,48 @@
+ACCESSION: MSBNK-EAWAG-ED201451
+RECORD_TITLE: [D-Glu(OMe)6]MC-YR (and isomers); LC-ESI-QFT; MS2; CE: 15%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.02.14
+AUTHORS: R. Natumi [dtc], E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1021/acs.est.1c04194
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 2014
+CH$NAME: [D-Glu(OMe)6]MC-YR (and isomers)
+CH$NAME: [D-MeO-Glu6]MC-YR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-8-[(4-hydroxyphenyl)methyl]-22-methoxycarbonyl-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11-carboxylic acid
+CH$COMPOUND_CLASS: N/A
+CH$FORMULA: C53H74N10O13
+CH$EXACT_MASS: 1058.543682
+CH$SMILES: O=C(N(C)C(C(N[C@@H](C1=O)C)=O)=C)CC[C@H](C(OC)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CCCNC(N)=N)NC([C@@H](C)[C@H](C(O)=O)NC([C@@H](N1)CC3=CC=C(O)C=C3)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C53H74N10O13/c1-29(26-30(2)42(75-8)28-35-14-11-10-12-15-35)17-22-38-31(3)45(66)60-40(52(74)76-9)23-24-43(65)63(7)34(6)48(69)57-33(5)47(68)61-41(27-36-18-20-37(64)21-19-36)50(71)62-44(51(72)73)32(4)46(67)59-39(49(70)58-38)16-13-25-56-53(54)55/h10-12,14-15,17-22,26,30-33,38-42,44,64H,6,13,16,23-25,27-28H2,1-5,7-9H3,(H,57,69)(H,58,70)(H,59,67)(H,60,66)(H,61,68)(H,62,71)(H,72,73)(H4,54,55,56)/b22-17+,29-26+/t30-,31-,32-,33+,38-,39-,40+,41-,42-,44+/m0/s1
+CH$LINK: CHEBI 214103
+CH$LINK: PUBCHEM CID:146683831
+CH$LINK: INCHIKEY SVUNNHQOHLLNGA-OCQZQFOGSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 109-1100
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.947 min
+MS$FOCUSED_ION: BASE_PEAK 856.4258
+MS$FOCUSED_ION: PRECURSOR_M/Z 1057.5364
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0a4i-9000000000-d823070f533826a296fb
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  1039.5272 C53H71N10O12- 1 1039.5258 1.29
+  1057.5368 C53H73N10O13- 1 1057.5364 0.41
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  1039.5272 87912.7 12
+  1057.5368 7215801 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED201452.txt b/Eawag/MSBNK-EAWAG-ED201452.txt
new file mode 100644
index 0000000000..14bd54136b
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED201452.txt
@@ -0,0 +1,48 @@
+ACCESSION: MSBNK-EAWAG-ED201452
+RECORD_TITLE: [D-Glu(OMe)6]MC-YR (and isomers); LC-ESI-QFT; MS2; CE: 20%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.02.14
+AUTHORS: R. Natumi [dtc], E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1021/acs.est.1c04194
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 2014
+CH$NAME: [D-Glu(OMe)6]MC-YR (and isomers)
+CH$NAME: [D-MeO-Glu6]MC-YR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-8-[(4-hydroxyphenyl)methyl]-22-methoxycarbonyl-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11-carboxylic acid
+CH$COMPOUND_CLASS: N/A
+CH$FORMULA: C53H74N10O13
+CH$EXACT_MASS: 1058.543682
+CH$SMILES: O=C(N(C)C(C(N[C@@H](C1=O)C)=O)=C)CC[C@H](C(OC)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CCCNC(N)=N)NC([C@@H](C)[C@H](C(O)=O)NC([C@@H](N1)CC3=CC=C(O)C=C3)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C53H74N10O13/c1-29(26-30(2)42(75-8)28-35-14-11-10-12-15-35)17-22-38-31(3)45(66)60-40(52(74)76-9)23-24-43(65)63(7)34(6)48(69)57-33(5)47(68)61-41(27-36-18-20-37(64)21-19-36)50(71)62-44(51(72)73)32(4)46(67)59-39(49(70)58-38)16-13-25-56-53(54)55/h10-12,14-15,17-22,26,30-33,38-42,44,64H,6,13,16,23-25,27-28H2,1-5,7-9H3,(H,57,69)(H,58,70)(H,59,67)(H,60,66)(H,61,68)(H,62,71)(H,72,73)(H4,54,55,56)/b22-17+,29-26+/t30-,31-,32-,33+,38-,39-,40+,41-,42-,44+/m0/s1
+CH$LINK: CHEBI 214103
+CH$LINK: PUBCHEM CID:146683831
+CH$LINK: INCHIKEY SVUNNHQOHLLNGA-OCQZQFOGSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 109-1100
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.947 min
+MS$FOCUSED_ION: BASE_PEAK 856.4258
+MS$FOCUSED_ION: PRECURSOR_M/Z 1057.5364
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0a4i-9000000000-d6597813fa2b73fb74a5
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  1039.5267 C53H71N10O12- 1 1039.5258 0.82
+  1057.5372 C53H73N10O13- 1 1057.5364 0.76
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  1039.5267 855967.4 138
+  1057.5372 6189408 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED201453.txt b/Eawag/MSBNK-EAWAG-ED201453.txt
new file mode 100644
index 0000000000..afbc51787b
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED201453.txt
@@ -0,0 +1,48 @@
+ACCESSION: MSBNK-EAWAG-ED201453
+RECORD_TITLE: [D-Glu(OMe)6]MC-YR (and isomers); LC-ESI-QFT; MS2; CE: 25%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.02.14
+AUTHORS: R. Natumi [dtc], E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1021/acs.est.1c04194
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 2014
+CH$NAME: [D-Glu(OMe)6]MC-YR (and isomers)
+CH$NAME: [D-MeO-Glu6]MC-YR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-8-[(4-hydroxyphenyl)methyl]-22-methoxycarbonyl-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11-carboxylic acid
+CH$COMPOUND_CLASS: N/A
+CH$FORMULA: C53H74N10O13
+CH$EXACT_MASS: 1058.543682
+CH$SMILES: O=C(N(C)C(C(N[C@@H](C1=O)C)=O)=C)CC[C@H](C(OC)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CCCNC(N)=N)NC([C@@H](C)[C@H](C(O)=O)NC([C@@H](N1)CC3=CC=C(O)C=C3)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C53H74N10O13/c1-29(26-30(2)42(75-8)28-35-14-11-10-12-15-35)17-22-38-31(3)45(66)60-40(52(74)76-9)23-24-43(65)63(7)34(6)48(69)57-33(5)47(68)61-41(27-36-18-20-37(64)21-19-36)50(71)62-44(51(72)73)32(4)46(67)59-39(49(70)58-38)16-13-25-56-53(54)55/h10-12,14-15,17-22,26,30-33,38-42,44,64H,6,13,16,23-25,27-28H2,1-5,7-9H3,(H,57,69)(H,58,70)(H,59,67)(H,60,66)(H,61,68)(H,62,71)(H,72,73)(H4,54,55,56)/b22-17+,29-26+/t30-,31-,32-,33+,38-,39-,40+,41-,42-,44+/m0/s1
+CH$LINK: CHEBI 214103
+CH$LINK: PUBCHEM CID:146683831
+CH$LINK: INCHIKEY SVUNNHQOHLLNGA-OCQZQFOGSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 109-1100
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.947 min
+MS$FOCUSED_ION: BASE_PEAK 856.4258
+MS$FOCUSED_ION: PRECURSOR_M/Z 1057.5364
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0a4r-9000000000-b879a56b9481428bca7e
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  1039.5263 C53H71N10O12- 1 1039.5258 0.47
+  1057.537 C53H73N10O13- 1 1057.5364 0.53
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  1039.5263 2872976 807
+  1057.537 3555187 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED201454.txt b/Eawag/MSBNK-EAWAG-ED201454.txt
new file mode 100644
index 0000000000..8ad1143a92
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED201454.txt
@@ -0,0 +1,58 @@
+ACCESSION: MSBNK-EAWAG-ED201454
+RECORD_TITLE: [D-Glu(OMe)6]MC-YR (and isomers); LC-ESI-QFT; MS2; CE: 30%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.02.14
+AUTHORS: R. Natumi [dtc], E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1021/acs.est.1c04194
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 2014
+CH$NAME: [D-Glu(OMe)6]MC-YR (and isomers)
+CH$NAME: [D-MeO-Glu6]MC-YR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-8-[(4-hydroxyphenyl)methyl]-22-methoxycarbonyl-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11-carboxylic acid
+CH$COMPOUND_CLASS: N/A
+CH$FORMULA: C53H74N10O13
+CH$EXACT_MASS: 1058.543682
+CH$SMILES: O=C(N(C)C(C(N[C@@H](C1=O)C)=O)=C)CC[C@H](C(OC)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CCCNC(N)=N)NC([C@@H](C)[C@H](C(O)=O)NC([C@@H](N1)CC3=CC=C(O)C=C3)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C53H74N10O13/c1-29(26-30(2)42(75-8)28-35-14-11-10-12-15-35)17-22-38-31(3)45(66)60-40(52(74)76-9)23-24-43(65)63(7)34(6)48(69)57-33(5)47(68)61-41(27-36-18-20-37(64)21-19-36)50(71)62-44(51(72)73)32(4)46(67)59-39(49(70)58-38)16-13-25-56-53(54)55/h10-12,14-15,17-22,26,30-33,38-42,44,64H,6,13,16,23-25,27-28H2,1-5,7-9H3,(H,57,69)(H,58,70)(H,59,67)(H,60,66)(H,61,68)(H,62,71)(H,72,73)(H4,54,55,56)/b22-17+,29-26+/t30-,31-,32-,33+,38-,39-,40+,41-,42-,44+/m0/s1
+CH$LINK: CHEBI 214103
+CH$LINK: PUBCHEM CID:146683831
+CH$LINK: INCHIKEY SVUNNHQOHLLNGA-OCQZQFOGSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 109-1100
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.947 min
+MS$FOCUSED_ION: BASE_PEAK 856.4258
+MS$FOCUSED_ION: PRECURSOR_M/Z 1057.5364
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-000i-9000000000-a99d9f11e534965f1da2
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  128.0352 C5H6NO3- 1 128.0353 -0.67
+  347.1724 C17H23N4O4- 6 347.1725 -0.32
+  375.167 C18H23N4O5- 6 375.1674 -1.03
+  476.2149 C22H30N5O7- 8 476.2151 -0.28
+  945.5198 C53H69N8O8- 5 945.5244 -4.89
+  1039.5266 C53H71N10O12- 1 1039.5258 0.7
+  1057.537 C53H73N10O13- 1 1057.5364 0.53
+PK$NUM_PEAK: 7
+PK$PEAK: m/z int. rel.int.
+  128.0352 214302.2 59
+  347.1724 129043 35
+  375.167 54246.6 15
+  476.2149 37239.6 10
+  945.5198 124299.3 34
+  1039.5266 3586762 999
+  1057.537 740066 206
+//
diff --git a/Eawag/MSBNK-EAWAG-ED201455.txt b/Eawag/MSBNK-EAWAG-ED201455.txt
new file mode 100644
index 0000000000..e914142f23
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED201455.txt
@@ -0,0 +1,60 @@
+ACCESSION: MSBNK-EAWAG-ED201455
+RECORD_TITLE: [D-Glu(OMe)6]MC-YR (and isomers); LC-ESI-QFT; MS2; CE: 40%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.02.14
+AUTHORS: R. Natumi [dtc], E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1021/acs.est.1c04194
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 2014
+CH$NAME: [D-Glu(OMe)6]MC-YR (and isomers)
+CH$NAME: [D-MeO-Glu6]MC-YR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-8-[(4-hydroxyphenyl)methyl]-22-methoxycarbonyl-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11-carboxylic acid
+CH$COMPOUND_CLASS: N/A
+CH$FORMULA: C53H74N10O13
+CH$EXACT_MASS: 1058.543682
+CH$SMILES: O=C(N(C)C(C(N[C@@H](C1=O)C)=O)=C)CC[C@H](C(OC)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CCCNC(N)=N)NC([C@@H](C)[C@H](C(O)=O)NC([C@@H](N1)CC3=CC=C(O)C=C3)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C53H74N10O13/c1-29(26-30(2)42(75-8)28-35-14-11-10-12-15-35)17-22-38-31(3)45(66)60-40(52(74)76-9)23-24-43(65)63(7)34(6)48(69)57-33(5)47(68)61-41(27-36-18-20-37(64)21-19-36)50(71)62-44(51(72)73)32(4)46(67)59-39(49(70)58-38)16-13-25-56-53(54)55/h10-12,14-15,17-22,26,30-33,38-42,44,64H,6,13,16,23-25,27-28H2,1-5,7-9H3,(H,57,69)(H,58,70)(H,59,67)(H,60,66)(H,61,68)(H,62,71)(H,72,73)(H4,54,55,56)/b22-17+,29-26+/t30-,31-,32-,33+,38-,39-,40+,41-,42-,44+/m0/s1
+CH$LINK: CHEBI 214103
+CH$LINK: PUBCHEM CID:146683831
+CH$LINK: INCHIKEY SVUNNHQOHLLNGA-OCQZQFOGSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 109-1100
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.947 min
+MS$FOCUSED_ION: BASE_PEAK 856.4258
+MS$FOCUSED_ION: PRECURSOR_M/Z 1057.5364
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-004i-1913000000-ea246628a65980af9449
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  110.025 C5H4NO2- 1 110.0248 2.47
+  123.0563 C6H7N2O- 1 123.0564 -0.49
+  128.0352 C5H6NO3- 1 128.0353 -0.67
+  153.0666 C7H9N2O2- 1 153.067 -2.19
+  229.0976 C13H13N2O2- 2 229.0983 -2.86
+  264.1349 C11H16N6O2- 2 264.134 3.28
+  347.1719 C17H23N4O4- 5 347.1725 -1.73
+  1039.5262 C53H71N10O12- 1 1039.5258 0.35
+PK$NUM_PEAK: 8
+PK$PEAK: m/z int. rel.int.
+  110.025 53227.5 73
+  123.0563 96339.4 133
+  128.0352 723267.4 999
+  153.0666 58281.5 80
+  229.0976 37814.7 52
+  264.1349 122134.6 168
+  347.1719 320596.4 442
+  1039.5262 122297.9 168
+//
diff --git a/Eawag/MSBNK-EAWAG-ED201456.txt b/Eawag/MSBNK-EAWAG-ED201456.txt
new file mode 100644
index 0000000000..120f2eff57
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED201456.txt
@@ -0,0 +1,78 @@
+ACCESSION: MSBNK-EAWAG-ED201456
+RECORD_TITLE: [D-Glu(OMe)6]MC-YR (and isomers); LC-ESI-QFT; MS2; CE: 50%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.02.14
+AUTHORS: R. Natumi [dtc], E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1021/acs.est.1c04194
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 2014
+CH$NAME: [D-Glu(OMe)6]MC-YR (and isomers)
+CH$NAME: [D-MeO-Glu6]MC-YR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-8-[(4-hydroxyphenyl)methyl]-22-methoxycarbonyl-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11-carboxylic acid
+CH$COMPOUND_CLASS: N/A
+CH$FORMULA: C53H74N10O13
+CH$EXACT_MASS: 1058.543682
+CH$SMILES: O=C(N(C)C(C(N[C@@H](C1=O)C)=O)=C)CC[C@H](C(OC)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CCCNC(N)=N)NC([C@@H](C)[C@H](C(O)=O)NC([C@@H](N1)CC3=CC=C(O)C=C3)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C53H74N10O13/c1-29(26-30(2)42(75-8)28-35-14-11-10-12-15-35)17-22-38-31(3)45(66)60-40(52(74)76-9)23-24-43(65)63(7)34(6)48(69)57-33(5)47(68)61-41(27-36-18-20-37(64)21-19-36)50(71)62-44(51(72)73)32(4)46(67)59-39(49(70)58-38)16-13-25-56-53(54)55/h10-12,14-15,17-22,26,30-33,38-42,44,64H,6,13,16,23-25,27-28H2,1-5,7-9H3,(H,57,69)(H,58,70)(H,59,67)(H,60,66)(H,61,68)(H,62,71)(H,72,73)(H4,54,55,56)/b22-17+,29-26+/t30-,31-,32-,33+,38-,39-,40+,41-,42-,44+/m0/s1
+CH$LINK: CHEBI 214103
+CH$LINK: PUBCHEM CID:146683831
+CH$LINK: INCHIKEY SVUNNHQOHLLNGA-OCQZQFOGSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 109-1100
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.947 min
+MS$FOCUSED_ION: BASE_PEAK 856.4258
+MS$FOCUSED_ION: PRECURSOR_M/Z 1057.5364
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-004i-0911000000-1374428014169c402f16
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  110.0247 C5H4NO2- 1 110.0248 -0.72
+  112.0407 C5H6NO2- 1 112.0404 2.24
+  119.0504 C8H7O- 1 119.0502 1.15
+  123.0563 C6H7N2O- 1 123.0564 -0.68
+  124.0405 C6H6NO2- 1 124.0404 0.56
+  128.0352 C5H6NO3- 1 128.0353 -0.67
+  131.0865 C10H11- 1 131.0866 -1.08
+  153.0668 C7H9N2O2- 1 153.067 -1.19
+  167.0828 C8H11N2O2- 1 167.0826 1.43
+  181.0984 C9H13N2O2- 1 181.0983 1.02
+  193.0978 C10H13N2O2- 2 193.0983 -2.3
+  203.0823 C11H11N2O2- 1 203.0826 -1.58
+  219.0775 C11H11N2O3- 1 219.0775 0.03
+  229.0981 C13H13N2O2- 2 229.0983 -0.8
+  246.1242 C13H16N3O2- 3 246.1248 -2.46
+  264.1347 C11H16N6O2- 2 264.134 2.59
+  329.1615 C17H21N4O3- 5 329.1619 -1.17
+PK$NUM_PEAK: 17
+PK$PEAK: m/z int. rel.int.
+  110.0247 66706 144
+  112.0407 22276.6 48
+  119.0504 64657.5 139
+  123.0563 217596.1 470
+  124.0405 69877.9 151
+  128.0352 461943.7 999
+  131.0865 27498.7 59
+  153.0668 74779.6 161
+  167.0828 24373.9 52
+  181.0984 23127.7 50
+  193.0978 97976.5 211
+  203.0823 21672.1 46
+  219.0775 25618.3 55
+  229.0981 34869.9 75
+  246.1242 61166.4 132
+  264.1347 103411 223
+  329.1615 140133 303
+//
diff --git a/Eawag/MSBNK-EAWAG-ED201501.txt b/Eawag/MSBNK-EAWAG-ED201501.txt
new file mode 100644
index 0000000000..f2878762c6
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED201501.txt
@@ -0,0 +1,45 @@
+ACCESSION: MSBNK-EAWAG-ED201501
+RECORD_TITLE: MC-HtyR; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 3
+COMMENT: CyanoMetDB_ID 2015
+CH$NAME: MC-HtyR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-(3-guanidinopropyl)-8-(4-hydroxyphenethyl)-18-((1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl)-1,5,12,19-tetramethyl-2-methylene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptaazacyclopentacosane-11,22-dicarboxylic acid
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-8-[2-(4-hydroxyphenyl)ethyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C53H74N10O13
+CH$EXACT_MASS: 1058.543682
+CH$SMILES: O=C(N(C)C(C(N[C@H](C)C1=O)=O)=C)CC[C@H](C(O)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CCCNC(N)=N)NC([C@@H](C)[C@H](C(O)=O)NC([C@@H](N1)CCC3=CC=C(O)C=C3)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C53H74N10O13/c1-29(27-30(2)42(76-8)28-36-13-10-9-11-14-36)16-22-38-31(3)45(66)61-41(51(72)73)24-25-43(65)63(7)34(6)48(69)57-33(5)47(68)60-40(23-19-35-17-20-37(64)21-18-35)50(71)62-44(52(74)75)32(4)46(67)59-39(49(70)58-38)15-12-26-56-53(54)55/h9-11,13-14,16-18,20-22,27,30-33,38-42,44,64H,6,12,15,19,23-26,28H2,1-5,7-8H3,(H,57,69)(H,58,70)(H,59,67)(H,60,68)(H,61,66)(H,62,71)(H,72,73)(H,74,75)(H4,54,55,56)/b22-16+,29-27+/t30-,31-,32-,33+,38-,39-,40-,41+,42-,44+/m0/s1
+CH$LINK: PUBCHEM CID:15160480
+CH$LINK: INCHIKEY YQFCSOPLXLDHPK-CWXGWYCISA-N
+CH$LINK: CHEMSPIDER 95636783
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 110-1102
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.934 min
+MS$FOCUSED_ION: BASE_PEAK 858.4379
+MS$FOCUSED_ION: PRECURSOR_M/Z 1059.551
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0a4i-9000000000-f0ef631fd1d312fb95c8
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  1059.548 C53H75N10O13+ 1 1059.551 -2.77
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  1059.548 16204358 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED201502.txt b/Eawag/MSBNK-EAWAG-ED201502.txt
new file mode 100644
index 0000000000..c2b8ef59bb
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED201502.txt
@@ -0,0 +1,45 @@
+ACCESSION: MSBNK-EAWAG-ED201502
+RECORD_TITLE: MC-HtyR; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 3
+COMMENT: CyanoMetDB_ID 2015
+CH$NAME: MC-HtyR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-(3-guanidinopropyl)-8-(4-hydroxyphenethyl)-18-((1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl)-1,5,12,19-tetramethyl-2-methylene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptaazacyclopentacosane-11,22-dicarboxylic acid
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-8-[2-(4-hydroxyphenyl)ethyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C53H74N10O13
+CH$EXACT_MASS: 1058.543682
+CH$SMILES: O=C(N(C)C(C(N[C@H](C)C1=O)=O)=C)CC[C@H](C(O)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CCCNC(N)=N)NC([C@@H](C)[C@H](C(O)=O)NC([C@@H](N1)CCC3=CC=C(O)C=C3)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C53H74N10O13/c1-29(27-30(2)42(76-8)28-36-13-10-9-11-14-36)16-22-38-31(3)45(66)61-41(51(72)73)24-25-43(65)63(7)34(6)48(69)57-33(5)47(68)60-40(23-19-35-17-20-37(64)21-18-35)50(71)62-44(52(74)75)32(4)46(67)59-39(49(70)58-38)15-12-26-56-53(54)55/h9-11,13-14,16-18,20-22,27,30-33,38-42,44,64H,6,12,15,19,23-26,28H2,1-5,7-8H3,(H,57,69)(H,58,70)(H,59,67)(H,60,68)(H,61,66)(H,62,71)(H,72,73)(H,74,75)(H4,54,55,56)/b22-16+,29-27+/t30-,31-,32-,33+,38-,39-,40-,41+,42-,44+/m0/s1
+CH$LINK: PUBCHEM CID:15160480
+CH$LINK: INCHIKEY YQFCSOPLXLDHPK-CWXGWYCISA-N
+CH$LINK: CHEMSPIDER 95636783
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 110-1102
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.934 min
+MS$FOCUSED_ION: BASE_PEAK 858.4379
+MS$FOCUSED_ION: PRECURSOR_M/Z 1059.551
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0a4i-9000000000-65bf152456e2c049a13e
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  1059.5492 C53H75N10O13+ 1 1059.551 -1.62
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  1059.5492 16324927 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED201503.txt b/Eawag/MSBNK-EAWAG-ED201503.txt
new file mode 100644
index 0000000000..cb93f1b9fb
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED201503.txt
@@ -0,0 +1,47 @@
+ACCESSION: MSBNK-EAWAG-ED201503
+RECORD_TITLE: MC-HtyR; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 3
+COMMENT: CyanoMetDB_ID 2015
+CH$NAME: MC-HtyR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-(3-guanidinopropyl)-8-(4-hydroxyphenethyl)-18-((1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl)-1,5,12,19-tetramethyl-2-methylene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptaazacyclopentacosane-11,22-dicarboxylic acid
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-8-[2-(4-hydroxyphenyl)ethyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C53H74N10O13
+CH$EXACT_MASS: 1058.543682
+CH$SMILES: O=C(N(C)C(C(N[C@H](C)C1=O)=O)=C)CC[C@H](C(O)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CCCNC(N)=N)NC([C@@H](C)[C@H](C(O)=O)NC([C@@H](N1)CCC3=CC=C(O)C=C3)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C53H74N10O13/c1-29(27-30(2)42(76-8)28-36-13-10-9-11-14-36)16-22-38-31(3)45(66)61-41(51(72)73)24-25-43(65)63(7)34(6)48(69)57-33(5)47(68)60-40(23-19-35-17-20-37(64)21-18-35)50(71)62-44(52(74)75)32(4)46(67)59-39(49(70)58-38)15-12-26-56-53(54)55/h9-11,13-14,16-18,20-22,27,30-33,38-42,44,64H,6,12,15,19,23-26,28H2,1-5,7-8H3,(H,57,69)(H,58,70)(H,59,67)(H,60,68)(H,61,66)(H,62,71)(H,72,73)(H,74,75)(H4,54,55,56)/b22-16+,29-27+/t30-,31-,32-,33+,38-,39-,40-,41+,42-,44+/m0/s1
+CH$LINK: PUBCHEM CID:15160480
+CH$LINK: INCHIKEY YQFCSOPLXLDHPK-CWXGWYCISA-N
+CH$LINK: CHEMSPIDER 95636783
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 110-1102
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.934 min
+MS$FOCUSED_ION: BASE_PEAK 858.4379
+MS$FOCUSED_ION: PRECURSOR_M/Z 1059.551
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0a4i-9000000000-5554d32102d47a0fab9c
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  1031.5552 C52H75N10O12+ 1 1031.556 -0.81
+  1059.5494 C53H75N10O13+ 1 1059.551 -1.5
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  1031.5552 189384 13
+  1059.5494 14201713 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED201504.txt b/Eawag/MSBNK-EAWAG-ED201504.txt
new file mode 100644
index 0000000000..cecae8cc7e
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED201504.txt
@@ -0,0 +1,61 @@
+ACCESSION: MSBNK-EAWAG-ED201504
+RECORD_TITLE: MC-HtyR; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 3
+COMMENT: CyanoMetDB_ID 2015
+CH$NAME: MC-HtyR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-(3-guanidinopropyl)-8-(4-hydroxyphenethyl)-18-((1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl)-1,5,12,19-tetramethyl-2-methylene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptaazacyclopentacosane-11,22-dicarboxylic acid
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-8-[2-(4-hydroxyphenyl)ethyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C53H74N10O13
+CH$EXACT_MASS: 1058.543682
+CH$SMILES: O=C(N(C)C(C(N[C@H](C)C1=O)=O)=C)CC[C@H](C(O)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CCCNC(N)=N)NC([C@@H](C)[C@H](C(O)=O)NC([C@@H](N1)CCC3=CC=C(O)C=C3)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C53H74N10O13/c1-29(27-30(2)42(76-8)28-36-13-10-9-11-14-36)16-22-38-31(3)45(66)61-41(51(72)73)24-25-43(65)63(7)34(6)48(69)57-33(5)47(68)60-40(23-19-35-17-20-37(64)21-18-35)50(71)62-44(52(74)75)32(4)46(67)59-39(49(70)58-38)15-12-26-56-53(54)55/h9-11,13-14,16-18,20-22,27,30-33,38-42,44,64H,6,12,15,19,23-26,28H2,1-5,7-8H3,(H,57,69)(H,58,70)(H,59,67)(H,60,68)(H,61,66)(H,62,71)(H,72,73)(H,74,75)(H4,54,55,56)/b22-16+,29-27+/t30-,31-,32-,33+,38-,39-,40-,41+,42-,44+/m0/s1
+CH$LINK: PUBCHEM CID:15160480
+CH$LINK: INCHIKEY YQFCSOPLXLDHPK-CWXGWYCISA-N
+CH$LINK: CHEMSPIDER 95636783
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 110-1102
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.934 min
+MS$FOCUSED_ION: BASE_PEAK 858.4379
+MS$FOCUSED_ION: PRECURSOR_M/Z 1059.551
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0a4i-9000000000-26cae6e633dbd6f01420
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  135.0804 C9H11O+ 1 135.0804 -0.65
+  150.0909 C9H12NO+ 1 150.0913 -2.68
+  163.1116 C11H15O+ 1 163.1117 -0.97
+  174.1345 C6H16N5O+ 1 174.1349 -2.59
+  213.0862 C9H13N2O4+ 2 213.087 -3.56
+  285.1665 C10H25N2O7+ 3 285.1656 2.96
+  375.1913 C19H21N9+ 6 375.1914 -0.26
+  1031.5552 C52H75N10O12+ 1 1031.556 -0.81
+  1059.5499 C53H75N10O13+ 1 1059.551 -1.04
+PK$NUM_PEAK: 9
+PK$PEAK: m/z int. rel.int.
+  135.0804 182568.4 27
+  150.0909 117842.5 18
+  163.1116 93279.6 14
+  174.1345 126795.8 19
+  213.0862 141778.2 21
+  285.1665 104582.8 16
+  375.1913 222088.3 33
+  1031.5552 471537.1 72
+  1059.5499 6526237.5 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED201505.txt b/Eawag/MSBNK-EAWAG-ED201505.txt
new file mode 100644
index 0000000000..b72f60b479
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED201505.txt
@@ -0,0 +1,115 @@
+ACCESSION: MSBNK-EAWAG-ED201505
+RECORD_TITLE: MC-HtyR; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 3
+COMMENT: CyanoMetDB_ID 2015
+CH$NAME: MC-HtyR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-(3-guanidinopropyl)-8-(4-hydroxyphenethyl)-18-((1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl)-1,5,12,19-tetramethyl-2-methylene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptaazacyclopentacosane-11,22-dicarboxylic acid
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-8-[2-(4-hydroxyphenyl)ethyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C53H74N10O13
+CH$EXACT_MASS: 1058.543682
+CH$SMILES: O=C(N(C)C(C(N[C@H](C)C1=O)=O)=C)CC[C@H](C(O)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CCCNC(N)=N)NC([C@@H](C)[C@H](C(O)=O)NC([C@@H](N1)CCC3=CC=C(O)C=C3)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C53H74N10O13/c1-29(27-30(2)42(76-8)28-36-13-10-9-11-14-36)16-22-38-31(3)45(66)61-41(51(72)73)24-25-43(65)63(7)34(6)48(69)57-33(5)47(68)60-40(23-19-35-17-20-37(64)21-18-35)50(71)62-44(52(74)75)32(4)46(67)59-39(49(70)58-38)15-12-26-56-53(54)55/h9-11,13-14,16-18,20-22,27,30-33,38-42,44,64H,6,12,15,19,23-26,28H2,1-5,7-8H3,(H,57,69)(H,58,70)(H,59,67)(H,60,68)(H,61,66)(H,62,71)(H,72,73)(H,74,75)(H4,54,55,56)/b22-16+,29-27+/t30-,31-,32-,33+,38-,39-,40-,41+,42-,44+/m0/s1
+CH$LINK: PUBCHEM CID:15160480
+CH$LINK: INCHIKEY YQFCSOPLXLDHPK-CWXGWYCISA-N
+CH$LINK: CHEMSPIDER 95636783
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 110-1102
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.934 min
+MS$FOCUSED_ION: BASE_PEAK 858.4379
+MS$FOCUSED_ION: PRECURSOR_M/Z 1059.551
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0gw0-0920000000-870a8beb70f7c0a0c60b
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  112.0866 C5H10N3+ 1 112.0869 -2.46
+  114.1027 C5H12N3+ 1 114.1026 1.07
+  115.0865 C5H11N2O+ 1 115.0866 -0.88
+  117.0697 C9H9+ 1 117.0699 -1.09
+  124.1118 C8H14N+ 1 124.1121 -1.99
+  127.0862 C6H11N2O+ 1 127.0866 -2.75
+  130.0493 C5H8NO3+ 1 130.0499 -4.41
+  131.0856 C10H11+ 1 131.0855 0.64
+  133.0645 C9H9O+ 1 133.0648 -2.51
+  135.0801 C9H11O+ 1 135.0804 -2.35
+  135.1163 C10H15+ 1 135.1168 -3.76
+  138.0545 C7H8NO2+ 1 138.055 -3.63
+  139.0976 C6H11N4+ 1 139.0978 -1.91
+  140.0818 C6H10N3O+ 1 140.0818 -0.11
+  150.0909 C9H12NO+ 1 150.0913 -2.78
+  155.081 C7H11N2O2+ 1 155.0815 -3.52
+  156.1239 C6H14N5+ 1 156.1244 -2.74
+  157.108 C6H13N4O+ 1 157.1084 -2.18
+  158.0924 C6H12N3O2+ 1 158.0924 -0.17
+  161.0956 C11H13O+ 1 161.0961 -3.18
+  163.1113 C11H15O+ 1 163.1117 -2.56
+  167.0811 C8H11N2O2+ 1 167.0815 -2.33
+  174.1345 C6H16N5O+ 1 174.1349 -2.59
+  175.1188 C6H15N4O2+ 1 175.119 -0.9
+  182.1033 C7H12N5O+ 1 182.1036 -1.72
+  183.0873 C7H11N4O2+ 1 183.0877 -1.87
+  195.0757 C9H11N2O3+ 2 195.0764 -3.56
+  200.1134 C6H18NO6+ 3 200.1129 2.79
+  201.097 C6H17O7+ 2 201.0969 0.81
+  213.0862 C9H13N2O4+ 2 213.087 -3.77
+  223.1179 C9H19O6+ 3 223.1176 1.44
+  226.1177 C8H14N6O2+ 2 226.1173 1.67
+  237.1624 C2H21N8O5+ 3 237.1629 -2.13
+  239.0652 C8H9N5O4+ 3 239.0649 1.35
+  285.1661 C10H25N2O7+ 3 285.1656 1.78
+  375.1911 C19H21N9+ 6 375.1914 -0.99
+PK$NUM_PEAK: 36
+PK$PEAK: m/z int. rel.int.
+  112.0866 184539.3 210
+  114.1027 26227.2 29
+  115.0865 81144.5 92
+  117.0697 41057.8 46
+  124.1118 25735.9 29
+  127.0862 298167 339
+  130.0493 15136.3 17
+  131.0856 23928.3 27
+  133.0645 25753.2 29
+  135.0801 877695.5 999
+  135.1163 317437.6 361
+  138.0545 47515.9 54
+  139.0976 21478.2 24
+  140.0818 54142.6 61
+  150.0909 391524.2 445
+  155.081 276820.8 315
+  156.1239 62278.7 70
+  157.108 186470.6 212
+  158.0924 35580.7 40
+  161.0956 29493.5 33
+  163.1113 253055.9 288
+  167.0811 56778 64
+  174.1345 197366.5 224
+  175.1188 37161 42
+  182.1033 32650.9 37
+  183.0873 39133.6 44
+  195.0757 73677.3 83
+  200.1134 218192.1 248
+  201.097 53873.5 61
+  213.0862 440252.7 501
+  223.1179 44972.3 51
+  226.1177 78563.7 89
+  237.1624 41148.4 46
+  239.0652 72698.9 82
+  285.1661 114036.5 129
+  375.1911 146036.1 166
+//
diff --git a/Eawag/MSBNK-EAWAG-ED201506.txt b/Eawag/MSBNK-EAWAG-ED201506.txt
new file mode 100644
index 0000000000..2a01b86a1e
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED201506.txt
@@ -0,0 +1,115 @@
+ACCESSION: MSBNK-EAWAG-ED201506
+RECORD_TITLE: MC-HtyR; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 3
+COMMENT: CyanoMetDB_ID 2015
+CH$NAME: MC-HtyR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-(3-guanidinopropyl)-8-(4-hydroxyphenethyl)-18-((1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl)-1,5,12,19-tetramethyl-2-methylene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptaazacyclopentacosane-11,22-dicarboxylic acid
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-8-[2-(4-hydroxyphenyl)ethyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C53H74N10O13
+CH$EXACT_MASS: 1058.543682
+CH$SMILES: O=C(N(C)C(C(N[C@H](C)C1=O)=O)=C)CC[C@H](C(O)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CCCNC(N)=N)NC([C@@H](C)[C@H](C(O)=O)NC([C@@H](N1)CCC3=CC=C(O)C=C3)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C53H74N10O13/c1-29(27-30(2)42(76-8)28-36-13-10-9-11-14-36)16-22-38-31(3)45(66)61-41(51(72)73)24-25-43(65)63(7)34(6)48(69)57-33(5)47(68)60-40(23-19-35-17-20-37(64)21-18-35)50(71)62-44(52(74)75)32(4)46(67)59-39(49(70)58-38)15-12-26-56-53(54)55/h9-11,13-14,16-18,20-22,27,30-33,38-42,44,64H,6,12,15,19,23-26,28H2,1-5,7-8H3,(H,57,69)(H,58,70)(H,59,67)(H,60,68)(H,61,66)(H,62,71)(H,72,73)(H,74,75)(H4,54,55,56)/b22-16+,29-27+/t30-,31-,32-,33+,38-,39-,40-,41+,42-,44+/m0/s1
+CH$LINK: PUBCHEM CID:15160480
+CH$LINK: INCHIKEY YQFCSOPLXLDHPK-CWXGWYCISA-N
+CH$LINK: CHEMSPIDER 95636783
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 110-1102
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.934 min
+MS$FOCUSED_ION: BASE_PEAK 858.4379
+MS$FOCUSED_ION: PRECURSOR_M/Z 1059.551
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-000i-0910000000-f5124661518f30e0f843
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  112.0867 C5H10N3+ 1 112.0869 -1.71
+  113.0706 C5H9N2O+ 1 113.0709 -2.85
+  114.1022 C5H12N3+ 1 114.1026 -3.27
+  115.054 C9H7+ 1 115.0542 -1.55
+  115.0863 C5H11N2O+ 1 115.0866 -2.6
+  117.0697 C9H9+ 1 117.0699 -1.48
+  120.0808 C8H10N+ 1 120.0808 0.4
+  124.1122 C8H14N+ 1 124.1121 1.2
+  127.0863 C6H11N2O+ 1 127.0866 -1.91
+  130.05 C5H8NO3+ 1 130.0499 0.64
+  130.0972 C5H12N3O+ 1 130.0975 -2.03
+  131.0852 C10H11+ 1 131.0855 -2.39
+  133.0646 C9H9O+ 1 133.0648 -1.13
+  135.0802 C9H11O+ 1 135.0804 -1.78
+  135.1163 C10H15+ 1 135.1168 -3.99
+  139.0978 C6H11N4+ 1 139.0978 -0.48
+  140.0814 C6H10N3O+ 1 140.0818 -2.95
+  141.0655 C6H9N2O2+ 1 141.0659 -2.45
+  143.0852 C11H11+ 1 143.0855 -2.61
+  145.1014 C11H13+ 1 145.1012 1.2
+  149.0708 C8H9N2O+ 1 149.0709 -1.07
+  150.091 C9H12NO+ 1 150.0913 -1.97
+  155.081 C7H11N2O2+ 1 155.0815 -3.32
+  157.1079 C6H13N4O+ 1 157.1084 -2.96
+  158.0921 C6H12N3O2+ 1 158.0924 -1.72
+  163.1115 C11H15O+ 1 163.1117 -1.72
+  167.0812 C8H11N2O2+ 1 167.0815 -1.69
+  174.1351 C6H16N5O+ 1 174.1349 1.18
+  175.1183 C6H15N4O2+ 3 175.119 -3.78
+  182.1038 C7H12N5O+ 1 182.1036 1.04
+  183.0872 C7H11N4O2+ 3 183.0877 -2.62
+  200.1136 C6H18NO6+ 3 200.1129 3.48
+  213.0863 C9H13N2O4+ 2 213.087 -3.27
+  223.1178 C9H19O6+ 2 223.1176 0.97
+  225.1342 C10H17N4O2+ 3 225.1346 -1.78
+  226.1177 C8H14N6O2+ 2 226.1173 1.67
+PK$NUM_PEAK: 36
+PK$PEAK: m/z int. rel.int.
+  112.0867 206281.4 224
+  113.0706 58010.6 63
+  114.1022 43487 47
+  115.054 45446.3 49
+  115.0863 138198.5 150
+  117.0697 132505.6 144
+  120.0808 30736.8 33
+  124.1122 25021.5 27
+  127.0863 533151.5 580
+  130.05 25393.7 27
+  130.0972 9604.5 10
+  131.0852 36035.2 39
+  133.0646 37778.8 41
+  135.0802 917755.8 999
+  135.1163 292184 318
+  139.0978 22452.1 24
+  140.0814 73431.7 79
+  141.0655 80842 87
+  143.0852 18257 19
+  145.1014 31387.5 34
+  149.0708 12663.9 13
+  150.091 242098.1 263
+  155.081 211028.1 229
+  157.1079 110169.1 119
+  158.0921 41519.2 45
+  163.1115 132018.6 143
+  167.0812 125318.2 136
+  174.1351 69833.6 76
+  175.1183 20566.1 22
+  182.1038 29945.4 32
+  183.0872 55182.5 60
+  200.1136 174202.2 189
+  213.0863 283402.6 308
+  223.1178 29092.7 31
+  225.1342 28535.4 31
+  226.1177 64213.1 69
+//
diff --git a/Eawag/MSBNK-EAWAG-ED201507.txt b/Eawag/MSBNK-EAWAG-ED201507.txt
new file mode 100644
index 0000000000..06eedc1627
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED201507.txt
@@ -0,0 +1,101 @@
+ACCESSION: MSBNK-EAWAG-ED201507
+RECORD_TITLE: MC-HtyR; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 3
+COMMENT: CyanoMetDB_ID 2015
+CH$NAME: MC-HtyR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-(3-guanidinopropyl)-8-(4-hydroxyphenethyl)-18-((1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl)-1,5,12,19-tetramethyl-2-methylene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptaazacyclopentacosane-11,22-dicarboxylic acid
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-8-[2-(4-hydroxyphenyl)ethyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C53H74N10O13
+CH$EXACT_MASS: 1058.543682
+CH$SMILES: O=C(N(C)C(C(N[C@H](C)C1=O)=O)=C)CC[C@H](C(O)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CCCNC(N)=N)NC([C@@H](C)[C@H](C(O)=O)NC([C@@H](N1)CCC3=CC=C(O)C=C3)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C53H74N10O13/c1-29(27-30(2)42(76-8)28-36-13-10-9-11-14-36)16-22-38-31(3)45(66)61-41(51(72)73)24-25-43(65)63(7)34(6)48(69)57-33(5)47(68)60-40(23-19-35-17-20-37(64)21-18-35)50(71)62-44(52(74)75)32(4)46(67)59-39(49(70)58-38)15-12-26-56-53(54)55/h9-11,13-14,16-18,20-22,27,30-33,38-42,44,64H,6,12,15,19,23-26,28H2,1-5,7-8H3,(H,57,69)(H,58,70)(H,59,67)(H,60,68)(H,61,66)(H,62,71)(H,72,73)(H,74,75)(H4,54,55,56)/b22-16+,29-27+/t30-,31-,32-,33+,38-,39-,40-,41+,42-,44+/m0/s1
+CH$LINK: PUBCHEM CID:15160480
+CH$LINK: INCHIKEY YQFCSOPLXLDHPK-CWXGWYCISA-N
+CH$LINK: CHEMSPIDER 95636783
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 110-1102
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.934 min
+MS$FOCUSED_ION: BASE_PEAK 858.4379
+MS$FOCUSED_ION: PRECURSOR_M/Z 1059.551
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-002r-0900000000-5468c88842a77e4f327f
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  112.0868 C5H10N3+ 1 112.0869 -1.51
+  113.071 C5H9N2O+ 1 113.0709 0.25
+  114.1027 C5H12N3+ 1 114.1026 0.67
+  115.0538 C9H7+ 1 115.0542 -3.8
+  115.0865 C5H11N2O+ 1 115.0866 -1.21
+  117.0696 C9H9+ 1 117.0699 -2.72
+  119.0855 C9H11+ 1 119.0855 -0.29
+  120.0806 C8H10N+ 1 120.0808 -1.38
+  124.1122 C8H14N+ 1 124.1121 1.2
+  127.0862 C6H11N2O+ 1 127.0866 -2.69
+  130.05 C5H8NO3+ 1 130.0499 1.22
+  131.0854 C10H11+ 1 131.0855 -0.64
+  133.0645 C9H9O+ 1 133.0648 -2.05
+  135.0801 C9H11O+ 1 135.0804 -2.46
+  135.1163 C10H15+ 1 135.1168 -3.76
+  138.0545 C7H8NO2+ 1 138.055 -3.41
+  140.0817 C6H10N3O+ 1 140.0818 -1.31
+  141.0654 C6H9N2O2+ 1 141.0659 -2.99
+  145.1014 C11H13+ 1 145.1012 1.2
+  149.0706 C8H9N2O+ 1 149.0709 -2.3
+  150.0912 C9H12NO+ 1 150.0913 -1.16
+  155.081 C7H11N2O2+ 1 155.0815 -3.32
+  158.0928 C6H12N3O2+ 1 158.0924 2.43
+  163.1116 C11H15O+ 1 163.1117 -0.88
+  167.0811 C8H11N2O2+ 1 167.0815 -2.6
+  182.1034 C7H12N5O+ 1 182.1036 -1.22
+  183.0871 C7H11N4O2+ 3 183.0877 -3.12
+  195.0757 C9H11N2O3+ 2 195.0764 -3.56
+  213.0862 C9H13N2O4+ 2 213.087 -3.56
+PK$NUM_PEAK: 29
+PK$PEAK: m/z int. rel.int.
+  112.0868 175191 280
+  113.071 27938.3 44
+  114.1027 36838.9 59
+  115.0538 88528.2 141
+  115.0865 110970.1 177
+  117.0696 170814.8 273
+  119.0855 19567.9 31
+  120.0806 30698.6 49
+  124.1122 19131.1 30
+  127.0862 493910.4 791
+  130.05 36744.5 58
+  131.0854 33802.9 54
+  133.0645 33467.7 53
+  135.0801 623306 999
+  135.1163 216655.3 347
+  138.0545 45005.9 72
+  140.0817 57020.1 91
+  141.0654 114180.3 183
+  145.1014 26166.9 41
+  149.0706 26936.3 43
+  150.0912 87736.1 140
+  155.081 94889.3 152
+  158.0928 29192.3 46
+  163.1116 50719.7 81
+  167.0811 134719.8 215
+  182.1034 30099.1 48
+  183.0871 31620.9 50
+  195.0757 64135.4 102
+  213.0862 128098.2 205
+//
diff --git a/Eawag/MSBNK-EAWAG-ED201551.txt b/Eawag/MSBNK-EAWAG-ED201551.txt
new file mode 100644
index 0000000000..82c75eaa08
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED201551.txt
@@ -0,0 +1,47 @@
+ACCESSION: MSBNK-EAWAG-ED201551
+RECORD_TITLE: MC-HtyR; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 3
+COMMENT: CyanoMetDB_ID 2015
+CH$NAME: MC-HtyR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-(3-guanidinopropyl)-8-(4-hydroxyphenethyl)-18-((1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl)-1,5,12,19-tetramethyl-2-methylene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptaazacyclopentacosane-11,22-dicarboxylic acid
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-8-[2-(4-hydroxyphenyl)ethyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C53H74N10O13
+CH$EXACT_MASS: 1058.543682
+CH$SMILES: O=C(N(C)C(C(N[C@H](C)C1=O)=O)=C)CC[C@H](C(O)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CCCNC(N)=N)NC([C@@H](C)[C@H](C(O)=O)NC([C@@H](N1)CCC3=CC=C(O)C=C3)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C53H74N10O13/c1-29(27-30(2)42(76-8)28-36-13-10-9-11-14-36)16-22-38-31(3)45(66)61-41(51(72)73)24-25-43(65)63(7)34(6)48(69)57-33(5)47(68)60-40(23-19-35-17-20-37(64)21-18-35)50(71)62-44(52(74)75)32(4)46(67)59-39(49(70)58-38)15-12-26-56-53(54)55/h9-11,13-14,16-18,20-22,27,30-33,38-42,44,64H,6,12,15,19,23-26,28H2,1-5,7-8H3,(H,57,69)(H,58,70)(H,59,67)(H,60,68)(H,61,66)(H,62,71)(H,72,73)(H,74,75)(H4,54,55,56)/b22-16+,29-27+/t30-,31-,32-,33+,38-,39-,40-,41+,42-,44+/m0/s1
+CH$LINK: PUBCHEM CID:15160480
+CH$LINK: INCHIKEY YQFCSOPLXLDHPK-CWXGWYCISA-N
+CH$LINK: CHEMSPIDER 95636783
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 109-1100
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.947 min
+MS$FOCUSED_ION: BASE_PEAK 856.4259
+MS$FOCUSED_ION: PRECURSOR_M/Z 1057.5364
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0a4i-9000000000-d823070f533826a296fb
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  1039.5272 C53H71N10O12- 1 1039.5258 1.29
+  1057.5368 C53H73N10O13- 1 1057.5364 0.42
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  1039.5272 87912.7 12
+  1057.5368 7215801 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED201552.txt b/Eawag/MSBNK-EAWAG-ED201552.txt
new file mode 100644
index 0000000000..6ab6182acb
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED201552.txt
@@ -0,0 +1,47 @@
+ACCESSION: MSBNK-EAWAG-ED201552
+RECORD_TITLE: MC-HtyR; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 3
+COMMENT: CyanoMetDB_ID 2015
+CH$NAME: MC-HtyR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-(3-guanidinopropyl)-8-(4-hydroxyphenethyl)-18-((1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl)-1,5,12,19-tetramethyl-2-methylene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptaazacyclopentacosane-11,22-dicarboxylic acid
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-8-[2-(4-hydroxyphenyl)ethyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C53H74N10O13
+CH$EXACT_MASS: 1058.543682
+CH$SMILES: O=C(N(C)C(C(N[C@H](C)C1=O)=O)=C)CC[C@H](C(O)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CCCNC(N)=N)NC([C@@H](C)[C@H](C(O)=O)NC([C@@H](N1)CCC3=CC=C(O)C=C3)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C53H74N10O13/c1-29(27-30(2)42(76-8)28-36-13-10-9-11-14-36)16-22-38-31(3)45(66)61-41(51(72)73)24-25-43(65)63(7)34(6)48(69)57-33(5)47(68)60-40(23-19-35-17-20-37(64)21-18-35)50(71)62-44(52(74)75)32(4)46(67)59-39(49(70)58-38)15-12-26-56-53(54)55/h9-11,13-14,16-18,20-22,27,30-33,38-42,44,64H,6,12,15,19,23-26,28H2,1-5,7-8H3,(H,57,69)(H,58,70)(H,59,67)(H,60,68)(H,61,66)(H,62,71)(H,72,73)(H,74,75)(H4,54,55,56)/b22-16+,29-27+/t30-,31-,32-,33+,38-,39-,40-,41+,42-,44+/m0/s1
+CH$LINK: PUBCHEM CID:15160480
+CH$LINK: INCHIKEY YQFCSOPLXLDHPK-CWXGWYCISA-N
+CH$LINK: CHEMSPIDER 95636783
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 109-1100
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.947 min
+MS$FOCUSED_ION: BASE_PEAK 856.4259
+MS$FOCUSED_ION: PRECURSOR_M/Z 1057.5364
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0a4i-9000000000-d6597813fa2b73fb74a5
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  1039.5267 C53H71N10O12- 1 1039.5258 0.82
+  1057.5372 C53H73N10O13- 1 1057.5364 0.76
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  1039.5267 855967.4 138
+  1057.5372 6189408 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED201553.txt b/Eawag/MSBNK-EAWAG-ED201553.txt
new file mode 100644
index 0000000000..5f94484b07
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED201553.txt
@@ -0,0 +1,47 @@
+ACCESSION: MSBNK-EAWAG-ED201553
+RECORD_TITLE: MC-HtyR; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 3
+COMMENT: CyanoMetDB_ID 2015
+CH$NAME: MC-HtyR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-(3-guanidinopropyl)-8-(4-hydroxyphenethyl)-18-((1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl)-1,5,12,19-tetramethyl-2-methylene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptaazacyclopentacosane-11,22-dicarboxylic acid
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-8-[2-(4-hydroxyphenyl)ethyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C53H74N10O13
+CH$EXACT_MASS: 1058.543682
+CH$SMILES: O=C(N(C)C(C(N[C@H](C)C1=O)=O)=C)CC[C@H](C(O)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CCCNC(N)=N)NC([C@@H](C)[C@H](C(O)=O)NC([C@@H](N1)CCC3=CC=C(O)C=C3)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C53H74N10O13/c1-29(27-30(2)42(76-8)28-36-13-10-9-11-14-36)16-22-38-31(3)45(66)61-41(51(72)73)24-25-43(65)63(7)34(6)48(69)57-33(5)47(68)60-40(23-19-35-17-20-37(64)21-18-35)50(71)62-44(52(74)75)32(4)46(67)59-39(49(70)58-38)15-12-26-56-53(54)55/h9-11,13-14,16-18,20-22,27,30-33,38-42,44,64H,6,12,15,19,23-26,28H2,1-5,7-8H3,(H,57,69)(H,58,70)(H,59,67)(H,60,68)(H,61,66)(H,62,71)(H,72,73)(H,74,75)(H4,54,55,56)/b22-16+,29-27+/t30-,31-,32-,33+,38-,39-,40-,41+,42-,44+/m0/s1
+CH$LINK: PUBCHEM CID:15160480
+CH$LINK: INCHIKEY YQFCSOPLXLDHPK-CWXGWYCISA-N
+CH$LINK: CHEMSPIDER 95636783
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 109-1100
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.947 min
+MS$FOCUSED_ION: BASE_PEAK 856.4259
+MS$FOCUSED_ION: PRECURSOR_M/Z 1057.5364
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0a4r-9000000000-b879a56b9481428bca7e
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  1039.5263 C53H71N10O12- 1 1039.5258 0.47
+  1057.537 C53H73N10O13- 1 1057.5364 0.53
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  1039.5263 2872976 807
+  1057.537 3555187 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED201554.txt b/Eawag/MSBNK-EAWAG-ED201554.txt
new file mode 100644
index 0000000000..608901a3f3
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED201554.txt
@@ -0,0 +1,57 @@
+ACCESSION: MSBNK-EAWAG-ED201554
+RECORD_TITLE: MC-HtyR; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 3
+COMMENT: CyanoMetDB_ID 2015
+CH$NAME: MC-HtyR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-(3-guanidinopropyl)-8-(4-hydroxyphenethyl)-18-((1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl)-1,5,12,19-tetramethyl-2-methylene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptaazacyclopentacosane-11,22-dicarboxylic acid
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-8-[2-(4-hydroxyphenyl)ethyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C53H74N10O13
+CH$EXACT_MASS: 1058.543682
+CH$SMILES: O=C(N(C)C(C(N[C@H](C)C1=O)=O)=C)CC[C@H](C(O)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CCCNC(N)=N)NC([C@@H](C)[C@H](C(O)=O)NC([C@@H](N1)CCC3=CC=C(O)C=C3)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C53H74N10O13/c1-29(27-30(2)42(76-8)28-36-13-10-9-11-14-36)16-22-38-31(3)45(66)61-41(51(72)73)24-25-43(65)63(7)34(6)48(69)57-33(5)47(68)60-40(23-19-35-17-20-37(64)21-18-35)50(71)62-44(52(74)75)32(4)46(67)59-39(49(70)58-38)15-12-26-56-53(54)55/h9-11,13-14,16-18,20-22,27,30-33,38-42,44,64H,6,12,15,19,23-26,28H2,1-5,7-8H3,(H,57,69)(H,58,70)(H,59,67)(H,60,68)(H,61,66)(H,62,71)(H,72,73)(H,74,75)(H4,54,55,56)/b22-16+,29-27+/t30-,31-,32-,33+,38-,39-,40-,41+,42-,44+/m0/s1
+CH$LINK: PUBCHEM CID:15160480
+CH$LINK: INCHIKEY YQFCSOPLXLDHPK-CWXGWYCISA-N
+CH$LINK: CHEMSPIDER 95636783
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 109-1100
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.947 min
+MS$FOCUSED_ION: BASE_PEAK 856.4259
+MS$FOCUSED_ION: PRECURSOR_M/Z 1057.5364
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-000i-9000000000-a99d9f11e534965f1da2
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  128.0352 C5H6NO3- 1 128.0353 -0.69
+  347.1724 C17H23N4O4- 6 347.1725 -0.32
+  375.167 C18H23N4O5- 6 375.1674 -1.03
+  476.2149 C22H30N5O7- 8 476.2151 -0.27
+  945.5198 C53H69N8O8- 5 945.5244 -4.88
+  1039.5266 C53H71N10O12- 1 1039.5258 0.71
+  1057.537 C53H73N10O13- 1 1057.5364 0.53
+PK$NUM_PEAK: 7
+PK$PEAK: m/z int. rel.int.
+  128.0352 214302.2 59
+  347.1724 129043 35
+  375.167 54246.6 15
+  476.2149 37239.6 10
+  945.5198 124299.3 34
+  1039.5266 3586762 999
+  1057.537 740066 206
+//
diff --git a/Eawag/MSBNK-EAWAG-ED201555.txt b/Eawag/MSBNK-EAWAG-ED201555.txt
new file mode 100644
index 0000000000..e4f330330f
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED201555.txt
@@ -0,0 +1,59 @@
+ACCESSION: MSBNK-EAWAG-ED201555
+RECORD_TITLE: MC-HtyR; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 3
+COMMENT: CyanoMetDB_ID 2015
+CH$NAME: MC-HtyR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-(3-guanidinopropyl)-8-(4-hydroxyphenethyl)-18-((1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl)-1,5,12,19-tetramethyl-2-methylene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptaazacyclopentacosane-11,22-dicarboxylic acid
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-8-[2-(4-hydroxyphenyl)ethyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C53H74N10O13
+CH$EXACT_MASS: 1058.543682
+CH$SMILES: O=C(N(C)C(C(N[C@H](C)C1=O)=O)=C)CC[C@H](C(O)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CCCNC(N)=N)NC([C@@H](C)[C@H](C(O)=O)NC([C@@H](N1)CCC3=CC=C(O)C=C3)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C53H74N10O13/c1-29(27-30(2)42(76-8)28-36-13-10-9-11-14-36)16-22-38-31(3)45(66)61-41(51(72)73)24-25-43(65)63(7)34(6)48(69)57-33(5)47(68)60-40(23-19-35-17-20-37(64)21-18-35)50(71)62-44(52(74)75)32(4)46(67)59-39(49(70)58-38)15-12-26-56-53(54)55/h9-11,13-14,16-18,20-22,27,30-33,38-42,44,64H,6,12,15,19,23-26,28H2,1-5,7-8H3,(H,57,69)(H,58,70)(H,59,67)(H,60,68)(H,61,66)(H,62,71)(H,72,73)(H,74,75)(H4,54,55,56)/b22-16+,29-27+/t30-,31-,32-,33+,38-,39-,40-,41+,42-,44+/m0/s1
+CH$LINK: PUBCHEM CID:15160480
+CH$LINK: INCHIKEY YQFCSOPLXLDHPK-CWXGWYCISA-N
+CH$LINK: CHEMSPIDER 95636783
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 109-1100
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.947 min
+MS$FOCUSED_ION: BASE_PEAK 856.4259
+MS$FOCUSED_ION: PRECURSOR_M/Z 1057.5364
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-004i-1913000000-ea246628a65980af9449
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  110.025 C5H4NO2- 1 110.0248 2.48
+  123.0563 C6H7N2O- 1 123.0564 -0.48
+  128.0352 C5H6NO3- 1 128.0353 -0.69
+  153.0666 C7H9N2O2- 1 153.067 -2.14
+  229.0976 C13H13N2O2- 2 229.0983 -2.83
+  264.1349 C11H16N6O2- 2 264.134 3.3
+  347.1719 C17H23N4O4- 5 347.1725 -1.72
+  1039.5262 C53H71N10O12- 1 1039.5258 0.35
+PK$NUM_PEAK: 8
+PK$PEAK: m/z int. rel.int.
+  110.025 53227.5 73
+  123.0563 96339.4 133
+  128.0352 723267.4 999
+  153.0666 58281.5 80
+  229.0976 37814.7 52
+  264.1349 122134.6 168
+  347.1719 320596.4 442
+  1039.5262 122297.9 168
+//
diff --git a/Eawag/MSBNK-EAWAG-ED201556.txt b/Eawag/MSBNK-EAWAG-ED201556.txt
new file mode 100644
index 0000000000..2f756c7386
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED201556.txt
@@ -0,0 +1,79 @@
+ACCESSION: MSBNK-EAWAG-ED201556
+RECORD_TITLE: MC-HtyR; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: Level 3
+COMMENT: CyanoMetDB_ID 2015
+CH$NAME: MC-HtyR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-(3-guanidinopropyl)-8-(4-hydroxyphenethyl)-18-((1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl)-1,5,12,19-tetramethyl-2-methylene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptaazacyclopentacosane-11,22-dicarboxylic acid
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-8-[2-(4-hydroxyphenyl)ethyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C53H74N10O13
+CH$EXACT_MASS: 1058.543682
+CH$SMILES: O=C(N(C)C(C(N[C@H](C)C1=O)=O)=C)CC[C@H](C(O)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CCCNC(N)=N)NC([C@@H](C)[C@H](C(O)=O)NC([C@@H](N1)CCC3=CC=C(O)C=C3)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C53H74N10O13/c1-29(27-30(2)42(76-8)28-36-13-10-9-11-14-36)16-22-38-31(3)45(66)61-41(51(72)73)24-25-43(65)63(7)34(6)48(69)57-33(5)47(68)60-40(23-19-35-17-20-37(64)21-18-35)50(71)62-44(52(74)75)32(4)46(67)59-39(49(70)58-38)15-12-26-56-53(54)55/h9-11,13-14,16-18,20-22,27,30-33,38-42,44,64H,6,12,15,19,23-26,28H2,1-5,7-8H3,(H,57,69)(H,58,70)(H,59,67)(H,60,68)(H,61,66)(H,62,71)(H,72,73)(H,74,75)(H4,54,55,56)/b22-16+,29-27+/t30-,31-,32-,33+,38-,39-,40-,41+,42-,44+/m0/s1
+CH$LINK: PUBCHEM CID:15160480
+CH$LINK: INCHIKEY YQFCSOPLXLDHPK-CWXGWYCISA-N
+CH$LINK: CHEMSPIDER 95636783
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 109-1100
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.947 min
+MS$FOCUSED_ION: BASE_PEAK 856.4259
+MS$FOCUSED_ION: PRECURSOR_M/Z 1057.5364
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-004i-0911000000-cb24615b4b4694e0ddfc
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  110.0247 C5H4NO2- 1 110.0248 -0.71
+  112.0407 C5H6NO2- 1 112.0404 2.26
+  119.0504 C8H7O- 1 119.0502 1.15
+  123.0563 C6H7N2O- 1 123.0564 -0.67
+  124.0405 C6H6NO2- 1 124.0404 0.57
+  128.0352 C5H6NO3- 1 128.0353 -0.69
+  131.0865 C10H11- 1 131.0866 -1.11
+  144.078 C5H10N3O2- 1 144.0779 0.91
+  153.0668 C7H9N2O2- 1 153.067 -1.14
+  167.0828 C8H11N2O2- 1 167.0826 1.46
+  181.0984 C9H13N2O2- 1 181.0983 1.05
+  193.0978 C10H13N2O2- 2 193.0983 -2.26
+  203.0823 C11H11N2O2- 1 203.0826 -1.53
+  219.0775 C11H11N2O3- 1 219.0775 0.07
+  229.0981 C13H13N2O2- 2 229.0983 -0.77
+  246.1242 C13H16N3O2- 3 246.1248 -2.44
+  264.1347 C11H16N6O2- 2 264.134 2.61
+  329.1615 C17H21N4O3- 5 329.1619 -1.16
+PK$NUM_PEAK: 18
+PK$PEAK: m/z int. rel.int.
+  110.0247 66706 144
+  112.0407 22276.6 48
+  119.0504 64657.5 139
+  123.0563 217596.1 470
+  124.0405 69877.9 151
+  128.0352 461943.7 999
+  131.0865 27498.7 59
+  144.078 22202.6 48
+  153.0668 74779.6 161
+  167.0828 24373.9 52
+  181.0984 23127.7 50
+  193.0978 97976.5 211
+  203.0823 21672.1 46
+  219.0775 25618.3 55
+  229.0981 34869.9 75
+  246.1242 61166.4 132
+  264.1347 103411 223
+  329.1615 140133 303
+//
diff --git a/Eawag/MSBNK-EAWAG-ED201601.txt b/Eawag/MSBNK-EAWAG-ED201601.txt
new file mode 100644
index 0000000000..03653c4a53
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED201601.txt
@@ -0,0 +1,46 @@
+ACCESSION: MSBNK-EAWAG-ED201601
+RECORD_TITLE: [D-Asp3,D-Glu(OMe)6]MC-HtyR (and isomers); LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.02.14
+AUTHORS: R. Natumi [dtc], E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1021/acs.est.1c04194
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 2016
+CH$NAME: [D-Asp3,D-Glu(OMe)6]MC-HtyR (and isomers)
+CH$NAME: [D-Asp3,D-MeO-Glu6]MC-HtyR
+CH$NAME: (5R,8S,11R,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-8-[2-(4-hydroxyphenyl)ethyl]-22-methoxycarbonyl-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,19-trimethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11-carboxylic acid
+CH$COMPOUND_CLASS: N/A
+CH$FORMULA: C53H74N10O13
+CH$EXACT_MASS: 1058.543682
+CH$SMILES: O=C(N(C)C(C(N[C@H](C)C1=O)=O)=C)CC[C@H](C(OC)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CCCNC(N)=N)NC(C[C@H](C(O)=O)NC([C@@H](N1)CCC3=CC=C(O)C=C3)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C53H74N10O13/c1-30(27-31(2)43(75-7)28-36-13-10-9-11-14-36)16-22-38-32(3)46(67)61-41(52(74)76-8)24-25-45(66)63(6)34(5)48(69)57-33(4)47(68)60-40(23-19-35-17-20-37(64)21-18-35)50(71)62-42(51(72)73)29-44(65)58-39(49(70)59-38)15-12-26-56-53(54)55/h9-11,13-14,16-18,20-22,27,31-33,38-43,64H,5,12,15,19,23-26,28-29H2,1-4,6-8H3,(H,57,69)(H,58,65)(H,59,70)(H,60,68)(H,61,67)(H,62,71)(H,72,73)(H4,54,55,56)/b22-16+,30-27+/t31-,32-,33+,38-,39-,40-,41+,42+,43-/m0/s1
+CH$LINK: CHEBI 220699
+CH$LINK: PUBCHEM CID:146684706
+CH$LINK: INCHIKEY QHVWVRZVAONQRC-IXKKHWRDSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 110-1102
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.934 min
+MS$FOCUSED_ION: BASE_PEAK 858.4379
+MS$FOCUSED_ION: PRECURSOR_M/Z 1059.551
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0a4i-9000000000-f0ef631fd1d312fb95c8
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  1059.548 C53H75N10O13+ 1 1059.551 -2.77
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  1059.548 16204358 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED201602.txt b/Eawag/MSBNK-EAWAG-ED201602.txt
new file mode 100644
index 0000000000..446bc6839f
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED201602.txt
@@ -0,0 +1,46 @@
+ACCESSION: MSBNK-EAWAG-ED201602
+RECORD_TITLE: [D-Asp3,D-Glu(OMe)6]MC-HtyR (and isomers); LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.02.14
+AUTHORS: R. Natumi [dtc], E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1021/acs.est.1c04194
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 2016
+CH$NAME: [D-Asp3,D-Glu(OMe)6]MC-HtyR (and isomers)
+CH$NAME: [D-Asp3,D-MeO-Glu6]MC-HtyR
+CH$NAME: (5R,8S,11R,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-8-[2-(4-hydroxyphenyl)ethyl]-22-methoxycarbonyl-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,19-trimethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11-carboxylic acid
+CH$COMPOUND_CLASS: N/A
+CH$FORMULA: C53H74N10O13
+CH$EXACT_MASS: 1058.543682
+CH$SMILES: O=C(N(C)C(C(N[C@H](C)C1=O)=O)=C)CC[C@H](C(OC)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CCCNC(N)=N)NC(C[C@H](C(O)=O)NC([C@@H](N1)CCC3=CC=C(O)C=C3)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C53H74N10O13/c1-30(27-31(2)43(75-7)28-36-13-10-9-11-14-36)16-22-38-32(3)46(67)61-41(52(74)76-8)24-25-45(66)63(6)34(5)48(69)57-33(4)47(68)60-40(23-19-35-17-20-37(64)21-18-35)50(71)62-42(51(72)73)29-44(65)58-39(49(70)59-38)15-12-26-56-53(54)55/h9-11,13-14,16-18,20-22,27,31-33,38-43,64H,5,12,15,19,23-26,28-29H2,1-4,6-8H3,(H,57,69)(H,58,65)(H,59,70)(H,60,68)(H,61,67)(H,62,71)(H,72,73)(H4,54,55,56)/b22-16+,30-27+/t31-,32-,33+,38-,39-,40-,41+,42+,43-/m0/s1
+CH$LINK: CHEBI 220699
+CH$LINK: PUBCHEM CID:146684706
+CH$LINK: INCHIKEY QHVWVRZVAONQRC-IXKKHWRDSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 110-1102
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.934 min
+MS$FOCUSED_ION: BASE_PEAK 858.4379
+MS$FOCUSED_ION: PRECURSOR_M/Z 1059.551
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0a4i-9000000000-65bf152456e2c049a13e
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  1059.5492 C53H75N10O13+ 1 1059.551 -1.62
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  1059.5492 16324927 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED201603.txt b/Eawag/MSBNK-EAWAG-ED201603.txt
new file mode 100644
index 0000000000..156acef064
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED201603.txt
@@ -0,0 +1,48 @@
+ACCESSION: MSBNK-EAWAG-ED201603
+RECORD_TITLE: [D-Asp3,D-Glu(OMe)6]MC-HtyR (and isomers); LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.02.14
+AUTHORS: R. Natumi [dtc], E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1021/acs.est.1c04194
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 2016
+CH$NAME: [D-Asp3,D-Glu(OMe)6]MC-HtyR (and isomers)
+CH$NAME: [D-Asp3,D-MeO-Glu6]MC-HtyR
+CH$NAME: (5R,8S,11R,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-8-[2-(4-hydroxyphenyl)ethyl]-22-methoxycarbonyl-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,19-trimethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11-carboxylic acid
+CH$COMPOUND_CLASS: N/A
+CH$FORMULA: C53H74N10O13
+CH$EXACT_MASS: 1058.543682
+CH$SMILES: O=C(N(C)C(C(N[C@H](C)C1=O)=O)=C)CC[C@H](C(OC)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CCCNC(N)=N)NC(C[C@H](C(O)=O)NC([C@@H](N1)CCC3=CC=C(O)C=C3)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C53H74N10O13/c1-30(27-31(2)43(75-7)28-36-13-10-9-11-14-36)16-22-38-32(3)46(67)61-41(52(74)76-8)24-25-45(66)63(6)34(5)48(69)57-33(4)47(68)60-40(23-19-35-17-20-37(64)21-18-35)50(71)62-42(51(72)73)29-44(65)58-39(49(70)59-38)15-12-26-56-53(54)55/h9-11,13-14,16-18,20-22,27,31-33,38-43,64H,5,12,15,19,23-26,28-29H2,1-4,6-8H3,(H,57,69)(H,58,65)(H,59,70)(H,60,68)(H,61,67)(H,62,71)(H,72,73)(H4,54,55,56)/b22-16+,30-27+/t31-,32-,33+,38-,39-,40-,41+,42+,43-/m0/s1
+CH$LINK: CHEBI 220699
+CH$LINK: PUBCHEM CID:146684706
+CH$LINK: INCHIKEY QHVWVRZVAONQRC-IXKKHWRDSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 110-1102
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.934 min
+MS$FOCUSED_ION: BASE_PEAK 858.4379
+MS$FOCUSED_ION: PRECURSOR_M/Z 1059.551
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0a4i-9000000000-5554d32102d47a0fab9c
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  1031.5552 C52H75N10O12+ 1 1031.556 -0.81
+  1059.5494 C53H75N10O13+ 1 1059.551 -1.51
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  1031.5552 189384 13
+  1059.5494 14201713 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED201604.txt b/Eawag/MSBNK-EAWAG-ED201604.txt
new file mode 100644
index 0000000000..2fa492fa4e
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED201604.txt
@@ -0,0 +1,62 @@
+ACCESSION: MSBNK-EAWAG-ED201604
+RECORD_TITLE: [D-Asp3,D-Glu(OMe)6]MC-HtyR (and isomers); LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.02.14
+AUTHORS: R. Natumi [dtc], E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1021/acs.est.1c04194
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 2016
+CH$NAME: [D-Asp3,D-Glu(OMe)6]MC-HtyR (and isomers)
+CH$NAME: [D-Asp3,D-MeO-Glu6]MC-HtyR
+CH$NAME: (5R,8S,11R,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-8-[2-(4-hydroxyphenyl)ethyl]-22-methoxycarbonyl-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,19-trimethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11-carboxylic acid
+CH$COMPOUND_CLASS: N/A
+CH$FORMULA: C53H74N10O13
+CH$EXACT_MASS: 1058.543682
+CH$SMILES: O=C(N(C)C(C(N[C@H](C)C1=O)=O)=C)CC[C@H](C(OC)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CCCNC(N)=N)NC(C[C@H](C(O)=O)NC([C@@H](N1)CCC3=CC=C(O)C=C3)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C53H74N10O13/c1-30(27-31(2)43(75-7)28-36-13-10-9-11-14-36)16-22-38-32(3)46(67)61-41(52(74)76-8)24-25-45(66)63(6)34(5)48(69)57-33(4)47(68)60-40(23-19-35-17-20-37(64)21-18-35)50(71)62-42(51(72)73)29-44(65)58-39(49(70)59-38)15-12-26-56-53(54)55/h9-11,13-14,16-18,20-22,27,31-33,38-43,64H,5,12,15,19,23-26,28-29H2,1-4,6-8H3,(H,57,69)(H,58,65)(H,59,70)(H,60,68)(H,61,67)(H,62,71)(H,72,73)(H4,54,55,56)/b22-16+,30-27+/t31-,32-,33+,38-,39-,40-,41+,42+,43-/m0/s1
+CH$LINK: CHEBI 220699
+CH$LINK: PUBCHEM CID:146684706
+CH$LINK: INCHIKEY QHVWVRZVAONQRC-IXKKHWRDSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 110-1102
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.934 min
+MS$FOCUSED_ION: BASE_PEAK 858.4379
+MS$FOCUSED_ION: PRECURSOR_M/Z 1059.551
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0a4i-9000000000-26cae6e633dbd6f01420
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  135.0804 C9H11O+ 1 135.0804 -0.57
+  150.0909 C9H12NO+ 1 150.0913 -2.67
+  163.1116 C11H15O+ 1 163.1117 -1.01
+  174.1345 C6H16N5O+ 1 174.1349 -2.6
+  213.0862 C9H13N2O4+ 2 213.087 -3.53
+  285.1665 C10H25N2O7+ 3 285.1656 2.96
+  375.1913 C19H21N9+ 6 375.1914 -0.26
+  1031.5552 C52H75N10O12+ 1 1031.556 -0.81
+  1059.5499 C53H75N10O13+ 1 1059.551 -1.05
+PK$NUM_PEAK: 9
+PK$PEAK: m/z int. rel.int.
+  135.0804 182568.4 27
+  150.0909 117842.5 18
+  163.1116 93279.6 14
+  174.1345 126795.8 19
+  213.0862 141778.2 21
+  285.1665 104582.8 16
+  375.1913 222088.3 33
+  1031.5552 471537.1 72
+  1059.5499 6526237.5 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED201605.txt b/Eawag/MSBNK-EAWAG-ED201605.txt
new file mode 100644
index 0000000000..53b5e02973
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED201605.txt
@@ -0,0 +1,116 @@
+ACCESSION: MSBNK-EAWAG-ED201605
+RECORD_TITLE: [D-Asp3,D-Glu(OMe)6]MC-HtyR (and isomers); LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.02.14
+AUTHORS: R. Natumi [dtc], E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1021/acs.est.1c04194
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 2016
+CH$NAME: [D-Asp3,D-Glu(OMe)6]MC-HtyR (and isomers)
+CH$NAME: [D-Asp3,D-MeO-Glu6]MC-HtyR
+CH$NAME: (5R,8S,11R,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-8-[2-(4-hydroxyphenyl)ethyl]-22-methoxycarbonyl-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,19-trimethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11-carboxylic acid
+CH$COMPOUND_CLASS: N/A
+CH$FORMULA: C53H74N10O13
+CH$EXACT_MASS: 1058.543682
+CH$SMILES: O=C(N(C)C(C(N[C@H](C)C1=O)=O)=C)CC[C@H](C(OC)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CCCNC(N)=N)NC(C[C@H](C(O)=O)NC([C@@H](N1)CCC3=CC=C(O)C=C3)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C53H74N10O13/c1-30(27-31(2)43(75-7)28-36-13-10-9-11-14-36)16-22-38-32(3)46(67)61-41(52(74)76-8)24-25-45(66)63(6)34(5)48(69)57-33(4)47(68)60-40(23-19-35-17-20-37(64)21-18-35)50(71)62-42(51(72)73)29-44(65)58-39(49(70)59-38)15-12-26-56-53(54)55/h9-11,13-14,16-18,20-22,27,31-33,38-43,64H,5,12,15,19,23-26,28-29H2,1-4,6-8H3,(H,57,69)(H,58,65)(H,59,70)(H,60,68)(H,61,67)(H,62,71)(H,72,73)(H4,54,55,56)/b22-16+,30-27+/t31-,32-,33+,38-,39-,40-,41+,42+,43-/m0/s1
+CH$LINK: CHEBI 220699
+CH$LINK: PUBCHEM CID:146684706
+CH$LINK: INCHIKEY QHVWVRZVAONQRC-IXKKHWRDSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 110-1102
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.934 min
+MS$FOCUSED_ION: BASE_PEAK 858.4379
+MS$FOCUSED_ION: PRECURSOR_M/Z 1059.551
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0gw0-0920000000-a26bfad54d60450d97f7
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  112.0867 C5H10N3+ 1 112.0869 -2.37
+  114.1027 C5H12N3+ 1 114.1026 1.17
+  115.0865 C5H11N2O+ 1 115.0866 -0.77
+  117.0698 C9H9+ 1 117.0699 -1.04
+  124.1118 C8H14N+ 1 124.1121 -2.04
+  127.0862 C6H11N2O+ 1 127.0866 -2.75
+  130.0493 C5H8NO3+ 1 130.0499 -4.4
+  131.0856 C10H11+ 1 131.0855 0.66
+  133.0645 C9H9O+ 1 133.0648 -2.44
+  135.0801 C9H11O+ 1 135.0804 -2.27
+  135.1163 C10H15+ 1 135.1168 -3.68
+  138.0545 C7H8NO2+ 1 138.055 -3.56
+  139.0976 C6H11N4+ 1 139.0978 -1.85
+  140.0818 C6H10N3O+ 1 140.0818 -0.06
+  150.0909 C9H12NO+ 1 150.0913 -2.77
+  155.081 C7H11N2O2+ 1 155.0815 -3.52
+  156.1239 C6H14N5+ 1 156.1244 -2.75
+  157.108 C6H13N4O+ 1 157.1084 -2.19
+  158.0924 C6H12N3O2+ 1 158.0924 -0.2
+  161.0956 C11H13O+ 1 161.0961 -3.2
+  163.1113 C11H15O+ 1 163.1117 -2.6
+  167.0811 C8H11N2O2+ 1 167.0815 -2.36
+  174.1345 C6H16N5O+ 1 174.1349 -2.6
+  175.1188 C6H15N4O2+ 1 175.119 -0.91
+  182.1033 C7H12N5O+ 1 182.1036 -1.73
+  183.0873 C7H11N4O2+ 1 183.0877 -1.88
+  195.0757 C9H11N2O3+ 2 195.0764 -3.54
+  200.1134 C6H18NO6+ 3 200.1129 2.81
+  201.097 C6H17O7+ 2 201.0969 0.83
+  213.0862 C9H13N2O4+ 2 213.087 -3.74
+  223.1179 C9H19O6+ 3 223.1176 1.48
+  226.1177 C8H14N6O2+ 2 226.1173 1.7
+  237.1624 C2H21N8O5+ 3 237.1629 -2.11
+  239.0652 C8H9N5O4+ 3 239.0649 1.38
+  285.1661 C10H25N2O7+ 3 285.1656 1.78
+  375.1911 C19H21N9+ 6 375.1914 -0.99
+PK$NUM_PEAK: 36
+PK$PEAK: m/z int. rel.int.
+  112.0867 184539.3 210
+  114.1027 26227.2 29
+  115.0865 81144.5 92
+  117.0698 41057.8 46
+  124.1118 25735.9 29
+  127.0862 298167 339
+  130.0493 15136.3 17
+  131.0856 23928.3 27
+  133.0645 25753.2 29
+  135.0801 877695.5 999
+  135.1163 317437.6 361
+  138.0545 47515.9 54
+  139.0976 21478.2 24
+  140.0818 54142.6 61
+  150.0909 391524.2 445
+  155.081 276820.8 315
+  156.1239 62278.7 70
+  157.108 186470.6 212
+  158.0924 35580.7 40
+  161.0956 29493.5 33
+  163.1113 253055.9 288
+  167.0811 56778 64
+  174.1345 197366.5 224
+  175.1188 37161 42
+  182.1033 32650.9 37
+  183.0873 39133.6 44
+  195.0757 73677.3 83
+  200.1134 218192.1 248
+  201.097 53873.5 61
+  213.0862 440252.7 501
+  223.1179 44972.3 51
+  226.1177 78563.7 89
+  237.1624 41148.4 46
+  239.0652 72698.9 82
+  285.1661 114036.5 129
+  375.1911 146036.1 166
+//
diff --git a/Eawag/MSBNK-EAWAG-ED201606.txt b/Eawag/MSBNK-EAWAG-ED201606.txt
new file mode 100644
index 0000000000..0343817242
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED201606.txt
@@ -0,0 +1,114 @@
+ACCESSION: MSBNK-EAWAG-ED201606
+RECORD_TITLE: [D-Asp3,D-Glu(OMe)6]MC-HtyR (and isomers); LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.02.14
+AUTHORS: R. Natumi [dtc], E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1021/acs.est.1c04194
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 2016
+CH$NAME: [D-Asp3,D-Glu(OMe)6]MC-HtyR (and isomers)
+CH$NAME: [D-Asp3,D-MeO-Glu6]MC-HtyR
+CH$NAME: (5R,8S,11R,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-8-[2-(4-hydroxyphenyl)ethyl]-22-methoxycarbonyl-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,19-trimethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11-carboxylic acid
+CH$COMPOUND_CLASS: N/A
+CH$FORMULA: C53H74N10O13
+CH$EXACT_MASS: 1058.543682
+CH$SMILES: O=C(N(C)C(C(N[C@H](C)C1=O)=O)=C)CC[C@H](C(OC)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CCCNC(N)=N)NC(C[C@H](C(O)=O)NC([C@@H](N1)CCC3=CC=C(O)C=C3)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C53H74N10O13/c1-30(27-31(2)43(75-7)28-36-13-10-9-11-14-36)16-22-38-32(3)46(67)61-41(52(74)76-8)24-25-45(66)63(6)34(5)48(69)57-33(4)47(68)60-40(23-19-35-17-20-37(64)21-18-35)50(71)62-42(51(72)73)29-44(65)58-39(49(70)59-38)15-12-26-56-53(54)55/h9-11,13-14,16-18,20-22,27,31-33,38-43,64H,5,12,15,19,23-26,28-29H2,1-4,6-8H3,(H,57,69)(H,58,65)(H,59,70)(H,60,68)(H,61,67)(H,62,71)(H,72,73)(H4,54,55,56)/b22-16+,30-27+/t31-,32-,33+,38-,39-,40-,41+,42+,43-/m0/s1
+CH$LINK: CHEBI 220699
+CH$LINK: PUBCHEM CID:146684706
+CH$LINK: INCHIKEY QHVWVRZVAONQRC-IXKKHWRDSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 110-1102
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.934 min
+MS$FOCUSED_ION: BASE_PEAK 858.4379
+MS$FOCUSED_ION: PRECURSOR_M/Z 1059.551
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-000i-0910000000-305f6b6988dc764fd3f0
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  112.0867 C5H10N3+ 1 112.0869 -1.63
+  113.0706 C5H9N2O+ 1 113.0709 -2.75
+  115.0541 C9H7+ 1 115.0542 -1.45
+  115.0863 C5H11N2O+ 1 115.0866 -2.5
+  117.0697 C9H9+ 1 117.0699 -1.43
+  120.0808 C8H10N+ 1 120.0808 0.39
+  124.1122 C8H14N+ 1 124.1121 1.16
+  127.0863 C6H11N2O+ 1 127.0866 -1.91
+  130.05 C5H8NO3+ 1 130.0499 0.64
+  130.0972 C5H12N3O+ 1 130.0975 -2.02
+  131.0852 C10H11+ 1 131.0855 -2.36
+  133.0646 C9H9O+ 1 133.0648 -1.06
+  135.0802 C9H11O+ 1 135.0804 -1.7
+  135.1163 C10H15+ 1 135.1168 -3.91
+  139.0978 C6H11N4+ 1 139.0978 -0.42
+  140.0814 C6H10N3O+ 1 140.0818 -2.9
+  141.0655 C6H9N2O2+ 1 141.0659 -2.4
+  143.0852 C11H11+ 1 143.0855 -2.57
+  145.1014 C11H13+ 1 145.1012 1.22
+  149.0708 C8H9N2O+ 1 149.0709 -1.06
+  150.091 C9H12NO+ 1 150.0913 -1.96
+  155.081 C7H11N2O2+ 1 155.0815 -3.33
+  157.1079 C6H13N4O+ 1 157.1084 -2.97
+  158.0921 C6H12N3O2+ 1 158.0924 -1.74
+  163.1115 C11H15O+ 1 163.1117 -1.75
+  167.0812 C8H11N2O2+ 1 167.0815 -1.72
+  174.1351 C6H16N5O+ 1 174.1349 1.17
+  175.1183 C6H15N4O2+ 3 175.119 -3.79
+  182.1038 C7H12N5O+ 1 182.1036 1.04
+  183.0872 C7H11N4O2+ 3 183.0877 -2.63
+  200.1136 C6H18NO6+ 3 200.1129 3.5
+  213.0863 C9H13N2O4+ 2 213.087 -3.24
+  223.1178 C9H19O6+ 3 223.1176 1
+  225.1342 C10H17N4O2+ 3 225.1346 -1.75
+  226.1177 C8H14N6O2+ 2 226.1173 1.7
+PK$NUM_PEAK: 35
+PK$PEAK: m/z int. rel.int.
+  112.0867 206281.4 224
+  113.0706 58010.6 63
+  115.0541 45446.3 49
+  115.0863 138198.5 150
+  117.0697 132505.6 144
+  120.0808 30736.8 33
+  124.1122 25021.5 27
+  127.0863 533151.5 580
+  130.05 25393.7 27
+  130.0972 9604.5 10
+  131.0852 36035.2 39
+  133.0646 37778.8 41
+  135.0802 917755.8 999
+  135.1163 292184 318
+  139.0978 22452.1 24
+  140.0814 73431.7 79
+  141.0655 80842 87
+  143.0852 18257 19
+  145.1014 31387.5 34
+  149.0708 12663.9 13
+  150.091 242098.1 263
+  155.081 211028.1 229
+  157.1079 110169.1 119
+  158.0921 41519.2 45
+  163.1115 132018.6 143
+  167.0812 125318.2 136
+  174.1351 69833.6 76
+  175.1183 20566.1 22
+  182.1038 29945.4 32
+  183.0872 55182.5 60
+  200.1136 174202.2 189
+  213.0863 283402.6 308
+  223.1178 29092.7 31
+  225.1342 28535.4 31
+  226.1177 64213.1 69
+//
diff --git a/Eawag/MSBNK-EAWAG-ED201607.txt b/Eawag/MSBNK-EAWAG-ED201607.txt
new file mode 100644
index 0000000000..9d27e427d9
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED201607.txt
@@ -0,0 +1,102 @@
+ACCESSION: MSBNK-EAWAG-ED201607
+RECORD_TITLE: [D-Asp3,D-Glu(OMe)6]MC-HtyR (and isomers); LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.02.14
+AUTHORS: R. Natumi [dtc], E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1021/acs.est.1c04194
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 2016
+CH$NAME: [D-Asp3,D-Glu(OMe)6]MC-HtyR (and isomers)
+CH$NAME: [D-Asp3,D-MeO-Glu6]MC-HtyR
+CH$NAME: (5R,8S,11R,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-8-[2-(4-hydroxyphenyl)ethyl]-22-methoxycarbonyl-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,19-trimethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11-carboxylic acid
+CH$COMPOUND_CLASS: N/A
+CH$FORMULA: C53H74N10O13
+CH$EXACT_MASS: 1058.543682
+CH$SMILES: O=C(N(C)C(C(N[C@H](C)C1=O)=O)=C)CC[C@H](C(OC)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CCCNC(N)=N)NC(C[C@H](C(O)=O)NC([C@@H](N1)CCC3=CC=C(O)C=C3)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C53H74N10O13/c1-30(27-31(2)43(75-7)28-36-13-10-9-11-14-36)16-22-38-32(3)46(67)61-41(52(74)76-8)24-25-45(66)63(6)34(5)48(69)57-33(4)47(68)60-40(23-19-35-17-20-37(64)21-18-35)50(71)62-42(51(72)73)29-44(65)58-39(49(70)59-38)15-12-26-56-53(54)55/h9-11,13-14,16-18,20-22,27,31-33,38-43,64H,5,12,15,19,23-26,28-29H2,1-4,6-8H3,(H,57,69)(H,58,65)(H,59,70)(H,60,68)(H,61,67)(H,62,71)(H,72,73)(H4,54,55,56)/b22-16+,30-27+/t31-,32-,33+,38-,39-,40-,41+,42+,43-/m0/s1
+CH$LINK: CHEBI 220699
+CH$LINK: PUBCHEM CID:146684706
+CH$LINK: INCHIKEY QHVWVRZVAONQRC-IXKKHWRDSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 110-1102
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.934 min
+MS$FOCUSED_ION: BASE_PEAK 858.4379
+MS$FOCUSED_ION: PRECURSOR_M/Z 1059.551
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-002r-0900000000-5468c88842a77e4f327f
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  112.0868 C5H10N3+ 1 112.0869 -1.42
+  113.071 C5H9N2O+ 1 113.0709 0.35
+  114.1027 C5H12N3+ 1 114.1026 0.77
+  115.0538 C9H7+ 1 115.0542 -3.7
+  115.0865 C5H11N2O+ 1 115.0866 -1.11
+  117.0696 C9H9+ 1 117.0699 -2.67
+  119.0855 C9H11+ 1 119.0855 -0.28
+  120.0806 C8H10N+ 1 120.0808 -1.39
+  124.1122 C8H14N+ 1 124.1121 1.16
+  127.0862 C6H11N2O+ 1 127.0866 -2.69
+  130.05 C5H8NO3+ 1 130.0499 1.23
+  131.0854 C10H11+ 1 131.0855 -0.62
+  133.0645 C9H9O+ 1 133.0648 -1.98
+  135.0801 C9H11O+ 1 135.0804 -2.38
+  135.1163 C10H15+ 1 135.1168 -3.68
+  138.0545 C7H8NO2+ 1 138.055 -3.34
+  140.0817 C6H10N3O+ 1 140.0818 -1.26
+  141.0654 C6H9N2O2+ 1 141.0659 -2.95
+  145.1014 C11H13+ 1 145.1012 1.22
+  149.0706 C8H9N2O+ 1 149.0709 -2.29
+  150.0912 C9H12NO+ 1 150.0913 -1.14
+  155.081 C7H11N2O2+ 1 155.0815 -3.33
+  158.0928 C6H12N3O2+ 1 158.0924 2.41
+  163.1116 C11H15O+ 1 163.1117 -0.91
+  167.0811 C8H11N2O2+ 1 167.0815 -2.63
+  182.1034 C7H12N5O+ 1 182.1036 -1.22
+  183.0871 C7H11N4O2+ 3 183.0877 -3.13
+  195.0757 C9H11N2O3+ 2 195.0764 -3.54
+  213.0862 C9H13N2O4+ 2 213.087 -3.53
+PK$NUM_PEAK: 29
+PK$PEAK: m/z int. rel.int.
+  112.0868 175191 280
+  113.071 27938.3 44
+  114.1027 36838.9 59
+  115.0538 88528.2 141
+  115.0865 110970.1 177
+  117.0696 170814.8 273
+  119.0855 19567.9 31
+  120.0806 30698.6 49
+  124.1122 19131.1 30
+  127.0862 493910.4 791
+  130.05 36744.5 58
+  131.0854 33802.9 54
+  133.0645 33467.7 53
+  135.0801 623306 999
+  135.1163 216655.3 347
+  138.0545 45005.9 72
+  140.0817 57020.1 91
+  141.0654 114180.3 183
+  145.1014 26166.9 41
+  149.0706 26936.3 43
+  150.0912 87736.1 140
+  155.081 94889.3 152
+  158.0928 29192.3 46
+  163.1116 50719.7 81
+  167.0811 134719.8 215
+  182.1034 30099.1 48
+  183.0871 31620.9 50
+  195.0757 64135.4 102
+  213.0862 128098.2 205
+//
diff --git a/Eawag/MSBNK-EAWAG-ED201651.txt b/Eawag/MSBNK-EAWAG-ED201651.txt
new file mode 100644
index 0000000000..ae6f5ba15e
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED201651.txt
@@ -0,0 +1,48 @@
+ACCESSION: MSBNK-EAWAG-ED201651
+RECORD_TITLE: [D-Asp3,D-Glu(OMe)6]MC-HtyR (and isomers); LC-ESI-QFT; MS2; CE: 15%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.02.14
+AUTHORS: R. Natumi [dtc], E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1021/acs.est.1c04194
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 2016
+CH$NAME: [D-Asp3,D-Glu(OMe)6]MC-HtyR (and isomers)
+CH$NAME: [D-Asp3,D-MeO-Glu6]MC-HtyR
+CH$NAME: (5R,8S,11R,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-8-[2-(4-hydroxyphenyl)ethyl]-22-methoxycarbonyl-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,19-trimethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11-carboxylic acid
+CH$COMPOUND_CLASS: N/A
+CH$FORMULA: C53H74N10O13
+CH$EXACT_MASS: 1058.543682
+CH$SMILES: O=C(N(C)C(C(N[C@H](C)C1=O)=O)=C)CC[C@H](C(OC)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CCCNC(N)=N)NC(C[C@H](C(O)=O)NC([C@@H](N1)CCC3=CC=C(O)C=C3)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C53H74N10O13/c1-30(27-31(2)43(75-7)28-36-13-10-9-11-14-36)16-22-38-32(3)46(67)61-41(52(74)76-8)24-25-45(66)63(6)34(5)48(69)57-33(4)47(68)60-40(23-19-35-17-20-37(64)21-18-35)50(71)62-42(51(72)73)29-44(65)58-39(49(70)59-38)15-12-26-56-53(54)55/h9-11,13-14,16-18,20-22,27,31-33,38-43,64H,5,12,15,19,23-26,28-29H2,1-4,6-8H3,(H,57,69)(H,58,65)(H,59,70)(H,60,68)(H,61,67)(H,62,71)(H,72,73)(H4,54,55,56)/b22-16+,30-27+/t31-,32-,33+,38-,39-,40-,41+,42+,43-/m0/s1
+CH$LINK: CHEBI 220699
+CH$LINK: PUBCHEM CID:146684706
+CH$LINK: INCHIKEY QHVWVRZVAONQRC-IXKKHWRDSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 109-1100
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.947 min
+MS$FOCUSED_ION: BASE_PEAK 856.4258
+MS$FOCUSED_ION: PRECURSOR_M/Z 1057.5364
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0a4i-9000000000-d823070f533826a296fb
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  1039.5272 C53H71N10O12- 1 1039.5258 1.29
+  1057.5368 C53H73N10O13- 1 1057.5364 0.41
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  1039.5272 87912.7 12
+  1057.5368 7215801 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED201652.txt b/Eawag/MSBNK-EAWAG-ED201652.txt
new file mode 100644
index 0000000000..0734e7719b
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED201652.txt
@@ -0,0 +1,48 @@
+ACCESSION: MSBNK-EAWAG-ED201652
+RECORD_TITLE: [D-Asp3,D-Glu(OMe)6]MC-HtyR (and isomers); LC-ESI-QFT; MS2; CE: 20%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.02.14
+AUTHORS: R. Natumi [dtc], E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1021/acs.est.1c04194
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 2016
+CH$NAME: [D-Asp3,D-Glu(OMe)6]MC-HtyR (and isomers)
+CH$NAME: [D-Asp3,D-MeO-Glu6]MC-HtyR
+CH$NAME: (5R,8S,11R,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-8-[2-(4-hydroxyphenyl)ethyl]-22-methoxycarbonyl-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,19-trimethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11-carboxylic acid
+CH$COMPOUND_CLASS: N/A
+CH$FORMULA: C53H74N10O13
+CH$EXACT_MASS: 1058.543682
+CH$SMILES: O=C(N(C)C(C(N[C@H](C)C1=O)=O)=C)CC[C@H](C(OC)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CCCNC(N)=N)NC(C[C@H](C(O)=O)NC([C@@H](N1)CCC3=CC=C(O)C=C3)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C53H74N10O13/c1-30(27-31(2)43(75-7)28-36-13-10-9-11-14-36)16-22-38-32(3)46(67)61-41(52(74)76-8)24-25-45(66)63(6)34(5)48(69)57-33(4)47(68)60-40(23-19-35-17-20-37(64)21-18-35)50(71)62-42(51(72)73)29-44(65)58-39(49(70)59-38)15-12-26-56-53(54)55/h9-11,13-14,16-18,20-22,27,31-33,38-43,64H,5,12,15,19,23-26,28-29H2,1-4,6-8H3,(H,57,69)(H,58,65)(H,59,70)(H,60,68)(H,61,67)(H,62,71)(H,72,73)(H4,54,55,56)/b22-16+,30-27+/t31-,32-,33+,38-,39-,40-,41+,42+,43-/m0/s1
+CH$LINK: CHEBI 220699
+CH$LINK: PUBCHEM CID:146684706
+CH$LINK: INCHIKEY QHVWVRZVAONQRC-IXKKHWRDSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 109-1100
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.947 min
+MS$FOCUSED_ION: BASE_PEAK 856.4258
+MS$FOCUSED_ION: PRECURSOR_M/Z 1057.5364
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0a4i-9000000000-d6597813fa2b73fb74a5
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  1039.5267 C53H71N10O12- 1 1039.5258 0.82
+  1057.5372 C53H73N10O13- 1 1057.5364 0.76
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  1039.5267 855967.4 138
+  1057.5372 6189408 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED201653.txt b/Eawag/MSBNK-EAWAG-ED201653.txt
new file mode 100644
index 0000000000..cc07ed5cbd
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED201653.txt
@@ -0,0 +1,48 @@
+ACCESSION: MSBNK-EAWAG-ED201653
+RECORD_TITLE: [D-Asp3,D-Glu(OMe)6]MC-HtyR (and isomers); LC-ESI-QFT; MS2; CE: 25%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.02.14
+AUTHORS: R. Natumi [dtc], E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1021/acs.est.1c04194
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 2016
+CH$NAME: [D-Asp3,D-Glu(OMe)6]MC-HtyR (and isomers)
+CH$NAME: [D-Asp3,D-MeO-Glu6]MC-HtyR
+CH$NAME: (5R,8S,11R,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-8-[2-(4-hydroxyphenyl)ethyl]-22-methoxycarbonyl-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,19-trimethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11-carboxylic acid
+CH$COMPOUND_CLASS: N/A
+CH$FORMULA: C53H74N10O13
+CH$EXACT_MASS: 1058.543682
+CH$SMILES: O=C(N(C)C(C(N[C@H](C)C1=O)=O)=C)CC[C@H](C(OC)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CCCNC(N)=N)NC(C[C@H](C(O)=O)NC([C@@H](N1)CCC3=CC=C(O)C=C3)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C53H74N10O13/c1-30(27-31(2)43(75-7)28-36-13-10-9-11-14-36)16-22-38-32(3)46(67)61-41(52(74)76-8)24-25-45(66)63(6)34(5)48(69)57-33(4)47(68)60-40(23-19-35-17-20-37(64)21-18-35)50(71)62-42(51(72)73)29-44(65)58-39(49(70)59-38)15-12-26-56-53(54)55/h9-11,13-14,16-18,20-22,27,31-33,38-43,64H,5,12,15,19,23-26,28-29H2,1-4,6-8H3,(H,57,69)(H,58,65)(H,59,70)(H,60,68)(H,61,67)(H,62,71)(H,72,73)(H4,54,55,56)/b22-16+,30-27+/t31-,32-,33+,38-,39-,40-,41+,42+,43-/m0/s1
+CH$LINK: CHEBI 220699
+CH$LINK: PUBCHEM CID:146684706
+CH$LINK: INCHIKEY QHVWVRZVAONQRC-IXKKHWRDSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 109-1100
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.947 min
+MS$FOCUSED_ION: BASE_PEAK 856.4258
+MS$FOCUSED_ION: PRECURSOR_M/Z 1057.5364
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0a4r-9000000000-b879a56b9481428bca7e
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  1039.5263 C53H71N10O12- 1 1039.5258 0.47
+  1057.537 C53H73N10O13- 1 1057.5364 0.53
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  1039.5263 2872976 807
+  1057.537 3555187 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED201654.txt b/Eawag/MSBNK-EAWAG-ED201654.txt
new file mode 100644
index 0000000000..7ce4abb13c
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED201654.txt
@@ -0,0 +1,58 @@
+ACCESSION: MSBNK-EAWAG-ED201654
+RECORD_TITLE: [D-Asp3,D-Glu(OMe)6]MC-HtyR (and isomers); LC-ESI-QFT; MS2; CE: 30%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.02.14
+AUTHORS: R. Natumi [dtc], E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1021/acs.est.1c04194
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 2016
+CH$NAME: [D-Asp3,D-Glu(OMe)6]MC-HtyR (and isomers)
+CH$NAME: [D-Asp3,D-MeO-Glu6]MC-HtyR
+CH$NAME: (5R,8S,11R,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-8-[2-(4-hydroxyphenyl)ethyl]-22-methoxycarbonyl-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,19-trimethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11-carboxylic acid
+CH$COMPOUND_CLASS: N/A
+CH$FORMULA: C53H74N10O13
+CH$EXACT_MASS: 1058.543682
+CH$SMILES: O=C(N(C)C(C(N[C@H](C)C1=O)=O)=C)CC[C@H](C(OC)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CCCNC(N)=N)NC(C[C@H](C(O)=O)NC([C@@H](N1)CCC3=CC=C(O)C=C3)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C53H74N10O13/c1-30(27-31(2)43(75-7)28-36-13-10-9-11-14-36)16-22-38-32(3)46(67)61-41(52(74)76-8)24-25-45(66)63(6)34(5)48(69)57-33(4)47(68)60-40(23-19-35-17-20-37(64)21-18-35)50(71)62-42(51(72)73)29-44(65)58-39(49(70)59-38)15-12-26-56-53(54)55/h9-11,13-14,16-18,20-22,27,31-33,38-43,64H,5,12,15,19,23-26,28-29H2,1-4,6-8H3,(H,57,69)(H,58,65)(H,59,70)(H,60,68)(H,61,67)(H,62,71)(H,72,73)(H4,54,55,56)/b22-16+,30-27+/t31-,32-,33+,38-,39-,40-,41+,42+,43-/m0/s1
+CH$LINK: CHEBI 220699
+CH$LINK: PUBCHEM CID:146684706
+CH$LINK: INCHIKEY QHVWVRZVAONQRC-IXKKHWRDSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 109-1100
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.947 min
+MS$FOCUSED_ION: BASE_PEAK 856.4258
+MS$FOCUSED_ION: PRECURSOR_M/Z 1057.5364
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-000i-9000000000-a99d9f11e534965f1da2
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  128.0352 C5H6NO3- 1 128.0353 -0.67
+  347.1724 C17H23N4O4- 6 347.1725 -0.32
+  375.167 C18H23N4O5- 6 375.1674 -1.03
+  476.2149 C22H30N5O7- 8 476.2151 -0.28
+  945.5198 C53H69N8O8- 5 945.5244 -4.89
+  1039.5266 C53H71N10O12- 1 1039.5258 0.7
+  1057.537 C53H73N10O13- 1 1057.5364 0.53
+PK$NUM_PEAK: 7
+PK$PEAK: m/z int. rel.int.
+  128.0352 214302.2 59
+  347.1724 129043 35
+  375.167 54246.6 15
+  476.2149 37239.6 10
+  945.5198 124299.3 34
+  1039.5266 3586762 999
+  1057.537 740066 206
+//
diff --git a/Eawag/MSBNK-EAWAG-ED201655.txt b/Eawag/MSBNK-EAWAG-ED201655.txt
new file mode 100644
index 0000000000..c376a2b235
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED201655.txt
@@ -0,0 +1,60 @@
+ACCESSION: MSBNK-EAWAG-ED201655
+RECORD_TITLE: [D-Asp3,D-Glu(OMe)6]MC-HtyR (and isomers); LC-ESI-QFT; MS2; CE: 40%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.02.14
+AUTHORS: R. Natumi [dtc], E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1021/acs.est.1c04194
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 2016
+CH$NAME: [D-Asp3,D-Glu(OMe)6]MC-HtyR (and isomers)
+CH$NAME: [D-Asp3,D-MeO-Glu6]MC-HtyR
+CH$NAME: (5R,8S,11R,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-8-[2-(4-hydroxyphenyl)ethyl]-22-methoxycarbonyl-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,19-trimethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11-carboxylic acid
+CH$COMPOUND_CLASS: N/A
+CH$FORMULA: C53H74N10O13
+CH$EXACT_MASS: 1058.543682
+CH$SMILES: O=C(N(C)C(C(N[C@H](C)C1=O)=O)=C)CC[C@H](C(OC)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CCCNC(N)=N)NC(C[C@H](C(O)=O)NC([C@@H](N1)CCC3=CC=C(O)C=C3)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C53H74N10O13/c1-30(27-31(2)43(75-7)28-36-13-10-9-11-14-36)16-22-38-32(3)46(67)61-41(52(74)76-8)24-25-45(66)63(6)34(5)48(69)57-33(4)47(68)60-40(23-19-35-17-20-37(64)21-18-35)50(71)62-42(51(72)73)29-44(65)58-39(49(70)59-38)15-12-26-56-53(54)55/h9-11,13-14,16-18,20-22,27,31-33,38-43,64H,5,12,15,19,23-26,28-29H2,1-4,6-8H3,(H,57,69)(H,58,65)(H,59,70)(H,60,68)(H,61,67)(H,62,71)(H,72,73)(H4,54,55,56)/b22-16+,30-27+/t31-,32-,33+,38-,39-,40-,41+,42+,43-/m0/s1
+CH$LINK: CHEBI 220699
+CH$LINK: PUBCHEM CID:146684706
+CH$LINK: INCHIKEY QHVWVRZVAONQRC-IXKKHWRDSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 109-1100
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.947 min
+MS$FOCUSED_ION: BASE_PEAK 856.4258
+MS$FOCUSED_ION: PRECURSOR_M/Z 1057.5364
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-004i-1913000000-ea246628a65980af9449
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  110.025 C5H4NO2- 1 110.0248 2.47
+  123.0563 C6H7N2O- 1 123.0564 -0.49
+  128.0352 C5H6NO3- 1 128.0353 -0.67
+  153.0666 C7H9N2O2- 1 153.067 -2.19
+  229.0976 C13H13N2O2- 2 229.0983 -2.86
+  264.1349 C11H16N6O2- 2 264.134 3.28
+  347.1719 C17H23N4O4- 5 347.1725 -1.73
+  1039.5262 C53H71N10O12- 1 1039.5258 0.35
+PK$NUM_PEAK: 8
+PK$PEAK: m/z int. rel.int.
+  110.025 53227.5 73
+  123.0563 96339.4 133
+  128.0352 723267.4 999
+  153.0666 58281.5 80
+  229.0976 37814.7 52
+  264.1349 122134.6 168
+  347.1719 320596.4 442
+  1039.5262 122297.9 168
+//
diff --git a/Eawag/MSBNK-EAWAG-ED201656.txt b/Eawag/MSBNK-EAWAG-ED201656.txt
new file mode 100644
index 0000000000..54c8ac80ba
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED201656.txt
@@ -0,0 +1,80 @@
+ACCESSION: MSBNK-EAWAG-ED201656
+RECORD_TITLE: [D-Asp3,D-Glu(OMe)6]MC-HtyR (and isomers); LC-ESI-QFT; MS2; CE: 50%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.02.14
+AUTHORS: R. Natumi [dtc], E. Janssen [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.1021/acs.est.1c04194
+COMMENT: CONFIDENCE 3
+COMMENT: CyanoMetDB_ID 2016
+CH$NAME: [D-Asp3,D-Glu(OMe)6]MC-HtyR (and isomers)
+CH$NAME: [D-Asp3,D-MeO-Glu6]MC-HtyR
+CH$NAME: (5R,8S,11R,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-8-[2-(4-hydroxyphenyl)ethyl]-22-methoxycarbonyl-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,19-trimethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11-carboxylic acid
+CH$COMPOUND_CLASS: N/A
+CH$FORMULA: C53H74N10O13
+CH$EXACT_MASS: 1058.543682
+CH$SMILES: O=C(N(C)C(C(N[C@H](C)C1=O)=O)=C)CC[C@H](C(OC)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CCCNC(N)=N)NC(C[C@H](C(O)=O)NC([C@@H](N1)CCC3=CC=C(O)C=C3)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C53H74N10O13/c1-30(27-31(2)43(75-7)28-36-13-10-9-11-14-36)16-22-38-32(3)46(67)61-41(52(74)76-8)24-25-45(66)63(6)34(5)48(69)57-33(4)47(68)60-40(23-19-35-17-20-37(64)21-18-35)50(71)62-42(51(72)73)29-44(65)58-39(49(70)59-38)15-12-26-56-53(54)55/h9-11,13-14,16-18,20-22,27,31-33,38-43,64H,5,12,15,19,23-26,28-29H2,1-4,6-8H3,(H,57,69)(H,58,65)(H,59,70)(H,60,68)(H,61,67)(H,62,71)(H,72,73)(H4,54,55,56)/b22-16+,30-27+/t31-,32-,33+,38-,39-,40-,41+,42+,43-/m0/s1
+CH$LINK: CHEBI 220699
+CH$LINK: PUBCHEM CID:146684706
+CH$LINK: INCHIKEY QHVWVRZVAONQRC-IXKKHWRDSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 109-1100
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.947 min
+MS$FOCUSED_ION: BASE_PEAK 856.4258
+MS$FOCUSED_ION: PRECURSOR_M/Z 1057.5364
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-004i-0911000000-cb24615b4b4694e0ddfc
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  110.0247 C5H4NO2- 1 110.0248 -0.72
+  112.0407 C5H6NO2- 1 112.0404 2.24
+  119.0504 C8H7O- 1 119.0502 1.15
+  123.0563 C6H7N2O- 1 123.0564 -0.68
+  124.0405 C6H6NO2- 1 124.0404 0.56
+  128.0352 C5H6NO3- 1 128.0353 -0.67
+  131.0865 C10H11- 1 131.0866 -1.08
+  144.078 C5H10N3O2- 1 144.0779 0.88
+  153.0668 C7H9N2O2- 1 153.067 -1.19
+  167.0828 C8H11N2O2- 1 167.0826 1.43
+  181.0984 C9H13N2O2- 1 181.0983 1.02
+  193.0978 C10H13N2O2- 2 193.0983 -2.3
+  203.0823 C11H11N2O2- 1 203.0826 -1.58
+  219.0775 C11H11N2O3- 1 219.0775 0.03
+  229.0981 C13H13N2O2- 2 229.0983 -0.8
+  246.1242 C13H16N3O2- 3 246.1248 -2.46
+  264.1347 C11H16N6O2- 2 264.134 2.59
+  329.1615 C17H21N4O3- 5 329.1619 -1.17
+PK$NUM_PEAK: 18
+PK$PEAK: m/z int. rel.int.
+  110.0247 66706 144
+  112.0407 22276.6 48
+  119.0504 64657.5 139
+  123.0563 217596.1 470
+  124.0405 69877.9 151
+  128.0352 461943.7 999
+  131.0865 27498.7 59
+  144.078 22202.6 48
+  153.0668 74779.6 161
+  167.0828 24373.9 52
+  181.0984 23127.7 50
+  193.0978 97976.5 211
+  203.0823 21672.1 46
+  219.0775 25618.3 55
+  229.0981 34869.9 75
+  246.1242 61166.4 132
+  264.1347 103411 223
+  329.1615 140133 303
+//
diff --git a/Eawag/MSBNK-EAWAG-ED203601.txt b/Eawag/MSBNK-EAWAG-ED203601.txt
new file mode 100644
index 0000000000..6a4657fe28
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED203601.txt
@@ -0,0 +1,45 @@
+ACCESSION: MSBNK-EAWAG-ED203601
+RECORD_TITLE: [Met(O)1]MC-LR; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2036
+CH$NAME: [Met(O)1]MC-LR
+CH$NAME: [D-Met(O)1]MC-LR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,12,19-trimethyl-2-methylidene-8-(2-methylpropyl)-5-(2-methylsulfinylethyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C51H78N10O13S
+CH$EXACT_MASS: 1070.547054
+CH$SMILES: O=C(N(C)C(C(N[C@@H](C1=O)CCS(C)=O)=O)=C)CC[C@H](C(O)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CCCNC(N)=N)NC([C@@H](C)[C@H](C(O)=O)NC([C@@H](N1)CC(C)C)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C51H78N10O13S/c1-28(2)25-39-48(68)60-42(50(71)72)32(6)44(64)56-36(17-14-23-54-51(52)53)46(66)55-35(19-18-29(3)26-30(4)40(74-9)27-34-15-12-11-13-16-34)31(5)43(63)58-38(49(69)70)20-21-41(62)61(8)33(7)45(65)57-37(47(67)59-39)22-24-75(10)73/h11-13,15-16,18-19,26,28,30-32,35-40,42H,7,14,17,20-25,27H2,1-6,8-10H3,(H,55,66)(H,56,64)(H,57,65)(H,58,63)(H,59,67)(H,60,68)(H,69,70)(H,71,72)(H4,52,53,54)/b19-18+,29-26+/t30-,31-,32-,35-,36-,37+,38+,39-,40-,42+,75?/m0/s1
+CH$LINK: CHEBI 214435
+CH$LINK: PUBCHEM CID:146683874
+CH$LINK: INCHIKEY FYGVSVGVTBXKSQ-ZKCOOUHSSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 111-1114
+AC$CHROMATOGRAPHY: COLUMN_NAME Acwuity UPLC HSS T3 1.8um, 3x100mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 85/15 at 0 min, 0/100 at 21 min, 0/100 at 25 min, 2/98 at 25.1 min, 2/98 at 31 min, 85/15 at 31.1 min, 85/15 at 33 min
+AC$CHROMATOGRAPHY: FLOW_RATE 300 uL/min at 0 min, 650 uL/min at 25.1 min, 300 uL/min at 31.1 min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.612 min
+MS$FOCUSED_ION: BASE_PEAK 182.9847
+MS$FOCUSED_ION: PRECURSOR_M/Z 1071.5543
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-00di-9000000000-a18712c2345ce1fc17ce
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  1071.5542 C51H79N10O13S+ 1 1071.5543 -0.08
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  1071.5542 1500879 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED203602.txt b/Eawag/MSBNK-EAWAG-ED203602.txt
new file mode 100644
index 0000000000..c9ed3b70bf
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED203602.txt
@@ -0,0 +1,45 @@
+ACCESSION: MSBNK-EAWAG-ED203602
+RECORD_TITLE: [Met(O)1]MC-LR; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2036
+CH$NAME: [Met(O)1]MC-LR
+CH$NAME: [D-Met(O)1]MC-LR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,12,19-trimethyl-2-methylidene-8-(2-methylpropyl)-5-(2-methylsulfinylethyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C51H78N10O13S
+CH$EXACT_MASS: 1070.547054
+CH$SMILES: O=C(N(C)C(C(N[C@@H](C1=O)CCS(C)=O)=O)=C)CC[C@H](C(O)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CCCNC(N)=N)NC([C@@H](C)[C@H](C(O)=O)NC([C@@H](N1)CC(C)C)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C51H78N10O13S/c1-28(2)25-39-48(68)60-42(50(71)72)32(6)44(64)56-36(17-14-23-54-51(52)53)46(66)55-35(19-18-29(3)26-30(4)40(74-9)27-34-15-12-11-13-16-34)31(5)43(63)58-38(49(69)70)20-21-41(62)61(8)33(7)45(65)57-37(47(67)59-39)22-24-75(10)73/h11-13,15-16,18-19,26,28,30-32,35-40,42H,7,14,17,20-25,27H2,1-6,8-10H3,(H,55,66)(H,56,64)(H,57,65)(H,58,63)(H,59,67)(H,60,68)(H,69,70)(H,71,72)(H4,52,53,54)/b19-18+,29-26+/t30-,31-,32-,35-,36-,37+,38+,39-,40-,42+,75?/m0/s1
+CH$LINK: CHEBI 214435
+CH$LINK: PUBCHEM CID:146683874
+CH$LINK: INCHIKEY FYGVSVGVTBXKSQ-ZKCOOUHSSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 111-1114
+AC$CHROMATOGRAPHY: COLUMN_NAME Acwuity UPLC HSS T3 1.8um, 3x100mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 85/15 at 0 min, 0/100 at 21 min, 0/100 at 25 min, 2/98 at 25.1 min, 2/98 at 31 min, 85/15 at 31.1 min, 85/15 at 33 min
+AC$CHROMATOGRAPHY: FLOW_RATE 300 uL/min at 0 min, 650 uL/min at 25.1 min, 300 uL/min at 31.1 min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.612 min
+MS$FOCUSED_ION: BASE_PEAK 182.9847
+MS$FOCUSED_ION: PRECURSOR_M/Z 1071.5543
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-00di-9000000000-a584bd1915172294df08
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  1071.5551 C51H79N10O13S+ 1 1071.5543 0.71
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  1071.5551 1299966 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED203603.txt b/Eawag/MSBNK-EAWAG-ED203603.txt
new file mode 100644
index 0000000000..eb773ee9f9
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED203603.txt
@@ -0,0 +1,47 @@
+ACCESSION: MSBNK-EAWAG-ED203603
+RECORD_TITLE: [Met(O)1]MC-LR; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2036
+CH$NAME: [Met(O)1]MC-LR
+CH$NAME: [D-Met(O)1]MC-LR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,12,19-trimethyl-2-methylidene-8-(2-methylpropyl)-5-(2-methylsulfinylethyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C51H78N10O13S
+CH$EXACT_MASS: 1070.547054
+CH$SMILES: O=C(N(C)C(C(N[C@@H](C1=O)CCS(C)=O)=O)=C)CC[C@H](C(O)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CCCNC(N)=N)NC([C@@H](C)[C@H](C(O)=O)NC([C@@H](N1)CC(C)C)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C51H78N10O13S/c1-28(2)25-39-48(68)60-42(50(71)72)32(6)44(64)56-36(17-14-23-54-51(52)53)46(66)55-35(19-18-29(3)26-30(4)40(74-9)27-34-15-12-11-13-16-34)31(5)43(63)58-38(49(69)70)20-21-41(62)61(8)33(7)45(65)57-37(47(67)59-39)22-24-75(10)73/h11-13,15-16,18-19,26,28,30-32,35-40,42H,7,14,17,20-25,27H2,1-6,8-10H3,(H,55,66)(H,56,64)(H,57,65)(H,58,63)(H,59,67)(H,60,68)(H,69,70)(H,71,72)(H4,52,53,54)/b19-18+,29-26+/t30-,31-,32-,35-,36-,37+,38+,39-,40-,42+,75?/m0/s1
+CH$LINK: CHEBI 214435
+CH$LINK: PUBCHEM CID:146683874
+CH$LINK: INCHIKEY FYGVSVGVTBXKSQ-ZKCOOUHSSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 111-1114
+AC$CHROMATOGRAPHY: COLUMN_NAME Acwuity UPLC HSS T3 1.8um, 3x100mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 85/15 at 0 min, 0/100 at 21 min, 0/100 at 25 min, 2/98 at 25.1 min, 2/98 at 31 min, 85/15 at 31.1 min, 85/15 at 33 min
+AC$CHROMATOGRAPHY: FLOW_RATE 300 uL/min at 0 min, 650 uL/min at 25.1 min, 300 uL/min at 31.1 min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.612 min
+MS$FOCUSED_ION: BASE_PEAK 182.9847
+MS$FOCUSED_ION: PRECURSOR_M/Z 1071.5543
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-05fr-9000000000-1c7f2e40cb6d154a6db0
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  1007.5568 C47H79N10O12S+ 2 1007.5594 -2.55
+  1071.5556 C51H79N10O13S+ 1 1071.5543 1.17
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  1007.5568 420749.3 566
+  1071.5556 741473.8 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED203604.txt b/Eawag/MSBNK-EAWAG-ED203604.txt
new file mode 100644
index 0000000000..a36539bdf9
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED203604.txt
@@ -0,0 +1,47 @@
+ACCESSION: MSBNK-EAWAG-ED203604
+RECORD_TITLE: [Met(O)1]MC-LR; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2036
+CH$NAME: [Met(O)1]MC-LR
+CH$NAME: [D-Met(O)1]MC-LR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,12,19-trimethyl-2-methylidene-8-(2-methylpropyl)-5-(2-methylsulfinylethyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C51H78N10O13S
+CH$EXACT_MASS: 1070.547054
+CH$SMILES: O=C(N(C)C(C(N[C@@H](C1=O)CCS(C)=O)=O)=C)CC[C@H](C(O)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CCCNC(N)=N)NC([C@@H](C)[C@H](C(O)=O)NC([C@@H](N1)CC(C)C)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C51H78N10O13S/c1-28(2)25-39-48(68)60-42(50(71)72)32(6)44(64)56-36(17-14-23-54-51(52)53)46(66)55-35(19-18-29(3)26-30(4)40(74-9)27-34-15-12-11-13-16-34)31(5)43(63)58-38(49(69)70)20-21-41(62)61(8)33(7)45(65)57-37(47(67)59-39)22-24-75(10)73/h11-13,15-16,18-19,26,28,30-32,35-40,42H,7,14,17,20-25,27H2,1-6,8-10H3,(H,55,66)(H,56,64)(H,57,65)(H,58,63)(H,59,67)(H,60,68)(H,69,70)(H,71,72)(H4,52,53,54)/b19-18+,29-26+/t30-,31-,32-,35-,36-,37+,38+,39-,40-,42+,75?/m0/s1
+CH$LINK: CHEBI 214435
+CH$LINK: PUBCHEM CID:146683874
+CH$LINK: INCHIKEY FYGVSVGVTBXKSQ-ZKCOOUHSSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 111-1114
+AC$CHROMATOGRAPHY: COLUMN_NAME Acwuity UPLC HSS T3 1.8um, 3x100mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 85/15 at 0 min, 0/100 at 21 min, 0/100 at 25 min, 2/98 at 25.1 min, 2/98 at 31 min, 85/15 at 31.1 min, 85/15 at 33 min
+AC$CHROMATOGRAPHY: FLOW_RATE 300 uL/min at 0 min, 650 uL/min at 25.1 min, 300 uL/min at 31.1 min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.612 min
+MS$FOCUSED_ION: BASE_PEAK 182.9847
+MS$FOCUSED_ION: PRECURSOR_M/Z 1071.5543
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0a4i-9000000000-6d0c1b4bc17f651428d3
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  1007.557 C47H79N10O12S+ 2 1007.5594 -2.43
+  1071.5568 C51H79N10O13S+ 1 1071.5543 2.31
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  1007.557 586830.8 999
+  1071.5568 170999.5 291
+//
diff --git a/Eawag/MSBNK-EAWAG-ED203605.txt b/Eawag/MSBNK-EAWAG-ED203605.txt
new file mode 100644
index 0000000000..c0778aa97f
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED203605.txt
@@ -0,0 +1,47 @@
+ACCESSION: MSBNK-EAWAG-ED203605
+RECORD_TITLE: [Met(O)1]MC-LR; LC-ESI-QFT; MS2; CE: 35%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.02.03
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2036
+CH$NAME: [Met(O)1]MC-LR
+CH$NAME: [D-Met(O)1]MC-LR
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,12,19-trimethyl-2-methylidene-8-(2-methylpropyl)-5-(2-methylsulfinylethyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C51H78N10O13S
+CH$EXACT_MASS: 1070.547054
+CH$SMILES: O=C(N(C)C(C(N[C@@H](C1=O)CCS(C)=O)=O)=C)CC[C@H](C(O)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CCCNC(N)=N)NC([C@@H](C)[C@H](C(O)=O)NC([C@@H](N1)CC(C)C)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C51H78N10O13S/c1-28(2)25-39-48(68)60-42(50(71)72)32(6)44(64)56-36(17-14-23-54-51(52)53)46(66)55-35(19-18-29(3)26-30(4)40(74-9)27-34-15-12-11-13-16-34)31(5)43(63)58-38(49(69)70)20-21-41(62)61(8)33(7)45(65)57-37(47(67)59-39)22-24-75(10)73/h11-13,15-16,18-19,26,28,30-32,35-40,42H,7,14,17,20-25,27H2,1-6,8-10H3,(H,55,66)(H,56,64)(H,57,65)(H,58,63)(H,59,67)(H,60,68)(H,69,70)(H,71,72)(H4,52,53,54)/b19-18+,29-26+/t30-,31-,32-,35-,36-,37+,38+,39-,40-,42+,75?/m0/s1
+CH$LINK: CHEBI 214435
+CH$LINK: PUBCHEM CID:146683874
+CH$LINK: INCHIKEY FYGVSVGVTBXKSQ-ZKCOOUHSSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 35 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 111-1114
+AC$CHROMATOGRAPHY: COLUMN_NAME Acwuity UPLC HSS T3 1.8um, 3x100mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 85/15 at 0 min, 0/100 at 21 min, 0/100 at 25 min, 2/98 at 25.1 min, 2/98 at 31 min, 85/15 at 31.1 min, 85/15 at 33 min
+AC$CHROMATOGRAPHY: FLOW_RATE 300 uL/min at 0 min, 650 uL/min at 25.1 min, 300 uL/min at 31.1 min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.612 min
+MS$FOCUSED_ION: BASE_PEAK 182.9847
+MS$FOCUSED_ION: PRECURSOR_M/Z 1071.5543
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0a4i-9100000000-58f618ec12b7ae3405c8
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  135.0806 C9H11O+ 1 135.0804 0.99
+  1007.5561 C47H79N10O12S+ 2 1007.5594 -3.28
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  135.0806 25676.8 112
+  1007.5561 228610.7 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED206601.txt b/Eawag/MSBNK-EAWAG-ED206601.txt
new file mode 100644
index 0000000000..006e6469e3
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED206601.txt
@@ -0,0 +1,44 @@
+ACCESSION: MSBNK-EAWAG-ED206601
+RECORD_TITLE: MC-RY; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], K. Thomas [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2066
+CH$NAME: MC-RY
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-8-[3-(diaminomethylideneamino)propyl]-15-[(4-hydroxyphenyl)methyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H72N10O13
+CH$EXACT_MASS: 1044.528032
+CH$SMILES: O=C(N(C)C(C(N[C@@H](C1=O)C)=O)=C)CC[C@H](C(O)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CC3=CC=C(O)C=C3)NC([C@@H](C)[C@H](C(O)=O)NC([C@@H](N1)CCCNC(N)=N)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C52H72N10O13/c1-28(25-29(2)41(75-8)27-34-13-10-9-11-14-34)16-21-37-30(3)44(65)59-39(50(71)72)22-23-42(64)62(7)33(6)47(68)56-32(5)46(67)58-38(15-12-24-55-52(53)54)48(69)61-43(51(73)74)31(4)45(66)60-40(49(70)57-37)26-35-17-19-36(63)20-18-35/h9-11,13-14,16-21,25,29-32,37-41,43,63H,6,12,15,22-24,26-27H2,1-5,7-8H3,(H,56,68)(H,57,70)(H,58,67)(H,59,65)(H,60,66)(H,61,69)(H,71,72)(H,73,74)(H4,53,54,55)/b21-16+,28-25+/t29-,30-,31-,32+,37-,38-,39+,40-,41-,43+/m0/s1
+CH$LINK: CHEBI 221710
+CH$LINK: PUBCHEM CID:139597972
+CH$LINK: INCHIKEY YCVNLMLOLNNEKI-GJRPNUFSSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 108-1087
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 17.016 min
+MS$FOCUSED_ION: BASE_PEAK 228.1945
+MS$FOCUSED_ION: PRECURSOR_M/Z 1045.5353
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0002-9000000000-106452d9894f3c33a158
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  1045.5343 C52H73N10O13+ 1 1045.5353 -0.93
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  1045.5343 13615957 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED206602.txt b/Eawag/MSBNK-EAWAG-ED206602.txt
new file mode 100644
index 0000000000..0aec69280b
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED206602.txt
@@ -0,0 +1,44 @@
+ACCESSION: MSBNK-EAWAG-ED206602
+RECORD_TITLE: MC-RY; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], K. Thomas [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2066
+CH$NAME: MC-RY
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-8-[3-(diaminomethylideneamino)propyl]-15-[(4-hydroxyphenyl)methyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H72N10O13
+CH$EXACT_MASS: 1044.528032
+CH$SMILES: O=C(N(C)C(C(N[C@@H](C1=O)C)=O)=C)CC[C@H](C(O)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CC3=CC=C(O)C=C3)NC([C@@H](C)[C@H](C(O)=O)NC([C@@H](N1)CCCNC(N)=N)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C52H72N10O13/c1-28(25-29(2)41(75-8)27-34-13-10-9-11-14-34)16-21-37-30(3)44(65)59-39(50(71)72)22-23-42(64)62(7)33(6)47(68)56-32(5)46(67)58-38(15-12-24-55-52(53)54)48(69)61-43(51(73)74)31(4)45(66)60-40(49(70)57-37)26-35-17-19-36(63)20-18-35/h9-11,13-14,16-21,25,29-32,37-41,43,63H,6,12,15,22-24,26-27H2,1-5,7-8H3,(H,56,68)(H,57,70)(H,58,67)(H,59,65)(H,60,66)(H,61,69)(H,71,72)(H,73,74)(H4,53,54,55)/b21-16+,28-25+/t29-,30-,31-,32+,37-,38-,39+,40-,41-,43+/m0/s1
+CH$LINK: CHEBI 221710
+CH$LINK: PUBCHEM CID:139597972
+CH$LINK: INCHIKEY YCVNLMLOLNNEKI-GJRPNUFSSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 108-1087
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 17.016 min
+MS$FOCUSED_ION: BASE_PEAK 228.1945
+MS$FOCUSED_ION: PRECURSOR_M/Z 1045.5353
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0002-9000000000-3c98d11d1492835ab60e
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  1045.5346 C52H73N10O13+ 1 1045.5353 -0.7
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  1045.5346 13154147 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED206603.txt b/Eawag/MSBNK-EAWAG-ED206603.txt
new file mode 100644
index 0000000000..dfecbc9801
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED206603.txt
@@ -0,0 +1,46 @@
+ACCESSION: MSBNK-EAWAG-ED206603
+RECORD_TITLE: MC-RY; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], K. Thomas [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2066
+CH$NAME: MC-RY
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-8-[3-(diaminomethylideneamino)propyl]-15-[(4-hydroxyphenyl)methyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H72N10O13
+CH$EXACT_MASS: 1044.528032
+CH$SMILES: O=C(N(C)C(C(N[C@@H](C1=O)C)=O)=C)CC[C@H](C(O)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CC3=CC=C(O)C=C3)NC([C@@H](C)[C@H](C(O)=O)NC([C@@H](N1)CCCNC(N)=N)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C52H72N10O13/c1-28(25-29(2)41(75-8)27-34-13-10-9-11-14-34)16-21-37-30(3)44(65)59-39(50(71)72)22-23-42(64)62(7)33(6)47(68)56-32(5)46(67)58-38(15-12-24-55-52(53)54)48(69)61-43(51(73)74)31(4)45(66)60-40(49(70)57-37)26-35-17-19-36(63)20-18-35/h9-11,13-14,16-21,25,29-32,37-41,43,63H,6,12,15,22-24,26-27H2,1-5,7-8H3,(H,56,68)(H,57,70)(H,58,67)(H,59,65)(H,60,66)(H,61,69)(H,71,72)(H,73,74)(H4,53,54,55)/b21-16+,28-25+/t29-,30-,31-,32+,37-,38-,39+,40-,41-,43+/m0/s1
+CH$LINK: CHEBI 221710
+CH$LINK: PUBCHEM CID:139597972
+CH$LINK: INCHIKEY YCVNLMLOLNNEKI-GJRPNUFSSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 108-1087
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 17.016 min
+MS$FOCUSED_ION: BASE_PEAK 228.1945
+MS$FOCUSED_ION: PRECURSOR_M/Z 1045.5353
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0002-9000000000-7b7699723776857423a0
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  1017.5419 C51H73N10O12+ 1 1017.5404 1.44
+  1045.5342 C52H73N10O13+ 1 1045.5353 -1.05
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  1017.5419 248576.3 21
+  1045.5342 11305070 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED206604.txt b/Eawag/MSBNK-EAWAG-ED206604.txt
new file mode 100644
index 0000000000..53a69dfe8d
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED206604.txt
@@ -0,0 +1,58 @@
+ACCESSION: MSBNK-EAWAG-ED206604
+RECORD_TITLE: MC-RY; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], K. Thomas [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2066
+CH$NAME: MC-RY
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-8-[3-(diaminomethylideneamino)propyl]-15-[(4-hydroxyphenyl)methyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H72N10O13
+CH$EXACT_MASS: 1044.528032
+CH$SMILES: O=C(N(C)C(C(N[C@@H](C1=O)C)=O)=C)CC[C@H](C(O)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CC3=CC=C(O)C=C3)NC([C@@H](C)[C@H](C(O)=O)NC([C@@H](N1)CCCNC(N)=N)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C52H72N10O13/c1-28(25-29(2)41(75-8)27-34-13-10-9-11-14-34)16-21-37-30(3)44(65)59-39(50(71)72)22-23-42(64)62(7)33(6)47(68)56-32(5)46(67)58-38(15-12-24-55-52(53)54)48(69)61-43(51(73)74)31(4)45(66)60-40(49(70)57-37)26-35-17-19-36(63)20-18-35/h9-11,13-14,16-21,25,29-32,37-41,43,63H,6,12,15,22-24,26-27H2,1-5,7-8H3,(H,56,68)(H,57,70)(H,58,67)(H,59,65)(H,60,66)(H,61,69)(H,71,72)(H,73,74)(H4,53,54,55)/b21-16+,28-25+/t29-,30-,31-,32+,37-,38-,39+,40-,41-,43+/m0/s1
+CH$LINK: CHEBI 221710
+CH$LINK: PUBCHEM CID:139597972
+CH$LINK: INCHIKEY YCVNLMLOLNNEKI-GJRPNUFSSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 108-1087
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 17.016 min
+MS$FOCUSED_ION: BASE_PEAK 228.1945
+MS$FOCUSED_ION: PRECURSOR_M/Z 1045.5353
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0002-9000000000-8e9816b5ada1bd8f761f
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  135.0804 C9H11O+ 1 135.0804 -0.15
+  163.1113 C11H15O+ 1 163.1117 -2.74
+  213.0858 C7H11N5O3+ 1 213.0856 0.92
+  375.1906 C4H27N10O10+ 7 375.1906 -0.1
+  440.2249 C32H28N2+ 7 440.2247 0.41
+  960.4814 C48H66N9O12+ 3 960.4825 -1.23
+  1017.5407 C51H73N10O12+ 1 1017.5404 0.3
+  1045.5347 C52H73N10O13+ 1 1045.5353 -0.58
+PK$NUM_PEAK: 8
+PK$PEAK: m/z int. rel.int.
+  135.0804 119283.6 24
+  163.1113 74718.2 15
+  213.0858 113872.2 23
+  375.1906 175041.4 36
+  440.2249 274128.4 57
+  960.4814 147060.8 30
+  1017.5407 495182 103
+  1045.5347 4785812 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED206605.txt b/Eawag/MSBNK-EAWAG-ED206605.txt
new file mode 100644
index 0000000000..a9c5530e2f
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED206605.txt
@@ -0,0 +1,94 @@
+ACCESSION: MSBNK-EAWAG-ED206605
+RECORD_TITLE: MC-RY; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], K. Thomas [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2066
+CH$NAME: MC-RY
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-8-[3-(diaminomethylideneamino)propyl]-15-[(4-hydroxyphenyl)methyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H72N10O13
+CH$EXACT_MASS: 1044.528032
+CH$SMILES: O=C(N(C)C(C(N[C@@H](C1=O)C)=O)=C)CC[C@H](C(O)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CC3=CC=C(O)C=C3)NC([C@@H](C)[C@H](C(O)=O)NC([C@@H](N1)CCCNC(N)=N)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C52H72N10O13/c1-28(25-29(2)41(75-8)27-34-13-10-9-11-14-34)16-21-37-30(3)44(65)59-39(50(71)72)22-23-42(64)62(7)33(6)47(68)56-32(5)46(67)58-38(15-12-24-55-52(53)54)48(69)61-43(51(73)74)31(4)45(66)60-40(49(70)57-37)26-35-17-19-36(63)20-18-35/h9-11,13-14,16-21,25,29-32,37-41,43,63H,6,12,15,22-24,26-27H2,1-5,7-8H3,(H,56,68)(H,57,70)(H,58,67)(H,59,65)(H,60,66)(H,61,69)(H,71,72)(H,73,74)(H4,53,54,55)/b21-16+,28-25+/t29-,30-,31-,32+,37-,38-,39+,40-,41-,43+/m0/s1
+CH$LINK: CHEBI 221710
+CH$LINK: PUBCHEM CID:139597972
+CH$LINK: INCHIKEY YCVNLMLOLNNEKI-GJRPNUFSSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 108-1087
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 17.016 min
+MS$FOCUSED_ION: BASE_PEAK 228.1945
+MS$FOCUSED_ION: PRECURSOR_M/Z 1045.5353
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-01ti-0931000000-4099fae0339ad2fce26c
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  112.0866 C5H10N3+ 1 112.0869 -3.3
+  115.0865 C5H11N2O+ 1 115.0866 -0.59
+  117.0698 C9H9+ 1 117.0699 -0.78
+  124.1123 C8H14N+ 1 124.1121 1.7
+  127.0865 C6H11N2O+ 1 127.0866 -0.62
+  135.0803 C9H11O+ 1 135.0804 -0.94
+  135.1166 C10H15+ 1 135.1168 -1.57
+  136.0754 C8H10NO+ 1 136.0757 -2
+  138.0549 C7H8NO2+ 1 138.055 -0.09
+  155.0812 C7H11N2O2+ 1 155.0815 -1.68
+  163.1114 C11H15O+ 1 163.1117 -1.99
+  167.0812 C8H11N2O2+ 1 167.0815 -2.01
+  175.1181 C6H15N4O2+ 3 175.119 -4.66
+  195.0758 C9H11N2O3+ 2 195.0764 -3.02
+  197.1389 C9H17N4O+ 3 197.1397 -4.15
+  211.1179 C8H19O6+ 2 211.1176 1.16
+  213.0858 C7H11N5O3+ 1 213.0856 0.92
+  218.1537 C12H18N4+ 3 218.1526 4.95
+  239.0648 C8H9N5O4+ 2 239.0649 -0.59
+  247.1071 C13H15N2O3+ 2 247.1077 -2.57
+  265.1173 C11H15N5O3+ 2 265.1169 1.27
+  294.1551 C12H24NO7+ 3 294.1547 1.14
+  311.1819 C13H23N6O3+ 3 311.1826 -2.22
+  329.193 C13H25N6O4+ 5 329.1932 -0.47
+  375.1907 C4H27N10O10+ 5 375.1906 0.3
+  440.2244 C32H28N2+ 7 440.2247 -0.63
+PK$NUM_PEAK: 26
+PK$PEAK: m/z int. rel.int.
+  112.0866 95499.1 176
+  115.0865 56290.7 104
+  117.0698 34309.4 63
+  124.1123 12580 23
+  127.0865 374046.4 692
+  135.0803 539877 999
+  135.1166 202033.5 373
+  136.0754 73264.8 135
+  138.0549 25295 46
+  155.0812 254521.1 470
+  163.1114 171165.3 316
+  167.0812 69167.5 127
+  175.1181 150939.5 279
+  195.0758 50498.8 93
+  197.1389 35664 65
+  211.1179 53836 99
+  213.0858 360250 666
+  218.1537 24714.4 45
+  239.0648 91681.8 169
+  247.1071 37045.4 68
+  265.1173 96605.9 178
+  294.1551 154447.1 285
+  311.1819 96849 179
+  329.193 256876.7 475
+  375.1907 78391.6 145
+  440.2244 149478.4 276
+//
diff --git a/Eawag/MSBNK-EAWAG-ED206606.txt b/Eawag/MSBNK-EAWAG-ED206606.txt
new file mode 100644
index 0000000000..dae2b4cd34
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED206606.txt
@@ -0,0 +1,86 @@
+ACCESSION: MSBNK-EAWAG-ED206606
+RECORD_TITLE: MC-RY; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], K. Thomas [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2066
+CH$NAME: MC-RY
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-8-[3-(diaminomethylideneamino)propyl]-15-[(4-hydroxyphenyl)methyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H72N10O13
+CH$EXACT_MASS: 1044.528032
+CH$SMILES: O=C(N(C)C(C(N[C@@H](C1=O)C)=O)=C)CC[C@H](C(O)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CC3=CC=C(O)C=C3)NC([C@@H](C)[C@H](C(O)=O)NC([C@@H](N1)CCCNC(N)=N)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C52H72N10O13/c1-28(25-29(2)41(75-8)27-34-13-10-9-11-14-34)16-21-37-30(3)44(65)59-39(50(71)72)22-23-42(64)62(7)33(6)47(68)56-32(5)46(67)58-38(15-12-24-55-52(53)54)48(69)61-43(51(73)74)31(4)45(66)60-40(49(70)57-37)26-35-17-19-36(63)20-18-35/h9-11,13-14,16-21,25,29-32,37-41,43,63H,6,12,15,22-24,26-27H2,1-5,7-8H3,(H,56,68)(H,57,70)(H,58,67)(H,59,65)(H,60,66)(H,61,69)(H,71,72)(H,73,74)(H4,53,54,55)/b21-16+,28-25+/t29-,30-,31-,32+,37-,38-,39+,40-,41-,43+/m0/s1
+CH$LINK: CHEBI 221710
+CH$LINK: PUBCHEM CID:139597972
+CH$LINK: INCHIKEY YCVNLMLOLNNEKI-GJRPNUFSSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 108-1087
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 17.016 min
+MS$FOCUSED_ION: BASE_PEAK 228.1945
+MS$FOCUSED_ION: PRECURSOR_M/Z 1045.5353
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-002r-0910000000-d69422481e0be85ecf82
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  112.087 C5H10N3+ 1 112.0869 0.44
+  113.0712 C5H9N2O+ 1 113.0709 2.28
+  115.0544 C9H7+ 1 115.0542 1.59
+  115.0868 C5H11N2O+ 1 115.0866 1.4
+  116.0705 C5H10NO2+ 1 116.0706 -0.48
+  117.0698 C9H9+ 1 117.0699 -0.84
+  119.0855 C9H11+ 1 119.0855 -0.15
+  120.0807 C8H10N+ 1 120.0808 -0.86
+  127.0865 C6H11N2O+ 1 127.0866 -0.86
+  131.0854 C10H11+ 1 131.0855 -0.72
+  135.0804 C9H11O+ 1 135.0804 -0.37
+  135.1165 C10H15+ 1 135.1168 -2.36
+  136.0755 C8H10NO+ 1 136.0757 -1.1
+  145.1008 C11H13+ 1 145.1012 -2.63
+  155.0812 C7H11N2O2+ 1 155.0815 -2.08
+  163.1114 C11H15O+ 1 163.1117 -1.9
+  167.0811 C8H11N2O2+ 1 167.0815 -2.47
+  168.0654 C8H10NO3+ 1 168.0655 -0.68
+  213.086 C7H11N5O3+ 2 213.0856 1.57
+  238.1204 C13H18O4+ 2 238.12 1.74
+  239.0651 C8H9N5O4+ 3 239.0649 0.62
+  294.1549 C12H24NO7+ 3 294.1547 0.51
+PK$NUM_PEAK: 22
+PK$PEAK: m/z int. rel.int.
+  112.087 133581.5 179
+  113.0712 47803.8 64
+  115.0544 39266.9 52
+  115.0868 52185.2 70
+  116.0705 20116.2 27
+  117.0698 88051.9 118
+  119.0855 13707.1 18
+  120.0807 22291.3 29
+  127.0865 743202.6 999
+  131.0854 19989.8 26
+  135.0804 622322.1 836
+  135.1165 245863.8 330
+  136.0755 170873.1 229
+  145.1008 14378.2 19
+  155.0812 221349.2 297
+  163.1114 98027.9 131
+  167.0811 102701.2 138
+  168.0654 23867.9 32
+  213.086 260063.9 349
+  238.1204 38642.3 51
+  239.0651 101261.1 136
+  294.1549 50314.8 67
+//
diff --git a/Eawag/MSBNK-EAWAG-ED206607.txt b/Eawag/MSBNK-EAWAG-ED206607.txt
new file mode 100644
index 0000000000..6664d5b3b6
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED206607.txt
@@ -0,0 +1,80 @@
+ACCESSION: MSBNK-EAWAG-ED206607
+RECORD_TITLE: MC-RY; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], K. Thomas [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2066
+CH$NAME: MC-RY
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-8-[3-(diaminomethylideneamino)propyl]-15-[(4-hydroxyphenyl)methyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H72N10O13
+CH$EXACT_MASS: 1044.528032
+CH$SMILES: O=C(N(C)C(C(N[C@@H](C1=O)C)=O)=C)CC[C@H](C(O)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CC3=CC=C(O)C=C3)NC([C@@H](C)[C@H](C(O)=O)NC([C@@H](N1)CCCNC(N)=N)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C52H72N10O13/c1-28(25-29(2)41(75-8)27-34-13-10-9-11-14-34)16-21-37-30(3)44(65)59-39(50(71)72)22-23-42(64)62(7)33(6)47(68)56-32(5)46(67)58-38(15-12-24-55-52(53)54)48(69)61-43(51(73)74)31(4)45(66)60-40(49(70)57-37)26-35-17-19-36(63)20-18-35/h9-11,13-14,16-21,25,29-32,37-41,43,63H,6,12,15,22-24,26-27H2,1-5,7-8H3,(H,56,68)(H,57,70)(H,58,67)(H,59,65)(H,60,66)(H,61,69)(H,71,72)(H,73,74)(H4,53,54,55)/b21-16+,28-25+/t29-,30-,31-,32+,37-,38-,39+,40-,41-,43+/m0/s1
+CH$LINK: CHEBI 221710
+CH$LINK: PUBCHEM CID:139597972
+CH$LINK: INCHIKEY YCVNLMLOLNNEKI-GJRPNUFSSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 108-1087
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 17.016 min
+MS$FOCUSED_ION: BASE_PEAK 228.1945
+MS$FOCUSED_ION: PRECURSOR_M/Z 1045.5353
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-004r-0900000000-26a2f4e6e65061e9ebbe
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  112.0867 C5H10N3+ 1 112.0869 -2.14
+  115.0542 C9H7+ 1 115.0542 -0.2
+  115.0866 C5H11N2O+ 1 115.0866 0.27
+  117.0698 C9H9+ 1 117.0699 -0.45
+  127.0865 C6H11N2O+ 1 127.0866 -1.04
+  131.0859 C10H11+ 1 131.0855 2.54
+  135.0803 C9H11O+ 1 135.0804 -0.94
+  135.1166 C10H15+ 1 135.1168 -1.8
+  136.0756 C8H10NO+ 1 136.0757 -0.65
+  138.0548 C7H8NO2+ 1 138.055 -1.19
+  149.0709 C8H9N2O+ 1 149.0709 -0.47
+  155.0815 C7H11N2O2+ 1 155.0815 -0.31
+  163.1117 C11H15O+ 1 163.1117 -0.03
+  167.0811 C8H11N2O2+ 1 167.0815 -2.37
+  168.0652 C8H10NO3+ 1 168.0655 -1.95
+  175.1189 C6H15N4O2+ 1 175.119 -0.22
+  211.1178 C8H19O6+ 2 211.1176 0.94
+  213.0857 C7H11N5O3+ 1 213.0856 0.06
+  239.0647 C8H9N5O4+ 3 239.0649 -0.66
+PK$NUM_PEAK: 19
+PK$PEAK: m/z int. rel.int.
+  112.0867 137722.9 168
+  115.0542 70462.1 85
+  115.0866 53728.7 65
+  117.0698 128756.6 157
+  127.0865 818642.2 999
+  131.0859 23967.2 29
+  135.0803 438742.2 535
+  135.1166 161848.6 197
+  136.0756 182680.7 222
+  138.0548 40340.5 49
+  149.0709 31399.9 38
+  155.0815 89242.4 108
+  163.1117 33673.9 41
+  167.0811 133988.4 163
+  168.0652 28900.7 35
+  175.1189 37670.2 45
+  211.1178 38607.4 47
+  213.0857 120154.2 146
+  239.0647 32827.2 40
+//
diff --git a/Eawag/MSBNK-EAWAG-ED206608.txt b/Eawag/MSBNK-EAWAG-ED206608.txt
new file mode 100644
index 0000000000..7d8eb09957
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED206608.txt
@@ -0,0 +1,72 @@
+ACCESSION: MSBNK-EAWAG-ED206608
+RECORD_TITLE: MC-RY; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], K. Thomas [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2066
+CH$NAME: MC-RY
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-8-[3-(diaminomethylideneamino)propyl]-15-[(4-hydroxyphenyl)methyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H72N10O13
+CH$EXACT_MASS: 1044.528032
+CH$SMILES: O=C(N(C)C(C(N[C@@H](C1=O)C)=O)=C)CC[C@H](C(O)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CC3=CC=C(O)C=C3)NC([C@@H](C)[C@H](C(O)=O)NC([C@@H](N1)CCCNC(N)=N)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C52H72N10O13/c1-28(25-29(2)41(75-8)27-34-13-10-9-11-14-34)16-21-37-30(3)44(65)59-39(50(71)72)22-23-42(64)62(7)33(6)47(68)56-32(5)46(67)58-38(15-12-24-55-52(53)54)48(69)61-43(51(73)74)31(4)45(66)60-40(49(70)57-37)26-35-17-19-36(63)20-18-35/h9-11,13-14,16-21,25,29-32,37-41,43,63H,6,12,15,22-24,26-27H2,1-5,7-8H3,(H,56,68)(H,57,70)(H,58,67)(H,59,65)(H,60,66)(H,61,69)(H,71,72)(H,73,74)(H4,53,54,55)/b21-16+,28-25+/t29-,30-,31-,32+,37-,38-,39+,40-,41-,43+/m0/s1
+CH$LINK: CHEBI 221710
+CH$LINK: PUBCHEM CID:139597972
+CH$LINK: INCHIKEY YCVNLMLOLNNEKI-GJRPNUFSSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 108-1087
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 17.016 min
+MS$FOCUSED_ION: BASE_PEAK 228.1945
+MS$FOCUSED_ION: PRECURSOR_M/Z 1045.5353
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00p0-0900000000-e610b90241a13cb7d652
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  110.06 C6H8NO+ 1 110.06 -0.14
+  112.0868 C5H10N3+ 1 112.0869 -0.85
+  113.0236 C5H5O3+ 1 113.0233 2.38
+  115.0541 C9H7+ 1 115.0542 -1.06
+  115.087 C5H11N2O+ 1 115.0866 3.46
+  116.0711 C5H10NO2+ 1 116.0706 4.18
+  117.0699 C9H9+ 1 117.0699 -0.06
+  119.0494 C8H7O+ 1 119.0491 2.43
+  127.0865 C6H11N2O+ 1 127.0866 -0.62
+  135.0804 C9H11O+ 1 135.0804 -0.37
+  135.1166 C10H15+ 1 135.1168 -1.91
+  136.0755 C8H10NO+ 1 136.0757 -1.21
+  139.0868 C7H11N2O+ 1 139.0866 1.54
+  167.0808 C8H11N2O2+ 2 167.0815 -4.02
+  195.076 C9H11N2O3+ 2 195.0764 -2.4
+PK$NUM_PEAK: 15
+PK$PEAK: m/z int. rel.int.
+  110.06 11504.1 18
+  112.0868 95015.5 156
+  113.0236 13611 22
+  115.0541 80821.5 133
+  115.087 31532.9 52
+  116.0711 17895.5 29
+  117.0699 115449.1 190
+  119.0494 26327.9 43
+  127.0865 604999.9 999
+  135.0804 214531.4 354
+  135.1166 75318.2 124
+  136.0755 126714.8 209
+  139.0868 19532.9 32
+  167.0808 108045.6 178
+  195.076 34723.1 57
+//
diff --git a/Eawag/MSBNK-EAWAG-ED206609.txt b/Eawag/MSBNK-EAWAG-ED206609.txt
new file mode 100644
index 0000000000..cafe78d979
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED206609.txt
@@ -0,0 +1,68 @@
+ACCESSION: MSBNK-EAWAG-ED206609
+RECORD_TITLE: MC-RY; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], K. Thomas [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2066
+CH$NAME: MC-RY
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-8-[3-(diaminomethylideneamino)propyl]-15-[(4-hydroxyphenyl)methyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H72N10O13
+CH$EXACT_MASS: 1044.528032
+CH$SMILES: O=C(N(C)C(C(N[C@@H](C1=O)C)=O)=C)CC[C@H](C(O)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CC3=CC=C(O)C=C3)NC([C@@H](C)[C@H](C(O)=O)NC([C@@H](N1)CCCNC(N)=N)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C52H72N10O13/c1-28(25-29(2)41(75-8)27-34-13-10-9-11-14-34)16-21-37-30(3)44(65)59-39(50(71)72)22-23-42(64)62(7)33(6)47(68)56-32(5)46(67)58-38(15-12-24-55-52(53)54)48(69)61-43(51(73)74)31(4)45(66)60-40(49(70)57-37)26-35-17-19-36(63)20-18-35/h9-11,13-14,16-21,25,29-32,37-41,43,63H,6,12,15,22-24,26-27H2,1-5,7-8H3,(H,56,68)(H,57,70)(H,58,67)(H,59,65)(H,60,66)(H,61,69)(H,71,72)(H,73,74)(H4,53,54,55)/b21-16+,28-25+/t29-,30-,31-,32+,37-,38-,39+,40-,41-,43+/m0/s1
+CH$LINK: CHEBI 221710
+CH$LINK: PUBCHEM CID:139597972
+CH$LINK: INCHIKEY YCVNLMLOLNNEKI-GJRPNUFSSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 108-1087
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 17.016 min
+MS$FOCUSED_ION: BASE_PEAK 228.1945
+MS$FOCUSED_ION: PRECURSOR_M/Z 1045.5353
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00or-0900000000-9622cedb311154099853
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  109.0649 C7H9O+ 1 109.0648 1.31
+  112.0868 C5H10N3+ 1 112.0869 -1.33
+  115.0544 C9H7+ 1 115.0542 1.19
+  117.07 C9H9+ 1 117.0699 1.05
+  119.0493 C8H7O+ 1 119.0491 1.59
+  123.0913 C7H11N2+ 1 123.0917 -2.81
+  127.0865 C6H11N2O+ 1 127.0866 -0.8
+  135.0802 C9H11O+ 1 135.0804 -1.96
+  135.1168 C10H15+ 1 135.1168 0.01
+  136.0754 C8H10NO+ 1 136.0757 -2
+  149.0712 C8H9N2O+ 1 149.0709 1.48
+  167.0809 C8H11N2O2+ 2 167.0815 -3.56
+  195.0762 C9H11N2O3+ 1 195.0764 -1.15
+PK$NUM_PEAK: 13
+PK$PEAK: m/z int. rel.int.
+  109.0649 22949.6 59
+  112.0868 59530.8 154
+  115.0544 75757.6 196
+  117.07 69831.7 181
+  119.0493 41913.5 108
+  123.0913 9119.8 23
+  127.0865 385156.2 999
+  135.0802 83523.8 216
+  135.1168 29236.1 75
+  136.0754 75421.4 195
+  149.0712 34907.1 90
+  167.0809 67864 176
+  195.0762 17101.1 44
+//
diff --git a/Eawag/MSBNK-EAWAG-ED206651.txt b/Eawag/MSBNK-EAWAG-ED206651.txt
new file mode 100644
index 0000000000..675a90c3b8
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED206651.txt
@@ -0,0 +1,46 @@
+ACCESSION: MSBNK-EAWAG-ED206651
+RECORD_TITLE: MC-RY; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], K. Thomas [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2066
+CH$NAME: MC-RY
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-8-[3-(diaminomethylideneamino)propyl]-15-[(4-hydroxyphenyl)methyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H72N10O13
+CH$EXACT_MASS: 1044.528032
+CH$SMILES: O=C(N(C)C(C(N[C@@H](C1=O)C)=O)=C)CC[C@H](C(O)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CC3=CC=C(O)C=C3)NC([C@@H](C)[C@H](C(O)=O)NC([C@@H](N1)CCCNC(N)=N)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C52H72N10O13/c1-28(25-29(2)41(75-8)27-34-13-10-9-11-14-34)16-21-37-30(3)44(65)59-39(50(71)72)22-23-42(64)62(7)33(6)47(68)56-32(5)46(67)58-38(15-12-24-55-52(53)54)48(69)61-43(51(73)74)31(4)45(66)60-40(49(70)57-37)26-35-17-19-36(63)20-18-35/h9-11,13-14,16-21,25,29-32,37-41,43,63H,6,12,15,22-24,26-27H2,1-5,7-8H3,(H,56,68)(H,57,70)(H,58,67)(H,59,65)(H,60,66)(H,61,69)(H,71,72)(H,73,74)(H4,53,54,55)/b21-16+,28-25+/t29-,30-,31-,32+,37-,38-,39+,40-,41-,43+/m0/s1
+CH$LINK: CHEBI 221710
+CH$LINK: PUBCHEM CID:139597972
+CH$LINK: INCHIKEY YCVNLMLOLNNEKI-GJRPNUFSSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 108-1085
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 16.975 min
+MS$FOCUSED_ION: BASE_PEAK 197.8069
+MS$FOCUSED_ION: PRECURSOR_M/Z 1043.5208
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0006-9000000000-01c66364706baccde857
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  1025.5078 C52H69N10O12- 1 1025.5102 -2.36
+  1043.5213 C52H71N10O13- 1 1043.5208 0.47
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  1025.5078 89833.1 12
+  1043.5213 7409263.5 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED206652.txt b/Eawag/MSBNK-EAWAG-ED206652.txt
new file mode 100644
index 0000000000..3bf4bcd0a2
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED206652.txt
@@ -0,0 +1,46 @@
+ACCESSION: MSBNK-EAWAG-ED206652
+RECORD_TITLE: MC-RY; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], K. Thomas [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2066
+CH$NAME: MC-RY
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-8-[3-(diaminomethylideneamino)propyl]-15-[(4-hydroxyphenyl)methyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H72N10O13
+CH$EXACT_MASS: 1044.528032
+CH$SMILES: O=C(N(C)C(C(N[C@@H](C1=O)C)=O)=C)CC[C@H](C(O)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CC3=CC=C(O)C=C3)NC([C@@H](C)[C@H](C(O)=O)NC([C@@H](N1)CCCNC(N)=N)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C52H72N10O13/c1-28(25-29(2)41(75-8)27-34-13-10-9-11-14-34)16-21-37-30(3)44(65)59-39(50(71)72)22-23-42(64)62(7)33(6)47(68)56-32(5)46(67)58-38(15-12-24-55-52(53)54)48(69)61-43(51(73)74)31(4)45(66)60-40(49(70)57-37)26-35-17-19-36(63)20-18-35/h9-11,13-14,16-21,25,29-32,37-41,43,63H,6,12,15,22-24,26-27H2,1-5,7-8H3,(H,56,68)(H,57,70)(H,58,67)(H,59,65)(H,60,66)(H,61,69)(H,71,72)(H,73,74)(H4,53,54,55)/b21-16+,28-25+/t29-,30-,31-,32+,37-,38-,39+,40-,41-,43+/m0/s1
+CH$LINK: CHEBI 221710
+CH$LINK: PUBCHEM CID:139597972
+CH$LINK: INCHIKEY YCVNLMLOLNNEKI-GJRPNUFSSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 108-1085
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 16.975 min
+MS$FOCUSED_ION: BASE_PEAK 197.8069
+MS$FOCUSED_ION: PRECURSOR_M/Z 1043.5208
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0006-9000000000-e8e0bb9eede0cd0afe10
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  1025.5102 C52H69N10O12- 1 1025.5102 0.02
+  1043.5206 C52H71N10O13- 1 1043.5208 -0.11
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  1025.5102 653927.2 116
+  1043.5206 5587550 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED206653.txt b/Eawag/MSBNK-EAWAG-ED206653.txt
new file mode 100644
index 0000000000..a469837899
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED206653.txt
@@ -0,0 +1,46 @@
+ACCESSION: MSBNK-EAWAG-ED206653
+RECORD_TITLE: MC-RY; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], K. Thomas [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2066
+CH$NAME: MC-RY
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-8-[3-(diaminomethylideneamino)propyl]-15-[(4-hydroxyphenyl)methyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H72N10O13
+CH$EXACT_MASS: 1044.528032
+CH$SMILES: O=C(N(C)C(C(N[C@@H](C1=O)C)=O)=C)CC[C@H](C(O)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CC3=CC=C(O)C=C3)NC([C@@H](C)[C@H](C(O)=O)NC([C@@H](N1)CCCNC(N)=N)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C52H72N10O13/c1-28(25-29(2)41(75-8)27-34-13-10-9-11-14-34)16-21-37-30(3)44(65)59-39(50(71)72)22-23-42(64)62(7)33(6)47(68)56-32(5)46(67)58-38(15-12-24-55-52(53)54)48(69)61-43(51(73)74)31(4)45(66)60-40(49(70)57-37)26-35-17-19-36(63)20-18-35/h9-11,13-14,16-21,25,29-32,37-41,43,63H,6,12,15,22-24,26-27H2,1-5,7-8H3,(H,56,68)(H,57,70)(H,58,67)(H,59,65)(H,60,66)(H,61,69)(H,71,72)(H,73,74)(H4,53,54,55)/b21-16+,28-25+/t29-,30-,31-,32+,37-,38-,39+,40-,41-,43+/m0/s1
+CH$LINK: CHEBI 221710
+CH$LINK: PUBCHEM CID:139597972
+CH$LINK: INCHIKEY YCVNLMLOLNNEKI-GJRPNUFSSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 108-1085
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 16.975 min
+MS$FOCUSED_ION: BASE_PEAK 197.8069
+MS$FOCUSED_ION: PRECURSOR_M/Z 1043.5208
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-002f-9000000000-aa8c77b6640b81a26ee6
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  1025.5094 C52H69N10O12- 1 1025.5102 -0.81
+  1043.5203 C52H71N10O13- 1 1043.5208 -0.46
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  1025.5094 2646430.2 745
+  1043.5203 3548296.8 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED206654.txt b/Eawag/MSBNK-EAWAG-ED206654.txt
new file mode 100644
index 0000000000..0dd0d953ce
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED206654.txt
@@ -0,0 +1,52 @@
+ACCESSION: MSBNK-EAWAG-ED206654
+RECORD_TITLE: MC-RY; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], K. Thomas [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2066
+CH$NAME: MC-RY
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-8-[3-(diaminomethylideneamino)propyl]-15-[(4-hydroxyphenyl)methyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H72N10O13
+CH$EXACT_MASS: 1044.528032
+CH$SMILES: O=C(N(C)C(C(N[C@@H](C1=O)C)=O)=C)CC[C@H](C(O)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CC3=CC=C(O)C=C3)NC([C@@H](C)[C@H](C(O)=O)NC([C@@H](N1)CCCNC(N)=N)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C52H72N10O13/c1-28(25-29(2)41(75-8)27-34-13-10-9-11-14-34)16-21-37-30(3)44(65)59-39(50(71)72)22-23-42(64)62(7)33(6)47(68)56-32(5)46(67)58-38(15-12-24-55-52(53)54)48(69)61-43(51(73)74)31(4)45(66)60-40(49(70)57-37)26-35-17-19-36(63)20-18-35/h9-11,13-14,16-21,25,29-32,37-41,43,63H,6,12,15,22-24,26-27H2,1-5,7-8H3,(H,56,68)(H,57,70)(H,58,67)(H,59,65)(H,60,66)(H,61,69)(H,71,72)(H,73,74)(H4,53,54,55)/b21-16+,28-25+/t29-,30-,31-,32+,37-,38-,39+,40-,41-,43+/m0/s1
+CH$LINK: CHEBI 221710
+CH$LINK: PUBCHEM CID:139597972
+CH$LINK: INCHIKEY YCVNLMLOLNNEKI-GJRPNUFSSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 108-1085
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 16.975 min
+MS$FOCUSED_ION: BASE_PEAK 197.8069
+MS$FOCUSED_ION: PRECURSOR_M/Z 1043.5208
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-004i-9000000000-8988841d600be9d463b9
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  128.0351 C5H6NO3- 1 128.0353 -1.83
+  326.1939 C13H24N7O3- 4 326.1946 -2.33
+  983.4862 C51H67N8O12- 1 983.4884 -2.2
+  1025.5097 C52H69N10O12- 1 1025.5102 -0.46
+  1043.5204 C52H71N10O13- 1 1043.5208 -0.35
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  128.0351 213429.4 74
+  326.1939 91874.1 32
+  983.4862 185912.6 65
+  1025.5097 2855146.2 999
+  1043.5204 699017.4 244
+//
diff --git a/Eawag/MSBNK-EAWAG-ED206655.txt b/Eawag/MSBNK-EAWAG-ED206655.txt
new file mode 100644
index 0000000000..379f7e9b4f
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED206655.txt
@@ -0,0 +1,68 @@
+ACCESSION: MSBNK-EAWAG-ED206655
+RECORD_TITLE: MC-RY; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], K. Thomas [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2066
+CH$NAME: MC-RY
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-8-[3-(diaminomethylideneamino)propyl]-15-[(4-hydroxyphenyl)methyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H72N10O13
+CH$EXACT_MASS: 1044.528032
+CH$SMILES: O=C(N(C)C(C(N[C@@H](C1=O)C)=O)=C)CC[C@H](C(O)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CC3=CC=C(O)C=C3)NC([C@@H](C)[C@H](C(O)=O)NC([C@@H](N1)CCCNC(N)=N)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C52H72N10O13/c1-28(25-29(2)41(75-8)27-34-13-10-9-11-14-34)16-21-37-30(3)44(65)59-39(50(71)72)22-23-42(64)62(7)33(6)47(68)56-32(5)46(67)58-38(15-12-24-55-52(53)54)48(69)61-43(51(73)74)31(4)45(66)60-40(49(70)57-37)26-35-17-19-36(63)20-18-35/h9-11,13-14,16-21,25,29-32,37-41,43,63H,6,12,15,22-24,26-27H2,1-5,7-8H3,(H,56,68)(H,57,70)(H,58,67)(H,59,65)(H,60,66)(H,61,69)(H,71,72)(H,73,74)(H4,53,54,55)/b21-16+,28-25+/t29-,30-,31-,32+,37-,38-,39+,40-,41-,43+/m0/s1
+CH$LINK: CHEBI 221710
+CH$LINK: PUBCHEM CID:139597972
+CH$LINK: INCHIKEY YCVNLMLOLNNEKI-GJRPNUFSSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 108-1085
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 16.975 min
+MS$FOCUSED_ION: BASE_PEAK 197.8069
+MS$FOCUSED_ION: PRECURSOR_M/Z 1043.5208
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-004i-0921000000-6656a89d7e55d2a0f135
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  110.0247 C5H4NO2- 1 110.0248 -0.63
+  119.0502 C8H7O- 1 119.0502 -0.47
+  124.0404 C6H6NO2- 1 124.0404 0.33
+  127.0511 C5H7N2O2- 1 127.0513 -1.94
+  128.0352 C5H6NO3- 1 128.0353 -1
+  166.0983 C8H12N3O- 1 166.0986 -1.84
+  170.0928 C5H10N6O- 2 170.0922 3.7
+  208.1191 C8H18NO5- 2 208.119 0.2
+  211.0719 C7H9N5O3- 2 211.0711 3.94
+  243.1559 C7H17N9O- 3 243.1562 -0.99
+  266.16 C10H18N8O- 3 266.1609 -3.29
+  326.193 C13H24N7O3- 6 326.1946 -4.85
+  1025.5092 C52H69N10O12- 1 1025.5102 -0.93
+PK$NUM_PEAK: 13
+PK$PEAK: m/z int. rel.int.
+  110.0247 92816.3 140
+  119.0502 29355.7 44
+  124.0404 66810.4 101
+  127.0511 26863.9 40
+  128.0352 659643.6 999
+  166.0983 32147.6 48
+  170.0928 36815.6 55
+  208.1191 108829.2 164
+  211.0719 26546.5 40
+  243.1559 48075.3 72
+  266.16 114619.1 173
+  326.193 181021.8 274
+  1025.5092 95326.7 144
+//
diff --git a/Eawag/MSBNK-EAWAG-ED206656.txt b/Eawag/MSBNK-EAWAG-ED206656.txt
new file mode 100644
index 0000000000..4d8166bc07
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED206656.txt
@@ -0,0 +1,90 @@
+ACCESSION: MSBNK-EAWAG-ED206656
+RECORD_TITLE: MC-RY; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], K. Thomas [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2066
+CH$NAME: MC-RY
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-8-[3-(diaminomethylideneamino)propyl]-15-[(4-hydroxyphenyl)methyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H72N10O13
+CH$EXACT_MASS: 1044.528032
+CH$SMILES: O=C(N(C)C(C(N[C@@H](C1=O)C)=O)=C)CC[C@H](C(O)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CC3=CC=C(O)C=C3)NC([C@@H](C)[C@H](C(O)=O)NC([C@@H](N1)CCCNC(N)=N)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C52H72N10O13/c1-28(25-29(2)41(75-8)27-34-13-10-9-11-14-34)16-21-37-30(3)44(65)59-39(50(71)72)22-23-42(64)62(7)33(6)47(68)56-32(5)46(67)58-38(15-12-24-55-52(53)54)48(69)61-43(51(73)74)31(4)45(66)60-40(49(70)57-37)26-35-17-19-36(63)20-18-35/h9-11,13-14,16-21,25,29-32,37-41,43,63H,6,12,15,22-24,26-27H2,1-5,7-8H3,(H,56,68)(H,57,70)(H,58,67)(H,59,65)(H,60,66)(H,61,69)(H,71,72)(H,73,74)(H4,53,54,55)/b21-16+,28-25+/t29-,30-,31-,32+,37-,38-,39+,40-,41-,43+/m0/s1
+CH$LINK: CHEBI 221710
+CH$LINK: PUBCHEM CID:139597972
+CH$LINK: INCHIKEY YCVNLMLOLNNEKI-GJRPNUFSSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 108-1085
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 16.975 min
+MS$FOCUSED_ION: BASE_PEAK 197.8069
+MS$FOCUSED_ION: PRECURSOR_M/Z 1043.5208
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00or-0930000000-16508c7e3d311150ee79
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  110.0247 C5H4NO2- 1 110.0248 -0.36
+  112.0405 C5H6NO2- 1 112.0404 0.5
+  119.0502 C8H7O- 1 119.0502 -0.73
+  123.056 C6H7N2O- 1 123.0564 -3.27
+  124.04 C6H6NO2- 1 124.0404 -3.42
+  127.0513 C5H7N2O2- 1 127.0513 0.22
+  128.0352 C5H6NO3- 1 128.0353 -0.64
+  130.0985 C5H12N3O- 1 130.0986 -0.75
+  137.0721 C7H9N2O- 1 137.072 0.27
+  140.0826 C6H10N3O- 1 140.0829 -2.21
+  141.0665 C6H9N2O2- 1 141.067 -3.12
+  149.0717 C8H9N2O- 1 149.072 -2.38
+  153.0663 C7H9N2O2- 2 153.067 -4.32
+  156.0775 C6H10N3O2- 1 156.0779 -2.46
+  162.0556 C9H8NO2- 1 162.0561 -2.58
+  166.0983 C8H12N3O- 1 166.0986 -1.65
+  167.0822 C8H11N2O2- 1 167.0826 -2.3
+  170.0926 C5H10N6O- 1 170.0922 2.71
+  183.1243 C7H19O5- 3 183.1238 2.79
+  184.1087 C8H14N3O2- 1 184.1092 -2.18
+  201.1344 C7H21O6- 2 201.1344 0.06
+  208.1194 C8H18NO5- 3 208.119 1.74
+  266.161 C11H24NO6- 3 266.1609 0.25
+  284.1713 C10H20N8O2- 3 284.1715 -0.6
+PK$NUM_PEAK: 24
+PK$PEAK: m/z int. rel.int.
+  110.0247 103426 246
+  112.0405 25147.2 59
+  119.0502 52114.2 124
+  123.056 18124.5 43
+  124.04 81352.3 194
+  127.0513 29008.4 69
+  128.0352 418888.3 999
+  130.0985 33414.2 79
+  137.0721 35650.4 85
+  140.0826 32890.7 78
+  141.0665 18659.4 44
+  149.0717 12063.9 28
+  153.0663 56602.2 134
+  156.0775 22409.9 53
+  162.0556 32592.7 77
+  166.0983 87375.7 208
+  167.0822 22419.8 53
+  170.0926 40002.1 95
+  183.1243 44001.4 104
+  184.1087 22147.2 52
+  201.1344 93858.6 223
+  208.1194 107495.4 256
+  266.161 184679.9 440
+  284.1713 71148.2 169
+//
diff --git a/Eawag/MSBNK-EAWAG-ED206657.txt b/Eawag/MSBNK-EAWAG-ED206657.txt
new file mode 100644
index 0000000000..ca836956b5
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED206657.txt
@@ -0,0 +1,80 @@
+ACCESSION: MSBNK-EAWAG-ED206657
+RECORD_TITLE: MC-RY; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], C. O. Miles [dtc], D. G. Beach [dtc], K. Thomas [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2066
+CH$NAME: MC-RY
+CH$NAME: (5R,8S,11R,12S,15S,18S,19S,22R)-8-[3-(diaminomethylideneamino)propyl]-15-[(4-hydroxyphenyl)methyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H72N10O13
+CH$EXACT_MASS: 1044.528032
+CH$SMILES: O=C(N(C)C(C(N[C@@H](C1=O)C)=O)=C)CC[C@H](C(O)=O)NC([C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@@H](OC)CC2=CC=CC=C2)NC([C@H](CC3=CC=C(O)C=C3)NC([C@@H](C)[C@H](C(O)=O)NC([C@@H](N1)CCCNC(N)=N)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C52H72N10O13/c1-28(25-29(2)41(75-8)27-34-13-10-9-11-14-34)16-21-37-30(3)44(65)59-39(50(71)72)22-23-42(64)62(7)33(6)47(68)56-32(5)46(67)58-38(15-12-24-55-52(53)54)48(69)61-43(51(73)74)31(4)45(66)60-40(49(70)57-37)26-35-17-19-36(63)20-18-35/h9-11,13-14,16-21,25,29-32,37-41,43,63H,6,12,15,22-24,26-27H2,1-5,7-8H3,(H,56,68)(H,57,70)(H,58,67)(H,59,65)(H,60,66)(H,61,69)(H,71,72)(H,73,74)(H4,53,54,55)/b21-16+,28-25+/t29-,30-,31-,32+,37-,38-,39+,40-,41-,43+/m0/s1
+CH$LINK: CHEBI 221710
+CH$LINK: PUBCHEM CID:139597972
+CH$LINK: INCHIKEY YCVNLMLOLNNEKI-GJRPNUFSSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 108-1085
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 16.975 min
+MS$FOCUSED_ION: BASE_PEAK 197.8069
+MS$FOCUSED_ION: PRECURSOR_M/Z 1043.5208
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-016r-0910000000-a13568a4d8dc76479577
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  110.0245 C5H4NO2- 1 110.0248 -1.88
+  112.0407 C5H6NO2- 1 112.0404 2.27
+  113.0359 C4H5N2O2- 1 113.0357 1.97
+  119.0501 C8H7O- 1 119.0502 -1.18
+  123.0563 C6H7N2O- 1 123.0564 -0.6
+  124.0402 C6H6NO2- 1 124.0404 -1.52
+  127.0515 C5H7N2O2- 1 127.0513 1.36
+  128.0352 C5H6NO3- 1 128.0353 -0.64
+  130.0981 C5H12N3O- 1 130.0986 -3.91
+  140.0827 C6H10N3O- 1 140.0829 -1.99
+  153.0666 C7H9N2O2- 1 153.067 -2.02
+  156.0775 C6H10N3O2- 1 156.0779 -2.26
+  166.0978 C8H12N3O- 2 166.0986 -4.5
+  170.0929 C5H10N6O- 2 170.0922 4.5
+  181.1092 C8H13N4O- 1 181.1095 -1.51
+  183.124 C7H19O5- 2 183.1238 1.21
+  201.1349 C7H21O6- 3 201.1344 2.49
+  208.1193 C8H18NO5- 2 208.119 1.23
+  266.1617 C11H24NO6- 3 266.1609 3.12
+PK$NUM_PEAK: 19
+PK$PEAK: m/z int. rel.int.
+  110.0245 98334.2 411
+  112.0407 22816.4 95
+  113.0359 34512.3 144
+  119.0501 46920.7 196
+  123.0563 18612 77
+  124.0402 66996 280
+  127.0515 23496.2 98
+  128.0352 238714 999
+  130.0981 45114.8 188
+  140.0827 43363.1 181
+  153.0666 45646 191
+  156.0775 21813.9 91
+  166.0978 131476.8 550
+  170.0929 29124.5 121
+  181.1092 28575.7 119
+  183.124 61058.6 255
+  201.1349 73295.7 306
+  208.1193 28929.4 121
+  266.1617 73626.1 308
+//
diff --git a/Eawag/MSBNK-EAWAG-ED216301.txt b/Eawag/MSBNK-EAWAG-ED216301.txt
new file mode 100644
index 0000000000..b51595123b
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED216301.txt
@@ -0,0 +1,58 @@
+ACCESSION: MSBNK-EAWAG-ED216301
+RECORD_TITLE: Nostocyclopeptide Ncp-E1-L; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md18090442
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2163
+CH$NAME: Nostocyclopeptide Ncp-E1-L
+CH$NAME: 2-(2-(2-amino-3-(4-hydroxyphenyl)propanamido)acetamido)-N1-(1-((3-hydroxy-1-oxo-1-(2-((1-oxo-3-phenylpropan-2-yl)carbamoyl)pyrrolidin-1-yl)propan-2-yl)amino)-3-methyl-1-oxopentan-2-yl)pentanediamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C39H54N8O10
+CH$EXACT_MASS: 794.3962899
+CH$SMILES: O=C(NC(C(NC(C(NC(C(N1C(C(NC(CC2=CC=CC=C2)C([H])=O)=O)CCC1)=O)CO)=O)C(C)CC)=O)CCC(N)=O)CNC(C(CC3=CC=C(O)C=C3)N)=O
+CH$IUPAC: InChI=1S/C39H54N8O10/c1-3-23(2)34(46-36(54)29(15-16-32(41)51)44-33(52)20-42-35(53)28(40)19-25-11-13-27(50)14-12-25)38(56)45-30(22-49)39(57)47-17-7-10-31(47)37(55)43-26(21-48)18-24-8-5-4-6-9-24/h4-6,8-9,11-14,21,23,26,28-31,34,49-50H,3,7,10,15-20,22,40H2,1-2H3,(H2,41,51)(H,42,53)(H,43,55)(H,44,52)(H,45,56)(H,46,54)
+CH$LINK: PUBCHEM CID:155802414
+CH$LINK: INCHIKEY XFONTJUFZVROJR-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 83-832
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.299 min
+MS$FOCUSED_ION: BASE_PEAK 827.4291
+MS$FOCUSED_ION: PRECURSOR_M/Z 795.4036
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-002b-0000000900-c2110b8c41eb0e48d005
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  86.3781 C2H48N+ 1 86.3781 -0.57
+  229.1332 C14H17N2O+ 3 229.1335 -1.31
+  334.1759 C18H20N7+ 5 334.1775 -4.58
+  349.1506 C16H21N4O5+ 5 349.1506 -0.11
+  531.2551 C39H33NO+ 6 531.2557 -0.98
+  532.2407 C25H34N5O8+ 6 532.2402 1.04
+  777.3918 C39H53N8O9+ 1 777.393 -1.59
+  795.4018 C39H55N8O10+ 1 795.4036 -2.24
+PK$NUM_PEAK: 8
+PK$PEAK: m/z int. rel.int.
+  86.3781 938777.1 28
+  229.1332 817516.1 24
+  334.1759 609973.3 18
+  349.1506 337469.2 10
+  531.2551 642792.1 19
+  532.2407 566425.8 17
+  777.3918 19522366 592
+  795.4018 32903102 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED216302.txt b/Eawag/MSBNK-EAWAG-ED216302.txt
new file mode 100644
index 0000000000..30a43100ed
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED216302.txt
@@ -0,0 +1,100 @@
+ACCESSION: MSBNK-EAWAG-ED216302
+RECORD_TITLE: Nostocyclopeptide Ncp-E1-L; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md18090442
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2163
+CH$NAME: Nostocyclopeptide Ncp-E1-L
+CH$NAME: 2-(2-(2-amino-3-(4-hydroxyphenyl)propanamido)acetamido)-N1-(1-((3-hydroxy-1-oxo-1-(2-((1-oxo-3-phenylpropan-2-yl)carbamoyl)pyrrolidin-1-yl)propan-2-yl)amino)-3-methyl-1-oxopentan-2-yl)pentanediamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C39H54N8O10
+CH$EXACT_MASS: 794.3962899
+CH$SMILES: O=C(NC(C(NC(C(NC(C(N1C(C(NC(CC2=CC=CC=C2)C([H])=O)=O)CCC1)=O)CO)=O)C(C)CC)=O)CCC(N)=O)CNC(C(CC3=CC=C(O)C=C3)N)=O
+CH$IUPAC: InChI=1S/C39H54N8O10/c1-3-23(2)34(46-36(54)29(15-16-32(41)51)44-33(52)20-42-35(53)28(40)19-25-11-13-27(50)14-12-25)38(56)45-30(22-49)39(57)47-17-7-10-31(47)37(55)43-26(21-48)18-24-8-5-4-6-9-24/h4-6,8-9,11-14,21,23,26,28-31,34,49-50H,3,7,10,15-20,22,40H2,1-2H3,(H2,41,51)(H,42,53)(H,43,55)(H,44,52)(H,45,56)(H,46,54)
+CH$LINK: PUBCHEM CID:155802414
+CH$LINK: INCHIKEY XFONTJUFZVROJR-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 83-832
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.299 min
+MS$FOCUSED_ION: BASE_PEAK 827.4291
+MS$FOCUSED_ION: PRECURSOR_M/Z 795.4036
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-004j-0022250900-04f388ae030ab2f27eab
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  86.3779 C2H48N+ 1 86.3781 -3.13
+  101.0709 C4H9N2O+ 1 101.0709 -0.66
+  201.1398 CH21N4O7+ 1 201.1405 -3.37
+  229.1335 C14H17N2O+ 2 229.1335 -0.38
+  247.1441 C14H19N2O2+ 2 247.1441 -0.11
+  299.1714 C13H23N4O4+ 5 299.1714 0.2
+  329.1824 C14H25N4O5+ 3 329.1819 1.32
+  334.176 C18H20N7+ 5 334.1775 -4.31
+  349.1505 C16H21N4O5+ 5 349.1506 -0.54
+  391.1612 C18H23N4O6+ 5 391.1612 -0.14
+  401.1454 C19H21N4O6+ 5 401.1456 -0.3
+  418.1716 C18H28NO10+ 5 418.1708 1.95
+  434.2397 C21H32N5O5+ 4 434.2398 -0.21
+  436.1818 C33H24O+ 5 436.1822 -0.96
+  462.2345 C22H32N5O6+ 5 462.2347 -0.43
+  469.2082 C24H29N4O6+ 5 469.2082 0.03
+  486.2343 C38H30+ 6 486.2342 0.19
+  503.2605 C26H37N3O7+ 6 503.2626 -4.22
+  504.2456 C24H34N5O7+ 6 504.2453 0.68
+  514.2292 C39H30O+ 6 514.2291 0.16
+  521.2719 C24H37N6O7+ 6 521.2718 0.2
+  531.2558 C39H33NO+ 5 531.2557 0.28
+  532.2402 C25H34N5O8+ 5 532.2402 0
+  549.2665 C25H37N6O8+ 4 549.2667 -0.43
+  646.3185 C30H44N7O9+ 2 646.3195 -1.59
+  759.383 C39H51N8O8+ 1 759.3824 0.79
+  760.3667 C39H50N7O9+ 1 760.3665 0.29
+  777.3924 C39H53N8O9+ 1 777.393 -0.72
+  795.4029 C39H55N8O10+ 1 795.4036 -0.78
+PK$NUM_PEAK: 29
+PK$PEAK: m/z int. rel.int.
+  86.3779 662175.9 48
+  101.0709 479639.2 35
+  201.1398 151844.7 11
+  229.1335 4546392 333
+  247.1441 1110618.6 81
+  299.1714 201660 14
+  329.1824 177317.6 13
+  334.176 2369370 173
+  349.1505 2821208 207
+  391.1612 219943.3 16
+  401.1454 339049 24
+  418.1716 556925 40
+  434.2397 1123682.1 82
+  436.1818 456542.7 33
+  462.2345 2517530.5 184
+  469.2082 349447.6 25
+  486.2343 293698.6 21
+  503.2605 181658.2 13
+  504.2456 558162.8 40
+  514.2292 1339771.4 98
+  521.2719 577902.6 42
+  531.2558 2170758 159
+  532.2402 2453141.2 180
+  549.2665 5596688.5 410
+  646.3185 233072.1 17
+  759.383 975392.6 71
+  760.3667 776925.2 57
+  777.3924 13608129 999
+  795.4029 7055237 517
+//
diff --git a/Eawag/MSBNK-EAWAG-ED216303.txt b/Eawag/MSBNK-EAWAG-ED216303.txt
new file mode 100644
index 0000000000..59344ccff4
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED216303.txt
@@ -0,0 +1,152 @@
+ACCESSION: MSBNK-EAWAG-ED216303
+RECORD_TITLE: Nostocyclopeptide Ncp-E1-L; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md18090442
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2163
+CH$NAME: Nostocyclopeptide Ncp-E1-L
+CH$NAME: 2-(2-(2-amino-3-(4-hydroxyphenyl)propanamido)acetamido)-N1-(1-((3-hydroxy-1-oxo-1-(2-((1-oxo-3-phenylpropan-2-yl)carbamoyl)pyrrolidin-1-yl)propan-2-yl)amino)-3-methyl-1-oxopentan-2-yl)pentanediamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C39H54N8O10
+CH$EXACT_MASS: 794.3962899
+CH$SMILES: O=C(NC(C(NC(C(NC(C(N1C(C(NC(CC2=CC=CC=C2)C([H])=O)=O)CCC1)=O)CO)=O)C(C)CC)=O)CCC(N)=O)CNC(C(CC3=CC=C(O)C=C3)N)=O
+CH$IUPAC: InChI=1S/C39H54N8O10/c1-3-23(2)34(46-36(54)29(15-16-32(41)51)44-33(52)20-42-35(53)28(40)19-25-11-13-27(50)14-12-25)38(56)45-30(22-49)39(57)47-17-7-10-31(47)37(55)43-26(21-48)18-24-8-5-4-6-9-24/h4-6,8-9,11-14,21,23,26,28-31,34,49-50H,3,7,10,15-20,22,40H2,1-2H3,(H2,41,51)(H,42,53)(H,43,55)(H,44,52)(H,45,56)(H,46,54)
+CH$LINK: PUBCHEM CID:155802414
+CH$LINK: INCHIKEY XFONTJUFZVROJR-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 83-832
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.299 min
+MS$FOCUSED_ION: BASE_PEAK 827.4291
+MS$FOCUSED_ION: PRECURSOR_M/Z 795.4036
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0032-0379450300-000ac107070d3b981ee9
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  84.0444 C4H6NO+ 1 84.0444 -0.05
+  86.0965 C5H12N+ 1 86.0964 1.12
+  86.3779 C2H48N+ 1 86.3781 -2.6
+  101.0709 C4H9N2O+ 1 101.0709 -0.74
+  129.0658 C5H9N2O2+ 1 129.0659 -0.47
+  136.0755 C8H10NO+ 1 136.0757 -1.2
+  150.0912 C9H12NO+ 1 150.0913 -1.15
+  157.097 C7H13N2O2+ 1 157.0972 -0.87
+  185.0919 C8H13N2O3+ 1 185.0921 -0.88
+  186.0871 C7H12N3O3+ 1 186.0873 -1.08
+  197.1289 C10H17N2O2+ 1 197.1285 2.3
+  201.1406 CH21N4O7+ 1 201.1405 0.81
+  214.155 C10H20N3O2+ 1 214.155 0.03
+  221.0923 C11H13N2O3+ 1 221.0921 0.86
+  229.1335 C14H17N2O+ 2 229.1335 -0.31
+  238.1185 C11H16N3O3+ 1 238.1186 -0.44
+  242.1499 C11H20N3O3+ 1 242.1499 -0.19
+  245.0919 C13H13N2O3+ 2 245.0921 -0.79
+  247.1441 C14H19N2O2+ 2 247.1441 -0.11
+  251.1023 C12H15N2O4+ 2 251.1026 -1.15
+  254.15 C12H20N3O3+ 2 254.1499 0.39
+  273.0869 C14H13N2O4+ 3 273.087 -0.39
+  282.1445 C11H18N6O3+ 2 282.1435 3.52
+  290.1132 C14H16N3O4+ 3 290.1135 -1.02
+  299.1717 C13H23N4O4+ 3 299.1714 0.92
+  304.1298 CH20N8O10+ 4 304.1297 0.49
+  311.1713 C14H23N4O4+ 5 311.1714 -0.34
+  321.1558 C15H21N4O4+ 5 321.1557 0.31
+  325.1502 C14H21N4O5+ 3 325.1506 -1.52
+  329.1821 C14H25N4O5+ 5 329.1819 0.39
+  334.176 C18H20N7+ 5 334.1775 -4.4
+  346.1761 C18H24N3O4+ 5 346.1761 -0.03
+  349.1505 C16H21N4O5+ 5 349.1506 -0.54
+  368.1934 C16H26N5O5+ 2 368.1928 1.4
+  369.1767 C16H25N4O6+ 5 369.1769 -0.36
+  373.1511 C18H21N4O5+ 5 373.1506 1.19
+  391.1609 C18H23N4O6+ 5 391.1612 -0.76
+  401.1454 C19H21N4O6+ 5 401.1456 -0.3
+  418.1711 C18H28NO10+ 5 418.1708 0.86
+  434.2397 C21H32N5O5+ 4 434.2398 -0.28
+  436.1824 C33H24O+ 5 436.1822 0.44
+  462.2345 C22H32N5O6+ 5 462.2347 -0.37
+  469.2078 C24H29N4O6+ 5 469.2082 -0.69
+  486.2343 C38H30+ 6 486.2342 0.13
+  503.2614 C26H37N3O7+ 4 503.2626 -2.46
+  504.2455 C24H34N5O7+ 6 504.2453 0.5
+  521.2719 C24H37N6O7+ 4 521.2718 0.08
+  531.2558 C39H33NO+ 5 531.2557 0.28
+  532.2404 C25H34N5O8+ 6 532.2402 0.35
+  549.2666 C25H37N6O8+ 4 549.2667 -0.32
+  646.3174 C30H44N7O9+ 2 646.3195 -3.19
+  759.3824 C39H51N8O8+ 1 759.3824 -0.1
+  760.3673 C39H50N7O9+ 1 760.3665 1.1
+  777.3927 C39H53N8O9+ 1 777.393 -0.41
+  795.405 C39H55N8O10+ 1 795.4036 1.75
+PK$NUM_PEAK: 55
+PK$PEAK: m/z int. rel.int.
+  84.0444 390116.4 62
+  86.0965 123543.7 19
+  86.3779 113868 18
+  101.0709 2248224.8 358
+  129.0658 119854.9 19
+  136.0755 421407.5 67
+  150.0912 124655.2 19
+  157.097 153035.4 24
+  185.0919 471477 75
+  186.0871 403096.1 64
+  197.1289 63376.3 10
+  201.1406 528897.2 84
+  214.155 184595 29
+  221.0923 268145.8 42
+  229.1335 4993863.5 795
+  238.1185 210915.9 33
+  242.1499 188426.4 30
+  245.0919 69628.9 11
+  247.1441 2365470 376
+  251.1023 224473 35
+  254.15 208279.6 33
+  273.0869 619002.2 98
+  282.1445 118482.6 18
+  290.1132 130570.2 20
+  299.1717 437730.2 69
+  304.1298 81078 12
+  311.1713 296901.6 47
+  321.1558 350100.5 55
+  325.1502 79734.1 12
+  329.1821 424667.7 67
+  334.176 2997107.5 477
+  346.1761 78873.8 12
+  349.1505 6268303 999
+  368.1934 257307.8 41
+  369.1767 105829.2 16
+  373.1511 204340 32
+  391.1609 728609.8 116
+  401.1454 731316.4 116
+  418.1711 736657.9 117
+  434.2397 1254256.9 199
+  436.1824 800566.2 127
+  462.2345 1457262.5 232
+  469.2078 892261.3 142
+  486.2343 614884.2 97
+  503.2614 215836.6 34
+  504.2455 1025181.3 163
+  521.2719 546306.2 87
+  531.2558 1233504.1 196
+  532.2404 1583442.8 252
+  549.2666 2369987.8 377
+  646.3174 147088.8 23
+  759.3824 719632.6 114
+  760.3673 455894.8 72
+  777.3927 2416052.8 385
+  795.405 488238.6 77
+//
diff --git a/Eawag/MSBNK-EAWAG-ED216304.txt b/Eawag/MSBNK-EAWAG-ED216304.txt
new file mode 100644
index 0000000000..01ba966326
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED216304.txt
@@ -0,0 +1,154 @@
+ACCESSION: MSBNK-EAWAG-ED216304
+RECORD_TITLE: Nostocyclopeptide Ncp-E1-L; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md18090442
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2163
+CH$NAME: Nostocyclopeptide Ncp-E1-L
+CH$NAME: 2-(2-(2-amino-3-(4-hydroxyphenyl)propanamido)acetamido)-N1-(1-((3-hydroxy-1-oxo-1-(2-((1-oxo-3-phenylpropan-2-yl)carbamoyl)pyrrolidin-1-yl)propan-2-yl)amino)-3-methyl-1-oxopentan-2-yl)pentanediamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C39H54N8O10
+CH$EXACT_MASS: 794.3962899
+CH$SMILES: O=C(NC(C(NC(C(NC(C(N1C(C(NC(CC2=CC=CC=C2)C([H])=O)=O)CCC1)=O)CO)=O)C(C)CC)=O)CCC(N)=O)CNC(C(CC3=CC=C(O)C=C3)N)=O
+CH$IUPAC: InChI=1S/C39H54N8O10/c1-3-23(2)34(46-36(54)29(15-16-32(41)51)44-33(52)20-42-35(53)28(40)19-25-11-13-27(50)14-12-25)38(56)45-30(22-49)39(57)47-17-7-10-31(47)37(55)43-26(21-48)18-24-8-5-4-6-9-24/h4-6,8-9,11-14,21,23,26,28-31,34,49-50H,3,7,10,15-20,22,40H2,1-2H3,(H2,41,51)(H,42,53)(H,43,55)(H,44,52)(H,45,56)(H,46,54)
+CH$LINK: PUBCHEM CID:155802414
+CH$LINK: INCHIKEY XFONTJUFZVROJR-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 83-832
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.299 min
+MS$FOCUSED_ION: BASE_PEAK 827.4291
+MS$FOCUSED_ION: PRECURSOR_M/Z 795.4036
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0f6t-1789210000-023b1922fd4e8b06331e
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  84.0444 C4H6NO+ 1 84.0444 0.22
+  86.0965 C5H12N+ 1 86.0964 0.32
+  101.0709 C4H9N2O+ 1 101.0709 -0.51
+  129.0659 C5H9N2O2+ 1 129.0659 0.36
+  136.0756 C8H10NO+ 1 136.0757 -0.64
+  150.0911 C9H12NO+ 1 150.0913 -1.76
+  157.097 C7H13N2O2+ 1 157.0972 -1.06
+  167.045 C7H7N2O3+ 1 167.0451 -0.79
+  169.0605 C7H9N2O3+ 1 169.0608 -1.73
+  185.092 C8H13N2O3+ 1 185.0921 -0.47
+  186.0872 C7H12N3O3+ 1 186.0873 -0.83
+  193.0973 C10H13N2O2+ 1 193.0972 0.74
+  197.1285 C10H17N2O2+ 1 197.1285 0.44
+  201.1412 CH21N4O7+ 3 201.1405 3.69
+  214.1549 C10H20N3O2+ 1 214.155 -0.54
+  221.0922 C11H13N2O3+ 1 221.0921 0.45
+  223.1077 C11H15N2O3+ 1 223.1077 -0.05
+  229.1336 C14H17N2O+ 2 229.1335 0.09
+  238.1187 C11H16N3O3+ 1 238.1186 0.46
+  242.1499 C11H20N3O3+ 1 242.1499 -0.25
+  245.0923 C13H13N2O3+ 1 245.0921 0.77
+  247.1442 C14H19N2O2+ 2 247.1441 0.26
+  251.1025 C12H15N2O4+ 2 251.1026 -0.6
+  254.1501 C12H20N3O3+ 2 254.1499 0.81
+  273.087 C14H13N2O4+ 4 273.087 0.05
+  280.129 C13H18N3O4+ 2 280.1292 -0.69
+  290.1136 C14H16N3O4+ 5 290.1135 0.35
+  293.1608 C14H21N4O3+ 4 293.1608 -0.14
+  299.1715 C13H23N4O4+ 5 299.1714 0.51
+  304.1298 CH20N8O10+ 4 304.1297 0.39
+  311.1712 C14H23N4O4+ 5 311.1714 -0.53
+  312.155 C14H22N3O5+ 2 312.1554 -1.24
+  316.1651 C15H20N6O2+ 3 316.1642 2.89
+  319.1649 C17H23N2O4+ 3 319.1652 -1.16
+  321.1557 C15H21N4O4+ 5 321.1557 -0.07
+  325.1501 C14H21N4O5+ 3 325.1506 -1.61
+  329.1822 C14H25N4O5+ 5 329.1819 0.67
+  334.1763 C18H20N7+ 5 334.1775 -3.57
+  346.1762 C18H24N3O4+ 5 346.1761 0.15
+  349.1505 C16H21N4O5+ 5 349.1506 -0.28
+  368.1931 C16H26N5O5+ 4 368.1928 0.57
+  373.1512 C18H21N4O5+ 5 373.1506 1.36
+  391.1611 C18H23N4O6+ 5 391.1612 -0.37
+  401.1455 C19H21N4O6+ 5 401.1456 -0.08
+  417.213 C21H29N4O5+ 5 417.2132 -0.58
+  434.2398 C21H32N5O5+ 4 434.2398 0
+  436.1823 C33H24O+ 5 436.1822 0.3
+  462.2346 C22H32N5O6+ 5 462.2347 -0.17
+  469.2082 C24H29N4O6+ 5 469.2082 0.16
+  504.2457 C24H34N5O7+ 6 504.2453 0.8
+  514.2293 C39H30O+ 6 514.2291 0.4
+  521.2719 C24H37N6O7+ 4 521.2718 0.08
+  531.2558 C39H33NO+ 5 531.2557 0.28
+  532.2407 C25H34N5O8+ 6 532.2402 0.92
+  549.2665 C25H37N6O8+ 4 549.2667 -0.43
+  777.3942 C39H53N8O9+ 1 777.393 1.56
+PK$NUM_PEAK: 56
+PK$PEAK: m/z int. rel.int.
+  84.0444 1033727.1 189
+  86.0965 302817 55
+  101.0709 4318747 793
+  129.0659 124529.6 22
+  136.0756 1330421.9 244
+  150.0911 211932.2 38
+  157.097 487498.2 89
+  167.045 63081.2 11
+  169.0605 88960.3 16
+  185.092 789485.4 145
+  186.0872 811439.9 149
+  193.0973 124824.1 22
+  197.1285 317391.6 58
+  201.1412 829560.1 152
+  214.1549 307114.4 56
+  221.0922 689570.4 126
+  223.1077 275844.3 50
+  229.1336 2385724 438
+  238.1187 676206.2 124
+  242.1499 214679 39
+  245.0923 247464.8 45
+  247.1442 2767140.5 508
+  251.1025 327345.4 60
+  254.1501 371366.5 68
+  273.087 1073153 197
+  280.129 92032.3 16
+  290.1136 217656 40
+  293.1608 55360.1 10
+  299.1715 288470.1 53
+  304.1298 179794.6 33
+  311.1712 440015.5 80
+  312.155 482775.5 88
+  316.1651 107208.3 19
+  319.1649 100554.5 18
+  321.1557 636953.1 117
+  325.1501 207348.1 38
+  329.1822 312845.4 57
+  334.1763 1616910.1 297
+  346.1762 66414.5 12
+  349.1505 5435308 999
+  368.1931 225060.4 41
+  373.1512 260640.3 47
+  391.1611 827332.1 152
+  401.1455 363017.3 66
+  417.213 389733.9 71
+  434.2398 545331.6 100
+  436.1823 416262 76
+  462.2346 418118.9 76
+  469.2082 500219.1 91
+  504.2457 534153.8 98
+  514.2293 448423.7 82
+  521.2719 148423.9 27
+  531.2558 273271.8 50
+  532.2407 356561.2 65
+  549.2665 448747.5 82
+  777.3942 116199.2 21
+//
diff --git a/Eawag/MSBNK-EAWAG-ED216305.txt b/Eawag/MSBNK-EAWAG-ED216305.txt
new file mode 100644
index 0000000000..4ecf5f444a
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED216305.txt
@@ -0,0 +1,144 @@
+ACCESSION: MSBNK-EAWAG-ED216305
+RECORD_TITLE: Nostocyclopeptide Ncp-E1-L; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md18090442
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2163
+CH$NAME: Nostocyclopeptide Ncp-E1-L
+CH$NAME: 2-(2-(2-amino-3-(4-hydroxyphenyl)propanamido)acetamido)-N1-(1-((3-hydroxy-1-oxo-1-(2-((1-oxo-3-phenylpropan-2-yl)carbamoyl)pyrrolidin-1-yl)propan-2-yl)amino)-3-methyl-1-oxopentan-2-yl)pentanediamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C39H54N8O10
+CH$EXACT_MASS: 794.3962899
+CH$SMILES: O=C(NC(C(NC(C(NC(C(N1C(C(NC(CC2=CC=CC=C2)C([H])=O)=O)CCC1)=O)CO)=O)C(C)CC)=O)CCC(N)=O)CNC(C(CC3=CC=C(O)C=C3)N)=O
+CH$IUPAC: InChI=1S/C39H54N8O10/c1-3-23(2)34(46-36(54)29(15-16-32(41)51)44-33(52)20-42-35(53)28(40)19-25-11-13-27(50)14-12-25)38(56)45-30(22-49)39(57)47-17-7-10-31(47)37(55)43-26(21-48)18-24-8-5-4-6-9-24/h4-6,8-9,11-14,21,23,26,28-31,34,49-50H,3,7,10,15-20,22,40H2,1-2H3,(H2,41,51)(H,42,53)(H,43,55)(H,44,52)(H,45,56)(H,46,54)
+CH$LINK: PUBCHEM CID:155802414
+CH$LINK: INCHIKEY XFONTJUFZVROJR-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 83-832
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.299 min
+MS$FOCUSED_ION: BASE_PEAK 827.4291
+MS$FOCUSED_ION: PRECURSOR_M/Z 795.4036
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0udr-2951000000-f1421ec6ca5b7a0af200
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  84.0444 C4H6NO+ 1 84.0444 0.22
+  86.0964 C5H12N+ 1 86.0964 -0.03
+  91.0543 C7H7+ 1 91.0542 1.25
+  101.0709 C4H9N2O+ 1 101.0709 -0.51
+  107.049 C7H7O+ 1 107.0491 -1.02
+  129.0657 C5H9N2O2+ 1 129.0659 -1.3
+  132.0806 C9H10N+ 1 132.0808 -1.49
+  136.0756 C8H10NO+ 1 136.0757 -0.86
+  141.0659 C6H9N2O2+ 1 141.0659 0.09
+  147.0441 C9H7O2+ 1 147.0441 0.04
+  148.0755 C9H10NO+ 1 148.0757 -1.41
+  150.0912 C9H12NO+ 1 150.0913 -0.74
+  157.0971 C7H13N2O2+ 1 157.0972 -0.58
+  167.0451 C7H7N2O3+ 1 167.0451 0.03
+  167.0816 C8H11N2O2+ 1 167.0815 0.53
+  169.0608 C7H9N2O3+ 1 169.0608 0.35
+  178.0861 C10H12NO2+ 1 178.0863 -1
+  185.092 C8H13N2O3+ 1 185.0921 -0.47
+  186.0872 C7H12N3O3+ 1 186.0873 -0.5
+  193.0971 C10H13N2O2+ 1 193.0972 -0.05
+  196.1443 C10H18N3O+ 1 196.1444 -0.62
+  197.1285 C10H17N2O2+ 1 197.1285 -0.02
+  201.1409 CH21N4O7+ 3 201.1405 2.17
+  204.0648 C11H10NO3+ 2 204.0655 -3.4
+  214.1552 C10H20N3O2+ 1 214.155 0.88
+  217.0969 C12H13N2O2+ 2 217.0972 -1.39
+  221.0922 C11H13N2O3+ 1 221.0921 0.38
+  223.1078 C11H15N2O3+ 1 223.1077 0.57
+  225.1236 C11H17N2O3+ 1 225.1234 1.09
+  229.1337 C14H17N2O+ 2 229.1335 0.89
+  238.1187 C11H16N3O3+ 1 238.1186 0.46
+  242.1502 C11H20N3O3+ 2 242.1499 1.01
+  245.0922 C13H13N2O3+ 1 245.0921 0.52
+  247.1442 C14H19N2O2+ 2 247.1441 0.2
+  251.1029 C12H15N2O4+ 2 251.1026 1.04
+  254.15 C12H20N3O3+ 2 254.1499 0.39
+  263.1025 C13H15N2O4+ 2 263.1026 -0.69
+  273.0871 C14H13N2O4+ 3 273.087 0.28
+  280.1293 C13H18N3O4+ 3 280.1292 0.5
+  293.1606 C14H21N4O3+ 3 293.1608 -0.66
+  294.1447 C14H20N3O4+ 3 294.1448 -0.59
+  311.1716 C14H23N4O4+ 5 311.1714 0.55
+  312.1553 C14H22N3O5+ 4 312.1554 -0.46
+  321.1559 C15H21N4O4+ 5 321.1557 0.4
+  325.1512 C14H21N4O5+ 3 325.1506 1.77
+  329.1817 C14H25N4O5+ 5 329.1819 -0.63
+  332.1239 C16H18N3O5+ 4 332.1241 -0.66
+  349.1506 C16H21N4O5+ 5 349.1506 -0.19
+  369.177 C16H25N4O6+ 5 369.1769 0.3
+  391.1612 C18H23N4O6+ 5 391.1612 -0.06
+  417.2136 C21H29N4O5+ 5 417.2132 0.95
+PK$NUM_PEAK: 51
+PK$PEAK: m/z int. rel.int.
+  84.0444 3141255.8 450
+  86.0964 888390.1 127
+  91.0543 90400.6 12
+  101.0709 6969061 999
+  107.049 180289.3 25
+  129.0657 262792.6 37
+  132.0806 114903.8 16
+  136.0756 4301440.5 616
+  141.0659 82375.8 11
+  147.0441 156203.2 22
+  148.0755 238098.2 34
+  150.0912 257917.1 36
+  157.0971 1155102 165
+  167.0451 192014.5 27
+  167.0816 101781.8 14
+  169.0608 367364.6 52
+  178.0861 200156.1 28
+  185.092 528519.4 75
+  186.0872 1211248.5 173
+  193.0971 578763.4 82
+  196.1443 323591 46
+  197.1285 1018192.8 145
+  201.1409 1179165.4 169
+  204.0648 78715.8 11
+  214.1552 323576.5 46
+  217.0969 102564.6 14
+  221.0922 1465242.9 210
+  223.1078 604399.9 86
+  225.1236 299154.9 42
+  229.1337 593223.6 85
+  238.1187 1415362.5 202
+  242.1502 133435.5 19
+  245.0922 444253.7 63
+  247.1442 2316610.5 332
+  251.1029 257877.8 36
+  254.15 463529.3 66
+  263.1025 140584.3 20
+  273.0871 509875.1 73
+  280.1293 246766.9 35
+  293.1606 93297.5 13
+  294.1447 152557.6 21
+  311.1716 372391.5 53
+  312.1553 488881.6 70
+  321.1559 470032.7 67
+  325.1512 86569 12
+  329.1817 80785 11
+  332.1239 253246.6 36
+  349.1506 1408713 201
+  369.177 139742.5 20
+  391.1612 184396.5 26
+  417.2136 134677.9 19
+//
diff --git a/Eawag/MSBNK-EAWAG-ED216306.txt b/Eawag/MSBNK-EAWAG-ED216306.txt
new file mode 100644
index 0000000000..50c6485d55
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED216306.txt
@@ -0,0 +1,138 @@
+ACCESSION: MSBNK-EAWAG-ED216306
+RECORD_TITLE: Nostocyclopeptide Ncp-E1-L; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md18090442
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2163
+CH$NAME: Nostocyclopeptide Ncp-E1-L
+CH$NAME: 2-(2-(2-amino-3-(4-hydroxyphenyl)propanamido)acetamido)-N1-(1-((3-hydroxy-1-oxo-1-(2-((1-oxo-3-phenylpropan-2-yl)carbamoyl)pyrrolidin-1-yl)propan-2-yl)amino)-3-methyl-1-oxopentan-2-yl)pentanediamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C39H54N8O10
+CH$EXACT_MASS: 794.3962899
+CH$SMILES: O=C(NC(C(NC(C(NC(C(N1C(C(NC(CC2=CC=CC=C2)C([H])=O)=O)CCC1)=O)CO)=O)C(C)CC)=O)CCC(N)=O)CNC(C(CC3=CC=C(O)C=C3)N)=O
+CH$IUPAC: InChI=1S/C39H54N8O10/c1-3-23(2)34(46-36(54)29(15-16-32(41)51)44-33(52)20-42-35(53)28(40)19-25-11-13-27(50)14-12-25)38(56)45-30(22-49)39(57)47-17-7-10-31(47)37(55)43-26(21-48)18-24-8-5-4-6-9-24/h4-6,8-9,11-14,21,23,26,28-31,34,49-50H,3,7,10,15-20,22,40H2,1-2H3,(H2,41,51)(H,42,53)(H,43,55)(H,44,52)(H,45,56)(H,46,54)
+CH$LINK: PUBCHEM CID:155802414
+CH$LINK: INCHIKEY XFONTJUFZVROJR-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 83-832
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.299 min
+MS$FOCUSED_ION: BASE_PEAK 827.4291
+MS$FOCUSED_ION: PRECURSOR_M/Z 795.4036
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0f80-3920000000-a59a2ae2e522e0b8bf0e
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  84.0444 C4H6NO+ 1 84.0444 0.13
+  86.0964 C5H12N+ 1 86.0964 -0.21
+  91.0543 C7H7+ 1 91.0542 0.58
+  101.0709 C4H9N2O+ 1 101.0709 -0.59
+  107.0491 C7H7O+ 1 107.0491 -0.59
+  110.0837 C6H10N2+ 1 110.0838 -1.38
+  119.049 C8H7O+ 1 119.0491 -1.11
+  129.0658 C5H9N2O2+ 1 129.0659 -0.71
+  132.0806 C9H10N+ 1 132.0808 -1.03
+  133.0644 C9H9O+ 1 133.0648 -3.21
+  136.0756 C8H10NO+ 1 136.0757 -0.97
+  141.0657 C6H9N2O2+ 1 141.0659 -0.99
+  147.044 C9H7O2+ 1 147.0441 -0.58
+  148.0756 C9H10NO+ 1 148.0757 -0.69
+  150.0913 C9H12NO+ 1 150.0913 -0.13
+  152.0343 C7H6NO3+ 1 152.0342 0.59
+  157.0971 C7H13N2O2+ 1 157.0972 -0.29
+  158.0929 C6H12N3O2+ 1 158.0924 3.25
+  160.0757 C10H10NO+ 1 160.0757 0.14
+  167.0452 C7H7N2O3+ 1 167.0451 0.3
+  167.081 C8H11N2O2+ 1 167.0815 -2.85
+  169.0606 C7H9N2O3+ 1 169.0608 -0.74
+  169.1333 C9H17N2O+ 1 169.1335 -1.47
+  176.0705 C10H10NO2+ 1 176.0706 -0.8
+  178.0862 C10H12NO2+ 1 178.0863 -0.4
+  185.0914 C8H13N2O3+ 2 185.0921 -3.76
+  186.0872 C7H12N3O3+ 1 186.0873 -0.42
+  189.102 C11H13N2O+ 1 189.1022 -1.5
+  193.0971 C10H13N2O2+ 1 193.0972 -0.05
+  196.1443 C10H18N3O+ 1 196.1444 -0.78
+  197.1284 C10H17N2O2+ 1 197.1285 -0.41
+  201.1401 CH21N4O7+ 1 201.1405 -2.08
+  204.0655 C11H10NO3+ 1 204.0655 -0.26
+  214.1549 C10H20N3O2+ 1 214.155 -0.33
+  217.0975 C12H13N2O2+ 1 217.0972 1.49
+  221.0921 C11H13N2O3+ 1 221.0921 0.1
+  223.1078 C11H15N2O3+ 1 223.1077 0.23
+  225.1236 C11H17N2O3+ 1 225.1234 0.96
+  229.1337 C14H17N2O+ 2 229.1335 0.82
+  237.1233 C12H17N2O3+ 1 237.1234 -0.21
+  238.1186 C11H16N3O3+ 1 238.1186 -0.12
+  247.1441 C14H19N2O2+ 2 247.1441 -0.11
+  251.1022 C12H15N2O4+ 2 251.1026 -1.88
+  254.1499 C12H20N3O3+ 1 254.1499 -0.03
+  280.129 C13H18N3O4+ 2 280.1292 -0.59
+  294.1448 C14H20N3O4+ 5 294.1448 -0.18
+  311.171 C14H23N4O4+ 3 311.1714 -1.32
+  312.1552 C14H22N3O5+ 4 312.1554 -0.65
+PK$NUM_PEAK: 48
+PK$PEAK: m/z int. rel.int.
+  84.0444 5146947.5 832
+  86.0964 1245226.6 201
+  91.0543 259092.4 41
+  101.0709 5312436.5 859
+  107.0491 255510.5 41
+  110.0837 71240.7 11
+  119.049 235167.8 38
+  129.0658 650362.8 105
+  132.0806 219243 35
+  133.0644 83579.2 13
+  136.0756 6178129.5 999
+  141.0657 170824.5 27
+  147.044 292237 47
+  148.0756 545044.9 88
+  150.0913 223966.1 36
+  152.0343 144382.9 23
+  157.0971 679572.5 109
+  158.0929 94429.5 15
+  160.0757 121837.3 19
+  167.0452 154856.4 25
+  167.081 132677.6 21
+  169.0606 489939.4 79
+  169.1333 102535.1 16
+  176.0705 96504.5 15
+  178.0862 370340.1 59
+  185.0914 118588.3 19
+  186.0872 597891.8 96
+  189.102 119894.1 19
+  193.0971 782546.1 126
+  196.1443 414989.3 67
+  197.1284 1102119.9 178
+  201.1401 779100.3 125
+  204.0655 84957.7 13
+  214.1549 211254.4 34
+  217.0975 105289.7 17
+  221.0921 1023449.6 165
+  223.1078 476249.7 77
+  225.1236 260612.4 42
+  229.1337 115590.3 18
+  237.1233 122916.1 19
+  238.1186 628065.7 101
+  247.1441 811762.4 131
+  251.1022 82684.6 13
+  254.1499 239661.7 38
+  280.129 89358.4 14
+  294.1448 79765 12
+  311.171 88997.9 14
+  312.1552 204728.5 33
+//
diff --git a/Eawag/MSBNK-EAWAG-ED216307.txt b/Eawag/MSBNK-EAWAG-ED216307.txt
new file mode 100644
index 0000000000..cb2566c94c
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED216307.txt
@@ -0,0 +1,116 @@
+ACCESSION: MSBNK-EAWAG-ED216307
+RECORD_TITLE: Nostocyclopeptide Ncp-E1-L; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md18090442
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2163
+CH$NAME: Nostocyclopeptide Ncp-E1-L
+CH$NAME: 2-(2-(2-amino-3-(4-hydroxyphenyl)propanamido)acetamido)-N1-(1-((3-hydroxy-1-oxo-1-(2-((1-oxo-3-phenylpropan-2-yl)carbamoyl)pyrrolidin-1-yl)propan-2-yl)amino)-3-methyl-1-oxopentan-2-yl)pentanediamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C39H54N8O10
+CH$EXACT_MASS: 794.3962899
+CH$SMILES: O=C(NC(C(NC(C(NC(C(N1C(C(NC(CC2=CC=CC=C2)C([H])=O)=O)CCC1)=O)CO)=O)C(C)CC)=O)CCC(N)=O)CNC(C(CC3=CC=C(O)C=C3)N)=O
+CH$IUPAC: InChI=1S/C39H54N8O10/c1-3-23(2)34(46-36(54)29(15-16-32(41)51)44-33(52)20-42-35(53)28(40)19-25-11-13-27(50)14-12-25)38(56)45-30(22-49)39(57)47-17-7-10-31(47)37(55)43-26(21-48)18-24-8-5-4-6-9-24/h4-6,8-9,11-14,21,23,26,28-31,34,49-50H,3,7,10,15-20,22,40H2,1-2H3,(H2,41,51)(H,42,53)(H,43,55)(H,44,52)(H,45,56)(H,46,54)
+CH$LINK: PUBCHEM CID:155802414
+CH$LINK: INCHIKEY XFONTJUFZVROJR-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 83-832
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.299 min
+MS$FOCUSED_ION: BASE_PEAK 827.4291
+MS$FOCUSED_ION: PRECURSOR_M/Z 795.4036
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0019-4900000000-5cca55578ef7bb400e7a
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  84.0444 C4H6NO+ 1 84.0444 -0.05
+  86.0964 C5H12N+ 1 86.0964 -0.21
+  91.0542 C7H7+ 1 91.0542 -0.01
+  96.0442 C5H6NO+ 1 96.0444 -1.47
+  101.0709 C4H9N2O+ 1 101.0709 -0.59
+  107.0491 C7H7O+ 1 107.0491 -0.66
+  110.0839 C6H10N2+ 1 110.0838 0.36
+  119.049 C8H7O+ 1 119.0491 -1.04
+  121.0647 C8H9O+ 1 121.0648 -1.07
+  124.0395 C6H6NO2+ 1 124.0393 1.92
+  129.0658 C5H9N2O2+ 1 129.0659 -0.71
+  132.0807 C9H10N+ 1 132.0808 -0.56
+  133.0644 C9H9O+ 1 133.0648 -3.21
+  136.0755 C8H10NO+ 1 136.0757 -1.09
+  141.0656 C6H9N2O2+ 1 141.0659 -1.97
+  147.0439 C9H7O2+ 1 147.0441 -1.2
+  148.0756 C9H10NO+ 1 148.0757 -0.8
+  150.0914 C9H12NO+ 1 150.0913 0.48
+  152.034 C7H6NO3+ 1 152.0342 -1.62
+  157.097 C7H13N2O2+ 1 157.0972 -1.26
+  160.0757 C10H10NO+ 1 160.0757 -0.24
+  167.0815 C8H11N2O2+ 1 167.0815 0.25
+  169.0608 C7H9N2O3+ 1 169.0608 -0.01
+  169.1328 C9H17N2O+ 2 169.1335 -4.44
+  176.0704 C10H10NO2+ 1 176.0706 -1.32
+  178.0862 C10H12NO2+ 1 178.0863 -0.31
+  186.0872 C7H12N3O3+ 1 186.0873 -0.5
+  189.1021 C11H13N2O+ 1 189.1022 -0.69
+  193.0971 C10H13N2O2+ 1 193.0972 -0.37
+  196.1443 C10H18N3O+ 1 196.1444 -0.93
+  197.1283 C10H17N2O2+ 1 197.1285 -0.72
+  221.0922 C11H13N2O3+ 1 221.0921 0.79
+  223.1079 C11H15N2O3+ 1 223.1077 0.71
+  225.1235 C11H17N2O3+ 1 225.1234 0.55
+  237.1234 C12H17N2O3+ 1 237.1234 0.24
+  238.119 C11H16N3O3+ 2 238.1186 1.54
+  247.1441 C14H19N2O2+ 2 247.1441 0.07
+PK$NUM_PEAK: 37
+PK$PEAK: m/z int. rel.int.
+  84.0444 7154757.5 902
+  86.0964 1415749.9 178
+  91.0542 750972.6 94
+  96.0442 108679.6 13
+  101.0709 3425745 432
+  107.0491 299023.5 37
+  110.0839 145913.6 18
+  119.049 642018.2 81
+  121.0647 97957.7 12
+  124.0395 98316.7 12
+  129.0658 779976.8 98
+  132.0807 214997.3 27
+  133.0644 145262.4 18
+  136.0755 7917292.5 999
+  141.0656 214077.6 27
+  147.0439 347747.4 43
+  148.0756 756266.3 95
+  150.0914 179770.7 22
+  152.034 268684.2 33
+  157.097 249410.9 31
+  160.0757 172629.2 21
+  167.0815 95646.9 12
+  169.0608 355787.3 44
+  169.1328 93245.9 11
+  176.0704 104196.7 13
+  178.0862 301742.5 38
+  186.0872 188385.5 23
+  189.1021 121473 15
+  193.0971 526495.6 66
+  196.1443 311209.3 39
+  197.1283 749949.6 94
+  221.0922 379133.2 47
+  223.1079 268218.1 33
+  225.1235 110196.5 13
+  237.1234 127484.2 16
+  238.119 119489.9 15
+  247.1441 164698.8 20
+//
diff --git a/Eawag/MSBNK-EAWAG-ED216308.txt b/Eawag/MSBNK-EAWAG-ED216308.txt
new file mode 100644
index 0000000000..332d7ef756
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED216308.txt
@@ -0,0 +1,96 @@
+ACCESSION: MSBNK-EAWAG-ED216308
+RECORD_TITLE: Nostocyclopeptide Ncp-E1-L; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md18090442
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2163
+CH$NAME: Nostocyclopeptide Ncp-E1-L
+CH$NAME: 2-(2-(2-amino-3-(4-hydroxyphenyl)propanamido)acetamido)-N1-(1-((3-hydroxy-1-oxo-1-(2-((1-oxo-3-phenylpropan-2-yl)carbamoyl)pyrrolidin-1-yl)propan-2-yl)amino)-3-methyl-1-oxopentan-2-yl)pentanediamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C39H54N8O10
+CH$EXACT_MASS: 794.3962899
+CH$SMILES: O=C(NC(C(NC(C(NC(C(N1C(C(NC(CC2=CC=CC=C2)C([H])=O)=O)CCC1)=O)CO)=O)C(C)CC)=O)CCC(N)=O)CNC(C(CC3=CC=C(O)C=C3)N)=O
+CH$IUPAC: InChI=1S/C39H54N8O10/c1-3-23(2)34(46-36(54)29(15-16-32(41)51)44-33(52)20-42-35(53)28(40)19-25-11-13-27(50)14-12-25)38(56)45-30(22-49)39(57)47-17-7-10-31(47)37(55)43-26(21-48)18-24-8-5-4-6-9-24/h4-6,8-9,11-14,21,23,26,28-31,34,49-50H,3,7,10,15-20,22,40H2,1-2H3,(H2,41,51)(H,42,53)(H,43,55)(H,44,52)(H,45,56)(H,46,54)
+CH$LINK: PUBCHEM CID:155802414
+CH$LINK: INCHIKEY XFONTJUFZVROJR-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 83-832
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.299 min
+MS$FOCUSED_ION: BASE_PEAK 827.4291
+MS$FOCUSED_ION: PRECURSOR_M/Z 795.4036
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0019-7900000000-d2145279ea83762b5fee
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  84.0444 C4H6NO+ 1 84.0444 -0.05
+  86.0964 C5H12N+ 1 86.0964 -0.3
+  91.0542 C7H7+ 1 91.0542 -0.09
+  96.0443 C5H6NO+ 1 96.0444 -0.75
+  101.0709 C4H9N2O+ 1 101.0709 -0.59
+  107.0491 C7H7O+ 1 107.0491 -0.52
+  110.084 C6H10N2+ 1 110.0838 1.26
+  119.0491 C8H7O+ 1 119.0491 -0.66
+  121.0648 C8H9O+ 1 121.0648 0
+  124.0392 C6H6NO2+ 1 124.0393 -0.72
+  129.0657 C5H9N2O2+ 1 129.0659 -1.06
+  132.0808 C9H10N+ 1 132.0808 -0.1
+  133.0646 C9H9O+ 1 133.0648 -1.37
+  136.0755 C8H10NO+ 1 136.0757 -1.09
+  141.0659 C6H9N2O2+ 1 141.0659 0.31
+  147.0438 C9H7O2+ 1 147.0441 -1.62
+  148.0755 C9H10NO+ 1 148.0757 -1.21
+  150.091 C9H12NO+ 1 150.0913 -2.06
+  152.034 C7H6NO3+ 1 152.0342 -1.42
+  160.0756 C10H10NO+ 1 160.0757 -0.53
+  169.0606 C7H9N2O3+ 1 169.0608 -0.92
+  178.0861 C10H12NO2+ 1 178.0863 -0.91
+  193.097 C10H13N2O2+ 1 193.0972 -0.6
+  196.1444 C10H18N3O+ 1 196.1444 -0.23
+  197.1285 C10H17N2O2+ 1 197.1285 0.21
+  201.1397 CH21N4O7+ 1 201.1405 -3.9
+  223.1074 C11H15N2O3+ 2 223.1077 -1.55
+PK$NUM_PEAK: 27
+PK$PEAK: m/z int. rel.int.
+  84.0444 8636294 999
+  86.0964 1448533.5 167
+  91.0542 1512294.6 174
+  96.0443 191761.4 22
+  101.0709 1815350.6 209
+  107.0491 301779.5 34
+  110.084 128290.5 14
+  119.0491 1172500.1 135
+  121.0648 187735.6 21
+  124.0392 176673.2 20
+  129.0657 677379.1 78
+  132.0808 182694.3 21
+  133.0646 155759.5 18
+  136.0755 7510847.5 868
+  141.0659 162860.3 18
+  147.0438 325655.3 37
+  148.0755 685333.5 79
+  150.091 124370.5 14
+  152.034 316526.8 36
+  160.0756 166644.7 19
+  169.0606 180064.3 20
+  178.0861 214553.7 24
+  193.097 185542.9 21
+  196.1444 122699.2 14
+  197.1285 317498.7 36
+  201.1397 111660.7 12
+  223.1074 95754.2 11
+//
diff --git a/Eawag/MSBNK-EAWAG-ED216309.txt b/Eawag/MSBNK-EAWAG-ED216309.txt
new file mode 100644
index 0000000000..d76a38be13
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED216309.txt
@@ -0,0 +1,82 @@
+ACCESSION: MSBNK-EAWAG-ED216309
+RECORD_TITLE: Nostocyclopeptide Ncp-E1-L; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md18090442
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2163
+CH$NAME: Nostocyclopeptide Ncp-E1-L
+CH$NAME: 2-(2-(2-amino-3-(4-hydroxyphenyl)propanamido)acetamido)-N1-(1-((3-hydroxy-1-oxo-1-(2-((1-oxo-3-phenylpropan-2-yl)carbamoyl)pyrrolidin-1-yl)propan-2-yl)amino)-3-methyl-1-oxopentan-2-yl)pentanediamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C39H54N8O10
+CH$EXACT_MASS: 794.3962899
+CH$SMILES: O=C(NC(C(NC(C(NC(C(N1C(C(NC(CC2=CC=CC=C2)C([H])=O)=O)CCC1)=O)CO)=O)C(C)CC)=O)CCC(N)=O)CNC(C(CC3=CC=C(O)C=C3)N)=O
+CH$IUPAC: InChI=1S/C39H54N8O10/c1-3-23(2)34(46-36(54)29(15-16-32(41)51)44-33(52)20-42-35(53)28(40)19-25-11-13-27(50)14-12-25)38(56)45-30(22-49)39(57)47-17-7-10-31(47)37(55)43-26(21-48)18-24-8-5-4-6-9-24/h4-6,8-9,11-14,21,23,26,28-31,34,49-50H,3,7,10,15-20,22,40H2,1-2H3,(H2,41,51)(H,42,53)(H,43,55)(H,44,52)(H,45,56)(H,46,54)
+CH$LINK: PUBCHEM CID:155802414
+CH$LINK: INCHIKEY XFONTJUFZVROJR-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 83-832
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.299 min
+MS$FOCUSED_ION: BASE_PEAK 827.4291
+MS$FOCUSED_ION: PRECURSOR_M/Z 795.4036
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-001r-9800000000-18626f1026008398712f
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  84.0444 C4H6NO+ 1 84.0444 -0.14
+  86.0964 C5H12N+ 1 86.0964 -0.12
+  91.0542 C7H7+ 1 91.0542 -0.43
+  96.0444 C5H6NO+ 1 96.0444 -0.35
+  101.0709 C4H9N2O+ 1 101.0709 -0.51
+  107.0491 C7H7O+ 1 107.0491 -0.66
+  110.084 C6H10N2+ 1 110.0838 1.05
+  119.0491 C8H7O+ 1 119.0491 -0.66
+  121.0647 C8H9O+ 1 121.0648 -0.75
+  124.0392 C6H6NO2+ 1 124.0393 -0.91
+  129.0657 C5H9N2O2+ 1 129.0659 -0.94
+  132.0807 C9H10N+ 1 132.0808 -0.79
+  133.0644 C9H9O+ 1 133.0648 -2.75
+  136.0755 C8H10NO+ 1 136.0757 -1.2
+  141.0657 C6H9N2O2+ 1 141.0659 -1.42
+  147.0438 C9H7O2+ 1 147.0441 -1.41
+  148.0755 C9H10NO+ 1 148.0757 -1.21
+  152.0341 C7H6NO3+ 1 152.0342 -0.52
+  160.0755 C10H10NO+ 1 160.0757 -1.48
+  178.0864 C10H12NO2+ 1 178.0863 0.63
+PK$NUM_PEAK: 20
+PK$PEAK: m/z int. rel.int.
+  84.0444 8635702 999
+  86.0964 1179329.8 136
+  91.0542 2774519 320
+  96.0444 284041.4 32
+  101.0709 849945.1 98
+  107.0491 388004.7 44
+  110.084 99588.5 11
+  119.0491 1561572.5 180
+  121.0647 235350.6 27
+  124.0392 229498.1 26
+  129.0657 398449 46
+  132.0807 167312.5 19
+  133.0644 130868.5 15
+  136.0755 6454742 746
+  141.0657 92592.4 10
+  147.0438 252289.1 29
+  148.0755 496494.7 57
+  152.0341 216945.1 25
+  160.0755 151990.2 17
+  178.0864 91054.6 10
+//
diff --git a/Eawag/MSBNK-EAWAG-ED216351.txt b/Eawag/MSBNK-EAWAG-ED216351.txt
new file mode 100644
index 0000000000..9770e7d3dc
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED216351.txt
@@ -0,0 +1,48 @@
+ACCESSION: MSBNK-EAWAG-ED216351
+RECORD_TITLE: Nostocyclopeptide Ncp-E1-L; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md18090442
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2163
+CH$NAME: Nostocyclopeptide Ncp-E1-L
+CH$NAME: 2-(2-(2-amino-3-(4-hydroxyphenyl)propanamido)acetamido)-N1-(1-((3-hydroxy-1-oxo-1-(2-((1-oxo-3-phenylpropan-2-yl)carbamoyl)pyrrolidin-1-yl)propan-2-yl)amino)-3-methyl-1-oxopentan-2-yl)pentanediamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C39H54N8O10
+CH$EXACT_MASS: 794.3962899
+CH$SMILES: O=C(NC(C(NC(C(NC(C(N1C(C(NC(CC2=CC=CC=C2)C([H])=O)=O)CCC1)=O)CO)=O)C(C)CC)=O)CCC(N)=O)CNC(C(CC3=CC=C(O)C=C3)N)=O
+CH$IUPAC: InChI=1S/C39H54N8O10/c1-3-23(2)34(46-36(54)29(15-16-32(41)51)44-33(52)20-42-35(53)28(40)19-25-11-13-27(50)14-12-25)38(56)45-30(22-49)39(57)47-17-7-10-31(47)37(55)43-26(21-48)18-24-8-5-4-6-9-24/h4-6,8-9,11-14,21,23,26,28-31,34,49-50H,3,7,10,15-20,22,40H2,1-2H3,(H2,41,51)(H,42,53)(H,43,55)(H,44,52)(H,45,56)(H,46,54)
+CH$LINK: PUBCHEM CID:155802414
+CH$LINK: INCHIKEY XFONTJUFZVROJR-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 82-830
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.207 min
+MS$FOCUSED_ION: BASE_PEAK 793.39
+MS$FOCUSED_ION: PRECURSOR_M/Z 793.389
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-03di-0000000900-7fe5c1431a3098caf48f
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  745.3688 C38H49N8O8- 1 745.3679 1.17
+  763.3791 C38H51N8O9- 1 763.3784 0.9
+  775.3785 C39H51N8O9- 1 775.3784 0.03
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  745.3688 483088.3 15
+  763.3791 30165458 999
+  775.3785 521155.6 17
+//
diff --git a/Eawag/MSBNK-EAWAG-ED216352.txt b/Eawag/MSBNK-EAWAG-ED216352.txt
new file mode 100644
index 0000000000..618edf6d0f
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED216352.txt
@@ -0,0 +1,50 @@
+ACCESSION: MSBNK-EAWAG-ED216352
+RECORD_TITLE: Nostocyclopeptide Ncp-E1-L; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md18090442
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2163
+CH$NAME: Nostocyclopeptide Ncp-E1-L
+CH$NAME: 2-(2-(2-amino-3-(4-hydroxyphenyl)propanamido)acetamido)-N1-(1-((3-hydroxy-1-oxo-1-(2-((1-oxo-3-phenylpropan-2-yl)carbamoyl)pyrrolidin-1-yl)propan-2-yl)amino)-3-methyl-1-oxopentan-2-yl)pentanediamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C39H54N8O10
+CH$EXACT_MASS: 794.3962899
+CH$SMILES: O=C(NC(C(NC(C(NC(C(N1C(C(NC(CC2=CC=CC=C2)C([H])=O)=O)CCC1)=O)CO)=O)C(C)CC)=O)CCC(N)=O)CNC(C(CC3=CC=C(O)C=C3)N)=O
+CH$IUPAC: InChI=1S/C39H54N8O10/c1-3-23(2)34(46-36(54)29(15-16-32(41)51)44-33(52)20-42-35(53)28(40)19-25-11-13-27(50)14-12-25)38(56)45-30(22-49)39(57)47-17-7-10-31(47)37(55)43-26(21-48)18-24-8-5-4-6-9-24/h4-6,8-9,11-14,21,23,26,28-31,34,49-50H,3,7,10,15-20,22,40H2,1-2H3,(H2,41,51)(H,42,53)(H,43,55)(H,44,52)(H,45,56)(H,46,54)
+CH$LINK: PUBCHEM CID:155802414
+CH$LINK: INCHIKEY XFONTJUFZVROJR-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 82-830
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.207 min
+MS$FOCUSED_ION: BASE_PEAK 793.39
+MS$FOCUSED_ION: PRECURSOR_M/Z 793.389
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-03di-0000000900-9c09dcbe9424c39e9264
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  347.1356 C16H19N4O5- 3 347.1361 -1.52
+  745.3684 C38H49N8O8- 1 745.3679 0.76
+  763.379 C38H51N8O9- 1 763.3784 0.66
+  775.378 C39H51N8O9- 1 775.3784 -0.6
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  347.1356 701360.5 22
+  745.3684 1543828.5 49
+  763.379 30986078 999
+  775.378 459216.9 14
+//
diff --git a/Eawag/MSBNK-EAWAG-ED216353.txt b/Eawag/MSBNK-EAWAG-ED216353.txt
new file mode 100644
index 0000000000..b9b2ae3a9f
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED216353.txt
@@ -0,0 +1,62 @@
+ACCESSION: MSBNK-EAWAG-ED216353
+RECORD_TITLE: Nostocyclopeptide Ncp-E1-L; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md18090442
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2163
+CH$NAME: Nostocyclopeptide Ncp-E1-L
+CH$NAME: 2-(2-(2-amino-3-(4-hydroxyphenyl)propanamido)acetamido)-N1-(1-((3-hydroxy-1-oxo-1-(2-((1-oxo-3-phenylpropan-2-yl)carbamoyl)pyrrolidin-1-yl)propan-2-yl)amino)-3-methyl-1-oxopentan-2-yl)pentanediamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C39H54N8O10
+CH$EXACT_MASS: 794.3962899
+CH$SMILES: O=C(NC(C(NC(C(NC(C(N1C(C(NC(CC2=CC=CC=C2)C([H])=O)=O)CCC1)=O)CO)=O)C(C)CC)=O)CCC(N)=O)CNC(C(CC3=CC=C(O)C=C3)N)=O
+CH$IUPAC: InChI=1S/C39H54N8O10/c1-3-23(2)34(46-36(54)29(15-16-32(41)51)44-33(52)20-42-35(53)28(40)19-25-11-13-27(50)14-12-25)38(56)45-30(22-49)39(57)47-17-7-10-31(47)37(55)43-26(21-48)18-24-8-5-4-6-9-24/h4-6,8-9,11-14,21,23,26,28-31,34,49-50H,3,7,10,15-20,22,40H2,1-2H3,(H2,41,51)(H,42,53)(H,43,55)(H,44,52)(H,45,56)(H,46,54)
+CH$LINK: PUBCHEM CID:155802414
+CH$LINK: INCHIKEY XFONTJUFZVROJR-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 82-830
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.207 min
+MS$FOCUSED_ION: BASE_PEAK 793.39
+MS$FOCUSED_ION: PRECURSOR_M/Z 793.389
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-03di-0000000900-b7c365a4628fc865741f
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  219.0766 C9H9N5O2- 2 219.0762 2.04
+  236.1031 C9H12N6O2- 2 236.1027 1.7
+  364.162 C16H22N5O5- 3 364.1626 -1.72
+  415.2345 C22H31N4O4- 5 415.2351 -1.41
+  477.2467 C22H33N6O6- 4 477.2467 -0.1
+  614.2945 C29H40N7O8- 4 614.2944 0.21
+  631.3206 C29H43N8O8- 3 631.3209 -0.54
+  639.3252 C31H43N8O7- 3 639.326 -1.32
+  745.3679 C38H49N8O8- 1 745.3679 0.02
+  763.3788 C38H51N8O9- 1 763.3784 0.5
+PK$NUM_PEAK: 10
+PK$PEAK: m/z int. rel.int.
+  219.0766 360900.1 16
+  236.1031 1236046 56
+  364.162 1528632.1 69
+  415.2345 243484.5 11
+  477.2467 332253.5 15
+  614.2945 750377.7 34
+  631.3206 558027.3 25
+  639.3252 242887.4 11
+  745.3679 2239546 101
+  763.3788 21963678 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED216354.txt b/Eawag/MSBNK-EAWAG-ED216354.txt
new file mode 100644
index 0000000000..47734536ef
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED216354.txt
@@ -0,0 +1,100 @@
+ACCESSION: MSBNK-EAWAG-ED216354
+RECORD_TITLE: Nostocyclopeptide Ncp-E1-L; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md18090442
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2163
+CH$NAME: Nostocyclopeptide Ncp-E1-L
+CH$NAME: 2-(2-(2-amino-3-(4-hydroxyphenyl)propanamido)acetamido)-N1-(1-((3-hydroxy-1-oxo-1-(2-((1-oxo-3-phenylpropan-2-yl)carbamoyl)pyrrolidin-1-yl)propan-2-yl)amino)-3-methyl-1-oxopentan-2-yl)pentanediamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C39H54N8O10
+CH$EXACT_MASS: 794.3962899
+CH$SMILES: O=C(NC(C(NC(C(NC(C(N1C(C(NC(CC2=CC=CC=C2)C([H])=O)=O)CCC1)=O)CO)=O)C(C)CC)=O)CCC(N)=O)CNC(C(CC3=CC=C(O)C=C3)N)=O
+CH$IUPAC: InChI=1S/C39H54N8O10/c1-3-23(2)34(46-36(54)29(15-16-32(41)51)44-33(52)20-42-35(53)28(40)19-25-11-13-27(50)14-12-25)38(56)45-30(22-49)39(57)47-17-7-10-31(47)37(55)43-26(21-48)18-24-8-5-4-6-9-24/h4-6,8-9,11-14,21,23,26,28-31,34,49-50H,3,7,10,15-20,22,40H2,1-2H3,(H2,41,51)(H,42,53)(H,43,55)(H,44,52)(H,45,56)(H,46,54)
+CH$LINK: PUBCHEM CID:155802414
+CH$LINK: INCHIKEY XFONTJUFZVROJR-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 82-830
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.207 min
+MS$FOCUSED_ION: BASE_PEAK 793.39
+MS$FOCUSED_ION: PRECURSOR_M/Z 793.389
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-03di-0155001900-831983cbfc4bdc26ef36
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  84.0091 C3H2NO2- 1 84.0091 -0.53
+  126.0197 C5H4NO3- 1 126.0197 0.11
+  127.0511 C5H7N2O2- 1 127.0513 -1.63
+  166.0616 C7H8N3O2- 2 166.0622 -3.48
+  167.0458 C7H7N2O3- 1 167.0462 -2.56
+  169.0977 C8H13N2O2- 2 169.0983 -3.31
+  170.0926 C5H10N6O- 1 170.0922 2.42
+  179.0819 C7H9N5O- 2 179.0813 3.56
+  219.0766 C9H9N5O2- 2 219.0762 1.76
+  222.1239 C9H14N6O- 2 222.1235 2.18
+  223.108 C9H13N5O2- 2 223.1075 2.21
+  236.1032 C9H12N6O2- 2 236.1027 1.83
+  240.1344 C11H18N3O3- 2 240.1354 -4.05
+  245.1287 C12H15N5O- 2 245.1282 1.89
+  276.0989 C11H12N6O3- 2 276.0976 4.67
+  293.1251 C13H17N4O4- 3 293.1255 -1.57
+  297.1561 C12H25O8- 3 297.1555 2.02
+  302.1504 C16H20N3O3- 3 302.151 -2.19
+  347.1354 C16H19N4O5- 3 347.1361 -1.87
+  364.1622 C16H22N5O5- 4 364.1626 -1.13
+  415.2345 C22H31N4O4- 5 415.2351 -1.33
+  432.2252 C21H30N5O5- 4 432.2252 -0.07
+  441.2135 C22H33O9- 4 441.213 1.04
+  535.2519 C38H33NO2- 4 535.2517 0.44
+  614.2945 C29H40N7O8- 4 614.2944 0.11
+  631.3211 C29H43N8O8- 3 631.3209 0.33
+  639.3265 C31H43N8O7- 4 639.326 0.69
+  745.368 C38H49N8O8- 1 745.3679 0.18
+  763.3785 C38H51N8O9- 1 763.3784 0.1
+PK$NUM_PEAK: 29
+PK$PEAK: m/z int. rel.int.
+  84.0091 76731.6 10
+  126.0197 86364 12
+  127.0511 194958.9 27
+  166.0616 354111.4 49
+  167.0458 120593 16
+  169.0977 127135.5 17
+  170.0926 108348.8 15
+  179.0819 243236.7 34
+  219.0766 895687.3 125
+  222.1239 119223.7 16
+  223.108 232049.1 32
+  236.1032 2858244.8 401
+  240.1344 97458.1 13
+  245.1287 433997 61
+  276.0989 73866.1 10
+  293.1251 113507.4 15
+  297.1561 139673.3 19
+  302.1504 301267 42
+  347.1354 1578348.5 221
+  364.1622 2921608.8 410
+  415.2345 366610.9 51
+  432.2252 221623.1 31
+  441.2135 129513.8 18
+  535.2519 140178.6 19
+  614.2945 945548.8 132
+  631.3211 656484.5 92
+  639.3265 286781.3 40
+  745.368 1405825.5 197
+  763.3785 7106524.5 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED216355.txt b/Eawag/MSBNK-EAWAG-ED216355.txt
new file mode 100644
index 0000000000..2f66380045
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED216355.txt
@@ -0,0 +1,150 @@
+ACCESSION: MSBNK-EAWAG-ED216355
+RECORD_TITLE: Nostocyclopeptide Ncp-E1-L; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md18090442
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2163
+CH$NAME: Nostocyclopeptide Ncp-E1-L
+CH$NAME: 2-(2-(2-amino-3-(4-hydroxyphenyl)propanamido)acetamido)-N1-(1-((3-hydroxy-1-oxo-1-(2-((1-oxo-3-phenylpropan-2-yl)carbamoyl)pyrrolidin-1-yl)propan-2-yl)amino)-3-methyl-1-oxopentan-2-yl)pentanediamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C39H54N8O10
+CH$EXACT_MASS: 794.3962899
+CH$SMILES: O=C(NC(C(NC(C(NC(C(N1C(C(NC(CC2=CC=CC=C2)C([H])=O)=O)CCC1)=O)CO)=O)C(C)CC)=O)CCC(N)=O)CNC(C(CC3=CC=C(O)C=C3)N)=O
+CH$IUPAC: InChI=1S/C39H54N8O10/c1-3-23(2)34(46-36(54)29(15-16-32(41)51)44-33(52)20-42-35(53)28(40)19-25-11-13-27(50)14-12-25)38(56)45-30(22-49)39(57)47-17-7-10-31(47)37(55)43-26(21-48)18-24-8-5-4-6-9-24/h4-6,8-9,11-14,21,23,26,28-31,34,49-50H,3,7,10,15-20,22,40H2,1-2H3,(H2,41,51)(H,42,53)(H,43,55)(H,44,52)(H,45,56)(H,46,54)
+CH$LINK: PUBCHEM CID:155802414
+CH$LINK: INCHIKEY XFONTJUFZVROJR-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 82-830
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.207 min
+MS$FOCUSED_ION: BASE_PEAK 793.39
+MS$FOCUSED_ION: PRECURSOR_M/Z 793.389
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-00kr-0792000000-7116c0b61b0f25f839bf
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  84.0091 C3H2NO2- 1 84.0091 0.02
+  95.0251 C4H3N2O- 1 95.0251 -0.05
+  107.0503 C7H7O- 1 107.0502 0.9
+  111.0198 C4H3N2O2- 1 111.02 -1.36
+  113.0356 C4H5N2O2- 1 113.0357 -0.63
+  113.0721 C5H9N2O- 1 113.072 0.24
+  114.0565 C5H8NO2- 1 114.0561 3.67
+  119.0501 C8H7O- 1 119.0502 -0.97
+  123.0562 C6H7N2O- 1 123.0564 -1.13
+  126.0195 C5H4NO3- 1 126.0197 -1.28
+  127.0512 C5H7N2O2- 1 127.0513 -0.91
+  128.0462 C4H6N3O2- 1 128.0466 -3.08
+  129.1033 C6H13N2O- 1 129.1033 -0.55
+  130.062 C4H8N3O2- 1 130.0622 -1.16
+  134.0611 C8H8NO- 1 134.0611 -0.56
+  140.0713 C7H10NO2- 1 140.0717 -3.17
+  144.0774 C5H10N3O2- 1 144.0779 -2.87
+  148.0512 C7H6N3O- 1 148.0516 -2.73
+  149.0353 C7H5N2O2- 1 149.0357 -2.44
+  151.0873 C8H11N2O- 1 151.0877 -2.8
+  153.0666 C7H9N2O2- 1 153.067 -2.03
+  154.0745 C7H10N2O2- 1 154.0748 -2.08
+  155.0825 C7H11N2O2- 1 155.0826 -0.56
+  166.0617 C7H8N3O2- 2 166.0622 -3.2
+  167.0458 C7H7N2O3- 1 167.0462 -2.74
+  169.0976 C8H13N2O2- 2 169.0983 -3.94
+  170.0928 C5H10N6O- 2 170.0922 3.68
+  174.0554 C10H8NO2- 2 174.0561 -3.91
+  181.0971 C7H11N5O- 1 181.0969 1.25
+  184.072 C5H8N6O2- 2 184.0714 3.01
+  186.1239 C6H14N6O- 2 186.1235 2.38
+  187.084 C6H11N4O3- 1 187.0837 1.59
+  211.0954 C7H11N6O2- 2 211.0949 2.53
+  219.0767 C9H9N5O2- 2 219.0762 2.39
+  222.124 C9H14N6O- 2 222.1235 2.38
+  223.1075 C9H13N5O2- 1 223.1075 0.16
+  236.1033 C9H12N6O2- 2 236.1027 2.48
+  240.1348 C11H18N3O3- 2 240.1354 -2.52
+  245.1287 C12H15N5O- 2 245.1282 2.08
+  250.1188 C10H14N6O2- 2 250.1184 1.89
+  257.1612 C11H21N4O3- 3 257.1619 -2.9
+  265.1658 C12H25O6- 3 265.1657 0.33
+  266.1504 C13H20N3O3- 2 266.151 -2.42
+  276.0975 C11H12N6O3- 2 276.0976 -0.42
+  293.125 C13H17N4O4- 3 293.1255 -1.78
+  297.1561 C12H25O8- 3 297.1555 2.13
+  302.1505 C16H20N3O3- 3 302.151 -1.69
+  303.1456 C15H19N4O3- 3 303.1463 -2.2
+  347.1347 C14H17N7O4- 4 347.1348 -0.11
+  364.1622 C16H22N5O5- 4 364.1626 -1.22
+  432.2252 C21H30N5O5- 4 432.2252 0
+  441.2135 C22H33O9- 6 441.213 1.18
+  477.2471 C22H33N6O6- 6 477.2467 0.73
+  614.2946 C29H40N7O8- 4 614.2944 0.41
+PK$NUM_PEAK: 54
+PK$PEAK: m/z int. rel.int.
+  84.0091 181898.7 50
+  95.0251 84355.1 23
+  107.0503 58681.7 16
+  111.0198 73849.8 20
+  113.0356 139844.4 38
+  113.0721 104312.3 28
+  114.0565 48323.7 13
+  119.0501 37946.9 10
+  123.0562 157880 43
+  126.0195 229221 63
+  127.0512 467750.1 130
+  128.0462 120310.9 33
+  129.1033 43239.2 12
+  130.062 424327.8 117
+  134.0611 95560.3 26
+  140.0713 83094.3 23
+  144.0774 285978.8 79
+  148.0512 39965.4 11
+  149.0353 45108.3 12
+  151.0873 49940.3 13
+  153.0666 590385.2 164
+  154.0745 345276.8 95
+  155.0825 72016.6 20
+  166.0617 1570052.2 436
+  167.0458 153342.8 42
+  169.0976 315609.4 87
+  170.0928 534966 148
+  174.0554 49348.2 13
+  181.0971 57019 15
+  184.072 106578.2 29
+  186.1239 44342.3 12
+  187.084 69060 19
+  211.0954 85192.4 23
+  219.0767 1186983.8 329
+  222.124 279164 77
+  223.1075 202134 56
+  236.1033 3593427.5 999
+  240.1348 132268 36
+  245.1287 1611147.4 447
+  250.1188 50226.5 13
+  257.1612 66042.4 18
+  265.1658 91824.8 25
+  266.1504 256482.6 71
+  276.0975 54173.3 15
+  293.125 371488.1 103
+  297.1561 74095 20
+  302.1505 379804.3 105
+  303.1456 104547.3 29
+  347.1347 322429.7 89
+  364.1622 1041603.9 289
+  432.2252 95242.5 26
+  441.2135 43932.8 12
+  477.2471 134469.4 37
+  614.2946 234400 65
+//
diff --git a/Eawag/MSBNK-EAWAG-ED216356.txt b/Eawag/MSBNK-EAWAG-ED216356.txt
new file mode 100644
index 0000000000..4a2d39b160
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED216356.txt
@@ -0,0 +1,168 @@
+ACCESSION: MSBNK-EAWAG-ED216356
+RECORD_TITLE: Nostocyclopeptide Ncp-E1-L; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md18090442
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2163
+CH$NAME: Nostocyclopeptide Ncp-E1-L
+CH$NAME: 2-(2-(2-amino-3-(4-hydroxyphenyl)propanamido)acetamido)-N1-(1-((3-hydroxy-1-oxo-1-(2-((1-oxo-3-phenylpropan-2-yl)carbamoyl)pyrrolidin-1-yl)propan-2-yl)amino)-3-methyl-1-oxopentan-2-yl)pentanediamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C39H54N8O10
+CH$EXACT_MASS: 794.3962899
+CH$SMILES: O=C(NC(C(NC(C(NC(C(N1C(C(NC(CC2=CC=CC=C2)C([H])=O)=O)CCC1)=O)CO)=O)C(C)CC)=O)CCC(N)=O)CNC(C(CC3=CC=C(O)C=C3)N)=O
+CH$IUPAC: InChI=1S/C39H54N8O10/c1-3-23(2)34(46-36(54)29(15-16-32(41)51)44-33(52)20-42-35(53)28(40)19-25-11-13-27(50)14-12-25)38(56)45-30(22-49)39(57)47-17-7-10-31(47)37(55)43-26(21-48)18-24-8-5-4-6-9-24/h4-6,8-9,11-14,21,23,26,28-31,34,49-50H,3,7,10,15-20,22,40H2,1-2H3,(H2,41,51)(H,42,53)(H,43,55)(H,44,52)(H,45,56)(H,46,54)
+CH$LINK: PUBCHEM CID:155802414
+CH$LINK: INCHIKEY XFONTJUFZVROJR-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 82-830
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.207 min
+MS$FOCUSED_ION: BASE_PEAK 793.39
+MS$FOCUSED_ION: PRECURSOR_M/Z 793.389
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0v10-0930000000-141655341edf4549dc12
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  84.0091 C3H2NO2- 1 84.0091 -0.53
+  85.0406 C3H5N2O- 1 85.0407 -2.1
+  91.0553 C7H7- 1 91.0553 -0.21
+  95.025 C4H3N2O- 1 95.0251 -1.17
+  97.0405 C4H5N2O- 1 97.0407 -1.93
+  99.0201 C3H3N2O2- 1 99.02 0.51
+  106.0424 C7H6O- 1 106.0424 -0.39
+  107.0503 C7H7O- 1 107.0502 0.68
+  109.0408 C5H5N2O- 1 109.0407 0.46
+  111.0198 C4H3N2O2- 1 111.02 -1.43
+  112.0515 C4H6N3O- 1 112.0516 -1.01
+  113.0356 C4H5N2O2- 1 113.0357 -0.23
+  113.072 C5H9N2O- 1 113.072 -0.44
+  114.0561 C5H8NO2- 1 114.0561 0.06
+  119.05 C8H7O- 1 119.0502 -1.8
+  123.0563 C6H7N2O- 1 123.0564 -0.51
+  124.0403 C6H6NO2- 1 124.0404 -0.66
+  125.0355 C5H5N2O2- 1 125.0357 -1.26
+  126.0196 C5H4NO3- 1 126.0197 -0.32
+  127.0512 C5H7N2O2- 1 127.0513 -0.61
+  128.0462 C4H6N3O2- 1 128.0466 -2.37
+  129.1031 C6H13N2O- 1 129.1033 -1.49
+  130.0621 C4H8N3O2- 1 130.0622 -1.04
+  133.0658 C9H9O- 1 133.0659 -0.89
+  134.061 C8H8NO- 1 134.0611 -0.9
+  139.0511 C6H7N2O2- 1 139.0513 -1.34
+  139.0875 C7H11N2O- 1 139.0877 -1.08
+  140.0714 C7H10NO2- 1 140.0717 -2.3
+  141.1031 C7H13N2O- 1 141.1033 -1.86
+  144.0776 C5H10N3O2- 1 144.0779 -1.5
+  148.052 C7H6N3O- 1 148.0516 2.42
+  148.0764 C9H10NO- 1 148.0768 -2.77
+  149.0357 C7H5N2O2- 1 149.0357 0.12
+  153.0666 C7H9N2O2- 1 153.067 -2.43
+  154.0744 C7H10N2O2- 1 154.0748 -2.28
+  155.0823 C7H11N2O2- 1 155.0826 -1.84
+  162.0555 C9H8NO2- 1 162.0561 -3.12
+  165.1031 C9H13N2O- 1 165.1033 -1.67
+  166.0617 C7H8N3O2- 2 166.0622 -3.2
+  167.0455 C7H7N2O3- 2 167.0462 -4.39
+  168.1138 C8H14N3O- 1 168.1142 -2.41
+  169.0976 C8H13N2O2- 2 169.0983 -3.94
+  170.0927 C5H10N6O- 2 170.0922 3.05
+  175.0873 C10H11N2O- 1 175.0877 -2.32
+  179.0819 C7H9N5O- 2 179.0813 3.56
+  181.0974 C7H11N5O- 2 181.0969 2.85
+  184.0719 C5H8N6O2- 2 184.0714 2.6
+  186.124 C6H14N6O- 2 186.1235 2.87
+  187.0831 C6H11N4O3- 3 187.0837 -3.06
+  191.082 C10H11N2O2- 2 191.0826 -3.24
+  201.0984 C7H13N4O3- 3 201.0993 -4.32
+  211.0954 C7H11N6O2- 2 211.0949 2.61
+  218.0929 C9H10N6O- 2 218.0922 3.2
+  219.0767 C9H9N5O2- 2 219.0762 2.25
+  222.1238 C9H14N6O- 2 222.1235 1.77
+  223.1079 C9H13N5O2- 2 223.1075 1.8
+  236.1032 C9H12N6O2- 2 236.1027 2.09
+  239.1506 C10H23O6- 3 239.15 2.57
+  245.1287 C12H15N5O- 2 245.1282 1.95
+  250.1189 C10H14N6O2- 2 250.1184 2.01
+  258.1203 C9H16N5O4- 3 258.1208 -1.83
+  266.1506 C13H20N3O3- 2 266.151 -1.61
+  284.1396 C14H16N6O- 3 284.1391 1.68
+PK$NUM_PEAK: 63
+PK$PEAK: m/z int. rel.int.
+  84.0091 328049.8 194
+  85.0406 70552.8 41
+  91.0553 89500.4 53
+  95.025 177102 105
+  97.0405 37754.2 22
+  99.0201 40657.1 24
+  106.0424 54964.6 32
+  107.0503 116291.9 68
+  109.0408 66319 39
+  111.0198 192740.7 114
+  112.0515 114302 67
+  113.0356 218648.5 129
+  113.072 248433.3 147
+  114.0561 140613.9 83
+  119.05 146817.3 87
+  123.0563 235461.7 139
+  124.0403 53753 31
+  125.0355 53830.1 31
+  126.0196 188195.5 111
+  127.0512 485140.1 287
+  128.0462 231442.1 137
+  129.1031 113694 67
+  130.0621 1047104.2 620
+  133.0658 20625.6 12
+  134.061 187451 111
+  139.0511 33490.5 19
+  139.0875 83703 49
+  140.0714 81019.8 48
+  141.1031 29884.9 17
+  144.0776 239173.4 141
+  148.052 48468.2 28
+  148.0764 108468 64
+  149.0357 68423.1 40
+  153.0666 953315.2 565
+  154.0744 1068348.9 633
+  155.0823 89796.6 53
+  162.0555 89241.5 52
+  165.1031 19601.6 11
+  166.0617 1284872.6 761
+  167.0455 68905.6 40
+  168.1138 19605.2 11
+  169.0976 319980.3 189
+  170.0927 433732.6 257
+  175.0873 36901.1 21
+  179.0819 621007.5 368
+  181.0974 76983.8 45
+  184.0719 98115.5 58
+  186.124 104383.5 61
+  187.0831 123898.2 73
+  191.082 65685.8 38
+  201.0984 78996.4 46
+  211.0954 164790 97
+  218.0929 39886.3 23
+  219.0767 527867.1 312
+  222.1238 209299 124
+  223.1079 109333.8 64
+  236.1032 1684809.6 999
+  239.1506 117728.5 69
+  245.1287 1003917.7 595
+  250.1189 40830.8 24
+  258.1203 45364.1 26
+  266.1506 263792.2 156
+  284.1396 39208.6 23
+//
diff --git a/Eawag/MSBNK-EAWAG-ED216357.txt b/Eawag/MSBNK-EAWAG-ED216357.txt
new file mode 100644
index 0000000000..4969c9c77c
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED216357.txt
@@ -0,0 +1,156 @@
+ACCESSION: MSBNK-EAWAG-ED216357
+RECORD_TITLE: Nostocyclopeptide Ncp-E1-L; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md18090442
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2163
+CH$NAME: Nostocyclopeptide Ncp-E1-L
+CH$NAME: 2-(2-(2-amino-3-(4-hydroxyphenyl)propanamido)acetamido)-N1-(1-((3-hydroxy-1-oxo-1-(2-((1-oxo-3-phenylpropan-2-yl)carbamoyl)pyrrolidin-1-yl)propan-2-yl)amino)-3-methyl-1-oxopentan-2-yl)pentanediamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C39H54N8O10
+CH$EXACT_MASS: 794.3962899
+CH$SMILES: O=C(NC(C(NC(C(NC(C(N1C(C(NC(CC2=CC=CC=C2)C([H])=O)=O)CCC1)=O)CO)=O)C(C)CC)=O)CCC(N)=O)CNC(C(CC3=CC=C(O)C=C3)N)=O
+CH$IUPAC: InChI=1S/C39H54N8O10/c1-3-23(2)34(46-36(54)29(15-16-32(41)51)44-33(52)20-42-35(53)28(40)19-25-11-13-27(50)14-12-25)38(56)45-30(22-49)39(57)47-17-7-10-31(47)37(55)43-26(21-48)18-24-8-5-4-6-9-24/h4-6,8-9,11-14,21,23,26,28-31,34,49-50H,3,7,10,15-20,22,40H2,1-2H3,(H2,41,51)(H,42,53)(H,43,55)(H,44,52)(H,45,56)(H,46,54)
+CH$LINK: PUBCHEM CID:155802414
+CH$LINK: INCHIKEY XFONTJUFZVROJR-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 82-830
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.207 min
+MS$FOCUSED_ION: BASE_PEAK 793.39
+MS$FOCUSED_ION: PRECURSOR_M/Z 793.389
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0ue9-1910000000-e13af8733e40676e2b60
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  83.0251 C3H3N2O- 1 83.0251 0.2
+  84.0091 C3H2NO2- 1 84.0091 -0.35
+  85.0407 C3H5N2O- 1 85.0407 -0.3
+  91.0553 C7H7- 1 91.0553 -0.21
+  95.0251 C4H3N2O- 1 95.0251 0.11
+  97.0409 C4H5N2O- 1 97.0407 1.22
+  106.0424 C7H6O- 1 106.0424 -0.11
+  107.0501 C7H7O- 1 107.0502 -1.31
+  109.0407 C5H5N2O- 1 109.0407 -0.52
+  110.0611 C6H8NO- 1 110.0611 -0.01
+  111.02 C4H3N2O2- 1 111.02 -0.27
+  112.0516 C4H6N3O- 1 112.0516 -0.4
+  113.0355 C4H5N2O2- 1 113.0357 -0.9
+  113.072 C5H9N2O- 1 113.072 -0.24
+  114.056 C5H8NO2- 1 114.0561 -0.68
+  119.0502 C8H7O- 1 119.0502 -0.46
+  123.0563 C6H7N2O- 1 123.0564 -0.57
+  124.0405 C6H6NO2- 1 124.0404 0.69
+  125.0355 C5H5N2O2- 1 125.0357 -1.51
+  126.0196 C5H4NO3- 1 126.0197 -0.32
+  127.0512 C5H7N2O2- 1 127.0513 -0.67
+  128.0464 C4H6N3O2- 1 128.0466 -1.17
+  129.1033 C6H13N2O- 1 129.1033 -0.55
+  130.0621 C4H8N3O2- 1 130.0622 -1.04
+  134.061 C8H8NO- 1 134.0611 -1.24
+  139.0512 C6H7N2O2- 1 139.0513 -0.57
+  139.0875 C7H11N2O- 1 139.0877 -1.19
+  144.0778 C5H10N3O2- 1 144.0779 -0.54
+  148.0765 C9H10NO- 1 148.0768 -1.64
+  149.0357 C7H5N2O2- 1 149.0357 0.22
+  151.0874 C8H11N2O- 1 151.0877 -2.09
+  153.0666 C7H9N2O2- 1 153.067 -2.33
+  154.0744 C7H10N2O2- 1 154.0748 -2.28
+  155.0822 C7H11N2O2- 1 155.0826 -2.43
+  162.0554 C9H8NO2- 2 162.0561 -3.78
+  163.0509 C8H7N2O2- 1 163.0513 -2.38
+  166.0617 C7H8N3O2- 2 166.0622 -3.3
+  168.1141 C8H14N3O- 1 168.1142 -0.96
+  169.0726 C6H9N4O2- 1 169.0731 -2.82
+  169.0976 C8H13N2O2- 2 169.0983 -3.94
+  170.0927 C5H10N6O- 2 170.0922 3.41
+  179.0819 C7H9N5O- 2 179.0813 3.73
+  186.1239 C6H14N6O- 2 186.1235 2.47
+  187.0832 C6H11N4O3- 3 187.0837 -2.73
+  191.0818 C10H11N2O2- 2 191.0826 -3.96
+  198.1241 C7H14N6O- 2 198.1235 3.47
+  201.0986 C7H13N4O3- 3 201.0993 -3.56
+  211.0952 C7H11N6O2- 2 211.0949 1.52
+  219.0767 C9H9N5O2- 2 219.0762 2.39
+  222.1238 C9H14N6O- 2 222.1235 1.77
+  225.1347 C9H21O6- 3 225.1344 1.32
+  236.1032 C9H12N6O2- 2 236.1027 2.02
+  239.151 C10H23O6- 3 239.15 4.1
+  240.1715 C10H20N6O- 2 240.1704 4.37
+  245.1287 C12H15N5O- 2 245.1282 1.95
+  266.1506 C13H20N3O3- 2 266.151 -1.61
+  293.1256 C13H17N4O4- 5 293.1255 0.31
+PK$NUM_PEAK: 57
+PK$PEAK: m/z int. rel.int.
+  83.0251 46005.2 33
+  84.0091 629746.2 461
+  85.0407 101627.5 74
+  91.0553 121213.9 88
+  95.0251 175740.3 128
+  97.0409 68276.4 50
+  106.0424 76119.9 55
+  107.0501 187916 137
+  109.0407 87867.9 64
+  110.0611 33935.1 24
+  111.02 260354.1 190
+  112.0516 248829.3 182
+  113.0355 233937.5 171
+  113.072 247959.2 181
+  114.056 188545.9 138
+  119.0502 200744.5 147
+  123.0563 304614.2 223
+  124.0405 54716.9 40
+  125.0355 100855.4 73
+  126.0196 115310.7 84
+  127.0512 367768.5 269
+  128.0464 170825.1 125
+  129.1033 133385.5 97
+  130.0621 1081329.4 792
+  134.061 215962.5 158
+  139.0512 36718.2 26
+  139.0875 124024.3 90
+  144.0778 116495.2 85
+  148.0765 187029.9 137
+  149.0357 91326.5 66
+  151.0874 110600 81
+  153.0666 1075469.8 787
+  154.0744 1363589.1 999
+  155.0822 73324.6 53
+  162.0554 115096.3 84
+  163.0509 47698.6 34
+  166.0617 684468.4 501
+  168.1141 59598 43
+  169.0726 199058.5 145
+  169.0976 191149.6 140
+  170.0927 206529.8 151
+  179.0819 287093.7 210
+  186.1239 126671.6 92
+  187.0832 71992.1 52
+  191.0818 55144 40
+  198.1241 32739.5 23
+  201.0986 41301.9 30
+  211.0952 85531.1 62
+  219.0767 163798.4 120
+  222.1238 105613.1 77
+  225.1347 45508.1 33
+  236.1032 451633.3 330
+  239.151 81646.1 59
+  240.1715 25272.9 18
+  245.1287 385499.2 282
+  266.1506 154091.5 112
+  293.1256 18811.6 13
+//
diff --git a/Eawag/MSBNK-EAWAG-ED216358.txt b/Eawag/MSBNK-EAWAG-ED216358.txt
new file mode 100644
index 0000000000..33731c0ff5
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED216358.txt
@@ -0,0 +1,138 @@
+ACCESSION: MSBNK-EAWAG-ED216358
+RECORD_TITLE: Nostocyclopeptide Ncp-E1-L; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md18090442
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2163
+CH$NAME: Nostocyclopeptide Ncp-E1-L
+CH$NAME: 2-(2-(2-amino-3-(4-hydroxyphenyl)propanamido)acetamido)-N1-(1-((3-hydroxy-1-oxo-1-(2-((1-oxo-3-phenylpropan-2-yl)carbamoyl)pyrrolidin-1-yl)propan-2-yl)amino)-3-methyl-1-oxopentan-2-yl)pentanediamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C39H54N8O10
+CH$EXACT_MASS: 794.3962899
+CH$SMILES: O=C(NC(C(NC(C(NC(C(N1C(C(NC(CC2=CC=CC=C2)C([H])=O)=O)CCC1)=O)CO)=O)C(C)CC)=O)CCC(N)=O)CNC(C(CC3=CC=C(O)C=C3)N)=O
+CH$IUPAC: InChI=1S/C39H54N8O10/c1-3-23(2)34(46-36(54)29(15-16-32(41)51)44-33(52)20-42-35(53)28(40)19-25-11-13-27(50)14-12-25)38(56)45-30(22-49)39(57)47-17-7-10-31(47)37(55)43-26(21-48)18-24-8-5-4-6-9-24/h4-6,8-9,11-14,21,23,26,28-31,34,49-50H,3,7,10,15-20,22,40H2,1-2H3,(H2,41,51)(H,42,53)(H,43,55)(H,44,52)(H,45,56)(H,46,54)
+CH$LINK: PUBCHEM CID:155802414
+CH$LINK: INCHIKEY XFONTJUFZVROJR-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 82-830
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.207 min
+MS$FOCUSED_ION: BASE_PEAK 793.39
+MS$FOCUSED_ION: PRECURSOR_M/Z 793.389
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0ue9-2900000000-0e81fb4ecfca4e9655e8
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  83.0251 C3H3N2O- 1 83.0251 0.75
+  84.0091 C3H2NO2- 1 84.0091 -0.53
+  85.0407 C3H5N2O- 1 85.0407 -0.57
+  87.0567 C3H7N2O- 1 87.0564 3.61
+  91.0554 C7H7- 1 91.0553 0.8
+  95.0251 C4H3N2O- 1 95.0251 -0.21
+  97.0408 C4H5N2O- 1 97.0407 0.28
+  98.0249 C4H4NO2- 1 98.0248 1.27
+  99.0567 C4H7N2O- 1 99.0564 3.05
+  106.0424 C7H6O- 1 106.0424 -0.32
+  107.0501 C7H7O- 1 107.0502 -0.96
+  111.0199 C4H3N2O2- 1 111.02 -0.61
+  112.0281 C4H4N2O2- 1 112.0278 2.24
+  112.0516 C4H6N3O- 1 112.0516 -0.6
+  113.0356 C4H5N2O2- 1 113.0357 -0.7
+  113.0719 C5H9N2O- 1 113.072 -1.11
+  114.056 C5H8NO2- 1 114.0561 -0.75
+  119.0502 C8H7O- 1 119.0502 -0.52
+  123.0563 C6H7N2O- 1 123.0564 -0.7
+  124.0405 C6H6NO2- 1 124.0404 1
+  124.052 C5H6N3O- 1 124.0516 2.64
+  125.0356 C5H5N2O2- 1 125.0357 -0.59
+  125.072 C6H9N2O- 1 125.072 0.01
+  126.0194 C5H4NO3- 1 126.0197 -1.83
+  126.0675 C5H8N3O- 1 126.0673 1.47
+  127.0513 C5H7N2O2- 1 127.0513 -0.37
+  128.0464 C4H6N3O2- 1 128.0466 -0.82
+  129.1033 C6H13N2O- 1 129.1033 -0.43
+  130.062 C4H8N3O2- 1 130.0622 -1.16
+  134.061 C8H8NO- 1 134.0611 -1.24
+  139.0875 C7H11N2O- 1 139.0877 -1.3
+  140.0717 C7H10NO2- 1 140.0717 -0.34
+  141.1031 C7H13N2O- 1 141.1033 -1.75
+  143.1191 C7H15N2O- 1 143.119 0.6
+  148.0519 C7H6N3O- 1 148.0516 1.91
+  148.0765 C9H10NO- 1 148.0768 -2.05
+  151.0874 C8H11N2O- 1 151.0877 -2.19
+  153.0666 C7H9N2O2- 1 153.067 -2.33
+  154.0744 C7H10N2O2- 1 154.0748 -2.28
+  158.0612 C10H8NO- 1 158.0611 0.35
+  162.0555 C9H8NO2- 2 162.0561 -3.31
+  166.0617 C7H8N3O2- 1 166.0622 -3.02
+  169.073 C6H9N4O2- 1 169.0731 -0.75
+  169.0982 C8H13N2O2- 1 169.0983 -0.51
+  179.1183 C8H13N5- 2 179.1176 3.77
+  187.0839 C6H11N4O3- 1 187.0837 1.02
+  245.1288 C12H15N5O- 2 245.1282 2.39
+  266.1506 C13H20N3O3- 2 266.151 -1.73
+PK$NUM_PEAK: 48
+PK$PEAK: m/z int. rel.int.
+  83.0251 52343.3 50
+  84.0091 1009531.1 967
+  85.0407 104122.3 99
+  87.0567 23199.7 22
+  91.0554 123922.2 118
+  95.0251 170616 163
+  97.0408 91689.8 87
+  98.0249 16021.5 15
+  99.0567 34485.9 33
+  106.0424 77989.2 74
+  107.0501 204056.7 195
+  111.0199 245823.9 235
+  112.0281 36120.1 34
+  112.0516 273321 261
+  113.0356 204740.1 196
+  113.0719 217712.8 208
+  114.056 187355.1 179
+  119.0502 258961.4 248
+  123.0563 340487 326
+  124.0405 47000.6 45
+  124.052 30116.4 28
+  125.0356 95568.2 91
+  125.072 52188.1 50
+  126.0194 48033.2 46
+  126.0675 33366.9 31
+  127.0513 246510.3 236
+  128.0464 101238.3 97
+  129.1033 158210.1 151
+  130.062 711915.1 682
+  134.061 203167.4 194
+  139.0875 134443 128
+  140.0717 49475.4 47
+  141.1031 58066.1 55
+  143.1191 55445.7 53
+  148.0519 37916.7 36
+  148.0765 177324.2 169
+  151.0874 79955.3 76
+  153.0666 938294.5 899
+  154.0744 1042476.7 999
+  158.0612 36898 35
+  162.0555 80721.6 77
+  166.0617 293257.6 281
+  169.073 140469.5 134
+  169.0982 116726.5 111
+  179.1183 38793.9 37
+  187.0839 25781.9 24
+  245.1288 86306.9 82
+  266.1506 100211.2 96
+//
diff --git a/Eawag/MSBNK-EAWAG-ED216359.txt b/Eawag/MSBNK-EAWAG-ED216359.txt
new file mode 100644
index 0000000000..e41d2232b9
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED216359.txt
@@ -0,0 +1,118 @@
+ACCESSION: MSBNK-EAWAG-ED216359
+RECORD_TITLE: Nostocyclopeptide Ncp-E1-L; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md18090442
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2163
+CH$NAME: Nostocyclopeptide Ncp-E1-L
+CH$NAME: 2-(2-(2-amino-3-(4-hydroxyphenyl)propanamido)acetamido)-N1-(1-((3-hydroxy-1-oxo-1-(2-((1-oxo-3-phenylpropan-2-yl)carbamoyl)pyrrolidin-1-yl)propan-2-yl)amino)-3-methyl-1-oxopentan-2-yl)pentanediamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C39H54N8O10
+CH$EXACT_MASS: 794.3962899
+CH$SMILES: O=C(NC(C(NC(C(NC(C(N1C(C(NC(CC2=CC=CC=C2)C([H])=O)=O)CCC1)=O)CO)=O)C(C)CC)=O)CCC(N)=O)CNC(C(CC3=CC=C(O)C=C3)N)=O
+CH$IUPAC: InChI=1S/C39H54N8O10/c1-3-23(2)34(46-36(54)29(15-16-32(41)51)44-33(52)20-42-35(53)28(40)19-25-11-13-27(50)14-12-25)38(56)45-30(22-49)39(57)47-17-7-10-31(47)37(55)43-26(21-48)18-24-8-5-4-6-9-24/h4-6,8-9,11-14,21,23,26,28-31,34,49-50H,3,7,10,15-20,22,40H2,1-2H3,(H2,41,51)(H,42,53)(H,43,55)(H,44,52)(H,45,56)(H,46,54)
+CH$LINK: PUBCHEM CID:155802414
+CH$LINK: INCHIKEY XFONTJUFZVROJR-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 82-830
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.207 min
+MS$FOCUSED_ION: BASE_PEAK 793.39
+MS$FOCUSED_ION: PRECURSOR_M/Z 793.389
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0f89-3900000000-f3631f3b77acfc40a683
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  84.0091 C3H2NO2- 1 84.0091 -0.35
+  85.0407 C3H5N2O- 1 85.0407 0.06
+  91.0553 C7H7- 1 91.0553 -0.71
+  95.025 C4H3N2O- 1 95.0251 -0.61
+  97.0407 C4H5N2O- 1 97.0407 -0.67
+  99.02 C3H3N2O2- 1 99.02 0.44
+  106.0423 C7H6O- 1 106.0424 -1.26
+  107.0502 C7H7O- 1 107.0502 -0.53
+  109.0407 C5H5N2O- 1 109.0407 -0.45
+  111.0199 C4H3N2O2- 1 111.02 -0.95
+  111.0564 C5H7N2O- 1 111.0564 0.48
+  112.0516 C4H6N3O- 1 112.0516 -0.4
+  113.0358 C4H5N2O2- 1 113.0357 1.26
+  113.072 C5H9N2O- 1 113.072 -0.64
+  114.056 C5H8NO2- 1 114.0561 -0.75
+  118.0664 C8H8N- 1 118.0662 1.48
+  119.0502 C8H7O- 1 119.0502 -0.46
+  123.0562 C6H7N2O- 1 123.0564 -1.26
+  124.0403 C6H6NO2- 1 124.0404 -0.84
+  125.0355 C5H5N2O2- 1 125.0357 -1.14
+  125.0722 C6H9N2O- 1 125.072 1.53
+  127.0513 C5H7N2O2- 1 127.0513 -0.31
+  129.1033 C6H13N2O- 1 129.1033 -0.43
+  130.0621 C4H8N3O2- 1 130.0622 -0.69
+  134.061 C8H8NO- 1 134.0611 -0.9
+  139.0876 C7H11N2O- 1 139.0877 -0.86
+  140.0832 C6H10N3O- 1 140.0829 2.14
+  143.1188 C7H15N2O- 1 143.119 -0.99
+  148.0765 C9H10NO- 1 148.0768 -2.05
+  149.0355 C7H5N2O2- 1 149.0357 -0.9
+  151.0874 C8H11N2O- 1 151.0877 -2.09
+  152.0584 C7H8N2O2- 2 152.0591 -4.79
+  153.0666 C7H9N2O2- 1 153.067 -2.23
+  154.0744 C7H10N2O2- 1 154.0748 -2.28
+  155.0824 C7H11N2O2- 1 155.0826 -1.34
+  166.062 C7H8N3O2- 1 166.0622 -1.27
+  169.0728 C6H9N4O2- 1 169.0731 -2.01
+  169.0975 C8H13N2O2- 2 169.0983 -4.39
+PK$NUM_PEAK: 38
+PK$PEAK: m/z int. rel.int.
+  84.0091 1043045.9 999
+  85.0407 82760.2 79
+  91.0553 99064 94
+  95.025 145254.1 139
+  97.0407 74297.5 71
+  99.02 63459.1 60
+  106.0423 60712 58
+  107.0502 143600.9 137
+  109.0407 61899.2 59
+  111.0199 191344.7 183
+  111.0564 22122.7 21
+  112.0516 226089 216
+  113.0358 131634.6 126
+  113.072 151997.1 145
+  114.056 136551.6 130
+  118.0664 16397.7 15
+  119.0502 221411.8 212
+  123.0562 213528.9 204
+  124.0403 29845.3 28
+  125.0355 79816.2 76
+  125.0722 56568.8 54
+  127.0513 133260.2 127
+  129.1033 100114.9 95
+  130.0621 355820.2 340
+  134.061 138961.2 133
+  139.0876 90703.6 86
+  140.0832 31359.1 30
+  143.1188 38543.3 36
+  148.0765 113730.4 108
+  149.0355 37118.1 35
+  151.0874 43549.7 41
+  152.0584 35049.3 33
+  153.0666 540253.4 517
+  154.0744 554670.4 531
+  155.0824 42512.4 40
+  166.062 84570 80
+  169.0728 64614.7 61
+  169.0975 63742 61
+//
diff --git a/Eawag/MSBNK-EAWAG-ED216501.txt b/Eawag/MSBNK-EAWAG-ED216501.txt
new file mode 100644
index 0000000000..97807f9e9f
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED216501.txt
@@ -0,0 +1,60 @@
+ACCESSION: MSBNK-EAWAG-ED216501
+RECORD_TITLE: Nostocyclopeptide Ncp-E2-L; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md18090442
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2165
+CH$NAME: Nostocyclopeptide Ncp-E2-L
+CH$NAME: 2-(2-(2-amino-3-(4-hydroxyphenyl)propanamido)acetamido)-N1-(1-((3-hydroxy-1-(2-((4-methyl-1-oxopentan-2-yl)carbamoyl)pyrrolidin-1-yl)-1-oxopropan-2-yl)amino)-3-methyl-1-oxopentan-2-yl)pentanediamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C36H56N8O10
+CH$EXACT_MASS: 760.41194
+CH$SMILES: O=C(NC(C(NC(C(NC(C(N1C(C(NC(CC(C)C)C([H])=O)=O)CCC1)=O)CO)=O)C(C)CC)=O)CCC(N)=O)CNC(C(CC2=CC=C(O)C=C2)N)=O
+CH$IUPAC: InChI=1S/C36H56N8O10/c1-5-21(4)31(35(53)42-27(19-46)36(54)44-14-6-7-28(44)34(52)40-23(18-45)15-20(2)3)43-33(51)26(12-13-29(38)48)41-30(49)17-39-32(50)25(37)16-22-8-10-24(47)11-9-22/h8-11,18,20-21,23,25-28,31,46-47H,5-7,12-17,19,37H2,1-4H3,(H2,38,48)(H,39,50)(H,40,52)(H,41,49)(H,42,53)(H,43,51)
+CH$LINK: PUBCHEM CID:155802014
+CH$LINK: INCHIKEY CLSDHBVHQKWEJR-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 79-798
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.960 min
+MS$FOCUSED_ION: BASE_PEAK 793.4441
+MS$FOCUSED_ION: PRECURSOR_M/Z 761.4192
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-03dl-0000000900-46bb466f3deeff621b1f
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  195.1488 C11H19N2O+ 2 195.1492 -2.23
+  300.1916 C14H26N3O4+ 3 300.1918 -0.77
+  462.2343 C36H30+ 6 462.2342 0.14
+  531.2556 C25H35N6O7+ 4 531.2562 -1.13
+  532.2401 C25H34N5O8+ 3 532.2402 -0.11
+  549.2659 C25H37N6O8+ 4 549.2667 -1.54
+  725.3972 C36H53N8O8+ 1 725.3981 -1.25
+  743.4071 C36H55N8O9+ 1 743.4087 -2.04
+  761.4173 C36H57N8O10+ 1 761.4192 -2.47
+PK$NUM_PEAK: 9
+PK$PEAK: m/z int. rel.int.
+  195.1488 3396692 18
+  300.1916 2267701 12
+  462.2343 7376322 40
+  531.2556 3408491.8 18
+  532.2401 2761749.5 15
+  549.2659 17872618 97
+  725.3972 1930690.1 10
+  743.4071 113104240 615
+  761.4173 183470736 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED216502.txt b/Eawag/MSBNK-EAWAG-ED216502.txt
new file mode 100644
index 0000000000..e724cb3c76
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED216502.txt
@@ -0,0 +1,84 @@
+ACCESSION: MSBNK-EAWAG-ED216502
+RECORD_TITLE: Nostocyclopeptide Ncp-E2-L; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md18090442
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2165
+CH$NAME: Nostocyclopeptide Ncp-E2-L
+CH$NAME: 2-(2-(2-amino-3-(4-hydroxyphenyl)propanamido)acetamido)-N1-(1-((3-hydroxy-1-(2-((4-methyl-1-oxopentan-2-yl)carbamoyl)pyrrolidin-1-yl)-1-oxopropan-2-yl)amino)-3-methyl-1-oxopentan-2-yl)pentanediamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C36H56N8O10
+CH$EXACT_MASS: 760.41194
+CH$SMILES: O=C(NC(C(NC(C(NC(C(N1C(C(NC(CC(C)C)C([H])=O)=O)CCC1)=O)CO)=O)C(C)CC)=O)CCC(N)=O)CNC(C(CC2=CC=C(O)C=C2)N)=O
+CH$IUPAC: InChI=1S/C36H56N8O10/c1-5-21(4)31(35(53)42-27(19-46)36(54)44-14-6-7-28(44)34(52)40-23(18-45)15-20(2)3)43-33(51)26(12-13-29(38)48)41-30(49)17-39-32(50)25(37)16-22-8-10-24(47)11-9-22/h8-11,18,20-21,23,25-28,31,46-47H,5-7,12-17,19,37H2,1-4H3,(H2,38,48)(H,39,50)(H,40,52)(H,41,49)(H,42,53)(H,43,51)
+CH$LINK: PUBCHEM CID:155802014
+CH$LINK: INCHIKEY CLSDHBVHQKWEJR-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 79-798
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.960 min
+MS$FOCUSED_ION: BASE_PEAK 793.4441
+MS$FOCUSED_ION: PRECURSOR_M/Z 761.4192
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-01oy-0101130900-b0266a7c27942bed316a
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  101.0708 C4H9N2O+ 1 101.0709 -1.64
+  167.1541 C10H19N2+ 1 167.1543 -1.04
+  195.1488 C11H19N2O+ 1 195.1492 -1.76
+  213.1594 C11H21N2O2+ 2 213.1598 -1.59
+  299.1711 C13H23N4O4+ 3 299.1714 -0.92
+  300.1913 C14H26N3O4+ 3 300.1918 -1.48
+  349.1502 C16H21N4O5+ 3 349.1506 -1.42
+  418.1717 C33H22+ 5 418.1716 0.12
+  434.2392 C21H32N5O5+ 5 434.2398 -1.41
+  436.1823 C33H24O+ 5 436.1822 0.23
+  462.2341 C36H30+ 6 462.2342 -0.13
+  486.2345 C24H32N5O6+ 4 486.2347 -0.35
+  521.2711 C24H37N6O7+ 5 521.2718 -1.32
+  531.2554 C25H35N6O7+ 4 531.2562 -1.48
+  532.2396 C25H34N5O8+ 4 532.2402 -1.03
+  541.3345 C25H45N6O7+ 4 541.3344 0.13
+  549.266 C25H37N6O8+ 4 549.2667 -1.43
+  725.3972 C36H53N8O8+ 1 725.3981 -1.25
+  726.3817 C36H52N7O9+ 1 726.3821 -0.5
+  743.4075 C36H55N8O9+ 1 743.4087 -1.55
+  761.4182 C36H57N8O10+ 1 761.4192 -1.35
+PK$NUM_PEAK: 21
+PK$PEAK: m/z int. rel.int.
+  101.0708 2103604.2 26
+  167.1541 861154.5 10
+  195.1488 16790592 212
+  213.1594 4155205 52
+  299.1711 949126.4 12
+  300.1913 8623355 109
+  349.1502 12851129 162
+  418.1717 2365888.2 29
+  434.2392 5679083.5 72
+  436.1823 1835864.8 23
+  462.2341 13649920 173
+  486.2345 1337289.2 16
+  521.2711 2523949.2 31
+  531.2554 10682549 135
+  532.2396 11584788 146
+  541.3345 1498799.2 19
+  549.266 28445986 360
+  725.3972 5866926 74
+  726.3817 3791608 48
+  743.4075 78795960 999
+  761.4182 38708420 490
+//
diff --git a/Eawag/MSBNK-EAWAG-ED216503.txt b/Eawag/MSBNK-EAWAG-ED216503.txt
new file mode 100644
index 0000000000..264f5605f0
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED216503.txt
@@ -0,0 +1,146 @@
+ACCESSION: MSBNK-EAWAG-ED216503
+RECORD_TITLE: Nostocyclopeptide Ncp-E2-L; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md18090442
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2165
+CH$NAME: Nostocyclopeptide Ncp-E2-L
+CH$NAME: 2-(2-(2-amino-3-(4-hydroxyphenyl)propanamido)acetamido)-N1-(1-((3-hydroxy-1-(2-((4-methyl-1-oxopentan-2-yl)carbamoyl)pyrrolidin-1-yl)-1-oxopropan-2-yl)amino)-3-methyl-1-oxopentan-2-yl)pentanediamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C36H56N8O10
+CH$EXACT_MASS: 760.41194
+CH$SMILES: O=C(NC(C(NC(C(NC(C(N1C(C(NC(CC(C)C)C([H])=O)=O)CCC1)=O)CO)=O)C(C)CC)=O)CCC(N)=O)CNC(C(CC2=CC=C(O)C=C2)N)=O
+CH$IUPAC: InChI=1S/C36H56N8O10/c1-5-21(4)31(35(53)42-27(19-46)36(54)44-14-6-7-28(44)34(52)40-23(18-45)15-20(2)3)43-33(51)26(12-13-29(38)48)41-30(49)17-39-32(50)25(37)16-22-8-10-24(47)11-9-22/h8-11,18,20-21,23,25-28,31,46-47H,5-7,12-17,19,37H2,1-4H3,(H2,38,48)(H,39,50)(H,40,52)(H,41,49)(H,42,53)(H,43,51)
+CH$LINK: PUBCHEM CID:155802014
+CH$LINK: INCHIKEY CLSDHBVHQKWEJR-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 79-798
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.960 min
+MS$FOCUSED_ION: BASE_PEAK 793.4441
+MS$FOCUSED_ION: PRECURSOR_M/Z 761.4192
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0002-0639570400-22502bd242d254d3afca
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  84.0444 C4H6NO+ 1 84.0444 -0.32
+  86.0964 C5H12N+ 1 86.0964 -0.12
+  101.0708 C4H9N2O+ 1 101.0709 -1.42
+  129.0655 C5H9N2O2+ 1 129.0659 -2.6
+  136.0755 C8H10NO+ 1 136.0757 -1.31
+  157.0973 C7H13N2O2+ 1 157.0972 0.98
+  167.1541 C10H19N2+ 1 167.1543 -1.31
+  185.0918 C8H13N2O3+ 1 185.0921 -1.54
+  186.0871 C7H12N3O3+ 1 186.0873 -0.91
+  195.1489 C11H19N2O+ 1 195.1492 -1.37
+  201.123 C9H17N2O3+ 2 201.1234 -1.77
+  213.1595 C11H21N2O2+ 1 213.1598 -1.23
+  214.1547 C10H20N3O2+ 1 214.155 -1.19
+  221.0919 C11H13N2O3+ 1 221.0921 -0.93
+  223.1072 C11H15N2O3+ 2 223.1077 -2.37
+  238.1185 C11H16N3O3+ 1 238.1186 -0.51
+  242.1496 C11H20N3O3+ 2 242.1499 -1.32
+  251.1024 C12H15N2O4+ 2 251.1026 -0.84
+  254.15 C12H20N3O3+ 1 254.1499 0.21
+  273.0867 C14H13N2O4+ 3 273.087 -0.95
+  290.1131 C14H16N3O4+ 3 290.1135 -1.55
+  299.1709 C13H23N4O4+ 3 299.1714 -1.63
+  300.1914 C14H26N3O4+ 3 300.1918 -1.17
+  311.1707 C14H23N4O4+ 3 311.1714 -2.2
+  312.1552 C14H22N3O5+ 4 312.1554 -0.55
+  321.1555 C15H21N4O4+ 4 321.1557 -0.83
+  329.1816 C14H25N4O5+ 3 329.1819 -1.09
+  349.1502 C16H21N4O5+ 3 349.1506 -1.24
+  386.2029 C30H26+ 5 386.2029 -0.07
+  391.1609 C18H23N4O6+ 5 391.1612 -0.76
+  395.265 C20H35N4O4+ 5 395.2653 -0.77
+  401.1453 C19H21N4O6+ 5 401.1456 -0.61
+  417.2125 C20H33O9+ 4 417.2119 1.3
+  418.1713 C33H22+ 5 418.1716 -0.76
+  429.2133 C22H29N4O5+ 5 429.2132 0.14
+  434.2395 C21H32N5O5+ 4 434.2398 -0.78
+  436.1821 C33H24O+ 6 436.1822 -0.19
+  462.2344 C36H30+ 5 462.2342 0.4
+  469.2075 C24H29N4O6+ 6 469.2082 -1.34
+  486.2341 C24H32N5O6+ 5 486.2347 -1.36
+  503.2612 C24H35N6O6+ 3 503.2613 -0.15
+  504.2451 C24H34N5O7+ 5 504.2453 -0.41
+  514.229 C25H32N5O7+ 4 514.2296 -1.3
+  521.2711 C24H37N6O7+ 5 521.2718 -1.44
+  531.2555 C25H35N6O7+ 4 531.2562 -1.36
+  532.2397 C25H34N5O8+ 3 532.2402 -0.91
+  541.3335 C25H45N6O7+ 4 541.3344 -1.67
+  549.2661 C25H37N6O8+ 4 549.2667 -1.09
+  725.3978 C36H53N8O8+ 1 725.3981 -0.41
+  726.3819 C36H52N7O9+ 1 726.3821 -0.25
+  743.4081 C36H55N8O9+ 1 743.4087 -0.81
+  761.419 C36H57N8O10+ 1 761.4192 -0.22
+PK$NUM_PEAK: 52
+PK$PEAK: m/z int. rel.int.
+  84.0444 1616662.9 50
+  86.0964 594356.1 18
+  101.0708 10763208 338
+  129.0655 519880.4 16
+  136.0755 1845972.9 57
+  157.0973 509973.3 16
+  167.1541 3572746.5 112
+  185.0918 1623856.9 51
+  186.0871 1669384.1 52
+  195.1489 22045764 692
+  201.123 930413.7 29
+  213.1595 10480813 329
+  214.1547 844590.9 26
+  221.0919 1017261.1 31
+  223.1072 333778.7 10
+  238.1185 966275.8 30
+  242.1496 1091532.5 34
+  251.1024 895362.2 28
+  254.15 674006.2 21
+  273.0867 2873553.2 90
+  290.1131 429611.6 13
+  299.1709 1897670.9 59
+  300.1914 12461578 391
+  311.1707 1293916 40
+  312.1552 1116971.4 35
+  321.1555 1641524.5 51
+  329.1816 1803786 56
+  349.1502 31797396 999
+  386.2029 1705793.4 53
+  391.1609 3536848.8 111
+  395.265 362645.1 11
+  401.1453 3834323.5 120
+  417.2125 1471315.6 46
+  418.1713 3588239.5 112
+  429.2133 967853.8 30
+  434.2395 7101782.5 223
+  436.1821 4227691 132
+  462.2344 8183474 257
+  469.2075 4097735.8 128
+  486.2341 2899575.8 91
+  503.2612 1107943.8 34
+  504.2451 5248533.5 164
+  514.229 7564427 237
+  521.2711 2774754.8 87
+  531.2555 6703249 210
+  532.2397 8328093 261
+  541.3335 759058.9 23
+  549.2661 13329911 418
+  725.3978 5097737 160
+  726.3819 2924190.8 91
+  743.4081 16489715 518
+  761.419 2956242.2 92
+//
diff --git a/Eawag/MSBNK-EAWAG-ED216504.txt b/Eawag/MSBNK-EAWAG-ED216504.txt
new file mode 100644
index 0000000000..25d2fcf7ac
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED216504.txt
@@ -0,0 +1,162 @@
+ACCESSION: MSBNK-EAWAG-ED216504
+RECORD_TITLE: Nostocyclopeptide Ncp-E2-L; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md18090442
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2165
+CH$NAME: Nostocyclopeptide Ncp-E2-L
+CH$NAME: 2-(2-(2-amino-3-(4-hydroxyphenyl)propanamido)acetamido)-N1-(1-((3-hydroxy-1-(2-((4-methyl-1-oxopentan-2-yl)carbamoyl)pyrrolidin-1-yl)-1-oxopropan-2-yl)amino)-3-methyl-1-oxopentan-2-yl)pentanediamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C36H56N8O10
+CH$EXACT_MASS: 760.41194
+CH$SMILES: O=C(NC(C(NC(C(NC(C(N1C(C(NC(CC(C)C)C([H])=O)=O)CCC1)=O)CO)=O)C(C)CC)=O)CCC(N)=O)CNC(C(CC2=CC=C(O)C=C2)N)=O
+CH$IUPAC: InChI=1S/C36H56N8O10/c1-5-21(4)31(35(53)42-27(19-46)36(54)44-14-6-7-28(44)34(52)40-23(18-45)15-20(2)3)43-33(51)26(12-13-29(38)48)41-30(49)17-39-32(50)25(37)16-22-8-10-24(47)11-9-22/h8-11,18,20-21,23,25-28,31,46-47H,5-7,12-17,19,37H2,1-4H3,(H2,38,48)(H,39,50)(H,40,52)(H,41,49)(H,42,53)(H,43,51)
+CH$LINK: PUBCHEM CID:155802014
+CH$LINK: INCHIKEY CLSDHBVHQKWEJR-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 79-798
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.960 min
+MS$FOCUSED_ION: BASE_PEAK 793.4441
+MS$FOCUSED_ION: PRECURSOR_M/Z 761.4192
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0f6t-0968220000-3d198c8cfb923d41fd96
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  84.0443 C4H6NO+ 1 84.0444 -0.51
+  86.0964 C5H12N+ 1 86.0964 -0.74
+  101.0708 C4H9N2O+ 1 101.0709 -1.12
+  116.1069 C6H14NO+ 1 116.107 -0.96
+  129.0656 C5H9N2O2+ 1 129.0659 -2.24
+  136.0755 C8H10NO+ 1 136.0757 -1.42
+  157.097 C7H13N2O2+ 1 157.0972 -0.87
+  167.1541 C10H19N2+ 1 167.1543 -1.22
+  169.0604 C7H9N2O3+ 1 169.0608 -1.91
+  185.092 C8H13N2O3+ 1 185.0921 -0.63
+  186.0871 C7H12N3O3+ 1 186.0873 -0.99
+  193.0969 C10H13N2O2+ 1 193.0972 -1.08
+  195.149 C11H19N2O+ 1 195.1492 -0.9
+  196.1445 C10H18N3O+ 1 196.1444 0.55
+  197.1283 C10H17N2O2+ 1 197.1285 -0.72
+  201.1233 C9H17N2O3+ 1 201.1234 -0.55
+  213.1596 C11H21N2O2+ 1 213.1598 -0.8
+  214.1549 C10H20N3O2+ 1 214.155 -0.26
+  221.092 C11H13N2O3+ 1 221.0921 -0.38
+  223.1075 C11H15N2O3+ 1 223.1077 -1
+  225.1234 C11H17N2O3+ 1 225.1234 0.35
+  238.1185 C11H16N3O3+ 1 238.1186 -0.51
+  242.1497 C11H20N3O3+ 2 242.1499 -0.88
+  245.092 C13H13N2O3+ 1 245.0921 -0.17
+  251.1025 C12H15N2O4+ 2 251.1026 -0.6
+  254.1496 C12H20N3O3+ 2 254.1499 -1.05
+  273.0868 C14H13N2O4+ 3 273.087 -0.5
+  280.129 C13H18N3O4+ 2 280.1292 -0.69
+  290.1134 C14H16N3O4+ 3 290.1135 -0.6
+  294.1442 C14H20N3O4+ 3 294.1448 -2.04
+  299.1711 C13H23N4O4+ 3 299.1714 -0.82
+  300.1917 C14H26N3O4+ 5 300.1918 -0.36
+  301.1543 C17H21N2O3+ 3 301.1547 -1.16
+  311.1712 C14H23N4O4+ 3 311.1714 -0.73
+  312.1551 C14H22N3O5+ 2 312.1554 -0.85
+  321.1556 C15H21N4O4+ 5 321.1557 -0.55
+  325.15 C13H25O9+ 3 325.1493 2.13
+  329.182 C14H25N4O5+ 5 329.1819 0.02
+  332.1244 C16H18N3O5+ 3 332.1241 0.99
+  349.1503 C16H21N4O5+ 5 349.1506 -0.98
+  369.1765 C16H25N4O6+ 5 369.1769 -1.02
+  386.203 C30H26+ 5 386.2029 0.33
+  391.1609 C18H23N4O6+ 5 391.1612 -0.92
+  395.2647 C20H35N4O4+ 5 395.2653 -1.54
+  401.1456 C19H21N4O6+ 5 401.1456 0
+  417.2124 C20H33O9+ 4 417.2119 1.23
+  429.2136 C22H29N4O5+ 5 429.2132 0.92
+  434.2396 C21H32N5O5+ 4 434.2398 -0.49
+  436.1822 C33H24O+ 5 436.1822 0.02
+  469.2081 C24H29N4O6+ 5 469.2082 -0.1
+  486.2345 C24H32N5O6+ 4 486.2347 -0.48
+  503.2606 C24H35N6O6+ 4 503.2613 -1.25
+  504.2449 C24H34N5O7+ 5 504.2453 -0.83
+  514.229 C25H32N5O7+ 4 514.2296 -1.3
+  531.2553 C25H35N6O7+ 4 531.2562 -1.59
+  532.2401 C25H34N5O8+ 3 532.2402 -0.11
+  549.266 C25H37N6O8+ 4 549.2667 -1.32
+  708.3718 C36H50N7O8+ 1 708.3715 0.43
+  725.3983 C36H53N8O8+ 1 725.3981 0.35
+  743.4091 C36H55N8O9+ 1 743.4087 0.59
+PK$NUM_PEAK: 60
+PK$PEAK: m/z int. rel.int.
+  84.0443 5363550.5 160
+  86.0964 1794123.4 53
+  101.0708 25006652 750
+  116.1069 621978.9 18
+  129.0656 740296.4 22
+  136.0755 6996852 209
+  157.097 2077314.8 62
+  167.1541 6732095.5 201
+  169.0604 556581.6 16
+  185.092 3613811.8 108
+  186.0871 4177852 125
+  193.0969 555797.3 16
+  195.149 13968839 419
+  196.1445 478962 14
+  197.1283 1459029.1 43
+  201.1233 2363134 70
+  213.1596 15051973 451
+  214.1549 1829051.1 54
+  221.092 4246280.5 127
+  223.1075 1395057.1 41
+  225.1234 604976.6 18
+  238.1185 3842823 115
+  242.1497 1474735.8 44
+  245.092 1202152.5 36
+  251.1025 1987468.2 59
+  254.1496 1842670.9 55
+  273.0868 6069151 182
+  280.129 448009.4 13
+  290.1134 1242369.9 37
+  294.1442 886430.9 26
+  299.1711 1919553.2 57
+  300.1917 10233571 306
+  301.1543 1322605.2 39
+  311.1712 2368237.2 71
+  312.1551 3130833.2 93
+  321.1556 3813172.2 114
+  325.15 1116257 33
+  329.182 2059542.1 61
+  332.1244 631668.2 18
+  349.1503 33302310 999
+  369.1765 1039780.1 31
+  386.203 2113890.2 63
+  391.1609 4744220.5 142
+  395.2647 471739.2 14
+  401.1456 2412230.2 72
+  417.2124 2377286 71
+  429.2136 1035627.6 31
+  434.2396 3728391 111
+  436.1822 2859008.2 85
+  469.2081 3231834.8 96
+  486.2345 2341443.5 70
+  503.2606 623262.1 18
+  504.2449 3395011.2 101
+  514.229 3079603.2 92
+  531.2553 1950939 58
+  532.2401 2381906.8 71
+  549.266 3647000.2 109
+  708.3718 507980.4 15
+  725.3983 1855931 55
+  743.4091 1344905.8 40
+//
diff --git a/Eawag/MSBNK-EAWAG-ED216505.txt b/Eawag/MSBNK-EAWAG-ED216505.txt
new file mode 100644
index 0000000000..ea2663495e
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED216505.txt
@@ -0,0 +1,142 @@
+ACCESSION: MSBNK-EAWAG-ED216505
+RECORD_TITLE: Nostocyclopeptide Ncp-E2-L; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md18090442
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2165
+CH$NAME: Nostocyclopeptide Ncp-E2-L
+CH$NAME: 2-(2-(2-amino-3-(4-hydroxyphenyl)propanamido)acetamido)-N1-(1-((3-hydroxy-1-(2-((4-methyl-1-oxopentan-2-yl)carbamoyl)pyrrolidin-1-yl)-1-oxopropan-2-yl)amino)-3-methyl-1-oxopentan-2-yl)pentanediamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C36H56N8O10
+CH$EXACT_MASS: 760.41194
+CH$SMILES: O=C(NC(C(NC(C(NC(C(N1C(C(NC(CC(C)C)C([H])=O)=O)CCC1)=O)CO)=O)C(C)CC)=O)CCC(N)=O)CNC(C(CC2=CC=C(O)C=C2)N)=O
+CH$IUPAC: InChI=1S/C36H56N8O10/c1-5-21(4)31(35(53)42-27(19-46)36(54)44-14-6-7-28(44)34(52)40-23(18-45)15-20(2)3)43-33(51)26(12-13-29(38)48)41-30(49)17-39-32(50)25(37)16-22-8-10-24(47)11-9-22/h8-11,18,20-21,23,25-28,31,46-47H,5-7,12-17,19,37H2,1-4H3,(H2,38,48)(H,39,50)(H,40,52)(H,41,49)(H,42,53)(H,43,51)
+CH$LINK: PUBCHEM CID:155802014
+CH$LINK: INCHIKEY CLSDHBVHQKWEJR-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 79-798
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.960 min
+MS$FOCUSED_ION: BASE_PEAK 793.4441
+MS$FOCUSED_ION: PRECURSOR_M/Z 761.4192
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0udr-1941000000-843f194f10d6ed8ca194
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  84.0443 C4H6NO+ 1 84.0444 -0.6
+  86.0964 C5H12N+ 1 86.0964 -0.65
+  101.0708 C4H9N2O+ 1 101.0709 -1.34
+  107.049 C7H7O+ 1 107.0491 -1.09
+  116.1066 C6H14NO+ 1 116.107 -3.46
+  129.0657 C5H9N2O2+ 1 129.0659 -1.3
+  136.0755 C8H10NO+ 1 136.0757 -1.65
+  147.0438 C9H7O2+ 1 147.0441 -1.52
+  148.0755 C9H10NO+ 1 148.0757 -1.21
+  157.0969 C7H13N2O2+ 1 157.0972 -1.36
+  167.0448 C7H7N2O3+ 1 167.0451 -1.61
+  167.0815 C8H11N2O2+ 1 167.0815 0.25
+  167.154 C10H19N2+ 1 167.1543 -1.4
+  169.0606 C7H9N2O3+ 1 169.0608 -1.01
+  176.0703 C10H10NO2+ 1 176.0706 -2.01
+  178.0858 C10H12NO2+ 2 178.0863 -2.79
+  185.0918 C8H13N2O3+ 1 185.0921 -1.37
+  186.0871 C7H12N3O3+ 1 186.0873 -0.99
+  193.097 C10H13N2O2+ 1 193.0972 -0.76
+  195.149 C11H19N2O+ 1 195.1492 -0.9
+  196.1442 C10H18N3O+ 1 196.1444 -1.24
+  197.1283 C10H17N2O2+ 1 197.1285 -1.03
+  201.1232 C9H17N2O3+ 1 201.1234 -0.78
+  204.0652 C11H10NO3+ 1 204.0655 -1.53
+  205.0968 C11H13N2O2+ 2 205.0972 -1.82
+  213.1596 C11H21N2O2+ 1 213.1598 -0.95
+  214.1548 C10H20N3O2+ 1 214.155 -1.11
+  217.0971 C12H13N2O2+ 1 217.0972 -0.26
+  221.092 C11H13N2O3+ 1 221.0921 -0.38
+  223.1076 C11H15N2O3+ 1 223.1077 -0.32
+  225.1234 C11H17N2O3+ 1 225.1234 -0.06
+  238.1185 C11H16N3O3+ 1 238.1186 -0.31
+  242.1497 C11H20N3O3+ 2 242.1499 -0.88
+  245.0921 C13H13N2O3+ 1 245.0921 0.27
+  251.1026 C12H15N2O4+ 1 251.1026 -0.23
+  254.1498 C12H20N3O3+ 2 254.1499 -0.51
+  263.103 C13H15N2O4+ 2 263.1026 1.4
+  273.0868 C14H13N2O4+ 3 273.087 -0.84
+  280.1294 C13H18N3O4+ 3 280.1292 0.83
+  294.1445 C14H20N3O4+ 3 294.1448 -1.01
+  301.1542 C17H21N2O3+ 3 301.1547 -1.47
+  304.1292 C15H18N3O4+ 5 304.1292 0.16
+  311.1713 C14H23N4O4+ 5 311.1714 -0.24
+  312.1551 C14H22N3O5+ 2 312.1554 -1.04
+  321.1555 C15H21N4O4+ 4 321.1557 -0.83
+  325.1494 C13H25O9+ 4 325.1493 0.16
+  329.1821 C14H25N4O5+ 5 329.1819 0.57
+  332.1237 C16H18N3O5+ 2 332.1241 -1.12
+  349.1504 C16H21N4O5+ 5 349.1506 -0.8
+  391.1613 C18H23N4O6+ 5 391.1612 0.25
+PK$NUM_PEAK: 50
+PK$PEAK: m/z int. rel.int.
+  84.0443 15571269 402
+  86.0964 4637883 119
+  101.0708 38648980 999
+  107.049 810773.8 20
+  116.1066 946276.9 24
+  129.0657 1420469.2 36
+  136.0755 21650426 559
+  147.0438 768299 19
+  148.0755 1066903.5 27
+  157.0969 4975262 128
+  167.0448 1113651.4 28
+  167.0815 475191.3 12
+  167.154 7550827 195
+  169.0606 1969068 50
+  176.0703 454868.5 11
+  178.0858 888006.1 22
+  185.0918 2974272.8 76
+  186.0871 6177872.5 159
+  193.097 2793898 72
+  195.149 3139438.2 81
+  196.1442 1724450.1 44
+  197.1283 4940857.5 127
+  201.1232 2459865.8 63
+  204.0652 403738.3 10
+  205.0968 601679.1 15
+  213.1596 14028327 362
+  214.1548 1931566.6 49
+  217.0971 446579.8 11
+  221.092 8406297 217
+  223.1076 2950794 76
+  225.1234 1693311.6 43
+  238.1185 7774692.5 200
+  242.1497 772085.8 19
+  245.0921 2152202.5 55
+  251.1026 1543534.9 39
+  254.1498 2702029.5 69
+  263.103 656130.1 16
+  273.0868 3066530 79
+  280.1294 1230809.2 31
+  294.1445 1065797.4 27
+  301.1542 686135.9 17
+  304.1292 1111958.8 28
+  311.1713 1875883.8 48
+  312.1551 2977655 76
+  321.1555 2731471.5 70
+  325.1494 549416.7 14
+  329.1821 633451.4 16
+  332.1237 1342791.4 34
+  349.1504 8406467 217
+  391.1613 970356.1 25
+//
diff --git a/Eawag/MSBNK-EAWAG-ED216506.txt b/Eawag/MSBNK-EAWAG-ED216506.txt
new file mode 100644
index 0000000000..61042f09c4
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED216506.txt
@@ -0,0 +1,154 @@
+ACCESSION: MSBNK-EAWAG-ED216506
+RECORD_TITLE: Nostocyclopeptide Ncp-E2-L; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md18090442
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2165
+CH$NAME: Nostocyclopeptide Ncp-E2-L
+CH$NAME: 2-(2-(2-amino-3-(4-hydroxyphenyl)propanamido)acetamido)-N1-(1-((3-hydroxy-1-(2-((4-methyl-1-oxopentan-2-yl)carbamoyl)pyrrolidin-1-yl)-1-oxopropan-2-yl)amino)-3-methyl-1-oxopentan-2-yl)pentanediamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C36H56N8O10
+CH$EXACT_MASS: 760.41194
+CH$SMILES: O=C(NC(C(NC(C(NC(C(N1C(C(NC(CC(C)C)C([H])=O)=O)CCC1)=O)CO)=O)C(C)CC)=O)CCC(N)=O)CNC(C(CC2=CC=C(O)C=C2)N)=O
+CH$IUPAC: InChI=1S/C36H56N8O10/c1-5-21(4)31(35(53)42-27(19-46)36(54)44-14-6-7-28(44)34(52)40-23(18-45)15-20(2)3)43-33(51)26(12-13-29(38)48)41-30(49)17-39-32(50)25(37)16-22-8-10-24(47)11-9-22/h8-11,18,20-21,23,25-28,31,46-47H,5-7,12-17,19,37H2,1-4H3,(H2,38,48)(H,39,50)(H,40,52)(H,41,49)(H,42,53)(H,43,51)
+CH$LINK: PUBCHEM CID:155802014
+CH$LINK: INCHIKEY CLSDHBVHQKWEJR-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 79-798
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.960 min
+MS$FOCUSED_ION: BASE_PEAK 793.4441
+MS$FOCUSED_ION: PRECURSOR_M/Z 761.4192
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0f80-2920000000-130a3d654d6438858c04
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  83.0604 C4H7N2+ 1 83.0604 -0.28
+  84.0443 C4H6NO+ 1 84.0444 -0.69
+  86.0963 C5H12N+ 1 86.0964 -0.92
+  91.0542 C7H7+ 1 91.0542 -0.34
+  101.0708 C4H9N2O+ 1 101.0709 -1.27
+  107.049 C7H7O+ 1 107.0491 -1.23
+  116.0343 C4H6NO3+ 1 116.0342 0.5
+  116.1068 C6H14NO+ 1 116.107 -1.68
+  119.049 C8H7O+ 1 119.0491 -1.11
+  129.0657 C5H9N2O2+ 1 129.0659 -1.18
+  136.0755 C8H10NO+ 1 136.0757 -1.76
+  141.0657 C6H9N2O2+ 1 141.0659 -1.42
+  144.1018 C7H14NO2+ 1 144.1019 -0.79
+  147.0438 C9H7O2+ 1 147.0441 -1.72
+  148.0755 C9H10NO+ 1 148.0757 -1.31
+  152.0341 C7H6NO3+ 1 152.0342 -1.02
+  157.097 C7H13N2O2+ 1 157.0972 -1.26
+  160.0753 C10H10NO+ 1 160.0757 -2.15
+  167.045 C7H7N2O3+ 1 167.0451 -0.98
+  167.0816 C8H11N2O2+ 1 167.0815 0.8
+  167.154 C10H19N2+ 1 167.1543 -1.4
+  169.0606 C7H9N2O3+ 1 169.0608 -1.28
+  169.1331 C9H17N2O+ 1 169.1335 -2.37
+  176.0706 C10H10NO2+ 1 176.0706 -0.02
+  178.086 C10H12NO2+ 1 178.0863 -1.34
+  185.0918 C8H13N2O3+ 1 185.0921 -1.37
+  186.0871 C7H12N3O3+ 1 186.0873 -1.16
+  189.1023 C11H13N2O+ 1 189.1022 0.44
+  193.0969 C10H13N2O2+ 1 193.0972 -1.16
+  195.1488 C11H19N2O+ 2 195.1492 -2.15
+  196.1443 C10H18N3O+ 1 196.1444 -0.46
+  197.1283 C10H17N2O2+ 1 197.1285 -1.03
+  201.1234 C9H17N2O3+ 1 201.1234 -0.02
+  204.0655 C11H10NO3+ 1 204.0655 -0.04
+  205.097 C11H13N2O2+ 1 205.0972 -0.63
+  213.1596 C11H21N2O2+ 1 213.1598 -0.8
+  214.1547 C10H20N3O2+ 2 214.155 -1.33
+  217.097 C12H13N2O2+ 1 217.0972 -0.54
+  221.092 C11H13N2O3+ 1 221.0921 -0.45
+  223.1076 C11H15N2O3+ 1 223.1077 -0.59
+  224.1395 C11H18N3O2+ 1 224.1394 0.43
+  225.1234 C11H17N2O3+ 1 225.1234 -0.06
+  237.1234 C12H17N2O3+ 1 237.1234 0.3
+  238.1185 C11H16N3O3+ 1 238.1186 -0.57
+  245.092 C13H13N2O3+ 1 245.0921 -0.23
+  251.1029 C12H15N2O4+ 2 251.1026 1.04
+  254.1497 C12H20N3O3+ 2 254.1499 -0.93
+  263.1026 C13H15N2O4+ 2 263.1026 -0.11
+  273.0871 C14H13N2O4+ 3 273.087 0.5
+  280.1293 C13H18N3O4+ 3 280.1292 0.29
+  294.1448 C14H20N3O4+ 5 294.1448 -0.28
+  304.1292 C15H18N3O4+ 5 304.1292 0.16
+  311.1716 C14H23N4O4+ 3 311.1714 0.74
+  312.1554 C14H22N3O5+ 4 312.1554 -0.07
+  332.1239 C16H18N3O5+ 4 332.1241 -0.48
+  349.1507 C16H21N4O5+ 5 349.1506 0.16
+PK$NUM_PEAK: 56
+PK$PEAK: m/z int. rel.int.
+  83.0604 602988 18
+  84.0443 25932296 795
+  86.0963 6811698 208
+  91.0542 1060702.5 32
+  101.0708 28305608 868
+  107.049 1174212 36
+  116.0343 334695.4 10
+  116.1068 1092395.2 33
+  119.049 1127441.5 34
+  129.0657 3160784.8 96
+  136.0755 32564398 999
+  141.0657 943351.9 28
+  144.1018 440639.7 13
+  147.0438 1466719 44
+  148.0755 2444922.5 75
+  152.0341 645659.8 19
+  157.097 3408614.2 104
+  160.0753 434646.3 13
+  167.045 682034.5 20
+  167.0816 617158.3 18
+  167.154 5042778.5 154
+  169.0606 2499475.2 76
+  169.1331 522021.7 16
+  176.0706 448281.4 13
+  178.086 1390663.9 42
+  185.0918 678656.8 20
+  186.0871 3310263.8 101
+  189.1023 567444.2 17
+  193.0969 3889951 119
+  195.1488 601616.2 18
+  196.1443 2202439 67
+  197.1283 5681487.5 174
+  201.1234 990671.1 30
+  204.0655 448271 13
+  205.097 334259.3 10
+  213.1596 7060777.5 216
+  214.1547 1026926.8 31
+  217.097 606443.2 18
+  221.092 5364723.5 164
+  223.1076 2528696 77
+  224.1395 331797.8 10
+  225.1234 1250395.5 38
+  237.1234 661273.4 20
+  238.1185 3385531.8 103
+  245.092 799337.1 24
+  251.1029 396895.5 12
+  254.1497 1193567.4 36
+  263.1026 445777.5 13
+  273.0871 563476.2 17
+  280.1293 440842.1 13
+  294.1448 469769.1 14
+  304.1292 367841.8 11
+  311.1716 510351.1 15
+  312.1554 1338757.9 41
+  332.1239 715561.5 21
+  349.1507 579682.9 17
+//
diff --git a/Eawag/MSBNK-EAWAG-ED216507.txt b/Eawag/MSBNK-EAWAG-ED216507.txt
new file mode 100644
index 0000000000..15b6afc4e4
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED216507.txt
@@ -0,0 +1,118 @@
+ACCESSION: MSBNK-EAWAG-ED216507
+RECORD_TITLE: Nostocyclopeptide Ncp-E2-L; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md18090442
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2165
+CH$NAME: Nostocyclopeptide Ncp-E2-L
+CH$NAME: 2-(2-(2-amino-3-(4-hydroxyphenyl)propanamido)acetamido)-N1-(1-((3-hydroxy-1-(2-((4-methyl-1-oxopentan-2-yl)carbamoyl)pyrrolidin-1-yl)-1-oxopropan-2-yl)amino)-3-methyl-1-oxopentan-2-yl)pentanediamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C36H56N8O10
+CH$EXACT_MASS: 760.41194
+CH$SMILES: O=C(NC(C(NC(C(NC(C(N1C(C(NC(CC(C)C)C([H])=O)=O)CCC1)=O)CO)=O)C(C)CC)=O)CCC(N)=O)CNC(C(CC2=CC=C(O)C=C2)N)=O
+CH$IUPAC: InChI=1S/C36H56N8O10/c1-5-21(4)31(35(53)42-27(19-46)36(54)44-14-6-7-28(44)34(52)40-23(18-45)15-20(2)3)43-33(51)26(12-13-29(38)48)41-30(49)17-39-32(50)25(37)16-22-8-10-24(47)11-9-22/h8-11,18,20-21,23,25-28,31,46-47H,5-7,12-17,19,37H2,1-4H3,(H2,38,48)(H,39,50)(H,40,52)(H,41,49)(H,42,53)(H,43,51)
+CH$LINK: PUBCHEM CID:155802014
+CH$LINK: INCHIKEY CLSDHBVHQKWEJR-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 79-798
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.960 min
+MS$FOCUSED_ION: BASE_PEAK 793.4441
+MS$FOCUSED_ION: PRECURSOR_M/Z 761.4192
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0019-4900000000-d0f1aa16074a5e960099
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  83.0604 C4H7N2+ 1 83.0604 -0.09
+  84.0443 C4H6NO+ 1 84.0444 -0.6
+  86.0964 C5H12N+ 1 86.0964 -0.74
+  91.0542 C7H7+ 1 91.0542 -0.68
+  96.0441 C5H6NO+ 1 96.0444 -2.74
+  101.0708 C4H9N2O+ 1 101.0709 -1.04
+  107.049 C7H7O+ 1 107.0491 -1.09
+  116.034 C4H6NO3+ 1 116.0342 -1.54
+  116.1068 C6H14NO+ 1 116.107 -1.36
+  119.049 C8H7O+ 1 119.0491 -0.92
+  121.0648 C8H9O+ 1 121.0648 0.13
+  124.0392 C6H6NO2+ 1 124.0393 -1.09
+  129.0657 C5H9N2O2+ 1 129.0659 -1.3
+  136.0755 C8H10NO+ 1 136.0757 -1.53
+  141.0656 C6H9N2O2+ 1 141.0659 -1.75
+  147.0438 C9H7O2+ 1 147.0441 -1.62
+  148.0755 C9H10NO+ 1 148.0757 -1.62
+  152.034 C7H6NO3+ 1 152.0342 -1.12
+  152.1068 C9H14NO+ 1 152.107 -1.23
+  157.0971 C7H13N2O2+ 1 157.0972 -0.48
+  160.0755 C10H10NO+ 1 160.0757 -0.91
+  167.0818 C8H11N2O2+ 1 167.0815 1.53
+  167.154 C10H19N2+ 1 167.1543 -1.4
+  169.0606 C7H9N2O3+ 1 169.0608 -1.1
+  169.1334 C9H17N2O+ 1 169.1335 -1.11
+  176.0704 C10H10NO2+ 1 176.0706 -0.88
+  178.086 C10H12NO2+ 1 178.0863 -1.17
+  186.0873 C7H12N3O3+ 1 186.0873 -0.26
+  189.1022 C11H13N2O+ 1 189.1022 -0.21
+  193.097 C10H13N2O2+ 1 193.0972 -0.84
+  196.1444 C10H18N3O+ 1 196.1444 -0.23
+  197.1283 C10H17N2O2+ 1 197.1285 -0.79
+  213.1597 C11H21N2O2+ 1 213.1598 -0.16
+  221.092 C11H13N2O3+ 1 221.0921 -0.45
+  223.1076 C11H15N2O3+ 1 223.1077 -0.53
+  225.1235 C11H17N2O3+ 1 225.1234 0.48
+  237.1236 C12H17N2O3+ 1 237.1234 0.82
+  238.1188 C11H16N3O3+ 2 238.1186 0.78
+PK$NUM_PEAK: 38
+PK$PEAK: m/z int. rel.int.
+  83.0604 1468529.1 32
+  84.0443 41223064 921
+  86.0964 9218636 206
+  91.0542 3438757.8 76
+  96.0441 507823.4 11
+  101.0708 20271512 453
+  107.049 1642652.2 36
+  116.034 491731.8 10
+  116.1068 1255373.2 28
+  119.049 3424621.2 76
+  121.0648 498864.4 11
+  124.0392 571944.2 12
+  129.0657 4667986 104
+  136.0755 44686836 999
+  141.0656 1095379.1 24
+  147.0438 2061875 46
+  148.0755 4464708.5 99
+  152.034 1545659.9 34
+  152.1068 469008.8 10
+  157.0971 1642698.2 36
+  160.0755 786346.8 17
+  167.0818 614884.9 13
+  167.154 3103320.8 69
+  169.0606 2067675.2 46
+  169.1334 677158.8 15
+  176.0704 571299.1 12
+  178.086 1940231.9 43
+  186.0873 1173086.4 26
+  189.1022 584688.1 13
+  193.097 3121465.8 69
+  196.1444 1624692.8 36
+  197.1283 4771986.5 106
+  213.1597 2261377 50
+  221.092 2251654.2 50
+  223.1076 1479758.8 33
+  225.1235 621806.3 13
+  237.1236 827121.2 18
+  238.1188 712930.2 15
+//
diff --git a/Eawag/MSBNK-EAWAG-ED216508.txt b/Eawag/MSBNK-EAWAG-ED216508.txt
new file mode 100644
index 0000000000..f20cdf024a
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED216508.txt
@@ -0,0 +1,80 @@
+ACCESSION: MSBNK-EAWAG-ED216508
+RECORD_TITLE: Nostocyclopeptide Ncp-E2-L; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md18090442
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2165
+CH$NAME: Nostocyclopeptide Ncp-E2-L
+CH$NAME: 2-(2-(2-amino-3-(4-hydroxyphenyl)propanamido)acetamido)-N1-(1-((3-hydroxy-1-(2-((4-methyl-1-oxopentan-2-yl)carbamoyl)pyrrolidin-1-yl)-1-oxopropan-2-yl)amino)-3-methyl-1-oxopentan-2-yl)pentanediamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C36H56N8O10
+CH$EXACT_MASS: 760.41194
+CH$SMILES: O=C(NC(C(NC(C(NC(C(N1C(C(NC(CC(C)C)C([H])=O)=O)CCC1)=O)CO)=O)C(C)CC)=O)CCC(N)=O)CNC(C(CC2=CC=C(O)C=C2)N)=O
+CH$IUPAC: InChI=1S/C36H56N8O10/c1-5-21(4)31(35(53)42-27(19-46)36(54)44-14-6-7-28(44)34(52)40-23(18-45)15-20(2)3)43-33(51)26(12-13-29(38)48)41-30(49)17-39-32(50)25(37)16-22-8-10-24(47)11-9-22/h8-11,18,20-21,23,25-28,31,46-47H,5-7,12-17,19,37H2,1-4H3,(H2,38,48)(H,39,50)(H,40,52)(H,41,49)(H,42,53)(H,43,51)
+CH$LINK: PUBCHEM CID:155802014
+CH$LINK: INCHIKEY CLSDHBVHQKWEJR-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 79-798
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.960 min
+MS$FOCUSED_ION: BASE_PEAK 793.4441
+MS$FOCUSED_ION: PRECURSOR_M/Z 761.4192
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0019-7900000000-3c8658eef55ff993cbf3
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  83.0603 C4H7N2+ 1 83.0604 -0.46
+  84.0443 C4H6NO+ 1 84.0444 -0.87
+  86.0963 C5H12N+ 1 86.0964 -1.01
+  91.0541 C7H7+ 1 91.0542 -1.01
+  96.0443 C5H6NO+ 1 96.0444 -0.75
+  101.0708 C4H9N2O+ 1 101.0709 -1.27
+  116.1069 C6H14NO+ 1 116.107 -0.76
+  119.049 C8H7O+ 1 119.0491 -1.3
+  129.0656 C5H9N2O2+ 1 129.0659 -1.65
+  136.0754 C8H10NO+ 1 136.0757 -1.87
+  141.0655 C6H9N2O2+ 1 141.0659 -2.72
+  147.0437 C9H7O2+ 1 147.0441 -2.14
+  148.0754 C9H10NO+ 1 148.0757 -1.72
+  152.034 C7H6NO3+ 1 152.0342 -1.72
+  152.1065 C9H14NO+ 1 152.107 -3.14
+  178.0862 C10H12NO2+ 1 178.0863 -0.14
+  193.0969 C10H13N2O2+ 1 193.0972 -1.31
+  196.1443 C10H18N3O+ 1 196.1444 -0.54
+  197.1282 C10H17N2O2+ 1 197.1285 -1.1
+PK$NUM_PEAK: 19
+PK$PEAK: m/z int. rel.int.
+  83.0603 1661639.6 38
+  84.0443 43236712 999
+  86.0963 7806989.5 180
+  91.0541 6332657 146
+  96.0443 868389.7 20
+  101.0708 9176514 212
+  116.1069 1031452.2 23
+  119.049 5117766.5 118
+  129.0656 3311010 76
+  136.0754 39013888 901
+  141.0655 828660.6 19
+  147.0437 1579137.4 36
+  148.0754 3693105.2 85
+  152.034 1405311.1 32
+  152.1065 586489 13
+  178.0862 936773.4 21
+  193.0969 947355.7 21
+  196.1443 680069.8 15
+  197.1282 1709133.4 39
+//
diff --git a/Eawag/MSBNK-EAWAG-ED216509.txt b/Eawag/MSBNK-EAWAG-ED216509.txt
new file mode 100644
index 0000000000..36f412c6ac
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED216509.txt
@@ -0,0 +1,70 @@
+ACCESSION: MSBNK-EAWAG-ED216509
+RECORD_TITLE: Nostocyclopeptide Ncp-E2-L; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M+H]+; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md18090442
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2165
+CH$NAME: Nostocyclopeptide Ncp-E2-L
+CH$NAME: 2-(2-(2-amino-3-(4-hydroxyphenyl)propanamido)acetamido)-N1-(1-((3-hydroxy-1-(2-((4-methyl-1-oxopentan-2-yl)carbamoyl)pyrrolidin-1-yl)-1-oxopropan-2-yl)amino)-3-methyl-1-oxopentan-2-yl)pentanediamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C36H56N8O10
+CH$EXACT_MASS: 760.41194
+CH$SMILES: O=C(NC(C(NC(C(NC(C(N1C(C(NC(CC(C)C)C([H])=O)=O)CCC1)=O)CO)=O)C(C)CC)=O)CCC(N)=O)CNC(C(CC2=CC=C(O)C=C2)N)=O
+CH$IUPAC: InChI=1S/C36H56N8O10/c1-5-21(4)31(35(53)42-27(19-46)36(54)44-14-6-7-28(44)34(52)40-23(18-45)15-20(2)3)43-33(51)26(12-13-29(38)48)41-30(49)17-39-32(50)25(37)16-22-8-10-24(47)11-9-22/h8-11,18,20-21,23,25-28,31,46-47H,5-7,12-17,19,37H2,1-4H3,(H2,38,48)(H,39,50)(H,40,52)(H,41,49)(H,42,53)(H,43,51)
+CH$LINK: PUBCHEM CID:155802014
+CH$LINK: INCHIKEY CLSDHBVHQKWEJR-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 79-798
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.960 min
+MS$FOCUSED_ION: BASE_PEAK 793.4441
+MS$FOCUSED_ION: PRECURSOR_M/Z 761.4192
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-001r-9700000000-e8f2b7bca47697196e9d
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  84.0443 C4H6NO+ 1 84.0444 -0.78
+  86.0964 C5H12N+ 1 86.0964 -0.83
+  91.0541 C7H7+ 1 91.0542 -0.93
+  96.0443 C5H6NO+ 1 96.0444 -0.83
+  101.0708 C4H9N2O+ 1 101.0709 -0.89
+  119.049 C8H7O+ 1 119.0491 -1.43
+  121.0647 C8H9O+ 1 121.0648 -1.13
+  136.0755 C8H10NO+ 1 136.0757 -1.76
+  147.0437 C9H7O2+ 1 147.0441 -2.35
+  148.0755 C9H10NO+ 1 148.0757 -1.41
+  152.0339 C7H6NO3+ 1 152.0342 -1.92
+  167.1541 C10H19N2+ 1 167.1543 -1.13
+  178.0859 C10H12NO2+ 1 178.0863 -2.02
+  197.1283 C10H17N2O2+ 1 197.1285 -0.95
+PK$NUM_PEAK: 14
+PK$PEAK: m/z int. rel.int.
+  84.0443 48575680 999
+  86.0964 6977751 143
+  91.0541 13750009 282
+  96.0443 1512559.9 31
+  101.0708 4727277 97
+  119.049 9112233 187
+  121.0647 1086784.5 22
+  136.0755 35751152 735
+  147.0437 1440505.9 29
+  148.0755 2874295.2 59
+  152.0339 1149014 23
+  167.1541 627057.4 12
+  178.0859 545026.1 11
+  197.1283 491309.2 10
+//
diff --git a/Eawag/MSBNK-EAWAG-ED216551.txt b/Eawag/MSBNK-EAWAG-ED216551.txt
new file mode 100644
index 0000000000..28ea24c8ef
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED216551.txt
@@ -0,0 +1,48 @@
+ACCESSION: MSBNK-EAWAG-ED216551
+RECORD_TITLE: Nostocyclopeptide Ncp-E2-L; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md18090442
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2165
+CH$NAME: Nostocyclopeptide Ncp-E2-L
+CH$NAME: 2-(2-(2-amino-3-(4-hydroxyphenyl)propanamido)acetamido)-N1-(1-((3-hydroxy-1-(2-((4-methyl-1-oxopentan-2-yl)carbamoyl)pyrrolidin-1-yl)-1-oxopropan-2-yl)amino)-3-methyl-1-oxopentan-2-yl)pentanediamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C36H56N8O10
+CH$EXACT_MASS: 760.41194
+CH$SMILES: O=C(NC(C(NC(C(NC(C(N1C(C(NC(CC(C)C)C([H])=O)=O)CCC1)=O)CO)=O)C(C)CC)=O)CCC(N)=O)CNC(C(CC2=CC=C(O)C=C2)N)=O
+CH$IUPAC: InChI=1S/C36H56N8O10/c1-5-21(4)31(35(53)42-27(19-46)36(54)44-14-6-7-28(44)34(52)40-23(18-45)15-20(2)3)43-33(51)26(12-13-29(38)48)41-30(49)17-39-32(50)25(37)16-22-8-10-24(47)11-9-22/h8-11,18,20-21,23,25-28,31,46-47H,5-7,12-17,19,37H2,1-4H3,(H2,38,48)(H,39,50)(H,40,52)(H,41,49)(H,42,53)(H,43,51)
+CH$LINK: PUBCHEM CID:155802014
+CH$LINK: INCHIKEY CLSDHBVHQKWEJR-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 79-796
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.973 min
+MS$FOCUSED_ION: BASE_PEAK 837.4369
+MS$FOCUSED_ION: PRECURSOR_M/Z 759.4047
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-004i-0000000900-183618e66c283b048941
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  711.3819 C35H51N8O8- 1 711.3835 -2.27
+  729.3946 C35H53N8O9- 1 729.3941 0.64
+  741.3939 C36H53N8O9- 1 741.3941 -0.27
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  711.3819 735633.4 10
+  729.3946 68837520 999
+  741.3939 1098400.4 15
+//
diff --git a/Eawag/MSBNK-EAWAG-ED216552.txt b/Eawag/MSBNK-EAWAG-ED216552.txt
new file mode 100644
index 0000000000..25c819efc7
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED216552.txt
@@ -0,0 +1,50 @@
+ACCESSION: MSBNK-EAWAG-ED216552
+RECORD_TITLE: Nostocyclopeptide Ncp-E2-L; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md18090442
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2165
+CH$NAME: Nostocyclopeptide Ncp-E2-L
+CH$NAME: 2-(2-(2-amino-3-(4-hydroxyphenyl)propanamido)acetamido)-N1-(1-((3-hydroxy-1-(2-((4-methyl-1-oxopentan-2-yl)carbamoyl)pyrrolidin-1-yl)-1-oxopropan-2-yl)amino)-3-methyl-1-oxopentan-2-yl)pentanediamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C36H56N8O10
+CH$EXACT_MASS: 760.41194
+CH$SMILES: O=C(NC(C(NC(C(NC(C(N1C(C(NC(CC(C)C)C([H])=O)=O)CCC1)=O)CO)=O)C(C)CC)=O)CCC(N)=O)CNC(C(CC2=CC=C(O)C=C2)N)=O
+CH$IUPAC: InChI=1S/C36H56N8O10/c1-5-21(4)31(35(53)42-27(19-46)36(54)44-14-6-7-28(44)34(52)40-23(18-45)15-20(2)3)43-33(51)26(12-13-29(38)48)41-30(49)17-39-32(50)25(37)16-22-8-10-24(47)11-9-22/h8-11,18,20-21,23,25-28,31,46-47H,5-7,12-17,19,37H2,1-4H3,(H2,38,48)(H,39,50)(H,40,52)(H,41,49)(H,42,53)(H,43,51)
+CH$LINK: PUBCHEM CID:155802014
+CH$LINK: INCHIKEY CLSDHBVHQKWEJR-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 79-796
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.973 min
+MS$FOCUSED_ION: BASE_PEAK 837.4369
+MS$FOCUSED_ION: PRECURSOR_M/Z 759.4047
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-004i-0000000900-51fa390aa3add7d636dd
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  347.1356 C16H19N4O5- 3 347.1361 -1.52
+  711.3841 C35H51N8O8- 1 711.3835 0.74
+  729.3945 C35H53N8O9- 1 729.3941 0.56
+  741.3935 C36H53N8O9- 1 741.3941 -0.85
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  347.1356 1169045.4 15
+  711.3841 2215281.5 29
+  729.3945 76004816 999
+  741.3935 1246931.4 16
+//
diff --git a/Eawag/MSBNK-EAWAG-ED216553.txt b/Eawag/MSBNK-EAWAG-ED216553.txt
new file mode 100644
index 0000000000..83336cc744
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED216553.txt
@@ -0,0 +1,56 @@
+ACCESSION: MSBNK-EAWAG-ED216553
+RECORD_TITLE: Nostocyclopeptide Ncp-E2-L; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md18090442
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2165
+CH$NAME: Nostocyclopeptide Ncp-E2-L
+CH$NAME: 2-(2-(2-amino-3-(4-hydroxyphenyl)propanamido)acetamido)-N1-(1-((3-hydroxy-1-(2-((4-methyl-1-oxopentan-2-yl)carbamoyl)pyrrolidin-1-yl)-1-oxopropan-2-yl)amino)-3-methyl-1-oxopentan-2-yl)pentanediamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C36H56N8O10
+CH$EXACT_MASS: 760.41194
+CH$SMILES: O=C(NC(C(NC(C(NC(C(N1C(C(NC(CC(C)C)C([H])=O)=O)CCC1)=O)CO)=O)C(C)CC)=O)CCC(N)=O)CNC(C(CC2=CC=C(O)C=C2)N)=O
+CH$IUPAC: InChI=1S/C36H56N8O10/c1-5-21(4)31(35(53)42-27(19-46)36(54)44-14-6-7-28(44)34(52)40-23(18-45)15-20(2)3)43-33(51)26(12-13-29(38)48)41-30(49)17-39-32(50)25(37)16-22-8-10-24(47)11-9-22/h8-11,18,20-21,23,25-28,31,46-47H,5-7,12-17,19,37H2,1-4H3,(H2,38,48)(H,39,50)(H,40,52)(H,41,49)(H,42,53)(H,43,51)
+CH$LINK: PUBCHEM CID:155802014
+CH$LINK: INCHIKEY CLSDHBVHQKWEJR-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 79-796
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.973 min
+MS$FOCUSED_ION: BASE_PEAK 837.4369
+MS$FOCUSED_ION: PRECURSOR_M/Z 759.4047
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-004i-0000000900-79206c279c3b780fee12
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  219.0765 C11H11N2O3- 2 219.0775 -4.65
+  236.1031 C9H12N6O2- 2 236.1027 1.57
+  347.1355 C16H19N4O5- 3 347.1361 -1.78
+  364.1622 C16H22N5O5- 4 364.1626 -1.22
+  711.3833 C35H51N8O8- 1 711.3835 -0.38
+  729.3945 C35H53N8O9- 1 729.3941 0.56
+  741.3936 C36H53N8O9- 1 741.3941 -0.68
+PK$NUM_PEAK: 7
+PK$PEAK: m/z int. rel.int.
+  219.0765 649216.7 11
+  236.1031 1961251 33
+  347.1355 3356342.5 57
+  364.1622 2113664.5 36
+  711.3833 3873997.2 66
+  729.3945 58544620 999
+  741.3936 634310.5 10
+//
diff --git a/Eawag/MSBNK-EAWAG-ED216554.txt b/Eawag/MSBNK-EAWAG-ED216554.txt
new file mode 100644
index 0000000000..3c3c5c3a7b
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED216554.txt
@@ -0,0 +1,94 @@
+ACCESSION: MSBNK-EAWAG-ED216554
+RECORD_TITLE: Nostocyclopeptide Ncp-E2-L; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md18090442
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2165
+CH$NAME: Nostocyclopeptide Ncp-E2-L
+CH$NAME: 2-(2-(2-amino-3-(4-hydroxyphenyl)propanamido)acetamido)-N1-(1-((3-hydroxy-1-(2-((4-methyl-1-oxopentan-2-yl)carbamoyl)pyrrolidin-1-yl)-1-oxopropan-2-yl)amino)-3-methyl-1-oxopentan-2-yl)pentanediamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C36H56N8O10
+CH$EXACT_MASS: 760.41194
+CH$SMILES: O=C(NC(C(NC(C(NC(C(N1C(C(NC(CC(C)C)C([H])=O)=O)CCC1)=O)CO)=O)C(C)CC)=O)CCC(N)=O)CNC(C(CC2=CC=C(O)C=C2)N)=O
+CH$IUPAC: InChI=1S/C36H56N8O10/c1-5-21(4)31(35(53)42-27(19-46)36(54)44-14-6-7-28(44)34(52)40-23(18-45)15-20(2)3)43-33(51)26(12-13-29(38)48)41-30(49)17-39-32(50)25(37)16-22-8-10-24(47)11-9-22/h8-11,18,20-21,23,25-28,31,46-47H,5-7,12-17,19,37H2,1-4H3,(H2,38,48)(H,39,50)(H,40,52)(H,41,49)(H,42,53)(H,43,51)
+CH$LINK: PUBCHEM CID:155802014
+CH$LINK: INCHIKEY CLSDHBVHQKWEJR-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 79-796
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.973 min
+MS$FOCUSED_ION: BASE_PEAK 837.4369
+MS$FOCUSED_ION: PRECURSOR_M/Z 759.4047
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-004i-0032000900-1629dca54aa6d6cf2d90
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  127.0511 C5H7N2O2- 1 127.0513 -1.33
+  167.0455 C5H5N5O2- 2 167.0449 4.02
+  169.0974 C8H13N2O2- 2 169.0983 -4.84
+  179.0819 C9H11N2O2- 2 179.0826 -4.19
+  211.1441 C9H17N5O- 1 211.1439 1.25
+  219.0765 C11H11N2O3- 2 219.0775 -4.72
+  222.1233 C9H14N6O- 1 222.1235 -0.71
+  223.1076 C9H13N5O2- 1 223.1075 0.5
+  236.1031 C9H12N6O2- 2 236.1027 1.51
+  268.1656 C13H22N3O3- 2 268.1667 -3.84
+  297.1556 C12H25O8- 4 297.1555 0.28
+  346.1515 C16H20N5O4- 3 346.1521 -1.68
+  364.162 C16H22N5O5- 3 364.1626 -1.63
+  381.25 C19H33N4O4- 3 381.2507 -1.96
+  407.2304 C20H31N4O5- 5 407.23 0.88
+  492.2823 C24H38N5O6- 5 492.2828 -0.87
+  509.3091 C24H41N6O6- 4 509.3093 -0.31
+  535.2503 C24H35N6O8- 6 535.2522 -3.59
+  574.2999 C27H40N7O7- 4 574.2995 0.74
+  588.3147 C28H42N7O7- 3 588.3151 -0.64
+  605.3408 C30H47N5O8- 3 605.343 -3.61
+  614.2951 C31H42N4O9- 4 614.2957 -1.08
+  623.353 C30H49N5O9- 3 623.3536 -0.94
+  658.3566 C32H48N7O8- 4 658.357 -0.64
+  711.3839 C35H51N8O8- 1 711.3835 0.57
+  729.3943 C35H53N8O9- 1 729.3941 0.3
+PK$NUM_PEAK: 26
+PK$PEAK: m/z int. rel.int.
+  127.0511 430053.3 15
+  167.0455 293566.6 10
+  169.0974 341924.8 12
+  179.0819 506406 18
+  211.1441 795960.8 28
+  219.0765 2097163.5 75
+  222.1233 290917.1 10
+  223.1076 422207.5 15
+  236.1031 5766374 207
+  268.1656 815662.9 29
+  297.1556 398321.8 14
+  346.1515 407245.4 14
+  364.162 5595970 201
+  381.25 1044480 37
+  407.2304 373375.1 13
+  492.2823 495768.1 17
+  509.3091 971846.8 34
+  535.2503 282145 10
+  574.2999 843628.1 30
+  588.3147 766727.8 27
+  605.3408 549913.8 19
+  614.2951 1788813.9 64
+  623.353 308283 11
+  658.3566 483177.8 17
+  711.3839 3716669.8 133
+  729.3943 27766618 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED216555.txt b/Eawag/MSBNK-EAWAG-ED216555.txt
new file mode 100644
index 0000000000..5b49a644c0
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED216555.txt
@@ -0,0 +1,168 @@
+ACCESSION: MSBNK-EAWAG-ED216555
+RECORD_TITLE: Nostocyclopeptide Ncp-E2-L; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md18090442
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2165
+CH$NAME: Nostocyclopeptide Ncp-E2-L
+CH$NAME: 2-(2-(2-amino-3-(4-hydroxyphenyl)propanamido)acetamido)-N1-(1-((3-hydroxy-1-(2-((4-methyl-1-oxopentan-2-yl)carbamoyl)pyrrolidin-1-yl)-1-oxopropan-2-yl)amino)-3-methyl-1-oxopentan-2-yl)pentanediamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C36H56N8O10
+CH$EXACT_MASS: 760.41194
+CH$SMILES: O=C(NC(C(NC(C(NC(C(N1C(C(NC(CC(C)C)C([H])=O)=O)CCC1)=O)CO)=O)C(C)CC)=O)CCC(N)=O)CNC(C(CC2=CC=C(O)C=C2)N)=O
+CH$IUPAC: InChI=1S/C36H56N8O10/c1-5-21(4)31(35(53)42-27(19-46)36(54)44-14-6-7-28(44)34(52)40-23(18-45)15-20(2)3)43-33(51)26(12-13-29(38)48)41-30(49)17-39-32(50)25(37)16-22-8-10-24(47)11-9-22/h8-11,18,20-21,23,25-28,31,46-47H,5-7,12-17,19,37H2,1-4H3,(H2,38,48)(H,39,50)(H,40,52)(H,41,49)(H,42,53)(H,43,51)
+CH$LINK: PUBCHEM CID:155802014
+CH$LINK: INCHIKEY CLSDHBVHQKWEJR-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 79-796
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.973 min
+MS$FOCUSED_ION: BASE_PEAK 837.4369
+MS$FOCUSED_ION: PRECURSOR_M/Z 759.4047
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-02ti-0691000000-324b97443cb82731652e
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  82.0297 C4H4NO- 1 82.0298 -1.9
+  84.009 C3H2NO2- 1 84.0091 -0.89
+  95.025 C4H3N2O- 1 95.0251 -0.69
+  107.0504 C7H7O- 1 107.0502 1.39
+  109.0404 C5H5N2O- 1 109.0407 -3.11
+  111.0199 C4H3N2O2- 1 111.02 -1.09
+  113.0356 C4H5N2O2- 1 113.0357 -0.43
+  113.072 C5H9N2O- 1 113.072 -0.71
+  114.0558 C5H8NO2- 1 114.0561 -2.08
+  119.0501 C8H7O- 1 119.0502 -0.78
+  123.0561 C6H7N2O- 1 123.0564 -2.12
+  124.0404 C6H6NO2- 1 124.0404 -0.11
+  126.0194 C5H4NO3- 1 126.0197 -1.89
+  127.0511 C5H7N2O2- 1 127.0513 -1.39
+  128.0462 C4H6N3O2- 1 128.0466 -2.72
+  129.1033 C6H13N2O- 1 129.1033 -0.08
+  130.062 C4H8N3O2- 1 130.0622 -1.4
+  134.061 C8H8NO- 1 134.0611 -0.79
+  136.0764 C8H10NO- 1 136.0768 -2.57
+  140.0714 C7H10NO2- 1 140.0717 -2.08
+  144.0775 C5H10N3O2- 1 144.0779 -2.56
+  148.0513 C7H6N3O- 1 148.0516 -2.32
+  149.0353 C7H5N2O2- 1 149.0357 -2.44
+  153.0665 C7H9N2O2- 1 153.067 -2.63
+  153.1015 C6H11N5- 1 153.102 -3.28
+  155.0823 C7H11N2O2- 1 155.0826 -1.93
+  162.0557 C9H8NO2- 1 162.0561 -2.08
+  166.0616 C7H8N3O2- 2 166.0622 -3.76
+  167.0456 C5H5N5O2- 2 167.0449 4.57
+  169.0975 C8H13N2O2- 2 169.0983 -4.39
+  175.087 C10H11N2O- 2 175.0877 -3.97
+  179.0819 C9H11N2O2- 2 179.0826 -4.02
+  181.0977 C9H13N2O2- 2 181.0983 -3.05
+  184.0718 C5H8N6O2- 1 184.0714 1.85
+  186.1238 C6H14N6O- 1 186.1235 1.89
+  191.0816 C8H9N5O- 1 191.0813 1.71
+  196.1446 C8H16N6- 2 196.1442 2.25
+  201.0981 C6H17O7- 2 201.098 0.82
+  209.1283 C9H15N5O- 1 209.1282 0.48
+  211.1443 C9H17N5O- 2 211.1439 1.9
+  219.0766 C11H11N2O3- 2 219.0775 -4.37
+  222.1238 C9H14N6O- 2 222.1235 1.77
+  223.1075 C9H13N5O2- 1 223.1075 0.09
+  227.1758 C10H21N5O- 2 227.1752 2.69
+  236.1032 C9H12N6O2- 2 236.1027 1.96
+  239.1507 C10H23O6- 3 239.15 2.76
+  240.1347 C11H18N3O3- 2 240.1354 -2.78
+  240.1706 C10H20N6O- 2 240.1704 0.93
+  250.1196 C12H16N3O3- 2 250.1197 -0.61
+  250.1546 C11H18N6O- 2 250.1548 -0.46
+  258.1193 C7H14N8O3- 3 258.1194 -0.53
+  266.1502 C11H18N6O2- 2 266.1497 1.82
+  268.1658 C13H22N3O3- 2 268.1667 -3.38
+  293.125 C13H17N4O4- 3 293.1255 -1.78
+  297.1561 C12H25O8- 3 297.1555 2.02
+  364.162 C16H22N5O5- 3 364.1626 -1.72
+  381.2503 C19H33N4O4- 5 381.2507 -1.16
+  407.23 C20H31N4O5- 5 407.23 -0.02
+  509.3093 C24H41N6O6- 3 509.3093 -0.07
+  588.3147 C28H42N7O7- 3 588.3151 -0.64
+  614.2955 C31H42N4O9- 5 614.2957 -0.29
+  658.3575 C32H48N7O8- 4 658.357 0.84
+  729.3943 C35H53N8O9- 1 729.3941 0.22
+PK$NUM_PEAK: 63
+PK$PEAK: m/z int. rel.int.
+  82.0297 99109.5 14
+  84.009 343659 50
+  95.025 167696.1 24
+  107.0504 97984.2 14
+  109.0404 80491.8 11
+  111.0199 191991.8 28
+  113.0356 284160.8 41
+  113.072 261168.4 38
+  114.0558 95542.6 14
+  119.0501 92067.7 13
+  123.0561 324829.8 47
+  124.0404 78705.4 11
+  126.0194 518172.8 76
+  127.0511 1174360.4 173
+  128.0462 215127.6 31
+  129.1033 164916.3 24
+  130.062 804309.3 118
+  134.061 217619.6 32
+  136.0764 129582.9 19
+  140.0714 317739.2 46
+  144.0775 861049.5 126
+  148.0513 81967.8 12
+  149.0353 88254.1 13
+  153.0665 889357.5 131
+  153.1015 110926 16
+  155.0823 147727.6 21
+  162.0557 75904.4 11
+  166.0616 2851675.5 420
+  167.0456 382567.2 56
+  169.0975 1053022 155
+  175.087 88715 13
+  179.0819 1750552 257
+  181.0977 133753.6 19
+  184.0718 269055.2 39
+  186.1238 92482.8 13
+  191.0816 87018.4 12
+  196.1446 127065.8 18
+  201.0981 243140.3 35
+  209.1283 94795.7 13
+  211.1443 4215463.5 621
+  219.0766 2600513.2 383
+  222.1238 571793.8 84
+  223.1075 362907.7 53
+  227.1758 151109.5 22
+  236.1032 6781349.5 999
+  239.1507 100655.2 14
+  240.1347 231750.5 34
+  240.1706 155606.7 22
+  250.1196 93517.8 13
+  250.1546 524057.3 77
+  258.1193 262321.1 38
+  266.1502 407162.8 59
+  268.1658 1987617.6 292
+  293.125 923051.1 135
+  297.1561 209636.6 30
+  364.162 2484065.2 365
+  381.2503 510730.1 75
+  407.23 292172.1 43
+  509.3093 348398.8 51
+  588.3147 289062.3 42
+  614.2955 366815.2 54
+  658.3575 87933.3 12
+  729.3943 603541.1 88
+//
diff --git a/Eawag/MSBNK-EAWAG-ED216556.txt b/Eawag/MSBNK-EAWAG-ED216556.txt
new file mode 100644
index 0000000000..c8a2643f90
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED216556.txt
@@ -0,0 +1,192 @@
+ACCESSION: MSBNK-EAWAG-ED216556
+RECORD_TITLE: Nostocyclopeptide Ncp-E2-L; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md18090442
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2165
+CH$NAME: Nostocyclopeptide Ncp-E2-L
+CH$NAME: 2-(2-(2-amino-3-(4-hydroxyphenyl)propanamido)acetamido)-N1-(1-((3-hydroxy-1-(2-((4-methyl-1-oxopentan-2-yl)carbamoyl)pyrrolidin-1-yl)-1-oxopropan-2-yl)amino)-3-methyl-1-oxopentan-2-yl)pentanediamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C36H56N8O10
+CH$EXACT_MASS: 760.41194
+CH$SMILES: O=C(NC(C(NC(C(NC(C(N1C(C(NC(CC(C)C)C([H])=O)=O)CCC1)=O)CO)=O)C(C)CC)=O)CCC(N)=O)CNC(C(CC2=CC=C(O)C=C2)N)=O
+CH$IUPAC: InChI=1S/C36H56N8O10/c1-5-21(4)31(35(53)42-27(19-46)36(54)44-14-6-7-28(44)34(52)40-23(18-45)15-20(2)3)43-33(51)26(12-13-29(38)48)41-30(49)17-39-32(50)25(37)16-22-8-10-24(47)11-9-22/h8-11,18,20-21,23,25-28,31,46-47H,5-7,12-17,19,37H2,1-4H3,(H2,38,48)(H,39,50)(H,40,52)(H,41,49)(H,42,53)(H,43,51)
+CH$LINK: PUBCHEM CID:155802014
+CH$LINK: INCHIKEY CLSDHBVHQKWEJR-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 79-796
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.973 min
+MS$FOCUSED_ION: BASE_PEAK 837.4369
+MS$FOCUSED_ION: PRECURSOR_M/Z 759.4047
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-02ti-0950000000-5b46640898e22075847c
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  82.0298 C4H4NO- 1 82.0298 -0.32
+  84.0091 C3H2NO2- 1 84.0091 -0.53
+  85.0406 C3H5N2O- 1 85.0407 -1.02
+  95.025 C4H3N2O- 1 95.0251 -1.01
+  97.0406 C4H5N2O- 1 97.0407 -1.06
+  99.0199 C3H3N2O2- 1 99.02 -0.56
+  100.0769 C5H10NO- 1 100.0768 0.94
+  106.0423 C7H6O- 1 106.0424 -1.4
+  107.0501 C7H7O- 1 107.0502 -1.74
+  109.0406 C5H5N2O- 1 109.0407 -1.08
+  110.0609 C6H8NO- 1 110.0611 -2.5
+  111.0199 C4H3N2O2- 1 111.02 -0.95
+  112.0514 C4H6N3O- 1 112.0516 -1.96
+  113.0356 C4H5N2O2- 1 113.0357 -0.63
+  113.0719 C5H9N2O- 1 113.072 -0.98
+  114.056 C5H8NO2- 1 114.0561 -0.48
+  114.0925 C6H12NO- 1 114.0924 0.52
+  119.05 C8H7O- 1 119.0502 -2.19
+  123.0563 C6H7N2O- 1 123.0564 -0.7
+  124.0403 C6H6NO2- 1 124.0404 -1.21
+  124.0768 C7H10NO- 1 124.0768 0.25
+  125.0352 C5H5N2O2- 1 125.0357 -3.52
+  126.0195 C5H4NO3- 1 126.0197 -1.22
+  126.067 C5H8N3O- 1 126.0673 -1.92
+  127.0512 C5H7N2O2- 1 127.0513 -1.09
+  128.0463 C4H6N3O2- 1 128.0466 -1.77
+  128.0714 C6H10NO2- 1 128.0717 -2.05
+  129.1031 C6H13N2O- 1 129.1033 -1.85
+  130.062 C4H8N3O2- 1 130.0622 -1.63
+  134.061 C8H8NO- 1 134.0611 -1.13
+  136.0764 C8H10NO- 1 136.0768 -3.13
+  139.0873 C7H11N2O- 1 139.0877 -2.5
+  140.0713 C7H10NO2- 1 140.0717 -3.06
+  143.119 C7H15N2O- 1 143.119 0.07
+  144.0775 C5H10N3O2- 1 144.0779 -2.66
+  148.0513 C7H6N3O- 1 148.0516 -2.42
+  149.0353 C7H5N2O2- 1 149.0357 -2.23
+  151.0871 C8H11N2O- 2 151.0877 -4.11
+  153.0665 C7H9N2O2- 1 153.067 -3.03
+  153.1017 C6H11N5- 1 153.102 -1.99
+  154.0743 C7H10N2O2- 1 154.0748 -3.37
+  155.0819 C7H11N2O2- 2 155.0826 -4.39
+  162.0556 C9H8NO2- 1 162.0561 -2.74
+  165.1026 C9H13N2O- 2 165.1033 -4.17
+  166.0616 C7H8N3O2- 2 166.0622 -3.66
+  167.0455 C5H5N5O2- 2 167.0449 3.74
+  169.0725 C6H9N4O2- 3 169.0731 -3.82
+  169.0976 C8H13N2O2- 2 169.0983 -4.12
+  171.1132 C6H13N5O- 2 171.1126 3.86
+  179.0818 C9H11N2O2- 2 179.0826 -4.36
+  181.1336 C8H15N5- 1 181.1333 1.45
+  183.1495 C10H19N2O- 2 183.1503 -4.3
+  184.0717 C5H8N6O2- 1 184.0714 1.52
+  186.1235 C6H14N6O- 1 186.1235 0.09
+  187.0829 C6H11N4O3- 3 187.0837 -3.87
+  187.1081 C6H13N5O2- 2 187.1075 3.44
+  191.0818 C8H9N5O- 2 191.0813 2.91
+  193.1335 C9H15N5- 1 193.1333 0.98
+  196.1448 C8H16N6- 2 196.1442 3.02
+  201.0982 C6H17O7- 2 201.098 1.35
+  202.0497 C9H6N4O2- 1 202.0496 0.4
+  209.1284 C9H15N5O- 1 209.1282 0.84
+  211.1443 C9H17N5O- 2 211.1439 1.9
+  219.0766 C11H11N2O3- 2 219.0775 -4.16
+  222.1237 C9H14N6O- 2 222.1235 1.22
+  223.1074 C9H13N5O2- 1 223.1075 -0.25
+  236.1032 C9H12N6O2- 2 236.1027 2.09
+  239.1503 C10H23O6- 3 239.15 1.36
+  240.1351 C11H18N3O3- 2 240.1354 -1.06
+  240.1711 C10H20N6O- 2 240.1704 2.78
+  250.1191 C12H16N3O3- 2 250.1197 -2.5
+  250.1551 C11H18N6O- 2 250.1548 1.55
+  266.1506 C11H18N6O2- 2 266.1497 3.66
+  268.1656 C13H22N3O3- 2 268.1667 -3.84
+  293.1251 C13H17N4O4- 3 293.1255 -1.57
+PK$NUM_PEAK: 75
+PK$PEAK: m/z int. rel.int.
+  82.0298 253152.1 42
+  84.0091 432206.2 72
+  85.0406 175938.6 29
+  95.025 381509.1 63
+  97.0406 95259.4 15
+  99.0199 140147.6 23
+  100.0769 110918.9 18
+  106.0423 134877.3 22
+  107.0501 378399 63
+  109.0406 146988.8 24
+  110.0609 163583.3 27
+  111.0199 530025.9 88
+  112.0514 233596.4 39
+  113.0356 572340.7 95
+  113.0719 558265.6 93
+  114.056 334771.2 55
+  114.0925 234722.1 39
+  119.05 251447.5 42
+  123.0563 514140.8 85
+  124.0403 139891.9 23
+  124.0768 152331.8 25
+  125.0352 124049.2 20
+  126.0195 558085.4 93
+  126.067 116315.1 19
+  127.0512 1343877.2 224
+  128.0463 483577.8 80
+  128.0714 130514.8 21
+  129.1031 478042.7 79
+  130.062 2118894 354
+  134.061 492360 82
+  136.0764 193400.2 32
+  139.0873 274251.4 45
+  140.0713 441168.6 73
+  143.119 93473.6 15
+  144.0775 776314.5 129
+  148.0513 116846.3 19
+  149.0353 139224.1 23
+  151.0871 230678.1 38
+  153.0665 1678625 280
+  153.1017 228096.7 38
+  154.0743 288214.9 48
+  155.0819 279301.3 46
+  162.0556 264242.2 44
+  165.1026 84577.5 14
+  166.0616 2955227.5 494
+  167.0455 208165.5 34
+  169.0725 283921.1 47
+  169.0976 1010111.2 168
+  171.1132 127412 21
+  179.0818 1638016.2 273
+  181.1336 63252.3 10
+  183.1495 88915.9 14
+  184.0717 216239 36
+  186.1235 266366.1 44
+  187.0829 384025.6 64
+  187.1081 97120.8 16
+  191.0818 180185.3 30
+  193.1335 220257.1 36
+  196.1448 209549.5 35
+  201.0982 218136.1 36
+  202.0497 88793.2 14
+  209.1284 137256 22
+  211.1443 5975842.5 999
+  219.0766 1251960.4 209
+  222.1237 564515.2 94
+  223.1074 137175.6 22
+  236.1032 3348186.5 559
+  239.1503 384467.6 64
+  240.1351 145277.6 24
+  240.1711 190624 31
+  250.1191 116493.8 19
+  250.1551 584028.6 97
+  266.1506 481927.1 80
+  268.1656 1027433.1 171
+  293.1251 425714.7 71
+//
diff --git a/Eawag/MSBNK-EAWAG-ED216557.txt b/Eawag/MSBNK-EAWAG-ED216557.txt
new file mode 100644
index 0000000000..c7b1d8a056
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED216557.txt
@@ -0,0 +1,210 @@
+ACCESSION: MSBNK-EAWAG-ED216557
+RECORD_TITLE: Nostocyclopeptide Ncp-E2-L; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md18090442
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2165
+CH$NAME: Nostocyclopeptide Ncp-E2-L
+CH$NAME: 2-(2-(2-amino-3-(4-hydroxyphenyl)propanamido)acetamido)-N1-(1-((3-hydroxy-1-(2-((4-methyl-1-oxopentan-2-yl)carbamoyl)pyrrolidin-1-yl)-1-oxopropan-2-yl)amino)-3-methyl-1-oxopentan-2-yl)pentanediamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C36H56N8O10
+CH$EXACT_MASS: 760.41194
+CH$SMILES: O=C(NC(C(NC(C(NC(C(N1C(C(NC(CC(C)C)C([H])=O)=O)CCC1)=O)CO)=O)C(C)CC)=O)CCC(N)=O)CNC(C(CC2=CC=C(O)C=C2)N)=O
+CH$IUPAC: InChI=1S/C36H56N8O10/c1-5-21(4)31(35(53)42-27(19-46)36(54)44-14-6-7-28(44)34(52)40-23(18-45)15-20(2)3)43-33(51)26(12-13-29(38)48)41-30(49)17-39-32(50)25(37)16-22-8-10-24(47)11-9-22/h8-11,18,20-21,23,25-28,31,46-47H,5-7,12-17,19,37H2,1-4H3,(H2,38,48)(H,39,50)(H,40,52)(H,41,49)(H,42,53)(H,43,51)
+CH$LINK: PUBCHEM CID:155802014
+CH$LINK: INCHIKEY CLSDHBVHQKWEJR-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 79-796
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.973 min
+MS$FOCUSED_ION: BASE_PEAK 837.4369
+MS$FOCUSED_ION: PRECURSOR_M/Z 759.4047
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0ik9-0920000000-12ac15b3d570162c087b
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  82.0298 C4H4NO- 1 82.0298 -0.41
+  83.0249 C3H3N2O- 1 83.0251 -2
+  84.009 C3H2NO2- 1 84.0091 -0.98
+  85.0408 C3H5N2O- 1 85.0407 0.33
+  87.0563 C3H7N2O- 1 87.0564 -1.13
+  95.025 C4H3N2O- 1 95.0251 -1.01
+  96.0456 C5H6NO- 1 96.0455 1.16
+  97.0405 C4H5N2O- 1 97.0407 -2.32
+  98.0612 C5H8NO- 1 98.0611 0.87
+  99.0198 C3H3N2O2- 1 99.02 -2.18
+  99.0564 C4H7N2O- 1 99.0564 0.04
+  99.0816 C6H11O- 1 99.0815 0.45
+  100.0767 C5H10NO- 1 100.0768 -1.35
+  106.0425 C7H6O- 1 106.0424 0.47
+  107.0502 C7H7O- 1 107.0502 -0.53
+  109.0405 C5H5N2O- 1 109.0407 -1.99
+  110.0611 C6H8NO- 1 110.0611 -0.56
+  111.0198 C4H3N2O2- 1 111.02 -1.43
+  111.0565 C5H7N2O- 1 111.0564 0.76
+  112.0515 C4H6N3O- 1 112.0516 -1.15
+  112.0769 C6H10NO- 1 112.0768 0.78
+  113.0356 C4H5N2O2- 1 113.0357 -0.43
+  113.0719 C5H9N2O- 1 113.072 -0.78
+  114.056 C5H8NO2- 1 114.0561 -0.48
+  114.0924 C6H12NO- 1 114.0924 -0.75
+  119.0501 C8H7O- 1 119.0502 -0.84
+  123.0563 C6H7N2O- 1 123.0564 -0.76
+  124.0403 C6H6NO2- 1 124.0404 -1.15
+  124.0768 C7H10NO- 1 124.0768 0.07
+  125.0352 C5H5N2O2- 1 125.0357 -3.28
+  126.0196 C5H4NO3- 1 126.0197 -0.92
+  127.0512 C5H7N2O2- 1 127.0513 -1.03
+  128.0461 C4H6N3O2- 1 128.0466 -3.2
+  128.0715 C6H10NO2- 1 128.0717 -1.93
+  129.1031 C6H13N2O- 1 129.1033 -1.49
+  130.062 C4H8N3O2- 1 130.0622 -1.4
+  134.061 C8H8NO- 1 134.0611 -1.36
+  136.0763 C8H10NO- 1 136.0768 -3.24
+  139.0511 C6H7N2O2- 1 139.0513 -1.67
+  139.0875 C7H11N2O- 1 139.0877 -1.63
+  140.0713 C7H10NO2- 1 140.0717 -2.74
+  141.1032 C7H13N2O- 1 141.1033 -0.77
+  143.1188 C7H15N2O- 1 143.119 -1.53
+  144.0774 C5H10N3O2- 1 144.0779 -3.19
+  148.0511 C7H6N3O- 1 148.0516 -3.35
+  149.0352 C7H5N2O2- 1 149.0357 -3.26
+  151.0872 C8H11N2O- 1 151.0877 -3.51
+  152.0714 C8H10NO2- 1 152.0717 -2.1
+  153.0665 C7H9N2O2- 1 153.067 -2.73
+  153.1018 C6H11N5- 1 153.102 -0.99
+  154.0744 C7H10N2O2- 1 154.0748 -2.58
+  155.0821 C7H11N2O2- 1 155.0826 -3.51
+  162.0555 C9H8NO2- 2 162.0561 -3.49
+  163.0512 C8H7N2O2- 1 163.0513 -0.7
+  165.1025 C9H13N2O- 2 165.1033 -4.91
+  166.0616 C7H8N3O2- 2 166.0622 -3.57
+  167.0452 C5H5N5O2- 1 167.0449 2.01
+  168.114 C8H14N3O- 1 168.1142 -1.68
+  169.0724 C6H9N4O2- 3 169.0731 -4.09
+  169.0976 C8H13N2O2- 2 169.0983 -3.67
+  171.1127 C6H13N5O- 1 171.1126 0.74
+  179.082 C9H11N2O2- 2 179.0826 -3.51
+  181.0977 C9H13N2O2- 2 181.0983 -3.3
+  183.1498 C10H19N2O- 2 183.1503 -2.72
+  184.0724 C7H10N3O3- 1 184.0728 -2.04
+  186.124 C6H14N6O- 2 186.1235 2.87
+  187.083 C6H11N4O3- 3 187.0837 -3.71
+  191.0816 C8H9N5O- 1 191.0813 1.71
+  193.1337 C9H15N5- 2 193.1333 2.08
+  196.1441 C8H16N6- 1 196.1442 -0.24
+  198.124 C7H14N6O- 2 198.1235 2.7
+  200.1393 C7H16N6O- 1 200.1391 1.03
+  201.0981 C6H17O7- 2 201.098 0.51
+  209.1285 C9H15N5O- 2 209.1282 1.43
+  211.1443 C9H17N5O- 2 211.1439 1.9
+  219.0768 C11H11N2O3- 2 219.0775 -3.25
+  222.124 C9H14N6O- 2 222.1235 2.25
+  223.1083 C9H13N5O2- 2 223.1075 3.58
+  227.1757 C10H21N5O- 2 227.1752 2.36
+  236.1032 C9H12N6O2- 2 236.1027 1.96
+  239.1501 C10H23O6- 2 239.15 0.21
+  250.1549 C11H18N6O- 2 250.1548 0.51
+  266.1506 C11H18N6O2- 2 266.1497 3.66
+  268.1653 C13H22N3O3- 2 268.1667 -4.98
+PK$NUM_PEAK: 84
+PK$PEAK: m/z int. rel.int.
+  82.0298 388129 97
+  83.0249 99747.7 25
+  84.009 497897.6 125
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+  95.025 441358.7 111
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+  98.0612 70488.4 17
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+  99.0564 47764.1 12
+  99.0816 65763.2 16
+  100.0767 261651.5 65
+  106.0425 195266 49
+  107.0502 514420.4 129
+  109.0405 238704.3 60
+  110.0611 242377.8 61
+  111.0198 650551.2 163
+  111.0565 56917.7 14
+  112.0515 509428.4 128
+  112.0769 119998.8 30
+  113.0356 634682.9 159
+  113.0719 671115.6 169
+  114.056 594816.2 149
+  114.0924 483733.2 121
+  119.0501 439445.9 110
+  123.0563 670108.6 168
+  124.0403 160150.1 40
+  124.0768 279839.8 70
+  125.0352 199699.5 50
+  126.0196 307823.4 77
+  127.0512 964276.1 242
+  128.0461 361536.5 91
+  128.0715 210195.9 52
+  129.1031 633686.3 159
+  130.062 2268586.5 571
+  134.061 580832.7 146
+  136.0763 166771.3 42
+  139.0511 66409.1 16
+  139.0875 432189 108
+  140.0713 370342 93
+  141.1032 154922.4 39
+  143.1188 239598.1 60
+  144.0774 359550 90
+  148.0511 113366.9 28
+  149.0352 177357.3 44
+  151.0872 303376.2 76
+  152.0714 55512.5 13
+  153.0665 1717189.8 432
+  153.1018 202995.1 51
+  154.0744 681639.6 171
+  155.0821 212576.6 53
+  162.0555 276414.2 69
+  163.0512 74203.2 18
+  165.1025 89806.4 22
+  166.0616 1541667.1 388
+  167.0452 81982.7 20
+  168.114 163183.3 41
+  169.0724 505616.4 127
+  169.0976 697468.5 175
+  171.1127 186781.4 47
+  179.082 777067.8 195
+  181.0977 162784.5 41
+  183.1498 109748 27
+  184.0724 102229.4 25
+  186.124 324939.4 81
+  187.083 209067.1 52
+  191.0816 128522.5 32
+  193.1337 263220.1 66
+  196.1441 147182.6 37
+  198.124 105565.8 26
+  200.1393 92546 23
+  201.0981 70913.3 17
+  209.1285 147821 37
+  211.1443 3964901.5 999
+  219.0768 326769.6 82
+  222.124 293269.4 73
+  223.1083 52316.7 13
+  227.1757 71414.6 17
+  236.1032 889508.2 224
+  239.1501 231519.2 58
+  250.1549 253304.8 63
+  266.1506 308743.4 77
+  268.1653 217145.8 54
+//
diff --git a/Eawag/MSBNK-EAWAG-ED216558.txt b/Eawag/MSBNK-EAWAG-ED216558.txt
new file mode 100644
index 0000000000..1a98f7df43
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED216558.txt
@@ -0,0 +1,196 @@
+ACCESSION: MSBNK-EAWAG-ED216558
+RECORD_TITLE: Nostocyclopeptide Ncp-E2-L; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md18090442
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2165
+CH$NAME: Nostocyclopeptide Ncp-E2-L
+CH$NAME: 2-(2-(2-amino-3-(4-hydroxyphenyl)propanamido)acetamido)-N1-(1-((3-hydroxy-1-(2-((4-methyl-1-oxopentan-2-yl)carbamoyl)pyrrolidin-1-yl)-1-oxopropan-2-yl)amino)-3-methyl-1-oxopentan-2-yl)pentanediamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C36H56N8O10
+CH$EXACT_MASS: 760.41194
+CH$SMILES: O=C(NC(C(NC(C(NC(C(N1C(C(NC(CC(C)C)C([H])=O)=O)CCC1)=O)CO)=O)C(C)CC)=O)CCC(N)=O)CNC(C(CC2=CC=C(O)C=C2)N)=O
+CH$IUPAC: InChI=1S/C36H56N8O10/c1-5-21(4)31(35(53)42-27(19-46)36(54)44-14-6-7-28(44)34(52)40-23(18-45)15-20(2)3)43-33(51)26(12-13-29(38)48)41-30(49)17-39-32(50)25(37)16-22-8-10-24(47)11-9-22/h8-11,18,20-21,23,25-28,31,46-47H,5-7,12-17,19,37H2,1-4H3,(H2,38,48)(H,39,50)(H,40,52)(H,41,49)(H,42,53)(H,43,51)
+CH$LINK: PUBCHEM CID:155802014
+CH$LINK: INCHIKEY CLSDHBVHQKWEJR-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 79-796
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.973 min
+MS$FOCUSED_ION: BASE_PEAK 837.4369
+MS$FOCUSED_ION: PRECURSOR_M/Z 759.4047
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0il0-1910000000-ac1f01a5a3cbc1c5ba2b
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  80.0507 C5H6N- 1 80.0506 1.91
+  82.0298 C4H4NO- 1 82.0298 -0.97
+  82.0661 C5H8N- 1 82.0662 -1.91
+  83.0251 C3H3N2O- 1 83.0251 -0.35
+  84.009 C3H2NO2- 1 84.0091 -0.71
+  85.0406 C3H5N2O- 1 85.0407 -2.01
+  87.0566 C3H7N2O- 1 87.0564 2.12
+  95.025 C4H3N2O- 1 95.0251 -0.85
+  97.0406 C4H5N2O- 1 97.0407 -1.69
+  98.0609 C5H8NO- 1 98.0611 -1.94
+  99.0199 C3H3N2O2- 1 99.02 -0.87
+  99.0565 C4H7N2O- 1 99.0564 1.04
+  100.0767 C5H10NO- 1 100.0768 -0.74
+  106.0422 C7H6O- 1 106.0424 -2.12
+  107.0501 C7H7O- 1 107.0502 -1.39
+  108.082 C7H10N- 1 108.0819 1.49
+  109.0405 C5H5N2O- 1 109.0407 -1.92
+  110.061 C6H8NO- 1 110.0611 -0.98
+  111.0199 C4H3N2O2- 1 111.02 -1.09
+  111.0567 C5H7N2O- 1 111.0564 3.16
+  112.0279 C4H4N2O2- 1 112.0278 0.67
+  112.0515 C4H6N3O- 1 112.0516 -0.81
+  112.0766 C6H10NO- 1 112.0768 -1.67
+  113.0355 C4H5N2O2- 1 113.0357 -1.04
+  113.072 C5H9N2O- 1 113.072 -0.57
+  114.056 C5H8NO2- 1 114.0561 -0.81
+  114.0923 C6H12NO- 1 114.0924 -1.29
+  119.0501 C8H7O- 1 119.0502 -0.97
+  123.0562 C6H7N2O- 1 123.0564 -1.26
+  124.0404 C6H6NO2- 1 124.0404 0.14
+  124.0766 C7H10NO- 1 124.0768 -1.34
+  125.0352 C5H5N2O2- 1 125.0357 -3.52
+  125.072 C6H9N2O- 1 125.072 -0.05
+  126.0194 C5H4NO3- 1 126.0197 -1.89
+  126.0677 C5H8N3O- 1 126.0673 3.16
+  127.0511 C5H7N2O2- 1 127.0513 -1.51
+  128.0464 C4H6N3O2- 1 128.0466 -0.94
+  128.0715 C6H10NO2- 1 128.0717 -1.69
+  129.1032 C6H13N2O- 1 129.1033 -1.14
+  130.062 C4H8N3O2- 1 130.0622 -1.51
+  134.061 C8H8NO- 1 134.0611 -1.13
+  136.0767 C8H10NO- 1 136.0768 -0.78
+  139.0874 C7H11N2O- 1 139.0877 -2.06
+  140.0713 C7H10NO2- 1 140.0717 -2.84
+  140.0833 C6H10N3O- 1 140.0829 2.8
+  141.103 C7H13N2O- 1 141.1033 -2.5
+  143.1188 C7H15N2O- 1 143.119 -0.99
+  144.0776 C5H10N3O2- 1 144.0779 -2.03
+  149.0353 C7H5N2O2- 1 149.0357 -2.03
+  151.0872 C8H11N2O- 1 151.0877 -3.1
+  153.0665 C7H9N2O2- 1 153.067 -2.73
+  153.1013 C6H11N5- 2 153.102 -4.38
+  154.0744 C7H10N2O2- 1 154.0748 -2.68
+  155.0819 C7H11N2O2- 2 155.0826 -4.3
+  155.1186 C8H15N2O- 1 155.119 -2.78
+  162.0553 C9H8NO2- 2 162.0561 -4.91
+  163.0519 C8H7N2O2- 1 163.0513 3.61
+  164.1084 C10H14NO- 1 164.1081 2.16
+  166.0615 C7H8N3O2- 2 166.0622 -4.03
+  168.1137 C8H14N3O- 2 168.1142 -3.13
+  169.073 C6H9N4O2- 1 169.0731 -0.66
+  169.0981 C8H13N2O2- 1 169.0983 -0.96
+  171.113 C6H13N5O- 1 171.1126 2.61
+  174.0555 C10H8NO2- 2 174.0561 -3.21
+  175.088 C10H11N2O- 1 175.0877 1.78
+  179.0819 C9H11N2O2- 2 179.0826 -3.68
+  179.1177 C8H13N5- 1 179.1176 0.45
+  181.0977 C9H13N2O2- 2 181.0983 -2.96
+  181.1341 C10H17N2O- 2 181.1346 -2.84
+  183.1138 C9H15N2O2- 1 183.1139 -0.42
+  186.1242 C6H14N6O- 2 186.1235 4.19
+  196.145 C8H16N6- 2 196.1442 4.11
+  198.1239 C7H14N6O- 2 198.1235 2.46
+  200.1397 C7H16N6O- 2 200.1391 3.02
+  209.1287 C9H15N5O- 2 209.1282 2.52
+  211.1442 C9H17N5O- 2 211.1439 1.61
+  236.1034 C9H12N6O2- 2 236.1027 2.8
+PK$NUM_PEAK: 77
+PK$PEAK: m/z int. rel.int.
+  80.0507 57104.7 32
+  82.0298 408125.1 235
+  82.0661 176150.4 101
+  83.0251 176907.8 102
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+  98.0609 93116.5 53
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+  112.0279 91673.7 52
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+  113.0355 427604.3 246
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+  114.0923 405991.8 234
+  119.0501 425938.1 245
+  123.0562 699158.6 403
+  124.0404 116122.3 67
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+  125.0352 206403.4 119
+  125.072 103608.1 59
+  126.0194 168233.5 97
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+  140.0833 60184.3 34
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+  143.1188 185361.6 106
+  144.0776 119785 69
+  149.0353 109583.5 63
+  151.0872 221102.7 127
+  153.0665 1254258.5 724
+  153.1013 101022.4 58
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+  171.113 100173.4 57
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+  175.088 27903.7 16
+  179.0819 226391.6 130
+  179.1177 109539.2 63
+  181.0977 80943.3 46
+  181.1341 75395.6 43
+  183.1138 55015 31
+  186.1242 180888.8 104
+  196.145 63392.7 36
+  198.1239 59047.5 34
+  200.1397 45313.9 26
+  209.1287 105751.1 61
+  211.1442 1730652.6 999
+  236.1034 133381.5 76
+//
diff --git a/Eawag/MSBNK-EAWAG-ED216559.txt b/Eawag/MSBNK-EAWAG-ED216559.txt
new file mode 100644
index 0000000000..78c3713e21
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED216559.txt
@@ -0,0 +1,150 @@
+ACCESSION: MSBNK-EAWAG-ED216559
+RECORD_TITLE: Nostocyclopeptide Ncp-E2-L; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M-H]-; First mass: auto
+DATE: 2025.01.31
+AUTHORS: E. Janssen [dtc], H. Mazur-Marzec [dtc], R. Konkel [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: https://doi.org/10.3390/md18090442
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2165
+CH$NAME: Nostocyclopeptide Ncp-E2-L
+CH$NAME: 2-(2-(2-amino-3-(4-hydroxyphenyl)propanamido)acetamido)-N1-(1-((3-hydroxy-1-(2-((4-methyl-1-oxopentan-2-yl)carbamoyl)pyrrolidin-1-yl)-1-oxopropan-2-yl)amino)-3-methyl-1-oxopentan-2-yl)pentanediamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C36H56N8O10
+CH$EXACT_MASS: 760.41194
+CH$SMILES: O=C(NC(C(NC(C(NC(C(N1C(C(NC(CC(C)C)C([H])=O)=O)CCC1)=O)CO)=O)C(C)CC)=O)CCC(N)=O)CNC(C(CC2=CC=C(O)C=C2)N)=O
+CH$IUPAC: InChI=1S/C36H56N8O10/c1-5-21(4)31(35(53)42-27(19-46)36(54)44-14-6-7-28(44)34(52)40-23(18-45)15-20(2)3)43-33(51)26(12-13-29(38)48)41-30(49)17-39-32(50)25(37)16-22-8-10-24(47)11-9-22/h8-11,18,20-21,23,25-28,31,46-47H,5-7,12-17,19,37H2,1-4H3,(H2,38,48)(H,39,50)(H,40,52)(H,41,49)(H,42,53)(H,43,51)
+CH$LINK: PUBCHEM CID:155802014
+CH$LINK: INCHIKEY CLSDHBVHQKWEJR-UHFFFAOYSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 79-796
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.973 min
+MS$FOCUSED_ION: BASE_PEAK 837.4369
+MS$FOCUSED_ION: PRECURSOR_M/Z 759.4047
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.15.3
+PK$SPLASH: splash10-0gx0-2900000000-ac30718d79ad08f66f59
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  80.0506 C5H6N- 1 80.0506 0.01
+  82.0298 C4H4NO- 1 82.0298 -0.69
+  82.0661 C5H8N- 1 82.0662 -1.81
+  83.025 C3H3N2O- 1 83.0251 -1.09
+  84.009 C3H2NO2- 1 84.0091 -1.07
+  85.0406 C3H5N2O- 1 85.0407 -2.1
+  87.0565 C3H7N2O- 1 87.0564 1.68
+  95.0249 C4H3N2O- 1 95.0251 -2.29
+  96.0459 C5H6NO- 1 96.0455 3.78
+  97.0407 C4H5N2O- 1 97.0407 -0.43
+  98.061 C5H8NO- 1 98.0611 -1.08
+  99.02 C3H3N2O2- 1 99.02 0.13
+  100.0768 C5H10NO- 1 100.0768 -0.28
+  106.0423 C7H6O- 1 106.0424 -1.18
+  107.0502 C7H7O- 1 107.0502 -0.81
+  109.0406 C5H5N2O- 1 109.0407 -0.8
+  110.0612 C6H8NO- 1 110.0611 0.13
+  111.0199 C4H3N2O2- 1 111.02 -1.02
+  112.0516 C4H6N3O- 1 112.0516 -0.53
+  112.0767 C6H10NO- 1 112.0768 -1.06
+  113.0356 C4H5N2O2- 1 113.0357 -0.23
+  113.0719 C5H9N2O- 1 113.072 -1.38
+  114.056 C5H8NO2- 1 114.0561 -0.41
+  114.0924 C6H12NO- 1 114.0924 -0.69
+  119.0501 C8H7O- 1 119.0502 -1.35
+  121.041 C6H5N2O- 1 121.0407 1.87
+  123.0562 C6H7N2O- 1 123.0564 -1.19
+  124.0406 C6H6NO2- 1 124.0404 1.25
+  124.0768 C7H10NO- 1 124.0768 0.19
+  125.0356 C5H5N2O2- 1 125.0357 -0.41
+  125.0719 C6H9N2O- 1 125.072 -1.33
+  126.0196 C5H4NO3- 1 126.0197 -0.19
+  126.0671 C5H8N3O- 1 126.0673 -1.13
+  127.0512 C5H7N2O2- 1 127.0513 -0.91
+  128.0463 C4H6N3O2- 1 128.0466 -1.65
+  129.1032 C6H13N2O- 1 129.1033 -0.9
+  130.062 C4H8N3O2- 1 130.0622 -1.4
+  134.0609 C8H8NO- 1 134.0611 -1.81
+  139.0515 C6H7N2O2- 1 139.0513 1.73
+  139.0875 C7H11N2O- 1 139.0877 -1.41
+  140.0715 C7H10NO2- 1 140.0717 -1.1
+  140.0834 C6H10N3O- 1 140.0829 3.23
+  141.1031 C7H13N2O- 1 141.1033 -1.86
+  143.1186 C7H15N2O- 1 143.119 -3.02
+  148.0516 C7H6N3O- 1 148.0516 0.05
+  151.0873 C8H11N2O- 1 151.0877 -2.7
+  152.0588 C7H8N2O2- 1 152.0591 -1.98
+  153.0665 C7H9N2O2- 1 153.067 -2.83
+  154.0743 C7H10N2O2- 1 154.0748 -2.77
+  168.114 C8H14N3O- 1 168.1142 -1.41
+  169.0723 C6H9N4O2- 3 169.0731 -4.81
+  169.0975 C8H13N2O2- 2 169.0983 -4.39
+  181.1346 C10H17N2O- 1 181.1346 -0.23
+  211.1443 C9H17N5O- 2 211.1439 1.97
+PK$NUM_PEAK: 54
+PK$PEAK: m/z int. rel.int.
+  80.0506 43507.1 51
+  82.0298 406625.3 478
+  82.0661 150154.3 176
+  83.025 179227.2 210
+  84.009 849392.1 999
+  85.0406 183884.5 216
+  87.0565 62613.5 73
+  95.0249 276702.9 325
+  96.0459 51584.1 60
+  97.0407 169601.5 199
+  98.061 80115.8 94
+  99.02 129584.2 152
+  100.0768 158703.5 186
+  106.0423 114938.9 135
+  107.0502 403954.9 475
+  109.0406 175463.7 206
+  110.0612 150466.3 176
+  111.0199 349876.4 411
+  112.0516 533548.6 627
+  112.0767 84873.5 99
+  113.0356 310855 365
+  113.0719 345224.3 406
+  114.056 624152.8 734
+  114.0924 299314.6 352
+  119.0501 440119.7 517
+  121.041 49824.7 58
+  123.0562 417243.7 490
+  124.0406 70391.2 82
+  124.0768 145523.6 171
+  125.0356 150082.8 176
+  125.0719 105582.6 124
+  126.0196 50618.9 59
+  126.0671 41897.9 49
+  127.0512 298751 351
+  128.0463 44839.9 52
+  129.1032 371571.4 437
+  130.062 629868.8 740
+  134.0609 326104 383
+  139.0515 49134.8 57
+  139.0875 317699.2 373
+  140.0715 136338 160
+  140.0834 64005.6 75
+  141.1031 127900.5 150
+  143.1186 187377 220
+  148.0516 46213.5 54
+  151.0873 155076.8 182
+  152.0588 50775.1 59
+  153.0665 839947.8 987
+  154.0743 681488.8 801
+  168.114 151104.7 177
+  169.0723 154479.5 181
+  169.0975 124454.1 146
+  181.1346 50936.3 59
+  211.1443 525878.3 618
+//
diff --git a/Eawag/MSBNK-EAWAG-ED224001.txt b/Eawag/MSBNK-EAWAG-ED224001.txt
new file mode 100644
index 0000000000..2b2c135d6e
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED224001.txt
@@ -0,0 +1,47 @@
+ACCESSION: MSBNK-EAWAG-ED224001
+RECORD_TITLE: Microginin 299A; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.21577/0100-4042.20170640
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2240
+CH$NAME: Microginin 299A
+CH$NAME: (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-3-amino-10-chloro-2-hydroxydecanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C45H67ClN6O10
+CH$EXACT_MASS: 886.46072
+CH$SMILES: CC(C)[C@@H](C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)[C@@H](CC1=CC=C(C=C1)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)O)NC(=O)[C@H]([C@H](CCCCCCCCl)N)O
+CH$IUPAC: InChI=1S/C45H67ClN6O10/c1-27(2)37(49-41(57)39(55)33(47)13-10-8-7-9-11-23-46)43(59)51(6)38(28(3)4)44(60)50(5)36(26-30-17-21-32(54)22-18-30)42(58)52-24-12-14-35(52)40(56)48-34(45(61)62)25-29-15-19-31(53)20-16-29/h15-22,27-28,33-39,53-55H,7-14,23-26,47H2,1-6H3,(H,48,56)(H,49,57)(H,61,62)/t33-,34-,35-,36-,37-,38-,39-/m0/s1
+CH$LINK: PUBCHEM CID:10056525
+CH$LINK: INCHIKEY GTUNZCVHPMEXMH-ZTYVOHGWSA-N
+CH$LINK: CHEMSPIDER 8232083
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 92-926
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.735 min
+MS$FOCUSED_ION: BASE_PEAK 132.9582
+MS$FOCUSED_ION: PRECURSOR_M/Z 887.468
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-001i-0000900000-6cdb37ac554623637460
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  432.2621 C25H32N6O+ 6 432.2632 -2.5
+  456.2129 C24H30N3O6+ 7 456.2129 -0.08
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  432.2621 7409152 999
+  456.2129 931436.9 125
+//
diff --git a/Eawag/MSBNK-EAWAG-ED224002.txt b/Eawag/MSBNK-EAWAG-ED224002.txt
new file mode 100644
index 0000000000..b905121854
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED224002.txt
@@ -0,0 +1,63 @@
+ACCESSION: MSBNK-EAWAG-ED224002
+RECORD_TITLE: Microginin 299A; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.21577/0100-4042.20170640
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2240
+CH$NAME: Microginin 299A
+CH$NAME: (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-3-amino-10-chloro-2-hydroxydecanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C45H67ClN6O10
+CH$EXACT_MASS: 886.46072
+CH$SMILES: CC(C)[C@@H](C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)[C@@H](CC1=CC=C(C=C1)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)O)NC(=O)[C@H]([C@H](CCCCCCCCl)N)O
+CH$IUPAC: InChI=1S/C45H67ClN6O10/c1-27(2)37(49-41(57)39(55)33(47)13-10-8-7-9-11-23-46)43(59)51(6)38(28(3)4)44(60)50(5)36(26-30-17-21-32(54)22-18-30)42(58)52-24-12-14-35(52)40(56)48-34(45(61)62)25-29-15-19-31(53)20-16-29/h15-22,27-28,33-39,53-55H,7-14,23-26,47H2,1-6H3,(H,48,56)(H,49,57)(H,61,62)/t33-,34-,35-,36-,37-,38-,39-/m0/s1
+CH$LINK: PUBCHEM CID:10056525
+CH$LINK: INCHIKEY GTUNZCVHPMEXMH-ZTYVOHGWSA-N
+CH$LINK: CHEMSPIDER 8232083
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 92-926
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.735 min
+MS$FOCUSED_ION: BASE_PEAK 132.9582
+MS$FOCUSED_ION: PRECURSOR_M/Z 887.468
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-053r-0100906000-c2e47d30a3d0864ae7c9
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  132.1019 C6H14NO2+ 2 132.1019 0.11
+  150.0914 C9H12NO+ 2 150.0913 0.17
+  206.081 C11H12NO3+ 3 206.0812 -0.9
+  301.1673 C18H23NO3+ 5 301.1672 0.16
+  319.1783 C4H27N6O10+ 5 319.1783 0
+  369.1941 C8H29N6O10+ 6 369.194 0.31
+  432.2623 C25H32N6O+ 6 432.2632 -2.01
+  456.2133 C21H33ClN4O5+ 6 456.2134 -0.21
+  460.258 C26H32N6O2+ 7 460.2581 -0.35
+  609.342 C36H49O8+ 9 609.3422 -0.36
+PK$NUM_PEAK: 10
+PK$PEAK: m/z int. rel.int.
+  132.1019 542524.6 76
+  150.0914 1057583.6 148
+  206.081 169544.9 23
+  301.1673 285247.8 40
+  319.1783 95735.4 13
+  369.1941 143411.8 20
+  432.2623 7109015.5 999
+  456.2133 780937.9 109
+  460.258 127560 17
+  609.342 6126218.5 860
+//
diff --git a/Eawag/MSBNK-EAWAG-ED224003.txt b/Eawag/MSBNK-EAWAG-ED224003.txt
new file mode 100644
index 0000000000..f68628df7b
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED224003.txt
@@ -0,0 +1,83 @@
+ACCESSION: MSBNK-EAWAG-ED224003
+RECORD_TITLE: Microginin 299A; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.21577/0100-4042.20170640
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2240
+CH$NAME: Microginin 299A
+CH$NAME: (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-3-amino-10-chloro-2-hydroxydecanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C45H67ClN6O10
+CH$EXACT_MASS: 886.46072
+CH$SMILES: CC(C)[C@@H](C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)[C@@H](CC1=CC=C(C=C1)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)O)NC(=O)[C@H]([C@H](CCCCCCCCl)N)O
+CH$IUPAC: InChI=1S/C45H67ClN6O10/c1-27(2)37(49-41(57)39(55)33(47)13-10-8-7-9-11-23-46)43(59)51(6)38(28(3)4)44(60)50(5)36(26-30-17-21-32(54)22-18-30)42(58)52-24-12-14-35(52)40(56)48-34(45(61)62)25-29-15-19-31(53)20-16-29/h15-22,27-28,33-39,53-55H,7-14,23-26,47H2,1-6H3,(H,48,56)(H,49,57)(H,61,62)/t33-,34-,35-,36-,37-,38-,39-/m0/s1
+CH$LINK: PUBCHEM CID:10056525
+CH$LINK: INCHIKEY GTUNZCVHPMEXMH-ZTYVOHGWSA-N
+CH$LINK: CHEMSPIDER 8232083
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 92-926
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.735 min
+MS$FOCUSED_ION: BASE_PEAK 132.9582
+MS$FOCUSED_ION: PRECURSOR_M/Z 887.468
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0f89-0701902000-646ad4677d4282bf0a0a
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  131.1184 C6H15N2O+ 2 131.1179 3.9
+  132.1019 C6H14NO2+ 2 132.1019 0.23
+  150.0914 C9H12NO+ 2 150.0913 0.27
+  162.1046 C8H17ClN+ 2 162.1044 0.99
+  178.0861 C10H12NO2+ 3 178.0863 -0.65
+  192.1152 C9H19ClNO+ 2 192.115 1.23
+  195.1128 C10H15N2O2+ 3 195.1128 -0.24
+  196.1332 C11H18NO2+ 3 196.1332 -0.04
+  206.0808 C11H12NO3+ 4 206.0812 -1.86
+  231.1699 C11H23N2O3+ 4 231.1703 -1.76
+  271.1649 C13H23N2O4+ 4 271.1652 -1.29
+  301.1674 C18H23NO3+ 4 301.1672 0.56
+  369.194 C8H29N6O10+ 6 369.194 0.06
+  432.2625 C25H32N6O+ 7 432.2632 -1.65
+  456.2134 C21H33ClN4O5+ 7 456.2134 -0.08
+  460.2578 C26H32N6O2+ 7 460.2581 -0.81
+  468.2622 C24H39ClN3O4+ 7 468.2624 -0.25
+  478.2471 C25H37ClN3O4+ 8 478.2467 0.85
+  496.2581 C29H32N6O2+ 7 496.2581 -0.01
+  609.3422 C36H49O8+ 9 609.3422 -0.06
+PK$NUM_PEAK: 20
+PK$PEAK: m/z int. rel.int.
+  131.1184 76380.5 19
+  132.1019 1236035.6 311
+  150.0914 2511382 633
+  162.1046 421966.9 106
+  178.0861 104719.9 26
+  192.1152 45155.8 11
+  195.1128 159154.4 40
+  196.1332 52191.5 13
+  206.0808 363984.9 91
+  231.1699 94660.1 23
+  271.1649 168026.7 42
+  301.1674 702227.4 177
+  369.194 419722.5 105
+  432.2625 3963129.5 999
+  456.2134 473433.3 119
+  460.2578 171226 43
+  468.2622 133249.9 33
+  478.2471 103430.3 26
+  496.2581 1026883.1 258
+  609.3422 1917226.2 483
+//
diff --git a/Eawag/MSBNK-EAWAG-ED224004.txt b/Eawag/MSBNK-EAWAG-ED224004.txt
new file mode 100644
index 0000000000..710247c9cf
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED224004.txt
@@ -0,0 +1,81 @@
+ACCESSION: MSBNK-EAWAG-ED224004
+RECORD_TITLE: Microginin 299A; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.21577/0100-4042.20170640
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2240
+CH$NAME: Microginin 299A
+CH$NAME: (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-3-amino-10-chloro-2-hydroxydecanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C45H67ClN6O10
+CH$EXACT_MASS: 886.46072
+CH$SMILES: CC(C)[C@@H](C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)[C@@H](CC1=CC=C(C=C1)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)O)NC(=O)[C@H]([C@H](CCCCCCCCl)N)O
+CH$IUPAC: InChI=1S/C45H67ClN6O10/c1-27(2)37(49-41(57)39(55)33(47)13-10-8-7-9-11-23-46)43(59)51(6)38(28(3)4)44(60)50(5)36(26-30-17-21-32(54)22-18-30)42(58)52-24-12-14-35(52)40(56)48-34(45(61)62)25-29-15-19-31(53)20-16-29/h15-22,27-28,33-39,53-55H,7-14,23-26,47H2,1-6H3,(H,48,56)(H,49,57)(H,61,62)/t33-,34-,35-,36-,37-,38-,39-/m0/s1
+CH$LINK: PUBCHEM CID:10056525
+CH$LINK: INCHIKEY GTUNZCVHPMEXMH-ZTYVOHGWSA-N
+CH$LINK: CHEMSPIDER 8232083
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 92-926
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.735 min
+MS$FOCUSED_ION: BASE_PEAK 132.9582
+MS$FOCUSED_ION: PRECURSOR_M/Z 887.468
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0ue9-0912400000-a6b7804954f777810096
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  131.1177 C6H15N2O+ 1 131.1179 -1.33
+  132.102 C6H14NO2+ 2 132.1019 0.34
+  150.0914 C9H12NO+ 2 150.0913 0.27
+  162.1045 C8H17ClN+ 2 162.1044 0.33
+  174.104 C9H17ClN+ 2 174.1044 -2.23
+  178.0861 C10H12NO2+ 3 178.0863 -1
+  195.1127 C10H15N2O2+ 3 195.1128 -0.4
+  206.0808 C11H12NO3+ 4 206.0812 -1.79
+  231.17 C11H23N2O3+ 4 231.1703 -1.17
+  260.1276 C10H19ClN5O+ 5 260.1273 1.47
+  271.165 C13H23N2O4+ 4 271.1652 -0.73
+  301.1674 C18H23NO3+ 5 301.1672 0.46
+  319.1785 C4H27N6O10+ 5 319.1783 0.48
+  369.194 C8H29N6O10+ 6 369.194 0.06
+  432.2625 C25H32N6O+ 7 432.2632 -1.65
+  456.213 C24H30N3O6+ 7 456.2129 0.19
+  468.2626 C24H39ClN3O4+ 7 468.2624 0.53
+  496.2579 C29H32N6O2+ 7 496.2581 -0.37
+  609.3422 C36H49O8+ 9 609.3422 -0.06
+PK$NUM_PEAK: 19
+PK$PEAK: m/z int. rel.int.
+  131.1177 73521.5 28
+  132.102 1266141.1 489
+  150.0914 2583248.5 999
+  162.1045 1225212.1 473
+  174.104 56852.1 21
+  178.0861 220990.3 85
+  195.1127 494335.2 191
+  206.0808 346160.8 133
+  231.17 104575.9 40
+  260.1276 114842.4 44
+  271.165 236389.3 91
+  301.1674 885965.9 342
+  319.1785 171686 66
+  369.194 759141.1 293
+  432.2625 1432818.6 554
+  456.213 239199.8 92
+  468.2626 318320.9 123
+  496.2579 690030.8 266
+  609.3422 267789.6 103
+//
diff --git a/Eawag/MSBNK-EAWAG-ED224005.txt b/Eawag/MSBNK-EAWAG-ED224005.txt
new file mode 100644
index 0000000000..f9492d2c72
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED224005.txt
@@ -0,0 +1,77 @@
+ACCESSION: MSBNK-EAWAG-ED224005
+RECORD_TITLE: Microginin 299A; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.21577/0100-4042.20170640
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2240
+CH$NAME: Microginin 299A
+CH$NAME: (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-3-amino-10-chloro-2-hydroxydecanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C45H67ClN6O10
+CH$EXACT_MASS: 886.46072
+CH$SMILES: CC(C)[C@@H](C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)[C@@H](CC1=CC=C(C=C1)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)O)NC(=O)[C@H]([C@H](CCCCCCCCl)N)O
+CH$IUPAC: InChI=1S/C45H67ClN6O10/c1-27(2)37(49-41(57)39(55)33(47)13-10-8-7-9-11-23-46)43(59)51(6)38(28(3)4)44(60)50(5)36(26-30-17-21-32(54)22-18-30)42(58)52-24-12-14-35(52)40(56)48-34(45(61)62)25-29-15-19-31(53)20-16-29/h15-22,27-28,33-39,53-55H,7-14,23-26,47H2,1-6H3,(H,48,56)(H,49,57)(H,61,62)/t33-,34-,35-,36-,37-,38-,39-/m0/s1
+CH$LINK: PUBCHEM CID:10056525
+CH$LINK: INCHIKEY GTUNZCVHPMEXMH-ZTYVOHGWSA-N
+CH$LINK: CHEMSPIDER 8232083
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 92-926
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.735 min
+MS$FOCUSED_ION: BASE_PEAK 132.9582
+MS$FOCUSED_ION: PRECURSOR_M/Z 887.468
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0w29-0900000000-ca291ed7b268cb58335d
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  114.0913 C6H12NO+ 2 114.0913 -0.57
+  130.0863 C6H12NO2+ 2 130.0863 0.57
+  132.1019 C6H14NO2+ 2 132.1019 -0.35
+  142.0859 C7H12NO2+ 2 142.0863 -2.24
+  150.0913 C9H12NO+ 2 150.0913 -0.44
+  162.1043 C8H17ClN+ 2 162.1044 -0.42
+  174.1047 C9H17ClN+ 2 174.1044 1.71
+  178.0861 C10H12NO2+ 3 178.0863 -0.74
+  192.1149 C9H19ClNO+ 2 192.115 -0.35
+  195.1125 C10H15N2O2+ 3 195.1128 -1.65
+  196.133 C11H18NO2+ 3 196.1332 -0.82
+  202.0989 C13H14O2+ 3 202.0988 0.1
+  206.081 C11H12NO3+ 3 206.0812 -0.6
+  260.1272 C10H19ClN5O+ 4 260.1273 -0.17
+  271.1654 C13H23N2O4+ 4 271.1652 0.73
+  273.1723 C17H23NO2+ 5 273.1723 0.03
+  301.1671 C18H23NO3+ 5 301.1672 -0.45
+PK$NUM_PEAK: 17
+PK$PEAK: m/z int. rel.int.
+  114.0913 95898.6 34
+  130.0863 99559.2 36
+  132.1019 673965.3 244
+  142.0859 40764.7 14
+  150.0913 2741789.5 992
+  162.1043 2759198.5 999
+  174.1047 124754.6 45
+  178.0861 343056.4 124
+  192.1149 146605 53
+  195.1125 333812.9 120
+  196.133 191694.2 69
+  202.0989 167755.5 60
+  206.081 79088.4 28
+  260.1272 258960.8 93
+  271.1654 80288.3 29
+  273.1723 119580.3 43
+  301.1671 304220.4 110
+//
diff --git a/Eawag/MSBNK-EAWAG-ED224006.txt b/Eawag/MSBNK-EAWAG-ED224006.txt
new file mode 100644
index 0000000000..de3b5b9a99
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED224006.txt
@@ -0,0 +1,73 @@
+ACCESSION: MSBNK-EAWAG-ED224006
+RECORD_TITLE: Microginin 299A; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.21577/0100-4042.20170640
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2240
+CH$NAME: Microginin 299A
+CH$NAME: (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-3-amino-10-chloro-2-hydroxydecanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C45H67ClN6O10
+CH$EXACT_MASS: 886.46072
+CH$SMILES: CC(C)[C@@H](C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)[C@@H](CC1=CC=C(C=C1)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)O)NC(=O)[C@H]([C@H](CCCCCCCCl)N)O
+CH$IUPAC: InChI=1S/C45H67ClN6O10/c1-27(2)37(49-41(57)39(55)33(47)13-10-8-7-9-11-23-46)43(59)51(6)38(28(3)4)44(60)50(5)36(26-30-17-21-32(54)22-18-30)42(58)52-24-12-14-35(52)40(56)48-34(45(61)62)25-29-15-19-31(53)20-16-29/h15-22,27-28,33-39,53-55H,7-14,23-26,47H2,1-6H3,(H,48,56)(H,49,57)(H,61,62)/t33-,34-,35-,36-,37-,38-,39-/m0/s1
+CH$LINK: PUBCHEM CID:10056525
+CH$LINK: INCHIKEY GTUNZCVHPMEXMH-ZTYVOHGWSA-N
+CH$LINK: CHEMSPIDER 8232083
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 92-926
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.735 min
+MS$FOCUSED_ION: BASE_PEAK 132.9582
+MS$FOCUSED_ION: PRECURSOR_M/Z 887.468
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0ik9-0900000000-66344222201ee3e19217
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  109.1013 C8H13+ 1 109.1012 1.1
+  114.0914 C6H12NO+ 2 114.0913 0.5
+  119.0495 C5H10ClN+ 2 119.0496 -1.17
+  121.0649 C8H9O+ 2 121.0648 1.15
+  130.0861 C6H12NO2+ 2 130.0863 -1.07
+  132.1019 C6H14NO2+ 2 132.1019 -0.23
+  150.0913 C9H12NO+ 2 150.0913 -0.04
+  162.1044 C8H17ClN+ 2 162.1044 -0.04
+  174.1051 C9H17ClN+ 2 174.1044 4.25
+  178.0862 C10H12NO2+ 3 178.0863 -0.48
+  192.1144 C9H19ClNO+ 3 192.115 -3.13
+  195.113 C10H15N2O2+ 2 195.1128 0.78
+  196.1328 C11H18NO2+ 4 196.1332 -2.14
+  202.099 C13H14O2+ 2 202.0988 0.93
+  260.1274 C10H19ClN5O+ 5 260.1273 0.41
+PK$NUM_PEAK: 15
+PK$PEAK: m/z int. rel.int.
+  109.1013 65424.7 19
+  114.0914 116363.2 34
+  119.0495 46249.9 13
+  121.0649 141188.5 42
+  130.0861 178632.8 53
+  132.1019 269432 80
+  150.0913 2800959 834
+  162.1044 3354122.2 999
+  174.1051 101768.2 30
+  178.0862 197130.2 58
+  192.1144 95228.2 28
+  195.113 81272.4 24
+  196.1328 143131.8 42
+  202.099 157912.8 47
+  260.1274 216600.3 64
+//
diff --git a/Eawag/MSBNK-EAWAG-ED224007.txt b/Eawag/MSBNK-EAWAG-ED224007.txt
new file mode 100644
index 0000000000..14d59b363b
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED224007.txt
@@ -0,0 +1,77 @@
+ACCESSION: MSBNK-EAWAG-ED224007
+RECORD_TITLE: Microginin 299A; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.21577/0100-4042.20170640
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2240
+CH$NAME: Microginin 299A
+CH$NAME: (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-3-amino-10-chloro-2-hydroxydecanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C45H67ClN6O10
+CH$EXACT_MASS: 886.46072
+CH$SMILES: CC(C)[C@@H](C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)[C@@H](CC1=CC=C(C=C1)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)O)NC(=O)[C@H]([C@H](CCCCCCCCl)N)O
+CH$IUPAC: InChI=1S/C45H67ClN6O10/c1-27(2)37(49-41(57)39(55)33(47)13-10-8-7-9-11-23-46)43(59)51(6)38(28(3)4)44(60)50(5)36(26-30-17-21-32(54)22-18-30)42(58)52-24-12-14-35(52)40(56)48-34(45(61)62)25-29-15-19-31(53)20-16-29/h15-22,27-28,33-39,53-55H,7-14,23-26,47H2,1-6H3,(H,48,56)(H,49,57)(H,61,62)/t33-,34-,35-,36-,37-,38-,39-/m0/s1
+CH$LINK: PUBCHEM CID:10056525
+CH$LINK: INCHIKEY GTUNZCVHPMEXMH-ZTYVOHGWSA-N
+CH$LINK: CHEMSPIDER 8232083
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 92-926
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.735 min
+MS$FOCUSED_ION: BASE_PEAK 132.9582
+MS$FOCUSED_ION: PRECURSOR_M/Z 887.468
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0ik9-0900000000-9078d9ab18c99b6e3c82
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  107.049 C7H7O+ 1 107.0491 -1.28
+  109.1013 C8H13+ 1 109.1012 0.82
+  114.0914 C6H12NO+ 2 114.0913 0.16
+  119.0495 C5H10ClN+ 2 119.0496 -1.17
+  121.0648 C8H9O+ 2 121.0648 0.21
+  126.1276 C8H16N+ 1 126.1277 -0.64
+  130.0862 C6H12NO2+ 2 130.0863 -0.13
+  132.1017 C6H14NO2+ 2 132.1019 -1.5
+  135.0681 C8H9NO+ 2 135.0679 1.74
+  150.0913 C9H12NO+ 2 150.0913 -0.14
+  162.1044 C8H17ClN+ 2 162.1044 -0.04
+  174.0896 C9H10N4+ 2 174.09 -2.22
+  178.0862 C10H12NO2+ 3 178.0863 -0.48
+  192.115 C9H19ClNO+ 2 192.115 -0.04
+  196.1328 C11H18NO2+ 4 196.1332 -1.91
+  202.0989 C13H14O2+ 3 202.0988 0.4
+  260.1272 C10H19ClN5O+ 4 260.1273 -0.41
+PK$NUM_PEAK: 17
+PK$PEAK: m/z int. rel.int.
+  107.049 77370.7 26
+  109.1013 201471 69
+  114.0914 143370.2 49
+  119.0495 80867.5 27
+  121.0648 218362.8 74
+  126.1276 145741.8 49
+  130.0862 220158.7 75
+  132.1017 119601.1 40
+  135.0681 104344.7 35
+  150.0913 2349904.5 805
+  162.1044 2916151.2 999
+  174.0896 30774.7 10
+  178.0862 95718.6 32
+  192.115 58492.4 20
+  196.1328 101370.4 34
+  202.0989 105536.8 36
+  260.1272 73028.3 25
+//
diff --git a/Eawag/MSBNK-EAWAG-ED224008.txt b/Eawag/MSBNK-EAWAG-ED224008.txt
new file mode 100644
index 0000000000..829cc04dbb
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED224008.txt
@@ -0,0 +1,67 @@
+ACCESSION: MSBNK-EAWAG-ED224008
+RECORD_TITLE: Microginin 299A; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.21577/0100-4042.20170640
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2240
+CH$NAME: Microginin 299A
+CH$NAME: (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-3-amino-10-chloro-2-hydroxydecanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C45H67ClN6O10
+CH$EXACT_MASS: 886.46072
+CH$SMILES: CC(C)[C@@H](C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)[C@@H](CC1=CC=C(C=C1)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)O)NC(=O)[C@H]([C@H](CCCCCCCCl)N)O
+CH$IUPAC: InChI=1S/C45H67ClN6O10/c1-27(2)37(49-41(57)39(55)33(47)13-10-8-7-9-11-23-46)43(59)51(6)38(28(3)4)44(60)50(5)36(26-30-17-21-32(54)22-18-30)42(58)52-24-12-14-35(52)40(56)48-34(45(61)62)25-29-15-19-31(53)20-16-29/h15-22,27-28,33-39,53-55H,7-14,23-26,47H2,1-6H3,(H,48,56)(H,49,57)(H,61,62)/t33-,34-,35-,36-,37-,38-,39-/m0/s1
+CH$LINK: PUBCHEM CID:10056525
+CH$LINK: INCHIKEY GTUNZCVHPMEXMH-ZTYVOHGWSA-N
+CH$LINK: CHEMSPIDER 8232083
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 92-926
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.735 min
+MS$FOCUSED_ION: BASE_PEAK 132.9582
+MS$FOCUSED_ION: PRECURSOR_M/Z 887.468
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0ik9-0900000000-08bbb1d901e27d35881c
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  93.07 C7H9+ 1 93.0699 0.79
+  107.0491 C7H7O+ 1 107.0491 -0.85
+  109.1012 C8H13+ 1 109.1012 -0.16
+  114.0913 C6H12NO+ 2 114.0913 -0.37
+  119.0493 C8H7O+ 2 119.0491 0.93
+  121.0648 C8H9O+ 2 121.0648 0.33
+  126.1277 C8H16N+ 1 126.1277 -0.09
+  130.0861 C6H12NO2+ 2 130.0863 -1.07
+  132.102 C6H14NO2+ 2 132.1019 0.69
+  135.0679 C8H9NO+ 2 135.0679 0.05
+  150.0914 C9H12NO+ 2 150.0913 0.17
+  162.1044 C8H17ClN+ 2 162.1044 0.05
+PK$NUM_PEAK: 12
+PK$PEAK: m/z int. rel.int.
+  93.07 29709.9 17
+  107.0491 114084.4 68
+  109.1012 260374.2 155
+  114.0913 115588 69
+  119.0493 115895.4 69
+  121.0648 225844.9 134
+  126.1277 181010.2 108
+  130.0861 129670.7 77
+  132.102 28726.9 17
+  135.0679 171615.6 102
+  150.0914 1524354.8 910
+  162.1044 1672660.5 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED224009.txt b/Eawag/MSBNK-EAWAG-ED224009.txt
new file mode 100644
index 0000000000..67c5a02828
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED224009.txt
@@ -0,0 +1,69 @@
+ACCESSION: MSBNK-EAWAG-ED224009
+RECORD_TITLE: Microginin 299A; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.21577/0100-4042.20170640
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2240
+CH$NAME: Microginin 299A
+CH$NAME: (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-3-amino-10-chloro-2-hydroxydecanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C45H67ClN6O10
+CH$EXACT_MASS: 886.46072
+CH$SMILES: CC(C)[C@@H](C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)[C@@H](CC1=CC=C(C=C1)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)O)NC(=O)[C@H]([C@H](CCCCCCCCl)N)O
+CH$IUPAC: InChI=1S/C45H67ClN6O10/c1-27(2)37(49-41(57)39(55)33(47)13-10-8-7-9-11-23-46)43(59)51(6)38(28(3)4)44(60)50(5)36(26-30-17-21-32(54)22-18-30)42(58)52-24-12-14-35(52)40(56)48-34(45(61)62)25-29-15-19-31(53)20-16-29/h15-22,27-28,33-39,53-55H,7-14,23-26,47H2,1-6H3,(H,48,56)(H,49,57)(H,61,62)/t33-,34-,35-,36-,37-,38-,39-/m0/s1
+CH$LINK: PUBCHEM CID:10056525
+CH$LINK: INCHIKEY GTUNZCVHPMEXMH-ZTYVOHGWSA-N
+CH$LINK: CHEMSPIDER 8232083
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 92-926
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.735 min
+MS$FOCUSED_ION: BASE_PEAK 132.9582
+MS$FOCUSED_ION: PRECURSOR_M/Z 887.468
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0w29-0900000000-315af8f6b19d070ea00a
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  93.07 C7H9+ 1 93.0699 1.53
+  107.0492 C7H7O+ 2 107.0491 0.29
+  109.0648 C7H9O+ 2 109.0648 0.41
+  109.1012 C8H13+ 1 109.1012 -0.09
+  112.076 C6H10NO+ 2 112.0757 2.33
+  114.0913 C6H12NO+ 2 114.0913 -0.17
+  119.0491 C8H7O+ 2 119.0491 0.04
+  121.0647 C8H9O+ 2 121.0648 -0.61
+  126.1277 C8H16N+ 1 126.1277 0.15
+  130.0864 C6H12NO2+ 2 130.0863 1.16
+  135.0679 C8H9NO+ 2 135.0679 0.61
+  150.0914 C9H12NO+ 2 150.0913 0.06
+  162.1045 C8H17ClN+ 2 162.1044 0.33
+PK$NUM_PEAK: 13
+PK$PEAK: m/z int. rel.int.
+  93.07 41402 46
+  107.0492 163221.5 182
+  109.0648 45511.7 50
+  109.1012 209861.8 235
+  112.076 14394.3 16
+  114.0913 81543.9 91
+  119.0491 155238.8 173
+  121.0647 217120.7 243
+  126.1277 134508.8 150
+  130.0864 73858.2 82
+  135.0679 248759.1 278
+  150.0914 891989.2 999
+  162.1045 701471.6 785
+//
diff --git a/Eawag/MSBNK-EAWAG-ED224051.txt b/Eawag/MSBNK-EAWAG-ED224051.txt
new file mode 100644
index 0000000000..c055e2eccd
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED224051.txt
@@ -0,0 +1,47 @@
+ACCESSION: MSBNK-EAWAG-ED224051
+RECORD_TITLE: Microginin 299A; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.21577/0100-4042.20170640
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2240
+CH$NAME: Microginin 299A
+CH$NAME: (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-3-amino-10-chloro-2-hydroxydecanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C45H67ClN6O10
+CH$EXACT_MASS: 886.46072
+CH$SMILES: CC(C)[C@@H](C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)[C@@H](CC1=CC=C(C=C1)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)O)NC(=O)[C@H]([C@H](CCCCCCCCl)N)O
+CH$IUPAC: InChI=1S/C45H67ClN6O10/c1-27(2)37(49-41(57)39(55)33(47)13-10-8-7-9-11-23-46)43(59)51(6)38(28(3)4)44(60)50(5)36(26-30-17-21-32(54)22-18-30)42(58)52-24-12-14-35(52)40(56)48-34(45(61)62)25-29-15-19-31(53)20-16-29/h15-22,27-28,33-39,53-55H,7-14,23-26,47H2,1-6H3,(H,48,56)(H,49,57)(H,61,62)/t33-,34-,35-,36-,37-,38-,39-/m0/s1
+CH$LINK: PUBCHEM CID:10056525
+CH$LINK: INCHIKEY GTUNZCVHPMEXMH-ZTYVOHGWSA-N
+CH$LINK: CHEMSPIDER 8232083
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 92-924
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.749 min
+MS$FOCUSED_ION: BASE_PEAK 885.454
+MS$FOCUSED_ION: PRECURSOR_M/Z 885.4534
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-000i-0000000090-cbacdb595ad87c6b7454
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  849.4774 C45H65N6O10- 1 849.4768 0.77
+  885.4537 C45H66ClN6O10- 1 885.4534 0.32
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  849.4774 425023.1 24
+  885.4537 17501442 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED224052.txt b/Eawag/MSBNK-EAWAG-ED224052.txt
new file mode 100644
index 0000000000..61acd05c67
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED224052.txt
@@ -0,0 +1,49 @@
+ACCESSION: MSBNK-EAWAG-ED224052
+RECORD_TITLE: Microginin 299A; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.21577/0100-4042.20170640
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2240
+CH$NAME: Microginin 299A
+CH$NAME: (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-3-amino-10-chloro-2-hydroxydecanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C45H67ClN6O10
+CH$EXACT_MASS: 886.46072
+CH$SMILES: CC(C)[C@@H](C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)[C@@H](CC1=CC=C(C=C1)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)O)NC(=O)[C@H]([C@H](CCCCCCCCl)N)O
+CH$IUPAC: InChI=1S/C45H67ClN6O10/c1-27(2)37(49-41(57)39(55)33(47)13-10-8-7-9-11-23-46)43(59)51(6)38(28(3)4)44(60)50(5)36(26-30-17-21-32(54)22-18-30)42(58)52-24-12-14-35(52)40(56)48-34(45(61)62)25-29-15-19-31(53)20-16-29/h15-22,27-28,33-39,53-55H,7-14,23-26,47H2,1-6H3,(H,48,56)(H,49,57)(H,61,62)/t33-,34-,35-,36-,37-,38-,39-/m0/s1
+CH$LINK: PUBCHEM CID:10056525
+CH$LINK: INCHIKEY GTUNZCVHPMEXMH-ZTYVOHGWSA-N
+CH$LINK: CHEMSPIDER 8232083
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 92-924
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.749 min
+MS$FOCUSED_ION: BASE_PEAK 885.454
+MS$FOCUSED_ION: PRECURSOR_M/Z 885.4534
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-000i-0000000090-44d3d02ead79e92bd746
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  743.4353 C38H59N6O9- 5 743.4349 0.57
+  849.4766 C45H65N6O10- 1 849.4768 -0.24
+  885.4535 C45H66ClN6O10- 1 885.4534 0.04
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  743.4353 152255.7 10
+  849.4766 1599737.9 109
+  885.4535 14564628 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED224053.txt b/Eawag/MSBNK-EAWAG-ED224053.txt
new file mode 100644
index 0000000000..1f2c3c34d4
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED224053.txt
@@ -0,0 +1,53 @@
+ACCESSION: MSBNK-EAWAG-ED224053
+RECORD_TITLE: Microginin 299A; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.21577/0100-4042.20170640
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2240
+CH$NAME: Microginin 299A
+CH$NAME: (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-3-amino-10-chloro-2-hydroxydecanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C45H67ClN6O10
+CH$EXACT_MASS: 886.46072
+CH$SMILES: CC(C)[C@@H](C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)[C@@H](CC1=CC=C(C=C1)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)O)NC(=O)[C@H]([C@H](CCCCCCCCl)N)O
+CH$IUPAC: InChI=1S/C45H67ClN6O10/c1-27(2)37(49-41(57)39(55)33(47)13-10-8-7-9-11-23-46)43(59)51(6)38(28(3)4)44(60)50(5)36(26-30-17-21-32(54)22-18-30)42(58)52-24-12-14-35(52)40(56)48-34(45(61)62)25-29-15-19-31(53)20-16-29/h15-22,27-28,33-39,53-55H,7-14,23-26,47H2,1-6H3,(H,48,56)(H,49,57)(H,61,62)/t33-,34-,35-,36-,37-,38-,39-/m0/s1
+CH$LINK: PUBCHEM CID:10056525
+CH$LINK: INCHIKEY GTUNZCVHPMEXMH-ZTYVOHGWSA-N
+CH$LINK: CHEMSPIDER 8232083
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 92-924
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.749 min
+MS$FOCUSED_ION: BASE_PEAK 885.454
+MS$FOCUSED_ION: PRECURSOR_M/Z 885.4534
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-000i-0000000090-02ceffafbc8a503cfd10
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  277.1186 C9H18ClN6O2- 5 277.1185 0.16
+  423.1552 C18H24ClN6O4- 6 423.1553 -0.29
+  743.4345 C38H59N6O9- 5 743.4349 -0.58
+  849.476 C45H65N6O10- 1 849.4768 -0.95
+  885.4536 C45H66ClN6O10- 1 885.4534 0.18
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  277.1186 703887.6 71
+  423.1552 260003.2 26
+  743.4345 817833 82
+  849.476 2697233 272
+  885.4536 9886974 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED224054.txt b/Eawag/MSBNK-EAWAG-ED224054.txt
new file mode 100644
index 0000000000..f542d7c336
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED224054.txt
@@ -0,0 +1,69 @@
+ACCESSION: MSBNK-EAWAG-ED224054
+RECORD_TITLE: Microginin 299A; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.21577/0100-4042.20170640
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2240
+CH$NAME: Microginin 299A
+CH$NAME: (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-3-amino-10-chloro-2-hydroxydecanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C45H67ClN6O10
+CH$EXACT_MASS: 886.46072
+CH$SMILES: CC(C)[C@@H](C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)[C@@H](CC1=CC=C(C=C1)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)O)NC(=O)[C@H]([C@H](CCCCCCCCl)N)O
+CH$IUPAC: InChI=1S/C45H67ClN6O10/c1-27(2)37(49-41(57)39(55)33(47)13-10-8-7-9-11-23-46)43(59)51(6)38(28(3)4)44(60)50(5)36(26-30-17-21-32(54)22-18-30)42(58)52-24-12-14-35(52)40(56)48-34(45(61)62)25-29-15-19-31(53)20-16-29/h15-22,27-28,33-39,53-55H,7-14,23-26,47H2,1-6H3,(H,48,56)(H,49,57)(H,61,62)/t33-,34-,35-,36-,37-,38-,39-/m0/s1
+CH$LINK: PUBCHEM CID:10056525
+CH$LINK: INCHIKEY GTUNZCVHPMEXMH-ZTYVOHGWSA-N
+CH$LINK: CHEMSPIDER 8232083
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 92-924
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.749 min
+MS$FOCUSED_ION: BASE_PEAK 885.454
+MS$FOCUSED_ION: PRECURSOR_M/Z 885.4534
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-002s-0030100290-73747afc666290d2f725
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  113.0718 C5H9N2O- 1 113.072 -2.09
+  119.0502 C8H7O- 2 119.0502 -0.71
+  145.0294 C9H5O2- 2 145.0295 -0.68
+  163.0397 C4H8ClN4O- 2 163.0392 2.85
+  242.1869 C8H31ClO5- 4 242.1866 1.5
+  277.1187 C9H18ClN6O2- 4 277.1185 0.6
+  379.1658 C17H24ClN6O2- 6 379.1655 0.9
+  423.1555 C18H24ClN6O4- 7 423.1553 0.5
+  454.1977 C20H35ClO9- 7 454.1975 0.47
+  743.4347 C38H59N6O9- 4 743.4349 -0.25
+  779.4122 C41H57N5O10- 5 779.4111 1.41
+  849.4764 C45H65N6O10- 1 849.4768 -0.38
+  885.4536 C45H66ClN6O10- 1 885.4534 0.18
+PK$NUM_PEAK: 13
+PK$PEAK: m/z int. rel.int.
+  113.0718 34470.4 10
+  119.0502 203364.4 60
+  145.0294 216612.3 64
+  163.0397 39304.2 11
+  242.1869 52732.7 15
+  277.1187 2189524 651
+  379.1658 225025.8 66
+  423.1555 455602.9 135
+  454.1977 185445.1 55
+  743.4347 965218.7 286
+  779.4122 317804.2 94
+  849.4764 1866356.9 554
+  885.4536 3359840.5 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED224055.txt b/Eawag/MSBNK-EAWAG-ED224055.txt
new file mode 100644
index 0000000000..955d4da556
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED224055.txt
@@ -0,0 +1,85 @@
+ACCESSION: MSBNK-EAWAG-ED224055
+RECORD_TITLE: Microginin 299A; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.21577/0100-4042.20170640
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2240
+CH$NAME: Microginin 299A
+CH$NAME: (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-3-amino-10-chloro-2-hydroxydecanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C45H67ClN6O10
+CH$EXACT_MASS: 886.46072
+CH$SMILES: CC(C)[C@@H](C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)[C@@H](CC1=CC=C(C=C1)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)O)NC(=O)[C@H]([C@H](CCCCCCCCl)N)O
+CH$IUPAC: InChI=1S/C45H67ClN6O10/c1-27(2)37(49-41(57)39(55)33(47)13-10-8-7-9-11-23-46)43(59)51(6)38(28(3)4)44(60)50(5)36(26-30-17-21-32(54)22-18-30)42(58)52-24-12-14-35(52)40(56)48-34(45(61)62)25-29-15-19-31(53)20-16-29/h15-22,27-28,33-39,53-55H,7-14,23-26,47H2,1-6H3,(H,48,56)(H,49,57)(H,61,62)/t33-,34-,35-,36-,37-,38-,39-/m0/s1
+CH$LINK: PUBCHEM CID:10056525
+CH$LINK: INCHIKEY GTUNZCVHPMEXMH-ZTYVOHGWSA-N
+CH$LINK: CHEMSPIDER 8232083
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 92-924
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.749 min
+MS$FOCUSED_ION: BASE_PEAK 885.454
+MS$FOCUSED_ION: PRECURSOR_M/Z 885.4534
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-004i-0790000000-28104c1fce6521ab41fe
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  93.0345 C6H5O- 1 93.0346 -1.09
+  113.072 C5H9N2O- 2 113.072 -0.33
+  119.0501 C8H7O- 1 119.0502 -0.96
+  126.056 C6H8NO2- 2 126.0561 -0.74
+  129.103 C6H13N2O- 1 129.1033 -2.47
+  139.0512 C6H7N2O2- 2 139.0513 -0.47
+  143.1188 C7H15N2O- 2 143.119 -1.58
+  145.0292 C9H5O2- 2 145.0295 -2.16
+  153.0668 C2H10ClN6- 3 153.0661 4.45
+  156.0661 C2H11ClN5O- 2 156.0658 2.25
+  163.0395 C4H8ClN4O- 3 163.0392 1.91
+  171.077 C2H12ClN6O- 3 171.0767 1.76
+  180.066 C9H10NO3- 3 180.0666 -3.55
+  211.1443 C6H20ClN6- 3 211.1443 -0.17
+  233.1288 C8H18ClN6- 3 233.1287 0.41
+  242.1864 C8H31ClO5- 4 242.1866 -0.65
+  277.1187 C9H18ClN6O2- 4 277.1185 0.71
+  379.1654 C17H24ClN6O2- 6 379.1655 -0.07
+  423.1556 C18H24ClN6O4- 6 423.1553 0.79
+  454.1974 C20H35ClO9- 6 454.1975 -0.27
+  501.2843 C27H39N3O6- 8 501.2844 -0.35
+PK$NUM_PEAK: 21
+PK$PEAK: m/z int. rel.int.
+  93.0345 30910.9 11
+  113.072 327030.8 126
+  119.0501 858669 332
+  126.056 118400.5 45
+  129.103 82536.4 32
+  139.0512 76031.2 29
+  143.1188 148680.9 57
+  145.0292 453110.6 175
+  153.0668 69240.5 26
+  156.0661 32885.7 12
+  163.0395 133429 51
+  171.077 332264.4 128
+  180.066 164386.5 63
+  211.1443 194484.2 75
+  233.1288 405010.1 157
+  242.1864 194710.7 75
+  277.1187 2576118.2 999
+  379.1654 109514.1 42
+  423.1556 69228.6 26
+  454.1974 55392.6 21
+  501.2843 35012.8 13
+//
diff --git a/Eawag/MSBNK-EAWAG-ED224056.txt b/Eawag/MSBNK-EAWAG-ED224056.txt
new file mode 100644
index 0000000000..83f52546eb
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED224056.txt
@@ -0,0 +1,105 @@
+ACCESSION: MSBNK-EAWAG-ED224056
+RECORD_TITLE: Microginin 299A; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.21577/0100-4042.20170640
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2240
+CH$NAME: Microginin 299A
+CH$NAME: (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-3-amino-10-chloro-2-hydroxydecanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C45H67ClN6O10
+CH$EXACT_MASS: 886.46072
+CH$SMILES: CC(C)[C@@H](C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)[C@@H](CC1=CC=C(C=C1)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)O)NC(=O)[C@H]([C@H](CCCCCCCCl)N)O
+CH$IUPAC: InChI=1S/C45H67ClN6O10/c1-27(2)37(49-41(57)39(55)33(47)13-10-8-7-9-11-23-46)43(59)51(6)38(28(3)4)44(60)50(5)36(26-30-17-21-32(54)22-18-30)42(58)52-24-12-14-35(52)40(56)48-34(45(61)62)25-29-15-19-31(53)20-16-29/h15-22,27-28,33-39,53-55H,7-14,23-26,47H2,1-6H3,(H,48,56)(H,49,57)(H,61,62)/t33-,34-,35-,36-,37-,38-,39-/m0/s1
+CH$LINK: PUBCHEM CID:10056525
+CH$LINK: INCHIKEY GTUNZCVHPMEXMH-ZTYVOHGWSA-N
+CH$LINK: CHEMSPIDER 8232083
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 92-924
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.749 min
+MS$FOCUSED_ION: BASE_PEAK 885.454
+MS$FOCUSED_ION: PRECURSOR_M/Z 885.4534
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-02e9-0940000000-3f90b44752fdbf59dd30
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  93.0345 C6H5O- 1 93.0346 -0.52
+  113.0719 C5H9N2O- 1 113.072 -0.94
+  117.0346 C8H5O- 2 117.0346 0.24
+  119.0501 C8H7O- 1 119.0502 -1.35
+  126.056 C6H8NO2- 2 126.0561 -0.62
+  127.0874 C6H11N2O- 1 127.0877 -2.15
+  129.1032 C6H13N2O- 1 129.1033 -1.29
+  130.087 C6H12NO2- 2 130.0874 -2.67
+  134.0612 C8H8NO- 2 134.0611 0.39
+  136.077 C8H10NO- 2 136.0768 1.45
+  138.056 C7H8NO2- 2 138.0561 -0.34
+  139.051 C6H7N2O2- 2 139.0513 -2.22
+  139.0877 C7H11N2O- 2 139.0877 -0.2
+  140.0719 C7H10NO2- 2 140.0717 1.75
+  143.1186 C7H15N2O- 1 143.119 -2.43
+  145.0291 C9H5O2- 2 145.0295 -2.47
+  153.0667 C2H10ClN6- 3 153.0661 4.05
+  156.066 C2H11ClN5O- 3 156.0658 1.27
+  163.0396 C4H8ClN4O- 2 163.0392 2.29
+  168.09 C3H13ClN6- 2 168.0896 2.59
+  169.0978 C3H14ClN6- 2 169.0974 2.35
+  171.077 C2H12ClN6O- 3 171.0767 1.76
+  180.0659 C9H10NO3- 3 180.0666 -3.72
+  183.1134 C9H15N2O2- 3 183.1139 -2.65
+  211.1446 C6H20ClN6- 3 211.1443 0.99
+  214.0867 C8H13ClN5- 3 214.0865 0.84
+  231.1136 C13H15N2O2- 4 231.1139 -1.13
+  233.1288 C8H18ClN6- 3 233.1287 0.41
+  242.082 C9H13ClN5O- 5 242.0814 2.4
+  242.1863 C8H31ClO5- 4 242.1866 -0.9
+  277.1186 C9H18ClN6O2- 4 277.1185 0.27
+PK$NUM_PEAK: 31
+PK$PEAK: m/z int. rel.int.
+  93.0345 58957.2 56
+  113.0719 863290.8 833
+  117.0346 43815 42
+  119.0501 1034304.1 999
+  126.056 65611 63
+  127.0874 79507 76
+  129.1032 186293.6 179
+  130.087 14331.2 13
+  134.0612 32741.1 31
+  136.077 26907.4 25
+  138.056 28515.4 27
+  139.051 92284.4 89
+  139.0877 31271.9 30
+  140.0719 24591.1 23
+  143.1186 252031.2 243
+  145.0291 387765.8 374
+  153.0667 101685.8 98
+  156.066 16839.4 16
+  163.0396 172389.9 166
+  168.09 78134.5 75
+  169.0978 30460.4 29
+  171.077 407816 393
+  180.0659 180328.5 174
+  183.1134 57098.2 55
+  211.1446 181325.2 175
+  214.0867 12096.9 11
+  231.1136 18653.9 18
+  233.1288 857061.1 827
+  242.082 29617 28
+  242.1863 135440.5 130
+  277.1186 909924.9 878
+//
diff --git a/Eawag/MSBNK-EAWAG-ED224057.txt b/Eawag/MSBNK-EAWAG-ED224057.txt
new file mode 100644
index 0000000000..9e28c9b11a
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED224057.txt
@@ -0,0 +1,107 @@
+ACCESSION: MSBNK-EAWAG-ED224057
+RECORD_TITLE: Microginin 299A; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.21577/0100-4042.20170640
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2240
+CH$NAME: Microginin 299A
+CH$NAME: (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-3-amino-10-chloro-2-hydroxydecanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C45H67ClN6O10
+CH$EXACT_MASS: 886.46072
+CH$SMILES: CC(C)[C@@H](C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)[C@@H](CC1=CC=C(C=C1)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)O)NC(=O)[C@H]([C@H](CCCCCCCCl)N)O
+CH$IUPAC: InChI=1S/C45H67ClN6O10/c1-27(2)37(49-41(57)39(55)33(47)13-10-8-7-9-11-23-46)43(59)51(6)38(28(3)4)44(60)50(5)36(26-30-17-21-32(54)22-18-30)42(58)52-24-12-14-35(52)40(56)48-34(45(61)62)25-29-15-19-31(53)20-16-29/h15-22,27-28,33-39,53-55H,7-14,23-26,47H2,1-6H3,(H,48,56)(H,49,57)(H,61,62)/t33-,34-,35-,36-,37-,38-,39-/m0/s1
+CH$LINK: PUBCHEM CID:10056525
+CH$LINK: INCHIKEY GTUNZCVHPMEXMH-ZTYVOHGWSA-N
+CH$LINK: CHEMSPIDER 8232083
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 92-924
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.749 min
+MS$FOCUSED_ION: BASE_PEAK 885.454
+MS$FOCUSED_ION: PRECURSOR_M/Z 885.4534
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03xr-0910000000-d65f4537e6252b2300be
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  93.0345 C6H5O- 1 93.0346 -0.68
+  107.0505 C7H7O- 2 107.0502 2.05
+  111.0565 C5H7N2O- 2 111.0564 1.22
+  113.072 C5H9N2O- 2 113.072 -0.6
+  117.0347 C8H5O- 2 117.0346 1.15
+  119.0501 C8H7O- 1 119.0502 -1.03
+  125.0358 C5H5N2O2- 2 125.0357 0.97
+  125.0719 C6H9N2O- 2 125.072 -0.87
+  126.056 C6H8NO2- 2 126.0561 -0.8
+  127.0874 C6H11N2O- 1 127.0877 -2.33
+  129.1033 C6H13N2O- 2 129.1033 -0.23
+  134.0613 C8H8NO- 2 134.0611 1.08
+  136.077 C8H10NO- 2 136.0768 1.45
+  138.0563 C7H8NO2- 2 138.0561 1.87
+  139.0509 C6H7N2O2- 2 139.0513 -2.55
+  139.0878 C7H11N2O- 2 139.0877 0.9
+  140.0722 C7H10NO2- 2 140.0717 3.38
+  141.1029 C7H13N2O- 1 141.1033 -2.91
+  143.1187 C7H15N2O- 1 143.119 -2.11
+  145.0293 C9H5O2- 2 145.0295 -1.73
+  153.0665 C2H10ClN6- 2 153.0661 2.35
+  154.074 C2H11ClN6- 2 154.0739 0.29
+  163.0393 C4H8ClN4O- 3 163.0392 0.42
+  168.0895 C3H13ClN6- 2 168.0896 -0.32
+  169.0976 C3H14ClN6- 3 169.0974 1.27
+  171.0769 C2H12ClN6O- 3 171.0767 1.5
+  180.0662 C9H10NO3- 3 180.0666 -2.53
+  183.1132 C9H15N2O2- 3 183.1139 -3.82
+  211.1447 C6H20ClN6- 4 211.1443 1.78
+  233.1288 C8H18ClN6- 3 233.1287 0.6
+  242.187 C8H31ClO5- 4 242.1866 1.75
+  277.1189 C9H18ClN6O2- 4 277.1185 1.48
+PK$NUM_PEAK: 32
+PK$PEAK: m/z int. rel.int.
+  93.0345 61803.9 63
+  107.0505 45306.5 46
+  111.0565 19273.1 19
+  113.072 969140 999
+  117.0347 69425 71
+  119.0501 935918.2 964
+  125.0358 32490.9 33
+  125.0719 20602 21
+  126.056 27736 28
+  127.0874 89376.8 92
+  129.1033 213097.1 219
+  134.0613 35228.6 36
+  136.077 22648.9 23
+  138.0563 22225.1 22
+  139.0509 77817.3 80
+  139.0878 36792.1 37
+  140.0722 24078.2 24
+  141.1029 22068 22
+  143.1187 169805.4 175
+  145.0293 276201.8 284
+  153.0665 73202.8 75
+  154.074 12122 12
+  163.0393 103297 106
+  168.0895 89858.9 92
+  169.0976 24656.9 25
+  171.0769 192325.9 198
+  180.0662 96394 99
+  183.1132 27179.5 28
+  211.1447 70756.2 72
+  233.1288 523978.7 540
+  242.187 43127.7 44
+  277.1189 137537 141
+//
diff --git a/Eawag/MSBNK-EAWAG-ED224058.txt b/Eawag/MSBNK-EAWAG-ED224058.txt
new file mode 100644
index 0000000000..b6adf4c2ca
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED224058.txt
@@ -0,0 +1,89 @@
+ACCESSION: MSBNK-EAWAG-ED224058
+RECORD_TITLE: Microginin 299A; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.21577/0100-4042.20170640
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2240
+CH$NAME: Microginin 299A
+CH$NAME: (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-3-amino-10-chloro-2-hydroxydecanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C45H67ClN6O10
+CH$EXACT_MASS: 886.46072
+CH$SMILES: CC(C)[C@@H](C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)[C@@H](CC1=CC=C(C=C1)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)O)NC(=O)[C@H]([C@H](CCCCCCCCl)N)O
+CH$IUPAC: InChI=1S/C45H67ClN6O10/c1-27(2)37(49-41(57)39(55)33(47)13-10-8-7-9-11-23-46)43(59)51(6)38(28(3)4)44(60)50(5)36(26-30-17-21-32(54)22-18-30)42(58)52-24-12-14-35(52)40(56)48-34(45(61)62)25-29-15-19-31(53)20-16-29/h15-22,27-28,33-39,53-55H,7-14,23-26,47H2,1-6H3,(H,48,56)(H,49,57)(H,61,62)/t33-,34-,35-,36-,37-,38-,39-/m0/s1
+CH$LINK: PUBCHEM CID:10056525
+CH$LINK: INCHIKEY GTUNZCVHPMEXMH-ZTYVOHGWSA-N
+CH$LINK: CHEMSPIDER 8232083
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 92-924
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.749 min
+MS$FOCUSED_ION: BASE_PEAK 885.454
+MS$FOCUSED_ION: PRECURSOR_M/Z 885.4534
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-02t9-0900000000-80a94d68ef1a208e0930
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  93.0345 C6H5O- 1 93.0346 -1.01
+  106.0428 C4H9ClN- 2 106.0429 -0.88
+  107.0502 C7H7O- 2 107.0502 -0.09
+  111.0563 C5H7N2O- 2 111.0564 -0.36
+  113.0719 C5H9N2O- 1 113.072 -0.87
+  117.0343 C8H5O- 1 117.0346 -2.17
+  119.0501 C8H7O- 1 119.0502 -1.35
+  125.0357 C5H5N2O2- 2 125.0357 0.6
+  125.0719 C6H9N2O- 1 125.072 -1.24
+  127.0879 C6H11N2O- 2 127.0877 1.58
+  129.1033 C6H13N2O- 2 129.1033 -0.58
+  133.0536 C8H7NO- 2 133.0533 1.91
+  134.0608 C8H8NO- 1 134.0611 -2.57
+  139.0512 C6H7N2O2- 2 139.0513 -1.02
+  143.1189 C7H15N2O- 2 143.119 -0.94
+  145.0292 C9H5O2- 2 145.0295 -2.26
+  153.0664 C2H10ClN6- 2 153.0661 1.95
+  154.0739 C2H11ClN6- 2 154.0739 -0.4
+  154.0877 C5H15ClN2O- 2 154.0878 -1.12
+  168.0896 C3H13ClN6- 2 168.0896 -0.04
+  171.0772 C7H11N2O3- 3 171.0775 -1.9
+  180.066 C9H10NO3- 3 180.0666 -3.63
+  233.1287 C8H18ClN6- 3 233.1287 0.08
+PK$NUM_PEAK: 23
+PK$PEAK: m/z int. rel.int.
+  93.0345 86338.5 100
+  106.0428 23746 27
+  107.0502 53989.7 63
+  111.0563 23731.5 27
+  113.0719 855036.4 999
+  117.0343 120495.5 140
+  119.0501 787393.9 919
+  125.0357 66642 77
+  125.0719 21912.5 25
+  127.0879 57390.8 67
+  129.1033 176482.7 206
+  133.0536 12026.9 14
+  134.0608 40212.7 46
+  139.0512 67533.2 78
+  143.1189 96675.1 112
+  145.0292 206680 241
+  153.0664 47936.5 56
+  154.0739 14003 16
+  154.0877 14780.1 17
+  168.0896 68511.9 80
+  171.0772 68807.2 80
+  180.066 54229.4 63
+  233.1287 215570.2 251
+//
diff --git a/Eawag/MSBNK-EAWAG-ED224059.txt b/Eawag/MSBNK-EAWAG-ED224059.txt
new file mode 100644
index 0000000000..03eaa500aa
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED224059.txt
@@ -0,0 +1,83 @@
+ACCESSION: MSBNK-EAWAG-ED224059
+RECORD_TITLE: Microginin 299A; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.21577/0100-4042.20170640
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2240
+CH$NAME: Microginin 299A
+CH$NAME: (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-3-amino-10-chloro-2-hydroxydecanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C45H67ClN6O10
+CH$EXACT_MASS: 886.46072
+CH$SMILES: CC(C)[C@@H](C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)[C@@H](CC1=CC=C(C=C1)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)O)NC(=O)[C@H]([C@H](CCCCCCCCl)N)O
+CH$IUPAC: InChI=1S/C45H67ClN6O10/c1-27(2)37(49-41(57)39(55)33(47)13-10-8-7-9-11-23-46)43(59)51(6)38(28(3)4)44(60)50(5)36(26-30-17-21-32(54)22-18-30)42(58)52-24-12-14-35(52)40(56)48-34(45(61)62)25-29-15-19-31(53)20-16-29/h15-22,27-28,33-39,53-55H,7-14,23-26,47H2,1-6H3,(H,48,56)(H,49,57)(H,61,62)/t33-,34-,35-,36-,37-,38-,39-/m0/s1
+CH$LINK: PUBCHEM CID:10056525
+CH$LINK: INCHIKEY GTUNZCVHPMEXMH-ZTYVOHGWSA-N
+CH$LINK: CHEMSPIDER 8232083
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 92-924
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.749 min
+MS$FOCUSED_ION: BASE_PEAK 885.454
+MS$FOCUSED_ION: PRECURSOR_M/Z 885.4534
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-02t9-0900000000-bbf7ad76073e3cfc6abb
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  93.0346 C6H5O- 1 93.0346 -0.35
+  99.0565 C4H7N2O- 2 99.0564 1.6
+  106.0427 C4H9ClN- 2 106.0429 -2.18
+  111.0565 C5H7N2O- 2 111.0564 1.01
+  113.072 C5H9N2O- 2 113.072 -0.67
+  117.0344 C8H5O- 1 117.0346 -1.26
+  119.0501 C8H7O- 1 119.0502 -1.15
+  125.0355 C5H5N2O2- 1 125.0357 -1.17
+  125.0722 C6H9N2O- 2 125.072 1.02
+  129.103 C6H13N2O- 1 129.1033 -2.83
+  133.0535 C8H7NO- 2 133.0533 1.45
+  134.0613 C8H8NO- 2 134.0611 1.3
+  138.0563 C7H8NO2- 2 138.0561 1.65
+  139.0514 C6H7N2O2- 2 139.0513 0.41
+  143.1192 C7H15N2O- 2 143.119 1.83
+  145.0293 C9H5O2- 3 145.0295 -1.52
+  153.066 C2H10ClN6- 2 153.0661 -0.34
+  163.0398 C4H8ClN4O- 3 163.0392 3.79
+  168.09 C3H13ClN6- 2 168.0896 2.77
+  233.1287 C8H18ClN6- 3 233.1287 -0.12
+PK$NUM_PEAK: 20
+PK$PEAK: m/z int. rel.int.
+  93.0346 98095.4 149
+  99.0565 15189.5 23
+  106.0427 19672.2 30
+  111.0565 28140.7 42
+  113.072 580531 886
+  117.0344 155721.5 237
+  119.0501 653959 999
+  125.0355 83293.5 127
+  125.0722 19599.3 29
+  129.103 79966.4 122
+  133.0535 25442.5 38
+  134.0613 34611.5 52
+  138.0563 18496.2 28
+  139.0514 63135.8 96
+  143.1192 40300.2 61
+  145.0293 128472.5 196
+  153.066 51176.8 78
+  163.0398 25370 38
+  168.09 33100.5 50
+  233.1287 51388.7 78
+//
diff --git a/Eawag/MSBNK-EAWAG-ED224101.txt b/Eawag/MSBNK-EAWAG-ED224101.txt
new file mode 100644
index 0000000000..197ef7c3fa
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED224101.txt
@@ -0,0 +1,47 @@
+ACCESSION: MSBNK-EAWAG-ED224101
+RECORD_TITLE: Microginin 299B; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.21577/0100-4042.20170640
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2241
+CH$NAME: Microginin 299B
+CH$NAME: (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-3-amino-10,10-dichloro-2-hydroxydecanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C45H66Cl2N6O10
+CH$EXACT_MASS: 920.4217477
+CH$SMILES: CC(C)[C@@H](C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)[C@@H](CC1=CC=C(C=C1)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)O)NC(=O)[C@H]([C@H](CCCCCCC(Cl)Cl)N)O
+CH$IUPAC: InChI=1S/C45H66Cl2N6O10/c1-26(2)37(50-41(58)39(56)32(48)12-9-7-8-10-14-36(46)47)43(60)52(6)38(27(3)4)44(61)51(5)35(25-29-17-21-31(55)22-18-29)42(59)53-23-11-13-34(53)40(57)49-33(45(62)63)24-28-15-19-30(54)20-16-28/h15-22,26-27,32-39,54-56H,7-14,23-25,48H2,1-6H3,(H,49,57)(H,50,58)(H,62,63)/t32-,33-,34-,35-,37-,38-,39-/m0/s1
+CH$LINK: PUBCHEM CID:11766324
+CH$LINK: INCHIKEY IPQXHBHVRZYMAN-RATCGQHHSA-N
+CH$LINK: CHEMSPIDER 9941013
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 96-961
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.362 min
+MS$FOCUSED_ION: BASE_PEAK 132.9582
+MS$FOCUSED_ION: PRECURSOR_M/Z 921.429
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-014i-0000900000-d62f86b3336ce1f9fc94
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  456.2132 C21H33ClN4O5+ 10 456.2134 -0.41
+  466.2235 C21H38Cl2N3O4+ 10 466.2234 0.25
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  456.2132 188766.9 158
+  466.2235 1187881.2 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED224102.txt b/Eawag/MSBNK-EAWAG-ED224102.txt
new file mode 100644
index 0000000000..37919629ee
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED224102.txt
@@ -0,0 +1,55 @@
+ACCESSION: MSBNK-EAWAG-ED224102
+RECORD_TITLE: Microginin 299B; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.21577/0100-4042.20170640
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2241
+CH$NAME: Microginin 299B
+CH$NAME: (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-3-amino-10,10-dichloro-2-hydroxydecanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C45H66Cl2N6O10
+CH$EXACT_MASS: 920.4217477
+CH$SMILES: CC(C)[C@@H](C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)[C@@H](CC1=CC=C(C=C1)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)O)NC(=O)[C@H]([C@H](CCCCCCC(Cl)Cl)N)O
+CH$IUPAC: InChI=1S/C45H66Cl2N6O10/c1-26(2)37(50-41(58)39(56)32(48)12-9-7-8-10-14-36(46)47)43(60)52(6)38(27(3)4)44(61)51(5)35(25-29-17-21-31(55)22-18-29)42(59)53-23-11-13-34(53)40(57)49-33(45(62)63)24-28-15-19-30(54)20-16-28/h15-22,26-27,32-39,54-56H,7-14,23-25,48H2,1-6H3,(H,49,57)(H,50,58)(H,62,63)/t32-,33-,34-,35-,37-,38-,39-/m0/s1
+CH$LINK: PUBCHEM CID:11766324
+CH$LINK: INCHIKEY IPQXHBHVRZYMAN-RATCGQHHSA-N
+CH$LINK: CHEMSPIDER 9941013
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 96-961
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.362 min
+MS$FOCUSED_ION: BASE_PEAK 132.9582
+MS$FOCUSED_ION: PRECURSOR_M/Z 921.429
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0zgi-0900520000-70a21f3a2033ff56211a
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  132.1022 C6H14NO2+ 2 132.1019 2.19
+  150.0914 C9H12NO+ 2 150.0913 0.57
+  206.0808 C3H16Cl2N6+ 5 206.0808 -0.15
+  403.1559 C23H22ClN5+ 11 403.1558 0.25
+  456.2136 C21H33ClN4O5+ 10 456.2134 0.52
+  530.2183 C25H38Cl2N3O5+ 12 530.2183 0.06
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  132.1022 87023.5 424
+  150.0914 204786.4 999
+  206.0808 29237.3 142
+  403.1559 24398 119
+  456.2136 145134.3 708
+  530.2183 92169 449
+//
diff --git a/Eawag/MSBNK-EAWAG-ED224103.txt b/Eawag/MSBNK-EAWAG-ED224103.txt
new file mode 100644
index 0000000000..54f1bf1a98
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED224103.txt
@@ -0,0 +1,55 @@
+ACCESSION: MSBNK-EAWAG-ED224103
+RECORD_TITLE: Microginin 299B; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.21577/0100-4042.20170640
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2241
+CH$NAME: Microginin 299B
+CH$NAME: (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-3-amino-10,10-dichloro-2-hydroxydecanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C45H66Cl2N6O10
+CH$EXACT_MASS: 920.4217477
+CH$SMILES: CC(C)[C@@H](C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)[C@@H](CC1=CC=C(C=C1)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)O)NC(=O)[C@H]([C@H](CCCCCCC(Cl)Cl)N)O
+CH$IUPAC: InChI=1S/C45H66Cl2N6O10/c1-26(2)37(50-41(58)39(56)32(48)12-9-7-8-10-14-36(46)47)43(60)52(6)38(27(3)4)44(61)51(5)35(25-29-17-21-31(55)22-18-29)42(59)53-23-11-13-34(53)40(57)49-33(45(62)63)24-28-15-19-30(54)20-16-28/h15-22,26-27,32-39,54-56H,7-14,23-25,48H2,1-6H3,(H,49,57)(H,50,58)(H,62,63)/t32-,33-,34-,35-,37-,38-,39-/m0/s1
+CH$LINK: PUBCHEM CID:11766324
+CH$LINK: INCHIKEY IPQXHBHVRZYMAN-RATCGQHHSA-N
+CH$LINK: CHEMSPIDER 9941013
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 96-961
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.362 min
+MS$FOCUSED_ION: BASE_PEAK 132.9582
+MS$FOCUSED_ION: PRECURSOR_M/Z 921.429
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0udi-0901000000-c570afa9bafe286c9825
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  132.102 C6H14NO2+ 2 132.1019 0.81
+  150.0914 C9H12NO+ 2 150.0913 0.17
+  196.0653 C8H16Cl2N+ 3 196.0654 -0.69
+  206.0808 C3H16Cl2N6+ 5 206.0808 -0.22
+  335.1287 C15H25Cl2N2O2+ 8 335.1288 -0.18
+  502.2252 C27H35ClN2O5+ 12 502.2229 4.56
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  132.102 170456.9 401
+  150.0914 423745.5 999
+  196.0653 65232.8 153
+  206.0808 55927 131
+  335.1287 96093.4 226
+  502.2252 31146.8 73
+//
diff --git a/Eawag/MSBNK-EAWAG-ED224104.txt b/Eawag/MSBNK-EAWAG-ED224104.txt
new file mode 100644
index 0000000000..5294d2b716
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED224104.txt
@@ -0,0 +1,67 @@
+ACCESSION: MSBNK-EAWAG-ED224104
+RECORD_TITLE: Microginin 299B; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.21577/0100-4042.20170640
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2241
+CH$NAME: Microginin 299B
+CH$NAME: (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-3-amino-10,10-dichloro-2-hydroxydecanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C45H66Cl2N6O10
+CH$EXACT_MASS: 920.4217477
+CH$SMILES: CC(C)[C@@H](C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)[C@@H](CC1=CC=C(C=C1)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)O)NC(=O)[C@H]([C@H](CCCCCCC(Cl)Cl)N)O
+CH$IUPAC: InChI=1S/C45H66Cl2N6O10/c1-26(2)37(50-41(58)39(56)32(48)12-9-7-8-10-14-36(46)47)43(60)52(6)38(27(3)4)44(61)51(5)35(25-29-17-21-31(55)22-18-29)42(59)53-23-11-13-34(53)40(57)49-33(45(62)63)24-28-15-19-30(54)20-16-28/h15-22,26-27,32-39,54-56H,7-14,23-25,48H2,1-6H3,(H,49,57)(H,50,58)(H,62,63)/t32-,33-,34-,35-,37-,38-,39-/m0/s1
+CH$LINK: PUBCHEM CID:11766324
+CH$LINK: INCHIKEY IPQXHBHVRZYMAN-RATCGQHHSA-N
+CH$LINK: CHEMSPIDER 9941013
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 96-961
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.362 min
+MS$FOCUSED_ION: BASE_PEAK 132.9582
+MS$FOCUSED_ION: PRECURSOR_M/Z 921.429
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0ue9-0900200000-fcc87c8df97487c002ff
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  132.1018 C6H14NO2+ 2 132.1019 -0.47
+  150.0914 C9H12NO+ 2 150.0913 0.17
+  178.086 C7H15ClN2O+ 3 178.0867 -3.99
+  195.1126 C10H15N2O2+ 4 195.1128 -1.18
+  196.0651 C8H16Cl2N+ 3 196.0654 -1.78
+  196.1324 C11H18NO2+ 4 196.1332 -4.17
+  236.06 C2H12N4O9+ 4 236.0599 0.49
+  271.1649 C6H33Cl2O6+ 7 271.1649 -0.07
+  307.1344 C8H23N2O10+ 9 307.1347 -1.19
+  403.1547 C22H26ClNO4+ 10 403.1545 0.46
+  466.2236 C21H38Cl2N3O4+ 10 466.2234 0.38
+  530.2183 C25H38Cl2N3O5+ 12 530.2183 0.06
+PK$NUM_PEAK: 12
+PK$PEAK: m/z int. rel.int.
+  132.1018 197691.7 485
+  150.0914 407066.5 999
+  178.086 41028.3 100
+  195.1126 86509 212
+  196.0651 174459.2 428
+  196.1324 13873.8 34
+  236.06 15669.2 38
+  271.1649 34020.7 83
+  307.1344 28142.3 69
+  403.1547 120679.9 296
+  466.2236 182154.2 447
+  530.2183 95638.8 234
+//
diff --git a/Eawag/MSBNK-EAWAG-ED224105.txt b/Eawag/MSBNK-EAWAG-ED224105.txt
new file mode 100644
index 0000000000..ba05b30f4a
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED224105.txt
@@ -0,0 +1,65 @@
+ACCESSION: MSBNK-EAWAG-ED224105
+RECORD_TITLE: Microginin 299B; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.21577/0100-4042.20170640
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2241
+CH$NAME: Microginin 299B
+CH$NAME: (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-3-amino-10,10-dichloro-2-hydroxydecanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C45H66Cl2N6O10
+CH$EXACT_MASS: 920.4217477
+CH$SMILES: CC(C)[C@@H](C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)[C@@H](CC1=CC=C(C=C1)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)O)NC(=O)[C@H]([C@H](CCCCCCC(Cl)Cl)N)O
+CH$IUPAC: InChI=1S/C45H66Cl2N6O10/c1-26(2)37(50-41(58)39(56)32(48)12-9-7-8-10-14-36(46)47)43(60)52(6)38(27(3)4)44(61)51(5)35(25-29-17-21-31(55)22-18-29)42(59)53-23-11-13-34(53)40(57)49-33(45(62)63)24-28-15-19-30(54)20-16-28/h15-22,26-27,32-39,54-56H,7-14,23-25,48H2,1-6H3,(H,49,57)(H,50,58)(H,62,63)/t32-,33-,34-,35-,37-,38-,39-/m0/s1
+CH$LINK: PUBCHEM CID:11766324
+CH$LINK: INCHIKEY IPQXHBHVRZYMAN-RATCGQHHSA-N
+CH$LINK: CHEMSPIDER 9941013
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 96-961
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.362 min
+MS$FOCUSED_ION: BASE_PEAK 132.9582
+MS$FOCUSED_ION: PRECURSOR_M/Z 921.429
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0udj-0900000000-c76c19ac055832f93d21
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  114.0916 C3H15ClN2+ 2 114.0918 -2.23
+  130.0865 C3H15ClN2O+ 2 130.0867 -2.24
+  132.102 C6H14NO2+ 2 132.1019 0.57
+  150.0914 C9H12NO+ 2 150.0913 0.27
+  160.0892 C8H15ClN+ 1 160.0888 3.09
+  195.1129 C10H15N2O2+ 5 195.1128 0.31
+  196.0652 C8H16Cl2N+ 3 196.0654 -1.24
+  236.0599 C2H12N4O9+ 4 236.0599 -0.03
+  325.1442 C5H28ClN3O10+ 8 325.1458 -4.75
+  335.1287 C15H25Cl2N2O2+ 8 335.1288 -0.09
+  403.1558 C23H22ClN5+ 11 403.1558 -0.06
+PK$NUM_PEAK: 11
+PK$PEAK: m/z int. rel.int.
+  114.0916 16065 37
+  130.0865 20221.8 47
+  132.102 86602.6 204
+  150.0914 422711.8 999
+  160.0892 46707.8 110
+  195.1129 48742.8 115
+  196.0652 381250.8 901
+  236.0599 17317.5 40
+  325.1442 15583.3 36
+  335.1287 29107.6 68
+  403.1558 94122.5 222
+//
diff --git a/Eawag/MSBNK-EAWAG-ED224106.txt b/Eawag/MSBNK-EAWAG-ED224106.txt
new file mode 100644
index 0000000000..7efc893cb0
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED224106.txt
@@ -0,0 +1,65 @@
+ACCESSION: MSBNK-EAWAG-ED224106
+RECORD_TITLE: Microginin 299B; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.21577/0100-4042.20170640
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2241
+CH$NAME: Microginin 299B
+CH$NAME: (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-3-amino-10,10-dichloro-2-hydroxydecanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C45H66Cl2N6O10
+CH$EXACT_MASS: 920.4217477
+CH$SMILES: CC(C)[C@@H](C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)[C@@H](CC1=CC=C(C=C1)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)O)NC(=O)[C@H]([C@H](CCCCCCC(Cl)Cl)N)O
+CH$IUPAC: InChI=1S/C45H66Cl2N6O10/c1-26(2)37(50-41(58)39(56)32(48)12-9-7-8-10-14-36(46)47)43(60)52(6)38(27(3)4)44(61)51(5)35(25-29-17-21-31(55)22-18-29)42(59)53-23-11-13-34(53)40(57)49-33(45(62)63)24-28-15-19-30(54)20-16-28/h15-22,26-27,32-39,54-56H,7-14,23-25,48H2,1-6H3,(H,49,57)(H,50,58)(H,62,63)/t32-,33-,34-,35-,37-,38-,39-/m0/s1
+CH$LINK: PUBCHEM CID:11766324
+CH$LINK: INCHIKEY IPQXHBHVRZYMAN-RATCGQHHSA-N
+CH$LINK: CHEMSPIDER 9941013
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 96-961
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.362 min
+MS$FOCUSED_ION: BASE_PEAK 132.9582
+MS$FOCUSED_ION: PRECURSOR_M/Z 921.429
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0udj-0900000000-cbaedb684b64d7c9a0ba
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  114.0918 C3H15ClN2+ 2 114.0918 -0.63
+  121.0646 C8H9O+ 1 121.0648 -1.43
+  130.0865 C3H15ClN2O+ 2 130.0867 -2.12
+  132.1014 C6H14NO2+ 2 132.1019 -3.47
+  135.0682 C5H12ClN2+ 2 135.0684 -1.41
+  150.0913 C9H12NO+ 2 150.0913 -0.14
+  160.0887 C8H15ClN+ 2 160.0888 -0.15
+  178.0863 C7H15ClN2O+ 2 178.0867 -2.27
+  196.0652 C8H16Cl2N+ 3 196.0654 -1
+  260.1281 C10H19ClN5O+ 6 260.1273 3.34
+  403.1545 C22H26ClNO4+ 9 403.1545 0
+PK$NUM_PEAK: 11
+PK$PEAK: m/z int. rel.int.
+  114.0918 19852.5 47
+  121.0646 18329.4 43
+  130.0865 45465 108
+  132.1014 49229.3 117
+  135.0682 10376.5 24
+  150.0913 418655.7 999
+  160.0887 163121.7 389
+  178.0863 23802.6 56
+  196.0652 377559 900
+  260.1281 31523.6 75
+  403.1545 13773.8 32
+//
diff --git a/Eawag/MSBNK-EAWAG-ED224107.txt b/Eawag/MSBNK-EAWAG-ED224107.txt
new file mode 100644
index 0000000000..0d96636df9
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED224107.txt
@@ -0,0 +1,61 @@
+ACCESSION: MSBNK-EAWAG-ED224107
+RECORD_TITLE: Microginin 299B; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.21577/0100-4042.20170640
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2241
+CH$NAME: Microginin 299B
+CH$NAME: (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-3-amino-10,10-dichloro-2-hydroxydecanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C45H66Cl2N6O10
+CH$EXACT_MASS: 920.4217477
+CH$SMILES: CC(C)[C@@H](C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)[C@@H](CC1=CC=C(C=C1)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)O)NC(=O)[C@H]([C@H](CCCCCCC(Cl)Cl)N)O
+CH$IUPAC: InChI=1S/C45H66Cl2N6O10/c1-26(2)37(50-41(58)39(56)32(48)12-9-7-8-10-14-36(46)47)43(60)52(6)38(27(3)4)44(61)51(5)35(25-29-17-21-31(55)22-18-29)42(59)53-23-11-13-34(53)40(57)49-33(45(62)63)24-28-15-19-30(54)20-16-28/h15-22,26-27,32-39,54-56H,7-14,23-25,48H2,1-6H3,(H,49,57)(H,50,58)(H,62,63)/t32-,33-,34-,35-,37-,38-,39-/m0/s1
+CH$LINK: PUBCHEM CID:11766324
+CH$LINK: INCHIKEY IPQXHBHVRZYMAN-RATCGQHHSA-N
+CH$LINK: CHEMSPIDER 9941013
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 96-961
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.362 min
+MS$FOCUSED_ION: BASE_PEAK 132.9582
+MS$FOCUSED_ION: PRECURSOR_M/Z 921.429
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0w2a-0900000000-22aee6f204ccc1971ae9
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  107.0858 C8H11+ 1 107.0855 2.28
+  114.0916 C3H15ClN2+ 2 114.0918 -1.97
+  119.0496 C5H10ClN+ 2 119.0496 -0.53
+  130.0866 C3H15ClN2O+ 2 130.0867 -1.3
+  132.1017 C6H14NO2+ 1 132.1019 -1.39
+  135.0684 C5H12ClN2+ 2 135.0684 0.62
+  150.0913 C9H12NO+ 2 150.0913 -0.14
+  160.0888 C8H15ClN+ 2 160.0888 0.13
+  196.0654 C8H16Cl2N+ 4 196.0654 -0.38
+PK$NUM_PEAK: 9
+PK$PEAK: m/z int. rel.int.
+  107.0858 20587.4 58
+  114.0916 21649 61
+  119.0496 16749.8 47
+  130.0866 29199.8 83
+  132.1017 12945.4 36
+  135.0684 19361.7 55
+  150.0913 350072 999
+  160.0888 292631.8 835
+  196.0654 212276.5 605
+//
diff --git a/Eawag/MSBNK-EAWAG-ED224108.txt b/Eawag/MSBNK-EAWAG-ED224108.txt
new file mode 100644
index 0000000000..f573af7601
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED224108.txt
@@ -0,0 +1,63 @@
+ACCESSION: MSBNK-EAWAG-ED224108
+RECORD_TITLE: Microginin 299B; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.21577/0100-4042.20170640
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2241
+CH$NAME: Microginin 299B
+CH$NAME: (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-3-amino-10,10-dichloro-2-hydroxydecanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C45H66Cl2N6O10
+CH$EXACT_MASS: 920.4217477
+CH$SMILES: CC(C)[C@@H](C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)[C@@H](CC1=CC=C(C=C1)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)O)NC(=O)[C@H]([C@H](CCCCCCC(Cl)Cl)N)O
+CH$IUPAC: InChI=1S/C45H66Cl2N6O10/c1-26(2)37(50-41(58)39(56)32(48)12-9-7-8-10-14-36(46)47)43(60)52(6)38(27(3)4)44(61)51(5)35(25-29-17-21-31(55)22-18-29)42(59)53-23-11-13-34(53)40(57)49-33(45(62)63)24-28-15-19-30(54)20-16-28/h15-22,26-27,32-39,54-56H,7-14,23-25,48H2,1-6H3,(H,49,57)(H,50,58)(H,62,63)/t32-,33-,34-,35-,37-,38-,39-/m0/s1
+CH$LINK: PUBCHEM CID:11766324
+CH$LINK: INCHIKEY IPQXHBHVRZYMAN-RATCGQHHSA-N
+CH$LINK: CHEMSPIDER 9941013
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 96-961
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.362 min
+MS$FOCUSED_ION: BASE_PEAK 132.9582
+MS$FOCUSED_ION: PRECURSOR_M/Z 921.429
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0ik9-0900000000-ae73a7a5d5caca635d1b
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  107.0494 C7H7O+ 2 107.0491 2.14
+  107.0858 C8H11+ 1 107.0855 2.13
+  114.0915 C3H15ClN2+ 2 114.0918 -2.84
+  119.0494 C5H10ClN+ 2 119.0496 -2
+  121.0645 C8H9O+ 1 121.0648 -2
+  130.0867 C3H15ClN2O+ 3 130.0867 -0.59
+  135.0679 C8H9NO+ 2 135.0679 0.61
+  150.0912 C9H12NO+ 2 150.0913 -0.65
+  160.0888 C8H15ClN+ 2 160.0888 0.04
+  196.0648 C8H16Cl2N+ 3 196.0654 -3.26
+PK$NUM_PEAK: 10
+PK$PEAK: m/z int. rel.int.
+  107.0494 20219 72
+  107.0858 24304.2 86
+  114.0915 13842.4 49
+  119.0494 19993.7 71
+  121.0645 40728 145
+  130.0867 18838.1 67
+  135.0679 24198 86
+  150.0912 221691.8 791
+  160.0888 279871.8 999
+  196.0648 65996.8 235
+//
diff --git a/Eawag/MSBNK-EAWAG-ED224109.txt b/Eawag/MSBNK-EAWAG-ED224109.txt
new file mode 100644
index 0000000000..d0146bf063
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED224109.txt
@@ -0,0 +1,59 @@
+ACCESSION: MSBNK-EAWAG-ED224109
+RECORD_TITLE: Microginin 299B; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.21577/0100-4042.20170640
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2241
+CH$NAME: Microginin 299B
+CH$NAME: (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-3-amino-10,10-dichloro-2-hydroxydecanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C45H66Cl2N6O10
+CH$EXACT_MASS: 920.4217477
+CH$SMILES: CC(C)[C@@H](C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)[C@@H](CC1=CC=C(C=C1)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)O)NC(=O)[C@H]([C@H](CCCCCCC(Cl)Cl)N)O
+CH$IUPAC: InChI=1S/C45H66Cl2N6O10/c1-26(2)37(50-41(58)39(56)32(48)12-9-7-8-10-14-36(46)47)43(60)52(6)38(27(3)4)44(61)51(5)35(25-29-17-21-31(55)22-18-29)42(59)53-23-11-13-34(53)40(57)49-33(45(62)63)24-28-15-19-30(54)20-16-28/h15-22,26-27,32-39,54-56H,7-14,23-25,48H2,1-6H3,(H,49,57)(H,50,58)(H,62,63)/t32-,33-,34-,35-,37-,38-,39-/m0/s1
+CH$LINK: PUBCHEM CID:11766324
+CH$LINK: INCHIKEY IPQXHBHVRZYMAN-RATCGQHHSA-N
+CH$LINK: CHEMSPIDER 9941013
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 96-961
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.362 min
+MS$FOCUSED_ION: BASE_PEAK 132.9582
+MS$FOCUSED_ION: PRECURSOR_M/Z 921.429
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0ik9-0900000000-b55ffbfeb0e4db2216e1
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  107.0493 C7H7O+ 2 107.0491 1.57
+  107.0856 C8H11+ 1 107.0855 0.71
+  119.0495 C5H10ClN+ 2 119.0496 -1.49
+  121.0647 C8H9O+ 2 121.0648 -0.87
+  135.0677 C8H9NO+ 2 135.0679 -1.19
+  150.0912 C9H12NO+ 2 150.0913 -1.05
+  160.0888 C8H15ClN+ 2 160.0888 0.13
+  196.0664 C8H16Cl2N+ 2 196.0654 4.76
+PK$NUM_PEAK: 8
+PK$PEAK: m/z int. rel.int.
+  107.0493 25465.8 159
+  107.0856 37143.7 232
+  119.0495 17356.4 108
+  121.0647 40265.6 252
+  135.0677 43402.7 271
+  150.0912 125902.6 788
+  160.0888 159479.7 999
+  196.0664 14782.1 92
+//
diff --git a/Eawag/MSBNK-EAWAG-ED224151.txt b/Eawag/MSBNK-EAWAG-ED224151.txt
new file mode 100644
index 0000000000..e6962f8945
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED224151.txt
@@ -0,0 +1,45 @@
+ACCESSION: MSBNK-EAWAG-ED224151
+RECORD_TITLE: Microginin 299B; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.21577/0100-4042.20170640
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2241
+CH$NAME: Microginin 299B
+CH$NAME: (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-3-amino-10,10-dichloro-2-hydroxydecanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C45H66Cl2N6O10
+CH$EXACT_MASS: 920.4217477
+CH$SMILES: CC(C)[C@@H](C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)[C@@H](CC1=CC=C(C=C1)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)O)NC(=O)[C@H]([C@H](CCCCCCC(Cl)Cl)N)O
+CH$IUPAC: InChI=1S/C45H66Cl2N6O10/c1-26(2)37(50-41(58)39(56)32(48)12-9-7-8-10-14-36(46)47)43(60)52(6)38(27(3)4)44(61)51(5)35(25-29-17-21-31(55)22-18-29)42(59)53-23-11-13-34(53)40(57)49-33(45(62)63)24-28-15-19-30(54)20-16-28/h15-22,26-27,32-39,54-56H,7-14,23-25,48H2,1-6H3,(H,49,57)(H,50,58)(H,62,63)/t32-,33-,34-,35-,37-,38-,39-/m0/s1
+CH$LINK: PUBCHEM CID:11766324
+CH$LINK: INCHIKEY IPQXHBHVRZYMAN-RATCGQHHSA-N
+CH$LINK: CHEMSPIDER 9941013
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 95-959
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.348 min
+MS$FOCUSED_ION: BASE_PEAK 197.8072
+MS$FOCUSED_ION: PRECURSOR_M/Z 919.4145
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-014i-0000000009-e29423e909043622589b
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  919.4142 C45H65Cl2N6O10- 1 919.4145 -0.35
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  919.4142 3663487 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED224152.txt b/Eawag/MSBNK-EAWAG-ED224152.txt
new file mode 100644
index 0000000000..61f0b52db2
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED224152.txt
@@ -0,0 +1,47 @@
+ACCESSION: MSBNK-EAWAG-ED224152
+RECORD_TITLE: Microginin 299B; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.21577/0100-4042.20170640
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2241
+CH$NAME: Microginin 299B
+CH$NAME: (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-3-amino-10,10-dichloro-2-hydroxydecanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C45H66Cl2N6O10
+CH$EXACT_MASS: 920.4217477
+CH$SMILES: CC(C)[C@@H](C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)[C@@H](CC1=CC=C(C=C1)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)O)NC(=O)[C@H]([C@H](CCCCCCC(Cl)Cl)N)O
+CH$IUPAC: InChI=1S/C45H66Cl2N6O10/c1-26(2)37(50-41(58)39(56)32(48)12-9-7-8-10-14-36(46)47)43(60)52(6)38(27(3)4)44(61)51(5)35(25-29-17-21-31(55)22-18-29)42(59)53-23-11-13-34(53)40(57)49-33(45(62)63)24-28-15-19-30(54)20-16-28/h15-22,26-27,32-39,54-56H,7-14,23-25,48H2,1-6H3,(H,49,57)(H,50,58)(H,62,63)/t32-,33-,34-,35-,37-,38-,39-/m0/s1
+CH$LINK: PUBCHEM CID:11766324
+CH$LINK: INCHIKEY IPQXHBHVRZYMAN-RATCGQHHSA-N
+CH$LINK: CHEMSPIDER 9941013
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 95-959
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.348 min
+MS$FOCUSED_ION: BASE_PEAK 197.8072
+MS$FOCUSED_ION: PRECURSOR_M/Z 919.4145
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-014i-0000000009-c4480f7e78c3534ffb96
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  883.4352 C45H64ClN6O10- 1 883.4378 -2.97
+  919.4136 C45H65Cl2N6O10- 1 919.4145 -0.94
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  883.4352 117504 39
+  919.4136 2950939 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED224153.txt b/Eawag/MSBNK-EAWAG-ED224153.txt
new file mode 100644
index 0000000000..bfe536481a
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED224153.txt
@@ -0,0 +1,49 @@
+ACCESSION: MSBNK-EAWAG-ED224153
+RECORD_TITLE: Microginin 299B; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.21577/0100-4042.20170640
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2241
+CH$NAME: Microginin 299B
+CH$NAME: (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-3-amino-10,10-dichloro-2-hydroxydecanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C45H66Cl2N6O10
+CH$EXACT_MASS: 920.4217477
+CH$SMILES: CC(C)[C@@H](C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)[C@@H](CC1=CC=C(C=C1)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)O)NC(=O)[C@H]([C@H](CCCCCCC(Cl)Cl)N)O
+CH$IUPAC: InChI=1S/C45H66Cl2N6O10/c1-26(2)37(50-41(58)39(56)32(48)12-9-7-8-10-14-36(46)47)43(60)52(6)38(27(3)4)44(61)51(5)35(25-29-17-21-31(55)22-18-29)42(59)53-23-11-13-34(53)40(57)49-33(45(62)63)24-28-15-19-30(54)20-16-28/h15-22,26-27,32-39,54-56H,7-14,23-25,48H2,1-6H3,(H,49,57)(H,50,58)(H,62,63)/t32-,33-,34-,35-,37-,38-,39-/m0/s1
+CH$LINK: PUBCHEM CID:11766324
+CH$LINK: INCHIKEY IPQXHBHVRZYMAN-RATCGQHHSA-N
+CH$LINK: CHEMSPIDER 9941013
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 95-959
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.348 min
+MS$FOCUSED_ION: BASE_PEAK 197.8072
+MS$FOCUSED_ION: PRECURSOR_M/Z 919.4145
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-014i-0000000019-d5aeaf4ce53d74e71607
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  277.1185 C9H18ClN6O2- 6 277.1185 -0.17
+  883.4372 C45H64ClN6O10- 1 883.4378 -0.69
+  919.4137 C45H65Cl2N6O10- 1 919.4145 -0.81
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  277.1185 162519.5 68
+  883.4372 411619.6 174
+  919.4137 2361934.8 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED224154.txt b/Eawag/MSBNK-EAWAG-ED224154.txt
new file mode 100644
index 0000000000..57f4efde02
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED224154.txt
@@ -0,0 +1,57 @@
+ACCESSION: MSBNK-EAWAG-ED224154
+RECORD_TITLE: Microginin 299B; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.21577/0100-4042.20170640
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2241
+CH$NAME: Microginin 299B
+CH$NAME: (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-3-amino-10,10-dichloro-2-hydroxydecanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C45H66Cl2N6O10
+CH$EXACT_MASS: 920.4217477
+CH$SMILES: CC(C)[C@@H](C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)[C@@H](CC1=CC=C(C=C1)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)O)NC(=O)[C@H]([C@H](CCCCCCC(Cl)Cl)N)O
+CH$IUPAC: InChI=1S/C45H66Cl2N6O10/c1-26(2)37(50-41(58)39(56)32(48)12-9-7-8-10-14-36(46)47)43(60)52(6)38(27(3)4)44(61)51(5)35(25-29-17-21-31(55)22-18-29)42(59)53-23-11-13-34(53)40(57)49-33(45(62)63)24-28-15-19-30(54)20-16-28/h15-22,26-27,32-39,54-56H,7-14,23-25,48H2,1-6H3,(H,49,57)(H,50,58)(H,62,63)/t32-,33-,34-,35-,37-,38-,39-/m0/s1
+CH$LINK: PUBCHEM CID:11766324
+CH$LINK: INCHIKEY IPQXHBHVRZYMAN-RATCGQHHSA-N
+CH$LINK: CHEMSPIDER 9941013
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 95-959
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.348 min
+MS$FOCUSED_ION: BASE_PEAK 197.8072
+MS$FOCUSED_ION: PRECURSOR_M/Z 919.4145
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-017i-0150100049-74efdbb1e73f59ae41a6
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  119.0503 C8H7O- 2 119.0502 0.32
+  145.0293 C9H5O2- 3 145.0295 -1.63
+  180.0661 C9H10NO3- 4 180.0666 -3.13
+  277.1185 C9H18ClN6O2- 7 277.1185 -0.06
+  423.1549 C21H21N5O5- 9 423.1548 0.21
+  883.4365 C45H64ClN6O10- 1 883.4378 -1.45
+  919.4134 C45H65Cl2N6O10- 1 919.4145 -1.14
+PK$NUM_PEAK: 7
+PK$PEAK: m/z int. rel.int.
+  119.0503 36464 43
+  145.0293 44973.3 53
+  180.0661 16160.3 19
+  277.1185 494751.3 586
+  423.1549 121824.9 144
+  883.4365 450751 534
+  919.4134 842763.3 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED224155.txt b/Eawag/MSBNK-EAWAG-ED224155.txt
new file mode 100644
index 0000000000..729cf804e6
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED224155.txt
@@ -0,0 +1,69 @@
+ACCESSION: MSBNK-EAWAG-ED224155
+RECORD_TITLE: Microginin 299B; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.21577/0100-4042.20170640
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2241
+CH$NAME: Microginin 299B
+CH$NAME: (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-3-amino-10,10-dichloro-2-hydroxydecanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C45H66Cl2N6O10
+CH$EXACT_MASS: 920.4217477
+CH$SMILES: CC(C)[C@@H](C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)[C@@H](CC1=CC=C(C=C1)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)O)NC(=O)[C@H]([C@H](CCCCCCC(Cl)Cl)N)O
+CH$IUPAC: InChI=1S/C45H66Cl2N6O10/c1-26(2)37(50-41(58)39(56)32(48)12-9-7-8-10-14-36(46)47)43(60)52(6)38(27(3)4)44(61)51(5)35(25-29-17-21-31(55)22-18-29)42(59)53-23-11-13-34(53)40(57)49-33(45(62)63)24-28-15-19-30(54)20-16-28/h15-22,26-27,32-39,54-56H,7-14,23-25,48H2,1-6H3,(H,49,57)(H,50,58)(H,62,63)/t32-,33-,34-,35-,37-,38-,39-/m0/s1
+CH$LINK: PUBCHEM CID:11766324
+CH$LINK: INCHIKEY IPQXHBHVRZYMAN-RATCGQHHSA-N
+CH$LINK: CHEMSPIDER 9941013
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 95-959
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.348 min
+MS$FOCUSED_ION: BASE_PEAK 197.8072
+MS$FOCUSED_ION: PRECURSOR_M/Z 919.4145
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-004i-0590000000-973e4913df68641d28af
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  113.0718 C5H9N2O- 1 113.072 -2.09
+  119.05 C8H7O- 1 119.0502 -2.05
+  126.0563 C6H8NO2- 2 126.0561 2.17
+  129.1033 C6H13N2O- 2 129.1033 -0.23
+  143.119 Cl2H25O3- 3 143.1186 2.45
+  145.0294 C9H5O2- 2 145.0295 -0.89
+  163.0399 CH11Cl2N5- 4 163.0397 1.17
+  171.0771 Cl2H21O5- 3 171.0772 -0.04
+  211.1444 C6H20ClN6- 5 211.1443 0.41
+  233.1287 C8H18ClN6- 5 233.1287 -0.05
+  242.1866 C8H31ClO5- 5 242.1866 0.36
+  277.1186 C9H18ClN6O2- 6 277.1185 0.27
+  423.1548 C21H21N5O5- 9 423.1548 -0.08
+PK$NUM_PEAK: 13
+PK$PEAK: m/z int. rel.int.
+  113.0718 59192.1 99
+  119.05 194545.9 327
+  126.0563 13901.8 23
+  129.1033 20435.7 34
+  143.119 20210.6 33
+  145.0294 82057.2 138
+  163.0399 32068.4 53
+  171.0771 67204.2 113
+  211.1444 24123.2 40
+  233.1287 83948 141
+  242.1866 36119.5 60
+  277.1186 594009.1 999
+  423.1548 8115.8 13
+//
diff --git a/Eawag/MSBNK-EAWAG-ED224201.txt b/Eawag/MSBNK-EAWAG-ED224201.txt
new file mode 100644
index 0000000000..2d0a37d1b9
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED224201.txt
@@ -0,0 +1,50 @@
+ACCESSION: MSBNK-EAWAG-ED224201
+RECORD_TITLE: Microginin 299C; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.21577/0100-4042.20170640
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2242
+CH$NAME: Microginin 299C
+CH$NAME: (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-3-amino-2-hydroxydecanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C45H68N6O10
+CH$EXACT_MASS: 852.4996924
+CH$SMILES: CCCCCCC[C@@H]([C@@H](C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)[C@@H](CC1=CC=C(C=C1)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)O)O)N
+CH$IUPAC: InChI=1S/C45H68N6O10/c1-8-9-10-11-12-14-33(46)39(54)41(56)48-37(27(2)3)43(58)50(7)38(28(4)5)44(59)49(6)36(26-30-18-22-32(53)23-19-30)42(57)51-24-13-15-35(51)40(55)47-34(45(60)61)25-29-16-20-31(52)21-17-29/h16-23,27-28,33-39,52-54H,8-15,24-26,46H2,1-7H3,(H,47,55)(H,48,56)(H,60,61)/t33-,34-,35-,36-,37-,38-,39-/m0/s1
+CH$LINK: PUBCHEM CID:10463277
+CH$LINK: INCHIKEY DTXKFCMLEVLURZ-ZTYVOHGWSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 89-892
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.331 min
+MS$FOCUSED_ION: BASE_PEAK 853.5071
+MS$FOCUSED_ION: PRECURSOR_M/Z 853.507
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-004j-0008190000-89947fe4eb59be6883c9
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  132.1017 C6H14NO2+ 1 132.1019 -1.85
+  398.3014 C21H40N3O4+ 3 398.3013 0.29
+  456.2134 C24H30N3O6+ 4 456.2129 1.06
+  575.3811 C33H53NO7+ 4 575.3817 -1
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  132.1017 520209 11
+  398.3014 42691972 924
+  456.2134 5530567 119
+  575.3811 46154628 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED224202.txt b/Eawag/MSBNK-EAWAG-ED224202.txt
new file mode 100644
index 0000000000..9aa9e752cc
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED224202.txt
@@ -0,0 +1,62 @@
+ACCESSION: MSBNK-EAWAG-ED224202
+RECORD_TITLE: Microginin 299C; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.21577/0100-4042.20170640
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2242
+CH$NAME: Microginin 299C
+CH$NAME: (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-3-amino-2-hydroxydecanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C45H68N6O10
+CH$EXACT_MASS: 852.4996924
+CH$SMILES: CCCCCCC[C@@H]([C@@H](C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)[C@@H](CC1=CC=C(C=C1)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)O)O)N
+CH$IUPAC: InChI=1S/C45H68N6O10/c1-8-9-10-11-12-14-33(46)39(54)41(56)48-37(27(2)3)43(58)50(7)38(28(4)5)44(59)49(6)36(26-30-18-22-32(53)23-19-30)42(57)51-24-13-15-35(51)40(55)47-34(45(60)61)25-29-16-20-31(52)21-17-29/h16-23,27-28,33-39,52-54H,8-15,24-26,46H2,1-7H3,(H,47,55)(H,48,56)(H,60,61)/t33-,34-,35-,36-,37-,38-,39-/m0/s1
+CH$LINK: PUBCHEM CID:10463277
+CH$LINK: INCHIKEY DTXKFCMLEVLURZ-ZTYVOHGWSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 89-892
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.331 min
+MS$FOCUSED_ION: BASE_PEAK 853.5071
+MS$FOCUSED_ION: PRECURSOR_M/Z 853.507
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0002-0109100000-1936474be96ac802210f
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  132.1019 C6H14NO2+ 1 132.1019 0.11
+  150.0914 C9H12NO+ 1 150.0913 0.27
+  206.0811 C11H12NO3+ 1 206.0812 -0.45
+  267.2061 C15H27N2O2+ 2 267.2067 -2.39
+  271.1646 C13H23N2O4+ 2 271.1652 -2.42
+  291.1702 C16H23N2O3+ 2 291.1703 -0.35
+  335.2326 C19H31N2O3+ 2 335.2329 -0.92
+  398.3013 C21H40N3O4+ 3 398.3013 -0.17
+  456.2133 C24H30N3O6+ 4 456.2129 0.92
+  462.2967 C25H40N3O5+ 4 462.2962 0.92
+PK$NUM_PEAK: 10
+PK$PEAK: m/z int. rel.int.
+  132.1019 3861277.5 83
+  150.0914 6411372 138
+  206.0811 1147761.1 24
+  267.2061 1963023.2 42
+  271.1646 552762.2 11
+  291.1702 781461.8 16
+  335.2326 797522.8 17
+  398.3013 46136024 999
+  456.2133 4961727.5 107
+  462.2967 2774445.2 60
+//
diff --git a/Eawag/MSBNK-EAWAG-ED224203.txt b/Eawag/MSBNK-EAWAG-ED224203.txt
new file mode 100644
index 0000000000..0409c45348
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED224203.txt
@@ -0,0 +1,88 @@
+ACCESSION: MSBNK-EAWAG-ED224203
+RECORD_TITLE: Microginin 299C; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.21577/0100-4042.20170640
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2242
+CH$NAME: Microginin 299C
+CH$NAME: (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-3-amino-2-hydroxydecanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C45H68N6O10
+CH$EXACT_MASS: 852.4996924
+CH$SMILES: CCCCCCC[C@@H]([C@@H](C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)[C@@H](CC1=CC=C(C=C1)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)O)O)N
+CH$IUPAC: InChI=1S/C45H68N6O10/c1-8-9-10-11-12-14-33(46)39(54)41(56)48-37(27(2)3)43(58)50(7)38(28(4)5)44(59)49(6)36(26-30-18-22-32(53)23-19-30)42(57)51-24-13-15-35(51)40(55)47-34(45(60)61)25-29-16-20-31(52)21-17-29/h16-23,27-28,33-39,52-54H,8-15,24-26,46H2,1-7H3,(H,47,55)(H,48,56)(H,60,61)/t33-,34-,35-,36-,37-,38-,39-/m0/s1
+CH$LINK: PUBCHEM CID:10463277
+CH$LINK: INCHIKEY DTXKFCMLEVLURZ-ZTYVOHGWSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 89-892
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.331 min
+MS$FOCUSED_ION: BASE_PEAK 853.5071
+MS$FOCUSED_ION: PRECURSOR_M/Z 853.507
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0f6t-0839330000-db1e6088caa467a1721f
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  128.1435 C8H18N+ 1 128.1434 0.87
+  131.118 C6H15N2O+ 1 131.1179 0.99
+  132.102 C6H14NO2+ 1 132.1019 0.34
+  150.0914 C9H12NO+ 1 150.0913 0.67
+  158.154 C9H20NO+ 1 158.1539 0.51
+  168.1388 C10H18NO+ 1 168.1383 3.24
+  178.086 C10H12NO2+ 1 178.0863 -1.34
+  195.113 C10H15N2O2+ 1 195.1128 1.17
+  206.081 C11H12NO3+ 1 206.0812 -0.82
+  231.1697 C11H23N2O3+ 2 231.1703 -2.88
+  239.2114 C14H27N2O+ 2 239.2118 -1.53
+  267.2063 C15H27N2O2+ 2 267.2067 -1.59
+  271.1646 C13H23N2O4+ 2 271.1652 -2.31
+  279.1337 C14H19N2O4+ 2 279.1339 -0.84
+  285.2167 C15H29N2O3+ 2 285.2173 -1.88
+  291.1702 C16H23N2O3+ 2 291.1703 -0.56
+  335.2329 C19H31N2O3+ 2 335.2329 -0.01
+  380.2914 C21H38N3O3+ 3 380.2908 1.56
+  398.3015 C21H40N3O4+ 3 398.3013 0.44
+  426.2967 C22H40N3O5+ 3 426.2962 1.09
+  456.2134 C24H30N3O6+ 4 456.2129 1.12
+  462.2966 C25H40N3O5+ 3 462.2962 0.72
+  575.3813 C33H53NO7+ 4 575.3817 -0.68
+PK$NUM_PEAK: 23
+PK$PEAK: m/z int. rel.int.
+  128.1435 2289105.5 92
+  131.118 501306.4 20
+  132.102 8300765 336
+  150.0914 14045864 570
+  158.154 371564.5 15
+  168.1388 298118.6 12
+  178.086 670858.3 27
+  195.113 997869.2 40
+  206.081 2715408.8 110
+  231.1697 523411.3 21
+  239.2114 616631.2 25
+  267.2063 4755533.5 192
+  271.1646 1218287.8 49
+  279.1337 556661.8 22
+  285.2167 1115968.5 45
+  291.1702 612891.9 24
+  335.2329 2756784 111
+  380.2914 1363968.1 55
+  398.3015 24615652 999
+  426.2967 1134443.5 46
+  456.2134 3141122.5 127
+  462.2966 5881515 238
+  575.3813 11253390 456
+//
diff --git a/Eawag/MSBNK-EAWAG-ED224204.txt b/Eawag/MSBNK-EAWAG-ED224204.txt
new file mode 100644
index 0000000000..bf62ed8e09
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED224204.txt
@@ -0,0 +1,106 @@
+ACCESSION: MSBNK-EAWAG-ED224204
+RECORD_TITLE: Microginin 299C; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.21577/0100-4042.20170640
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2242
+CH$NAME: Microginin 299C
+CH$NAME: (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-3-amino-2-hydroxydecanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C45H68N6O10
+CH$EXACT_MASS: 852.4996924
+CH$SMILES: CCCCCCC[C@@H]([C@@H](C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)[C@@H](CC1=CC=C(C=C1)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)O)O)N
+CH$IUPAC: InChI=1S/C45H68N6O10/c1-8-9-10-11-12-14-33(46)39(54)41(56)48-37(27(2)3)43(58)50(7)38(28(4)5)44(59)49(6)36(26-30-18-22-32(53)23-19-30)42(57)51-24-13-15-35(51)40(55)47-34(45(60)61)25-29-16-20-31(52)21-17-29/h16-23,27-28,33-39,52-54H,8-15,24-26,46H2,1-7H3,(H,47,55)(H,48,56)(H,60,61)/t33-,34-,35-,36-,37-,38-,39-/m0/s1
+CH$LINK: PUBCHEM CID:10463277
+CH$LINK: INCHIKEY DTXKFCMLEVLURZ-ZTYVOHGWSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 89-892
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.331 min
+MS$FOCUSED_ION: BASE_PEAK 853.5071
+MS$FOCUSED_ION: PRECURSOR_M/Z 853.507
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0uea-0933100000-c15e9f6d122b5ae2170e
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  114.0916 C6H12NO+ 1 114.0913 1.9
+  128.1434 C8H18N+ 1 128.1434 0.16
+  131.1182 C6H15N2O+ 1 131.1179 2.04
+  132.1019 C6H14NO2+ 1 132.1019 0.11
+  140.1433 C9H18N+ 1 140.1434 -0.43
+  150.0914 C9H12NO+ 1 150.0913 0.37
+  158.1543 C9H20NO+ 1 158.1539 2.05
+  168.1387 C10H18NO+ 1 168.1383 2.43
+  178.0862 C10H12NO2+ 1 178.0863 -0.05
+  195.1127 C10H15N2O2+ 1 195.1128 -0.55
+  196.1329 C11H18NO2+ 1 196.1332 -1.52
+  206.0808 C11H12NO3+ 2 206.0812 -1.56
+  231.17 C11H23N2O3+ 2 231.1703 -1.56
+  239.2114 C14H27N2O+ 2 239.2118 -1.73
+  240.195 C14H26NO2+ 2 240.1958 -3.23
+  241.1545 C12H21N2O3+ 1 241.1547 -0.52
+  257.222 C14H29N2O2+ 2 257.2224 -1.24
+  260.1273 C15H18NO3+ 3 260.1281 -2.99
+  267.2062 C15H27N2O2+ 2 267.2067 -1.71
+  271.1647 C13H23N2O4+ 2 271.1652 -2.08
+  271.2372 C15H31N2O2+ 2 271.238 -2.82
+  279.1334 C14H19N2O4+ 2 279.1339 -1.82
+  285.2172 C15H29N2O3+ 2 285.2173 -0.38
+  299.2319 C16H31N2O3+ 2 299.2329 -3.34
+  335.2327 C19H31N2O3+ 2 335.2329 -0.55
+  363.2257 C18H29N5O3+ 2 363.2265 -2.31
+  380.2909 C21H38N3O3+ 4 380.2908 0.28
+  398.3014 C21H40N3O4+ 3 398.3013 0.29
+  426.2967 C22H40N3O5+ 3 426.2962 1.02
+  434.3019 C24H40N3O4+ 4 434.3013 1.38
+  456.2135 C24H30N3O6+ 4 456.2129 1.19
+  462.2963 C25H40N3O5+ 3 462.2962 0.06
+PK$NUM_PEAK: 32
+PK$PEAK: m/z int. rel.int.
+  114.0916 161986.5 10
+  128.1434 7505099.5 469
+  131.1182 550224.1 34
+  132.1019 9337565 584
+  140.1433 406289.4 25
+  150.0914 15963563 999
+  158.1543 649923.2 40
+  168.1387 810378.9 50
+  178.0862 1501960.8 93
+  195.1127 2760583 172
+  196.1329 780504.7 48
+  206.0808 2455612.8 153
+  231.17 689097.2 43
+  239.2114 1297833 81
+  240.195 206580.7 12
+  241.1545 322691.7 20
+  257.222 324331.1 20
+  260.1273 689658.6 43
+  267.2062 5755446 360
+  271.1647 1713878.2 107
+  271.2372 372305.2 23
+  279.1334 1120219.4 70
+  285.2172 1206068.4 75
+  299.2319 606820.4 37
+  335.2327 4882642 305
+  363.2257 1207662.1 75
+  380.2909 1019695.2 63
+  398.3014 9090575 568
+  426.2967 480368.7 30
+  434.3019 1986421.5 124
+  456.2135 1301083.4 81
+  462.2963 4065007.8 254
+//
diff --git a/Eawag/MSBNK-EAWAG-ED224205.txt b/Eawag/MSBNK-EAWAG-ED224205.txt
new file mode 100644
index 0000000000..5ba9185f70
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED224205.txt
@@ -0,0 +1,92 @@
+ACCESSION: MSBNK-EAWAG-ED224205
+RECORD_TITLE: Microginin 299C; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.21577/0100-4042.20170640
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2242
+CH$NAME: Microginin 299C
+CH$NAME: (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-3-amino-2-hydroxydecanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C45H68N6O10
+CH$EXACT_MASS: 852.4996924
+CH$SMILES: CCCCCCC[C@@H]([C@@H](C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)[C@@H](CC1=CC=C(C=C1)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)O)O)N
+CH$IUPAC: InChI=1S/C45H68N6O10/c1-8-9-10-11-12-14-33(46)39(54)41(56)48-37(27(2)3)43(58)50(7)38(28(4)5)44(59)49(6)36(26-30-18-22-32(53)23-19-30)42(57)51-24-13-15-35(51)40(55)47-34(45(60)61)25-29-16-20-31(52)21-17-29/h16-23,27-28,33-39,52-54H,8-15,24-26,46H2,1-7H3,(H,47,55)(H,48,56)(H,60,61)/t33-,34-,35-,36-,37-,38-,39-/m0/s1
+CH$LINK: PUBCHEM CID:10463277
+CH$LINK: INCHIKEY DTXKFCMLEVLURZ-ZTYVOHGWSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 89-892
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.331 min
+MS$FOCUSED_ION: BASE_PEAK 853.5071
+MS$FOCUSED_ION: PRECURSOR_M/Z 853.507
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0fb9-0910000000-251ff4cdbbfce74d4afd
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  114.0911 C6H12NO+ 1 114.0913 -2.51
+  128.1435 C8H18N+ 1 128.1434 0.76
+  130.0866 C6H12NO2+ 1 130.0863 2.33
+  132.102 C6H14NO2+ 1 132.1019 0.57
+  140.1432 C9H18N+ 1 140.1434 -1.52
+  142.0864 C7H12NO2+ 1 142.0863 0.87
+  150.0915 C9H12NO+ 1 150.0913 0.88
+  158.1541 C9H20NO+ 1 158.1539 0.89
+  168.1382 C10H18NO+ 1 168.1383 -0.57
+  178.0864 C10H12NO2+ 1 178.0863 0.8
+  195.1128 C10H15N2O2+ 1 195.1128 -0.24
+  196.1333 C11H18NO2+ 1 196.1332 0.5
+  206.0817 C11H12NO3+ 1 206.0812 2.73
+  222.1861 H26N6O7+ 3 222.1857 1.61
+  231.1706 C11H23N2O3+ 1 231.1703 1.01
+  239.2119 C14H27N2O+ 1 239.2118 0.32
+  241.155 C12H21N2O3+ 1 241.1547 1.26
+  257.2217 C14H29N2O2+ 2 257.2224 -2.43
+  260.1276 C15H18NO3+ 3 260.1281 -2.17
+  267.2062 C15H27N2O2+ 2 267.2067 -1.82
+  271.1649 C13H23N2O4+ 2 271.1652 -1.4
+  279.1341 C14H19N2O4+ 2 279.1339 0.69
+  335.2331 C19H31N2O3+ 2 335.2329 0.45
+  363.2277 C18H29N5O3+ 3 363.2265 3.24
+  434.3008 C24H40N3O4+ 3 434.3013 -1.15
+PK$NUM_PEAK: 25
+PK$PEAK: m/z int. rel.int.
+  114.0911 609442.1 34
+  128.1435 17561816 993
+  130.0866 607824.5 34
+  132.102 5060402.5 286
+  140.1432 766075.1 43
+  142.0864 256848.4 14
+  150.0915 17666230 999
+  158.1541 677691 38
+  168.1382 1132080.9 64
+  178.0864 2285309 129
+  195.1128 2419187.8 136
+  196.1333 1228618.1 69
+  206.0817 544808.1 30
+  222.1861 253756.5 14
+  231.1706 353584.5 19
+  239.2119 851660 48
+  241.155 244279.8 13
+  257.2217 885644.2 50
+  260.1276 1757444.1 99
+  267.2062 2446149.2 138
+  271.1649 679876 38
+  279.1341 855842.1 48
+  335.2331 4246116 240
+  363.2277 990890.8 56
+  434.3008 643330.9 36
+//
diff --git a/Eawag/MSBNK-EAWAG-ED224206.txt b/Eawag/MSBNK-EAWAG-ED224206.txt
new file mode 100644
index 0000000000..80634a6ce9
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED224206.txt
@@ -0,0 +1,78 @@
+ACCESSION: MSBNK-EAWAG-ED224206
+RECORD_TITLE: Microginin 299C; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.21577/0100-4042.20170640
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2242
+CH$NAME: Microginin 299C
+CH$NAME: (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-3-amino-2-hydroxydecanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C45H68N6O10
+CH$EXACT_MASS: 852.4996924
+CH$SMILES: CCCCCCC[C@@H]([C@@H](C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)[C@@H](CC1=CC=C(C=C1)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)O)O)N
+CH$IUPAC: InChI=1S/C45H68N6O10/c1-8-9-10-11-12-14-33(46)39(54)41(56)48-37(27(2)3)43(58)50(7)38(28(4)5)44(59)49(6)36(26-30-18-22-32(53)23-19-30)42(57)51-24-13-15-35(51)40(55)47-34(45(60)61)25-29-16-20-31(52)21-17-29/h16-23,27-28,33-39,52-54H,8-15,24-26,46H2,1-7H3,(H,47,55)(H,48,56)(H,60,61)/t33-,34-,35-,36-,37-,38-,39-/m0/s1
+CH$LINK: PUBCHEM CID:10463277
+CH$LINK: INCHIKEY DTXKFCMLEVLURZ-ZTYVOHGWSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 89-892
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.331 min
+MS$FOCUSED_ION: BASE_PEAK 853.5071
+MS$FOCUSED_ION: PRECURSOR_M/Z 853.507
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0fb9-0900000000-fe548735447d13643d81
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  91.0542 C7H7+ 1 91.0542 0.16
+  114.0913 C6H12NO+ 1 114.0913 -0.04
+  119.0493 C8H7O+ 1 119.0491 1
+  121.0648 C8H9O+ 1 121.0648 -0.3
+  128.1434 C8H18N+ 1 128.1434 -0.08
+  130.0863 C6H12NO2+ 1 130.0863 0.57
+  132.1019 C6H14NO2+ 1 132.1019 -0.12
+  135.0681 C8H9NO+ 1 135.0679 1.74
+  140.1432 C9H18N+ 1 140.1434 -0.98
+  150.0913 C9H12NO+ 1 150.0913 -0.04
+  158.1541 C9H20NO+ 1 158.1539 1.28
+  168.1381 C10H18NO+ 1 168.1383 -1.2
+  178.0862 C10H12NO2+ 1 178.0863 -0.22
+  195.112 C10H15N2O2+ 2 195.1128 -4.07
+  196.133 C11H18NO2+ 1 196.1332 -0.9
+  222.1855 H26N6O7+ 2 222.1857 -1.07
+  260.1274 C15H18NO3+ 3 260.1281 -2.76
+  335.2331 C19H31N2O3+ 3 335.2329 0.54
+PK$NUM_PEAK: 18
+PK$PEAK: m/z int. rel.int.
+  91.0542 252955.4 11
+  114.0913 1061968.6 47
+  119.0493 260862.8 11
+  121.0648 980968.4 43
+  128.1434 22337270 999
+  130.0863 1324444.4 59
+  132.1019 2368694.5 105
+  135.0681 284932.9 12
+  140.1432 760302.3 34
+  150.0913 19350160 865
+  158.1541 610490.4 27
+  168.1381 1222413.8 54
+  178.0862 1486232.1 66
+  195.112 571882.4 25
+  196.133 1119916.8 50
+  222.1855 242897.1 10
+  260.1274 1561340.4 69
+  335.2331 1162747.6 52
+//
diff --git a/Eawag/MSBNK-EAWAG-ED224207.txt b/Eawag/MSBNK-EAWAG-ED224207.txt
new file mode 100644
index 0000000000..059441defa
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED224207.txt
@@ -0,0 +1,72 @@
+ACCESSION: MSBNK-EAWAG-ED224207
+RECORD_TITLE: Microginin 299C; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.21577/0100-4042.20170640
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2242
+CH$NAME: Microginin 299C
+CH$NAME: (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-3-amino-2-hydroxydecanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C45H68N6O10
+CH$EXACT_MASS: 852.4996924
+CH$SMILES: CCCCCCC[C@@H]([C@@H](C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)[C@@H](CC1=CC=C(C=C1)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)O)O)N
+CH$IUPAC: InChI=1S/C45H68N6O10/c1-8-9-10-11-12-14-33(46)39(54)41(56)48-37(27(2)3)43(58)50(7)38(28(4)5)44(59)49(6)36(26-30-18-22-32(53)23-19-30)42(57)51-24-13-15-35(51)40(55)47-34(45(60)61)25-29-16-20-31(52)21-17-29/h16-23,27-28,33-39,52-54H,8-15,24-26,46H2,1-7H3,(H,47,55)(H,48,56)(H,60,61)/t33-,34-,35-,36-,37-,38-,39-/m0/s1
+CH$LINK: PUBCHEM CID:10463277
+CH$LINK: INCHIKEY DTXKFCMLEVLURZ-ZTYVOHGWSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 89-892
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.331 min
+MS$FOCUSED_ION: BASE_PEAK 853.5071
+MS$FOCUSED_ION: PRECURSOR_M/Z 853.507
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0fb9-0900000000-02b2b4cff2aba6ef66d9
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  91.0545 C7H7+ 1 91.0542 3.09
+  107.0489 C7H7O+ 1 107.0491 -2.63
+  114.0913 C6H12NO+ 1 114.0913 0.03
+  119.0496 C8H7O+ 1 119.0491 3.69
+  121.0648 C8H9O+ 1 121.0648 -0.3
+  128.1434 C8H18N+ 1 128.1434 -0.2
+  130.0863 C6H12NO2+ 1 130.0863 0.22
+  132.1019 C6H14NO2+ 1 132.1019 -0.35
+  135.0678 C8H9NO+ 1 135.0679 -0.29
+  140.1431 C9H18N+ 1 140.1434 -1.63
+  150.0914 C9H12NO+ 1 150.0913 0.06
+  168.1382 C10H18NO+ 1 168.1383 -0.75
+  178.0866 C10H12NO2+ 1 178.0863 1.66
+  196.1331 C11H18NO2+ 1 196.1332 -0.51
+  260.1282 C15H18NO3+ 2 260.1281 0.41
+PK$NUM_PEAK: 15
+PK$PEAK: m/z int. rel.int.
+  91.0545 352917.1 20
+  107.0489 428779.2 25
+  114.0913 1008134.8 58
+  119.0496 335134.3 19
+  121.0648 1296552.2 75
+  128.1434 17130430 999
+  130.0863 1324188.9 77
+  132.1019 829973.9 48
+  135.0678 486487.1 28
+  140.1431 449133.2 26
+  150.0914 13975727 815
+  168.1382 771784.6 45
+  178.0866 470031.1 27
+  196.1331 643605.6 37
+  260.1282 470909.9 27
+//
diff --git a/Eawag/MSBNK-EAWAG-ED224208.txt b/Eawag/MSBNK-EAWAG-ED224208.txt
new file mode 100644
index 0000000000..2cae226d96
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED224208.txt
@@ -0,0 +1,70 @@
+ACCESSION: MSBNK-EAWAG-ED224208
+RECORD_TITLE: Microginin 299C; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.21577/0100-4042.20170640
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2242
+CH$NAME: Microginin 299C
+CH$NAME: (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-3-amino-2-hydroxydecanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C45H68N6O10
+CH$EXACT_MASS: 852.4996924
+CH$SMILES: CCCCCCC[C@@H]([C@@H](C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)[C@@H](CC1=CC=C(C=C1)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)O)O)N
+CH$IUPAC: InChI=1S/C45H68N6O10/c1-8-9-10-11-12-14-33(46)39(54)41(56)48-37(27(2)3)43(58)50(7)38(28(4)5)44(59)49(6)36(26-30-18-22-32(53)23-19-30)42(57)51-24-13-15-35(51)40(55)47-34(45(60)61)25-29-16-20-31(52)21-17-29/h16-23,27-28,33-39,52-54H,8-15,24-26,46H2,1-7H3,(H,47,55)(H,48,56)(H,60,61)/t33-,34-,35-,36-,37-,38-,39-/m0/s1
+CH$LINK: PUBCHEM CID:10463277
+CH$LINK: INCHIKEY DTXKFCMLEVLURZ-ZTYVOHGWSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 89-892
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.331 min
+MS$FOCUSED_ION: BASE_PEAK 853.5071
+MS$FOCUSED_ION: PRECURSOR_M/Z 853.507
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0fb9-0900000000-587f4eb17b490085c5e3
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  91.0542 C7H7+ 1 91.0542 0.16
+  107.0491 C7H7O+ 1 107.0491 -0.28
+  112.0758 C6H10NO+ 1 112.0757 1.18
+  114.0913 C6H12NO+ 1 114.0913 -0.24
+  119.0492 C8H7O+ 1 119.0491 0.36
+  121.0649 C8H9O+ 1 121.0648 0.65
+  128.1433 C8H18N+ 1 128.1434 -0.32
+  130.0861 C6H12NO2+ 1 130.0863 -1.31
+  132.102 C6H14NO2+ 1 132.1019 0.57
+  135.0677 C8H9NO+ 1 135.0679 -0.86
+  150.0913 C9H12NO+ 1 150.0913 -0.04
+  168.1377 C10H18NO+ 2 168.1383 -3.29
+  178.0861 C10H12NO2+ 1 178.0863 -0.65
+  196.1334 C11H18NO2+ 1 196.1332 0.89
+PK$NUM_PEAK: 14
+PK$PEAK: m/z int. rel.int.
+  91.0542 782828.5 65
+  107.0491 724388.5 60
+  112.0758 132902.8 11
+  114.0913 738462.9 62
+  119.0492 608863.3 51
+  121.0649 1502213.2 126
+  128.1433 11885252 999
+  130.0861 883834.8 74
+  132.102 284686.1 23
+  135.0677 904742.1 76
+  150.0913 9915819 833
+  168.1377 468935.4 39
+  178.0861 180971.9 15
+  196.1334 208011.5 17
+//
diff --git a/Eawag/MSBNK-EAWAG-ED224209.txt b/Eawag/MSBNK-EAWAG-ED224209.txt
new file mode 100644
index 0000000000..54817883e8
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED224209.txt
@@ -0,0 +1,70 @@
+ACCESSION: MSBNK-EAWAG-ED224209
+RECORD_TITLE: Microginin 299C; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M+H]+; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.21577/0100-4042.20170640
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2242
+CH$NAME: Microginin 299C
+CH$NAME: (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-3-amino-2-hydroxydecanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C45H68N6O10
+CH$EXACT_MASS: 852.4996924
+CH$SMILES: CCCCCCC[C@@H]([C@@H](C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)[C@@H](CC1=CC=C(C=C1)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)O)O)N
+CH$IUPAC: InChI=1S/C45H68N6O10/c1-8-9-10-11-12-14-33(46)39(54)41(56)48-37(27(2)3)43(58)50(7)38(28(4)5)44(59)49(6)36(26-30-18-22-32(53)23-19-30)42(57)51-24-13-15-35(51)40(55)47-34(45(60)61)25-29-16-20-31(52)21-17-29/h16-23,27-28,33-39,52-54H,8-15,24-26,46H2,1-7H3,(H,47,55)(H,48,56)(H,60,61)/t33-,34-,35-,36-,37-,38-,39-/m0/s1
+CH$LINK: PUBCHEM CID:10463277
+CH$LINK: INCHIKEY DTXKFCMLEVLURZ-ZTYVOHGWSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 89-892
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.331 min
+MS$FOCUSED_ION: BASE_PEAK 853.5071
+MS$FOCUSED_ION: PRECURSOR_M/Z 853.507
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0fb9-0900000000-a13da7ad9d8e7d50642e
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  91.0543 C7H7+ 1 91.0542 1.08
+  107.0494 C7H7O+ 1 107.0491 2.07
+  109.0648 C7H9O+ 1 109.0648 0.48
+  112.0758 C6H10NO+ 1 112.0757 0.56
+  114.0913 C6H12NO+ 1 114.0913 -0.57
+  119.0492 C8H7O+ 1 119.0491 0.1
+  121.0649 C8H9O+ 1 121.0648 0.71
+  128.1434 C8H18N+ 1 128.1434 0.4
+  130.0861 C6H12NO2+ 1 130.0863 -0.84
+  135.068 C8H9NO+ 1 135.0679 0.73
+  140.1433 C9H18N+ 1 140.1434 -0.22
+  150.0914 C9H12NO+ 1 150.0913 0.47
+  158.1545 C9H20NO+ 1 158.1539 3.69
+  168.1386 C10H18NO+ 1 168.1383 1.61
+PK$NUM_PEAK: 14
+PK$PEAK: m/z int. rel.int.
+  91.0543 1249790.6 179
+  107.0494 1121340.9 161
+  109.0648 303250 43
+  112.0758 187638.1 26
+  114.0913 499562 71
+  119.0492 829097.9 119
+  121.0649 1480136.6 212
+  128.1434 6956463 999
+  130.0861 483236.8 69
+  135.068 1517355.2 217
+  140.1433 137784.4 19
+  150.0914 6496514.5 932
+  158.1545 229813.6 33
+  168.1386 180822.1 25
+//
diff --git a/Eawag/MSBNK-EAWAG-ED224251.txt b/Eawag/MSBNK-EAWAG-ED224251.txt
new file mode 100644
index 0000000000..3e0c2676cd
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED224251.txt
@@ -0,0 +1,44 @@
+ACCESSION: MSBNK-EAWAG-ED224251
+RECORD_TITLE: Microginin 299C; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.21577/0100-4042.20170640
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2242
+CH$NAME: Microginin 299C
+CH$NAME: (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-3-amino-2-hydroxydecanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C45H68N6O10
+CH$EXACT_MASS: 852.4996924
+CH$SMILES: CCCCCCC[C@@H]([C@@H](C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)[C@@H](CC1=CC=C(C=C1)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)O)O)N
+CH$IUPAC: InChI=1S/C45H68N6O10/c1-8-9-10-11-12-14-33(46)39(54)41(56)48-37(27(2)3)43(58)50(7)38(28(4)5)44(59)49(6)36(26-30-18-22-32(53)23-19-30)42(57)51-24-13-15-35(51)40(55)47-34(45(60)61)25-29-16-20-31(52)21-17-29/h16-23,27-28,33-39,52-54H,8-15,24-26,46H2,1-7H3,(H,47,55)(H,48,56)(H,60,61)/t33-,34-,35-,36-,37-,38-,39-/m0/s1
+CH$LINK: PUBCHEM CID:10463277
+CH$LINK: INCHIKEY DTXKFCMLEVLURZ-ZTYVOHGWSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 88-890
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.318 min
+MS$FOCUSED_ION: BASE_PEAK 851.4932
+MS$FOCUSED_ION: PRECURSOR_M/Z 851.4924
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0udi-0000000090-a5c7340af125533bbb5f
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  851.493 C45H67N6O10- 1 851.4924 0.74
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  851.493 75517416 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED224252.txt b/Eawag/MSBNK-EAWAG-ED224252.txt
new file mode 100644
index 0000000000..eb67291d1e
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED224252.txt
@@ -0,0 +1,44 @@
+ACCESSION: MSBNK-EAWAG-ED224252
+RECORD_TITLE: Microginin 299C; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.21577/0100-4042.20170640
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2242
+CH$NAME: Microginin 299C
+CH$NAME: (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-3-amino-2-hydroxydecanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C45H68N6O10
+CH$EXACT_MASS: 852.4996924
+CH$SMILES: CCCCCCC[C@@H]([C@@H](C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)[C@@H](CC1=CC=C(C=C1)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)O)O)N
+CH$IUPAC: InChI=1S/C45H68N6O10/c1-8-9-10-11-12-14-33(46)39(54)41(56)48-37(27(2)3)43(58)50(7)38(28(4)5)44(59)49(6)36(26-30-18-22-32(53)23-19-30)42(57)51-24-13-15-35(51)40(55)47-34(45(60)61)25-29-16-20-31(52)21-17-29/h16-23,27-28,33-39,52-54H,8-15,24-26,46H2,1-7H3,(H,47,55)(H,48,56)(H,60,61)/t33-,34-,35-,36-,37-,38-,39-/m0/s1
+CH$LINK: PUBCHEM CID:10463277
+CH$LINK: INCHIKEY DTXKFCMLEVLURZ-ZTYVOHGWSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 88-890
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.318 min
+MS$FOCUSED_ION: BASE_PEAK 851.4932
+MS$FOCUSED_ION: PRECURSOR_M/Z 851.4924
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0udi-0000000090-a5c7340af125533bbb5f
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  851.493 C45H67N6O10- 1 851.4924 0.74
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  851.493 77318456 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED224253.txt b/Eawag/MSBNK-EAWAG-ED224253.txt
new file mode 100644
index 0000000000..e14a7b96b2
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED224253.txt
@@ -0,0 +1,48 @@
+ACCESSION: MSBNK-EAWAG-ED224253
+RECORD_TITLE: Microginin 299C; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.21577/0100-4042.20170640
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2242
+CH$NAME: Microginin 299C
+CH$NAME: (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-3-amino-2-hydroxydecanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C45H68N6O10
+CH$EXACT_MASS: 852.4996924
+CH$SMILES: CCCCCCC[C@@H]([C@@H](C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)[C@@H](CC1=CC=C(C=C1)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)O)O)N
+CH$IUPAC: InChI=1S/C45H68N6O10/c1-8-9-10-11-12-14-33(46)39(54)41(56)48-37(27(2)3)43(58)50(7)38(28(4)5)44(59)49(6)36(26-30-18-22-32(53)23-19-30)42(57)51-24-13-15-35(51)40(55)47-34(45(60)61)25-29-16-20-31(52)21-17-29/h16-23,27-28,33-39,52-54H,8-15,24-26,46H2,1-7H3,(H,47,55)(H,48,56)(H,60,61)/t33-,34-,35-,36-,37-,38-,39-/m0/s1
+CH$LINK: PUBCHEM CID:10463277
+CH$LINK: INCHIKEY DTXKFCMLEVLURZ-ZTYVOHGWSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 88-890
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.318 min
+MS$FOCUSED_ION: BASE_PEAK 851.4932
+MS$FOCUSED_ION: PRECURSOR_M/Z 851.4924
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0udi-0000000090-79d8778d9204d8ab173e
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  277.1186 C12H15N5O3- 2 277.118 2.14
+  745.4507 C38H61N6O9- 2 745.4506 0.13
+  851.4925 C45H67N6O10- 1 851.4924 0.1
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  277.1186 4160173 67
+  745.4507 1274030.6 20
+  851.4925 61505760 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED224254.txt b/Eawag/MSBNK-EAWAG-ED224254.txt
new file mode 100644
index 0000000000..b580d9c6c0
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED224254.txt
@@ -0,0 +1,58 @@
+ACCESSION: MSBNK-EAWAG-ED224254
+RECORD_TITLE: Microginin 299C; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.21577/0100-4042.20170640
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2242
+CH$NAME: Microginin 299C
+CH$NAME: (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-3-amino-2-hydroxydecanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C45H68N6O10
+CH$EXACT_MASS: 852.4996924
+CH$SMILES: CCCCCCC[C@@H]([C@@H](C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)[C@@H](CC1=CC=C(C=C1)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)O)O)N
+CH$IUPAC: InChI=1S/C45H68N6O10/c1-8-9-10-11-12-14-33(46)39(54)41(56)48-37(27(2)3)43(58)50(7)38(28(4)5)44(59)49(6)36(26-30-18-22-32(53)23-19-30)42(57)51-24-13-15-35(51)40(55)47-34(45(60)61)25-29-16-20-31(52)21-17-29/h16-23,27-28,33-39,52-54H,8-15,24-26,46H2,1-7H3,(H,47,55)(H,48,56)(H,60,61)/t33-,34-,35-,36-,37-,38-,39-/m0/s1
+CH$LINK: PUBCHEM CID:10463277
+CH$LINK: INCHIKEY DTXKFCMLEVLURZ-ZTYVOHGWSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 88-890
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.318 min
+MS$FOCUSED_ION: BASE_PEAK 851.4932
+MS$FOCUSED_ION: PRECURSOR_M/Z 851.4924
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0udi-0030100090-deee94c8c8074d5d5f18
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  119.0501 C8H7O- 1 119.0502 -0.83
+  145.0293 C9H5O2- 1 145.0295 -1.73
+  277.1188 C12H15N5O3- 2 277.118 2.69
+  423.1555 C23H23N2O6- 4 423.1562 -1.45
+  427.3285 C22H43N4O4- 3 427.329 -1.07
+  467.3235 C24H43N4O5- 4 467.3239 -0.93
+  745.4505 C38H61N6O9- 2 745.4506 -0.03
+  851.4927 C45H67N6O10- 1 851.4924 0.31
+PK$NUM_PEAK: 8
+PK$PEAK: m/z int. rel.int.
+  119.0501 1336766.2 39
+  145.0293 1245090.6 37
+  277.1188 13428892 400
+  423.1555 3315249 98
+  427.3285 773772.3 23
+  467.3235 683278.8 20
+  745.4505 3686642.8 109
+  851.4927 33491768 999
+//
diff --git a/Eawag/MSBNK-EAWAG-ED224255.txt b/Eawag/MSBNK-EAWAG-ED224255.txt
new file mode 100644
index 0000000000..f6ba026d6f
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED224255.txt
@@ -0,0 +1,112 @@
+ACCESSION: MSBNK-EAWAG-ED224255
+RECORD_TITLE: Microginin 299C; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.21577/0100-4042.20170640
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2242
+CH$NAME: Microginin 299C
+CH$NAME: (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-3-amino-2-hydroxydecanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C45H68N6O10
+CH$EXACT_MASS: 852.4996924
+CH$SMILES: CCCCCCC[C@@H]([C@@H](C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)[C@@H](CC1=CC=C(C=C1)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)O)O)N
+CH$IUPAC: InChI=1S/C45H68N6O10/c1-8-9-10-11-12-14-33(46)39(54)41(56)48-37(27(2)3)43(58)50(7)38(28(4)5)44(59)49(6)36(26-30-18-22-32(53)23-19-30)42(57)51-24-13-15-35(51)40(55)47-34(45(60)61)25-29-16-20-31(52)21-17-29/h16-23,27-28,33-39,52-54H,8-15,24-26,46H2,1-7H3,(H,47,55)(H,48,56)(H,60,61)/t33-,34-,35-,36-,37-,38-,39-/m0/s1
+CH$LINK: PUBCHEM CID:10463277
+CH$LINK: INCHIKEY DTXKFCMLEVLURZ-ZTYVOHGWSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 88-890
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.318 min
+MS$FOCUSED_ION: BASE_PEAK 851.4932
+MS$FOCUSED_ION: PRECURSOR_M/Z 851.4924
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-004i-0690000000-6c0ed525304a213bdf45
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  93.0343 C6H5O- 1 93.0346 -2.73
+  113.072 C5H9N2O- 1 113.072 -0.67
+  119.0501 C8H7O- 1 119.0502 -1.03
+  126.056 C6H8NO2- 1 126.0561 -0.38
+  127.0877 C6H11N2O- 1 127.0877 -0.05
+  129.1032 C6H13N2O- 1 129.1033 -0.94
+  130.0872 C6H12NO2- 1 130.0874 -1.38
+  139.0511 C6H7N2O2- 1 139.0513 -1.56
+  140.0714 C7H10NO2- 1 140.0717 -1.96
+  143.1187 C7H15N2O- 1 143.119 -2.33
+  145.0292 C9H5O2- 1 145.0295 -1.94
+  153.0667 C7H9N2O2- 1 153.067 -1.54
+  162.0554 C9H8NO2- 2 162.0561 -4.09
+  163.0395 C7H5N3O2- 2 163.0387 4.9
+  171.0769 C7H11N2O3- 2 171.0775 -3.59
+  180.0659 C9H10NO3- 2 180.0666 -3.72
+  183.1133 C9H15N2O2- 2 183.1139 -3.24
+  197.056 C8H9N2O4- 2 197.0568 -3.94
+  211.1445 C9H17N5O- 2 211.1439 3.15
+  216.102 C11H12N4O- 2 216.1017 1.54
+  233.1289 C13H17N2O2- 2 233.1296 -2.87
+  242.0817 C14H12NO3- 3 242.0823 -2.27
+  242.1866 C10H22N6O- 2 242.1861 2.27
+  259.1081 C12H13N5O2- 2 259.1075 2.52
+  265.1914 C15H25N2O2- 2 265.1922 -2.9
+  273.1236 C13H15N5O2- 2 273.1231 1.76
+  277.1187 C12H15N5O3- 2 277.118 2.47
+  278.1218 C8H22O10- 3 278.1218 -0.04
+  304.1657 C16H22N3O3- 2 304.1667 -3.23
+  314.2445 C14H30N6O2- 2 314.2436 2.81
+  423.1562 C23H23N2O6- 3 423.1562 0.14
+  427.3284 C22H43N4O4- 4 427.329 -1.29
+  467.3238 C24H43N4O5- 3 467.3239 -0.21
+  745.4505 C38H61N6O9- 2 745.4506 -0.11
+  851.4914 C45H67N6O10- 1 851.4924 -1.19
+PK$NUM_PEAK: 35
+PK$PEAK: m/z int. rel.int.
+  93.0343 170722.3 12
+  113.072 1551398 111
+  119.0501 4656720 333
+  126.056 628882.9 45
+  127.0877 142190.7 10
+  129.1032 464737.9 33
+  130.0872 150820.6 10
+  139.0511 407296.3 29
+  140.0714 170353.4 12
+  143.1187 906160.6 64
+  145.0292 2337185.8 167
+  153.0667 230640.5 16
+  162.0554 151973.6 10
+  163.0395 790649.1 56
+  171.0769 1961433.8 140
+  180.0659 856829.9 61
+  183.1133 376670.1 27
+  197.056 176931.2 12
+  211.1445 1075020.5 77
+  216.102 153967.6 11
+  233.1289 2409172.2 172
+  242.0817 324320.7 23
+  242.1866 986693.3 70
+  259.1081 411720.5 29
+  265.1914 971077.3 69
+  273.1236 290350.4 20
+  277.1187 13931368 999
+  278.1218 285309.3 20
+  304.1657 1257928.8 90
+  314.2445 417773.2 29
+  423.1562 519525.6 37
+  427.3284 387066.4 27
+  467.3238 527355.9 37
+  745.4505 437248.8 31
+  851.4914 603907.4 43
+//
diff --git a/Eawag/MSBNK-EAWAG-ED224256.txt b/Eawag/MSBNK-EAWAG-ED224256.txt
new file mode 100644
index 0000000000..482e4db8a9
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED224256.txt
@@ -0,0 +1,136 @@
+ACCESSION: MSBNK-EAWAG-ED224256
+RECORD_TITLE: Microginin 299C; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.21577/0100-4042.20170640
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2242
+CH$NAME: Microginin 299C
+CH$NAME: (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-3-amino-2-hydroxydecanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C45H68N6O10
+CH$EXACT_MASS: 852.4996924
+CH$SMILES: CCCCCCC[C@@H]([C@@H](C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)[C@@H](CC1=CC=C(C=C1)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)O)O)N
+CH$IUPAC: InChI=1S/C45H68N6O10/c1-8-9-10-11-12-14-33(46)39(54)41(56)48-37(27(2)3)43(58)50(7)38(28(4)5)44(59)49(6)36(26-30-18-22-32(53)23-19-30)42(57)51-24-13-15-35(51)40(55)47-34(45(60)61)25-29-16-20-31(52)21-17-29/h16-23,27-28,33-39,52-54H,8-15,24-26,46H2,1-7H3,(H,47,55)(H,48,56)(H,60,61)/t33-,34-,35-,36-,37-,38-,39-/m0/s1
+CH$LINK: PUBCHEM CID:10463277
+CH$LINK: INCHIKEY DTXKFCMLEVLURZ-ZTYVOHGWSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 88-890
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.318 min
+MS$FOCUSED_ION: BASE_PEAK 851.4932
+MS$FOCUSED_ION: PRECURSOR_M/Z 851.4924
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-02di-0930000000-58ed224a1bae2968de6d
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  93.0345 C6H5O- 1 93.0346 -1.42
+  106.0425 C7H6O- 1 106.0424 0.48
+  107.05 C7H7O- 1 107.0502 -2.16
+  112.0768 C6H10NO- 1 112.0768 0.14
+  113.072 C5H9N2O- 1 113.072 -0.6
+  116.0717 C5H10NO2- 1 116.0717 -0.01
+  117.0344 C8H5O- 1 117.0346 -1.2
+  119.0501 C8H7O- 1 119.0502 -1.03
+  125.0356 C5H5N2O2- 1 125.0357 -0.56
+  125.0722 C6H9N2O- 1 125.072 1.32
+  126.056 C6H8NO2- 1 126.0561 -0.56
+  126.092 C7H12NO- 1 126.0924 -3.29
+  127.0876 C6H11N2O- 1 127.0877 -0.95
+  129.1032 C6H13N2O- 1 129.1033 -1.05
+  130.0874 C6H12NO2- 1 130.0874 0.14
+  134.061 C8H8NO- 1 134.0611 -1.09
+  136.0769 C8H10NO- 1 136.0768 0.67
+  138.056 C7H8NO2- 1 138.0561 -0.34
+  139.0511 C6H7N2O2- 1 139.0513 -1.34
+  139.0874 C7H11N2O- 1 139.0877 -2.29
+  140.0712 C7H10NO2- 1 140.0717 -3.59
+  141.103 C7H13N2O- 1 141.1033 -2.04
+  143.1188 C7H15N2O- 1 143.119 -1.47
+  145.0292 C9H5O2- 1 145.0295 -1.84
+  152.059 C7H8N2O2- 1 152.0591 -0.89
+  152.1441 C10H18N- 1 152.1445 -2.73
+  153.0665 C7H9N2O2- 1 153.067 -2.84
+  155.0824 C7H11N2O2- 1 155.0826 -1.06
+  162.056 C9H8NO2- 1 162.0561 -0.51
+  163.0395 C7H5N3O2- 2 163.0387 5
+  167.0819 C6H9N5O- 2 167.0813 3.65
+  168.0899 C8H12N2O2- 2 168.0904 -3.23
+  169.0976 C8H13N2O2- 2 169.0983 -3.61
+  171.0769 C7H11N2O3- 2 171.0775 -3.42
+  180.066 C9H10NO3- 2 180.0666 -3.21
+  183.1132 C9H15N2O2- 2 183.1139 -3.65
+  211.1445 C9H17N5O- 2 211.1439 3.01
+  216.1023 C11H12N4O- 2 216.1017 3.1
+  227.1754 C10H21N5O- 2 227.1752 0.96
+  234.1321 C7H22O8- 1 234.132 0.43
+  242.1866 C10H22N6O- 2 242.1861 2.39
+  259.108 C12H13N5O2- 2 259.1075 2.05
+  265.1915 C15H25N2O2- 2 265.1922 -2.33
+  273.1233 C13H15N5O2- 2 273.1231 0.76
+  277.1187 C12H15N5O3- 2 277.118 2.36
+  278.122 C8H22O10- 2 278.1218 0.73
+  304.1657 C16H22N3O3- 2 304.1667 -3.33
+PK$NUM_PEAK: 47
+PK$PEAK: m/z int. rel.int.
+  93.0345 259930.4 49
+  106.0425 58094.8 11
+  107.05 222098.8 42
+  112.0768 108615.9 20
+  113.072 3871113 740
+  116.0717 62665.8 11
+  117.0344 189546.8 36
+  119.0501 5219024.5 999
+  125.0356 64816.4 12
+  125.0722 72208 13
+  126.056 373183.3 71
+  126.092 98405 18
+  127.0876 389862.3 74
+  129.1032 1062523.8 203
+  130.0874 131455.1 25
+  134.061 161337.1 30
+  136.0769 123769 23
+  138.056 132244.7 25
+  139.0511 472025.7 90
+  139.0874 153611.1 29
+  140.0712 234031.4 44
+  141.103 69606.6 13
+  143.1188 1285194.4 246
+  145.0292 1929575 369
+  152.059 120511.5 23
+  152.1441 259911.4 49
+  153.0665 322522.2 61
+  155.0824 131777.8 25
+  162.056 96779.6 18
+  163.0395 764489.5 146
+  167.0819 124822.8 23
+  168.0899 379959.8 72
+  169.0976 175626 33
+  171.0769 2122325 406
+  180.066 838304.4 160
+  183.1132 345113.7 66
+  211.1445 888072.7 169
+  216.1023 196819 37
+  227.1754 162082.5 31
+  234.1321 79427.3 15
+  242.1866 670480.8 128
+  259.108 144541.3 27
+  265.1915 523695.7 100
+  273.1233 142020.7 27
+  277.1187 4600045.5 880
+  278.122 82450.8 15
+  304.1657 561788.5 107
+//
diff --git a/Eawag/MSBNK-EAWAG-ED224257.txt b/Eawag/MSBNK-EAWAG-ED224257.txt
new file mode 100644
index 0000000000..e51dce03df
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED224257.txt
@@ -0,0 +1,138 @@
+ACCESSION: MSBNK-EAWAG-ED224257
+RECORD_TITLE: Microginin 299C; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.21577/0100-4042.20170640
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2242
+CH$NAME: Microginin 299C
+CH$NAME: (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-3-amino-2-hydroxydecanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C45H68N6O10
+CH$EXACT_MASS: 852.4996924
+CH$SMILES: CCCCCCC[C@@H]([C@@H](C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)[C@@H](CC1=CC=C(C=C1)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)O)O)N
+CH$IUPAC: InChI=1S/C45H68N6O10/c1-8-9-10-11-12-14-33(46)39(54)41(56)48-37(27(2)3)43(58)50(7)38(28(4)5)44(59)49(6)36(26-30-18-22-32(53)23-19-30)42(57)51-24-13-15-35(51)40(55)47-34(45(60)61)25-29-16-20-31(52)21-17-29/h16-23,27-28,33-39,52-54H,8-15,24-26,46H2,1-7H3,(H,47,55)(H,48,56)(H,60,61)/t33-,34-,35-,36-,37-,38-,39-/m0/s1
+CH$LINK: PUBCHEM CID:10463277
+CH$LINK: INCHIKEY DTXKFCMLEVLURZ-ZTYVOHGWSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 88-890
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.318 min
+MS$FOCUSED_ION: BASE_PEAK 851.4932
+MS$FOCUSED_ION: PRECURSOR_M/Z 851.4924
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03yi-0910000000-9a247edea4ea991be33e
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  93.0344 C6H5O- 1 93.0346 -1.67
+  98.0612 C5H8NO- 1 98.0611 0.83
+  99.0562 C4H7N2O- 1 99.0564 -2.02
+  106.0423 C7H6O- 1 106.0424 -0.68
+  107.0502 C7H7O- 1 107.0502 -0.66
+  110.0611 C6H8NO- 1 110.0611 0.05
+  111.0563 C5H7N2O- 1 111.0564 -0.64
+  112.0277 C4H4N2O2- 1 112.0278 -0.78
+  112.0767 C6H10NO- 1 112.0768 -1.16
+  113.072 C5H9N2O- 1 113.072 -0.27
+  116.0717 C5H10NO2- 1 116.0717 0.05
+  117.0345 C8H5O- 1 117.0346 -0.48
+  119.0502 C8H7O- 1 119.0502 -0.64
+  125.0354 C5H5N2O2- 1 125.0357 -1.72
+  126.0564 C6H8NO2- 1 126.0561 2.89
+  126.0923 C7H12NO- 1 126.0924 -1.41
+  127.0876 C6H11N2O- 1 127.0877 -0.65
+  129.1032 C6H13N2O- 1 129.1033 -0.82
+  130.0871 C6H12NO2- 1 130.0874 -1.62
+  134.061 C8H8NO- 1 134.0611 -1.31
+  136.0769 C8H10NO- 1 136.0768 0.78
+  138.0559 C7H8NO2- 1 138.0561 -1
+  139.0513 C6H7N2O2- 1 139.0513 -0.36
+  139.0875 C7H11N2O- 1 139.0877 -1.08
+  140.0714 C7H10NO2- 1 140.0717 -2.39
+  141.1031 C7H13N2O- 1 141.1033 -1.61
+  143.1187 C7H15N2O- 1 143.119 -1.69
+  145.0292 C9H5O2- 1 145.0295 -1.84
+  152.0587 C7H8N2O2- 1 152.0591 -2.99
+  152.1443 C10H18N- 1 152.1445 -0.82
+  153.0666 C7H9N2O2- 1 153.067 -2.34
+  154.0733 C5H8N5O- 1 154.0734 -0.61
+  154.088 C8H12NO2- 1 154.0874 4.13
+  155.0821 C7H11N2O2- 1 155.0826 -3.03
+  162.0558 C9H8NO2- 1 162.0561 -1.55
+  163.0395 C7H5N3O2- 2 163.0387 4.53
+  167.0818 C6H9N5O- 1 167.0813 3.01
+  168.0899 C8H12N2O2- 1 168.0904 -2.96
+  169.0979 C8H13N2O2- 1 169.0983 -1.99
+  171.077 C7H11N2O3- 2 171.0775 -2.88
+  214.087 C13H12NO2- 2 214.0874 -1.45
+  216.102 C11H12N4O- 2 216.1017 1.76
+  227.1757 C10H21N5O- 2 227.1752 2.24
+  231.1138 C13H15N2O2- 1 231.1139 -0.47
+  233.1289 C13H17N2O2- 2 233.1296 -2.74
+  234.1321 C7H22O8- 1 234.132 0.43
+  242.0821 C14H12NO3- 3 242.0823 -0.69
+  277.1188 C12H15N5O3- 2 277.118 2.58
+PK$NUM_PEAK: 48
+PK$PEAK: m/z int. rel.int.
+  93.0344 340392.8 68
+  98.0612 62242.6 12
+  99.0562 61621 12
+  106.0423 91428.4 18
+  107.0502 293228.8 59
+  110.0611 54140.2 10
+  111.0563 91459.5 18
+  112.0277 51476.5 10
+  112.0767 96352.2 19
+  113.072 4959527 999
+  116.0717 53906.4 10
+  117.0345 341755.2 68
+  119.0502 4519789 910
+  125.0354 160915.5 32
+  126.0564 109117.9 21
+  126.0923 74763.9 15
+  127.0876 493258.2 99
+  129.1032 1103143 222
+  130.0871 94870.6 19
+  134.061 213643.3 43
+  136.0769 121671.3 24
+  138.0559 112785.1 22
+  139.0513 451977.8 91
+  139.0875 175241.4 35
+  140.0714 168726.5 33
+  141.1031 64845.8 13
+  143.1187 967365.1 194
+  145.0292 1433448.6 288
+  152.0587 132488 26
+  152.1443 291119.5 58
+  153.0666 307160.9 61
+  154.0733 105008.4 21
+  154.088 86072.1 17
+  155.0821 112174.5 22
+  162.0558 64959 13
+  163.0395 517555.6 104
+  167.0818 116285.2 23
+  168.0899 476244.3 95
+  169.0979 107548.3 21
+  171.077 1081748.8 217
+  214.087 63510.8 12
+  216.102 84903.6 17
+  227.1757 67760.3 13
+  231.1138 80187.9 16
+  233.1289 3156928 635
+  234.1321 64161.1 12
+  242.0821 73041.3 14
+  277.1188 719711.7 144
+//
diff --git a/Eawag/MSBNK-EAWAG-ED224258.txt b/Eawag/MSBNK-EAWAG-ED224258.txt
new file mode 100644
index 0000000000..e475473364
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED224258.txt
@@ -0,0 +1,122 @@
+ACCESSION: MSBNK-EAWAG-ED224258
+RECORD_TITLE: Microginin 299C; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.21577/0100-4042.20170640
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2242
+CH$NAME: Microginin 299C
+CH$NAME: (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-3-amino-2-hydroxydecanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C45H68N6O10
+CH$EXACT_MASS: 852.4996924
+CH$SMILES: CCCCCCC[C@@H]([C@@H](C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)[C@@H](CC1=CC=C(C=C1)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)O)O)N
+CH$IUPAC: InChI=1S/C45H68N6O10/c1-8-9-10-11-12-14-33(46)39(54)41(56)48-37(27(2)3)43(58)50(7)38(28(4)5)44(59)49(6)36(26-30-18-22-32(53)23-19-30)42(57)51-24-13-15-35(51)40(55)47-34(45(60)61)25-29-16-20-31(52)21-17-29/h16-23,27-28,33-39,52-54H,8-15,24-26,46H2,1-7H3,(H,47,55)(H,48,56)(H,60,61)/t33-,34-,35-,36-,37-,38-,39-/m0/s1
+CH$LINK: PUBCHEM CID:10463277
+CH$LINK: INCHIKEY DTXKFCMLEVLURZ-ZTYVOHGWSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 88-890
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.318 min
+MS$FOCUSED_ION: BASE_PEAK 851.4932
+MS$FOCUSED_ION: PRECURSOR_M/Z 851.4924
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03xr-0900000000-9ba3cc12d34361e5526d
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  93.0344 C6H5O- 1 93.0346 -1.67
+  98.0611 C5H8NO- 1 98.0611 -0.33
+  99.0565 C4H7N2O- 1 99.0564 1.37
+  106.0423 C7H6O- 1 106.0424 -1.18
+  107.0504 C7H7O- 1 107.0502 1.41
+  110.061 C6H8NO- 1 110.0611 -1.13
+  111.0564 C5H7N2O- 1 111.0564 -0.09
+  112.0279 C4H4N2O2- 1 112.0278 0.58
+  112.0766 C6H10NO- 1 112.0768 -1.43
+  113.072 C5H9N2O- 1 113.072 -0.47
+  116.0714 C5H10NO2- 1 116.0717 -2.91
+  117.0345 C8H5O- 1 117.0346 -0.93
+  119.0501 C8H7O- 1 119.0502 -0.96
+  124.0407 C6H6NO2- 1 124.0404 2.53
+  125.0355 C5H5N2O2- 1 125.0357 -1.23
+  125.072 C6H9N2O- 1 125.072 -0.32
+  126.056 C6H8NO2- 1 126.0561 -0.8
+  127.0876 C6H11N2O- 1 127.0877 -0.65
+  129.1032 C6H13N2O- 1 129.1033 -1.17
+  133.0533 C8H7NO- 1 133.0533 -0.38
+  134.061 C8H8NO- 1 134.0611 -1.09
+  136.0765 C8H10NO- 1 136.0768 -1.91
+  139.0514 C6H7N2O2- 1 139.0513 1.07
+  139.0871 C7H11N2O- 1 139.0877 -4.26
+  143.1187 C7H15N2O- 1 143.119 -2.11
+  145.0292 C9H5O2- 1 145.0295 -1.94
+  152.1439 C10H18N- 1 152.1445 -3.53
+  153.0664 C7H9N2O2- 1 153.067 -3.64
+  154.074 C5H8N5O- 2 154.0734 3.95
+  154.0872 C8H12NO2- 1 154.0874 -0.73
+  155.082 C7H11N2O2- 2 155.0826 -3.72
+  163.0392 C7H5N3O2- 1 163.0387 3.22
+  167.082 C8H11N2O2- 2 167.0826 -3.75
+  168.0898 C8H12N2O2- 2 168.0904 -3.68
+  169.098 C8H13N2O2- 1 169.0983 -1.63
+  171.0771 C7H11N2O3- 1 171.0775 -2.17
+  180.0661 C9H10NO3- 2 180.0666 -3.13
+  211.1443 C9H17N5O- 2 211.1439 2
+  233.1289 C13H17N2O2- 2 233.1296 -2.8
+  277.1179 C12H15N5O3- 2 277.118 -0.39
+PK$NUM_PEAK: 40
+PK$PEAK: m/z int. rel.int.
+  93.0344 424733.2 97
+  98.0611 61883.4 14
+  99.0565 91166.9 20
+  106.0423 106630.8 24
+  107.0504 191614.8 43
+  110.061 56774.8 12
+  111.0564 121197 27
+  112.0279 70524.1 16
+  112.0766 68732.9 15
+  113.072 4367452 999
+  116.0714 47885.3 10
+  117.0345 549624.6 125
+  119.0501 3799150.5 869
+  124.0407 95623.8 21
+  125.0355 302224.8 69
+  125.072 105771 24
+  126.056 73802.3 16
+  127.0876 325340.4 74
+  129.1032 845728.8 193
+  133.0533 71930.7 16
+  134.061 210077.2 48
+  136.0765 83345.4 19
+  139.0514 295372.6 67
+  139.0871 101685.4 23
+  143.1187 600472.4 137
+  145.0292 1015724.2 232
+  152.1439 191653.1 43
+  153.0664 196493.3 44
+  154.074 71805.1 16
+  154.0872 68756.4 15
+  155.082 56512.1 12
+  163.0392 265532.4 60
+  167.082 63277.6 14
+  168.0898 354569.4 81
+  169.098 76641.6 17
+  171.0771 398678.1 91
+  180.0661 238017 54
+  211.1443 95864.7 21
+  233.1289 1229917.9 281
+  277.1179 80047.1 18
+//
diff --git a/Eawag/MSBNK-EAWAG-ED224259.txt b/Eawag/MSBNK-EAWAG-ED224259.txt
new file mode 100644
index 0000000000..2e8db81016
--- /dev/null
+++ b/Eawag/MSBNK-EAWAG-ED224259.txt
@@ -0,0 +1,104 @@
+ACCESSION: MSBNK-EAWAG-ED224259
+RECORD_TITLE: Microginin 299C; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M-H]-; First mass: auto
+DATE: 2024.02.22
+AUTHORS: E. Janssen [dtc], M. Torres [dtc], F. Jacinavicius [dtc], E. Pinto [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+PUBLICATION: 10.21577/0100-4042.20170640
+COMMENT: CONFIDENCE 2b
+COMMENT: CyanoMetDB_ID 2242
+CH$NAME: Microginin 299C
+CH$NAME: (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-3-amino-2-hydroxydecanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C45H68N6O10
+CH$EXACT_MASS: 852.4996924
+CH$SMILES: CCCCCCC[C@@H]([C@@H](C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)[C@@H](CC1=CC=C(C=C1)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)O)O)N
+CH$IUPAC: InChI=1S/C45H68N6O10/c1-8-9-10-11-12-14-33(46)39(54)41(56)48-37(27(2)3)43(58)50(7)38(28(4)5)44(59)49(6)36(26-30-18-22-32(53)23-19-30)42(57)51-24-13-15-35(51)40(55)47-34(45(60)61)25-29-16-20-31(52)21-17-29/h16-23,27-28,33-39,52-54H,8-15,24-26,46H2,1-7H3,(H,47,55)(H,48,56)(H,60,61)/t33-,34-,35-,36-,37-,38-,39-/m0/s1
+CH$LINK: PUBCHEM CID:10463277
+CH$LINK: INCHIKEY DTXKFCMLEVLURZ-ZTYVOHGWSA-N
+AC$INSTRUMENT: Exploris 240 Thermo Scientific
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 88-890
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 30 min
+AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.318 min
+MS$FOCUSED_ION: BASE_PEAK 851.4932
+MS$FOCUSED_ION: PRECURSOR_M/Z 851.4924
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-02t9-0900000000-0f782187cf2135dc5bb5
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  93.0345 C6H5O- 1 93.0346 -1.09
+  98.0611 C5H8NO- 1 98.0611 -0.33
+  99.0563 C4H7N2O- 1 99.0564 -1.25
+  107.0502 C7H7O- 1 107.0502 -0.3
+  111.0564 C5H7N2O- 1 111.0564 0.53
+  112.0277 C4H4N2O2- 1 112.0278 -0.92
+  112.0767 C6H10NO- 1 112.0768 -1.22
+  113.072 C5H9N2O- 1 113.072 -0.47
+  117.0345 C8H5O- 1 117.0346 -0.61
+  119.0501 C8H7O- 1 119.0502 -0.77
+  124.0405 C6H6NO2- 1 124.0404 0.69
+  125.0355 C5H5N2O2- 1 125.0357 -1.17
+  125.0718 C6H9N2O- 1 125.072 -1.6
+  127.0876 C6H11N2O- 1 127.0877 -0.65
+  129.1033 C6H13N2O- 1 129.1033 -0.35
+  133.053 C8H7NO- 1 133.0533 -2.22
+  134.0609 C8H8NO- 1 134.0611 -1.88
+  138.0561 C7H8NO2- 1 138.0561 0.32
+  139.0512 C6H7N2O2- 1 139.0513 -0.69
+  139.0877 C7H11N2O- 1 139.0877 -0.09
+  140.0716 C7H10NO2- 1 140.0717 -0.43
+  143.1188 C7H15N2O- 1 143.119 -1.05
+  145.0293 C9H5O2- 1 145.0295 -1.52
+  152.1444 C10H18N- 1 152.1445 -0.32
+  153.0665 C7H9N2O2- 1 153.067 -2.74
+  154.0739 C5H8N5O- 1 154.0734 2.76
+  154.0872 C8H12NO2- 1 154.0874 -1.12
+  163.0391 C7H5N3O2- 1 163.0387 2.19
+  168.0899 C8H12N2O2- 2 168.0904 -3.05
+  180.066 C9H10NO3- 2 180.0666 -3.3
+  233.1289 C13H17N2O2- 2 233.1296 -2.87
+PK$NUM_PEAK: 31
+PK$PEAK: m/z int. rel.int.
+  93.0345 405948.4 126
+  98.0611 57060.8 17
+  99.0563 77127.1 24
+  107.0502 169503.4 52
+  111.0564 132994.7 41
+  112.0277 57810.8 18
+  112.0767 47128.9 14
+  113.072 2866974.8 895
+  117.0345 817660.8 255
+  119.0501 3198254 999
+  124.0405 90845.3 28
+  125.0355 341028.9 106
+  125.0718 104336.3 32
+  127.0876 198108.1 61
+  129.1033 475830.9 148
+  133.053 115856.4 36
+  134.0609 174111.5 54
+  138.0561 71691.3 22
+  139.0512 259472.6 81
+  139.0877 33627 10
+  140.0716 48088.5 15
+  143.1188 231304.7 72
+  145.0293 582094.7 181
+  152.1444 145660.6 45
+  153.0665 145801.3 45
+  154.0739 35531.1 11
+  154.0872 52325.1 16
+  163.0391 99458.1 31
+  168.0899 172079 53
+  180.066 70397.5 21
+  233.1289 293491 91
+//
diff --git a/Eawag/MSBNK-MLU-ED002101.txt b/Eawag/MSBNK-MLU-ED002101.txt
new file mode 100644
index 0000000000..17c07c6a55
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED002101.txt
@@ -0,0 +1,61 @@
+ACCESSION: MSBNK-MLU-ED002101
+RECORD_TITLE: Tutuilamide A; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], W. H. Gerwick [dtc], R. Reher [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 21
+CH$NAME: Tutuilamide A
+CH$NAME: (2S,3S)-N-[(2S,5S,8S,11R,12S,15Z,18S,21R)-2-benzyl-15-ethylidene-21-hydroxy-5-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]-2-[[(2S)-2-[[(E)-4-chloro-3-methylbut-3-enoyl]amino]propanoyl]amino]-3-methylpentanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C51H69ClN8O12
+CH$EXACT_MASS: 1020.472347
+CH$SMILES: O=C(N(C)[C@@H](CC1=CC=C(O)C=C1)C(N[C@@H](C(C)C)C2=O)=O)[C@H](CC3=CC=CC=C3)N([C@@H](CC4)O)C([C@H]4NC(/C(NC([C@@H](NC([C@H]([C@H](CC)C)NC([C@H](C)NC(C/C(C)=C/Cl)=O)=O)=O)[C@@H](C)O2)=O)=C/C)=O)=O
+CH$IUPAC: InChI=1S/C51H69ClN8O12/c1-10-29(6)42(57-44(64)30(7)53-39(62)23-28(5)26-52)47(67)58-43-31(8)72-51(71)41(27(3)4)56-46(66)37(24-33-17-19-34(61)20-18-33)59(9)50(70)38(25-32-15-13-12-14-16-32)60-40(63)22-21-36(49(60)69)55-45(65)35(11-2)54-48(43)68/h11-20,26-27,29-31,36-38,40-43,61,63H,10,21-25H2,1-9H3,(H,53,62)(H,54,68)(H,55,65)(H,56,66)(H,57,64)(H,58,67)/b28-26+,35-11-/t29-,30-,31+,36-,37-,38-,40+,41-,42-,43-/m0/s1
+CH$LINK: PUBCHEM CID:146683664
+CH$LINK: INCHIKEY CWLDDHHTMAJFMM-LKVOOIPRSA-N
+CH$LINK: CHEMSPIDER 81424470
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 70-1060
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.532 min
+MS$FOCUSED_ION: BASE_PEAK 1003.47
+MS$FOCUSED_ION: PRECURSOR_M/Z 1021.4796
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 182859524
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0uk9-9000710000-bc91e9dc7bab5ac636be
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  150.0906 C9H12NO+ 2 150.0913 -4.95
+  295.1654 C15H23N2O4+ 5 295.1652 0.72
+  326.1506 C4H22N8O9+ 9 326.1504 0.5
+  420.192 C24H26N3O4+ 11 420.1918 0.52
+  467.2059 C11H31N8O12+ 13 467.2056 0.73
+  503.2289 C28H31N4O5+ 12 503.2289 -0.08
+  537.271 C26H40ClN5O5+ 12 537.2712 -0.4
+  761.3638 C37H54ClN6O9+ 15 761.3635 0.3
+  1003.4692 C51H68ClN8O11+ 1 1003.4691 0.13
+PK$NUM_PEAK: 9
+PK$PEAK: m/z int. rel.int.
+  150.0906 563763.2 20
+  295.1654 509231.6 18
+  326.1506 318987.1 11
+  420.192 19992294 710
+  467.2059 3509468.5 124
+  503.2289 3201568 113
+  537.271 2532554.8 90
+  761.3638 1353267.6 48
+  1003.4692 28097866 999
+//
diff --git a/Eawag/MSBNK-MLU-ED002102.txt b/Eawag/MSBNK-MLU-ED002102.txt
new file mode 100644
index 0000000000..04d0d6aad4
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED002102.txt
@@ -0,0 +1,71 @@
+ACCESSION: MSBNK-MLU-ED002102
+RECORD_TITLE: Tutuilamide A; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], W. H. Gerwick [dtc], R. Reher [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 21
+CH$NAME: Tutuilamide A
+CH$NAME: (2S,3S)-N-[(2S,5S,8S,11R,12S,15Z,18S,21R)-2-benzyl-15-ethylidene-21-hydroxy-5-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]-2-[[(2S)-2-[[(E)-4-chloro-3-methylbut-3-enoyl]amino]propanoyl]amino]-3-methylpentanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C51H69ClN8O12
+CH$EXACT_MASS: 1020.472347
+CH$SMILES: O=C(N(C)[C@@H](CC1=CC=C(O)C=C1)C(N[C@@H](C(C)C)C2=O)=O)[C@H](CC3=CC=CC=C3)N([C@@H](CC4)O)C([C@H]4NC(/C(NC([C@@H](NC([C@H]([C@H](CC)C)NC([C@H](C)NC(C/C(C)=C/Cl)=O)=O)=O)[C@@H](C)O2)=O)=C/C)=O)=O
+CH$IUPAC: InChI=1S/C51H69ClN8O12/c1-10-29(6)42(57-44(64)30(7)53-39(62)23-28(5)26-52)47(67)58-43-31(8)72-51(71)41(27(3)4)56-46(66)37(24-33-17-19-34(61)20-18-33)59(9)50(70)38(25-32-15-13-12-14-16-32)60-40(63)22-21-36(49(60)69)55-45(65)35(11-2)54-48(43)68/h11-20,26-27,29-31,36-38,40-43,61,63H,10,21-25H2,1-9H3,(H,53,62)(H,54,68)(H,55,65)(H,56,66)(H,57,64)(H,58,67)/b28-26+,35-11-/t29-,30-,31+,36-,37-,38-,40+,41-,42-,43-/m0/s1
+CH$LINK: PUBCHEM CID:146683664
+CH$LINK: INCHIKEY CWLDDHHTMAJFMM-LKVOOIPRSA-N
+CH$LINK: CHEMSPIDER 81424470
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 70-1060
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.532 min
+MS$FOCUSED_ION: BASE_PEAK 1003.47
+MS$FOCUSED_ION: PRECURSOR_M/Z 1021.4796
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 182859524
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00di-1130900000-7b81503b5aa43c121d33
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  86.0964 C5H12N+ 1 86.0964 -0.76
+  150.0912 C9H12NO+ 2 150.0913 -0.99
+  187.1231 C12H15N2+ 1 187.123 0.44
+  215.1175 C13H15N2O+ 4 215.1179 -1.59
+  243.1125 C14H15N2O2+ 5 243.1128 -1.45
+  280.1655 C14H22N3O3+ 6 280.1656 -0.21
+  295.1654 C15H23N2O4+ 6 295.1652 0.41
+  301.1316 C3H21N6O10+ 6 301.1314 0.75
+  326.1506 C4H22N8O9+ 9 326.1504 0.4
+  420.192 C24H26N3O4+ 11 420.1918 0.45
+  467.2059 C11H31N8O12+ 13 467.2056 0.73
+  503.2288 C28H31N4O5+ 12 503.2289 -0.14
+  537.2712 C26H40ClN5O5+ 12 537.2712 -0.17
+  1003.4694 C51H68ClN8O11+ 1 1003.4691 0.37
+PK$NUM_PEAK: 14
+PK$PEAK: m/z int. rel.int.
+  86.0964 2616688.2 77
+  150.0912 5682565 168
+  187.1231 519405.1 15
+  215.1175 2055874.6 60
+  243.1125 9367449 277
+  280.1655 849246.7 25
+  295.1654 2092697.2 61
+  301.1316 2192576 64
+  326.1506 1469555.2 43
+  420.192 33766104 999
+  467.2059 3878348.2 114
+  503.2288 3585395 106
+  537.2712 587869.9 17
+  1003.4694 3605897.2 106
+//
diff --git a/Eawag/MSBNK-MLU-ED002103.txt b/Eawag/MSBNK-MLU-ED002103.txt
new file mode 100644
index 0000000000..9a9411c8ea
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED002103.txt
@@ -0,0 +1,79 @@
+ACCESSION: MSBNK-MLU-ED002103
+RECORD_TITLE: Tutuilamide A; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], W. H. Gerwick [dtc], R. Reher [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 21
+CH$NAME: Tutuilamide A
+CH$NAME: (2S,3S)-N-[(2S,5S,8S,11R,12S,15Z,18S,21R)-2-benzyl-15-ethylidene-21-hydroxy-5-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]-2-[[(2S)-2-[[(E)-4-chloro-3-methylbut-3-enoyl]amino]propanoyl]amino]-3-methylpentanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C51H69ClN8O12
+CH$EXACT_MASS: 1020.472347
+CH$SMILES: O=C(N(C)[C@@H](CC1=CC=C(O)C=C1)C(N[C@@H](C(C)C)C2=O)=O)[C@H](CC3=CC=CC=C3)N([C@@H](CC4)O)C([C@H]4NC(/C(NC([C@@H](NC([C@H]([C@H](CC)C)NC([C@H](C)NC(C/C(C)=C/Cl)=O)=O)=O)[C@@H](C)O2)=O)=C/C)=O)=O
+CH$IUPAC: InChI=1S/C51H69ClN8O12/c1-10-29(6)42(57-44(64)30(7)53-39(62)23-28(5)26-52)47(67)58-43-31(8)72-51(71)41(27(3)4)56-46(66)37(24-33-17-19-34(61)20-18-33)59(9)50(70)38(25-32-15-13-12-14-16-32)60-40(63)22-21-36(49(60)69)55-45(65)35(11-2)54-48(43)68/h11-20,26-27,29-31,36-38,40-43,61,63H,10,21-25H2,1-9H3,(H,53,62)(H,54,68)(H,55,65)(H,56,66)(H,57,64)(H,58,67)/b28-26+,35-11-/t29-,30-,31+,36-,37-,38-,40+,41-,42-,43-/m0/s1
+CH$LINK: PUBCHEM CID:146683664
+CH$LINK: INCHIKEY CWLDDHHTMAJFMM-LKVOOIPRSA-N
+CH$LINK: CHEMSPIDER 81424470
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 70-1060
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.532 min
+MS$FOCUSED_ION: BASE_PEAK 1003.47
+MS$FOCUSED_ION: PRECURSOR_M/Z 1021.4796
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 182859524
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0fkl-2690500000-0853f07dbb55330bfe2d
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  86.0964 C5H12N+ 1 86.0964 0.13
+  120.0807 C8H10N+ 1 120.0808 -0.28
+  150.0913 C9H12NO+ 2 150.0913 -0.17
+  158.0963 C11H12N+ 1 158.0964 -1
+  167.0815 C8H11N2O2+ 2 167.0815 0.21
+  179.0815 C9H11N2O2+ 3 179.0815 -0.13
+  187.1229 C12H15N2+ 1 187.123 -0.37
+  197.1287 C10H17N2O2+ 2 197.1285 1.08
+  215.1177 C13H15N2O+ 3 215.1179 -0.81
+  243.1125 C14H15N2O2+ 5 243.1128 -1.33
+  295.1656 C12H26ClN3O3+ 7 295.1657 -0.31
+  298.1552 C17H20N3O2+ 8 298.155 0.67
+  326.1506 C4H22N8O9+ 9 326.1504 0.59
+  420.1921 C21H29ClN4O3+ 12 420.1923 -0.49
+  467.2059 C11H31N8O12+ 12 467.2056 0.67
+  503.2288 C28H31N4O5+ 12 503.2289 -0.2
+  761.3634 C37H54ClN6O9+ 15 761.3635 -0.18
+  1003.4699 C51H68ClN8O11+ 1 1003.4691 0.86
+PK$NUM_PEAK: 18
+PK$PEAK: m/z int. rel.int.
+  86.0964 7426724.5 411
+  120.0807 2289942.8 126
+  150.0913 14040411 777
+  158.0963 385438.3 21
+  167.0815 647608.4 35
+  179.0815 380632.1 21
+  187.1229 2155896.8 119
+  197.1287 193063 10
+  215.1177 6940127.5 384
+  243.1125 18047954 999
+  295.1656 3037254.8 168
+  298.1552 997636.1 55
+  326.1506 2444242 135
+  420.1921 16063111 889
+  467.2059 1943849.9 107
+  503.2288 1160820.4 64
+  761.3634 516105.3 28
+  1003.4699 325651.3 18
+//
diff --git a/Eawag/MSBNK-MLU-ED002104.txt b/Eawag/MSBNK-MLU-ED002104.txt
new file mode 100644
index 0000000000..a84730552e
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED002104.txt
@@ -0,0 +1,81 @@
+ACCESSION: MSBNK-MLU-ED002104
+RECORD_TITLE: Tutuilamide A; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], W. H. Gerwick [dtc], R. Reher [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 21
+CH$NAME: Tutuilamide A
+CH$NAME: (2S,3S)-N-[(2S,5S,8S,11R,12S,15Z,18S,21R)-2-benzyl-15-ethylidene-21-hydroxy-5-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]-2-[[(2S)-2-[[(E)-4-chloro-3-methylbut-3-enoyl]amino]propanoyl]amino]-3-methylpentanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C51H69ClN8O12
+CH$EXACT_MASS: 1020.472347
+CH$SMILES: O=C(N(C)[C@@H](CC1=CC=C(O)C=C1)C(N[C@@H](C(C)C)C2=O)=O)[C@H](CC3=CC=CC=C3)N([C@@H](CC4)O)C([C@H]4NC(/C(NC([C@@H](NC([C@H]([C@H](CC)C)NC([C@H](C)NC(C/C(C)=C/Cl)=O)=O)=O)[C@@H](C)O2)=O)=C/C)=O)=O
+CH$IUPAC: InChI=1S/C51H69ClN8O12/c1-10-29(6)42(57-44(64)30(7)53-39(62)23-28(5)26-52)47(67)58-43-31(8)72-51(71)41(27(3)4)56-46(66)37(24-33-17-19-34(61)20-18-33)59(9)50(70)38(25-32-15-13-12-14-16-32)60-40(63)22-21-36(49(60)69)55-45(65)35(11-2)54-48(43)68/h11-20,26-27,29-31,36-38,40-43,61,63H,10,21-25H2,1-9H3,(H,53,62)(H,54,68)(H,55,65)(H,56,66)(H,57,64)(H,58,67)/b28-26+,35-11-/t29-,30-,31+,36-,37-,38-,40+,41-,42-,43-/m0/s1
+CH$LINK: PUBCHEM CID:146683664
+CH$LINK: INCHIKEY CWLDDHHTMAJFMM-LKVOOIPRSA-N
+CH$LINK: CHEMSPIDER 81424470
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 70-1060
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.532 min
+MS$FOCUSED_ION: BASE_PEAK 1003.47
+MS$FOCUSED_ION: PRECURSOR_M/Z 1021.4796
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 182859524
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0v4u-2890100000-e820aa73c755c627b279
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  86.0964 C5H12N+ 1 86.0964 0.04
+  120.0808 C8H10N+ 1 120.0808 -0.02
+  150.0913 C9H12NO+ 2 150.0913 -0.38
+  158.0963 C11H12N+ 1 158.0964 -0.9
+  167.0813 C8H11N2O2+ 3 167.0815 -1.07
+  170.0961 C12H12N+ 1 170.0964 -1.75
+  179.0814 C9H11N2O2+ 3 179.0815 -0.81
+  187.1228 C12H15N2+ 1 187.123 -0.94
+  197.1281 C10H17N2O2+ 3 197.1285 -1.56
+  215.1177 C13H15N2O+ 3 215.1179 -0.95
+  243.1124 C14H15N2O2+ 5 243.1128 -1.58
+  280.1657 C14H22N3O3+ 6 280.1656 0.44
+  295.1656 C12H26ClN3O3+ 5 295.1657 -0.52
+  298.1552 C17H20N3O2+ 8 298.155 0.67
+  301.1316 C3H21N6O10+ 6 301.1314 0.65
+  308.1285 C16H21ClN2O2+ 7 308.1286 -0.4
+  420.1922 C21H29ClN4O3+ 12 420.1923 -0.27
+  467.2056 C11H31N8O12+ 12 467.2056 0.08
+  503.2287 C28H31N4O5+ 12 503.2289 -0.32
+PK$NUM_PEAK: 19
+PK$PEAK: m/z int. rel.int.
+  86.0964 11543786 572
+  120.0808 6415968 318
+  150.0913 20151000 999
+  158.0963 1329823.5 65
+  167.0813 827560.7 41
+  170.0961 427666.2 21
+  179.0814 946597.3 46
+  187.1228 4889304 242
+  197.1281 278376.8 13
+  215.1177 14130701 700
+  243.1124 18281694 906
+  280.1657 1181889.8 58
+  295.1656 2470787.8 122
+  298.1552 1835756.9 91
+  301.1316 901792.8 44
+  308.1285 1504917.4 74
+  420.1922 4454343.5 220
+  467.2056 1132279.1 56
+  503.2287 322258.6 15
+//
diff --git a/Eawag/MSBNK-MLU-ED002105.txt b/Eawag/MSBNK-MLU-ED002105.txt
new file mode 100644
index 0000000000..9a7910c1a1
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED002105.txt
@@ -0,0 +1,87 @@
+ACCESSION: MSBNK-MLU-ED002105
+RECORD_TITLE: Tutuilamide A; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], W. H. Gerwick [dtc], R. Reher [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 21
+CH$NAME: Tutuilamide A
+CH$NAME: (2S,3S)-N-[(2S,5S,8S,11R,12S,15Z,18S,21R)-2-benzyl-15-ethylidene-21-hydroxy-5-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]-2-[[(2S)-2-[[(E)-4-chloro-3-methylbut-3-enoyl]amino]propanoyl]amino]-3-methylpentanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C51H69ClN8O12
+CH$EXACT_MASS: 1020.472347
+CH$SMILES: O=C(N(C)[C@@H](CC1=CC=C(O)C=C1)C(N[C@@H](C(C)C)C2=O)=O)[C@H](CC3=CC=CC=C3)N([C@@H](CC4)O)C([C@H]4NC(/C(NC([C@@H](NC([C@H]([C@H](CC)C)NC([C@H](C)NC(C/C(C)=C/Cl)=O)=O)=O)[C@@H](C)O2)=O)=C/C)=O)=O
+CH$IUPAC: InChI=1S/C51H69ClN8O12/c1-10-29(6)42(57-44(64)30(7)53-39(62)23-28(5)26-52)47(67)58-43-31(8)72-51(71)41(27(3)4)56-46(66)37(24-33-17-19-34(61)20-18-33)59(9)50(70)38(25-32-15-13-12-14-16-32)60-40(63)22-21-36(49(60)69)55-45(65)35(11-2)54-48(43)68/h11-20,26-27,29-31,36-38,40-43,61,63H,10,21-25H2,1-9H3,(H,53,62)(H,54,68)(H,55,65)(H,56,66)(H,57,64)(H,58,67)/b28-26+,35-11-/t29-,30-,31+,36-,37-,38-,40+,41-,42-,43-/m0/s1
+CH$LINK: PUBCHEM CID:146683664
+CH$LINK: INCHIKEY CWLDDHHTMAJFMM-LKVOOIPRSA-N
+CH$LINK: CHEMSPIDER 81424470
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 70-1060
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.532 min
+MS$FOCUSED_ION: BASE_PEAK 1003.47
+MS$FOCUSED_ION: PRECURSOR_M/Z 1021.4796
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 182859524
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0g4r-2920000000-cbd8d0ff72b6543563ec
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  86.0965 C5H12N+ 1 86.0964 0.39
+  91.0541 C7H7+ 1 91.0542 -1.42
+  107.0488 C7H7O+ 1 107.0491 -3.53
+  119.0495 C8H7O+ 2 119.0491 3.19
+  120.0808 C8H10N+ 1 120.0808 0.17
+  135.0675 C8H9NO+ 1 135.0679 -2.99
+  139.0865 C7H11N2O+ 2 139.0866 -0.34
+  146.0963 C10H12N+ 1 146.0964 -1
+  150.0913 C9H12NO+ 2 150.0913 -0.17
+  152.1068 C9H14NO+ 2 152.107 -1.25
+  153.0657 C7H9N2O2+ 3 153.0659 -0.76
+  158.0964 C11H12N+ 1 158.0964 -0.22
+  160.0523 C7H11ClNO+ 2 160.0524 -0.65
+  167.0814 C8H11N2O2+ 3 167.0815 -0.52
+  170.0963 C12H12N+ 1 170.0964 -1.03
+  179.0814 C9H11N2O2+ 3 179.0815 -0.47
+  187.1229 C12H15N2+ 1 187.123 -0.62
+  195.0758 C4H12ClN6O+ 3 195.0756 1.45
+  213.1013 C13H13N2O+ 2 213.1022 -4.25
+  215.1177 C13H15N2O+ 3 215.1179 -0.95
+  243.1124 C14H15N2O2+ 5 243.1128 -1.58
+  298.1548 C17H20N3O2+ 8 298.155 -0.56
+PK$NUM_PEAK: 22
+PK$PEAK: m/z int. rel.int.
+  86.0965 12883260 632
+  91.0541 1214682.9 59
+  107.0488 282056.4 13
+  119.0495 206383.2 10
+  120.0808 20340476 999
+  135.0675 228059.1 11
+  139.0865 243060.9 11
+  146.0963 502759.9 24
+  150.0913 19505178 957
+  152.1068 419726.2 20
+  153.0657 488134.9 23
+  158.0964 5086398 249
+  160.0523 320215.8 15
+  167.0814 693578.2 34
+  170.0963 1880916.1 92
+  179.0814 1696581.1 83
+  187.1229 6353688.5 312
+  195.0758 341470.8 16
+  213.1013 332883.7 16
+  215.1177 11439834 561
+  243.1124 3235635.8 158
+  298.1548 674975.8 33
+//
diff --git a/Eawag/MSBNK-MLU-ED002106.txt b/Eawag/MSBNK-MLU-ED002106.txt
new file mode 100644
index 0000000000..ca22ff6b89
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED002106.txt
@@ -0,0 +1,101 @@
+ACCESSION: MSBNK-MLU-ED002106
+RECORD_TITLE: Tutuilamide A; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], W. H. Gerwick [dtc], R. Reher [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 21
+CH$NAME: Tutuilamide A
+CH$NAME: (2S,3S)-N-[(2S,5S,8S,11R,12S,15Z,18S,21R)-2-benzyl-15-ethylidene-21-hydroxy-5-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]-2-[[(2S)-2-[[(E)-4-chloro-3-methylbut-3-enoyl]amino]propanoyl]amino]-3-methylpentanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C51H69ClN8O12
+CH$EXACT_MASS: 1020.472347
+CH$SMILES: O=C(N(C)[C@@H](CC1=CC=C(O)C=C1)C(N[C@@H](C(C)C)C2=O)=O)[C@H](CC3=CC=CC=C3)N([C@@H](CC4)O)C([C@H]4NC(/C(NC([C@@H](NC([C@H]([C@H](CC)C)NC([C@H](C)NC(C/C(C)=C/Cl)=O)=O)=O)[C@@H](C)O2)=O)=C/C)=O)=O
+CH$IUPAC: InChI=1S/C51H69ClN8O12/c1-10-29(6)42(57-44(64)30(7)53-39(62)23-28(5)26-52)47(67)58-43-31(8)72-51(71)41(27(3)4)56-46(66)37(24-33-17-19-34(61)20-18-33)59(9)50(70)38(25-32-15-13-12-14-16-32)60-40(63)22-21-36(49(60)69)55-45(65)35(11-2)54-48(43)68/h11-20,26-27,29-31,36-38,40-43,61,63H,10,21-25H2,1-9H3,(H,53,62)(H,54,68)(H,55,65)(H,56,66)(H,57,64)(H,58,67)/b28-26+,35-11-/t29-,30-,31+,36-,37-,38-,40+,41-,42-,43-/m0/s1
+CH$LINK: PUBCHEM CID:146683664
+CH$LINK: INCHIKEY CWLDDHHTMAJFMM-LKVOOIPRSA-N
+CH$LINK: CHEMSPIDER 81424470
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 70-1060
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.532 min
+MS$FOCUSED_ION: BASE_PEAK 1003.47
+MS$FOCUSED_ION: PRECURSOR_M/Z 1021.4796
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 182859524
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0fki-2900000000-c85dd589e18e694db053
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  72.0809 C4H10N+ 1 72.0808 1.69
+  80.0496 C5H6N+ 1 80.0495 1.02
+  86.0965 C5H12N+ 1 86.0964 0.39
+  91.0542 C7H7+ 1 91.0542 -0.16
+  95.0603 C5H7N2+ 1 95.0604 -0.87
+  103.0542 C8H7+ 1 103.0542 0.15
+  107.0491 C7H7O+ 1 107.0491 -0.54
+  119.0489 C8H7O+ 1 119.0491 -1.81
+  120.0808 C8H10N+ 1 120.0808 0.3
+  121.0282 C7H5O2+ 1 121.0284 -1.45
+  121.0647 C8H9O+ 2 121.0648 -0.95
+  125.071 C6H9N2O+ 2 125.0709 0.2
+  135.0677 C8H9NO+ 2 135.0679 -0.96
+  139.086 C7H11N2O+ 1 139.0866 -3.96
+  146.0965 C10H12N+ 1 146.0964 0.35
+  150.0913 C9H12NO+ 2 150.0913 -0.17
+  151.0864 C8H11N2O+ 2 151.0866 -1.56
+  152.1068 C9H14NO+ 2 152.107 -0.95
+  153.0659 C7H9N2O2+ 2 153.0659 0.24
+  158.0964 C11H12N+ 1 158.0964 -0.32
+  160.0524 C7H11ClNO+ 2 160.0524 0.4
+  170.0963 C12H12N+ 1 170.0964 -0.76
+  179.0814 C9H11N2O2+ 3 179.0815 -0.64
+  187.1229 C12H15N2+ 1 187.123 -0.62
+  195.076 C4H12ClN6O+ 4 195.0756 2.15
+  198.0911 C13H12NO+ 2 198.0913 -1.39
+  215.1177 C13H15N2O+ 3 215.1179 -0.67
+  243.1129 C14H15N2O2+ 4 243.1128 0.31
+  308.1286 C16H21ClN2O2+ 7 308.1286 -0.1
+PK$NUM_PEAK: 29
+PK$PEAK: m/z int. rel.int.
+  72.0809 259743.7 14
+  80.0496 216257.2 11
+  86.0965 8632946 475
+  91.0542 2647456.8 145
+  95.0603 189809.3 10
+  103.0542 387403.4 21
+  107.0491 602743.8 33
+  119.0489 341762 18
+  120.0808 18118970 999
+  121.0282 222530.9 12
+  121.0647 324992.9 17
+  125.071 302441.5 16
+  135.0677 575812.8 31
+  139.086 254804.8 14
+  146.0965 464913.2 25
+  150.0913 12765758 703
+  151.0864 195329.8 10
+  152.1068 489210.8 26
+  153.0659 431008.6 23
+  158.0964 4786874.5 263
+  160.0524 206609.5 11
+  170.0963 2161233.2 119
+  179.0814 895170.4 49
+  187.1229 2195240 121
+  195.076 206627.2 11
+  198.0911 371908.1 20
+  215.1177 2667592 147
+  243.1129 329814.4 18
+  308.1286 360871.7 19
+//
diff --git a/Eawag/MSBNK-MLU-ED002107.txt b/Eawag/MSBNK-MLU-ED002107.txt
new file mode 100644
index 0000000000..83f66041b6
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED002107.txt
@@ -0,0 +1,115 @@
+ACCESSION: MSBNK-MLU-ED002107
+RECORD_TITLE: Tutuilamide A; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], W. H. Gerwick [dtc], R. Reher [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 21
+CH$NAME: Tutuilamide A
+CH$NAME: (2S,3S)-N-[(2S,5S,8S,11R,12S,15Z,18S,21R)-2-benzyl-15-ethylidene-21-hydroxy-5-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]-2-[[(2S)-2-[[(E)-4-chloro-3-methylbut-3-enoyl]amino]propanoyl]amino]-3-methylpentanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C51H69ClN8O12
+CH$EXACT_MASS: 1020.472347
+CH$SMILES: O=C(N(C)[C@@H](CC1=CC=C(O)C=C1)C(N[C@@H](C(C)C)C2=O)=O)[C@H](CC3=CC=CC=C3)N([C@@H](CC4)O)C([C@H]4NC(/C(NC([C@@H](NC([C@H]([C@H](CC)C)NC([C@H](C)NC(C/C(C)=C/Cl)=O)=O)=O)[C@@H](C)O2)=O)=C/C)=O)=O
+CH$IUPAC: InChI=1S/C51H69ClN8O12/c1-10-29(6)42(57-44(64)30(7)53-39(62)23-28(5)26-52)47(67)58-43-31(8)72-51(71)41(27(3)4)56-46(66)37(24-33-17-19-34(61)20-18-33)59(9)50(70)38(25-32-15-13-12-14-16-32)60-40(63)22-21-36(49(60)69)55-45(65)35(11-2)54-48(43)68/h11-20,26-27,29-31,36-38,40-43,61,63H,10,21-25H2,1-9H3,(H,53,62)(H,54,68)(H,55,65)(H,56,66)(H,57,64)(H,58,67)/b28-26+,35-11-/t29-,30-,31+,36-,37-,38-,40+,41-,42-,43-/m0/s1
+CH$LINK: PUBCHEM CID:146683664
+CH$LINK: INCHIKEY CWLDDHHTMAJFMM-LKVOOIPRSA-N
+CH$LINK: CHEMSPIDER 81424470
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 70-1060
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.532 min
+MS$FOCUSED_ION: BASE_PEAK 1003.47
+MS$FOCUSED_ION: PRECURSOR_M/Z 1021.4796
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 182859524
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00di-3900000000-9371babcc13d0e00826e
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  72.0808 C4H10N+ 1 72.0808 0.95
+  80.0495 C5H6N+ 1 80.0495 0.26
+  86.0965 C5H12N+ 1 86.0964 0.48
+  91.0542 C7H7+ 1 91.0542 0.25
+  95.0605 C5H7N2+ 1 95.0604 1.3
+  96.0443 C5H6NO+ 1 96.0444 -0.59
+  96.0682 C5H8N2+ 1 96.0682 0.15
+  96.0809 C6H10N+ 1 96.0808 0.91
+  103.0543 C8H7+ 1 103.0542 1.19
+  105.07 C8H9+ 1 105.0699 1.4
+  107.0493 C7H7O+ 2 107.0491 1.03
+  109.0649 C7H9O+ 2 109.0648 0.82
+  110.0601 C6H8NO+ 2 110.06 0.4
+  119.0492 C8H7O+ 2 119.0491 0.76
+  120.0808 C8H10N+ 1 120.0808 0.55
+  121.0285 C7H5O2+ 2 121.0284 0.88
+  121.0647 C8H9O+ 2 121.0648 -0.7
+  125.071 C6H9N2O+ 2 125.0709 0.5
+  132.0809 C9H10N+ 1 132.0808 0.8
+  135.0679 C8H9NO+ 2 135.0679 0.17
+  138.0914 C8H12NO+ 2 138.0913 0.08
+  139.0867 C7H11N2O+ 2 139.0866 0.54
+  146.0964 C10H12N+ 1 146.0964 -0.17
+  150.0913 C9H12NO+ 2 150.0913 0.03
+  151.0863 C8H11N2O+ 1 151.0866 -1.96
+  152.1066 C9H14NO+ 1 152.107 -2.46
+  153.0659 C7H9N2O2+ 2 153.0659 0.54
+  158.0964 C11H12N+ 1 158.0964 -0.13
+  167.0815 C8H11N2O2+ 2 167.0815 0.12
+  168.081 C12H10N+ 1 168.0808 1.19
+  170.0964 C12H12N+ 1 170.0964 -0.31
+  179.0813 C9H11N2O2+ 3 179.0815 -1.15
+  187.1229 C12H15N2+ 1 187.123 -0.29
+  198.0909 C13H12NO+ 3 198.0913 -2.23
+  213.1017 C13H13N2O+ 4 213.1022 -2.46
+  215.1178 C13H15N2O+ 3 215.1179 -0.25
+PK$NUM_PEAK: 36
+PK$PEAK: m/z int. rel.int.
+  72.0808 221729.1 14
+  80.0495 463499.2 30
+  86.0965 6385941 416
+  91.0542 5607092 365
+  95.0605 191223.5 12
+  96.0443 326258.2 21
+  96.0682 271807.8 17
+  96.0809 153317.8 10
+  103.0543 729462.1 47
+  105.07 186591.3 12
+  107.0493 1112273 72
+  109.0649 251317.8 16
+  110.0601 181002.3 11
+  119.0492 653291.5 42
+  120.0808 15305710 999
+  121.0285 306538.9 20
+  121.0647 443849.9 28
+  125.071 495916.2 32
+  132.0809 169818.2 11
+  135.0679 1004071.9 65
+  138.0914 192549.5 12
+  139.0867 302296.3 19
+  146.0964 295878.3 19
+  150.0913 8772712 572
+  151.0863 268579.1 17
+  152.1066 361618.1 23
+  153.0659 346810.2 22
+  158.0964 3367580 219
+  167.0815 230510.1 15
+  168.081 156122.6 10
+  170.0964 2422392.5 158
+  179.0813 472641.9 30
+  187.1229 519244.3 33
+  198.0909 351538.8 22
+  213.1017 252242.2 16
+  215.1178 484742.4 31
+//
diff --git a/Eawag/MSBNK-MLU-ED002108.txt b/Eawag/MSBNK-MLU-ED002108.txt
new file mode 100644
index 0000000000..7141c778bf
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED002108.txt
@@ -0,0 +1,125 @@
+ACCESSION: MSBNK-MLU-ED002108
+RECORD_TITLE: Tutuilamide A; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], W. H. Gerwick [dtc], R. Reher [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 21
+CH$NAME: Tutuilamide A
+CH$NAME: (2S,3S)-N-[(2S,5S,8S,11R,12S,15Z,18S,21R)-2-benzyl-15-ethylidene-21-hydroxy-5-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]-2-[[(2S)-2-[[(E)-4-chloro-3-methylbut-3-enoyl]amino]propanoyl]amino]-3-methylpentanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C51H69ClN8O12
+CH$EXACT_MASS: 1020.472347
+CH$SMILES: O=C(N(C)[C@@H](CC1=CC=C(O)C=C1)C(N[C@@H](C(C)C)C2=O)=O)[C@H](CC3=CC=CC=C3)N([C@@H](CC4)O)C([C@H]4NC(/C(NC([C@@H](NC([C@H]([C@H](CC)C)NC([C@H](C)NC(C/C(C)=C/Cl)=O)=O)=O)[C@@H](C)O2)=O)=C/C)=O)=O
+CH$IUPAC: InChI=1S/C51H69ClN8O12/c1-10-29(6)42(57-44(64)30(7)53-39(62)23-28(5)26-52)47(67)58-43-31(8)72-51(71)41(27(3)4)56-46(66)37(24-33-17-19-34(61)20-18-33)59(9)50(70)38(25-32-15-13-12-14-16-32)60-40(63)22-21-36(49(60)69)55-45(65)35(11-2)54-48(43)68/h11-20,26-27,29-31,36-38,40-43,61,63H,10,21-25H2,1-9H3,(H,53,62)(H,54,68)(H,55,65)(H,56,66)(H,57,64)(H,58,67)/b28-26+,35-11-/t29-,30-,31+,36-,37-,38-,40+,41-,42-,43-/m0/s1
+CH$LINK: PUBCHEM CID:146683664
+CH$LINK: INCHIKEY CWLDDHHTMAJFMM-LKVOOIPRSA-N
+CH$LINK: CHEMSPIDER 81424470
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 70-1060
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.532 min
+MS$FOCUSED_ION: BASE_PEAK 1003.47
+MS$FOCUSED_ION: PRECURSOR_M/Z 1021.4796
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 182859524
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00du-4900000000-2b489e07206969c532ae
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  84.0446 C4H6NO+ 2 84.0444 2.38
+  86.0965 C5H12N+ 1 86.0964 0.66
+  89.0153 C4H6Cl+ 1 89.0153 0.64
+  91.0543 C7H7+ 1 91.0542 0.34
+  93.0699 C7H9+ 1 93.0699 0.56
+  95.0604 C5H7N2+ 1 95.0604 -0.23
+  96.0444 C5H6NO+ 2 96.0444 0.12
+  96.0682 C5H8N2+ 1 96.0682 0.31
+  96.0808 C6H10N+ 1 96.0808 -0.12
+  103.0542 C8H7+ 1 103.0542 0.15
+  105.0698 C8H9+ 1 105.0699 -0.42
+  106.0652 C7H8N+ 1 106.0651 0.29
+  107.0492 C7H7O+ 2 107.0491 0.53
+  109.0649 C7H9O+ 2 109.0648 0.89
+  115.0542 C9H7+ 1 115.0542 0.14
+  117.0573 C8H7N+ 1 117.0573 0.39
+  118.0651 C8H8N+ 1 118.0651 -0.16
+  119.0493 C8H7O+ 2 119.0491 1.53
+  120.0808 C8H10N+ 1 120.0808 0.61
+  121.0287 C7H5O2+ 2 121.0284 2.27
+  121.0648 C8H9O+ 2 121.0648 -0.32
+  125.071 C6H9N2O+ 2 125.0709 0.81
+  130.0651 C9H8N+ 1 130.0651 -0.22
+  132.0806 C9H10N+ 1 132.0808 -1.16
+  134.06 C8H8NO+ 2 134.06 -0.2
+  135.0678 C8H9NO+ 2 135.0679 -0.17
+  138.0914 C8H12NO+ 2 138.0913 0.3
+  139.0864 C7H11N2O+ 2 139.0866 -1.21
+  144.081 C10H10N+ 1 144.0808 1.39
+  146.0965 C10H12N+ 1 146.0964 0.67
+  150.0914 C9H12NO+ 2 150.0913 0.13
+  151.0864 C8H11N2O+ 2 151.0866 -0.95
+  152.107 C9H14NO+ 2 152.107 0.15
+  153.0697 C12H9+ 1 153.0699 -1.42
+  155.0731 C11H9N+ 1 155.073 0.75
+  158.0965 C11H12N+ 1 158.0964 0.36
+  168.0807 C12H10N+ 1 168.0808 -0.53
+  170.0964 C12H12N+ 1 170.0964 -0.04
+  179.0815 C9H11N2O2+ 3 179.0815 0.21
+  187.1231 C12H15N2+ 1 187.123 0.53
+  213.1025 C13H13N2O+ 3 213.1022 1.19
+PK$NUM_PEAK: 41
+PK$PEAK: m/z int. rel.int.
+  84.0446 216390.8 15
+  86.0965 6517316.5 456
+  89.0153 195454.9 13
+  91.0543 9391282 658
+  93.0699 440866.5 30
+  95.0604 543954.6 38
+  96.0444 501209.5 35
+  96.0682 455194.8 31
+  96.0808 165048 11
+  103.0542 1465726.2 102
+  105.0698 312208.8 21
+  106.0652 196523.5 13
+  107.0492 1643471.6 115
+  109.0649 388038.5 27
+  115.0542 175927.2 12
+  117.0573 191536.9 13
+  118.0651 211029.4 14
+  119.0493 934587.8 65
+  120.0808 14253738 999
+  121.0287 496100.5 34
+  121.0648 647069.6 45
+  125.071 585919.4 41
+  130.0651 143755 10
+  132.0806 172202.4 12
+  134.06 297613.2 20
+  135.0678 2092300.5 146
+  138.0914 147019.9 10
+  139.0864 321137.4 22
+  144.081 170616.7 11
+  146.0965 192448.6 13
+  150.0914 7032496.5 492
+  151.0864 207551.8 14
+  152.107 288186.1 20
+  153.0697 403396.4 28
+  155.0731 212793.6 14
+  158.0965 2056766.9 144
+  168.0807 445015.8 31
+  170.0964 2915468.8 204
+  179.0815 264698.8 18
+  187.1231 161715.2 11
+  213.1025 202298.7 14
+//
diff --git a/Eawag/MSBNK-MLU-ED002109.txt b/Eawag/MSBNK-MLU-ED002109.txt
new file mode 100644
index 0000000000..784e2102ea
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED002109.txt
@@ -0,0 +1,127 @@
+ACCESSION: MSBNK-MLU-ED002109
+RECORD_TITLE: Tutuilamide A; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], W. H. Gerwick [dtc], R. Reher [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 21
+CH$NAME: Tutuilamide A
+CH$NAME: (2S,3S)-N-[(2S,5S,8S,11R,12S,15Z,18S,21R)-2-benzyl-15-ethylidene-21-hydroxy-5-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]-2-[[(2S)-2-[[(E)-4-chloro-3-methylbut-3-enoyl]amino]propanoyl]amino]-3-methylpentanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C51H69ClN8O12
+CH$EXACT_MASS: 1020.472347
+CH$SMILES: O=C(N(C)[C@@H](CC1=CC=C(O)C=C1)C(N[C@@H](C(C)C)C2=O)=O)[C@H](CC3=CC=CC=C3)N([C@@H](CC4)O)C([C@H]4NC(/C(NC([C@@H](NC([C@H]([C@H](CC)C)NC([C@H](C)NC(C/C(C)=C/Cl)=O)=O)=O)[C@@H](C)O2)=O)=C/C)=O)=O
+CH$IUPAC: InChI=1S/C51H69ClN8O12/c1-10-29(6)42(57-44(64)30(7)53-39(62)23-28(5)26-52)47(67)58-43-31(8)72-51(71)41(27(3)4)56-46(66)37(24-33-17-19-34(61)20-18-33)59(9)50(70)38(25-32-15-13-12-14-16-32)60-40(63)22-21-36(49(60)69)55-45(65)35(11-2)54-48(43)68/h11-20,26-27,29-31,36-38,40-43,61,63H,10,21-25H2,1-9H3,(H,53,62)(H,54,68)(H,55,65)(H,56,66)(H,57,64)(H,58,67)/b28-26+,35-11-/t29-,30-,31+,36-,37-,38-,40+,41-,42-,43-/m0/s1
+CH$LINK: PUBCHEM CID:146683664
+CH$LINK: INCHIKEY CWLDDHHTMAJFMM-LKVOOIPRSA-N
+CH$LINK: CHEMSPIDER 81424470
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 70-1060
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.532 min
+MS$FOCUSED_ION: BASE_PEAK 1003.47
+MS$FOCUSED_ION: PRECURSOR_M/Z 1021.4796
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 182859524
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0fdx-5900000000-5b92ff1da00858093a0e
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  72.0809 C4H10N+ 1 72.0808 1.58
+  80.0495 C5H6N+ 1 80.0495 0.36
+  84.0443 C4H6NO+ 1 84.0444 -0.97
+  86.0965 C5H12N+ 1 86.0964 0.75
+  89.0154 C4H6Cl+ 1 89.0153 1.41
+  91.0543 C7H7+ 1 91.0542 0.67
+  93.0699 C7H9+ 1 93.0699 0.56
+  95.0605 C5H7N2+ 1 95.0604 1.14
+  96.0445 C5H6NO+ 2 96.0444 0.68
+  96.0683 C5H8N2+ 1 96.0682 1.26
+  96.0807 C6H10N+ 1 96.0808 -0.28
+  103.0543 C8H7+ 1 103.0542 0.45
+  105.0699 C8H9+ 1 105.0699 0.67
+  106.0651 C7H8N+ 1 106.0651 0.15
+  107.0492 C7H7O+ 2 107.0491 0.67
+  109.0649 C7H9O+ 2 109.0648 1.24
+  110.0603 C6H8NO+ 2 110.06 2.14
+  115.0543 C9H7+ 1 115.0542 0.47
+  117.0576 C8H7N+ 1 117.0573 2.86
+  118.0651 C8H8N+ 1 118.0651 0.09
+  119.0492 C8H7O+ 2 119.0491 0.44
+  120.0808 C8H10N+ 1 120.0808 0.61
+  121.0285 C7H5O2+ 2 121.0284 0.82
+  121.0649 C8H9O+ 2 121.0648 1.06
+  125.071 C6H9N2O+ 2 125.0709 0.5
+  128.062 C10H8+ 1 128.0621 -0.24
+  129.0698 C10H9+ 1 129.0699 -0.89
+  130.065 C9H8N+ 1 130.0651 -0.92
+  132.0807 C9H10N+ 1 132.0808 -0.7
+  134.06 C8H8NO+ 2 134.06 -0.66
+  135.0679 C8H9NO+ 2 135.0679 -0.05
+  138.0911 C8H12NO+ 1 138.0913 -1.8
+  139.0866 C7H11N2O+ 2 139.0866 0.32
+  150.0914 C9H12NO+ 2 150.0913 0.13
+  151.0865 C8H11N2O+ 2 151.0866 -0.55
+  152.1069 C9H14NO+ 2 152.107 -0.85
+  153.0699 C12H9+ 1 153.0699 0.28
+  155.0729 C11H9N+ 1 155.073 -0.43
+  158.0965 C11H12N+ 1 158.0964 0.74
+  168.0807 C12H10N+ 1 168.0808 -0.35
+  170.0964 C12H12N+ 1 170.0964 -0.04
+  198.0909 C13H12NO+ 3 198.0913 -2.31
+PK$NUM_PEAK: 42
+PK$PEAK: m/z int. rel.int.
+  72.0809 394969.8 32
+  80.0495 563152.7 46
+  84.0443 215875.3 17
+  86.0965 4505634.5 371
+  89.0154 178767.9 14
+  91.0543 12122240 999
+  93.0699 531032.7 43
+  95.0605 792580.1 65
+  96.0445 813597.9 67
+  96.0683 272470.6 22
+  96.0807 196195.7 16
+  103.0543 2490179.5 205
+  105.0699 347493.2 28
+  106.0651 168362.6 13
+  107.0492 2136901 176
+  109.0649 450353.5 37
+  110.0603 548406.4 45
+  115.0543 259515.9 21
+  117.0576 281352.7 23
+  118.0651 344473.6 28
+  119.0492 993019.1 81
+  120.0808 10128083 834
+  121.0285 411006.6 33
+  121.0649 699910.6 57
+  125.071 483398.8 39
+  128.062 380353.1 31
+  129.0698 267969.8 22
+  130.065 191244.2 15
+  132.0807 205741.9 16
+  134.06 332343.9 27
+  135.0679 2603975.5 214
+  138.0911 177002.9 14
+  139.0866 156032.9 12
+  150.0914 3807841 313
+  151.0865 141445.8 11
+  152.1069 181247 14
+  153.0699 497953.5 41
+  155.0729 294391.9 24
+  158.0965 750224.4 61
+  168.0807 532568.4 43
+  170.0964 1836408.8 151
+  198.0909 121374.7 10
+//
diff --git a/Eawag/MSBNK-MLU-ED002151.txt b/Eawag/MSBNK-MLU-ED002151.txt
new file mode 100644
index 0000000000..095cb3c2cd
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED002151.txt
@@ -0,0 +1,51 @@
+ACCESSION: MSBNK-MLU-ED002151
+RECORD_TITLE: Tutuilamide A; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], W. H. Gerwick [dtc], R. Reher [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 21
+CH$NAME: Tutuilamide A
+CH$NAME: (2S,3S)-N-[(2S,5S,8S,11R,12S,15Z,18S,21R)-2-benzyl-15-ethylidene-21-hydroxy-5-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]-2-[[(2S)-2-[[(E)-4-chloro-3-methylbut-3-enoyl]amino]propanoyl]amino]-3-methylpentanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C51H69ClN8O12
+CH$EXACT_MASS: 1020.472347
+CH$SMILES: O=C(N(C)[C@@H](CC1=CC=C(O)C=C1)C(N[C@@H](C(C)C)C2=O)=O)[C@H](CC3=CC=CC=C3)N([C@@H](CC4)O)C([C@H]4NC(/C(NC([C@@H](NC([C@H]([C@H](CC)C)NC([C@H](C)NC(C/C(C)=C/Cl)=O)=O)=O)[C@@H](C)O2)=O)=C/C)=O)=O
+CH$IUPAC: InChI=1S/C51H69ClN8O12/c1-10-29(6)42(57-44(64)30(7)53-39(62)23-28(5)26-52)47(67)58-43-31(8)72-51(71)41(27(3)4)56-46(66)37(24-33-17-19-34(61)20-18-33)59(9)50(70)38(25-32-15-13-12-14-16-32)60-40(63)22-21-36(49(60)69)55-45(65)35(11-2)54-48(43)68/h11-20,26-27,29-31,36-38,40-43,61,63H,10,21-25H2,1-9H3,(H,53,62)(H,54,68)(H,55,65)(H,56,66)(H,57,64)(H,58,67)/b28-26+,35-11-/t29-,30-,31+,36-,37-,38-,40+,41-,42-,43-/m0/s1
+CH$LINK: PUBCHEM CID:146683664
+CH$LINK: INCHIKEY CWLDDHHTMAJFMM-LKVOOIPRSA-N
+CH$LINK: CHEMSPIDER 81424470
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 70-1060
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.511 min
+MS$FOCUSED_ION: BASE_PEAK 1019.464
+MS$FOCUSED_ION: PRECURSOR_M/Z 1019.4651
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 573453761.44
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-014i-9000000100-cb43f37d21a0915d2eee
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  694.3581 C48H51ClO2- 18 694.3583 -0.28
+  730.334 C35H49ClN7O8- 17 730.3337 0.49
+  983.4895 C51H67N8O12- 1 983.4884 1.09
+  1019.4657 C51H68ClN8O12- 1 1019.4651 0.64
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  694.3581 11286071 43
+  730.334 29860646 115
+  983.4895 9033468 34
+  1019.4657 258450688 999
+//
diff --git a/Eawag/MSBNK-MLU-ED002152.txt b/Eawag/MSBNK-MLU-ED002152.txt
new file mode 100644
index 0000000000..5d76c45a26
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED002152.txt
@@ -0,0 +1,67 @@
+ACCESSION: MSBNK-MLU-ED002152
+RECORD_TITLE: Tutuilamide A; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], W. H. Gerwick [dtc], R. Reher [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 21
+CH$NAME: Tutuilamide A
+CH$NAME: (2S,3S)-N-[(2S,5S,8S,11R,12S,15Z,18S,21R)-2-benzyl-15-ethylidene-21-hydroxy-5-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]-2-[[(2S)-2-[[(E)-4-chloro-3-methylbut-3-enoyl]amino]propanoyl]amino]-3-methylpentanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C51H69ClN8O12
+CH$EXACT_MASS: 1020.472347
+CH$SMILES: O=C(N(C)[C@@H](CC1=CC=C(O)C=C1)C(N[C@@H](C(C)C)C2=O)=O)[C@H](CC3=CC=CC=C3)N([C@@H](CC4)O)C([C@H]4NC(/C(NC([C@@H](NC([C@H]([C@H](CC)C)NC([C@H](C)NC(C/C(C)=C/Cl)=O)=O)=O)[C@@H](C)O2)=O)=C/C)=O)=O
+CH$IUPAC: InChI=1S/C51H69ClN8O12/c1-10-29(6)42(57-44(64)30(7)53-39(62)23-28(5)26-52)47(67)58-43-31(8)72-51(71)41(27(3)4)56-46(66)37(24-33-17-19-34(61)20-18-33)59(9)50(70)38(25-32-15-13-12-14-16-32)60-40(63)22-21-36(49(60)69)55-45(65)35(11-2)54-48(43)68/h11-20,26-27,29-31,36-38,40-43,61,63H,10,21-25H2,1-9H3,(H,53,62)(H,54,68)(H,55,65)(H,56,66)(H,57,64)(H,58,67)/b28-26+,35-11-/t29-,30-,31+,36-,37-,38-,40+,41-,42-,43-/m0/s1
+CH$LINK: PUBCHEM CID:146683664
+CH$LINK: INCHIKEY CWLDDHHTMAJFMM-LKVOOIPRSA-N
+CH$LINK: CHEMSPIDER 81424470
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 70-1060
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.511 min
+MS$FOCUSED_ION: BASE_PEAK 1019.464
+MS$FOCUSED_ION: PRECURSOR_M/Z 1019.4651
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 573453761.44
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-014i-9000001101-4ac84e143a903a09b5cd
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  77.1535 H19N3O- 1 77.1534 1.75
+  195.0761 C3H16ClN2O5- 3 195.0753 3.83
+  373.1877 C15H32ClNO7- 9 373.1873 1
+  383.1717 C16H30ClNO7- 7 383.1716 0.27
+  430.2089 C17H35ClN2O8- 9 430.2087 0.3
+  535.2587 C17H40ClN8O9- 12 535.2612 -4.77
+  636.3033 C47H40O2- 16 636.3034 -0.14
+  676.3463 C34H50N3O11- 19 676.3451 1.84
+  730.334 C35H49ClN7O8- 17 730.3337 0.49
+  903.4622 C46H63N8O11- 4 903.4622 -0.03
+  983.4883 C51H67N8O12- 1 983.4884 -0.09
+  1019.4654 C51H68ClN8O12- 1 1019.4651 0.28
+PK$NUM_PEAK: 12
+PK$PEAK: m/z int. rel.int.
+  77.1535 1664320.1 10
+  195.0761 3082478.8 19
+  373.1877 2652809.8 16
+  383.1717 2481036 15
+  430.2089 1902548.6 12
+  535.2587 2317009.5 14
+  636.3033 16308753 103
+  676.3463 2470470 15
+  730.334 25778588 163
+  903.4622 2742414.8 17
+  983.4883 20210676 128
+  1019.4654 157197840 999
+//
diff --git a/Eawag/MSBNK-MLU-ED002153.txt b/Eawag/MSBNK-MLU-ED002153.txt
new file mode 100644
index 0000000000..54ca6b21b2
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED002153.txt
@@ -0,0 +1,127 @@
+ACCESSION: MSBNK-MLU-ED002153
+RECORD_TITLE: Tutuilamide A; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], W. H. Gerwick [dtc], R. Reher [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 21
+CH$NAME: Tutuilamide A
+CH$NAME: (2S,3S)-N-[(2S,5S,8S,11R,12S,15Z,18S,21R)-2-benzyl-15-ethylidene-21-hydroxy-5-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]-2-[[(2S)-2-[[(E)-4-chloro-3-methylbut-3-enoyl]amino]propanoyl]amino]-3-methylpentanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C51H69ClN8O12
+CH$EXACT_MASS: 1020.472347
+CH$SMILES: O=C(N(C)[C@@H](CC1=CC=C(O)C=C1)C(N[C@@H](C(C)C)C2=O)=O)[C@H](CC3=CC=CC=C3)N([C@@H](CC4)O)C([C@H]4NC(/C(NC([C@@H](NC([C@H]([C@H](CC)C)NC([C@H](C)NC(C/C(C)=C/Cl)=O)=O)=O)[C@@H](C)O2)=O)=C/C)=O)=O
+CH$IUPAC: InChI=1S/C51H69ClN8O12/c1-10-29(6)42(57-44(64)30(7)53-39(62)23-28(5)26-52)47(67)58-43-31(8)72-51(71)41(27(3)4)56-46(66)37(24-33-17-19-34(61)20-18-33)59(9)50(70)38(25-32-15-13-12-14-16-32)60-40(63)22-21-36(49(60)69)55-45(65)35(11-2)54-48(43)68/h11-20,26-27,29-31,36-38,40-43,61,63H,10,21-25H2,1-9H3,(H,53,62)(H,54,68)(H,55,65)(H,56,66)(H,57,64)(H,58,67)/b28-26+,35-11-/t29-,30-,31+,36-,37-,38-,40+,41-,42-,43-/m0/s1
+CH$LINK: PUBCHEM CID:146683664
+CH$LINK: INCHIKEY CWLDDHHTMAJFMM-LKVOOIPRSA-N
+CH$LINK: CHEMSPIDER 81424470
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 70-1060
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.511 min
+MS$FOCUSED_ION: BASE_PEAK 1019.464
+MS$FOCUSED_ION: PRECURSOR_M/Z 1019.4651
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 573453761.44
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-015l-6333109003-ce912271b3ed6867f1e6
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  77.1532 H19N3O- 1 77.1534 -1.91
+  99.0184 CHN5O- 1 99.0187 -3.06
+  116.0703 C3H8N4O- 2 116.0704 -0.76
+  139.05 C4H5N5O- 2 139.05 0.54
+  142.0498 C4H6N4O2- 2 142.0496 0.97
+  152.0703 C6H8N4O- 2 152.0704 -0.23
+  155.0445 C4H5N5O2- 2 155.0449 -2.6
+  156.0761 C4H8N6O- 2 156.0765 -2.39
+  160.0749 C8H8N4- 3 160.0754 -3.71
+  191.081 C8H9N5O- 3 191.0813 -1.37
+  195.0759 C3H16ClN2O5- 3 195.0753 3.2
+  200.1382 C7H16N6O- 3 200.1391 -4.38
+  203.0802 C5H16ClN2O4- 3 203.0804 -1.09
+  212.1021 C3H19ClN3O5- 4 212.1019 1.31
+  218.1166 C11H14N4O- 4 218.1173 -3.38
+  234.123 C10H14N6O- 5 234.1235 -2.02
+  235.1061 C6H20ClN2O5- 4 235.1066 -2.16
+  242.0808 C12H10N4O2- 4 242.0809 -0.4
+  260.1026 C11H12N6O2- 5 260.1027 -0.46
+  261.0865 C11H11N5O3- 5 261.0867 -0.76
+  262.107 C12H14N4O3- 6 262.1071 -0.5
+  272.1382 C12H20N2O5- 4 272.1378 1.52
+  278.1132 C11H14N6O3- 5 278.1133 -0.22
+  280.1653 C12H20N6O2- 6 280.1653 -0.04
+  293.1495 C13H19N5O3- 4 293.1493 0.61
+  323.1392 C14H20ClN6O- 8 323.1393 -0.19
+  360.1565 C18H22N3O5- 8 360.1565 -0.12
+  383.172 C16H30ClNO7- 9 383.1716 0.99
+  394.1878 C17H31ClN2O6- 7 394.1876 0.46
+  395.1718 C17H30ClNO7- 7 395.1716 0.52
+  401.1825 C16H32ClNO8- 9 401.1822 0.81
+  423.1924 C24H27N2O5- 11 423.1925 -0.3
+  430.2092 C17H35ClN2O8- 7 430.2087 1.08
+  523.2178 C25H29N7O6- 14 523.2185 -1.29
+  618.2914 C45H36N3- 16 618.2915 -0.14
+  636.3038 C47H40O2- 16 636.3034 0.63
+  676.3471 C34H50N3O11- 18 676.3451 2.92
+  694.3581 C48H51ClO2- 18 694.3583 -0.37
+  730.3338 C35H49ClN7O8- 17 730.3337 0.16
+  903.4615 C46H63N8O11- 3 903.4622 -0.77
+  983.4884 C51H67N8O12- 1 983.4884 0.04
+  1019.466 C51H68ClN8O12- 1 1019.4651 0.94
+PK$NUM_PEAK: 42
+PK$PEAK: m/z int. rel.int.
+  77.1532 1161273.9 28
+  99.0184 728811.1 17
+  116.0703 1572800.9 38
+  139.05 2918111.2 70
+  142.0498 2198275.8 53
+  152.0703 1762722 42
+  155.0445 502646.5 12
+  156.0761 431996 10
+  160.0749 634794.5 15
+  191.081 1034379.4 25
+  195.0759 8828915 213
+  200.1382 490313.5 11
+  203.0802 912392.6 22
+  212.1021 784445.2 19
+  218.1166 463531.6 11
+  234.123 1044399 25
+  235.1061 440439.4 10
+  242.0808 966831.9 23
+  260.1026 1688126.9 40
+  261.0865 2637304.8 63
+  262.107 553496.7 13
+  272.1382 972923.7 23
+  278.1132 850480.9 20
+  280.1653 3973143 96
+  293.1495 6335165.5 153
+  323.1392 2561151.2 62
+  360.1565 1161791.1 28
+  383.172 4507662.5 109
+  394.1878 5010928.5 121
+  395.1718 7247355.5 175
+  401.1825 3078773.8 74
+  423.1924 1633360.8 39
+  430.2092 4429420 107
+  523.2178 2325024.8 56
+  618.2914 940656.9 22
+  636.3038 36221660 877
+  676.3471 2633609.2 63
+  694.3581 18421304 446
+  730.3338 5585154.5 135
+  903.4615 4233164.5 102
+  983.4884 15847827 383
+  1019.466 41244188 999
+//
diff --git a/Eawag/MSBNK-MLU-ED002154.txt b/Eawag/MSBNK-MLU-ED002154.txt
new file mode 100644
index 0000000000..0f516ce1c2
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED002154.txt
@@ -0,0 +1,221 @@
+ACCESSION: MSBNK-MLU-ED002154
+RECORD_TITLE: Tutuilamide A; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], W. H. Gerwick [dtc], R. Reher [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 21
+CH$NAME: Tutuilamide A
+CH$NAME: (2S,3S)-N-[(2S,5S,8S,11R,12S,15Z,18S,21R)-2-benzyl-15-ethylidene-21-hydroxy-5-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]-2-[[(2S)-2-[[(E)-4-chloro-3-methylbut-3-enoyl]amino]propanoyl]amino]-3-methylpentanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C51H69ClN8O12
+CH$EXACT_MASS: 1020.472347
+CH$SMILES: O=C(N(C)[C@@H](CC1=CC=C(O)C=C1)C(N[C@@H](C(C)C)C2=O)=O)[C@H](CC3=CC=CC=C3)N([C@@H](CC4)O)C([C@H]4NC(/C(NC([C@@H](NC([C@H]([C@H](CC)C)NC([C@H](C)NC(C/C(C)=C/Cl)=O)=O)=O)[C@@H](C)O2)=O)=C/C)=O)=O
+CH$IUPAC: InChI=1S/C51H69ClN8O12/c1-10-29(6)42(57-44(64)30(7)53-39(62)23-28(5)26-52)47(67)58-43-31(8)72-51(71)41(27(3)4)56-46(66)37(24-33-17-19-34(61)20-18-33)59(9)50(70)38(25-32-15-13-12-14-16-32)60-40(63)22-21-36(49(60)69)55-45(65)35(11-2)54-48(43)68/h11-20,26-27,29-31,36-38,40-43,61,63H,10,21-25H2,1-9H3,(H,53,62)(H,54,68)(H,55,65)(H,56,66)(H,57,64)(H,58,67)/b28-26+,35-11-/t29-,30-,31+,36-,37-,38-,40+,41-,42-,43-/m0/s1
+CH$LINK: PUBCHEM CID:146683664
+CH$LINK: INCHIKEY CWLDDHHTMAJFMM-LKVOOIPRSA-N
+CH$LINK: CHEMSPIDER 81424470
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 70-1060
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.511 min
+MS$FOCUSED_ION: BASE_PEAK 1019.464
+MS$FOCUSED_ION: PRECURSOR_M/Z 1019.4651
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 573453761.44
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0079-1923103000-4cab2f027384417f1aa8
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  73.0391 H3N5- 1 73.0394 -3.83
+  84.0076 CN4O- 1 84.0078 -1.7
+  93.033 C4H3N3- 1 93.0332 -2.27
+  96.0442 C3H4N4- 1 96.0441 0.3
+  99.0187 CHN5O- 1 99.0187 0.56
+  99.0548 C2H5N5- 1 99.055 -2.15
+  100.0388 C2H4N4O- 1 100.0391 -2.26
+  107.0489 C5H5N3- 1 107.0489 0.21
+  110.0235 C3H2N4O- 2 110.0234 0.76
+  111.0184 C2HN5O- 1 111.0187 -2.2
+  111.055 C3H5N5- 1 111.055 -0.56
+  112.0025 C2N4O2- 1 112.0027 -1.74
+  112.0389 C3H4N4O- 1 112.0391 -1.47
+  113.0342 C2H3N5O- 1 113.0343 -0.69
+  116.0704 C3H8N4O- 2 116.0704 0.23
+  119.0489 C6H5N3- 1 119.0489 0.23
+  121.0392 C4H3N5- 1 121.0394 -1.28
+  122.0233 C4H2N4O- 2 122.0234 -0.77
+  124.0755 C5H8N4- 1 124.0754 0.43
+  125.0343 C3H3N5O- 2 125.0343 -0.38
+  127.0501 C3H5N5O- 2 127.05 1.38
+  134.0362 C6H4N3O- 2 134.036 1.41
+  138.0185 C4H2N4O2- 2 138.0183 1.08
+  139.05 C4H5N5O- 2 139.05 0.65
+  139.0864 C5H9N5- 1 139.0863 0.15
+  141.0659 CH10ClN6- 2 141.0661 -1.39
+  141.1017 C5H11N5- 2 141.102 -2.32
+  142.0497 C4H6N4O2- 2 142.0496 0.44
+  145.0276 C7H3N3O- 2 145.0282 -4.03
+  147.0439 C7H5N3O- 2 147.0438 0.38
+  150.0547 C6H6N4O- 2 150.0547 -0.11
+  151.0495 C5H5N5O- 2 151.05 -2.78
+  151.0864 C6H9N5- 1 151.0863 0.39
+  151.1226 C3H20ClN2O2- 1 151.1219 4.85
+  152.0703 C6H8N4O- 2 152.0704 -0.23
+  155.0447 C4H5N5O2- 3 155.0449 -1.03
+  155.0812 C5H9N5O- 3 155.0813 -0.5
+  156.0766 C4H8N6O- 3 156.0765 0.64
+  160.0753 C8H8N4- 2 160.0754 -0.75
+  162.0544 C7H6N4O- 2 162.0547 -2.2
+  165.0653 C6H7N5O- 3 165.0656 -1.64
+  166.0608 C5H6N6O- 4 166.0609 -0.19
+  166.0858 C7H10N4O- 3 166.086 -1.51
+  167.0812 C6H9N5O- 3 167.0813 -0.25
+  169.0969 C6H11N5O- 2 169.0969 0.01
+  174.0905 C5H17ClNO3- 3 174.0902 1.31
+  174.1036 C10H12N3- 2 174.1037 -0.17
+  178.0483 C5H4N7O- 5 178.0483 -0.1
+  178.0616 C4H15ClO5- 4 178.0613 1.66
+  179.081 C7H9N5O- 3 179.0813 -1.21
+  180.065 C7H8N4O2- 4 180.0653 -1.65
+  182.0918 C6H10N6O- 4 182.0922 -1.94
+  186.0546 C9H6N4O- 3 186.0547 -0.7
+  187.1075 C6H13N5O2- 3 187.1075 0.21
+  190.0974 C8H10N6- 2 190.0972 0.66
+  191.0815 C8H9N5O- 2 191.0813 1.26
+  195.076 C3H16ClN2O5- 3 195.0753 3.43
+  200.1387 C7H16N6O- 5 200.1391 -2.24
+  203.0811 C5H16ClN2O4- 3 203.0804 3.57
+  205.0604 C4H14ClN2O5- 3 205.0597 3.75
+  212.1028 C7H12N6O2- 4 212.1027 0.18
+  216.1012 C7H19ClNO4- 5 216.1008 1.93
+  218.1177 C11H14N4O- 3 218.1173 1.73
+  234.0864 C5H17ClN3O5- 5 234.0862 0.87
+  234.1234 C10H14N6O- 4 234.1235 -0.06
+  235.1077 C6H20ClN2O5- 4 235.1066 4.59
+  240.098 C8H12N6O3- 4 240.0976 1.69
+  246.1229 C7H21ClN3O4- 5 246.1226 1.33
+  261.0865 C11H11N5O3- 5 261.0867 -0.99
+  262.1077 C12H14N4O3- 5 262.1071 2.17
+  262.1544 C12H18N6O- 5 262.1548 -1.36
+  272.1035 C14H14N3O3- 6 272.1041 -1.91
+  272.1391 C12H20N2O5- 6 272.1378 4.77
+  273.1605 CH27N3O12- 6 273.16 1.68
+  278.1131 C11H14N6O3- 5 278.1133 -0.55
+  323.1393 C14H20ClN6O- 8 323.1393 0
+  345.1564 C13H28ClNO7- 6 345.156 1.15
+  373.1875 C15H32ClNO7- 7 373.1873 0.51
+  383.1717 C16H30ClNO7- 7 383.1716 0.27
+  395.1718 C17H30ClNO7- 8 395.1716 0.37
+  401.1822 C16H32ClNO8- 8 401.1822 0.05
+  423.1928 C24H27N2O5- 11 423.1925 0.57
+  430.2088 C17H35ClN2O8- 8 430.2087 0.09
+  523.2181 C25H29N7O6- 13 523.2185 -0.71
+  636.3037 C47H40O2- 16 636.3034 0.53
+  694.3582 C48H51ClO2- 18 694.3583 -0.1
+  903.4623 C46H63N8O11- 5 903.4622 0.11
+  983.4892 C51H67N8O12- 1 983.4884 0.78
+  1019.4665 C51H68ClN8O12- 1 1019.4651 1.36
+PK$NUM_PEAK: 89
+PK$PEAK: m/z int. rel.int.
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+  401.1822 3529611.5 165
+  423.1928 2793676.5 130
+  430.2088 3581664 167
+  523.2181 2445383.5 114
+  636.3037 21307910 999
+  694.3582 2837932.8 133
+  903.4623 735392.1 34
+  983.4892 2007096.8 94
+  1019.4665 2251333.5 105
+//
diff --git a/Eawag/MSBNK-MLU-ED002155.txt b/Eawag/MSBNK-MLU-ED002155.txt
new file mode 100644
index 0000000000..5952dea83b
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED002155.txt
@@ -0,0 +1,281 @@
+ACCESSION: MSBNK-MLU-ED002155
+RECORD_TITLE: Tutuilamide A; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], W. H. Gerwick [dtc], R. Reher [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 21
+CH$NAME: Tutuilamide A
+CH$NAME: (2S,3S)-N-[(2S,5S,8S,11R,12S,15Z,18S,21R)-2-benzyl-15-ethylidene-21-hydroxy-5-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]-2-[[(2S)-2-[[(E)-4-chloro-3-methylbut-3-enoyl]amino]propanoyl]amino]-3-methylpentanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C51H69ClN8O12
+CH$EXACT_MASS: 1020.472347
+CH$SMILES: O=C(N(C)[C@@H](CC1=CC=C(O)C=C1)C(N[C@@H](C(C)C)C2=O)=O)[C@H](CC3=CC=CC=C3)N([C@@H](CC4)O)C([C@H]4NC(/C(NC([C@@H](NC([C@H]([C@H](CC)C)NC([C@H](C)NC(C/C(C)=C/Cl)=O)=O)=O)[C@@H](C)O2)=O)=C/C)=O)=O
+CH$IUPAC: InChI=1S/C51H69ClN8O12/c1-10-29(6)42(57-44(64)30(7)53-39(62)23-28(5)26-52)47(67)58-43-31(8)72-51(71)41(27(3)4)56-46(66)37(24-33-17-19-34(61)20-18-33)59(9)50(70)38(25-32-15-13-12-14-16-32)60-40(63)22-21-36(49(60)69)55-45(65)35(11-2)54-48(43)68/h11-20,26-27,29-31,36-38,40-43,61,63H,10,21-25H2,1-9H3,(H,53,62)(H,54,68)(H,55,65)(H,56,66)(H,57,64)(H,58,67)/b28-26+,35-11-/t29-,30-,31+,36-,37-,38-,40+,41-,42-,43-/m0/s1
+CH$LINK: PUBCHEM CID:146683664
+CH$LINK: INCHIKEY CWLDDHHTMAJFMM-LKVOOIPRSA-N
+CH$LINK: CHEMSPIDER 81424470
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 70-1060
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.511 min
+MS$FOCUSED_ION: BASE_PEAK 1019.464
+MS$FOCUSED_ION: PRECURSOR_M/Z 1019.4651
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 573453761.44
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-014u-1920000000-9d1eac319ebb2ca709a8
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  73.0394 H3N5- 1 73.0394 -0.28
+  82.0285 C2H2N4- 1 82.0285 0.1
+  83.0237 CHN5- 1 83.0237 -0.04
+  84.0078 CN4O- 1 84.0078 0.39
+  85.0393 CH3N5- 1 85.0394 -0.58
+  87.055 CH5N5- 1 87.055 -1.01
+  93.033 C4H3N3- 1 93.0332 -2.43
+  94.0285 C3H2N4- 1 94.0285 -0.37
+  95.0236 C2HN5- 1 95.0237 -1
+  96.0441 C3H4N4- 1 96.0441 -0.73
+  97.0391 C2H3N5- 1 97.0394 -3.32
+  99.0186 CHN5O- 1 99.0187 -0.21
+  99.055 C2H5N5- 1 99.055 -0.53
+  100.0392 C2H4N4O- 1 100.0391 1.02
+  101.0344 CH3N5O- 1 101.0343 0.56
+  106.0411 C5H4N3- 1 106.0411 0.26
+  107.0488 C5H5N3- 1 107.0489 -1.15
+  109.0392 C3H3N5- 1 109.0394 -1.72
+  110.0236 C3H2N4O- 2 110.0234 1.53
+  111.0187 C2HN5O- 1 111.0187 0
+  111.055 C3H5N5- 1 111.055 -0.77
+  112.0266 C2H2N5O- 1 112.0265 1
+  112.0387 C3H4N4O- 1 112.0391 -2.77
+  112.0756 C4H8N4- 1 112.0754 0.97
+  113.0345 C2H3N5O- 1 113.0343 1.81
+  113.0705 C3H7N5- 1 113.0707 -1.57
+  116.0704 C3H8N4O- 2 116.0704 0.16
+  119.0489 C6H5N3- 1 119.0489 0.03
+  121.0394 C4H3N5- 1 121.0394 0.3
+  122.0231 C4H2N4O- 2 122.0234 -2.46
+  122.06 C5H6N4- 1 122.0598 1.78
+  123.0549 C4H5N5- 1 123.055 -1.11
+  124.0756 C5H8N4- 1 124.0754 1.23
+  125.0343 C3H3N5O- 2 125.0343 -0.13
+  125.0706 C4H7N5- 1 125.0707 -0.57
+  127.0501 C3H5N5O- 2 127.05 0.84
+  129.102 C4H11N5- 1 129.102 0.34
+  130.0606 C2H6N6O- 1 130.0609 -1.84
+  134.0362 C6H4N3O- 2 134.036 1.64
+  135.0549 C5H5N5- 1 135.055 -1.13
+  137.0342 C4H3N5O- 2 137.0343 -0.91
+  137.0707 C5H7N5- 1 137.0707 0.36
+  138.0183 C4H2N4O2- 2 138.0183 -0.02
+  138.0422 C4H4N5O- 2 138.0421 0.48
+  138.0659 C4H6N6- 2 138.0659 -0.11
+  139.05 C4H5N5O- 2 139.05 0.65
+  139.0862 C5H9N5- 1 139.0863 -0.95
+  141.0654 C4H7N5O- 3 141.0656 -1.18
+  141.1021 C5H11N5- 1 141.102 0.6
+  142.0497 C4H6N4O2- 2 142.0496 0.44
+  143.1177 C5H13N5- 1 143.1176 0.07
+  147.0439 C7H5N3O- 2 147.0438 0.89
+  148.0755 C7H8N4- 1 148.0754 0.06
+  149.0708 C6H7N5- 1 149.0707 0.84
+  150.0546 C6H6N4O- 2 150.0547 -0.62
+  151.05 C5H5N5O- 2 151.05 0.15
+  151.0866 C6H9N5- 1 151.0863 1.81
+  152.0705 C6H8N4O- 2 152.0704 1.17
+  153.0653 C5H7N5O- 3 153.0656 -1.77
+  155.0449 C4H5N5O2- 2 155.0449 0.35
+  155.0813 C5H9N5O- 2 155.0813 0.59
+  156.0765 C4H8N6O- 3 156.0765 0.15
+  159.0797 C9H9N3- 2 159.0802 -3.31
+  160.0754 C8H8N4- 1 160.0754 -0.27
+  162.0546 C7H6N4O- 3 162.0547 -0.69
+  163.0868 C7H9N5- 1 163.0863 2.5
+  164.0702 C7H8N4O- 3 164.0704 -1.15
+  165.0289 C5H3N5O2- 2 165.0292 -2.14
+  165.0654 C6H7N5O- 3 165.0656 -1.27
+  165.1023 C7H11N5- 1 165.102 1.64
+  166.086 C7H10N4O- 3 166.086 -0.13
+  167.081 C6H9N5O- 3 167.0813 -1.53
+  167.1175 C7H13N5- 2 167.1176 -0.76
+  168.0767 C5H8N6O- 3 168.0765 1.08
+  170.0923 C5H10N6O- 3 170.0922 0.87
+  173.0703 C8H7N5- 2 173.0707 -2.29
+  174.0543 C8H6N4O- 2 174.0547 -2.29
+  174.1038 C10H12N3- 1 174.1037 0.8
+  177.1017 C8H11N5- 2 177.102 -1.5
+  178.0616 C4H15ClO5- 4 178.0613 1.66
+  179.0446 C6H5N5O2- 3 179.0449 -1.41
+  179.0812 C7H9N5O- 3 179.0813 -0.19
+  181.0967 C7H11N5O- 3 181.0969 -1.4
+  183.1128 C7H13N5O- 2 183.1126 1.17
+  184.0713 C2H11ClN7O- 4 184.0719 -3.14
+  185.1277 C7H15N5O- 4 185.1282 -2.68
+  186.0547 C9H6N4O- 3 186.0547 0.04
+  186.1235 C6H14N6O- 4 186.1235 0.24
+  187.1074 C6H13N5O2- 3 187.1075 -0.44
+  190.061 C7H6N6O- 3 190.0609 0.71
+  190.0976 C8H10N6- 2 190.0972 1.7
+  191.0814 C8H9N5O- 2 191.0813 0.62
+  195.0759 C3H16ClN2O5- 3 195.0753 2.97
+  198.055 C7H9ClN5- 2 198.0552 -1.08
+  200.1388 C7H16N6O- 4 200.1391 -1.4
+  201.0652 C9H7N5O- 5 201.0656 -1.86
+  202.086 C10H10N4O- 3 202.086 -0.19
+  203.0811 C5H16ClN2O4- 3 203.0804 3.42
+  205.0604 C4H14ClN2O5- 3 205.0597 3.37
+  212.1024 C7H12N6O2- 5 212.1027 -1.55
+  213.0652 C6H14ClN2O4- 5 213.0648 1.96
+  215.0811 C7H12ClN6- 3 215.0817 -3.2
+  216.0761 C5H15ClN3O4- 5 216.0757 1.89
+  217.0967 C10H11N5O- 3 217.0969 -1.06
+  218.1172 C11H14N4O- 3 218.1173 -0.72
+  232.0838 C7H13ClN6O- 5 232.0845 -2.99
+  234.1231 C10H14N6O- 5 234.1235 -1.56
+  242.0814 C12H10N4O2- 3 242.0809 1.99
+  259.0702 C7H16ClN2O6- 4 259.0702 -0.02
+  260.1029 C11H12N6O2- 5 260.1027 0.59
+  261.0866 C11H11N5O3- 5 261.0867 -0.64
+  262.1059 C12H14N4O3- 6 262.1071 -4.81
+  272.1053 C14H14N3O3- 6 272.1041 4.71
+  272.1365 C12H20N2O5- 4 272.1378 -4.54
+  280.1653 C12H20N6O2- 6 280.1653 0.07
+  293.1494 C13H19N5O3- 6 293.1493 0.09
+  323.1391 C14H20ClN6O- 8 323.1393 -0.37
+  345.156 C13H28ClNO7- 7 345.156 0.18
+  394.1874 C17H31ClN2O6- 8 394.1876 -0.55
+PK$NUM_PEAK: 119
+PK$PEAK: m/z int. rel.int.
+  73.0394 6167149 293
+  82.0285 524158.7 24
+  83.0237 493931.1 23
+  84.0078 944096.1 44
+  85.0393 1472226.1 70
+  87.055 439480.2 20
+  93.033 1357154.6 64
+  94.0285 428197.4 20
+  95.0236 347664.3 16
+  96.0441 1434936.5 68
+  97.0391 269244.4 12
+  99.0186 8650044 412
+  99.055 3143338.2 149
+  100.0392 823590.9 39
+  101.0344 1655719 78
+  106.0411 652938.4 31
+  107.0488 2316762 110
+  109.0392 944064.1 44
+  110.0236 1090852.6 51
+  111.0187 1726286.9 82
+  111.055 3129964.5 149
+  112.0266 2208332.2 105
+  112.0387 737413.2 35
+  112.0756 324917.5 15
+  113.0345 1894036.6 90
+  113.0705 1013030.5 48
+  116.0704 20962756 999
+  119.0489 7594679 361
+  121.0394 692041.6 32
+  122.0231 1007810.9 48
+  122.06 798443.4 38
+  123.0549 719529.1 34
+  124.0756 1280111.4 61
+  125.0343 6036338.5 287
+  125.0706 1127754.6 53
+  127.0501 3283977.2 156
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+  137.0707 748167 35
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+  138.0422 437122.6 20
+  138.0659 599502.9 28
+  139.05 20385078 971
+  139.0862 1858863.8 88
+  141.0654 1221001.1 58
+  141.1021 2345217.2 111
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+  143.1177 644796.9 30
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+  148.0755 487435.5 23
+  149.0708 567972.9 27
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+  155.0813 691516.4 32
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+  159.0797 392670.9 18
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+  162.0546 4532720 216
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+  164.0702 797785.4 38
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+  166.086 627466.9 29
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+  178.0616 1457734.8 69
+  179.0446 824104.8 39
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+  183.1128 567691.6 27
+  184.0713 1311304.4 62
+  185.1277 593510.1 28
+  186.0547 2900218.8 138
+  186.1235 615673.9 29
+  187.1074 2605269.8 124
+  190.061 339106.8 16
+  190.0976 1576964.8 75
+  191.0814 2492425.8 118
+  195.0759 4486537 213
+  198.055 857083.3 40
+  200.1388 3150392.2 150
+  201.0652 429871.3 20
+  202.086 731748.8 34
+  203.0811 6711927 319
+  205.0604 558072.9 26
+  212.1024 1869953 89
+  213.0652 644081.5 30
+  215.0811 871558.5 41
+  216.0761 811537.4 38
+  217.0967 5287453.5 251
+  218.1172 6117017.5 291
+  232.0838 1371739.1 65
+  234.1231 2433951.2 115
+  242.0814 628132.4 29
+  259.0702 437269.9 20
+  260.1029 2774791.8 132
+  261.0866 674555 32
+  262.1059 899205.9 42
+  272.1053 1067645.2 50
+  272.1365 1138411 54
+  280.1653 1970245.5 93
+  293.1494 14126154 673
+  323.1391 4544092.5 216
+  345.156 1306583.8 62
+  394.1874 1711675.4 81
+//
diff --git a/Eawag/MSBNK-MLU-ED002156.txt b/Eawag/MSBNK-MLU-ED002156.txt
new file mode 100644
index 0000000000..990f13121c
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED002156.txt
@@ -0,0 +1,237 @@
+ACCESSION: MSBNK-MLU-ED002156
+RECORD_TITLE: Tutuilamide A; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], W. H. Gerwick [dtc], R. Reher [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 21
+CH$NAME: Tutuilamide A
+CH$NAME: (2S,3S)-N-[(2S,5S,8S,11R,12S,15Z,18S,21R)-2-benzyl-15-ethylidene-21-hydroxy-5-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]-2-[[(2S)-2-[[(E)-4-chloro-3-methylbut-3-enoyl]amino]propanoyl]amino]-3-methylpentanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C51H69ClN8O12
+CH$EXACT_MASS: 1020.472347
+CH$SMILES: O=C(N(C)[C@@H](CC1=CC=C(O)C=C1)C(N[C@@H](C(C)C)C2=O)=O)[C@H](CC3=CC=CC=C3)N([C@@H](CC4)O)C([C@H]4NC(/C(NC([C@@H](NC([C@H]([C@H](CC)C)NC([C@H](C)NC(C/C(C)=C/Cl)=O)=O)=O)[C@@H](C)O2)=O)=C/C)=O)=O
+CH$IUPAC: InChI=1S/C51H69ClN8O12/c1-10-29(6)42(57-44(64)30(7)53-39(62)23-28(5)26-52)47(67)58-43-31(8)72-51(71)41(27(3)4)56-46(66)37(24-33-17-19-34(61)20-18-33)59(9)50(70)38(25-32-15-13-12-14-16-32)60-40(63)22-21-36(49(60)69)55-45(65)35(11-2)54-48(43)68/h11-20,26-27,29-31,36-38,40-43,61,63H,10,21-25H2,1-9H3,(H,53,62)(H,54,68)(H,55,65)(H,56,66)(H,57,64)(H,58,67)/b28-26+,35-11-/t29-,30-,31+,36-,37-,38-,40+,41-,42-,43-/m0/s1
+CH$LINK: PUBCHEM CID:146683664
+CH$LINK: INCHIKEY CWLDDHHTMAJFMM-LKVOOIPRSA-N
+CH$LINK: CHEMSPIDER 81424470
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 70-1060
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.511 min
+MS$FOCUSED_ION: BASE_PEAK 1019.464
+MS$FOCUSED_ION: PRECURSOR_M/Z 1019.4651
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 573453761.44
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-014i-2910000000-3d6fc5175c1e1534ec40
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  71.0238 HN5- 1 71.0237 0.32
+  73.0394 H3N5- 1 73.0394 0.04
+  82.0284 C2H2N4- 1 82.0285 -0.92
+  83.0237 CHN5- 1 83.0237 -0.04
+  84.0078 CN4O- 1 84.0078 0.94
+  85.0394 CH3N5- 1 85.0394 -0.13
+  87.055 CH5N5- 1 87.055 -0.75
+  93.0333 C4H3N3- 1 93.0332 0.93
+  94.0284 C3H2N4- 1 94.0285 -1.02
+  95.0237 C2HN5- 1 95.0237 -0.2
+  96.0441 C3H4N4- 1 96.0441 -0.02
+  97.0393 C2H3N5- 1 97.0394 -0.64
+  99.0187 CHN5O- 1 99.0187 0.41
+  99.0551 C2H5N5- 1 99.055 0.16
+  100.0391 C2H4N4O- 1 100.0391 0.18
+  101.0343 CH3N5O- 1 101.0343 0.03
+  106.0408 C5H4N3- 1 106.0411 -2.18
+  107.0367 C4H3N4- 1 107.0363 3.8
+  107.0489 C5H5N3- 1 107.0489 -0.29
+  109.0395 C3H3N5- 1 109.0394 0.59
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+  137.0707 C5H7N5- 1 137.0707 0.36
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+  139.05 C4H5N5O- 2 139.05 0.54
+  139.0863 C5H9N5- 1 139.0863 -0.29
+  141.0659 CH10ClN6- 2 141.0661 -1.6
+  141.1021 C5H11N5- 1 141.102 0.6
+  142.0498 C4H6N4O2- 2 142.0496 1.29
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+  151.1226 C3H20ClN2O2- 1 151.1219 4.45
+  153.029 C4H3N5O2- 3 153.0292 -1.22
+  153.0653 C5H7N5O- 2 153.0656 -2.27
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+  162.0546 C7H6N4O- 3 162.0547 -0.6
+  163.0386 C7H5N3O2- 4 163.0387 -0.79
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+  164.0701 C7H8N4O- 3 164.0704 -1.71
+  165.029 C5H3N5O2- 3 165.0292 -1.31
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+  176.0573 C7H6N5O- 4 176.0578 -2.96
+  179.0446 C6H5N5O2- 3 179.0449 -1.5
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+  187.1076 C6H13N5O2- 2 187.1075 0.7
+  190.0967 C8H10N6- 3 190.0972 -2.95
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+  216.1012 C7H19ClNO4- 5 216.1008 1.58
+  217.097 C10H11N5O- 3 217.0969 0.34
+  218.1172 C11H14N4O- 3 218.1173 -0.65
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+  272.1028 C12H12N6O2- 5 272.1027 0.11
+  293.1491 C13H19N5O3- 5 293.1493 -0.85
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+//
diff --git a/Eawag/MSBNK-MLU-ED002157.txt b/Eawag/MSBNK-MLU-ED002157.txt
new file mode 100644
index 0000000000..5c4372ba38
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED002157.txt
@@ -0,0 +1,233 @@
+ACCESSION: MSBNK-MLU-ED002157
+RECORD_TITLE: Tutuilamide A; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], W. H. Gerwick [dtc], R. Reher [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 21
+CH$NAME: Tutuilamide A
+CH$NAME: (2S,3S)-N-[(2S,5S,8S,11R,12S,15Z,18S,21R)-2-benzyl-15-ethylidene-21-hydroxy-5-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]-2-[[(2S)-2-[[(E)-4-chloro-3-methylbut-3-enoyl]amino]propanoyl]amino]-3-methylpentanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C51H69ClN8O12
+CH$EXACT_MASS: 1020.472347
+CH$SMILES: O=C(N(C)[C@@H](CC1=CC=C(O)C=C1)C(N[C@@H](C(C)C)C2=O)=O)[C@H](CC3=CC=CC=C3)N([C@@H](CC4)O)C([C@H]4NC(/C(NC([C@@H](NC([C@H]([C@H](CC)C)NC([C@H](C)NC(C/C(C)=C/Cl)=O)=O)=O)[C@@H](C)O2)=O)=C/C)=O)=O
+CH$IUPAC: InChI=1S/C51H69ClN8O12/c1-10-29(6)42(57-44(64)30(7)53-39(62)23-28(5)26-52)47(67)58-43-31(8)72-51(71)41(27(3)4)56-46(66)37(24-33-17-19-34(61)20-18-33)59(9)50(70)38(25-32-15-13-12-14-16-32)60-40(63)22-21-36(49(60)69)55-45(65)35(11-2)54-48(43)68/h11-20,26-27,29-31,36-38,40-43,61,63H,10,21-25H2,1-9H3,(H,53,62)(H,54,68)(H,55,65)(H,56,66)(H,57,64)(H,58,67)/b28-26+,35-11-/t29-,30-,31+,36-,37-,38-,40+,41-,42-,43-/m0/s1
+CH$LINK: PUBCHEM CID:146683664
+CH$LINK: INCHIKEY CWLDDHHTMAJFMM-LKVOOIPRSA-N
+CH$LINK: CHEMSPIDER 81424470
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 70-1060
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.511 min
+MS$FOCUSED_ION: BASE_PEAK 1019.464
+MS$FOCUSED_ION: PRECURSOR_M/Z 1019.4651
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 573453761.44
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0300-3900000000-945c52b1c9564128c4af
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
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+  93.0333 C4H3N3- 1 93.0332 0.6
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+  217.097 C10H11N5O- 3 217.0969 0.41
+  218.1166 C11H14N4O- 4 218.1173 -3.17
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+  183.1127 377346.4 20
+  186.0547 524330.8 29
+  198.0547 395440.8 21
+  200.1388 690805.3 38
+  201.0654 256593.1 14
+  203.0809 830959.2 46
+  217.097 369611.8 20
+  218.1166 1116323.5 62
+//
diff --git a/Eawag/MSBNK-MLU-ED002158.txt b/Eawag/MSBNK-MLU-ED002158.txt
new file mode 100644
index 0000000000..39de86d4d9
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED002158.txt
@@ -0,0 +1,161 @@
+ACCESSION: MSBNK-MLU-ED002158
+RECORD_TITLE: Tutuilamide A; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], W. H. Gerwick [dtc], R. Reher [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 21
+CH$NAME: Tutuilamide A
+CH$NAME: (2S,3S)-N-[(2S,5S,8S,11R,12S,15Z,18S,21R)-2-benzyl-15-ethylidene-21-hydroxy-5-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]-2-[[(2S)-2-[[(E)-4-chloro-3-methylbut-3-enoyl]amino]propanoyl]amino]-3-methylpentanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C51H69ClN8O12
+CH$EXACT_MASS: 1020.472347
+CH$SMILES: O=C(N(C)[C@@H](CC1=CC=C(O)C=C1)C(N[C@@H](C(C)C)C2=O)=O)[C@H](CC3=CC=CC=C3)N([C@@H](CC4)O)C([C@H]4NC(/C(NC([C@@H](NC([C@H]([C@H](CC)C)NC([C@H](C)NC(C/C(C)=C/Cl)=O)=O)=O)[C@@H](C)O2)=O)=C/C)=O)=O
+CH$IUPAC: InChI=1S/C51H69ClN8O12/c1-10-29(6)42(57-44(64)30(7)53-39(62)23-28(5)26-52)47(67)58-43-31(8)72-51(71)41(27(3)4)56-46(66)37(24-33-17-19-34(61)20-18-33)59(9)50(70)38(25-32-15-13-12-14-16-32)60-40(63)22-21-36(49(60)69)55-45(65)35(11-2)54-48(43)68/h11-20,26-27,29-31,36-38,40-43,61,63H,10,21-25H2,1-9H3,(H,53,62)(H,54,68)(H,55,65)(H,56,66)(H,57,64)(H,58,67)/b28-26+,35-11-/t29-,30-,31+,36-,37-,38-,40+,41-,42-,43-/m0/s1
+CH$LINK: PUBCHEM CID:146683664
+CH$LINK: INCHIKEY CWLDDHHTMAJFMM-LKVOOIPRSA-N
+CH$LINK: CHEMSPIDER 81424470
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 70-1060
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.511 min
+MS$FOCUSED_ION: BASE_PEAK 1019.464
+MS$FOCUSED_ION: PRECURSOR_M/Z 1019.4651
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 573453761.44
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-01b9-4900000000-931a9a8b6d40f7aef919
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  73.0394 H3N5- 1 73.0394 0.04
+  82.0285 C2H2N4- 1 82.0285 0.28
+  83.0237 CHN5- 1 83.0237 -0.32
+  84.0077 CN4O- 1 84.0078 -0.97
+  84.0439 C2H4N4- 1 84.0441 -2.8
+  85.0395 CH3N5- 1 85.0394 0.94
+  87.055 CH5N5- 1 87.055 -0.66
+  93.0332 C4H3N3- 1 93.0332 0.03
+  94.0287 C3H2N4- 1 94.0285 1.66
+  95.0238 C2HN5- 1 95.0237 0.28
+  96.0442 C3H4N4- 1 96.0441 0.62
+  97.0393 C2H3N5- 1 97.0394 -0.8
+  98.0106 CN5O- 1 98.0108 -2.67
+  99.0186 CHN5O- 1 99.0187 -0.44
+  101.0343 CH3N5O- 1 101.0343 -0.57
+  106.0409 C5H4N3- 1 106.0411 -2.04
+  107.0365 C4H3N4- 1 107.0363 1.94
+  107.0489 C5H5N3- 1 107.0489 0.49
+  108.0076 C3N4O- 1 108.0078 -1.28
+  108.0316 C3H2N5- 1 108.0316 -0.07
+  109.0394 C3H3N5- 1 109.0394 -0.04
+  110.0109 C2N5O- 1 110.0108 0.44
+  110.0235 C3H2N4O- 2 110.0234 0.56
+  110.0471 C3H4N5- 1 110.0472 -0.82
+  111.0188 C2HN5O- 1 111.0187 0.96
+  111.0552 C3H5N5- 1 111.055 1.84
+  112.0265 C2H2N5O- 1 112.0265 0.25
+  113.0345 C2H3N5O- 1 113.0343 1.54
+  113.0705 C3H7N5- 1 113.0707 -2.11
+  116.0704 C3H8N4O- 2 116.0704 0.3
+  117.0331 C6H3N3- 1 117.0332 -0.91
+  119.0489 C6H5N3- 1 119.0489 0.23
+  121.0394 C4H3N5- 1 121.0394 0.23
+  122.0234 C4H2N4O- 2 122.0234 0.23
+  122.0598 C5H6N4- 1 122.0598 0.35
+  123.0552 C4H5N5- 1 123.055 1.06
+  124.0756 C5H8N4- 1 124.0754 1.17
+  125.0344 C3H3N5O- 2 125.0343 0.6
+  125.0707 C4H7N5- 1 125.0707 -0.14
+  127.0501 C3H5N5O- 2 127.05 1.44
+  129.1021 C4H11N5- 1 129.102 0.7
+  131.0488 C7H5N3- 1 131.0489 -0.37
+  137.0345 C4H3N5O- 2 137.0343 1.65
+  138.0658 C4H6N6- 2 138.0659 -1
+  139.05 C4H5N5O- 2 139.05 0.65
+  139.0863 C5H9N5- 1 139.0863 0.04
+  141.102 C5H11N5- 1 141.102 0.06
+  144.0442 C7H4N4- 1 144.0441 0.73
+  145.0281 C7H3N3O- 2 145.0282 -0.56
+  147.0437 C7H5N3O- 2 147.0438 -0.66
+  148.0753 C7H8N4- 1 148.0754 -0.66
+  153.029 C4H3N5O2- 3 153.0292 -1.61
+  154.0733 C5H8N5O- 3 154.0734 -1.13
+  155.1175 C6H13N5- 2 155.1176 -1.05
+  156.0767 C4H8N6O- 3 156.0765 1.13
+  157.0522 C8H5N4- 1 157.052 1.15
+  159.0803 C9H9N3- 1 159.0802 0.53
+  160.0754 C8H8N4- 1 160.0754 -0.18
+  182.1279 C7H14N6- 3 182.1285 -3.49
+PK$NUM_PEAK: 59
+PK$PEAK: m/z int. rel.int.
+  73.0394 12065874 999
+  82.0285 527682.1 43
+  83.0237 643273.7 53
+  84.0077 938653.9 77
+  84.0439 334811 27
+  85.0395 993852.6 82
+  87.055 1237655.9 102
+  93.0332 1535774.5 127
+  94.0287 640674.9 53
+  95.0238 607537.8 50
+  96.0442 719091.2 59
+  97.0393 465647.9 38
+  98.0106 164927.5 13
+  99.0186 5280332 437
+  101.0343 423228 35
+  106.0409 320728.7 26
+  107.0365 188821 15
+  107.0489 1286359.5 106
+  108.0076 389776.4 32
+  108.0316 170930 14
+  109.0394 1258237.6 104
+  110.0109 768059.3 63
+  110.0235 371550.8 30
+  110.0471 790082.4 65
+  111.0188 1563839.5 129
+  111.0552 944686.9 78
+  112.0265 3347438.5 277
+  113.0345 861960.6 71
+  113.0705 369413.1 30
+  116.0704 7547659.5 624
+  117.0331 848926.5 70
+  119.0489 10104147 836
+  121.0394 389900.5 32
+  122.0234 349637 28
+  122.0598 298846.5 24
+  123.0552 758249.7 62
+  124.0756 179063.5 14
+  125.0344 5077920 420
+  125.0707 561363.2 46
+  127.0501 804046.9 66
+  129.1021 571424.9 47
+  131.0488 291815.5 24
+  137.0345 285965.6 23
+  138.0658 537122 44
+  139.05 2745014 227
+  139.0863 466437.6 38
+  141.102 594703.2 49
+  144.0442 217380.5 17
+  145.0281 363861.2 30
+  147.0437 406177.7 33
+  148.0753 379326.5 31
+  153.029 359815.5 29
+  154.0733 436724.4 36
+  155.1175 186384.4 15
+  156.0767 558585.8 46
+  157.0522 318053.3 26
+  159.0803 779741.2 64
+  160.0754 2006152.1 166
+  182.1279 180606.8 14
+//
diff --git a/Eawag/MSBNK-MLU-ED015501.txt b/Eawag/MSBNK-MLU-ED015501.txt
new file mode 100644
index 0000000000..820f76fdcc
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED015501.txt
@@ -0,0 +1,68 @@
+ACCESSION: MSBNK-MLU-ED015501
+RECORD_TITLE: Balticidin C; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+
+DATE: 2024.04.30
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], T.-H. Bui [dtc], S. Mundt [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 155
+CH$NAME: Balticidin C
+CH$NAME: (2R,3S,4R,5S,6S)-6-[(2S,3S,4R,5R)-2-[1-[[1-[[1-[[1-[[1-[[(Z)-1-[[(2S)-5-amino-1-[[2-[[1-[[(1R)-4-amino-1-carboxy-4-oxobutyl]amino]-1-oxo-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutan-2-yl]-methylamino]-2-oxoethyl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxobut-2-en-2-yl]amino]-3-hydroxy-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-2-hydroxy-1-oxohexadecan-3-yl]oxy-3,5-dihydroxyoxan-4-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C75H121N11O36
+CH$EXACT_MASS: 1751.797569
+CH$SMILES: O=C(NC(C(O)C)C(NC(C(C)O)C(NC(C(C)O)C(NC(C(N/C(C(N[C@H](C(NCC(N(C(C(N[C@H](CCC(N)=O)C(O)=O)=O)C(C)O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](CO)O1)C)=O)=O)CCC(N)=O)=O)=C\C)=O)C(O)C2=CC=C(O)C=C2)=O)=O)=O)C(O)C(O[C@H]3[C@@H](O)[C@H](O[C@H]4O[C@@H](C(O)=O)[C@@H](O)[C@@H](O)[C@@H]4O)[C@H](O)CO3)CCCCCCCCCCCCC
+CH$IUPAC: InChI=1S/C75H121N11O36/c1-8-10-11-12-13-14-15-16-17-18-19-20-42(119-73-60(104)61(41(92)31-117-73)121-75-59(103)56(100)57(101)62(122-75)72(115)116)54(98)70(112)84-49(34(5)90)66(108)82-47(32(3)88)65(107)83-48(33(4)89)67(109)85-50(52(96)36-21-23-37(91)24-22-36)68(110)79-38(9-2)64(106)80-39(25-27-44(76)93)63(105)78-29-46(95)86(7)51(69(111)81-40(71(113)114)26-28-45(77)94)35(6)118-74-58(102)55(99)53(97)43(30-87)120-74/h9,21-24,32-35,39-43,47-62,73-75,87-92,96-104H,8,10-20,25-31H2,1-7H3,(H2,76,93)(H2,77,94)(H,78,105)(H,79,110)(H,80,106)(H,81,111)(H,82,108)(H,83,107)(H,84,112)(H,85,109)(H,113,114)(H,115,116)/b38-9-/t32?,33?,34?,35?,39-,40+,41+,42?,43-,47?,48?,49?,50?,51?,52?,53-,54?,55+,56+,57-,58+,59-,60-,61+,62+,73-,74-,75-/m0/s1
+CH$LINK: PUBCHEM CID:146683689
+CH$LINK: INCHIKEY CXWFWZQJPYLHFZ-GGBPWVLZSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 120-1805
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.335 min
+MS$FOCUSED_ION: BASE_PEAK 885.42
+MS$FOCUSED_ION: PRECURSOR_M/Z 1752.8048
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 18852882.36
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03di-0090200100-f71c059ccc19f96183e9
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  319.1611 C11H17N11O+ 6 319.1612 -0.21
+  384.1872 C16H26N5O6+ 10 384.1878 -1.41
+  410.1666 C3H26N10O13+ 12 410.1675 -2.27
+  447.2195 C17H31N6O8+ 15 447.2198 -0.69
+  818.4551 C27H66N10O18+ 40 818.4551 0
+  928.5053 C32H82NO28+ 45 928.5018 3.79
+  1003.5341 C61H67N10O4+ 46 1003.5341 -0.02
+  1074.5692 C66H74N8O6+ 49 1074.5726 -3.14
+  1092.5842 C51H82N9O17+ 47 1092.5823 1.71
+  1247.6405 C45H99N8O31+ 41 1247.6411 -0.49
+  1264.6668 C72H92N6O14+ 39 1264.6666 0.17
+  1408.6825 C72H102N3O25+ 29 1408.6797 2.01
+  1734.7923 C75H120N11O35+ 1 1734.7943 -1.12
+PK$NUM_PEAK: 13
+PK$PEAK: m/z int. rel.int.
+  319.1611 70373.6 11
+  384.1872 166052.2 27
+  410.1666 103443.8 17
+  447.2195 1036094.4 171
+  818.4551 352736.4 58
+  928.5053 210048.5 34
+  1003.5341 294645.9 48
+  1074.5692 182888.3 30
+  1092.5842 120828.3 19
+  1247.6405 191300.6 31
+  1264.6668 6049737.5 999
+  1408.6825 546062.6 90
+  1734.7923 736606 121
+//
diff --git a/Eawag/MSBNK-MLU-ED015502.txt b/Eawag/MSBNK-MLU-ED015502.txt
new file mode 100644
index 0000000000..f63337ce94
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED015502.txt
@@ -0,0 +1,134 @@
+ACCESSION: MSBNK-MLU-ED015502
+RECORD_TITLE: Balticidin C; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+
+DATE: 2024.04.30
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], T.-H. Bui [dtc], S. Mundt [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 155
+CH$NAME: Balticidin C
+CH$NAME: (2R,3S,4R,5S,6S)-6-[(2S,3S,4R,5R)-2-[1-[[1-[[1-[[1-[[1-[[(Z)-1-[[(2S)-5-amino-1-[[2-[[1-[[(1R)-4-amino-1-carboxy-4-oxobutyl]amino]-1-oxo-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutan-2-yl]-methylamino]-2-oxoethyl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxobut-2-en-2-yl]amino]-3-hydroxy-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-2-hydroxy-1-oxohexadecan-3-yl]oxy-3,5-dihydroxyoxan-4-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C75H121N11O36
+CH$EXACT_MASS: 1751.797569
+CH$SMILES: O=C(NC(C(O)C)C(NC(C(C)O)C(NC(C(C)O)C(NC(C(N/C(C(N[C@H](C(NCC(N(C(C(N[C@H](CCC(N)=O)C(O)=O)=O)C(C)O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](CO)O1)C)=O)=O)CCC(N)=O)=O)=C\C)=O)C(O)C2=CC=C(O)C=C2)=O)=O)=O)C(O)C(O[C@H]3[C@@H](O)[C@H](O[C@H]4O[C@@H](C(O)=O)[C@@H](O)[C@@H](O)[C@@H]4O)[C@H](O)CO3)CCCCCCCCCCCCC
+CH$IUPAC: InChI=1S/C75H121N11O36/c1-8-10-11-12-13-14-15-16-17-18-19-20-42(119-73-60(104)61(41(92)31-117-73)121-75-59(103)56(100)57(101)62(122-75)72(115)116)54(98)70(112)84-49(34(5)90)66(108)82-47(32(3)88)65(107)83-48(33(4)89)67(109)85-50(52(96)36-21-23-37(91)24-22-36)68(110)79-38(9-2)64(106)80-39(25-27-44(76)93)63(105)78-29-46(95)86(7)51(69(111)81-40(71(113)114)26-28-45(77)94)35(6)118-74-58(102)55(99)53(97)43(30-87)120-74/h9,21-24,32-35,39-43,47-62,73-75,87-92,96-104H,8,10-20,25-31H2,1-7H3,(H2,76,93)(H2,77,94)(H,78,105)(H,79,110)(H,80,106)(H,81,111)(H,82,108)(H,83,107)(H,84,112)(H,85,109)(H,113,114)(H,115,116)/b38-9-/t32?,33?,34?,35?,39-,40+,41+,42?,43-,47?,48?,49?,50?,51?,52?,53-,54?,55+,56+,57-,58+,59-,60-,61+,62+,73-,74-,75-/m0/s1
+CH$LINK: PUBCHEM CID:146683689
+CH$LINK: INCHIKEY CXWFWZQJPYLHFZ-GGBPWVLZSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 120-1805
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.335 min
+MS$FOCUSED_ION: BASE_PEAK 885.42
+MS$FOCUSED_ION: PRECURSOR_M/Z 1752.8048
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 18852882.36
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0fr2-2954730318-14ea837b4ec0aefe68a2
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  162.0547 C9H8NO2+ 1 162.055 -1.52
+  173.0918 C7H13N2O3+ 1 173.0921 -1.6
+  244.128 C10H18N3O4+ 2 244.1292 -4.81
+  245.0914 C13H13N2O3+ 3 245.0921 -2.53
+  252.0978 C11H14N3O4+ 1 252.0979 -0.28
+  262.1398 C10H20N3O5+ 2 262.1397 0.02
+  283.1394 C11H23O8+ 3 283.1387 2.22
+  284.1245 C12H18N3O5+ 4 284.1241 1.46
+  301.1505 C11H15N11+ 6 301.1506 -0.52
+  328.1286 C3H20N8O10+ 8 328.1297 -3.45
+  340.1611 C14H22N5O5+ 5 340.1615 -1.44
+  346.1396 C16H14N10+ 9 346.1397 -0.34
+  349.1507 C16H21N4O5+ 9 349.1506 0.15
+  366.1782 C17H20N9O+ 9 366.1785 -0.96
+  367.1614 C16H23N4O6+ 10 367.1612 0.42
+  373.1507 C18H21N4O5+ 10 373.1506 0.19
+  384.1876 C16H26N5O6+ 9 384.1878 -0.38
+  392.1554 C2H28N6O16+ 11 392.1556 -0.53
+  410.1666 C3H26N10O13+ 12 410.1675 -2.2
+  412.1822 C17H26N5O7+ 12 412.1827 -1.23
+  429.2092 C17H29N6O7+ 15 429.2092 -0.16
+  447.2198 C17H31N6O8+ 15 447.2198 0.13
+  455.3115 C23H37N9O+ 11 455.3116 -0.07
+  456.1884 C9H34N3O17+ 12 456.1883 0.18
+  473.3221 C23H39N9O2+ 12 473.3221 -0.12
+  474.1997 C36H26O+ 12 474.1978 4.01
+  501.2113 C26H27N7O4+ 15 501.2119 -1.21
+  538.3488 C16H52N5O14+ 18 538.3505 -3.15
+  545.2353 C11H35N11O14+ 17 545.2359 -1.27
+  556.3593 C28H50N3O8+ 21 556.3592 0.08
+  574.3702 C14H54N8O15+ 21 574.3703 -0.26
+  628.2739 C31H40N4O10+ 27 628.2739 0.07
+  691.4002 H73N3O36+ 32 691.3968 4.9
+  699.3974 C11H71O31+ 31 699.3974 0.06
+  714.428 C5H68N11O27+ 31 714.4281 -0.13
+  717.4073 C23H59N9O16+ 31 717.4074 -0.11
+  800.4448 C56H56N4O+ 40 800.4449 -0.06
+  928.5035 C32H82NO28+ 45 928.5018 1.88
+  946.5138 C33H80N5O25+ 46 946.5137 0.09
+  985.5261 C47H77N4O18+ 48 985.5227 3.37
+  1003.5341 C61H67N10O4+ 46 1003.5341 -0.02
+  1074.5721 C66H74N8O6+ 46 1074.5726 -0.42
+  1100.588 C41H96O32+ 47 1100.5879 0.03
+  1118.5979 C53H84N9O17+ 46 1118.598 -0.03
+  1264.6667 C72H92N6O14+ 40 1264.6666 0.08
+  1572.7327 C72H112N6O32+ 12 1572.7316 0.75
+PK$NUM_PEAK: 46
+PK$PEAK: m/z int. rel.int.
+  162.0547 89003.2 47
+  173.0918 147338.3 78
+  244.128 37740.1 20
+  245.0914 236675.2 125
+  252.0978 28269.6 15
+  262.1398 221040.4 117
+  283.1394 78377.5 41
+  284.1245 135474.2 72
+  301.1505 373000.1 198
+  328.1286 21944.8 11
+  340.1611 56139.8 29
+  346.1396 41951 22
+  349.1507 20169.1 10
+  366.1782 208040.9 110
+  367.1614 245403.4 130
+  373.1507 194163.9 103
+  384.1876 513015 272
+  392.1554 36185.2 19
+  410.1666 386284.9 205
+  412.1822 61735.5 32
+  429.2092 195449.2 103
+  447.2198 1658294.2 881
+  455.3115 225109.2 119
+  456.1884 34070.8 18
+  473.3221 214904.8 114
+  474.1997 41869.6 22
+  501.2113 26399.4 14
+  538.3488 143368.1 76
+  545.2353 130298.9 69
+  556.3593 307614.4 163
+  574.3702 373843.4 198
+  628.2739 35828.6 19
+  691.4002 145814.5 77
+  699.3974 86913.7 46
+  714.428 248312.1 132
+  717.4073 1114528.8 592
+  800.4448 435720.2 231
+  928.5035 1023123.9 543
+  946.5138 1778631.4 945
+  985.5261 349522.8 185
+  1003.5341 478576.7 254
+  1074.5721 582786.9 309
+  1100.588 1404320.4 746
+  1118.5979 1879217.2 999
+  1264.6667 1321871.6 702
+  1572.7327 240030.4 127
+//
diff --git a/Eawag/MSBNK-MLU-ED015503.txt b/Eawag/MSBNK-MLU-ED015503.txt
new file mode 100644
index 0000000000..b0c8f8972b
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED015503.txt
@@ -0,0 +1,186 @@
+ACCESSION: MSBNK-MLU-ED015503
+RECORD_TITLE: Balticidin C; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+
+DATE: 2024.04.30
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], T.-H. Bui [dtc], S. Mundt [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 155
+CH$NAME: Balticidin C
+CH$NAME: (2R,3S,4R,5S,6S)-6-[(2S,3S,4R,5R)-2-[1-[[1-[[1-[[1-[[1-[[(Z)-1-[[(2S)-5-amino-1-[[2-[[1-[[(1R)-4-amino-1-carboxy-4-oxobutyl]amino]-1-oxo-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutan-2-yl]-methylamino]-2-oxoethyl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxobut-2-en-2-yl]amino]-3-hydroxy-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-2-hydroxy-1-oxohexadecan-3-yl]oxy-3,5-dihydroxyoxan-4-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C75H121N11O36
+CH$EXACT_MASS: 1751.797569
+CH$SMILES: O=C(NC(C(O)C)C(NC(C(C)O)C(NC(C(C)O)C(NC(C(N/C(C(N[C@H](C(NCC(N(C(C(N[C@H](CCC(N)=O)C(O)=O)=O)C(C)O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](CO)O1)C)=O)=O)CCC(N)=O)=O)=C\C)=O)C(O)C2=CC=C(O)C=C2)=O)=O)=O)C(O)C(O[C@H]3[C@@H](O)[C@H](O[C@H]4O[C@@H](C(O)=O)[C@@H](O)[C@@H](O)[C@@H]4O)[C@H](O)CO3)CCCCCCCCCCCCC
+CH$IUPAC: InChI=1S/C75H121N11O36/c1-8-10-11-12-13-14-15-16-17-18-19-20-42(119-73-60(104)61(41(92)31-117-73)121-75-59(103)56(100)57(101)62(122-75)72(115)116)54(98)70(112)84-49(34(5)90)66(108)82-47(32(3)88)65(107)83-48(33(4)89)67(109)85-50(52(96)36-21-23-37(91)24-22-36)68(110)79-38(9-2)64(106)80-39(25-27-44(76)93)63(105)78-29-46(95)86(7)51(69(111)81-40(71(113)114)26-28-45(77)94)35(6)118-74-58(102)55(99)53(97)43(30-87)120-74/h9,21-24,32-35,39-43,47-62,73-75,87-92,96-104H,8,10-20,25-31H2,1-7H3,(H2,76,93)(H2,77,94)(H,78,105)(H,79,110)(H,80,106)(H,81,111)(H,82,108)(H,83,107)(H,84,112)(H,85,109)(H,113,114)(H,115,116)/b38-9-/t32?,33?,34?,35?,39-,40+,41+,42?,43-,47?,48?,49?,50?,51?,52?,53-,54?,55+,56+,57-,58+,59-,60-,61+,62+,73-,74-,75-/m0/s1
+CH$LINK: PUBCHEM CID:146683689
+CH$LINK: INCHIKEY CXWFWZQJPYLHFZ-GGBPWVLZSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 120-1805
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.335 min
+MS$FOCUSED_ION: BASE_PEAK 885.42
+MS$FOCUSED_ION: PRECURSOR_M/Z 1752.8048
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 18852882.36
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-066r-0579751311-f430b2e2de76ace82ce3
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  129.0652 C5H9N2O2+ 1 129.0659 -4.86
+  134.0596 C8H8NO+ 1 134.06 -3.62
+  136.0753 C8H10NO+ 1 136.0757 -3.08
+  162.0547 C9H8NO2+ 1 162.055 -1.33
+  173.0919 C7H13N2O3+ 1 173.0921 -1.25
+  175.1076 C7H15N2O3+ 1 175.1077 -0.81
+  186.0864 C7H12N3O3+ 2 186.0873 -4.68
+  203.1027 C8H15N2O4+ 1 203.1026 0.42
+  212.1029 C9H14N3O3+ 1 212.103 -0.44
+  218.0808 C12H12NO3+ 2 218.0812 -1.88
+  235.0704 C11H11N2O4+ 2 235.0713 -3.9
+  238.0819 C10H12N3O4+ 2 238.0822 -1.21
+  239.1132 C10H15N4O3+ 3 239.1139 -2.93
+  240.0978 C10H14N3O4+ 1 240.0979 -0.27
+  244.1288 C10H18N3O4+ 2 244.1292 -1.37
+  245.0918 C13H13N2O3+ 3 245.0921 -1.03
+  246.1228 C11H14N6O+ 2 246.1224 1.95
+  252.0975 C11H14N3O4+ 2 252.0979 -1.43
+  257.1242 C10H17N4O4+ 3 257.1244 -0.88
+  263.1021 C13H15N2O4+ 3 263.1026 -2.04
+  266.1134 C12H16N3O4+ 2 266.1135 -0.52
+  283.1401 C12H19N4O4+ 5 283.1401 -0.02
+  284.1238 C11H12N10+ 3 284.1241 -1.1
+  295.1037 C13H11N8O+ 6 295.105 -4.55
+  301.1505 C11H15N11+ 6 301.1506 -0.42
+  306.1082 C13H10N10+ 5 306.1084 -0.9
+  319.1611 C11H17N11O+ 6 319.1612 -0.21
+  323.1348 C13H13N11+ 8 323.135 -0.66
+  326.268 C5H38N6O9+ 6 326.2695 -4.65
+  328.1285 C3H20N8O10+ 8 328.1297 -3.55
+  332.1242 C16H18N3O5+ 9 332.1241 0.3
+  340.1614 C14H22N5O5+ 7 340.1615 -0.45
+  343.1608 C13H17N11O+ 7 343.1612 -1.07
+  344.2787 C4H44N2O14+ 6 344.2787 0.06
+  346.1397 C16H14N10+ 9 346.1397 -0.17
+  350.1354 C3H28NO17+ 9 350.1352 0.75
+  356.1242 C3H24N4O15+ 10 356.1233 2.54
+  367.1614 C16H23N4O6+ 10 367.1612 0.51
+  372.2742 C19H32N8+ 7 372.2744 -0.77
+  373.1507 C18H21N4O5+ 10 373.1506 0.1
+  384.1876 C16H26N5O6+ 9 384.1878 -0.46
+  392.1551 C2H28N6O16+ 11 392.1556 -1.23
+  393.1407 C3H23N9O13+ 10 393.141 -0.61
+  410.1669 C3H26N10O13+ 13 410.1675 -1.53
+  419.2909 C10H41N7O10+ 9 419.2909 -0.02
+  437.301 C24H41N2O5+ 10 437.301 0.11
+  444.1876 C21H26N5O6+ 13 444.1878 -0.46
+  455.3113 C23H37N9O+ 11 455.3116 -0.54
+  473.322 C23H39N9O2+ 12 473.3221 -0.25
+  488.2153 C24H26N9O3+ 13 488.2153 -0.04
+  495.2197 C21H31N6O8+ 15 495.2198 -0.08
+  510.1962 C10H34N6O17+ 14 510.1975 -2.6
+  512.3323 C23H48N2O10+ 15 512.3303 3.89
+  538.3485 C16H52N5O14+ 19 538.3505 -3.71
+  545.2355 C11H35N11O14+ 18 545.2359 -0.83
+  556.3595 C28H50N3O8+ 19 556.3592 0.4
+  574.3702 C14H54N8O15+ 21 574.3703 -0.15
+  627.2379 C25H41NO17+ 24 627.2369 1.64
+  628.2742 C31H40N4O10+ 27 628.2739 0.46
+  673.2918 C14H51N5O24+ 31 673.2918 -0.09
+  678.407 C22H60N7O16+ 29 678.4091 -3.06
+  681.3856 C40H51N5O5+ 30 681.3885 -4.2
+  691.3967 H73N3O36+ 30 691.3968 -0.22
+  714.428 C5H68N11O27+ 31 714.4281 -0.13
+  717.4073 C23H59N9O16+ 32 717.4074 -0.2
+  818.4551 C27H66N10O18+ 40 818.4551 0
+  928.5033 C32H82NO28+ 43 928.5018 1.62
+  985.5237 C47H77N4O18+ 46 985.5227 0.96
+  1014.5689 C72H74N2O3+ 48 1014.5694 -0.49
+  1100.588 C41H96O32+ 47 1100.5879 0.03
+  1118.5978 C53H84N9O17+ 46 1118.598 -0.14
+  1246.6573 C73H86N10O9+ 40 1246.6574 -0.06
+PK$NUM_PEAK: 72
+PK$PEAK: m/z int. rel.int.
+  129.0652 27425 16
+  134.0596 80929.7 48
+  136.0753 17729 10
+  162.0547 665169.5 399
+  173.0919 436835.3 262
+  175.1076 28540.5 17
+  186.0864 27593.9 16
+  203.1027 30426.6 18
+  212.1029 182343.3 109
+  218.0808 21302.2 12
+  235.0704 17958.9 10
+  238.0819 92663.3 55
+  239.1132 38076.3 22
+  240.0978 61187.3 36
+  244.1288 183481.1 110
+  245.0918 1169768.6 702
+  246.1228 20904.4 12
+  252.0975 144384.2 86
+  257.1242 64170.6 38
+  263.1021 76265.4 45
+  266.1134 66497.6 39
+  283.1401 201547.2 121
+  284.1238 418108.8 251
+  295.1037 111271.3 66
+  301.1505 1010442.8 607
+  306.1082 32601.2 19
+  319.1611 224301.3 134
+  323.1348 232288.6 139
+  326.268 26433.4 15
+  328.1285 152672.1 91
+  332.1242 51842.4 31
+  340.1614 148324.8 89
+  343.1608 92985.6 55
+  344.2787 97110.8 58
+  346.1397 379910.5 228
+  350.1354 92890.7 55
+  356.1242 124088 74
+  367.1614 336264.6 202
+  372.2742 296990.5 178
+  373.1507 311290.3 187
+  384.1876 509975.8 306
+  392.1551 109015.2 65
+  393.1407 27359.6 16
+  410.1669 530995.9 319
+  419.2909 17130.2 10
+  437.301 322891.8 193
+  444.1876 26317.9 15
+  455.3113 1662766.1 999
+  473.322 624998.6 375
+  488.2153 67786.6 40
+  495.2197 119397.6 71
+  510.1962 57155.6 34
+  512.3323 194712.6 116
+  538.3485 801224.4 481
+  545.2355 207744.5 124
+  556.3595 867783.4 521
+  574.3702 377703.4 226
+  627.2379 18045.1 10
+  628.2742 71955.1 43
+  673.2918 39298.7 23
+  678.407 123780.1 74
+  681.3856 176346.3 105
+  691.3967 179755.9 107
+  714.428 108166.3 64
+  717.4073 1407283 845
+  818.4551 721769.4 433
+  928.5033 527077.2 316
+  985.5237 176651.4 106
+  1014.5689 36771.2 22
+  1100.588 621463.6 373
+  1118.5978 722145.1 433
+  1246.6573 531504.8 319
+//
diff --git a/Eawag/MSBNK-MLU-ED015504.txt b/Eawag/MSBNK-MLU-ED015504.txt
new file mode 100644
index 0000000000..38df8b3b9d
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED015504.txt
@@ -0,0 +1,240 @@
+ACCESSION: MSBNK-MLU-ED015504
+RECORD_TITLE: Balticidin C; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+
+DATE: 2024.04.30
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], T.-H. Bui [dtc], S. Mundt [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 155
+CH$NAME: Balticidin C
+CH$NAME: (2R,3S,4R,5S,6S)-6-[(2S,3S,4R,5R)-2-[1-[[1-[[1-[[1-[[1-[[(Z)-1-[[(2S)-5-amino-1-[[2-[[1-[[(1R)-4-amino-1-carboxy-4-oxobutyl]amino]-1-oxo-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutan-2-yl]-methylamino]-2-oxoethyl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxobut-2-en-2-yl]amino]-3-hydroxy-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-2-hydroxy-1-oxohexadecan-3-yl]oxy-3,5-dihydroxyoxan-4-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C75H121N11O36
+CH$EXACT_MASS: 1751.797569
+CH$SMILES: O=C(NC(C(O)C)C(NC(C(C)O)C(NC(C(C)O)C(NC(C(N/C(C(N[C@H](C(NCC(N(C(C(N[C@H](CCC(N)=O)C(O)=O)=O)C(C)O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](CO)O1)C)=O)=O)CCC(N)=O)=O)=C\C)=O)C(O)C2=CC=C(O)C=C2)=O)=O)=O)C(O)C(O[C@H]3[C@@H](O)[C@H](O[C@H]4O[C@@H](C(O)=O)[C@@H](O)[C@@H](O)[C@@H]4O)[C@H](O)CO3)CCCCCCCCCCCCC
+CH$IUPAC: InChI=1S/C75H121N11O36/c1-8-10-11-12-13-14-15-16-17-18-19-20-42(119-73-60(104)61(41(92)31-117-73)121-75-59(103)56(100)57(101)62(122-75)72(115)116)54(98)70(112)84-49(34(5)90)66(108)82-47(32(3)88)65(107)83-48(33(4)89)67(109)85-50(52(96)36-21-23-37(91)24-22-36)68(110)79-38(9-2)64(106)80-39(25-27-44(76)93)63(105)78-29-46(95)86(7)51(69(111)81-40(71(113)114)26-28-45(77)94)35(6)118-74-58(102)55(99)53(97)43(30-87)120-74/h9,21-24,32-35,39-43,47-62,73-75,87-92,96-104H,8,10-20,25-31H2,1-7H3,(H2,76,93)(H2,77,94)(H,78,105)(H,79,110)(H,80,106)(H,81,111)(H,82,108)(H,83,107)(H,84,112)(H,85,109)(H,113,114)(H,115,116)/b38-9-/t32?,33?,34?,35?,39-,40+,41+,42?,43-,47?,48?,49?,50?,51?,52?,53-,54?,55+,56+,57-,58+,59-,60-,61+,62+,73-,74-,75-/m0/s1
+CH$LINK: PUBCHEM CID:146683689
+CH$LINK: INCHIKEY CXWFWZQJPYLHFZ-GGBPWVLZSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 120-1805
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.335 min
+MS$FOCUSED_ION: BASE_PEAK 885.42
+MS$FOCUSED_ION: PRECURSOR_M/Z 1752.8048
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 18852882.36
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0k92-0489410000-97d6a337b74a86c777d7
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  129.0659 C5H9N2O2+ 1 129.0659 0.23
+  130.0496 C5H8NO3+ 1 130.0499 -2.37
+  134.06 C8H8NO+ 1 134.06 -0.21
+  136.0754 C8H10NO+ 1 136.0757 -2.07
+  139.0863 C7H11N2O+ 1 139.0866 -1.79
+  141.0657 C6H9N2O2+ 1 141.0659 -1.39
+  145.0972 C6H13N2O2+ 1 145.0972 0.5
+  147.0763 C5H11N2O3+ 1 147.0764 -1.02
+  155.0814 C7H11N2O2+ 1 155.0815 -0.78
+  157.0972 C7H13N2O2+ 1 157.0972 -0.02
+  159.0766 C6H11N2O3+ 1 159.0764 1.34
+  160.0599 C6H10NO4+ 2 160.0604 -3.47
+  162.0548 C9H8NO2+ 1 162.055 -1.05
+  167.0813 C8H11N2O2+ 1 167.0815 -1.06
+  168.0765 C7H10N3O2+ 1 168.0768 -1.55
+  169.0608 C7H9N2O3+ 1 169.0608 0.23
+  173.092 C7H13N2O3+ 1 173.0921 -0.36
+  175.1078 C7H15N2O3+ 1 175.1077 0.32
+  184.1083 C8H14N3O2+ 1 184.1081 1.14
+  185.0918 C8H13N2O3+ 1 185.0921 -1.45
+  186.0867 C7H12N3O3+ 2 186.0873 -3.2
+  195.0762 C9H11N2O3+ 1 195.0764 -1.3
+  203.1021 C8H15N2O4+ 2 203.1026 -2.44
+  205.0967 C11H13N2O2+ 2 205.0972 -2.09
+  210.0876 C9H12N3O3+ 1 210.0873 1.26
+  212.1028 C9H14N3O3+ 1 212.103 -1.01
+  215.1025 C9H15N2O4+ 1 215.1026 -0.84
+  217.0971 C12H13N2O2+ 1 217.0972 -0.25
+  218.0812 C12H12NO3+ 1 218.0812 -0.07
+  219.0762 C11H11N2O3+ 2 219.0764 -1.22
+  224.1034 C10H14N3O3+ 2 224.103 1.99
+  227.1029 C10H15N2O4+ 2 227.1026 1.11
+  237.1231 C12H17N2O3+ 2 237.1234 -1.15
+  238.082 C10H12N3O4+ 2 238.0822 -1.15
+  239.1137 C10H15N4O3+ 3 239.1139 -0.7
+  239.1507 C11H19N4O2+ 2 239.1503 1.95
+  240.0977 C10H14N3O4+ 1 240.0979 -0.59
+  242.1137 C10H16N3O4+ 3 242.1135 0.66
+  244.129 C10H18N3O4+ 2 244.1292 -0.75
+  245.0919 C13H13N2O3+ 3 245.0921 -0.78
+  246.1216 C11H14N6O+ 3 246.1224 -3.14
+  251.1127 C11H15N4O3+ 3 251.1139 -4.45
+  252.0974 C11H14N3O4+ 2 252.0979 -1.97
+  256.1286 C11H18N3O4+ 2 256.1292 -2.28
+  257.1243 C10H17N4O4+ 3 257.1244 -0.64
+  258.1081 C9H10N10+ 3 258.1084 -1.22
+  262.1186 C13H16N3O3+ 2 262.1186 0.06
+  262.1398 C10H20N3O5+ 4 262.1397 0.37
+  263.1025 C13H15N2O4+ 3 263.1026 -0.42
+  266.1133 C12H16N3O4+ 2 266.1135 -0.86
+  269.1249 C11H17N4O4+ 3 269.1244 1.88
+  277.0926 C12H13N4O4+ 3 277.0931 -2
+  283.1396 C12H19N4O4+ 3 283.1401 -1.64
+  284.1241 C11H12N10+ 5 284.1241 -0.13
+  295.1038 C13H11N8O+ 6 295.105 -4.35
+  300.1338 C16H18N3O3+ 6 300.1343 -1.39
+  301.1505 C11H15N11+ 6 301.1506 -0.32
+  302.1131 C15H16N3O4+ 5 302.1135 -1.33
+  311.1023 C17H15N2O4+ 6 311.1026 -1.02
+  312.1346 C3H20N8O9+ 7 312.1348 -0.55
+  323.1348 C13H13N11+ 8 323.135 -0.47
+  326.269 C5H38N6O9+ 5 326.2695 -1.57
+  328.1291 C3H20N8O10+ 8 328.1297 -1.78
+  336.2538 C6H36N6O9+ 6 336.2538 0.01
+  340.1614 C14H22N5O5+ 7 340.1615 -0.54
+  343.1608 C13H17N11O+ 6 343.1612 -1.16
+  344.2794 C19H38NO4+ 6 344.2795 -0.31
+  346.1397 C16H14N10+ 9 346.1397 -0.17
+  349.1507 C16H21N4O5+ 9 349.1506 0.24
+  350.1352 C3H28NO17+ 9 350.1352 0.05
+  354.2635 C20H36NO4+ 6 354.2639 -0.96
+  366.1399 H26N6O16+ 9 366.14 -0.1
+  366.1784 C17H20N9O+ 8 366.1785 -0.46
+  367.1613 C16H23N4O6+ 10 367.1612 0.34
+  372.2744 C19H32N8+ 7 372.2744 -0.19
+  384.1879 C16H26N5O6+ 11 384.1878 0.34
+  393.1409 C3H23N9O13+ 10 393.141 -0.22
+  409.306 C23H41N2O4+ 9 409.3061 -0.19
+  410.1668 C3H26N10O13+ 14 410.1675 -1.67
+  419.2907 C10H41N7O10+ 9 419.2909 -0.6
+  444.188 C21H26N5O6+ 11 444.1878 0.57
+  455.3114 C23H37N9O+ 11 455.3116 -0.41
+  456.1886 C9H34N3O17+ 12 456.1883 0.72
+  473.322 C23H39N9O2+ 12 473.3221 -0.19
+  474.1986 C36H26O+ 12 474.1978 1.57
+  488.2151 C24H26N9O3+ 12 488.2153 -0.42
+  495.22 C21H31N6O8+ 15 495.2198 0.35
+  512.3329 C23H48N2O10+ 17 512.3303 4.96
+  538.3487 C16H52N5O14+ 18 538.3505 -3.37
+  673.2895 C14H51N5O24+ 29 673.2918 -3.54
+  678.4069 C22H60N7O16+ 29 678.4091 -3.24
+  681.387 C40H51N5O5+ 30 681.3885 -2.23
+  691.3936 H73N3O36+ 28 691.3968 -4.63
+  699.3974 C11H71O31+ 31 699.3974 0.06
+  800.4449 C56H56N4O+ 39 800.4449 0.01
+  985.5182 C45H75N7O17+ 46 985.5214 -3.25
+  1246.6573 C73H86N10O9+ 40 1246.6574 -0.06
+  1247.6398 C45H99N8O31+ 41 1247.6411 -0.98
+  1572.7247 C72H112N6O32+ 14 1572.7316 -4.37
+PK$NUM_PEAK: 99
+PK$PEAK: m/z int. rel.int.
+  129.0659 77869.7 31
+  130.0496 27289.8 10
+  134.06 251587.1 100
+  136.0754 42913.3 17
+  139.0863 50836.9 20
+  141.0657 47648.5 19
+  145.0972 55499.3 22
+  147.0763 81872.9 32
+  155.0814 90307.2 36
+  157.0972 73081 29
+  159.0766 27543 11
+  160.0599 40768.3 16
+  162.0548 1268919.4 507
+  167.0813 173665.7 69
+  168.0765 57047.3 22
+  169.0608 25866.1 10
+  173.092 672885.6 269
+  175.1078 106527.4 42
+  184.1083 59377.3 23
+  185.0918 188550.9 75
+  186.0867 70269.2 28
+  195.0762 48855.7 19
+  203.1021 99606.5 39
+  205.0967 42971.6 17
+  210.0876 48058.9 19
+  212.1028 301555 120
+  215.1025 40763.5 16
+  217.0971 42798.1 17
+  218.0812 25331 10
+  219.0762 43203.1 17
+  224.1034 26435 10
+  227.1029 44750.1 17
+  237.1231 41414.2 16
+  238.082 249157.5 99
+  239.1137 134308.5 53
+  239.1507 35497.4 14
+  240.0977 186671.7 74
+  242.1137 102388.6 40
+  244.129 362136.7 144
+  245.0919 2099339.5 839
+  246.1216 27290 10
+  251.1127 41153.1 16
+  252.0974 262833.1 105
+  256.1286 26132.2 10
+  257.1243 118384.3 47
+  258.1081 39559.8 15
+  262.1186 27293.1 10
+  262.1398 512652.5 205
+  263.1025 110359.2 44
+  266.1133 145334.8 58
+  269.1249 82258.8 32
+  277.0926 27281.4 10
+  283.1396 281066.2 112
+  284.1241 561240 224
+  295.1038 228654 91
+  300.1338 36548.9 14
+  301.1505 1063794.8 425
+  302.1131 70666.6 28
+  311.1023 72424.9 28
+  312.1346 99372.7 39
+  323.1348 367595.2 147
+  326.269 275298.6 110
+  328.1291 327881.5 131
+  336.2538 62805.7 25
+  340.1614 199576.8 79
+  343.1608 114743.5 45
+  344.2794 637041.9 254
+  346.1397 607736.6 243
+  349.1507 199801.3 79
+  350.1352 94590 37
+  354.2635 837729.4 335
+  366.1399 300299.8 120
+  366.1784 222625.2 89
+  367.1613 230571.2 92
+  372.2744 634082.9 253
+  384.1879 419323.5 167
+  393.1409 44393.1 17
+  409.306 179153.1 71
+  410.1668 397935.4 159
+  419.2907 58227.8 23
+  444.188 47415.1 18
+  455.3114 2497350.8 999
+  456.1886 33416.2 13
+  473.322 314800.6 125
+  474.1986 34518 13
+  488.2151 72884 29
+  495.22 110360.4 44
+  512.3329 231785.1 92
+  538.3487 928770.9 371
+  673.2895 44622.3 17
+  678.4069 137477 54
+  681.387 266156.8 106
+  691.3936 67799.5 27
+  699.3974 247794 99
+  800.4449 174958.2 69
+  985.5182 48086 19
+  1246.6573 249929.6 99
+  1247.6398 26348.2 10
+  1572.7247 25489.1 10
+//
diff --git a/Eawag/MSBNK-MLU-ED015505.txt b/Eawag/MSBNK-MLU-ED015505.txt
new file mode 100644
index 0000000000..23876379ed
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED015505.txt
@@ -0,0 +1,308 @@
+ACCESSION: MSBNK-MLU-ED015505
+RECORD_TITLE: Balticidin C; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+
+DATE: 2024.04.30
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], T.-H. Bui [dtc], S. Mundt [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 155
+CH$NAME: Balticidin C
+CH$NAME: (2R,3S,4R,5S,6S)-6-[(2S,3S,4R,5R)-2-[1-[[1-[[1-[[1-[[1-[[(Z)-1-[[(2S)-5-amino-1-[[2-[[1-[[(1R)-4-amino-1-carboxy-4-oxobutyl]amino]-1-oxo-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutan-2-yl]-methylamino]-2-oxoethyl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxobut-2-en-2-yl]amino]-3-hydroxy-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-2-hydroxy-1-oxohexadecan-3-yl]oxy-3,5-dihydroxyoxan-4-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C75H121N11O36
+CH$EXACT_MASS: 1751.797569
+CH$SMILES: O=C(NC(C(O)C)C(NC(C(C)O)C(NC(C(C)O)C(NC(C(N/C(C(N[C@H](C(NCC(N(C(C(N[C@H](CCC(N)=O)C(O)=O)=O)C(C)O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](CO)O1)C)=O)=O)CCC(N)=O)=O)=C\C)=O)C(O)C2=CC=C(O)C=C2)=O)=O)=O)C(O)C(O[C@H]3[C@@H](O)[C@H](O[C@H]4O[C@@H](C(O)=O)[C@@H](O)[C@@H](O)[C@@H]4O)[C@H](O)CO3)CCCCCCCCCCCCC
+CH$IUPAC: InChI=1S/C75H121N11O36/c1-8-10-11-12-13-14-15-16-17-18-19-20-42(119-73-60(104)61(41(92)31-117-73)121-75-59(103)56(100)57(101)62(122-75)72(115)116)54(98)70(112)84-49(34(5)90)66(108)82-47(32(3)88)65(107)83-48(33(4)89)67(109)85-50(52(96)36-21-23-37(91)24-22-36)68(110)79-38(9-2)64(106)80-39(25-27-44(76)93)63(105)78-29-46(95)86(7)51(69(111)81-40(71(113)114)26-28-45(77)94)35(6)118-74-58(102)55(99)53(97)43(30-87)120-74/h9,21-24,32-35,39-43,47-62,73-75,87-92,96-104H,8,10-20,25-31H2,1-7H3,(H2,76,93)(H2,77,94)(H,78,105)(H,79,110)(H,80,106)(H,81,111)(H,82,108)(H,83,107)(H,84,112)(H,85,109)(H,113,114)(H,115,116)/b38-9-/t32?,33?,34?,35?,39-,40+,41+,42?,43-,47?,48?,49?,50?,51?,52?,53-,54?,55+,56+,57-,58+,59-,60-,61+,62+,73-,74-,75-/m0/s1
+CH$LINK: PUBCHEM CID:146683689
+CH$LINK: INCHIKEY CXWFWZQJPYLHFZ-GGBPWVLZSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 120-1805
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.335 min
+MS$FOCUSED_ION: BASE_PEAK 885.42
+MS$FOCUSED_ION: PRECURSOR_M/Z 1752.8048
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 18852882.36
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0gvt-0895100000-9c6280ada131cf992963
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  122.0597 C7H8NO+ 1 122.06 -2.47
+  126.0544 C6H8NO2+ 1 126.055 -4.38
+  127.0503 C5H7N2O2+ 1 127.0502 0.62
+  127.086 C6H11N2O+ 1 127.0866 -4.24
+  129.0658 C5H9N2O2+ 1 129.0659 -0.37
+  130.0497 C5H8NO3+ 1 130.0499 -1.55
+  130.0863 C6H12NO2+ 1 130.0863 0.38
+  133.0641 C9H9O+ 1 133.0648 -4.95
+  134.06 C8H8NO+ 1 134.06 -0.44
+  136.0756 C8H10NO+ 1 136.0757 -0.5
+  137.1319 C10H17+ 1 137.1325 -3.93
+  139.0865 C7H11N2O+ 1 139.0866 -0.91
+  140.07 C7H10NO2+ 1 140.0706 -4.14
+  140.0812 C6H10N3O+ 1 140.0818 -4.49
+  141.0658 C6H9N2O2+ 1 141.0659 -0.2
+  142.0498 C6H8NO3+ 1 142.0499 -0.82
+  144.0654 C6H10NO3+ 1 144.0655 -1.14
+  145.0969 C6H13N2O2+ 1 145.0972 -1.71
+  147.0761 C5H11N2O3+ 1 147.0764 -1.96
+  151.0494 C5H5N5O+ 1 151.0489 3.84
+  153.0651 C7H9N2O2+ 2 153.0659 -4.84
+  155.0814 C7H11N2O2+ 1 155.0815 -0.68
+  157.0969 C7H13N2O2+ 1 157.0972 -1.38
+  159.0766 C6H11N2O3+ 1 159.0764 1.25
+  160.0598 C6H10NO4+ 2 160.0604 -4.13
+  160.0751 C10H10NO+ 2 160.0757 -3.74
+  162.0548 C9H8NO2+ 1 162.055 -0.96
+  165.0652 C8H9N2O2+ 2 165.0659 -3.9
+  167.0813 C8H11N2O2+ 1 167.0815 -1.06
+  168.0765 C7H10N3O2+ 1 168.0768 -1.37
+  169.0605 C7H9N2O3+ 1 169.0608 -1.85
+  171.076 C7H11N2O3+ 1 171.0764 -2.66
+  173.0919 C7H13N2O3+ 1 173.0921 -1.07
+  174.0909 C11H12NO+ 1 174.0913 -2.65
+  175.1076 C7H15N2O3+ 1 175.1077 -0.81
+  181.0973 C9H13N2O2+ 1 181.0972 0.96
+  183.0765 C8H11N2O3+ 1 183.0764 0.31
+  184.108 C8H14N3O2+ 1 184.1081 -0.35
+  185.0918 C8H13N2O3+ 1 185.0921 -1.37
+  186.087 C7H12N3O3+ 1 186.0873 -1.73
+  193.0608 C9H9N2O3+ 1 193.0608 -0.02
+  193.0968 C10H13N2O2+ 1 193.0972 -1.72
+  194.0919 C9H12N3O2+ 2 194.0924 -2.77
+  195.0763 C9H11N2O3+ 1 195.0764 -0.44
+  196.1083 C9H14N3O2+ 1 196.1081 1.43
+  197.0914 C9H13N2O3+ 2 197.0921 -3.56
+  200.0702 C12H10NO2+ 2 200.0706 -1.82
+  202.0495 C11H8NO3+ 1 202.0499 -1.63
+  203.1021 C8H15N2O4+ 2 203.1026 -2.81
+  205.097 C11H13N2O2+ 1 205.0972 -0.82
+  206.0917 C10H12N3O2+ 2 206.0924 -3.3
+  207.0763 C10H11N2O3+ 1 207.0764 -0.58
+  207.2105 C15H27+ 3 207.2107 -1.02
+  210.0871 C9H12N3O3+ 1 210.0873 -0.99
+  211.1073 C10H15N2O3+ 2 211.1077 -2.21
+  212.1027 C9H14N3O3+ 2 212.103 -1.37
+  215.1025 C9H15N2O4+ 1 215.1026 -0.56
+  217.0974 C12H13N2O2+ 1 217.0972 1.29
+  217.1171 C7H15N5O3+ 1 217.1169 0.96
+  217.1954 C16H25+ 2 217.1951 1.4
+  218.08 C10H10N4O2+ 1 218.0798 0.7
+  219.0765 C11H11N2O3+ 1 219.0764 0.18
+  222.0874 C10H12N3O3+ 1 222.0873 0.25
+  222.1231 C11H16N3O2+ 2 222.1237 -2.75
+  224.1026 C10H14N3O3+ 2 224.103 -1.76
+  225.0869 C10H13N2O4+ 1 225.087 -0.48
+  225.2205 C15H29O+ 3 225.2213 -3.33
+  227.1021 C10H15N2O4+ 2 227.1026 -2.38
+  228.065 C13H10NO3+ 2 228.0655 -2.08
+  234.085 C8H14N2O6+ 3 234.0846 1.56
+  235.0712 C11H11N2O4+ 1 235.0713 -0.52
+  235.2054 C16H27O+ 5 235.2056 -1.17
+  237.123 C12H17N2O3+ 2 237.1234 -1.67
+  238.082 C10H12N3O4+ 2 238.0822 -0.82
+  238.1178 C11H16N3O3+ 2 238.1186 -3.3
+  239.1144 C10H15N4O3+ 2 239.1139 2.37
+  239.1505 C11H19N4O2+ 2 239.1503 1.05
+  240.098 C10H14N3O4+ 1 240.0979 0.43
+  240.1336 C11H18N3O3+ 2 240.1343 -2.97
+  242.1134 C10H16N3O4+ 1 242.1135 -0.54
+  244.129 C10H18N3O4+ 2 244.1292 -0.81
+  245.0918 C13H13N2O3+ 3 245.0921 -0.91
+  246.0753 C13H12NO4+ 2 246.0761 -3.09
+  248.1032 C12H14N3O3+ 2 248.103 0.77
+  250.0829 C11H12N3O4+ 3 250.0822 2.85
+  250.1189 C12H16N3O3+ 2 250.1186 1.05
+  251.1147 C11H15N4O3+ 2 251.1139 3.39
+  252.0975 C11H14N3O4+ 2 252.0979 -1.43
+  252.232 C16H30NO+ 5 252.2322 -0.7
+  256.1301 C11H18N3O4+ 3 256.1292 3.56
+  257.1243 C10H17N4O4+ 3 257.1244 -0.4
+  262.1178 C13H16N3O3+ 3 262.1186 -2.97
+  262.1405 C10H20N3O5+ 4 262.1397 2.93
+  263.1022 C13H15N2O4+ 3 263.1026 -1.58
+  264.0974 C12H14N3O4+ 2 264.0979 -1.72
+  264.2323 C17H30NO+ 4 264.2322 0.24
+  265.1296 C12H17N4O3+ 2 265.1295 0.42
+  266.1133 C12H16N3O4+ 2 266.1135 -0.75
+  269.1242 C11H17N4O4+ 3 269.1244 -0.73
+  271.1076 C15H15N2O3+ 5 271.1077 -0.52
+  277.0936 C12H13N4O4+ 3 277.0931 1.63
+  278.0769 C11H6N10+ 3 278.0771 -0.9
+  283.109 C3H23O14+ 6 283.1082 2.85
+  283.139 C11H23O8+ 3 283.1387 1.03
+  284.1252 C12H18N3O5+ 5 284.1241 4.04
+  285.0866 C15H13N2O4+ 5 285.087 -1.3
+  290.2476 C19H32NO+ 5 290.2478 -0.82
+  295.1043 C13H11N8O+ 5 295.105 -2.38
+  298.2749 C18H36NO2+ 4 298.2741 2.72
+  301.1504 C11H15N11+ 4 301.1506 -0.72
+  302.1138 C15H16N3O4+ 6 302.1135 1
+  306.1082 C13H10N10+ 5 306.1084 -0.8
+  308.2583 C19H34NO2+ 5 308.2584 -0.19
+  310.1185 C17H16N3O3+ 7 310.1186 -0.52
+  311.1017 C17H15N2O4+ 7 311.1026 -3.08
+  312.1347 C3H20N8O9+ 7 312.1348 -0.35
+  318.2434 C7H30N10O4+ 6 318.2446 -3.93
+  326.2688 C5H38N6O9+ 5 326.2695 -1.94
+  328.1288 C3H20N8O10+ 6 328.1297 -2.71
+  332.1242 C16H18N3O5+ 9 332.1241 0.3
+  336.2536 C6H36N6O9+ 7 336.2538 -0.62
+  343.161 C13H17N11O+ 8 343.1612 -0.72
+  344.2793 C19H38NO4+ 6 344.2795 -0.58
+  346.1395 C16H14N10+ 9 346.1397 -0.7
+  354.2637 C20H36NO4+ 6 354.2639 -0.61
+  356.1239 C3H24N4O15+ 9 356.1233 1.77
+  366.1399 H26N6O16+ 9 366.14 -0.1
+  367.1655 C21H23N2O4+ 9 367.1652 0.69
+  409.306 C23H41N2O4+ 9 409.3061 -0.27
+  429.2087 C17H29N6O7+ 13 429.2092 -1.16
+  437.3011 C24H41N2O5+ 10 437.301 0.18
+  455.3115 C23H37N9O+ 11 455.3116 -0.07
+  495.2199 C21H31N6O8+ 15 495.2198 0.29
+PK$NUM_PEAK: 133
+PK$PEAK: m/z int. rel.int.
+  122.0597 26874.8 13
+  126.0544 35659.4 17
+  127.0503 59729.5 29
+  127.086 37331.1 18
+  129.0658 197830.3 97
+  130.0497 75230.7 37
+  130.0863 105632.6 52
+  133.0641 22107.7 10
+  134.06 671490.4 331
+  136.0756 59326.5 29
+  137.1319 31040.3 15
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+  140.07 33060.3 16
+  140.0812 84870.1 41
+  141.0658 188818.8 93
+  142.0498 284006.5 140
+  144.0654 29955.5 14
+  145.0969 105110.7 51
+  147.0761 130575.2 64
+  151.0494 22107.5 10
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+  155.0814 165818 81
+  157.0969 180562.4 89
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+  160.0598 52590.1 25
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+  162.0548 1311751.5 646
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+  495.2199 64781.2 31
+//
diff --git a/Eawag/MSBNK-MLU-ED015506.txt b/Eawag/MSBNK-MLU-ED015506.txt
new file mode 100644
index 0000000000..0b92cfaed4
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED015506.txt
@@ -0,0 +1,318 @@
+ACCESSION: MSBNK-MLU-ED015506
+RECORD_TITLE: Balticidin C; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+
+DATE: 2024.04.30
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], T.-H. Bui [dtc], S. Mundt [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 155
+CH$NAME: Balticidin C
+CH$NAME: (2R,3S,4R,5S,6S)-6-[(2S,3S,4R,5R)-2-[1-[[1-[[1-[[1-[[1-[[(Z)-1-[[(2S)-5-amino-1-[[2-[[1-[[(1R)-4-amino-1-carboxy-4-oxobutyl]amino]-1-oxo-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutan-2-yl]-methylamino]-2-oxoethyl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxobut-2-en-2-yl]amino]-3-hydroxy-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-2-hydroxy-1-oxohexadecan-3-yl]oxy-3,5-dihydroxyoxan-4-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C75H121N11O36
+CH$EXACT_MASS: 1751.797569
+CH$SMILES: O=C(NC(C(O)C)C(NC(C(C)O)C(NC(C(C)O)C(NC(C(N/C(C(N[C@H](C(NCC(N(C(C(N[C@H](CCC(N)=O)C(O)=O)=O)C(C)O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](CO)O1)C)=O)=O)CCC(N)=O)=O)=C\C)=O)C(O)C2=CC=C(O)C=C2)=O)=O)=O)C(O)C(O[C@H]3[C@@H](O)[C@H](O[C@H]4O[C@@H](C(O)=O)[C@@H](O)[C@@H](O)[C@@H]4O)[C@H](O)CO3)CCCCCCCCCCCCC
+CH$IUPAC: InChI=1S/C75H121N11O36/c1-8-10-11-12-13-14-15-16-17-18-19-20-42(119-73-60(104)61(41(92)31-117-73)121-75-59(103)56(100)57(101)62(122-75)72(115)116)54(98)70(112)84-49(34(5)90)66(108)82-47(32(3)88)65(107)83-48(33(4)89)67(109)85-50(52(96)36-21-23-37(91)24-22-36)68(110)79-38(9-2)64(106)80-39(25-27-44(76)93)63(105)78-29-46(95)86(7)51(69(111)81-40(71(113)114)26-28-45(77)94)35(6)118-74-58(102)55(99)53(97)43(30-87)120-74/h9,21-24,32-35,39-43,47-62,73-75,87-92,96-104H,8,10-20,25-31H2,1-7H3,(H2,76,93)(H2,77,94)(H,78,105)(H,79,110)(H,80,106)(H,81,111)(H,82,108)(H,83,107)(H,84,112)(H,85,109)(H,113,114)(H,115,116)/b38-9-/t32?,33?,34?,35?,39-,40+,41+,42?,43-,47?,48?,49?,50?,51?,52?,53-,54?,55+,56+,57-,58+,59-,60-,61+,62+,73-,74-,75-/m0/s1
+CH$LINK: PUBCHEM CID:146683689
+CH$LINK: INCHIKEY CXWFWZQJPYLHFZ-GGBPWVLZSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 120-1805
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.335 min
+MS$FOCUSED_ION: BASE_PEAK 885.42
+MS$FOCUSED_ION: PRECURSOR_M/Z 1752.8048
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 18852882.36
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-02av-0940000000-f4bce5751a2f797f9bd3
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  121.101 C9H13+ 1 121.1012 -1.67
+  122.06 C7H8NO+ 1 122.06 -0.66
+  123.0548 C6H7N2O+ 1 123.0553 -4.06
+  123.117 C9H15+ 1 123.1168 1.35
+  124.0394 C6H6NO2+ 1 124.0393 0.66
+  125.071 C6H9N2O+ 1 125.0709 0.09
+  125.1325 C9H17+ 1 125.1325 -0.14
+  126.055 C6H8NO2+ 1 126.055 0.59
+  127.0502 C5H7N2O2+ 1 127.0502 -0.04
+  127.0864 C6H11N2O+ 1 127.0866 -1.42
+  129.0657 C5H9N2O2+ 1 129.0659 -0.96
+  129.1016 C6H13N2O+ 1 129.1022 -4.8
+  130.0497 C5H8NO3+ 1 130.0499 -0.96
+  130.0862 C6H12NO2+ 1 130.0863 -0.44
+  131.0814 C5H11N2O2+ 1 131.0815 -1.04
+  133.0526 C8H7NO+ 1 133.0522 2.53
+  134.06 C8H8NO+ 1 134.06 -0.44
+  135.1167 C10H15+ 1 135.1168 -0.72
+  136.0754 C8H10NO+ 1 136.0757 -1.85
+  137.0709 C7H9N2O+ 1 137.0709 -0.48
+  138.0545 C7H8NO2+ 1 138.055 -3.19
+  139.0865 C7H11N2O+ 1 139.0866 -0.91
+  140.07 C7H10NO2+ 1 140.0706 -4.58
+  140.0811 C6H10N3O+ 2 140.0818 -4.92
+  141.0658 C6H9N2O2+ 1 141.0659 -0.31
+  142.0498 C6H8NO3+ 1 142.0499 -0.49
+  144.065 C6H10NO3+ 1 144.0655 -3.9
+  145.097 C6H13N2O2+ 1 145.0972 -1.08
+  147.0764 C5H11N2O3+ 1 147.0764 -0.4
+  149.0706 C8H9N2O+ 1 149.0709 -2.25
+  151.0494 C5H5N5O+ 1 151.0489 3.84
+  151.0859 C8H11N2O+ 2 151.0866 -4.5
+  151.1475 C11H19+ 1 151.1481 -4.19
+  153.0656 C7H9N2O2+ 1 153.0659 -1.55
+  155.0451 C6H7N2O3+ 1 155.0451 -0.23
+  155.0814 C7H11N2O2+ 1 155.0815 -0.68
+  157.0969 C7H13N2O2+ 1 157.0972 -1.67
+  160.0601 C6H10NO4+ 1 160.0604 -2.04
+  160.075 C10H10NO+ 2 160.0757 -4.59
+  162.0548 C9H8NO2+ 1 162.055 -0.96
+  164.0817 C8H10N3O+ 1 164.0818 -1.1
+  165.0658 C8H9N2O2+ 1 165.0659 -0.39
+  167.0813 C8H11N2O2+ 1 167.0815 -1.06
+  168.0764 C7H10N3O2+ 1 168.0768 -1.92
+  169.0606 C7H9N2O3+ 1 169.0608 -0.85
+  170.0442 C7H8NO4+ 2 170.0448 -3.57
+  171.0759 C7H11N2O3+ 2 171.0764 -3.2
+  172.0746 C9H8N4+ 1 172.0743 1.6
+  173.0921 C7H13N2O3+ 1 173.0921 -0.1
+  174.0541 C8H6N4O+ 1 174.0536 2.57
+  174.0912 C11H12NO+ 1 174.0913 -0.54
+  175.1077 C7H15N2O3+ 1 175.1077 -0.2
+  177.1014 C10H13N2O+ 2 177.1022 -4.89
+  178.097 C9H12N3O+ 2 178.0975 -2.76
+  179.0814 C9H11N2O2+ 1 179.0815 -0.8
+  180.0762 C8H10N3O2+ 2 180.0768 -3.12
+  181.0601 C8H9N2O3+ 2 181.0608 -3.62
+  181.0837 C6H9N6O+ 2 181.0832 2.5
+  181.0974 C9H13N2O2+ 1 181.0972 1.55
+  183.0755 C8H11N2O3+ 2 183.0764 -4.94
+  184.1075 C8H14N3O2+ 2 184.1081 -2.84
+  185.0919 C8H13N2O3+ 1 185.0921 -0.95
+  186.0869 C7H12N3O3+ 2 186.0873 -2.46
+  188.0704 C11H10NO2+ 1 188.0706 -1.34
+  189.0653 C10H9N2O2+ 2 189.0659 -2.82
+  189.1018 C11H13N2O+ 2 189.1022 -2.54
+  190.0855 C9H10N4O+ 2 190.0849 3.14
+  192.0761 C9H10N3O2+ 2 192.0768 -3.49
+  193.0606 C9H9N2O3+ 1 193.0608 -1.04
+  194.0927 C9H12N3O2+ 1 194.0924 1.63
+  195.0761 C9H11N2O3+ 1 195.0764 -1.45
+  196.108 C9H14N3O2+ 1 196.1081 -0.44
+  197.0918 C9H13N2O3+ 1 197.0921 -1.23
+  199.0864 C12H11N2O+ 1 199.0866 -1.04
+  199.1072 C9H15N2O3+ 2 199.1077 -2.63
+  200.0701 C12H10NO2+ 2 200.0706 -2.51
+  202.0494 C11H8NO3+ 2 202.0499 -2.24
+  202.0858 C12H12NO2+ 2 202.0863 -2.28
+  203.1026 C8H15N2O4+ 1 203.1026 -0.18
+  205.0968 C11H13N2O2+ 1 205.0972 -1.49
+  206.0925 C10H12N3O2+ 1 206.0924 0.33
+  207.0767 C10H11N2O3+ 1 207.0764 1.19
+  210.0874 C9H12N3O3+ 1 210.0873 0.31
+  211.1072 C10H15N2O3+ 2 211.1077 -2.28
+  212.1029 C9H14N3O3+ 1 212.103 -0.51
+  215.1021 C9H15N2O4+ 2 215.1026 -2.4
+  217.0971 C12H13N2O2+ 1 217.0972 -0.11
+  217.1948 C16H25+ 4 217.1951 -1.2
+  219.0762 C11H11N2O3+ 1 219.0764 -1.08
+  220.1074 C11H14N3O2+ 2 220.1081 -2.95
+  222.0869 C10H12N3O3+ 2 222.0873 -2.02
+  222.123 C11H16N3O2+ 2 222.1237 -3.09
+  223.0706 C10H11N2O4+ 2 223.0713 -3.4
+  224.103 C10H14N3O3+ 1 224.103 0.35
+  225.2211 C15H29O+ 3 225.2213 -0.89
+  227.0809 C13H11N2O2+ 3 227.0815 -2.6
+  227.102 C10H15N2O4+ 2 227.1026 -2.99
+  229.0968 C13H13N2O2+ 3 229.0972 -1.6
+  235.0711 C11H11N2O4+ 2 235.0713 -1.1
+  238.0821 C10H12N3O4+ 1 238.0822 -0.57
+  238.1187 C11H16N3O3+ 1 238.1186 0.16
+  239.114 C10H15N4O3+ 1 239.1139 0.52
+  239.1506 C11H19N4O2+ 2 239.1503 1.44
+  240.0982 C10H14N3O4+ 3 240.0979 1.19
+  240.1336 C11H18N3O3+ 2 240.1343 -2.97
+  242.1132 C10H16N3O4+ 2 242.1135 -1.42
+  244.107 C11H12N6O+ 2 244.1067 1.11
+  244.1291 C10H18N3O4+ 1 244.1292 -0.25
+  245.0918 C13H13N2O3+ 3 245.0921 -0.91
+  246.0756 C13H12NO4+ 2 246.0761 -2.16
+  248.1025 C12H14N3O3+ 2 248.103 -1.93
+  250.0817 C11H12N3O4+ 2 250.0822 -2.03
+  250.1185 C12H16N3O3+ 1 250.1186 -0.29
+  252.0974 C11H14N3O4+ 2 252.0979 -1.73
+  252.2318 C16H30NO+ 5 252.2322 -1.37
+  253.2152 C16H29O2+ 4 253.2162 -3.79
+  255.113 C15H15N2O2+ 4 255.1128 0.77
+  256.1067 C12H12N6O+ 1 256.1067 -0.09
+  256.129 C11H18N3O4+ 2 256.1292 -0.61
+  257.0922 C14H13N2O3+ 3 257.0921 0.37
+  262.1178 C13H16N3O3+ 2 262.1186 -3.08
+  264.098 C12H14N3O4+ 3 264.0979 0.48
+  264.2317 C17H30NO+ 5 264.2322 -1.72
+  265.1293 C12H17N4O3+ 3 265.1295 -0.85
+  266.1126 C12H16N3O4+ 2 266.1135 -3.62
+  271.1081 C15H15N2O3+ 4 271.1077 1.39
+  278.0766 C11H6N10+ 3 278.0771 -1.88
+  285.0869 C15H13N2O4+ 5 285.087 -0.45
+  298.2733 C18H36NO2+ 6 298.2741 -2.49
+  300.1342 C16H18N3O3+ 7 300.1343 -0.17
+  301.1506 C11H15N11+ 6 301.1506 -0.22
+  308.2581 C19H34NO2+ 5 308.2584 -0.99
+  310.1175 C17H16N3O3+ 6 310.1186 -3.47
+  311.1023 C17H15N2O4+ 6 311.1026 -0.92
+  318.2435 C7H30N10O4+ 6 318.2446 -3.45
+  326.2687 C5H38N6O9+ 5 326.2695 -2.41
+  328.1288 C3H20N8O10+ 6 328.1297 -2.71
+  344.2791 C4H44N2O14+ 5 344.2787 1.12
+PK$NUM_PEAK: 138
+PK$PEAK: m/z int. rel.int.
+  121.101 26784.8 19
+  122.06 75055 55
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+  344.2791 60468 45
+//
diff --git a/Eawag/MSBNK-MLU-ED015507.txt b/Eawag/MSBNK-MLU-ED015507.txt
new file mode 100644
index 0000000000..e4294f4f33
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED015507.txt
@@ -0,0 +1,294 @@
+ACCESSION: MSBNK-MLU-ED015507
+RECORD_TITLE: Balticidin C; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+
+DATE: 2024.04.30
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], T.-H. Bui [dtc], S. Mundt [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 155
+CH$NAME: Balticidin C
+CH$NAME: (2R,3S,4R,5S,6S)-6-[(2S,3S,4R,5R)-2-[1-[[1-[[1-[[1-[[1-[[(Z)-1-[[(2S)-5-amino-1-[[2-[[1-[[(1R)-4-amino-1-carboxy-4-oxobutyl]amino]-1-oxo-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutan-2-yl]-methylamino]-2-oxoethyl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxobut-2-en-2-yl]amino]-3-hydroxy-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-2-hydroxy-1-oxohexadecan-3-yl]oxy-3,5-dihydroxyoxan-4-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C75H121N11O36
+CH$EXACT_MASS: 1751.797569
+CH$SMILES: O=C(NC(C(O)C)C(NC(C(C)O)C(NC(C(C)O)C(NC(C(N/C(C(N[C@H](C(NCC(N(C(C(N[C@H](CCC(N)=O)C(O)=O)=O)C(C)O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](CO)O1)C)=O)=O)CCC(N)=O)=O)=C\C)=O)C(O)C2=CC=C(O)C=C2)=O)=O)=O)C(O)C(O[C@H]3[C@@H](O)[C@H](O[C@H]4O[C@@H](C(O)=O)[C@@H](O)[C@@H](O)[C@@H]4O)[C@H](O)CO3)CCCCCCCCCCCCC
+CH$IUPAC: InChI=1S/C75H121N11O36/c1-8-10-11-12-13-14-15-16-17-18-19-20-42(119-73-60(104)61(41(92)31-117-73)121-75-59(103)56(100)57(101)62(122-75)72(115)116)54(98)70(112)84-49(34(5)90)66(108)82-47(32(3)88)65(107)83-48(33(4)89)67(109)85-50(52(96)36-21-23-37(91)24-22-36)68(110)79-38(9-2)64(106)80-39(25-27-44(76)93)63(105)78-29-46(95)86(7)51(69(111)81-40(71(113)114)26-28-45(77)94)35(6)118-74-58(102)55(99)53(97)43(30-87)120-74/h9,21-24,32-35,39-43,47-62,73-75,87-92,96-104H,8,10-20,25-31H2,1-7H3,(H2,76,93)(H2,77,94)(H,78,105)(H,79,110)(H,80,106)(H,81,111)(H,82,108)(H,83,107)(H,84,112)(H,85,109)(H,113,114)(H,115,116)/b38-9-/t32?,33?,34?,35?,39-,40+,41+,42?,43-,47?,48?,49?,50?,51?,52?,53-,54?,55+,56+,57-,58+,59-,60-,61+,62+,73-,74-,75-/m0/s1
+CH$LINK: PUBCHEM CID:146683689
+CH$LINK: INCHIKEY CXWFWZQJPYLHFZ-GGBPWVLZSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 120-1805
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.335 min
+MS$FOCUSED_ION: BASE_PEAK 885.42
+MS$FOCUSED_ION: PRECURSOR_M/Z 1752.8048
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 18852882.36
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-02ai-0920000000-dc6956508b5877016706
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  122.0601 C7H8NO+ 1 122.06 0.72
+  123.0913 C7H11N2+ 1 123.0917 -2.7
+  123.1169 C9H15+ 1 123.1168 0.6
+  124.0394 C6H6NO2+ 1 124.0393 0.72
+  124.0749 C5H8N4+ 1 124.0743 4.78
+  125.0709 C6H9N2O+ 1 125.0709 -0.03
+  125.1322 C9H17+ 1 125.1325 -2.09
+  126.0549 C6H8NO2+ 1 126.055 -0.32
+  127.0502 C5H7N2O2+ 1 127.0502 -0.28
+  127.086 C6H11N2O+ 1 127.0866 -4.24
+  129.0658 C5H9N2O2+ 1 129.0659 -0.72
+  130.0498 C5H8NO3+ 1 130.0499 -0.26
+  130.0862 C6H12NO2+ 1 130.0863 -0.09
+  131.0813 C5H11N2O2+ 1 131.0815 -1.28
+  132.0438 C8H6NO+ 1 132.0444 -4.32
+  133.0521 C8H7NO+ 1 133.0522 -1.14
+  133.0643 C9H9O+ 1 133.0648 -4.03
+  133.1008 C10H13+ 1 133.1012 -2.95
+  134.06 C8H8NO+ 1 134.06 -0.21
+  136.0758 C8H10NO+ 1 136.0757 1.07
+  137.1318 C10H17+ 1 137.1325 -4.71
+  138.0543 C7H8NO2+ 1 138.055 -4.51
+  139.0865 C7H11N2O+ 1 139.0866 -0.58
+  140.0813 C6H10N3O+ 1 140.0818 -4.05
+  141.0657 C6H9N2O2+ 1 141.0659 -0.74
+  142.0499 C6H8NO3+ 1 142.0499 -0.06
+  144.065 C6H10NO3+ 1 144.0655 -3.9
+  145.0641 C10H9O+ 2 145.0648 -4.66
+  145.0972 C6H13N2O2+ 1 145.0972 0.29
+  146.0598 C9H8NO+ 1 146.06 -1.7
+  147.0759 C5H11N2O3+ 1 147.0764 -3.72
+  150.0542 C6H6N4O+ 1 150.0536 3.92
+  151.0867 C8H11N2O+ 1 151.0866 0.45
+  151.1476 C11H19+ 1 151.1481 -3.69
+  153.0657 C7H9N2O2+ 1 153.0659 -0.86
+  155.0447 C6H7N2O3+ 1 155.0451 -2.79
+  155.0812 C7H11N2O2+ 1 155.0815 -1.96
+  156.0652 C7H10NO3+ 1 156.0655 -2.17
+  157.097 C7H13N2O2+ 1 157.0972 -1.28
+  158.0595 C8H6N4+ 2 158.0587 4.85
+  158.0922 C6H12N3O2+ 1 158.0924 -1.42
+  160.0386 C9H6NO2+ 2 160.0393 -4.16
+  160.0604 C6H10NO4+ 1 160.0604 -0.13
+  160.0751 C10H10NO+ 2 160.0757 -3.74
+  161.0707 C9H9N2O+ 1 161.0709 -1.4
+  162.0548 C9H8NO2+ 1 162.055 -0.77
+  163.0858 C9H11N2O+ 2 163.0866 -4.98
+  164.0812 C8H10N3O+ 2 164.0818 -4.08
+  165.0657 C8H9N2O2+ 1 165.0659 -0.66
+  167.0813 C8H11N2O2+ 1 167.0815 -0.97
+  168.0767 C7H10N3O2+ 1 168.0768 -0.37
+  169.0608 C7H9N2O3+ 1 169.0608 0.05
+  170.044 C7H8NO4+ 2 170.0448 -4.47
+  171.0756 C7H11N2O3+ 2 171.0764 -4.62
+  172.0747 C9H8N4+ 1 172.0743 1.95
+  173.0924 C7H13N2O3+ 1 173.0921 2.1
+  174.0912 C11H12NO+ 1 174.0913 -0.54
+  175.1071 C7H15N2O3+ 2 175.1077 -3.43
+  177.0655 C9H9N2O2+ 1 177.0659 -1.83
+  177.1021 C10H13N2O+ 1 177.1022 -0.75
+  178.0976 C9H12N3O+ 1 178.0975 0.84
+  179.0813 C9H11N2O2+ 1 179.0815 -1.31
+  180.0768 C8H10N3O2+ 1 180.0768 0.44
+  181.0603 C8H9N2O3+ 2 181.0608 -2.7
+  181.0969 C9H13N2O2+ 1 181.0972 -1.48
+  183.0762 C8H11N2O3+ 1 183.0764 -1.1
+  184.1083 C8H14N3O2+ 1 184.1081 1.3
+  185.0918 C8H13N2O3+ 1 185.0921 -1.37
+  188.0705 C11H10NO2+ 1 188.0706 -0.77
+  189.0654 C10H9N2O2+ 2 189.0659 -2.42
+  189.1014 C11H13N2O+ 2 189.1022 -4.56
+  190.0609 C9H8N3O2+ 1 190.0611 -0.92
+  190.0855 C9H10N4O+ 2 190.0849 2.98
+  192.0766 C9H10N3O2+ 1 192.0768 -0.94
+  193.0608 C9H9N2O3+ 1 193.0608 0.06
+  193.0971 C10H13N2O2+ 1 193.0972 -0.14
+  194.0924 C9H12N3O2+ 1 194.0924 -0.26
+  195.0763 C9H11N2O3+ 1 195.0764 -0.75
+  196.1078 C9H14N3O2+ 1 196.1081 -1.53
+  197.0914 C9H13N2O3+ 2 197.0921 -3.48
+  199.0862 C12H11N2O+ 2 199.0866 -1.96
+  200.0703 C12H10NO2+ 1 200.0706 -1.67
+  202.0495 C11H8NO3+ 2 202.0499 -2.01
+  202.0857 C12H12NO2+ 2 202.0863 -2.73
+  205.0972 C11H13N2O2+ 1 205.0972 0.3
+  206.0925 C10H12N3O2+ 1 206.0924 0.26
+  207.0762 C10H11N2O3+ 1 207.0764 -0.87
+  210.0872 C9H12N3O3+ 1 210.0873 -0.63
+  211.1074 C10H15N2O3+ 2 211.1077 -1.7
+  212.1027 C9H14N3O3+ 1 212.103 -1.3
+  217.0972 C12H13N2O2+ 1 217.0972 0.24
+  217.1944 C16H25+ 3 217.1951 -3.17
+  219.0769 C11H11N2O3+ 1 219.0764 2.34
+  220.1076 C11H14N3O2+ 2 220.1081 -2.26
+  222.0871 C10H12N3O3+ 1 222.0873 -0.99
+  222.1227 C11H16N3O2+ 2 222.1237 -4.33
+  224.1031 C10H14N3O3+ 1 224.103 0.49
+  225.2212 C15H29O+ 3 225.2213 -0.28
+  227.0812 C13H11N2O2+ 3 227.0815 -1.19
+  227.1016 C10H15N2O4+ 2 227.1026 -4.53
+  228.0647 C13H10NO3+ 2 228.0655 -3.68
+  229.0967 C13H13N2O2+ 3 229.0972 -1.8
+  235.071 C11H11N2O4+ 2 235.0713 -1.3
+  235.2055 C16H27O+ 4 235.2056 -0.46
+  238.0819 C10H12N3O4+ 2 238.0822 -1.53
+  240.0969 C10H14N3O4+ 2 240.0979 -4.21
+  240.1344 C11H18N3O3+ 1 240.1343 0.59
+  244.1292 C10H18N3O4+ 1 244.1292 -0.06
+  245.0919 C13H13N2O3+ 3 245.0921 -0.53
+  246.0752 C13H12NO4+ 2 246.0761 -3.59
+  250.0818 C11H12N3O4+ 2 250.0822 -1.54
+  252.098 C11H14N3O4+ 3 252.0979 0.39
+  253.2155 C16H29O2+ 5 253.2162 -2.95
+  255.112 C15H15N2O2+ 3 255.1128 -3.23
+  262.1179 C13H16N3O3+ 3 262.1186 -2.73
+  264.2318 C17H30NO+ 5 264.2322 -1.37
+  266.1129 C12H16N3O4+ 2 266.1135 -2.24
+  271.1064 C15H15N2O3+ 3 271.1077 -4.8
+  280.2634 C18H34NO+ 5 280.2635 -0.25
+  283.1087 C3H23O14+ 5 283.1082 1.77
+  284.1024 H20N4O13+ 5 284.1021 0.98
+  290.2484 C19H32NO+ 6 290.2478 1.8
+  302.1138 C15H16N3O4+ 6 302.1135 0.8
+  308.2591 C5H36N6O8+ 6 308.2589 0.54
+  310.1194 C17H16N3O3+ 5 310.1186 2.43
+  354.2636 C20H36NO4+ 6 354.2639 -0.7
+PK$NUM_PEAK: 126
+PK$PEAK: m/z int. rel.int.
+  122.0601 78110.7 58
+  123.0913 21773 16
+  123.1169 49815.7 37
+  124.0394 48350.8 36
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+  354.2636 110353.5 83
+//
diff --git a/Eawag/MSBNK-MLU-ED015508.txt b/Eawag/MSBNK-MLU-ED015508.txt
new file mode 100644
index 0000000000..6a69fa3b9b
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED015508.txt
@@ -0,0 +1,268 @@
+ACCESSION: MSBNK-MLU-ED015508
+RECORD_TITLE: Balticidin C; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+
+DATE: 2024.04.30
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], T.-H. Bui [dtc], S. Mundt [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 155
+CH$NAME: Balticidin C
+CH$NAME: (2R,3S,4R,5S,6S)-6-[(2S,3S,4R,5R)-2-[1-[[1-[[1-[[1-[[1-[[(Z)-1-[[(2S)-5-amino-1-[[2-[[1-[[(1R)-4-amino-1-carboxy-4-oxobutyl]amino]-1-oxo-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutan-2-yl]-methylamino]-2-oxoethyl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxobut-2-en-2-yl]amino]-3-hydroxy-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-2-hydroxy-1-oxohexadecan-3-yl]oxy-3,5-dihydroxyoxan-4-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C75H121N11O36
+CH$EXACT_MASS: 1751.797569
+CH$SMILES: O=C(NC(C(O)C)C(NC(C(C)O)C(NC(C(C)O)C(NC(C(N/C(C(N[C@H](C(NCC(N(C(C(N[C@H](CCC(N)=O)C(O)=O)=O)C(C)O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](CO)O1)C)=O)=O)CCC(N)=O)=O)=C\C)=O)C(O)C2=CC=C(O)C=C2)=O)=O)=O)C(O)C(O[C@H]3[C@@H](O)[C@H](O[C@H]4O[C@@H](C(O)=O)[C@@H](O)[C@@H](O)[C@@H]4O)[C@H](O)CO3)CCCCCCCCCCCCC
+CH$IUPAC: InChI=1S/C75H121N11O36/c1-8-10-11-12-13-14-15-16-17-18-19-20-42(119-73-60(104)61(41(92)31-117-73)121-75-59(103)56(100)57(101)62(122-75)72(115)116)54(98)70(112)84-49(34(5)90)66(108)82-47(32(3)88)65(107)83-48(33(4)89)67(109)85-50(52(96)36-21-23-37(91)24-22-36)68(110)79-38(9-2)64(106)80-39(25-27-44(76)93)63(105)78-29-46(95)86(7)51(69(111)81-40(71(113)114)26-28-45(77)94)35(6)118-74-58(102)55(99)53(97)43(30-87)120-74/h9,21-24,32-35,39-43,47-62,73-75,87-92,96-104H,8,10-20,25-31H2,1-7H3,(H2,76,93)(H2,77,94)(H,78,105)(H,79,110)(H,80,106)(H,81,111)(H,82,108)(H,83,107)(H,84,112)(H,85,109)(H,113,114)(H,115,116)/b38-9-/t32?,33?,34?,35?,39-,40+,41+,42?,43-,47?,48?,49?,50?,51?,52?,53-,54?,55+,56+,57-,58+,59-,60-,61+,62+,73-,74-,75-/m0/s1
+CH$LINK: PUBCHEM CID:146683689
+CH$LINK: INCHIKEY CXWFWZQJPYLHFZ-GGBPWVLZSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 120-1805
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.335 min
+MS$FOCUSED_ION: BASE_PEAK 885.42
+MS$FOCUSED_ION: PRECURSOR_M/Z 1752.8048
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 18852882.36
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-01q9-0920000000-b50d41ef019badc10c19
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  122.0601 C7H8NO+ 1 122.06 0.6
+  123.0553 C6H7N2O+ 1 123.0553 0.03
+  123.0913 C7H11N2+ 1 123.0917 -2.95
+  123.1168 C9H15+ 1 123.1168 -0.08
+  124.0395 C6H6NO2+ 1 124.0393 1.83
+  125.071 C6H9N2O+ 1 125.0709 0.58
+  126.0552 C6H8NO2+ 1 126.055 1.55
+  127.05 C5H7N2O2+ 1 127.0502 -1.24
+  127.0867 C6H11N2O+ 1 127.0866 0.86
+  129.0659 C5H9N2O2+ 1 129.0659 0.11
+  129.1023 C6H13N2O+ 1 129.1022 0.16
+  130.0495 C5H8NO3+ 1 130.0499 -2.6
+  130.0862 C6H12NO2+ 1 130.0863 -0.67
+  131.0814 C5H11N2O2+ 1 131.0815 -0.81
+  132.0445 C8H6NO+ 1 132.0444 0.53
+  133.052 C8H7NO+ 1 133.0522 -1.83
+  133.0645 C9H9O+ 1 133.0648 -2.19
+  133.1011 C10H13+ 1 133.1012 -0.65
+  134.06 C8H8NO+ 1 134.06 -0.32
+  135.1166 C10H15+ 1 135.1168 -1.74
+  136.0757 C8H10NO+ 1 136.0757 0.28
+  137.0709 C7H9N2O+ 1 137.0709 -0.15
+  137.1327 C10H17+ 1 137.1325 1.53
+  138.0545 C7H8NO2+ 1 138.055 -3.08
+  139.0865 C7H11N2O+ 1 139.0866 -0.58
+  140.0705 C7H10NO2+ 1 140.0706 -0.44
+  140.0819 C6H10N3O+ 1 140.0818 0.31
+  141.0658 C6H9N2O2+ 1 141.0659 -0.1
+  142.0499 C6H8NO3+ 1 142.0499 0.15
+  144.0556 C8H6N3+ 1 144.0556 -0.45
+  144.0655 C6H10NO3+ 1 144.0655 0.13
+  145.0648 C10H9O+ 1 145.0648 0.28
+  145.0969 C6H13N2O2+ 1 145.0972 -1.71
+  146.0603 C9H8NO+ 1 146.06 1.54
+  147.0768 C5H11N2O3+ 1 147.0764 2.4
+  149.0712 C8H9N2O+ 1 149.0709 1.43
+  150.0552 C8H8NO2+ 1 150.055 1.89
+  151.05 C7H7N2O2+ 1 151.0502 -1.52
+  151.0866 C8H11N2O+ 1 151.0866 0.24
+  152.0818 C7H10N3O+ 1 152.0818 -0.42
+  153.066 C7H9N2O2+ 1 153.0659 1.04
+  155.0813 C7H11N2O2+ 1 155.0815 -1.17
+  156.0655 C7H10NO3+ 1 156.0655 0.08
+  157.0968 C7H13N2O2+ 1 157.0972 -2.25
+  160.0394 C9H6NO2+ 1 160.0393 0.61
+  160.062 C7H6N5+ 1 160.0618 1.71
+  160.0752 C10H10NO+ 1 160.0757 -3.07
+  162.0548 C9H8NO2+ 1 162.055 -1.14
+  164.0818 C8H10N3O+ 1 164.0818 -0.08
+  165.0657 C8H9N2O2+ 1 165.0659 -0.85
+  167.0813 C8H11N2O2+ 1 167.0815 -0.97
+  168.0772 C7H10N3O2+ 1 168.0768 2.44
+  169.0607 C7H9N2O3+ 1 169.0608 -0.4
+  170.0452 C7H8NO4+ 1 170.0448 2.35
+  171.0768 C7H11N2O3+ 1 171.0764 2.07
+  173.092 C7H13N2O3+ 1 173.0921 -0.19
+  174.0914 C11H12NO+ 1 174.0913 0.33
+  175.108 C7H15N2O3+ 1 175.1077 1.45
+  177.0657 C9H9N2O2+ 1 177.0659 -1.14
+  177.1021 C10H13N2O+ 1 177.1022 -0.75
+  178.0978 C9H12N3O+ 1 178.0975 1.61
+  179.0813 C9H11N2O2+ 1 179.0815 -0.97
+  181.0612 C8H9N2O3+ 1 181.0608 2.36
+  184.1083 C8H14N3O2+ 1 184.1081 1.55
+  185.0921 C8H13N2O3+ 1 185.0921 -0.05
+  188.0705 C11H10NO2+ 1 188.0706 -0.44
+  189.1028 C11H13N2O+ 1 189.1022 2.78
+  190.0618 C9H8N3O2+ 2 190.0611 3.65
+  191.0821 C10H11N2O2+ 1 191.0815 2.93
+  192.0773 C9H10N3O2+ 2 192.0768 2.95
+  193.0606 C9H9N2O3+ 1 193.0608 -0.65
+  193.0977 C10H13N2O2+ 1 193.0972 2.71
+  194.0926 C9H12N3O2+ 1 194.0924 1.08
+  195.0761 C9H11N2O3+ 1 195.0764 -1.76
+  196.1086 C9H14N3O2+ 2 196.1081 2.68
+  197.0921 C9H13N2O3+ 1 197.0921 0.01
+  199.1078 C9H15N2O3+ 1 199.1077 0.28
+  200.0701 C12H10NO2+ 2 200.0706 -2.43
+  202.0505 C11H8NO3+ 1 202.0499 3.05
+  202.0872 C12H12NO2+ 2 202.0863 4.59
+  205.0973 C11H13N2O2+ 1 205.0972 0.82
+  206.0925 C10H12N3O2+ 1 206.0924 0.63
+  207.0762 C10H11N2O3+ 1 207.0764 -1.17
+  207.2109 C15H27+ 3 207.2107 0.89
+  210.0869 C9H12N3O3+ 2 210.0873 -2.16
+  211.1083 C10H15N2O3+ 1 211.1077 2.56
+  212.1031 C9H14N3O3+ 1 212.103 0.64
+  217.0969 C12H13N2O2+ 1 217.0972 -1.17
+  217.196 C16H25+ 4 217.1951 4.21
+  218.0807 C12H12NO3+ 2 218.0812 -2.3
+  219.0761 C11H11N2O3+ 2 219.0764 -1.63
+  222.0875 C10H12N3O3+ 1 222.0873 0.86
+  224.1026 C10H14N3O3+ 2 224.103 -1.76
+  225.2216 C15H29O+ 2 225.2213 1.41
+  227.1022 C10H15N2O4+ 2 227.1026 -1.91
+  228.066 C13H10NO3+ 1 228.0655 2.21
+  235.0711 C11H11N2O4+ 2 235.0713 -0.97
+  235.2053 C16H27O+ 5 235.2056 -1.62
+  238.0817 C10H12N3O4+ 2 238.0822 -2.04
+  238.119 C11H16N3O3+ 2 238.1186 1.64
+  240.1353 C11H18N3O3+ 2 240.1343 4.27
+  242.1143 C10H16N3O4+ 3 242.1135 3.3
+  245.0919 C13H13N2O3+ 3 245.0921 -0.72
+  246.0759 C13H12NO4+ 2 246.0761 -0.67
+  252.0979 C11H14N3O4+ 1 252.0979 0.15
+  252.2321 C16H30NO+ 4 252.2322 -0.22
+  253.098 C2H21O13+ 5 253.0977 1.31
+  253.217 C16H29O2+ 4 253.2162 3.14
+  271.1087 C15H15N2O3+ 5 271.1077 3.76
+  280.2636 C18H34NO+ 4 280.2635 0.51
+  283.1087 C3H23O14+ 5 283.1082 1.55
+  290.2476 C19H32NO+ 5 290.2478 -0.93
+  308.2579 C4H40N2O12+ 5 308.2576 1.21
+PK$NUM_PEAK: 113
+PK$PEAK: m/z int. rel.int.
+  122.0601 77161.2 56
+  123.0553 60857.5 44
+  123.0913 15358.1 11
+  123.1168 60504.1 44
+  124.0395 53029.3 38
+  125.071 80342.9 59
+  126.0552 63282.5 46
+  127.05 84773.7 62
+  127.0867 63546.2 46
+  129.0659 129348.7 95
+  129.1023 14472.6 10
+  130.0495 75820.5 55
+  130.0862 229033.4 168
+  131.0814 23667.2 17
+  132.0445 23010.1 16
+  133.052 30662.2 22
+  133.0645 64542.2 47
+  133.1011 24232.3 17
+  134.06 1359232.5 999
+  135.1166 20338.8 14
+  136.0757 62720.3 46
+  137.0709 28462.5 20
+  137.1327 32952.1 24
+  138.0545 24423.8 17
+  139.0865 530889.9 390
+  140.0705 70056.8 51
+  140.0819 117123.1 86
+  141.0658 214368.1 157
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+  144.0556 17616.2 12
+  144.0655 54238.1 39
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+  238.0817 87538.8 64
+  238.119 23867 17
+  240.1353 30221.6 22
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+  245.0919 452017.8 332
+  246.0759 54182.4 39
+  252.0979 47340.5 34
+  252.2321 52467.5 38
+  253.098 25030.2 18
+  253.217 26580.4 19
+  271.1087 15363.9 11
+  280.2636 52521.9 38
+  283.1087 21032.9 15
+  290.2476 46769.1 34
+  308.2579 69486.2 51
+//
diff --git a/Eawag/MSBNK-MLU-ED015509.txt b/Eawag/MSBNK-MLU-ED015509.txt
new file mode 100644
index 0000000000..8f27216062
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED015509.txt
@@ -0,0 +1,308 @@
+ACCESSION: MSBNK-MLU-ED015509
+RECORD_TITLE: Balticidin C; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M+H]+
+DATE: 2024.04.30
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], T.-H. Bui [dtc], S. Mundt [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 155
+CH$NAME: Balticidin C
+CH$NAME: (2R,3S,4R,5S,6S)-6-[(2S,3S,4R,5R)-2-[1-[[1-[[1-[[1-[[1-[[(Z)-1-[[(2S)-5-amino-1-[[2-[[1-[[(1R)-4-amino-1-carboxy-4-oxobutyl]amino]-1-oxo-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutan-2-yl]-methylamino]-2-oxoethyl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxobut-2-en-2-yl]amino]-3-hydroxy-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-2-hydroxy-1-oxohexadecan-3-yl]oxy-3,5-dihydroxyoxan-4-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C75H121N11O36
+CH$EXACT_MASS: 1751.797569
+CH$SMILES: O=C(NC(C(O)C)C(NC(C(C)O)C(NC(C(C)O)C(NC(C(N/C(C(N[C@H](C(NCC(N(C(C(N[C@H](CCC(N)=O)C(O)=O)=O)C(C)O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](CO)O1)C)=O)=O)CCC(N)=O)=O)=C\C)=O)C(O)C2=CC=C(O)C=C2)=O)=O)=O)C(O)C(O[C@H]3[C@@H](O)[C@H](O[C@H]4O[C@@H](C(O)=O)[C@@H](O)[C@@H](O)[C@@H]4O)[C@H](O)CO3)CCCCCCCCCCCCC
+CH$IUPAC: InChI=1S/C75H121N11O36/c1-8-10-11-12-13-14-15-16-17-18-19-20-42(119-73-60(104)61(41(92)31-117-73)121-75-59(103)56(100)57(101)62(122-75)72(115)116)54(98)70(112)84-49(34(5)90)66(108)82-47(32(3)88)65(107)83-48(33(4)89)67(109)85-50(52(96)36-21-23-37(91)24-22-36)68(110)79-38(9-2)64(106)80-39(25-27-44(76)93)63(105)78-29-46(95)86(7)51(69(111)81-40(71(113)114)26-28-45(77)94)35(6)118-74-58(102)55(99)53(97)43(30-87)120-74/h9,21-24,32-35,39-43,47-62,73-75,87-92,96-104H,8,10-20,25-31H2,1-7H3,(H2,76,93)(H2,77,94)(H,78,105)(H,79,110)(H,80,106)(H,81,111)(H,82,108)(H,83,107)(H,84,112)(H,85,109)(H,113,114)(H,115,116)/b38-9-/t32?,33?,34?,35?,39-,40+,41+,42?,43-,47?,48?,49?,50?,51?,52?,53-,54?,55+,56+,57-,58+,59-,60-,61+,62+,73-,74-,75-/m0/s1
+CH$LINK: PUBCHEM CID:146683689
+CH$LINK: INCHIKEY CXWFWZQJPYLHFZ-GGBPWVLZSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 120-1805
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.335 min
+MS$FOCUSED_ION: BASE_PEAK 885.42
+MS$FOCUSED_ION: PRECURSOR_M/Z 1752.8048
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 18852882.36
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-02ai-0920000000-e3ed2b89bc160bcf15e3
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  122.0601 C7H8NO+ 1 122.06 0.72
+  123.1168 C9H15+ 1 123.1168 -0.39
+  124.0389 C6H6NO2+ 1 124.0393 -3.03
+  125.071 C6H9N2O+ 1 125.0709 0.09
+  126.0549 C6H8NO2+ 1 126.055 -0.5
+  127.0504 C5H7N2O2+ 1 127.0502 1.64
+  127.0862 C6H11N2O+ 1 127.0866 -3.1
+  129.0658 C5H9N2O2+ 1 129.0659 -0.6
+  129.1019 C6H13N2O+ 1 129.1022 -2.91
+  130.0499 C5H8NO3+ 1 130.0499 -0.14
+  130.0863 C6H12NO2+ 1 130.0863 0.03
+  131.0815 C5H11N2O2+ 1 131.0815 0.12
+  132.0444 C8H6NO+ 1 132.0444 -0.27
+  133.0518 C8H7NO+ 1 133.0522 -2.98
+  133.0644 C9H9O+ 1 133.0648 -2.88
+  133.1013 C10H13+ 1 133.1012 0.61
+  134.06 C8H8NO+ 1 134.06 -0.32
+  135.1163 C10H15+ 1 135.1168 -3.66
+  136.0757 C8H10NO+ 1 136.0757 -0.17
+  137.0705 C7H9N2O+ 1 137.0709 -3.27
+  137.1321 C10H17+ 1 137.1325 -2.81
+  138.0548 C7H8NO2+ 1 138.055 -1.31
+  139.0865 C7H11N2O+ 1 139.0866 -0.69
+  140.0701 C7H10NO2+ 1 140.0706 -3.38
+  140.0813 C6H10N3O+ 1 140.0818 -3.62
+  141.0658 C6H9N2O2+ 1 141.0659 -0.2
+  142.0499 C6H8NO3+ 1 142.0499 0.26
+  144.0554 C8H6N3+ 1 144.0556 -1.72
+  144.0651 C6H10NO3+ 1 144.0655 -2.84
+  145.0643 C10H9O+ 1 145.0648 -3.4
+  145.0972 C6H13N2O2+ 1 145.0972 0.29
+  146.06 C9H8NO+ 1 146.06 -0.34
+  147.076 C5H11N2O3+ 1 147.0764 -2.99
+  149.0705 C8H9N2O+ 1 149.0709 -3.07
+  150.0546 C8H8NO2+ 1 150.055 -2.08
+  151.0498 C7H7N2O2+ 1 151.0502 -2.83
+  151.0861 C8H11N2O+ 1 151.0866 -3.39
+  151.148 C11H19+ 1 151.1481 -0.76
+  152.0822 C7H10N3O+ 1 152.0818 2.69
+  153.0655 C7H9N2O2+ 1 153.0659 -2.05
+  155.0814 C7H11N2O2+ 1 155.0815 -0.88
+  156.065 C7H10NO3+ 1 156.0655 -3.15
+  157.0971 C7H13N2O2+ 1 157.0972 -0.5
+  158.0921 C6H12N3O2+ 1 158.0924 -1.9
+  160.0398 C9H6NO2+ 1 160.0393 2.9
+  160.0616 C7H6N5+ 1 160.0618 -1.34
+  160.0753 C10H10NO+ 1 160.0757 -2.69
+  161.071 C9H9N2O+ 1 161.0709 0.4
+  162.0548 C9H8NO2+ 1 162.055 -0.96
+  163.0867 C9H11N2O+ 1 163.0866 0.82
+  164.0817 C8H10N3O+ 1 164.0818 -0.91
+  165.0658 C8H9N2O2+ 1 165.0659 -0.48
+  167.0814 C8H11N2O2+ 1 167.0815 -0.6
+  168.077 C7H10N3O2+ 1 168.0768 1.44
+  169.0605 C7H9N2O3+ 1 169.0608 -1.85
+  170.0447 C7H8NO4+ 1 170.0448 -0.79
+  172.075 C9H8N4+ 2 172.0743 3.99
+  173.0922 C7H13N2O3+ 1 173.0921 0.87
+  174.054 C8H6N4O+ 1 174.0536 2.31
+  174.0913 C11H12NO+ 1 174.0913 -0.02
+  175.1073 C7H15N2O3+ 1 175.1077 -2.21
+  177.0655 C9H9N2O2+ 1 177.0659 -2.17
+  177.1017 C10H13N2O+ 2 177.1022 -3.08
+  178.0969 C9H12N3O+ 2 178.0975 -3.1
+  179.0815 C9H11N2O2+ 1 179.0815 0.05
+  180.0769 C8H10N3O2+ 1 180.0768 0.78
+  181.0605 C8H9N2O3+ 1 181.0608 -1.69
+  181.0835 C6H9N6O+ 1 181.0832 1.4
+  184.1077 C8H14N3O2+ 1 184.1081 -2.01
+  185.0918 C8H13N2O3+ 1 185.0921 -1.61
+  186.088 C7H12N3O3+ 2 186.0873 3.93
+  188.0697 C11H10NO2+ 2 188.0706 -4.58
+  189.0656 C10H9N2O2+ 1 189.0659 -1.45
+  189.1018 C11H13N2O+ 2 189.1022 -2.54
+  190.0612 C9H8N3O2+ 1 190.0611 0.76
+  191.0818 C10H11N2O2+ 1 191.0815 1.41
+  192.0767 C9H10N3O2+ 1 192.0768 -0.31
+  193.0607 C9H9N2O3+ 1 193.0608 -0.33
+  193.0968 C10H13N2O2+ 1 193.0972 -1.72
+  194.0924 C9H12N3O2+ 1 194.0924 -0.02
+  195.0764 C9H11N2O3+ 1 195.0764 0.03
+  196.1076 C9H14N3O2+ 2 196.1081 -2.46
+  197.0915 C9H13N2O3+ 2 197.0921 -3.01
+  199.0865 C12H11N2O+ 1 199.0866 -0.58
+  200.0706 C12H10NO2+ 1 200.0706 0.01
+  202.05 C11H8NO3+ 1 202.0499 0.78
+  202.087 C12H12NO2+ 1 202.0863 3.61
+  205.0965 C11H13N2O2+ 2 205.0972 -2.98
+  206.0921 C10H12N3O2+ 2 206.0924 -1.67
+  207.0763 C10H11N2O3+ 1 207.0764 -0.72
+  207.2107 C15H27+ 3 207.2107 -0.36
+  210.0873 C9H12N3O3+ 1 210.0873 -0.2
+  212.103 C9H14N3O3+ 1 212.103 0.14
+  217.0971 C12H13N2O2+ 1 217.0972 -0.25
+  218.0805 C12H12NO3+ 2 218.0812 -2.86
+  219.0764 C11H11N2O3+ 1 219.0764 -0.31
+  220.1081 C11H14N3O2+ 1 220.1081 0.38
+  221.0549 C8H7N5O3+ 2 221.0543 2.6
+  222.0873 C10H12N3O3+ 1 222.0873 -0.23
+  224.1032 C10H14N3O3+ 2 224.103 1.03
+  225.0866 C10H13N2O4+ 2 225.087 -1.91
+  225.2209 C15H29O+ 4 225.2213 -1.64
+  227.0809 C13H11N2O2+ 3 227.0815 -2.67
+  227.1022 C10H15N2O4+ 2 227.1026 -2.11
+  228.0652 C13H10NO3+ 2 228.0655 -1.27
+  235.0707 C11H11N2O4+ 2 235.0713 -2.73
+  235.2053 C16H27O+ 5 235.2056 -1.62
+  238.0822 C10H12N3O4+ 1 238.0822 -0.06
+  238.1186 C11H16N3O3+ 1 238.1186 -0.28
+  240.0976 C10H14N3O4+ 2 240.0979 -1.29
+  240.1349 C11H18N3O3+ 2 240.1343 2.75
+  242.1125 C10H16N3O4+ 2 242.1135 -4.26
+  244.1074 C11H12N6O+ 3 244.1067 2.67
+  244.1292 C10H18N3O4+ 1 244.1292 -0.06
+  245.0918 C13H13N2O3+ 3 245.0921 -1.09
+  246.076 C13H12NO4+ 1 246.0761 -0.3
+  250.0814 C11H12N3O4+ 2 250.0822 -3.31
+  250.1191 C12H16N3O3+ 2 250.1186 2.03
+  252.0974 C11H14N3O4+ 2 252.0979 -2.09
+  252.232 C16H30NO+ 5 252.2322 -0.58
+  253.098 C2H21O13+ 5 253.0977 1.25
+  253.2163 C16H29O2+ 4 253.2162 0.31
+  256.1078 C12H12N6O+ 4 256.1067 4.08
+  257.0923 C14H13N2O3+ 3 257.0921 0.96
+  266.1145 C12H16N3O4+ 4 266.1135 3.72
+  271.1088 C15H15N2O3+ 5 271.1077 4.09
+  280.2633 C18H34NO+ 5 280.2635 -0.58
+  290.248 C19H32NO+ 4 290.2478 0.44
+  298.273 C18H36NO2+ 5 298.2741 -3.62
+  308.2579 C4H40N2O12+ 5 308.2576 1.11
+  310.1173 C17H16N3O3+ 8 310.1186 -4.36
+  318.2439 C7H30N10O4+ 4 318.2446 -2.2
+  336.2536 C6H36N6O9+ 7 336.2538 -0.62
+PK$NUM_PEAK: 133
+PK$PEAK: m/z int. rel.int.
+  122.0601 72103.5 64
+  123.1168 47963.5 42
+  124.0389 46619.9 41
+  125.071 78252.2 69
+  126.0549 61259.7 54
+  127.0504 69623.6 62
+  127.0862 41073.4 36
+  129.0658 119383.7 106
+  129.1019 17586.3 15
+  130.0499 76213.9 68
+  130.0863 162385.8 144
+  131.0815 16213.5 14
+  132.0444 21763.8 19
+  133.0518 20466 18
+  133.0644 53953.3 48
+  133.1013 19905.7 17
+  134.06 1118951.1 999
+  135.1163 13907 12
+  136.0757 53004.5 47
+  137.0705 23059.8 20
+  137.1321 28325.6 25
+  138.0548 14325.4 12
+  139.0865 390079.8 348
+  140.0701 56862.6 50
+  140.0813 95519.3 85
+  141.0658 181145.7 161
+  142.0499 375160.2 334
+  144.0554 11311.9 10
+  144.0651 41629.8 37
+  145.0643 38073.1 33
+  145.0972 64409.2 57
+  146.06 14625.3 13
+  147.076 35567.9 31
+  149.0705 40181.5 35
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+  310.1173 20286.4 18
+  318.2439 16088 14
+  336.2536 55802.6 49
+//
diff --git a/Eawag/MSBNK-MLU-ED019001.txt b/Eawag/MSBNK-MLU-ED019001.txt
new file mode 100644
index 0000000000..47c1883761
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED019001.txt
@@ -0,0 +1,54 @@
+ACCESSION: MSBNK-MLU-ED019001
+RECORD_TITLE: Scytocyclamide B; LC-ESI-QFT; MS2; CE: 15%; R=17500; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Enke [dtc], H. Enke [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 190
+CH$NAME: Scytocyclamide B
+CH$NAME: 3-[(3S,6R,9R,12S,15R,18R,21R,24S,31S,34R,37S)-6-(2-amino-1-hydroxy-2-oxoethyl)-9-[(2R)-butan-2-yl]-31-[(1R)-1-hydroxyethyl]-3-[(1S)-1-hydroxyethyl]-15,21-bis(1-hydroxy-2-methylpropyl)-10,18-dimethyl-34-(2-methylpropyl)-2,5,8,11,14,17,20,23,26,30,33,36-dodecaoxo-28-pentyl-24-propan-2-yl-1,4,7,10,13,16,19,22,25,29,32,35-dodecazabicyclo[35.3.0]tetracontan-12-yl]propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C63H110N14O19
+CH$EXACT_MASS: 1366.807167
+CH$SMILES: O=C(N[C@H](C(N[C@@H](C(N[C@@H](C(N[C@@H](C(N[C@H](C(N([C@@H](C(N[C@@H](C(N[C@H](C(N1CCC[C@H]1C(N[C@@H]2CC(C)C)=O)=O)[C@@H](O)C)=O)C(C(N)=O)O)=O)[C@@H](CC)C)C)=O)CCC(N)=O)=O)C(C(C)C)O)=O)C)=O)C(C(C)C)O)=O)C(C)C)CC(CCCCC)NC([C@@H](NC2=O)[C@H](O)C)=O
+CH$IUPAC: InChI=1S/C63H110N14O19/c1-16-18-19-21-36-27-41(81)70-42(29(5)6)56(89)74-45(49(82)30(7)8)58(91)66-33(12)53(86)73-46(50(83)31(9)10)59(92)68-37(23-24-40(64)80)62(95)76(15)48(32(11)17-2)61(94)75-47(51(84)52(65)85)60(93)72-44(35(14)79)63(96)77-25-20-22-39(77)55(88)69-38(26-28(3)4)54(87)71-43(34(13)78)57(90)67-36/h28-39,42-51,78-79,82-84H,16-27H2,1-15H3,(H2,64,80)(H2,65,85)(H,66,91)(H,67,90)(H,68,92)(H,69,88)(H,70,81)(H,71,87)(H,72,93)(H,73,86)(H,74,89)(H,75,94)/t32-,33-,34-,35+,36?,37+,38-,39+,42+,43+,44+,45-,46-,47-,48-,49?,50?,51?/m1/s1
+CH$LINK: PUBCHEM CID:155802246
+CH$LINK: INCHIKEY OIXICRGCRLGQCN-OBKLPJIUSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 94-1415
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.343 min
+MS$FOCUSED_ION: BASE_PEAK 684.4118
+MS$FOCUSED_ION: PRECURSOR_M/Z 1367.8144
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 10400162.94
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-014i-0009000000-bc3673bab06f5b134105
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  151.9826 C2H2NO7+ 1 151.9826 0.33
+  1331.7943 C63H107N14O17+ 1 1331.7933 0.74
+  1332.7789 C63H106N13O18+ 1 1332.7773 1.19
+  1349.8051 C63H109N14O18+ 1 1349.8039 0.94
+  1350.7865 C63H108N13O19+ 1 1350.7879 -1.06
+  1367.814 C63H111N14O19+ 1 1367.8144 -0.3
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  151.9826 2078650.4 60
+  1331.7943 1167599 34
+  1332.7789 479466.5 14
+  1349.8051 5575555 163
+  1350.7865 1097319.1 32
+  1367.814 34108104 999
+//
diff --git a/Eawag/MSBNK-MLU-ED019002.txt b/Eawag/MSBNK-MLU-ED019002.txt
new file mode 100644
index 0000000000..e444e034a2
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED019002.txt
@@ -0,0 +1,66 @@
+ACCESSION: MSBNK-MLU-ED019002
+RECORD_TITLE: Scytocyclamide B; LC-ESI-QFT; MS2; CE: 20%; R=17500; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Enke [dtc], H. Enke [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 190
+CH$NAME: Scytocyclamide B
+CH$NAME: 3-[(3S,6R,9R,12S,15R,18R,21R,24S,31S,34R,37S)-6-(2-amino-1-hydroxy-2-oxoethyl)-9-[(2R)-butan-2-yl]-31-[(1R)-1-hydroxyethyl]-3-[(1S)-1-hydroxyethyl]-15,21-bis(1-hydroxy-2-methylpropyl)-10,18-dimethyl-34-(2-methylpropyl)-2,5,8,11,14,17,20,23,26,30,33,36-dodecaoxo-28-pentyl-24-propan-2-yl-1,4,7,10,13,16,19,22,25,29,32,35-dodecazabicyclo[35.3.0]tetracontan-12-yl]propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C63H110N14O19
+CH$EXACT_MASS: 1366.807167
+CH$SMILES: O=C(N[C@H](C(N[C@@H](C(N[C@@H](C(N[C@@H](C(N[C@H](C(N([C@@H](C(N[C@@H](C(N[C@H](C(N1CCC[C@H]1C(N[C@@H]2CC(C)C)=O)=O)[C@@H](O)C)=O)C(C(N)=O)O)=O)[C@@H](CC)C)C)=O)CCC(N)=O)=O)C(C(C)C)O)=O)C)=O)C(C(C)C)O)=O)C(C)C)CC(CCCCC)NC([C@@H](NC2=O)[C@H](O)C)=O
+CH$IUPAC: InChI=1S/C63H110N14O19/c1-16-18-19-21-36-27-41(81)70-42(29(5)6)56(89)74-45(49(82)30(7)8)58(91)66-33(12)53(86)73-46(50(83)31(9)10)59(92)68-37(23-24-40(64)80)62(95)76(15)48(32(11)17-2)61(94)75-47(51(84)52(65)85)60(93)72-44(35(14)79)63(96)77-25-20-22-39(77)55(88)69-38(26-28(3)4)54(87)71-43(34(13)78)57(90)67-36/h28-39,42-51,78-79,82-84H,16-27H2,1-15H3,(H2,64,80)(H2,65,85)(H,66,91)(H,67,90)(H,68,92)(H,69,88)(H,70,81)(H,71,87)(H,72,93)(H,73,86)(H,74,89)(H,75,94)/t32-,33-,34-,35+,36?,37+,38-,39+,42+,43+,44+,45-,46-,47-,48-,49?,50?,51?/m1/s1
+CH$LINK: PUBCHEM CID:155802246
+CH$LINK: INCHIKEY OIXICRGCRLGQCN-OBKLPJIUSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 94-1415
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.343 min
+MS$FOCUSED_ION: BASE_PEAK 684.4118
+MS$FOCUSED_ION: PRECURSOR_M/Z 1367.8144
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 10400162.94
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-014i-0009000000-e59dc2caff6312c0a55e
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  151.9826 C2H2NO7+ 1 151.9826 -0.07
+  568.3335 C24H48N4O11+ 18 568.3314 3.65
+  585.3609 C13H51N11O14+ 17 585.3611 -0.43
+  1313.7828 C63H105N14O16+ 2 1313.7827 0.07
+  1314.7643 C63H104N13O17+ 1 1314.7668 -1.89
+  1323.8039 C62H109N13O18+ 1 1323.8008 2.37
+  1331.7932 C63H107N14O17+ 1 1331.7933 -0.09
+  1332.7766 C63H106N13O18+ 1 1332.7773 -0.55
+  1339.8219 C62H111N14O18+ 1 1339.8195 1.75
+  1349.8043 C63H109N14O18+ 1 1349.8039 0.3
+  1350.7851 C63H108N13O19+ 1 1350.7879 -2.05
+  1367.8142 C63H111N14O19+ 1 1367.8144 -0.21
+PK$NUM_PEAK: 12
+PK$PEAK: m/z int. rel.int.
+  151.9826 797740.2 60
+  568.3335 137317.4 10
+  585.3609 986145.9 74
+  1313.7828 257368.1 19
+  1314.7643 441902.2 33
+  1323.8039 414079.8 31
+  1331.7932 1309579.4 98
+  1332.7766 813682.3 61
+  1339.8219 535939.4 40
+  1349.8043 5680807 429
+  1350.7851 1019977.8 77
+  1367.8142 13219641 999
+//
diff --git a/Eawag/MSBNK-MLU-ED019003.txt b/Eawag/MSBNK-MLU-ED019003.txt
new file mode 100644
index 0000000000..a48f48f03f
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED019003.txt
@@ -0,0 +1,128 @@
+ACCESSION: MSBNK-MLU-ED019003
+RECORD_TITLE: Scytocyclamide B; LC-ESI-QFT; MS2; CE: 25%; R=17500; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Enke [dtc], H. Enke [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 190
+CH$NAME: Scytocyclamide B
+CH$NAME: 3-[(3S,6R,9R,12S,15R,18R,21R,24S,31S,34R,37S)-6-(2-amino-1-hydroxy-2-oxoethyl)-9-[(2R)-butan-2-yl]-31-[(1R)-1-hydroxyethyl]-3-[(1S)-1-hydroxyethyl]-15,21-bis(1-hydroxy-2-methylpropyl)-10,18-dimethyl-34-(2-methylpropyl)-2,5,8,11,14,17,20,23,26,30,33,36-dodecaoxo-28-pentyl-24-propan-2-yl-1,4,7,10,13,16,19,22,25,29,32,35-dodecazabicyclo[35.3.0]tetracontan-12-yl]propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C63H110N14O19
+CH$EXACT_MASS: 1366.807167
+CH$SMILES: O=C(N[C@H](C(N[C@@H](C(N[C@@H](C(N[C@@H](C(N[C@H](C(N([C@@H](C(N[C@@H](C(N[C@H](C(N1CCC[C@H]1C(N[C@@H]2CC(C)C)=O)=O)[C@@H](O)C)=O)C(C(N)=O)O)=O)[C@@H](CC)C)C)=O)CCC(N)=O)=O)C(C(C)C)O)=O)C)=O)C(C(C)C)O)=O)C(C)C)CC(CCCCC)NC([C@@H](NC2=O)[C@H](O)C)=O
+CH$IUPAC: InChI=1S/C63H110N14O19/c1-16-18-19-21-36-27-41(81)70-42(29(5)6)56(89)74-45(49(82)30(7)8)58(91)66-33(12)53(86)73-46(50(83)31(9)10)59(92)68-37(23-24-40(64)80)62(95)76(15)48(32(11)17-2)61(94)75-47(51(84)52(65)85)60(93)72-44(35(14)79)63(96)77-25-20-22-39(77)55(88)69-38(26-28(3)4)54(87)71-43(34(13)78)57(90)67-36/h28-39,42-51,78-79,82-84H,16-27H2,1-15H3,(H2,64,80)(H2,65,85)(H,66,91)(H,67,90)(H,68,92)(H,69,88)(H,70,81)(H,71,87)(H,72,93)(H,73,86)(H,74,89)(H,75,94)/t32-,33-,34-,35+,36?,37+,38-,39+,42+,43+,44+,45-,46-,47-,48-,49?,50?,51?/m1/s1
+CH$LINK: PUBCHEM CID:155802246
+CH$LINK: INCHIKEY OIXICRGCRLGQCN-OBKLPJIUSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 94-1415
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.343 min
+MS$FOCUSED_ION: BASE_PEAK 684.4118
+MS$FOCUSED_ION: PRECURSOR_M/Z 1367.8144
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 10400162.94
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0lds-2239030000-28b34ca59658b43c460e
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  100.1119 C6H14N+ 1 100.1121 -1.46
+  101.0708 C4H9N2O+ 1 101.0709 -1.52
+  102.0908 C5H12NO+ 1 102.0913 -4.86
+  126.0914 C7H12NO+ 1 126.0913 0.79
+  128.1069 C7H14NO+ 1 128.107 -0.37
+  151.9827 C2H2NO7+ 1 151.9826 0.93
+  156.1018 C8H14NO2+ 1 156.1019 -0.67
+  173.1285 C8H17N2O2+ 1 173.1285 0.1
+  183.1134 C9H15N2O2+ 1 183.1128 3.31
+  195.1492 C11H19N2O+ 1 195.1492 -0.14
+  201.1235 C9H17N2O3+ 1 201.1234 0.88
+  211.1443 C11H19N2O2+ 1 211.1441 0.72
+  224.201 C14H26NO+ 2 224.2009 0.65
+  228.1706 C11H22N3O2+ 1 228.1707 -0.32
+  238.1555 C12H20N3O2+ 2 238.155 2.26
+  239.1391 C12H19N2O3+ 1 239.139 0.19
+  240.134 C11H18N3O3+ 2 240.1343 -1.17
+  243.1708 C12H23N2O3+ 1 243.1703 2.18
+  252.1957 C15H26NO2+ 5 252.1958 -0.4
+  256.1657 C12H22N3O3+ 2 256.1656 0.53
+  257.1854 C13H25N2O3+ 3 257.186 -2.13
+  258.1448 C11H20N3O4+ 2 258.1448 -0.22
+  294.1812 C15H24N3O3+ 6 294.1812 -0.18
+  310.2122 C16H28N3O3+ 6 310.2125 -0.92
+  311.1715 C14H23N4O4+ 7 311.1714 0.46
+  328.2226 CH36N4O14+ 6 328.2223 1.01
+  329.1815 C13H19N11+ 6 329.1819 -1.22
+  352.2591 C19H34N3O3+ 7 352.2595 -0.92
+  441.3059 C21H45O9+ 12 441.3058 0.15
+  453.3105 C26H39N5O2+ 12 453.3098 1.45
+  552.3763 C15H58N3O17+ 18 552.3761 0.34
+  568.3332 C24H48N4O11+ 19 568.3314 3.11
+  585.361 C13H51N11O14+ 19 585.3611 -0.22
+  811.4923 C38H67N8O11+ 26 811.4924 -0.16
+  1009.63 C63H79N9O3+ 23 1009.63 -0.07
+  1118.7174 C55H96N11O13+ 16 1118.7184 -0.82
+  1314.7682 C63H104N13O17+ 1 1314.7668 1.08
+  1331.7937 C63H107N14O17+ 1 1331.7933 0.28
+  1332.7768 C63H106N13O18+ 1 1332.7773 -0.37
+  1339.8203 C62H111N14O18+ 1 1339.8195 0.57
+  1349.8048 C63H109N14O18+ 1 1349.8039 0.66
+  1350.7856 C63H108N13O19+ 1 1350.7879 -1.69
+  1367.8146 C63H111N14O19+ 1 1367.8144 0.15
+PK$NUM_PEAK: 43
+PK$PEAK: m/z int. rel.int.
+  100.1119 580632.5 445
+  101.0708 86983.1 66
+  102.0908 56309.7 43
+  126.0914 33754.8 25
+  128.1069 53848.7 41
+  151.9827 75897.1 58
+  156.1018 159539.5 122
+  173.1285 23711 18
+  183.1134 43855.9 33
+  195.1492 22669.8 17
+  201.1235 99971 76
+  211.1443 151068.9 115
+  224.201 17748.2 13
+  228.1706 31646.2 24
+  238.1555 34761.4 26
+  239.1391 495757.8 380
+  240.134 55353.2 42
+  243.1708 73557.4 56
+  252.1957 225728.6 173
+  256.1657 230601.3 176
+  257.1854 51389.2 39
+  258.1448 214209 164
+  294.1812 85963.9 65
+  310.2122 32938.2 25
+  311.1715 142067.4 109
+  328.2226 63242.7 48
+  329.1815 97915.1 75
+  352.2591 32600.8 25
+  441.3059 31823.4 24
+  453.3105 181600.1 139
+  552.3763 770957.3 591
+  568.3332 153858.3 118
+  585.361 902133.2 692
+  811.4923 182095.9 139
+  1009.63 1066617.9 818
+  1118.7174 283074.8 217
+  1314.7682 203927.5 156
+  1331.7937 445601.1 341
+  1332.7768 329432.2 252
+  1339.8203 216334.4 165
+  1349.8048 1244643.9 954
+  1350.7856 201941.8 154
+  1367.8146 1302017.4 999
+//
diff --git a/Eawag/MSBNK-MLU-ED019004.txt b/Eawag/MSBNK-MLU-ED019004.txt
new file mode 100644
index 0000000000..e39b8f9911
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED019004.txt
@@ -0,0 +1,182 @@
+ACCESSION: MSBNK-MLU-ED019004
+RECORD_TITLE: Scytocyclamide B; LC-ESI-QFT; MS2; CE: 30%; R=17500; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Enke [dtc], H. Enke [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 190
+CH$NAME: Scytocyclamide B
+CH$NAME: 3-[(3S,6R,9R,12S,15R,18R,21R,24S,31S,34R,37S)-6-(2-amino-1-hydroxy-2-oxoethyl)-9-[(2R)-butan-2-yl]-31-[(1R)-1-hydroxyethyl]-3-[(1S)-1-hydroxyethyl]-15,21-bis(1-hydroxy-2-methylpropyl)-10,18-dimethyl-34-(2-methylpropyl)-2,5,8,11,14,17,20,23,26,30,33,36-dodecaoxo-28-pentyl-24-propan-2-yl-1,4,7,10,13,16,19,22,25,29,32,35-dodecazabicyclo[35.3.0]tetracontan-12-yl]propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C63H110N14O19
+CH$EXACT_MASS: 1366.807167
+CH$SMILES: O=C(N[C@H](C(N[C@@H](C(N[C@@H](C(N[C@@H](C(N[C@H](C(N([C@@H](C(N[C@@H](C(N[C@H](C(N1CCC[C@H]1C(N[C@@H]2CC(C)C)=O)=O)[C@@H](O)C)=O)C(C(N)=O)O)=O)[C@@H](CC)C)C)=O)CCC(N)=O)=O)C(C(C)C)O)=O)C)=O)C(C(C)C)O)=O)C(C)C)CC(CCCCC)NC([C@@H](NC2=O)[C@H](O)C)=O
+CH$IUPAC: InChI=1S/C63H110N14O19/c1-16-18-19-21-36-27-41(81)70-42(29(5)6)56(89)74-45(49(82)30(7)8)58(91)66-33(12)53(86)73-46(50(83)31(9)10)59(92)68-37(23-24-40(64)80)62(95)76(15)48(32(11)17-2)61(94)75-47(51(84)52(65)85)60(93)72-44(35(14)79)63(96)77-25-20-22-39(77)55(88)69-38(26-28(3)4)54(87)71-43(34(13)78)57(90)67-36/h28-39,42-51,78-79,82-84H,16-27H2,1-15H3,(H2,64,80)(H2,65,85)(H,66,91)(H,67,90)(H,68,92)(H,69,88)(H,70,81)(H,71,87)(H,72,93)(H,73,86)(H,74,89)(H,75,94)/t32-,33-,34-,35+,36?,37+,38-,39+,42+,43+,44+,45-,46-,47-,48-,49?,50?,51?/m1/s1
+CH$LINK: PUBCHEM CID:155802246
+CH$LINK: INCHIKEY OIXICRGCRLGQCN-OBKLPJIUSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 94-1415
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.343 min
+MS$FOCUSED_ION: BASE_PEAK 684.4118
+MS$FOCUSED_ION: PRECURSOR_M/Z 1367.8144
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 10400162.94
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0udi-0692010000-aa29037a0be1a604c729
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  100.1121 C6H14N+ 1 100.1121 -0.16
+  101.0709 C4H9N2O+ 1 101.0709 -0.62
+  102.0912 C5H12NO+ 1 102.0913 -1.12
+  112.0756 C6H10NO+ 1 112.0757 -0.83
+  115.0865 C5H11N2O+ 1 115.0866 -1.1
+  119.0815 C4H11N2O2+ 1 119.0815 -0.11
+  126.0914 C7H12NO+ 1 126.0913 0.37
+  128.1071 C7H14NO+ 1 128.107 0.94
+  129.0657 C5H9N2O2+ 1 129.0659 -1.39
+  143.0811 C6H11N2O2+ 1 143.0815 -2.81
+  147.0765 C5H11N2O3+ 1 147.0764 0.8
+  147.1128 C6H15N2O2+ 1 147.1128 0.22
+  155.1177 C8H15N2O+ 1 155.1179 -1.14
+  156.1019 C8H14NO2+ 1 156.1019 -0.08
+  156.1379 C9H18NO+ 1 156.1383 -2.19
+  173.1284 C8H17N2O2+ 1 173.1285 -0.52
+  183.1132 C9H15N2O2+ 1 183.1128 1.97
+  183.1491 C10H19N2O+ 1 183.1492 -0.57
+  185.128 C9H17N2O2+ 2 185.1285 -2.44
+  186.0874 C7H12N3O3+ 1 186.0873 0.2
+  187.144 C9H19N2O2+ 1 187.1441 -0.81
+  195.1492 C11H19N2O+ 1 195.1492 0.25
+  199.1079 C9H15N2O3+ 1 199.1077 0.83
+  200.1396 C9H18N3O2+ 1 200.1394 1.21
+  201.1235 C9H17N2O3+ 1 201.1234 0.88
+  201.1596 C10H21N2O2+ 1 201.1598 -0.6
+  210.1601 C11H20N3O+ 1 210.1601 0.01
+  211.1441 C11H19N2O2+ 1 211.1441 0.14
+  212.1752 C11H22N3O+ 2 212.1757 -2.59
+  213.1961 C12H25N2O+ 1 213.1961 -0.27
+  221.1284 C12H17N2O2+ 1 221.1285 -0.41
+  222.1485 C13H20NO2+ 2 222.1489 -1.49
+  223.1078 C11H15N2O3+ 1 223.1077 0.44
+  224.1646 C13H22NO2+ 1 224.1645 0.62
+  224.2005 C14H26NO+ 3 224.2009 -1.59
+  225.1594 C12H21N2O2+ 2 225.1598 -1.44
+  228.1708 C11H22N3O2+ 1 228.1707 0.48
+  229.1547 C11H21N2O3+ 1 229.1547 -0.07
+  229.1903 C10H23N5O+ 2 229.1897 2.62
+  230.1503 C10H20N3O3+ 2 230.1499 1.83
+  238.1551 C12H20N3O2+ 1 238.155 0.59
+  239.1392 C12H19N2O3+ 1 239.139 0.64
+  240.1348 C11H18N3O3+ 2 240.1343 2.39
+  241.1188 C11H17N2O4+ 2 241.1183 2.05
+  241.1912 C13H25N2O2+ 2 241.1911 0.46
+  243.1702 C12H23N2O3+ 1 243.1703 -0.4
+  252.1958 C15H26NO2+ 4 252.1958 -0.1
+  253.1548 C13H21N2O3+ 2 253.1547 0.52
+  256.1656 C12H22N3O3+ 1 256.1656 0.06
+  258.145 C11H20N3O4+ 3 258.1448 0.49
+  268.1291 C12H18N3O4+ 2 268.1292 -0.45
+  268.1659 C13H22N3O3+ 3 268.1656 1.23
+  269.2225 H35N3O12+ 5 269.2215 3.66
+  271.1648 C13H23N2O4+ 3 271.1652 -1.68
+  283.1763 C13H23N4O3+ 4 283.1765 -0.64
+  294.1812 C15H24N3O3+ 6 294.1812 -0.18
+  300.1911 C14H26N3O4+ 4 300.1918 -2.19
+  311.1712 C14H23N4O4+ 7 311.1714 -0.62
+  312.192 C15H26N3O4+ 7 312.1918 0.61
+  324.1917 C16H26N3O4+ 8 324.1918 -0.19
+  324.2283 C17H30N3O3+ 7 324.2282 0.26
+  328.2225 CH36N4O14+ 7 328.2223 0.63
+  329.1815 C13H19N11+ 6 329.1819 -1.41
+  356.255 C5H42NO15+ 9 356.2549 0.19
+  366.2396 C6H40NO15+ 10 366.2392 1
+  441.306 C21H45O9+ 12 441.3058 0.36
+  453.3096 C26H39N5O2+ 13 453.3098 -0.5
+  552.3761 C15H58N3O17+ 19 552.3761 0.01
+  569.4043 C2H59N13O19+ 18 569.4045 -0.21
+  1009.63 C63H79N9O3+ 23 1009.63 -0.01
+PK$NUM_PEAK: 70
+PK$PEAK: m/z int. rel.int.
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+  1009.63 309479.6 185
+//
diff --git a/Eawag/MSBNK-MLU-ED019005.txt b/Eawag/MSBNK-MLU-ED019005.txt
new file mode 100644
index 0000000000..4ae2e4fba6
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED019005.txt
@@ -0,0 +1,258 @@
+ACCESSION: MSBNK-MLU-ED019005
+RECORD_TITLE: Scytocyclamide B; LC-ESI-QFT; MS2; CE: 40%; R=17500; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Enke [dtc], H. Enke [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 190
+CH$NAME: Scytocyclamide B
+CH$NAME: 3-[(3S,6R,9R,12S,15R,18R,21R,24S,31S,34R,37S)-6-(2-amino-1-hydroxy-2-oxoethyl)-9-[(2R)-butan-2-yl]-31-[(1R)-1-hydroxyethyl]-3-[(1S)-1-hydroxyethyl]-15,21-bis(1-hydroxy-2-methylpropyl)-10,18-dimethyl-34-(2-methylpropyl)-2,5,8,11,14,17,20,23,26,30,33,36-dodecaoxo-28-pentyl-24-propan-2-yl-1,4,7,10,13,16,19,22,25,29,32,35-dodecazabicyclo[35.3.0]tetracontan-12-yl]propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C63H110N14O19
+CH$EXACT_MASS: 1366.807167
+CH$SMILES: O=C(N[C@H](C(N[C@@H](C(N[C@@H](C(N[C@@H](C(N[C@H](C(N([C@@H](C(N[C@@H](C(N[C@H](C(N1CCC[C@H]1C(N[C@@H]2CC(C)C)=O)=O)[C@@H](O)C)=O)C(C(N)=O)O)=O)[C@@H](CC)C)C)=O)CCC(N)=O)=O)C(C(C)C)O)=O)C)=O)C(C(C)C)O)=O)C(C)C)CC(CCCCC)NC([C@@H](NC2=O)[C@H](O)C)=O
+CH$IUPAC: InChI=1S/C63H110N14O19/c1-16-18-19-21-36-27-41(81)70-42(29(5)6)56(89)74-45(49(82)30(7)8)58(91)66-33(12)53(86)73-46(50(83)31(9)10)59(92)68-37(23-24-40(64)80)62(95)76(15)48(32(11)17-2)61(94)75-47(51(84)52(65)85)60(93)72-44(35(14)79)63(96)77-25-20-22-39(77)55(88)69-38(26-28(3)4)54(87)71-43(34(13)78)57(90)67-36/h28-39,42-51,78-79,82-84H,16-27H2,1-15H3,(H2,64,80)(H2,65,85)(H,66,91)(H,67,90)(H,68,92)(H,69,88)(H,70,81)(H,71,87)(H,72,93)(H,73,86)(H,74,89)(H,75,94)/t32-,33-,34-,35+,36?,37+,38-,39+,42+,43+,44+,45-,46-,47-,48-,49?,50?,51?/m1/s1
+CH$LINK: PUBCHEM CID:155802246
+CH$LINK: INCHIKEY OIXICRGCRLGQCN-OBKLPJIUSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 94-1415
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.343 min
+MS$FOCUSED_ION: BASE_PEAK 684.4118
+MS$FOCUSED_ION: PRECURSOR_M/Z 1367.8144
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 10400162.94
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0udi-0971000000-b604ae53ea9beffc4ccb
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
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+  100.1121 C6H14N+ 1 100.1121 0.07
+  101.0709 C4H9N2O+ 1 101.0709 -0.24
+  102.0913 C5H12NO+ 1 102.0913 -0.37
+  112.0757 C6H10NO+ 1 112.0757 -0.08
+  114.0911 C6H12NO+ 1 114.0913 -2.12
+  115.0868 C5H11N2O+ 1 115.0866 1.81
+  119.0814 C4H11N2O2+ 1 119.0815 -0.5
+  124.112 C8H14N+ 1 124.1121 -0.86
+  125.0961 C8H13O+ 1 125.0961 0.44
+  126.0914 C7H12NO+ 1 126.0913 0.43
+  128.107 C7H14NO+ 1 128.107 0.11
+  129.0659 C5H9N2O2+ 1 129.0659 0.38
+  129.1025 C6H13N2O+ 1 129.1022 2.33
+  138.0912 C8H12NO+ 1 138.0913 -1.38
+  140.0704 C7H10NO2+ 1 140.0706 -1.38
+  140.1431 C9H18N+ 1 140.1434 -1.94
+  142.0863 C7H12NO2+ 1 142.0863 0.58
+  142.1227 C8H16NO+ 1 142.1226 0.19
+  143.0815 C6H11N2O2+ 1 143.0815 -0.25
+  147.0763 C5H11N2O3+ 1 147.0764 -0.75
+  147.1128 C6H15N2O2+ 1 147.1128 -0.29
+  152.1071 C9H14NO+ 1 152.107 0.78
+  153.1024 C8H13N2O+ 1 153.1022 0.84
+  154.1221 C9H16NO+ 1 154.1226 -3.29
+  155.0818 C7H11N2O2+ 1 155.0815 2.06
+  155.1176 C8H15N2O+ 1 155.1179 -1.93
+  156.1019 C8H14NO2+ 1 156.1019 0.01
+  156.1381 C9H18NO+ 1 156.1383 -1.41
+  159.0764 C6H11N2O3+ 1 159.0764 0.03
+  160.1334 C8H18NO2+ 1 160.1332 1.34
+  169.0607 C7H9N2O3+ 1 169.0608 -0.46
+  169.1339 C9H17N2O+ 1 169.1335 2.15
+  171.1129 C8H15N2O2+ 1 171.1128 0.83
+  173.1285 C8H17N2O2+ 1 173.1285 0.36
+  181.0971 C9H13N2O2+ 1 181.0972 -0.09
+  181.133 C10H17N2O+ 2 181.1335 -2.91
+  183.1134 C9H15N2O2+ 1 183.1128 3.06
+  183.1492 C10H19N2O+ 1 183.1492 0.09
+  185.1289 C9H17N2O2+ 1 185.1285 2.5
+  186.0873 C7H12N3O3+ 1 186.0873 0.04
+  187.1441 C9H19N2O2+ 1 187.1441 -0.16
+  193.1337 C11H17N2O+ 1 193.1335 0.91
+  194.1539 C12H20NO+ 1 194.1539 -0.41
+  195.1127 C10H15N2O2+ 1 195.1128 -0.56
+  196.1697 C12H22NO+ 1 196.1696 0.35
+  197.1287 C10H17N2O2+ 1 197.1285 1.44
+  198.1487 C11H20NO2+ 1 198.1489 -0.87
+  199.1077 C9H15N2O3+ 1 199.1077 -0.24
+  200.1396 C9H18N3O2+ 1 200.1394 1.13
+  201.1235 C9H17N2O3+ 1 201.1234 0.73
+  201.1598 C10H21N2O2+ 1 201.1598 0.16
+  204.098 C7H14N3O4+ 1 204.0979 0.56
+  206.0808 C11H12NO3+ 2 206.0812 -1.9
+  209.1284 C11H17N2O2+ 1 209.1285 -0.13
+  210.1605 C11H20N3O+ 2 210.1601 2.12
+  211.1442 C11H19N2O2+ 1 211.1441 0.51
+  212.1756 C11H22N3O+ 1 212.1757 -0.72
+  213.1234 C10H17N2O3+ 1 213.1234 0.31
+  213.196 C12H25N2O+ 1 213.1961 -0.62
+  214.1555 C10H20N3O2+ 2 214.155 2.24
+  215.1391 C10H19N2O3+ 1 215.139 0.37
+  221.1286 C12H17N2O2+ 1 221.1285 0.62
+  222.1478 C13H20NO2+ 2 222.1489 -4.79
+  223.1077 C11H15N2O3+ 1 223.1077 -0.11
+  224.1644 C13H22NO2+ 1 224.1645 -0.47
+  225.1599 C12H21N2O2+ 1 225.1598 0.52
+  226.1428 C12H20NO3+ 2 226.1438 -4.49
+  227.1749 C12H23N2O2+ 2 227.1754 -2.04
+  228.1705 C11H22N3O2+ 1 228.1707 -0.66
+  229.1548 C11H21N2O3+ 1 229.1547 0.73
+  230.1496 C10H20N3O3+ 2 230.1499 -1.35
+  237.196 C14H25N2O+ 4 237.1961 -0.77
+  238.1202 C13H18O4+ 2 238.12 1.01
+  238.1551 C12H20N3O2+ 1 238.155 0.34
+  239.139 C12H19N2O3+ 1 239.139 0.06
+  239.1747 C13H23N2O2+ 3 239.1754 -2.78
+  240.1347 C11H18N3O3+ 2 240.1343 1.63
+  241.118 C11H17N2O4+ 2 241.1183 -1.18
+  241.1908 C13H25N2O2+ 3 241.1911 -0.93
+  243.1704 C12H23N2O3+ 1 243.1703 0.36
+  248.1028 C12H14N3O3+ 2 248.103 -0.51
+  250.1547 C13H20N3O2+ 3 250.155 -1.04
+  252.196 C15H26NO2+ 4 252.1958 0.69
+  253.1548 C13H21N2O3+ 2 253.1547 0.7
+  256.1663 C12H22N3O3+ 3 256.1656 3.04
+  257.1863 C13H25N2O3+ 2 257.186 1.2
+  258.145 C11H20N3O4+ 3 258.1448 0.61
+  266.1861 C14H24N3O2+ 4 266.1863 -0.9
+  268.1653 C13H22N3O3+ 3 268.1656 -0.94
+  271.1654 C13H23N2O4+ 3 271.1652 0.79
+  283.1764 C13H23N4O3+ 5 283.1765 -0.21
+  294.1812 C15H24N3O3+ 6 294.1812 -0.08
+  296.1605 C14H22N3O4+ 6 296.1605 0.09
+  296.1969 C15H26N3O3+ 6 296.1969 -0.04
+  296.2332 C16H30N3O2+ 7 296.2333 -0.07
+  300.1916 C14H26N3O4+ 4 300.1918 -0.76
+  310.2122 C16H28N3O3+ 6 310.2125 -1.12
+  311.171 C14H23N4O4+ 5 311.1714 -1.31
+  312.1919 C15H26N3O4+ 7 312.1918 0.22
+  324.1913 C16H26N3O4+ 6 324.1918 -1.5
+  324.2284 C17H30N3O3+ 9 324.2282 0.73
+  329.145 C12H15N11O+ 6 329.1456 -1.75
+  329.1817 C13H19N11+ 8 329.1819 -0.85
+  338.2437 C18H32N3O3+ 7 338.2438 -0.38
+  356.2552 C5H42NO15+ 9 356.2549 0.87
+  366.2396 C6H40NO15+ 9 366.2392 0.83
+  425.317 C27H41N2O2+ 11 425.3163 1.65
+PK$NUM_PEAK: 108
+PK$PEAK: m/z int. rel.int.
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+  338.2437 159214.5 32
+  356.2552 160438.5 32
+  366.2396 67785.5 13
+  425.317 107876.4 21
+//
diff --git a/Eawag/MSBNK-MLU-ED019006.txt b/Eawag/MSBNK-MLU-ED019006.txt
new file mode 100644
index 0000000000..121b077ab3
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED019006.txt
@@ -0,0 +1,242 @@
+ACCESSION: MSBNK-MLU-ED019006
+RECORD_TITLE: Scytocyclamide B; LC-ESI-QFT; MS2; CE: 50%; R=17500; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Enke [dtc], H. Enke [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 190
+CH$NAME: Scytocyclamide B
+CH$NAME: 3-[(3S,6R,9R,12S,15R,18R,21R,24S,31S,34R,37S)-6-(2-amino-1-hydroxy-2-oxoethyl)-9-[(2R)-butan-2-yl]-31-[(1R)-1-hydroxyethyl]-3-[(1S)-1-hydroxyethyl]-15,21-bis(1-hydroxy-2-methylpropyl)-10,18-dimethyl-34-(2-methylpropyl)-2,5,8,11,14,17,20,23,26,30,33,36-dodecaoxo-28-pentyl-24-propan-2-yl-1,4,7,10,13,16,19,22,25,29,32,35-dodecazabicyclo[35.3.0]tetracontan-12-yl]propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C63H110N14O19
+CH$EXACT_MASS: 1366.807167
+CH$SMILES: O=C(N[C@H](C(N[C@@H](C(N[C@@H](C(N[C@@H](C(N[C@H](C(N([C@@H](C(N[C@@H](C(N[C@H](C(N1CCC[C@H]1C(N[C@@H]2CC(C)C)=O)=O)[C@@H](O)C)=O)C(C(N)=O)O)=O)[C@@H](CC)C)C)=O)CCC(N)=O)=O)C(C(C)C)O)=O)C)=O)C(C(C)C)O)=O)C(C)C)CC(CCCCC)NC([C@@H](NC2=O)[C@H](O)C)=O
+CH$IUPAC: InChI=1S/C63H110N14O19/c1-16-18-19-21-36-27-41(81)70-42(29(5)6)56(89)74-45(49(82)30(7)8)58(91)66-33(12)53(86)73-46(50(83)31(9)10)59(92)68-37(23-24-40(64)80)62(95)76(15)48(32(11)17-2)61(94)75-47(51(84)52(65)85)60(93)72-44(35(14)79)63(96)77-25-20-22-39(77)55(88)69-38(26-28(3)4)54(87)71-43(34(13)78)57(90)67-36/h28-39,42-51,78-79,82-84H,16-27H2,1-15H3,(H2,64,80)(H2,65,85)(H,66,91)(H,67,90)(H,68,92)(H,69,88)(H,70,81)(H,71,87)(H,72,93)(H,73,86)(H,74,89)(H,75,94)/t32-,33-,34-,35+,36?,37+,38-,39+,42+,43+,44+,45-,46-,47-,48-,49?,50?,51?/m1/s1
+CH$LINK: PUBCHEM CID:155802246
+CH$LINK: INCHIKEY OIXICRGCRLGQCN-OBKLPJIUSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 94-1415
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.343 min
+MS$FOCUSED_ION: BASE_PEAK 684.4118
+MS$FOCUSED_ION: PRECURSOR_M/Z 1367.8144
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 10400162.94
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0udi-0930000000-2c10ac33ac2584bd2765
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  95.0492 C6H7O+ 1 95.0491 0.33
+  96.0808 C6H10N+ 1 96.0808 0.74
+  98.0966 C6H12N+ 1 98.0964 1.55
+  99.0554 C4H7N2O+ 1 99.0553 1.08
+  100.1121 C6H14N+ 1 100.1121 0.45
+  101.0709 C4H9N2O+ 1 101.0709 0.06
+  102.0913 C5H12NO+ 1 102.0913 0.08
+  112.0757 C6H10NO+ 1 112.0757 -0.08
+  112.1122 C7H14N+ 1 112.1121 0.8
+  114.0914 C6H12NO+ 1 114.0913 0.49
+  116.0704 C5H10NO2+ 1 116.0706 -1.53
+  119.0814 C4H11N2O2+ 1 119.0815 -0.88
+  124.1122 C8H14N+ 1 124.1121 0.62
+  125.0713 C6H9N2O+ 1 125.0709 2.86
+  125.0962 C8H13O+ 1 125.0961 0.63
+  126.0915 C7H12NO+ 1 126.0913 1.03
+  126.1278 C8H16N+ 1 126.1277 0.66
+  128.107 C7H14NO+ 1 128.107 0.34
+  129.066 C5H9N2O2+ 1 129.0659 0.86
+  129.1023 C6H13N2O+ 1 129.1022 0.55
+  130.0499 C5H8NO3+ 1 130.0499 0.12
+  138.0911 C8H12NO+ 1 138.0913 -1.49
+  138.1277 C9H16N+ 1 138.1277 -0.11
+  140.0704 C7H10NO2+ 1 140.0706 -1.17
+  140.1437 C9H18N+ 1 140.1434 2.2
+  141.066 C6H9N2O2+ 1 141.0659 0.81
+  142.0863 C7H12NO2+ 1 142.0863 0.36
+  142.1227 C8H16NO+ 1 142.1226 0.3
+  143.0815 C6H11N2O2+ 1 143.0815 0.28
+  147.1128 C6H15N2O2+ 1 147.1128 -0.29
+  151.0501 C7H7N2O2+ 1 151.0502 -0.89
+  152.1072 C9H14NO+ 1 152.107 1.08
+  153.1023 C8H13N2O+ 1 153.1022 0.34
+  154.1222 C9H16NO+ 1 154.1226 -2.6
+  155.0818 C7H11N2O2+ 1 155.0815 2.16
+  155.1179 C8H15N2O+ 1 155.1179 0.04
+  156.1021 C8H14NO2+ 1 156.1019 0.99
+  156.1384 C9H18NO+ 1 156.1383 0.45
+  157.0972 C7H13N2O2+ 1 157.0972 0.57
+  157.1335 C8H17N2O+ 1 157.1335 -0.36
+  159.0763 C6H11N2O3+ 1 159.0764 -0.55
+  160.1331 C8H18NO2+ 1 160.1332 -0.95
+  166.1228 C10H16NO+ 1 166.1226 0.84
+  167.1179 C9H15N2O+ 1 167.1179 -0.01
+  169.0605 C7H9N2O3+ 1 169.0608 -1.63
+  169.1338 C9H17N2O+ 1 169.1335 1.52
+  171.1127 C8H15N2O2+ 1 171.1128 -0.78
+  173.1285 C8H17N2O2+ 1 173.1285 0.1
+  179.045 C8H7N2O3+ 1 179.0451 -0.44
+  181.0972 C9H13N2O2+ 1 181.0972 0.42
+  181.1332 C10H17N2O+ 1 181.1335 -1.73
+  182.1166 C8H14N4O+ 1 182.1162 1.86
+  183.1493 C10H19N2O+ 1 183.1492 0.51
+  185.1286 C9H17N2O2+ 1 185.1285 0.77
+  186.0871 C7H12N3O3+ 1 186.0873 -1.11
+  187.1442 C9H19N2O2+ 1 187.1441 0.58
+  193.1334 C11H17N2O+ 1 193.1335 -0.83
+  194.154 C12H20NO+ 1 194.1539 0.53
+  195.1129 C10H15N2O2+ 1 195.1128 0.69
+  195.1499 C11H19N2O+ 1 195.1492 3.69
+  196.1698 C12H22NO+ 1 196.1696 0.81
+  197.1286 C10H17N2O2+ 1 197.1285 0.58
+  198.149 C11H20NO2+ 1 198.1489 0.83
+  199.1077 C9H15N2O3+ 1 199.1077 -0.16
+  199.1446 C10H19N2O2+ 1 199.1441 2.47
+  200.1393 C9H18N3O2+ 1 200.1394 -0.09
+  201.1236 C9H17N2O3+ 1 201.1234 1.34
+  201.1599 C10H21N2O2+ 1 201.1598 0.69
+  204.0976 C7H14N3O4+ 2 204.0979 -1.6
+  208.1333 C12H18NO2+ 1 208.1332 0.48
+  209.0928 C10H13N2O3+ 1 209.0921 3.48
+  209.1293 C11H17N2O2+ 1 209.1285 4.1
+  210.1604 C11H20N3O+ 1 210.1601 1.25
+  211.1442 C11H19N2O2+ 1 211.1441 0.65
+  212.1759 C11H22N3O+ 1 212.1757 0.72
+  213.1956 C12H25N2O+ 2 213.1961 -2.41
+  214.1556 C10H20N3O2+ 2 214.155 2.74
+  215.1394 C10H19N2O3+ 1 215.139 1.72
+  221.1286 C12H17N2O2+ 1 221.1285 0.69
+  222.1491 C13H20NO2+ 1 222.1489 0.98
+  223.1078 C11H15N2O3+ 1 223.1077 0.51
+  224.1648 C13H22NO2+ 1 224.1645 1.37
+  225.1599 C12H21N2O2+ 1 225.1598 0.52
+  226.1437 C12H20NO3+ 1 226.1438 -0.23
+  229.155 C11H21N2O3+ 1 229.1547 1.6
+  237.1962 C14H25N2O+ 3 237.1961 0.26
+  238.1557 C12H20N3O2+ 3 238.155 2.9
+  239.139 C12H19N2O3+ 1 239.139 -0.25
+  239.1754 C13H23N2O2+ 2 239.1754 -0.1
+  240.1342 C11H18N3O3+ 1 240.1343 -0.15
+  243.1704 C12H23N2O3+ 1 243.1703 0.36
+  248.1028 C12H14N3O3+ 2 248.103 -0.82
+  250.1551 C13H20N3O2+ 2 250.155 0.36
+  253.1547 C13H21N2O3+ 2 253.1547 0.15
+  258.1451 C11H20N3O4+ 3 258.1448 0.85
+  266.1862 C14H24N3O2+ 4 266.1863 -0.45
+  269.2225 H35N3O12+ 5 269.2215 3.66
+  294.1811 C15H24N3O3+ 5 294.1812 -0.49
+  296.2334 C16H30N3O2+ 7 296.2333 0.44
+  338.2441 C18H32N3O3+ 9 338.2438 0.7
+PK$NUM_PEAK: 100
+PK$PEAK: m/z int. rel.int.
+  95.0492 117053.3 25
+  96.0808 55083.1 12
+  98.0966 67652.7 14
+  99.0554 84178.9 18
+  100.1121 4570417.5 999
+  101.0709 545666.6 119
+  102.0913 1343511.4 293
+  112.0757 306767.4 67
+  112.1122 67893.4 14
+  114.0914 208601.8 45
+  116.0704 54902.4 12
+  119.0814 118973.3 26
+  124.1122 232098.7 50
+  125.0713 56183.1 12
+  125.0962 644737.4 140
+  126.0915 176329.1 38
+  126.1278 98162.9 21
+  128.107 433306.9 94
+  129.066 162167.2 35
+  129.1023 109158.5 23
+  130.0499 68049.5 14
+  138.0911 147570.5 32
+  138.1277 48622.8 10
+  140.0704 194374.5 42
+  140.1437 92153.5 20
+  141.066 83174.3 18
+  142.0863 111579.5 24
+  142.1227 127958.5 27
+  143.0815 331768.3 72
+  147.1128 254061 55
+  151.0501 122872 26
+  152.1072 147798.8 32
+  153.1023 97989.3 21
+  154.1222 78339.2 17
+  155.0818 88226.9 19
+  155.1179 303864 66
+  156.1021 71017.5 15
+  156.1384 182550.5 39
+  157.0972 68564.1 14
+  157.1335 46141.3 10
+  159.0763 134917.5 29
+  160.1331 63221.4 13
+  166.1228 73890.9 16
+  167.1179 49406 10
+  169.0605 115571.2 25
+  169.1338 100264.2 21
+  171.1127 83260.2 18
+  173.1285 828065.6 180
+  179.045 129244 28
+  181.0972 128881.6 28
+  181.1332 79532.8 17
+  182.1166 52813.4 11
+  183.1493 1919445.6 419
+  185.1286 66328.7 14
+  186.0871 56770.6 12
+  187.1442 123799.4 27
+  193.1334 81156.2 17
+  194.154 143470.5 31
+  195.1129 127017.6 27
+  195.1499 73994.4 16
+  196.1698 346411.9 75
+  197.1286 96347.3 21
+  198.149 163522.3 35
+  199.1077 104515.6 22
+  199.1446 80551.5 17
+  200.1393 93704.9 20
+  201.1236 381781 83
+  201.1599 758888.4 165
+  204.0976 60811 13
+  208.1333 52929.2 11
+  209.0928 55129.6 12
+  209.1293 87302 19
+  210.1604 105932.3 23
+  211.1442 1155975.1 252
+  212.1759 75480.1 16
+  213.1956 90978.5 19
+  214.1556 95375.2 20
+  215.1394 139975.4 30
+  221.1286 80286.1 17
+  222.1491 78345.2 17
+  223.1078 192686.3 42
+  224.1648 92638.7 20
+  225.1599 364806 79
+  226.1437 68742.4 15
+  229.155 91634.6 20
+  237.1962 46603.4 10
+  238.1557 79201.7 17
+  239.139 195224.2 42
+  239.1754 80610.8 17
+  240.1342 117386 25
+  243.1704 656844.2 143
+  248.1028 58744.5 12
+  250.1551 109934.1 24
+  253.1547 349092.6 76
+  258.1451 124917.7 27
+  266.1862 81806.3 17
+  269.2225 68568.1 14
+  294.1811 175725.5 38
+  296.2334 51401.6 11
+  338.2441 61955.1 13
+//
diff --git a/Eawag/MSBNK-MLU-ED019007.txt b/Eawag/MSBNK-MLU-ED019007.txt
new file mode 100644
index 0000000000..5068acb7ad
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED019007.txt
@@ -0,0 +1,224 @@
+ACCESSION: MSBNK-MLU-ED019007
+RECORD_TITLE: Scytocyclamide B; LC-ESI-QFT; MS2; CE: 60%; R=17500; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Enke [dtc], H. Enke [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 190
+CH$NAME: Scytocyclamide B
+CH$NAME: 3-[(3S,6R,9R,12S,15R,18R,21R,24S,31S,34R,37S)-6-(2-amino-1-hydroxy-2-oxoethyl)-9-[(2R)-butan-2-yl]-31-[(1R)-1-hydroxyethyl]-3-[(1S)-1-hydroxyethyl]-15,21-bis(1-hydroxy-2-methylpropyl)-10,18-dimethyl-34-(2-methylpropyl)-2,5,8,11,14,17,20,23,26,30,33,36-dodecaoxo-28-pentyl-24-propan-2-yl-1,4,7,10,13,16,19,22,25,29,32,35-dodecazabicyclo[35.3.0]tetracontan-12-yl]propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C63H110N14O19
+CH$EXACT_MASS: 1366.807167
+CH$SMILES: O=C(N[C@H](C(N[C@@H](C(N[C@@H](C(N[C@@H](C(N[C@H](C(N([C@@H](C(N[C@@H](C(N[C@H](C(N1CCC[C@H]1C(N[C@@H]2CC(C)C)=O)=O)[C@@H](O)C)=O)C(C(N)=O)O)=O)[C@@H](CC)C)C)=O)CCC(N)=O)=O)C(C(C)C)O)=O)C)=O)C(C(C)C)O)=O)C(C)C)CC(CCCCC)NC([C@@H](NC2=O)[C@H](O)C)=O
+CH$IUPAC: InChI=1S/C63H110N14O19/c1-16-18-19-21-36-27-41(81)70-42(29(5)6)56(89)74-45(49(82)30(7)8)58(91)66-33(12)53(86)73-46(50(83)31(9)10)59(92)68-37(23-24-40(64)80)62(95)76(15)48(32(11)17-2)61(94)75-47(51(84)52(65)85)60(93)72-44(35(14)79)63(96)77-25-20-22-39(77)55(88)69-38(26-28(3)4)54(87)71-43(34(13)78)57(90)67-36/h28-39,42-51,78-79,82-84H,16-27H2,1-15H3,(H2,64,80)(H2,65,85)(H,66,91)(H,67,90)(H,68,92)(H,69,88)(H,70,81)(H,71,87)(H,72,93)(H,73,86)(H,74,89)(H,75,94)/t32-,33-,34-,35+,36?,37+,38-,39+,42+,43+,44+,45-,46-,47-,48-,49?,50?,51?/m1/s1
+CH$LINK: PUBCHEM CID:155802246
+CH$LINK: INCHIKEY OIXICRGCRLGQCN-OBKLPJIUSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 94-1415
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.343 min
+MS$FOCUSED_ION: BASE_PEAK 684.4118
+MS$FOCUSED_ION: PRECURSOR_M/Z 1367.8144
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 10400162.94
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0udi-0910000000-299aecbe18f2363b1bce
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  95.0492 C6H7O+ 1 95.0491 0.25
+  96.0444 C5H6NO+ 1 96.0444 0.43
+  96.0806 C6H10N+ 1 96.0808 -1.56
+  97.0648 C6H9O+ 1 97.0648 0.24
+  97.1011 C7H13+ 1 97.1012 -0.32
+  98.0602 C5H8NO+ 1 98.06 1.25
+  98.0964 C6H12N+ 1 98.0964 -0.71
+  99.0553 C4H7N2O+ 1 99.0553 0.23
+  100.1121 C6H14N+ 1 100.1121 0.14
+  101.0709 C4H9N2O+ 1 101.0709 -0.01
+  102.0913 C5H12NO+ 1 102.0913 -0.07
+  110.0599 C6H8NO+ 1 110.06 -1.41
+  110.0964 C7H12N+ 1 110.0964 -0.03
+  111.0553 C5H7N2O+ 1 111.0553 -0.1
+  112.0396 C5H6NO2+ 1 112.0393 2.24
+  112.0757 C6H10NO+ 1 112.0757 -0.08
+  112.112 C7H14N+ 1 112.1121 -0.56
+  113.0346 C4H5N2O2+ 1 113.0346 0.07
+  113.0709 C5H9N2O+ 1 113.0709 -0.14
+  114.055 C5H8NO2+ 1 114.055 0.49
+  114.0913 C6H12NO+ 1 114.0913 -0.11
+  115.087 C5H11N2O+ 1 115.0866 3.74
+  116.0706 C5H10NO2+ 1 116.0706 0.38
+  119.0815 C4H11N2O2+ 1 119.0815 -0.24
+  124.1121 C8H14N+ 1 124.1121 0
+  125.0712 C6H9N2O+ 1 125.0709 2.25
+  125.0961 C8H13O+ 1 125.0961 0.44
+  126.0914 C7H12NO+ 1 126.0913 0.18
+  126.1279 C8H16N+ 1 126.1277 1.27
+  127.0864 C6H11N2O+ 1 127.0866 -1.69
+  128.107 C7H14NO+ 1 128.107 0.23
+  129.0658 C5H9N2O2+ 1 129.0659 -0.56
+  129.1024 C6H13N2O+ 1 129.1022 1.26
+  130.0499 C5H8NO3+ 1 130.0499 0.35
+  138.0912 C8H12NO+ 1 138.0913 -0.83
+  138.1276 C9H16N+ 1 138.1277 -0.67
+  139.0499 C6H7N2O2+ 1 139.0502 -1.93
+  139.0865 C7H11N2O+ 1 139.0866 -0.57
+  140.0706 C7H10NO2+ 1 140.0706 0.14
+  140.1069 C8H14NO+ 1 140.107 -0.47
+  140.1435 C9H18N+ 1 140.1434 1
+  141.0658 C6H9N2O2+ 1 141.0659 -0.27
+  142.0497 C6H8NO3+ 1 142.0499 -1.51
+  142.0864 C7H12NO2+ 1 142.0863 0.68
+  142.1227 C8H16NO+ 1 142.1226 0.09
+  143.0814 C6H11N2O2+ 1 143.0815 -0.47
+  147.1129 C6H15N2O2+ 1 147.1128 0.64
+  151.0502 C7H7N2O2+ 1 151.0502 0.02
+  152.107 C9H14NO+ 1 152.107 -0.02
+  153.102 C8H13N2O+ 1 153.1022 -1.65
+  154.1229 C9H16NO+ 1 154.1226 1.36
+  155.0814 C7H11N2O2+ 1 155.0815 -0.99
+  155.1178 C8H15N2O+ 1 155.1179 -0.36
+  155.1538 C9H19N2+ 1 155.1543 -3.36
+  156.1384 C9H18NO+ 1 156.1383 0.45
+  157.0976 C7H13N2O2+ 1 157.0972 2.99
+  159.0763 C6H11N2O3+ 1 159.0764 -0.55
+  166.1225 C10H16NO+ 1 166.1226 -0.72
+  167.1184 C9H15N2O+ 1 167.1179 3
+  168.1016 C9H14NO2+ 1 168.1019 -1.57
+  169.0608 C7H9N2O3+ 1 169.0608 -0.1
+  169.1336 C9H17N2O+ 1 169.1335 0.43
+  171.1125 C8H15N2O2+ 1 171.1128 -1.94
+  173.1284 C8H17N2O2+ 1 173.1285 -0.08
+  179.0452 C8H7N2O3+ 1 179.0451 0.24
+  181.0971 C9H13N2O2+ 1 181.0972 -0.34
+  181.1336 C10H17N2O+ 1 181.1335 0.2
+  182.1169 C8H14N4O+ 2 182.1162 3.53
+  183.1492 C10H19N2O+ 1 183.1492 0.09
+  193.1336 C11H17N2O+ 1 193.1335 0.52
+  194.1543 C12H20NO+ 1 194.1539 1.86
+  195.1128 C10H15N2O2+ 1 195.1128 0.22
+  196.1697 C12H22NO+ 1 196.1696 0.42
+  197.1281 C10H17N2O2+ 2 197.1285 -1.89
+  198.1487 C11H20NO2+ 1 198.1489 -0.71
+  199.1076 C9H15N2O3+ 1 199.1077 -0.39
+  199.1445 C10H19N2O2+ 1 199.1441 1.94
+  200.1388 C9H18N3O2+ 2 200.1394 -2.91
+  201.1236 C9H17N2O3+ 1 201.1234 1.26
+  201.1598 C10H21N2O2+ 1 201.1598 0.23
+  208.1333 C12H18NO2+ 1 208.1332 0.55
+  209.1287 C11H17N2O2+ 1 209.1285 0.96
+  210.1604 C11H20N3O+ 2 210.1601 1.61
+  211.1442 C11H19N2O2+ 1 211.1441 0.51
+  221.1279 C12H17N2O2+ 2 221.1285 -2.62
+  223.1078 C11H15N2O3+ 1 223.1077 0.37
+  225.1597 C12H21N2O2+ 1 225.1598 -0.15
+  238.1198 C13H18O4+ 2 238.12 -0.85
+  243.1705 C12H23N2O3+ 1 243.1703 0.67
+  250.1556 H28NO13+ 3 250.1555 0.2
+  253.1546 C13H21N2O3+ 2 253.1547 -0.09
+PK$NUM_PEAK: 91
+PK$PEAK: m/z int. rel.int.
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+  96.0806 81076.7 20
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+  115.087 49828.3 12
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+  119.0815 81905.5 20
+  124.1121 237524.9 60
+  125.0712 91748.8 23
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+  126.0914 202913 51
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+  128.107 359020.6 91
+  129.0658 153559 39
+  129.1024 89280.6 22
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+  138.1276 91886.4 23
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+  140.0706 188215.3 48
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+  142.1227 136528.6 34
+  143.0814 214622.9 54
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+  182.1169 65981.2 16
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+  208.1333 46201.8 11
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+  223.1078 109441.8 27
+  225.1597 139748.9 35
+  238.1198 55363.4 14
+  243.1705 164880.8 42
+  250.1556 67438.9 17
+  253.1546 144234.7 36
+//
diff --git a/Eawag/MSBNK-MLU-ED019008.txt b/Eawag/MSBNK-MLU-ED019008.txt
new file mode 100644
index 0000000000..ddd2fa2987
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED019008.txt
@@ -0,0 +1,190 @@
+ACCESSION: MSBNK-MLU-ED019008
+RECORD_TITLE: Scytocyclamide B; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Enke [dtc], H. Enke [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 190
+CH$NAME: Scytocyclamide B
+CH$NAME: 3-[(3S,6R,9R,12S,15R,18R,21R,24S,31S,34R,37S)-6-(2-amino-1-hydroxy-2-oxoethyl)-9-[(2R)-butan-2-yl]-31-[(1R)-1-hydroxyethyl]-3-[(1S)-1-hydroxyethyl]-15,21-bis(1-hydroxy-2-methylpropyl)-10,18-dimethyl-34-(2-methylpropyl)-2,5,8,11,14,17,20,23,26,30,33,36-dodecaoxo-28-pentyl-24-propan-2-yl-1,4,7,10,13,16,19,22,25,29,32,35-dodecazabicyclo[35.3.0]tetracontan-12-yl]propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C63H110N14O19
+CH$EXACT_MASS: 1366.807167
+CH$SMILES: O=C(N[C@H](C(N[C@@H](C(N[C@@H](C(N[C@@H](C(N[C@H](C(N([C@@H](C(N[C@@H](C(N[C@H](C(N1CCC[C@H]1C(N[C@@H]2CC(C)C)=O)=O)[C@@H](O)C)=O)C(C(N)=O)O)=O)[C@@H](CC)C)C)=O)CCC(N)=O)=O)C(C(C)C)O)=O)C)=O)C(C(C)C)O)=O)C(C)C)CC(CCCCC)NC([C@@H](NC2=O)[C@H](O)C)=O
+CH$IUPAC: InChI=1S/C63H110N14O19/c1-16-18-19-21-36-27-41(81)70-42(29(5)6)56(89)74-45(49(82)30(7)8)58(91)66-33(12)53(86)73-46(50(83)31(9)10)59(92)68-37(23-24-40(64)80)62(95)76(15)48(32(11)17-2)61(94)75-47(51(84)52(65)85)60(93)72-44(35(14)79)63(96)77-25-20-22-39(77)55(88)69-38(26-28(3)4)54(87)71-43(34(13)78)57(90)67-36/h28-39,42-51,78-79,82-84H,16-27H2,1-15H3,(H2,64,80)(H2,65,85)(H,66,91)(H,67,90)(H,68,92)(H,69,88)(H,70,81)(H,71,87)(H,72,93)(H,73,86)(H,74,89)(H,75,94)/t32-,33-,34-,35+,36?,37+,38-,39+,42+,43+,44+,45-,46-,47-,48-,49?,50?,51?/m1/s1
+CH$LINK: PUBCHEM CID:155802246
+CH$LINK: INCHIKEY OIXICRGCRLGQCN-OBKLPJIUSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 94-1415
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.343 min
+MS$FOCUSED_ION: BASE_PEAK 684.4118
+MS$FOCUSED_ION: PRECURSOR_M/Z 1367.8144
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 10400162.94
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0udi-0900000000-c9831dd4e94f1861e860
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  95.0492 C6H7O+ 1 95.0491 0.73
+  95.0604 C5H7N2+ 1 95.0604 0.38
+  96.0444 C5H6NO+ 1 96.0444 -0.21
+  96.0808 C6H10N+ 1 96.0808 -0.21
+  97.0649 C6H9O+ 1 97.0648 0.87
+  97.1012 C7H13+ 1 97.1012 0.15
+  98.06 C5H8NO+ 1 98.06 -0.16
+  98.0964 C6H12N+ 1 98.0964 -0.55
+  100.1121 C6H14N+ 1 100.1121 0.29
+  101.071 C4H9N2O+ 1 101.0709 0.37
+  102.0913 C5H12NO+ 1 102.0913 0.08
+  110.06 C6H8NO+ 1 110.06 -0.51
+  110.0965 C7H12N+ 1 110.0964 0.87
+  111.0555 C5H7N2O+ 1 111.0553 1.96
+  111.0917 C6H11N2+ 1 111.0917 0.52
+  112.0394 C5H6NO2+ 1 112.0393 1.29
+  112.0757 C6H10NO+ 1 112.0757 0.26
+  112.1121 C7H14N+ 1 112.1121 0.12
+  113.0347 C4H5N2O2+ 1 113.0346 0.88
+  113.0712 C5H9N2O+ 1 113.0709 1.95
+  114.0549 C5H8NO2+ 1 114.055 -0.18
+  114.0914 C6H12NO+ 1 114.0913 0.49
+  116.0707 C5H10NO2+ 1 116.0706 1.1
+  119.0816 C4H11N2O2+ 1 119.0815 0.78
+  123.055 C6H7N2O+ 1 123.0553 -2.48
+  124.0395 C6H6NO2+ 1 124.0393 1.55
+  124.1122 C8H14N+ 1 124.1121 0.8
+  125.0711 C6H9N2O+ 1 125.0709 0.91
+  125.0962 C8H13O+ 1 125.0961 0.69
+  126.0913 C7H12NO+ 1 126.0913 -0.3
+  126.1274 C8H16N+ 1 126.1277 -2.72
+  127.0502 C5H7N2O2+ 1 127.0502 -0.37
+  127.0866 C6H11N2O+ 1 127.0866 -0.01
+  128.107 C7H14NO+ 1 128.107 0.23
+  129.1023 C6H13N2O+ 1 129.1022 0.32
+  130.0499 C5H8NO3+ 1 130.0499 0
+  137.071 C7H9N2O+ 1 137.0709 0.52
+  138.0913 C8H12NO+ 1 138.0913 -0.05
+  138.1276 C9H16N+ 1 138.1277 -1.22
+  139.0501 C6H7N2O2+ 1 139.0502 -1.05
+  140.0707 C7H10NO2+ 1 140.0706 0.79
+  140.1068 C8H14NO+ 1 140.107 -1.01
+  140.1434 C9H18N+ 1 140.1434 0.02
+  141.0659 C6H9N2O2+ 1 141.0659 0.38
+  142.0503 C6H8NO3+ 1 142.0499 2.78
+  142.086 C7H12NO2+ 1 142.0863 -1.57
+  142.1228 C8H16NO+ 1 142.1226 0.84
+  143.0813 C6H11N2O2+ 1 143.0815 -1.75
+  147.1128 C6H15N2O2+ 1 147.1128 -0.09
+  151.0501 C7H7N2O2+ 1 151.0502 -0.79
+  152.1069 C9H14NO+ 1 152.107 -0.32
+  153.1021 C8H13N2O+ 1 153.1022 -0.95
+  154.1229 C9H16NO+ 1 154.1226 1.66
+  155.1179 C8H15N2O+ 1 155.1179 0.33
+  155.1541 C9H19N2+ 1 155.1543 -1.39
+  156.1383 C9H18NO+ 1 156.1383 0.25
+  157.1337 C8H17N2O+ 1 157.1335 0.71
+  159.0768 C6H11N2O3+ 1 159.0764 2.42
+  165.1381 C10H17N2+ 1 165.1386 -2.93
+  166.1226 C10H16NO+ 1 166.1226 -0.07
+  169.061 C7H9N2O3+ 1 169.0608 1.62
+  173.1285 C8H17N2O2+ 1 173.1285 0.54
+  179.0447 C8H7N2O3+ 1 179.0451 -2.06
+  181.0975 C9H13N2O2+ 1 181.0972 1.94
+  181.1336 C10H17N2O+ 1 181.1335 0.54
+  182.117 C10H16NO2+ 2 182.1176 -2.84
+  183.1134 C9H15N2O2+ 1 183.1128 3.47
+  183.1492 C10H19N2O+ 1 183.1492 -0.07
+  193.1338 C11H17N2O+ 1 193.1335 1.39
+  195.1134 C10H15N2O2+ 1 195.1128 3.19
+  196.1699 C12H22NO+ 1 196.1696 1.59
+  198.1482 C11H20NO2+ 2 198.1489 -3.25
+  201.1599 C10H21N2O2+ 1 201.1598 0.69
+  211.144 C11H19N2O2+ 1 211.1441 -0.43
+PK$NUM_PEAK: 74
+PK$PEAK: m/z int. rel.int.
+  95.0492 124042.1 55
+  95.0604 24739.1 10
+  96.0444 77839.4 34
+  96.0808 67106.3 29
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+  97.1012 58931 26
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+  100.1121 2251664.2 999
+  101.071 272795.6 121
+  102.0913 856659 380
+  110.06 60583.7 26
+  110.0965 47409.6 21
+  111.0555 49517 21
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+  112.0394 34132.1 15
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+  112.1121 78656 34
+  113.0347 35283.4 15
+  113.0712 38870 17
+  114.0549 50148.3 22
+  114.0914 141404.4 62
+  116.0707 95941.2 42
+  119.0816 29549.1 13
+  123.055 47692.9 21
+  124.0395 34559.9 15
+  124.1122 169212.7 75
+  125.0711 50027.1 22
+  125.0962 513100.9 227
+  126.0913 96607.3 42
+  126.1274 60446.9 26
+  127.0502 31962.2 14
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+  147.1128 30893 13
+  151.0501 165745.1 73
+  152.1069 79425.5 35
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+  155.1179 99693.3 44
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+  156.1383 123497 54
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+  165.1381 28462.6 12
+  166.1226 61844 27
+  169.061 52565.8 23
+  173.1285 159432.2 70
+  179.0447 56348.5 25
+  181.0975 57736.8 25
+  181.1336 31328.1 13
+  182.117 44386 19
+  183.1134 29754.2 13
+  183.1492 276567.8 122
+  193.1338 34863.1 15
+  195.1134 38872.7 17
+  196.1699 26139.2 11
+  198.1482 23311.5 10
+  201.1599 148868 66
+  211.144 107826.5 47
+//
diff --git a/Eawag/MSBNK-MLU-ED019009.txt b/Eawag/MSBNK-MLU-ED019009.txt
new file mode 100644
index 0000000000..a163e40249
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED019009.txt
@@ -0,0 +1,166 @@
+ACCESSION: MSBNK-MLU-ED019009
+RECORD_TITLE: Scytocyclamide B; LC-ESI-QFT; MS2; CE: 80%; R=17500; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Enke [dtc], H. Enke [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 190
+CH$NAME: Scytocyclamide B
+CH$NAME: 3-[(3S,6R,9R,12S,15R,18R,21R,24S,31S,34R,37S)-6-(2-amino-1-hydroxy-2-oxoethyl)-9-[(2R)-butan-2-yl]-31-[(1R)-1-hydroxyethyl]-3-[(1S)-1-hydroxyethyl]-15,21-bis(1-hydroxy-2-methylpropyl)-10,18-dimethyl-34-(2-methylpropyl)-2,5,8,11,14,17,20,23,26,30,33,36-dodecaoxo-28-pentyl-24-propan-2-yl-1,4,7,10,13,16,19,22,25,29,32,35-dodecazabicyclo[35.3.0]tetracontan-12-yl]propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C63H110N14O19
+CH$EXACT_MASS: 1366.807167
+CH$SMILES: O=C(N[C@H](C(N[C@@H](C(N[C@@H](C(N[C@@H](C(N[C@H](C(N([C@@H](C(N[C@@H](C(N[C@H](C(N1CCC[C@H]1C(N[C@@H]2CC(C)C)=O)=O)[C@@H](O)C)=O)C(C(N)=O)O)=O)[C@@H](CC)C)C)=O)CCC(N)=O)=O)C(C(C)C)O)=O)C)=O)C(C(C)C)O)=O)C(C)C)CC(CCCCC)NC([C@@H](NC2=O)[C@H](O)C)=O
+CH$IUPAC: InChI=1S/C63H110N14O19/c1-16-18-19-21-36-27-41(81)70-42(29(5)6)56(89)74-45(49(82)30(7)8)58(91)66-33(12)53(86)73-46(50(83)31(9)10)59(92)68-37(23-24-40(64)80)62(95)76(15)48(32(11)17-2)61(94)75-47(51(84)52(65)85)60(93)72-44(35(14)79)63(96)77-25-20-22-39(77)55(88)69-38(26-28(3)4)54(87)71-43(34(13)78)57(90)67-36/h28-39,42-51,78-79,82-84H,16-27H2,1-15H3,(H2,64,80)(H2,65,85)(H,66,91)(H,67,90)(H,68,92)(H,69,88)(H,70,81)(H,71,87)(H,72,93)(H,73,86)(H,74,89)(H,75,94)/t32-,33-,34-,35+,36?,37+,38-,39+,42+,43+,44+,45-,46-,47-,48-,49?,50?,51?/m1/s1
+CH$LINK: PUBCHEM CID:155802246
+CH$LINK: INCHIKEY OIXICRGCRLGQCN-OBKLPJIUSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 94-1415
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.343 min
+MS$FOCUSED_ION: BASE_PEAK 684.4118
+MS$FOCUSED_ION: PRECURSOR_M/Z 1367.8144
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 10400162.94
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0udi-0900000000-9fe476a3d469515bbc93
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  95.0491 C6H7O+ 1 95.0491 -0.07
+  95.0604 C5H7N2+ 1 95.0604 0.7
+  96.0445 C5H6NO+ 1 96.0444 0.91
+  96.0808 C6H10N+ 1 96.0808 0.34
+  97.0648 C6H9O+ 1 97.0648 -0.08
+  97.1012 C7H13+ 1 97.1012 0.47
+  98.06 C5H8NO+ 1 98.06 -0.31
+  99.0554 C4H7N2O+ 1 99.0553 0.69
+  100.1121 C6H14N+ 1 100.1121 0.29
+  101.0709 C4H9N2O+ 1 101.0709 -0.01
+  102.0913 C5H12NO+ 1 102.0913 0
+  110.0963 C7H12N+ 1 110.0964 -0.93
+  111.0553 C5H7N2O+ 1 111.0553 0.18
+  111.0916 C6H11N2+ 1 111.0917 -0.38
+  112.0757 C6H10NO+ 1 112.0757 0.33
+  113.0346 C4H5N2O2+ 1 113.0346 0.54
+  113.071 C5H9N2O+ 1 113.0709 0.47
+  114.055 C5H8NO2+ 1 114.055 0.63
+  114.0913 C6H12NO+ 1 114.0913 -0.38
+  116.0707 C5H10NO2+ 1 116.0706 0.64
+  119.0815 C4H11N2O2+ 1 119.0815 -0.44
+  123.0554 C6H7N2O+ 1 123.0553 1.12
+  124.1122 C8H14N+ 1 124.1121 0.62
+  125.0712 C6H9N2O+ 1 125.0709 2.32
+  125.0962 C8H13O+ 1 125.0961 0.69
+  126.0914 C7H12NO+ 1 126.0913 0.12
+  126.128 C8H16N+ 1 126.1277 2.05
+  127.05 C5H7N2O2+ 1 127.0502 -1.99
+  129.0657 C5H9N2O2+ 1 129.0659 -0.92
+  129.1021 C6H13N2O+ 1 129.1022 -1.1
+  130.0499 C5H8NO3+ 1 130.0499 0.24
+  137.0706 C7H9N2O+ 1 137.0709 -2.6
+  138.0913 C8H12NO+ 1 138.0913 -0.16
+  138.1276 C9H16N+ 1 138.1277 -1.11
+  139.05 C6H7N2O2+ 1 139.0502 -1.82
+  140.0707 C7H10NO2+ 1 140.0706 1.01
+  140.1073 C8H14NO+ 1 140.107 2.04
+  140.1434 C9H18N+ 1 140.1434 0.45
+  141.0659 C6H9N2O2+ 1 141.0659 0.27
+  142.0863 C7H12NO2+ 1 142.0863 0.58
+  142.1226 C8H16NO+ 1 142.1226 -0.34
+  143.0816 C6H11N2O2+ 1 143.0815 0.92
+  151.0503 C7H7N2O2+ 1 151.0502 0.63
+  152.1072 C9H14NO+ 1 152.107 1.18
+  153.102 C8H13N2O+ 1 153.1022 -1.65
+  154.1226 C9H16NO+ 1 154.1226 -0.32
+  155.1178 C8H15N2O+ 1 155.1179 -0.75
+  155.1541 C9H19N2+ 1 155.1543 -1.2
+  156.1383 C9H18NO+ 1 156.1383 0.25
+  157.1335 C8H17N2O+ 1 157.1335 -0.07
+  166.1226 C10H16NO+ 1 166.1226 -0.44
+  167.1172 C9H15N2O+ 2 167.1179 -3.85
+  168.1019 C9H14NO2+ 1 168.1019 0.06
+  173.1286 C8H17N2O2+ 1 173.1285 0.63
+  181.0966 C9H13N2O2+ 2 181.0972 -3.04
+  182.1172 C10H16NO2+ 1 182.1176 -2
+  183.1491 C10H19N2O+ 1 183.1492 -0.24
+  193.1334 C11H17N2O+ 1 193.1335 -0.51
+  195.1126 C10H15N2O2+ 1 195.1128 -1.03
+  196.1693 C12H22NO+ 1 196.1696 -1.6
+  201.1599 C10H21N2O2+ 1 201.1598 0.92
+  211.144 C11H19N2O2+ 1 211.1441 -0.51
+PK$NUM_PEAK: 62
+PK$PEAK: m/z int. rel.int.
+  95.0491 181268.4 57
+  95.0604 43942.2 13
+  96.0445 155759.1 49
+  96.0808 131308.8 41
+  97.0648 44379.2 13
+  97.1012 95260.3 30
+  98.06 112787.8 35
+  99.0554 117984.4 37
+  100.1121 3171828 999
+  101.0709 416298.4 131
+  102.0913 1321463.2 416
+  110.0963 107569.7 33
+  111.0553 88249.1 27
+  111.0916 31850.3 10
+  112.0757 405218.9 127
+  113.0346 62685.6 19
+  113.071 60999.9 19
+  114.055 63676.1 20
+  114.0913 230013.3 72
+  116.0707 117851.6 37
+  119.0815 38978.8 12
+  123.0554 97897.6 30
+  124.1122 220887.7 69
+  125.0712 82474.5 25
+  125.0962 760439.1 239
+  126.0914 152247.8 47
+  126.128 92841.5 29
+  127.05 41498.1 13
+  129.0657 104215.3 32
+  129.1021 53153.4 16
+  130.0499 80957.4 25
+  137.0706 43054.8 13
+  138.0913 182063.9 57
+  138.1276 159726.3 50
+  139.05 46454 14
+  140.0707 100763.6 31
+  140.1073 62032.4 19
+  140.1434 108011.1 34
+  141.0659 90293.7 28
+  142.0863 58716 18
+  142.1226 126305.5 39
+  143.0816 130018.4 40
+  151.0503 221266.7 69
+  152.1072 156151.9 49
+  153.102 94905.5 29
+  154.1226 50775.3 15
+  155.1178 140654.1 44
+  155.1541 105546.5 33
+  156.1383 198307.9 62
+  157.1335 64830.6 20
+  166.1226 95612.3 30
+  167.1172 36773 11
+  168.1019 46697.4 14
+  173.1286 198214.9 62
+  181.0966 56425.4 17
+  182.1172 47327.2 14
+  183.1491 382610.2 120
+  193.1334 59157.7 18
+  195.1126 58524.8 18
+  196.1693 46976.8 14
+  201.1599 196070.5 61
+  211.144 133954.2 42
+//
diff --git a/Eawag/MSBNK-MLU-ED019051.txt b/Eawag/MSBNK-MLU-ED019051.txt
new file mode 100644
index 0000000000..e0e37cb07a
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED019051.txt
@@ -0,0 +1,44 @@
+ACCESSION: MSBNK-MLU-ED019051
+RECORD_TITLE: Scytocyclamide B; LC-ESI-QFT; MS2; CE: 15%; R=17500; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Enke [dtc], H. Enke [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 190
+CH$NAME: Scytocyclamide B
+CH$NAME: 3-[(3S,6R,9R,12S,15R,18R,21R,24S,31S,34R,37S)-6-(2-amino-1-hydroxy-2-oxoethyl)-9-[(2R)-butan-2-yl]-31-[(1R)-1-hydroxyethyl]-3-[(1S)-1-hydroxyethyl]-15,21-bis(1-hydroxy-2-methylpropyl)-10,18-dimethyl-34-(2-methylpropyl)-2,5,8,11,14,17,20,23,26,30,33,36-dodecaoxo-28-pentyl-24-propan-2-yl-1,4,7,10,13,16,19,22,25,29,32,35-dodecazabicyclo[35.3.0]tetracontan-12-yl]propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C63H110N14O19
+CH$EXACT_MASS: 1366.807167
+CH$SMILES: O=C(N[C@H](C(N[C@@H](C(N[C@@H](C(N[C@@H](C(N[C@H](C(N([C@@H](C(N[C@@H](C(N[C@H](C(N1CCC[C@H]1C(N[C@@H]2CC(C)C)=O)=O)[C@@H](O)C)=O)C(C(N)=O)O)=O)[C@@H](CC)C)C)=O)CCC(N)=O)=O)C(C(C)C)O)=O)C)=O)C(C(C)C)O)=O)C(C)C)CC(CCCCC)NC([C@@H](NC2=O)[C@H](O)C)=O
+CH$IUPAC: InChI=1S/C63H110N14O19/c1-16-18-19-21-36-27-41(81)70-42(29(5)6)56(89)74-45(49(82)30(7)8)58(91)66-33(12)53(86)73-46(50(83)31(9)10)59(92)68-37(23-24-40(64)80)62(95)76(15)48(32(11)17-2)61(94)75-47(51(84)52(65)85)60(93)72-44(35(14)79)63(96)77-25-20-22-39(77)55(88)69-38(26-28(3)4)54(87)71-43(34(13)78)57(90)67-36/h28-39,42-51,78-79,82-84H,16-27H2,1-15H3,(H2,64,80)(H2,65,85)(H,66,91)(H,67,90)(H,68,92)(H,69,88)(H,70,81)(H,71,87)(H,72,93)(H,73,86)(H,74,89)(H,75,94)/t32-,33-,34-,35+,36?,37+,38-,39+,42+,43+,44+,45-,46-,47-,48-,49?,50?,51?/m1/s1
+CH$LINK: PUBCHEM CID:155802246
+CH$LINK: INCHIKEY OIXICRGCRLGQCN-OBKLPJIUSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 94-1410
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.367 min
+MS$FOCUSED_ION: BASE_PEAK 1365.8001
+MS$FOCUSED_ION: PRECURSOR_M/Z 1365.7999
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 3212682.88
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03di-9000000000-40e0ef3c4ea52809ce5f
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  1060.6171 C51H84N10O14- 19 1060.6174 -0.27
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  1060.6171 1281870 999
+//
diff --git a/Eawag/MSBNK-MLU-ED019052.txt b/Eawag/MSBNK-MLU-ED019052.txt
new file mode 100644
index 0000000000..ace25897ba
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED019052.txt
@@ -0,0 +1,48 @@
+ACCESSION: MSBNK-MLU-ED019052
+RECORD_TITLE: Scytocyclamide B; LC-ESI-QFT; MS2; CE: 20%; R=17500; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Enke [dtc], H. Enke [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 190
+CH$NAME: Scytocyclamide B
+CH$NAME: 3-[(3S,6R,9R,12S,15R,18R,21R,24S,31S,34R,37S)-6-(2-amino-1-hydroxy-2-oxoethyl)-9-[(2R)-butan-2-yl]-31-[(1R)-1-hydroxyethyl]-3-[(1S)-1-hydroxyethyl]-15,21-bis(1-hydroxy-2-methylpropyl)-10,18-dimethyl-34-(2-methylpropyl)-2,5,8,11,14,17,20,23,26,30,33,36-dodecaoxo-28-pentyl-24-propan-2-yl-1,4,7,10,13,16,19,22,25,29,32,35-dodecazabicyclo[35.3.0]tetracontan-12-yl]propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C63H110N14O19
+CH$EXACT_MASS: 1366.807167
+CH$SMILES: O=C(N[C@H](C(N[C@@H](C(N[C@@H](C(N[C@@H](C(N[C@H](C(N([C@@H](C(N[C@@H](C(N[C@H](C(N1CCC[C@H]1C(N[C@@H]2CC(C)C)=O)=O)[C@@H](O)C)=O)C(C(N)=O)O)=O)[C@@H](CC)C)C)=O)CCC(N)=O)=O)C(C(C)C)O)=O)C)=O)C(C(C)C)O)=O)C(C)C)CC(CCCCC)NC([C@@H](NC2=O)[C@H](O)C)=O
+CH$IUPAC: InChI=1S/C63H110N14O19/c1-16-18-19-21-36-27-41(81)70-42(29(5)6)56(89)74-45(49(82)30(7)8)58(91)66-33(12)53(86)73-46(50(83)31(9)10)59(92)68-37(23-24-40(64)80)62(95)76(15)48(32(11)17-2)61(94)75-47(51(84)52(65)85)60(93)72-44(35(14)79)63(96)77-25-20-22-39(77)55(88)69-38(26-28(3)4)54(87)71-43(34(13)78)57(90)67-36/h28-39,42-51,78-79,82-84H,16-27H2,1-15H3,(H2,64,80)(H2,65,85)(H,66,91)(H,67,90)(H,68,92)(H,69,88)(H,70,81)(H,71,87)(H,72,93)(H,73,86)(H,74,89)(H,75,94)/t32-,33-,34-,35+,36?,37+,38-,39+,42+,43+,44+,45-,46-,47-,48-,49?,50?,51?/m1/s1
+CH$LINK: PUBCHEM CID:155802246
+CH$LINK: INCHIKEY OIXICRGCRLGQCN-OBKLPJIUSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 94-1410
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.367 min
+MS$FOCUSED_ION: BASE_PEAK 1365.8001
+MS$FOCUSED_ION: PRECURSOR_M/Z 1365.7999
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 3212682.88
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03di-9200000000-cae33470a98f8802fcf2
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  1060.6165 C50H88N6O18- 20 1060.6161 0.42
+  1061.6203 C43H87N11O19- 22 1061.6185 1.67
+  1104.6415 C50H90N9O18- 17 1104.6409 0.55
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  1060.6165 5155440.5 999
+  1061.6203 350735.3 67
+  1104.6415 1413882.1 273
+//
diff --git a/Eawag/MSBNK-MLU-ED019053.txt b/Eawag/MSBNK-MLU-ED019053.txt
new file mode 100644
index 0000000000..5546bf8ce1
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED019053.txt
@@ -0,0 +1,46 @@
+ACCESSION: MSBNK-MLU-ED019053
+RECORD_TITLE: Scytocyclamide B; LC-ESI-QFT; MS2; CE: 25%; R=17500; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Enke [dtc], H. Enke [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 190
+CH$NAME: Scytocyclamide B
+CH$NAME: 3-[(3S,6R,9R,12S,15R,18R,21R,24S,31S,34R,37S)-6-(2-amino-1-hydroxy-2-oxoethyl)-9-[(2R)-butan-2-yl]-31-[(1R)-1-hydroxyethyl]-3-[(1S)-1-hydroxyethyl]-15,21-bis(1-hydroxy-2-methylpropyl)-10,18-dimethyl-34-(2-methylpropyl)-2,5,8,11,14,17,20,23,26,30,33,36-dodecaoxo-28-pentyl-24-propan-2-yl-1,4,7,10,13,16,19,22,25,29,32,35-dodecazabicyclo[35.3.0]tetracontan-12-yl]propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C63H110N14O19
+CH$EXACT_MASS: 1366.807167
+CH$SMILES: O=C(N[C@H](C(N[C@@H](C(N[C@@H](C(N[C@@H](C(N[C@H](C(N([C@@H](C(N[C@@H](C(N[C@H](C(N1CCC[C@H]1C(N[C@@H]2CC(C)C)=O)=O)[C@@H](O)C)=O)C(C(N)=O)O)=O)[C@@H](CC)C)C)=O)CCC(N)=O)=O)C(C(C)C)O)=O)C)=O)C(C(C)C)O)=O)C(C)C)CC(CCCCC)NC([C@@H](NC2=O)[C@H](O)C)=O
+CH$IUPAC: InChI=1S/C63H110N14O19/c1-16-18-19-21-36-27-41(81)70-42(29(5)6)56(89)74-45(49(82)30(7)8)58(91)66-33(12)53(86)73-46(50(83)31(9)10)59(92)68-37(23-24-40(64)80)62(95)76(15)48(32(11)17-2)61(94)75-47(51(84)52(65)85)60(93)72-44(35(14)79)63(96)77-25-20-22-39(77)55(88)69-38(26-28(3)4)54(87)71-43(34(13)78)57(90)67-36/h28-39,42-51,78-79,82-84H,16-27H2,1-15H3,(H2,64,80)(H2,65,85)(H,66,91)(H,67,90)(H,68,92)(H,69,88)(H,70,81)(H,71,87)(H,72,93)(H,73,86)(H,74,89)(H,75,94)/t32-,33-,34-,35+,36?,37+,38-,39+,42+,43+,44+,45-,46-,47-,48-,49?,50?,51?/m1/s1
+CH$LINK: PUBCHEM CID:155802246
+CH$LINK: INCHIKEY OIXICRGCRLGQCN-OBKLPJIUSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 94-1410
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.367 min
+MS$FOCUSED_ION: BASE_PEAK 1365.8001
+MS$FOCUSED_ION: PRECURSOR_M/Z 1365.7999
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 3212682.88
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03di-9000000000-d929d2fe982ea74acf4b
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  1060.6166 C50H88N6O18- 21 1060.6161 0.53
+  1061.6189 C43H87N11O19- 21 1061.6185 0.4
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  1060.6166 3789908.2 999
+  1061.6189 280819.1 74
+//
diff --git a/Eawag/MSBNK-MLU-ED019054.txt b/Eawag/MSBNK-MLU-ED019054.txt
new file mode 100644
index 0000000000..8b5339fda9
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED019054.txt
@@ -0,0 +1,60 @@
+ACCESSION: MSBNK-MLU-ED019054
+RECORD_TITLE: Scytocyclamide B; LC-ESI-QFT; MS2; CE: 30%; R=17500; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Enke [dtc], H. Enke [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 190
+CH$NAME: Scytocyclamide B
+CH$NAME: 3-[(3S,6R,9R,12S,15R,18R,21R,24S,31S,34R,37S)-6-(2-amino-1-hydroxy-2-oxoethyl)-9-[(2R)-butan-2-yl]-31-[(1R)-1-hydroxyethyl]-3-[(1S)-1-hydroxyethyl]-15,21-bis(1-hydroxy-2-methylpropyl)-10,18-dimethyl-34-(2-methylpropyl)-2,5,8,11,14,17,20,23,26,30,33,36-dodecaoxo-28-pentyl-24-propan-2-yl-1,4,7,10,13,16,19,22,25,29,32,35-dodecazabicyclo[35.3.0]tetracontan-12-yl]propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C63H110N14O19
+CH$EXACT_MASS: 1366.807167
+CH$SMILES: O=C(N[C@H](C(N[C@@H](C(N[C@@H](C(N[C@@H](C(N[C@H](C(N([C@@H](C(N[C@@H](C(N[C@H](C(N1CCC[C@H]1C(N[C@@H]2CC(C)C)=O)=O)[C@@H](O)C)=O)C(C(N)=O)O)=O)[C@@H](CC)C)C)=O)CCC(N)=O)=O)C(C(C)C)O)=O)C)=O)C(C(C)C)O)=O)C(C)C)CC(CCCCC)NC([C@@H](NC2=O)[C@H](O)C)=O
+CH$IUPAC: InChI=1S/C63H110N14O19/c1-16-18-19-21-36-27-41(81)70-42(29(5)6)56(89)74-45(49(82)30(7)8)58(91)66-33(12)53(86)73-46(50(83)31(9)10)59(92)68-37(23-24-40(64)80)62(95)76(15)48(32(11)17-2)61(94)75-47(51(84)52(65)85)60(93)72-44(35(14)79)63(96)77-25-20-22-39(77)55(88)69-38(26-28(3)4)54(87)71-43(34(13)78)57(90)67-36/h28-39,42-51,78-79,82-84H,16-27H2,1-15H3,(H2,64,80)(H2,65,85)(H,66,91)(H,67,90)(H,68,92)(H,69,88)(H,70,81)(H,71,87)(H,72,93)(H,73,86)(H,74,89)(H,75,94)/t32-,33-,34-,35+,36?,37+,38-,39+,42+,43+,44+,45-,46-,47-,48-,49?,50?,51?/m1/s1
+CH$LINK: PUBCHEM CID:155802246
+CH$LINK: INCHIKEY OIXICRGCRLGQCN-OBKLPJIUSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 94-1410
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.367 min
+MS$FOCUSED_ION: BASE_PEAK 1365.8001
+MS$FOCUSED_ION: PRECURSOR_M/Z 1365.7999
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 3212682.88
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03di-9010020010-b695ccadabe3c4aa13b1
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  184.0724 C7H10N3O3- 1 184.0728 -1.95
+  283.1775 C13H23N4O3- 4 283.1776 -0.37
+  296.1981 C15H26N3O3- 5 296.198 0.53
+  340.199 C15H26N5O4- 8 340.199 -0.12
+  397.2209 C18H25N10O- 12 397.2218 -2.29
+  524.3202 C23H36N14O- 14 524.3202 -0.01
+  709.399 C16H59N11O19- 24 709.3994 -0.54
+  805.4584 C40H59N11O7- 27 805.4604 -2.53
+  1060.6171 C51H84N10O14- 19 1060.6174 -0.27
+PK$NUM_PEAK: 9
+PK$PEAK: m/z int. rel.int.
+  184.0724 46685.3 32
+  283.1775 70435.9 48
+  296.1981 181417.6 125
+  340.199 38165.9 26
+  397.2209 61785.4 42
+  524.3202 341327.1 236
+  709.399 159953.6 110
+  805.4584 287109.5 198
+  1060.6171 1441501 999
+//
diff --git a/Eawag/MSBNK-MLU-ED019055.txt b/Eawag/MSBNK-MLU-ED019055.txt
new file mode 100644
index 0000000000..74ca19618f
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED019055.txt
@@ -0,0 +1,102 @@
+ACCESSION: MSBNK-MLU-ED019055
+RECORD_TITLE: Scytocyclamide B; LC-ESI-QFT; MS2; CE: 40%; R=17500; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Enke [dtc], H. Enke [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 190
+CH$NAME: Scytocyclamide B
+CH$NAME: 3-[(3S,6R,9R,12S,15R,18R,21R,24S,31S,34R,37S)-6-(2-amino-1-hydroxy-2-oxoethyl)-9-[(2R)-butan-2-yl]-31-[(1R)-1-hydroxyethyl]-3-[(1S)-1-hydroxyethyl]-15,21-bis(1-hydroxy-2-methylpropyl)-10,18-dimethyl-34-(2-methylpropyl)-2,5,8,11,14,17,20,23,26,30,33,36-dodecaoxo-28-pentyl-24-propan-2-yl-1,4,7,10,13,16,19,22,25,29,32,35-dodecazabicyclo[35.3.0]tetracontan-12-yl]propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C63H110N14O19
+CH$EXACT_MASS: 1366.807167
+CH$SMILES: O=C(N[C@H](C(N[C@@H](C(N[C@@H](C(N[C@@H](C(N[C@H](C(N([C@@H](C(N[C@@H](C(N[C@H](C(N1CCC[C@H]1C(N[C@@H]2CC(C)C)=O)=O)[C@@H](O)C)=O)C(C(N)=O)O)=O)[C@@H](CC)C)C)=O)CCC(N)=O)=O)C(C(C)C)O)=O)C)=O)C(C(C)C)O)=O)C(C)C)CC(CCCCC)NC([C@@H](NC2=O)[C@H](O)C)=O
+CH$IUPAC: InChI=1S/C63H110N14O19/c1-16-18-19-21-36-27-41(81)70-42(29(5)6)56(89)74-45(49(82)30(7)8)58(91)66-33(12)53(86)73-46(50(83)31(9)10)59(92)68-37(23-24-40(64)80)62(95)76(15)48(32(11)17-2)61(94)75-47(51(84)52(65)85)60(93)72-44(35(14)79)63(96)77-25-20-22-39(77)55(88)69-38(26-28(3)4)54(87)71-43(34(13)78)57(90)67-36/h28-39,42-51,78-79,82-84H,16-27H2,1-15H3,(H2,64,80)(H2,65,85)(H,66,91)(H,67,90)(H,68,92)(H,69,88)(H,70,81)(H,71,87)(H,72,93)(H,73,86)(H,74,89)(H,75,94)/t32-,33-,34-,35+,36?,37+,38-,39+,42+,43+,44+,45-,46-,47-,48-,49?,50?,51?/m1/s1
+CH$LINK: PUBCHEM CID:155802246
+CH$LINK: INCHIKEY OIXICRGCRLGQCN-OBKLPJIUSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 94-1410
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.367 min
+MS$FOCUSED_ION: BASE_PEAK 1365.8001
+MS$FOCUSED_ION: PRECURSOR_M/Z 1365.7999
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 3212682.88
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-007n-0491000000-21f113ea19f487fe4ba0
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  113.0341 C2H3N5O- 1 113.0343 -1.68
+  127.05 C3H5N5O- 1 127.05 0.71
+  140.1072 C6H12N4- 1 140.1067 3.31
+  143.1182 C5H13N5- 1 143.1176 3.83
+  153.0664 C7H9N2O2- 1 153.067 -3.63
+  166.0619 C7H8N3O2- 1 166.0622 -2.06
+  167.0456 C7H7N2O3- 2 167.0462 -3.51
+  169.0982 C8H13N2O2- 1 169.0983 -0.36
+  170.0934 C7H12N3O2- 1 170.0935 -0.52
+  172.1088 C7H14N3O2- 1 172.1092 -1.94
+  183.1132 C9H15N2O2- 2 183.1139 -4
+  184.0731 C7H10N3O3- 1 184.0728 1.61
+  186.1245 C8H16N3O2- 1 186.1248 -1.36
+  200.1405 C9H18N3O2- 1 200.1405 0.34
+  201.0995 C7H13N4O3- 1 201.0993 0.83
+  208.1101 C10H14N3O2- 2 208.1092 4.53
+  210.0881 C9H12N3O3- 2 210.0884 -1.63
+  212.104 C9H14N3O3- 1 212.1041 -0.15
+  227.1146 C9H15N4O3- 3 227.115 -1.41
+  239.1761 C13H23N2O2- 3 239.1765 -1.58
+  240.1351 C11H18N3O3- 2 240.1354 -0.92
+  243.1458 C10H19N4O3- 3 243.1463 -1.92
+  254.151 C12H20N3O3- 1 254.151 -0.11
+  257.1617 C11H21N4O3- 3 257.1619 -0.83
+  271.1782 C12H23N4O3- 3 271.1776 2.31
+  283.1775 C13H23N4O3- 5 283.1776 -0.16
+  296.198 C15H26N3O3- 6 296.198 0.11
+  340.1987 C15H26N5O4- 8 340.199 -1.01
+  397.22 C18H25N10O- 12 397.2218 -4.67
+  524.32 C23H36N14O- 16 524.3202 -0.47
+PK$NUM_PEAK: 30
+PK$PEAK: m/z int. rel.int.
+  113.0341 15729.6 35
+  127.05 60047 135
+  140.1072 48924.9 110
+  143.1182 66056.5 149
+  153.0664 31820.2 71
+  166.0619 40169 90
+  167.0456 26958.6 60
+  169.0982 23169.7 52
+  170.0934 37341.5 84
+  172.1088 131264.1 296
+  183.1132 63855.3 144
+  184.0731 77443.4 174
+  186.1245 92763.1 209
+  200.1405 72608.6 163
+  201.0995 46950.9 105
+  208.1101 11269.9 25
+  210.0881 29954.7 67
+  212.104 123864.1 279
+  227.1146 44174.8 99
+  239.1761 119268.9 269
+  240.1351 30228.6 68
+  243.1458 113513.1 256
+  254.151 29218.9 65
+  257.1617 90135.2 203
+  271.1782 37715.3 85
+  283.1775 442624.4 999
+  296.198 356955.4 805
+  340.1987 194922.9 439
+  397.22 94578.1 213
+  524.32 95836.2 216
+//
diff --git a/Eawag/MSBNK-MLU-ED019056.txt b/Eawag/MSBNK-MLU-ED019056.txt
new file mode 100644
index 0000000000..0b7dd98000
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED019056.txt
@@ -0,0 +1,102 @@
+ACCESSION: MSBNK-MLU-ED019056
+RECORD_TITLE: Scytocyclamide B; LC-ESI-QFT; MS2; CE: 50%; R=17500; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Enke [dtc], H. Enke [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 190
+CH$NAME: Scytocyclamide B
+CH$NAME: 3-[(3S,6R,9R,12S,15R,18R,21R,24S,31S,34R,37S)-6-(2-amino-1-hydroxy-2-oxoethyl)-9-[(2R)-butan-2-yl]-31-[(1R)-1-hydroxyethyl]-3-[(1S)-1-hydroxyethyl]-15,21-bis(1-hydroxy-2-methylpropyl)-10,18-dimethyl-34-(2-methylpropyl)-2,5,8,11,14,17,20,23,26,30,33,36-dodecaoxo-28-pentyl-24-propan-2-yl-1,4,7,10,13,16,19,22,25,29,32,35-dodecazabicyclo[35.3.0]tetracontan-12-yl]propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C63H110N14O19
+CH$EXACT_MASS: 1366.807167
+CH$SMILES: O=C(N[C@H](C(N[C@@H](C(N[C@@H](C(N[C@@H](C(N[C@H](C(N([C@@H](C(N[C@@H](C(N[C@H](C(N1CCC[C@H]1C(N[C@@H]2CC(C)C)=O)=O)[C@@H](O)C)=O)C(C(N)=O)O)=O)[C@@H](CC)C)C)=O)CCC(N)=O)=O)C(C(C)C)O)=O)C)=O)C(C(C)C)O)=O)C(C)C)CC(CCCCC)NC([C@@H](NC2=O)[C@H](O)C)=O
+CH$IUPAC: InChI=1S/C63H110N14O19/c1-16-18-19-21-36-27-41(81)70-42(29(5)6)56(89)74-45(49(82)30(7)8)58(91)66-33(12)53(86)73-46(50(83)31(9)10)59(92)68-37(23-24-40(64)80)62(95)76(15)48(32(11)17-2)61(94)75-47(51(84)52(65)85)60(93)72-44(35(14)79)63(96)77-25-20-22-39(77)55(88)69-38(26-28(3)4)54(87)71-43(34(13)78)57(90)67-36/h28-39,42-51,78-79,82-84H,16-27H2,1-15H3,(H2,64,80)(H2,65,85)(H,66,91)(H,67,90)(H,68,92)(H,69,88)(H,70,81)(H,71,87)(H,72,93)(H,73,86)(H,74,89)(H,75,94)/t32-,33-,34-,35+,36?,37+,38-,39+,42+,43+,44+,45-,46-,47-,48-,49?,50?,51?/m1/s1
+CH$LINK: PUBCHEM CID:155802246
+CH$LINK: INCHIKEY OIXICRGCRLGQCN-OBKLPJIUSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 94-1410
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.367 min
+MS$FOCUSED_ION: BASE_PEAK 1365.8001
+MS$FOCUSED_ION: PRECURSOR_M/Z 1365.7999
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 3212682.88
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0fhl-0980000000-32e4848b46a716373e67
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  99.0188 CHN5O- 1 99.0187 1.3
+  112.0504 C2H4N6- 1 112.0503 1.19
+  113.0344 C2H3N5O- 1 113.0343 0.41
+  113.071 C3H7N5- 1 113.0707 2.56
+  115.0864 C3H9N5- 1 115.0863 0.13
+  123.0549 C4H5N5- 1 123.055 -1.2
+  126.066 C3H6N6- 1 126.0659 0.25
+  130.0611 C2H6N6O- 1 130.0609 1.94
+  144.0774 C5H10N3O2- 1 144.0779 -2.79
+  151.0869 C6H9N5- 1 151.0863 3.82
+  153.0663 C7H9N2O2- 2 153.067 -4.32
+  155.0823 C7H11N2O2- 1 155.0826 -2.26
+  166.0619 C7H8N3O2- 1 166.0622 -1.79
+  167.0458 C7H7N2O3- 1 167.0462 -2.41
+  170.0932 C7H12N3O2- 1 170.0935 -1.69
+  172.1088 C7H14N3O2- 1 172.1092 -2.12
+  180.0775 C8H10N3O2- 1 180.0779 -1.91
+  182.1296 C9H16N3O- 1 182.1299 -1.3
+  183.0884 C7H11N4O2- 1 183.0887 -1.81
+  186.1247 C8H16N3O2- 1 186.1248 -0.46
+  200.1404 C9H18N3O2- 1 200.1405 -0.11
+  201.0991 C7H13N4O3- 1 201.0993 -0.91
+  209.1292 C11H17N2O2- 2 209.1296 -1.66
+  211.12 C9H15N4O2- 1 211.12 -0.3
+  212.1042 C9H14N3O3- 1 212.1041 0.78
+  225.1357 C10H17N4O2- 1 225.1357 0.22
+  239.1765 C13H23N2O2- 2 239.1765 -0.12
+  243.1468 C10H19N4O3- 2 243.1463 2.16
+  278.187 H30N4O12- 5 278.1866 1.43
+  283.1776 C13H23N4O3- 5 283.1776 0.06
+PK$NUM_PEAK: 30
+PK$PEAK: m/z int. rel.int.
+  99.0188 47802.4 162
+  112.0504 26752.8 91
+  113.0344 42311.5 143
+  113.071 44671.1 151
+  115.0864 35264.7 119
+  123.0549 22418.4 76
+  126.066 41403.3 140
+  130.0611 39940.5 135
+  144.0774 90119.8 306
+  151.0869 82488.4 280
+  153.0663 63242.6 215
+  155.0823 31731.6 107
+  166.0619 50390.5 171
+  167.0458 21049.9 71
+  170.0932 55225.7 187
+  172.1088 212123.4 721
+  180.0775 22081 75
+  182.1296 14084.7 47
+  183.0884 22143.9 75
+  186.1247 110962.6 377
+  200.1404 79707.4 271
+  201.0991 50624.9 172
+  209.1292 56236 191
+  211.12 12621.3 42
+  212.1042 80208.9 272
+  225.1357 192420.2 654
+  239.1765 63693 216
+  243.1468 72669.3 247
+  278.187 23100.5 78
+  283.1776 293619.6 999
+//
diff --git a/Eawag/MSBNK-MLU-ED019101.txt b/Eawag/MSBNK-MLU-ED019101.txt
new file mode 100644
index 0000000000..fcbd95161b
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED019101.txt
@@ -0,0 +1,54 @@
+ACCESSION: MSBNK-MLU-ED019101
+RECORD_TITLE: Scytocyclamide C; LC-ESI-QFT; MS2; CE: 15%; R=17500; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Enke [dtc], H. Enke [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 191
+CH$NAME: Scytocyclamide C
+CH$NAME: 3-[(3S,6R,9R,12S,15R,18R,21R,24S,31S,34R,37S)-6-(2-amino-1-hydroxy-2-oxoethyl)-9-[(2R)-butan-2-yl]-31-[(1R)-1-hydroxyethyl]-3-[(1S)-1-hydroxyethyl]-21-(1-hydroxy-2-methylpropyl)-10,18-dimethyl-15,34-bis(2-methylpropyl)-2,5,8,11,14,17,20,23,26,30,33,36-dodecaoxo-28-pentyl-24-propan-2-yl-1,4,7,10,13,16,19,22,25,29,32,35-dodecazabicyclo[35.3.0]tetracontan-12-yl]propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C63H110N14O18
+CH$EXACT_MASS: 1350.812253
+CH$SMILES: O=C(N[C@H](C(N[C@@H](C(N[C@@H](C(N[C@@H](C(N[C@H](C(N([C@@H](C(N[C@@H](C(N[C@H](C(N1CCC[C@H]1C(N[C@@H]2CC(C)C)=O)=O)[C@@H](O)C)=O)C(C(N)=O)O)=O)[C@@H](CC)C)C)=O)CCC(N)=O)=O)CC(C)C)=O)C)=O)C(C(C)C)O)=O)C(C)C)CC(CCCCC)NC([C@@H](NC2=O)[C@H](O)C)=O
+CH$IUPAC: InChI=1S/C63H110N14O18/c1-16-18-19-21-37-28-43(81)71-44(31(7)8)57(89)74-47(50(82)32(9)10)59(91)66-34(12)53(85)69-39(26-29(3)4)54(86)68-38(23-24-42(64)80)62(94)76(15)49(33(11)17-2)61(93)75-48(51(83)52(65)84)60(92)73-46(36(14)79)63(95)77-25-20-22-41(77)56(88)70-40(27-30(5)6)55(87)72-45(35(13)78)58(90)67-37/h29-41,44-51,78-79,82-83H,16-28H2,1-15H3,(H2,64,80)(H2,65,84)(H,66,91)(H,67,90)(H,68,86)(H,69,85)(H,70,88)(H,71,81)(H,72,87)(H,73,92)(H,74,89)(H,75,93)/t33-,34-,35-,36+,37?,38+,39-,40-,41+,44+,45+,46+,47-,48-,49-,50?,51?/m1/s1
+CH$LINK: PUBCHEM CID:155802207
+CH$LINK: INCHIKEY MXJFACMBSIQIJG-RAVCUMSJSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 93-1395
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.529 min
+MS$FOCUSED_ION: BASE_PEAK 676.4143
+MS$FOCUSED_ION: PRECURSOR_M/Z 1351.8195
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 1452038.94
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0udi-0009000000-e0bf3b3c969d3ee922eb
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  150.1919 C2H24N5O2+ 1 150.1925 -3.69
+  150.2054 C3H26N4O2+ 1 150.205 2.69
+  1315.8002 C63H107N14O16+ 1 1315.7984 1.35
+  1333.8082 C63H109N14O17+ 1 1333.809 -0.57
+  1334.7951 C63H108N13O18+ 1 1334.793 1.62
+  1351.8199 C63H111N14O18+ 1 1351.8195 0.28
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  150.1919 106419.4 16
+  150.2054 387063.1 60
+  1315.8002 199801.4 31
+  1333.8082 558649.7 87
+  1334.7951 247183.7 38
+  1351.8199 6407705 999
+//
diff --git a/Eawag/MSBNK-MLU-ED019102.txt b/Eawag/MSBNK-MLU-ED019102.txt
new file mode 100644
index 0000000000..dbbc107ba9
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED019102.txt
@@ -0,0 +1,56 @@
+ACCESSION: MSBNK-MLU-ED019102
+RECORD_TITLE: Scytocyclamide C; LC-ESI-QFT; MS2; CE: 20%; R=17500; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Enke [dtc], H. Enke [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 191
+CH$NAME: Scytocyclamide C
+CH$NAME: 3-[(3S,6R,9R,12S,15R,18R,21R,24S,31S,34R,37S)-6-(2-amino-1-hydroxy-2-oxoethyl)-9-[(2R)-butan-2-yl]-31-[(1R)-1-hydroxyethyl]-3-[(1S)-1-hydroxyethyl]-21-(1-hydroxy-2-methylpropyl)-10,18-dimethyl-15,34-bis(2-methylpropyl)-2,5,8,11,14,17,20,23,26,30,33,36-dodecaoxo-28-pentyl-24-propan-2-yl-1,4,7,10,13,16,19,22,25,29,32,35-dodecazabicyclo[35.3.0]tetracontan-12-yl]propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C63H110N14O18
+CH$EXACT_MASS: 1350.812253
+CH$SMILES: O=C(N[C@H](C(N[C@@H](C(N[C@@H](C(N[C@@H](C(N[C@H](C(N([C@@H](C(N[C@@H](C(N[C@H](C(N1CCC[C@H]1C(N[C@@H]2CC(C)C)=O)=O)[C@@H](O)C)=O)C(C(N)=O)O)=O)[C@@H](CC)C)C)=O)CCC(N)=O)=O)CC(C)C)=O)C)=O)C(C(C)C)O)=O)C(C)C)CC(CCCCC)NC([C@@H](NC2=O)[C@H](O)C)=O
+CH$IUPAC: InChI=1S/C63H110N14O18/c1-16-18-19-21-37-28-43(81)71-44(31(7)8)57(89)74-47(50(82)32(9)10)59(91)66-34(12)53(85)69-39(26-29(3)4)54(86)68-38(23-24-42(64)80)62(94)76(15)49(33(11)17-2)61(93)75-48(51(83)52(65)84)60(92)73-46(36(14)79)63(95)77-25-20-22-41(77)56(88)70-40(27-30(5)6)55(87)72-45(35(13)78)58(90)67-37/h29-41,44-51,78-79,82-83H,16-28H2,1-15H3,(H2,64,80)(H2,65,84)(H,66,91)(H,67,90)(H,68,86)(H,69,85)(H,70,88)(H,71,81)(H,72,87)(H,73,92)(H,74,89)(H,75,93)/t33-,34-,35-,36+,37?,38+,39-,40-,41+,44+,45+,46+,47-,48-,49-,50?,51?/m1/s1
+CH$LINK: PUBCHEM CID:155802207
+CH$LINK: INCHIKEY MXJFACMBSIQIJG-RAVCUMSJSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 93-1395
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.529 min
+MS$FOCUSED_ION: BASE_PEAK 676.4143
+MS$FOCUSED_ION: PRECURSOR_M/Z 1351.8195
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 1452038.94
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0udi-0009000000-0b751c6d8e88987a5389
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  150.1918 C2H24N5O2+ 3 150.1925 -4.2
+  150.2054 C3H26N4O2+ 1 150.205 2.39
+  440.2877 C21H38N5O5+ 14 440.2867 2.28
+  1315.7996 C63H107N14O16+ 1 1315.7984 0.88
+  1333.8105 C63H109N14O17+ 1 1333.809 1.17
+  1334.792 C63H108N13O18+ 1 1334.793 -0.75
+  1351.8202 C63H111N14O18+ 1 1351.8195 0.46
+PK$NUM_PEAK: 7
+PK$PEAK: m/z int. rel.int.
+  150.1918 53735.7 16
+  150.2054 190741 59
+  440.2877 52371.3 16
+  1315.7996 205544 64
+  1333.8105 663827.1 208
+  1334.792 251197 78
+  1351.8202 3181144.2 999
+//
diff --git a/Eawag/MSBNK-MLU-ED019103.txt b/Eawag/MSBNK-MLU-ED019103.txt
new file mode 100644
index 0000000000..ceeaee711b
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED019103.txt
@@ -0,0 +1,84 @@
+ACCESSION: MSBNK-MLU-ED019103
+RECORD_TITLE: Scytocyclamide C; LC-ESI-QFT; MS2; CE: 25%; R=17500; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Enke [dtc], H. Enke [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 191
+CH$NAME: Scytocyclamide C
+CH$NAME: 3-[(3S,6R,9R,12S,15R,18R,21R,24S,31S,34R,37S)-6-(2-amino-1-hydroxy-2-oxoethyl)-9-[(2R)-butan-2-yl]-31-[(1R)-1-hydroxyethyl]-3-[(1S)-1-hydroxyethyl]-21-(1-hydroxy-2-methylpropyl)-10,18-dimethyl-15,34-bis(2-methylpropyl)-2,5,8,11,14,17,20,23,26,30,33,36-dodecaoxo-28-pentyl-24-propan-2-yl-1,4,7,10,13,16,19,22,25,29,32,35-dodecazabicyclo[35.3.0]tetracontan-12-yl]propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C63H110N14O18
+CH$EXACT_MASS: 1350.812253
+CH$SMILES: O=C(N[C@H](C(N[C@@H](C(N[C@@H](C(N[C@@H](C(N[C@H](C(N([C@@H](C(N[C@@H](C(N[C@H](C(N1CCC[C@H]1C(N[C@@H]2CC(C)C)=O)=O)[C@@H](O)C)=O)C(C(N)=O)O)=O)[C@@H](CC)C)C)=O)CCC(N)=O)=O)CC(C)C)=O)C)=O)C(C(C)C)O)=O)C(C)C)CC(CCCCC)NC([C@@H](NC2=O)[C@H](O)C)=O
+CH$IUPAC: InChI=1S/C63H110N14O18/c1-16-18-19-21-37-28-43(81)71-44(31(7)8)57(89)74-47(50(82)32(9)10)59(91)66-34(12)53(85)69-39(26-29(3)4)54(86)68-38(23-24-42(64)80)62(94)76(15)49(33(11)17-2)61(93)75-48(51(83)52(65)84)60(92)73-46(36(14)79)63(95)77-25-20-22-41(77)56(88)70-40(27-30(5)6)55(87)72-45(35(13)78)58(90)67-37/h29-41,44-51,78-79,82-83H,16-28H2,1-15H3,(H2,64,80)(H2,65,84)(H,66,91)(H,67,90)(H,68,86)(H,69,85)(H,70,88)(H,71,81)(H,72,87)(H,73,92)(H,74,89)(H,75,93)/t33-,34-,35-,36+,37?,38+,39-,40-,41+,44+,45+,46+,47-,48-,49-,50?,51?/m1/s1
+CH$LINK: PUBCHEM CID:155802207
+CH$LINK: INCHIKEY MXJFACMBSIQIJG-RAVCUMSJSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 93-1395
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.529 min
+MS$FOCUSED_ION: BASE_PEAK 676.4143
+MS$FOCUSED_ION: PRECURSOR_M/Z 1351.8195
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 1452038.94
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0udi-0259221000-96a5c0f5e55870b6f86c
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  100.1121 C6H14N+ 1 100.1121 -0.24
+  128.107 C7H14NO+ 1 128.107 -0.25
+  156.1019 C8H14NO2+ 1 156.1019 -0.08
+  201.1236 C9H17N2O3+ 1 201.1234 0.96
+  211.1445 C11H19N2O2+ 1 211.1441 1.73
+  239.1392 C12H19N2O3+ 1 239.139 0.83
+  242.1507 C11H20N3O3+ 2 242.1499 3.3
+  243.1707 C12H23N2O3+ 1 243.1703 1.74
+  252.1954 C15H26NO2+ 5 252.1958 -1.43
+  256.1657 C12H22N3O3+ 2 256.1656 0.53
+  312.1917 C15H26N3O4+ 7 312.1918 -0.17
+  314.2072 C15H28N3O4+ 5 314.2074 -0.82
+  342.2387 C17H32N3O4+ 8 342.2387 -0.22
+  440.2871 C21H38N5O5+ 13 440.2867 0.89
+  441.3065 C7H47N5O15+ 13 441.3063 0.52
+  453.3058 C7H41N12O10+ 13 453.3063 -1.09
+  552.3786 C15H58N3O17+ 16 552.3761 4.54
+  682.4477 C30H62N6O11+ 20 682.4471 0.87
+  1289.7779 C62H105N12O17+ 3 1289.7715 4.92
+  1333.8086 C63H109N14O17+ 1 1333.809 -0.29
+  1351.82 C63H111N14O18+ 1 1351.8195 0.37
+PK$NUM_PEAK: 21
+PK$PEAK: m/z int. rel.int.
+  100.1121 137018.4 513
+  128.107 9690.4 36
+  156.1019 30414 114
+  201.1236 26892.7 100
+  211.1445 28916.9 108
+  239.1392 75691.8 283
+  242.1507 24116.9 90
+  243.1707 16809.5 63
+  252.1954 51061.7 191
+  256.1657 74318.5 278
+  312.1917 23317.1 87
+  314.2072 24775.4 92
+  342.2387 21069.5 78
+  440.2871 89057.7 333
+  441.3065 41904.5 157
+  453.3058 35661.1 133
+  552.3786 130672.6 489
+  682.4477 72118 270
+  1289.7779 29597.1 110
+  1333.8086 198283.9 743
+  1351.82 266474.3 999
+//
diff --git a/Eawag/MSBNK-MLU-ED019104.txt b/Eawag/MSBNK-MLU-ED019104.txt
new file mode 100644
index 0000000000..54dc575081
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED019104.txt
@@ -0,0 +1,94 @@
+ACCESSION: MSBNK-MLU-ED019104
+RECORD_TITLE: Scytocyclamide C; LC-ESI-QFT; MS2; CE: 30%; R=17500; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Enke [dtc], H. Enke [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 191
+CH$NAME: Scytocyclamide C
+CH$NAME: 3-[(3S,6R,9R,12S,15R,18R,21R,24S,31S,34R,37S)-6-(2-amino-1-hydroxy-2-oxoethyl)-9-[(2R)-butan-2-yl]-31-[(1R)-1-hydroxyethyl]-3-[(1S)-1-hydroxyethyl]-21-(1-hydroxy-2-methylpropyl)-10,18-dimethyl-15,34-bis(2-methylpropyl)-2,5,8,11,14,17,20,23,26,30,33,36-dodecaoxo-28-pentyl-24-propan-2-yl-1,4,7,10,13,16,19,22,25,29,32,35-dodecazabicyclo[35.3.0]tetracontan-12-yl]propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C63H110N14O18
+CH$EXACT_MASS: 1350.812253
+CH$SMILES: O=C(N[C@H](C(N[C@@H](C(N[C@@H](C(N[C@@H](C(N[C@H](C(N([C@@H](C(N[C@@H](C(N[C@H](C(N1CCC[C@H]1C(N[C@@H]2CC(C)C)=O)=O)[C@@H](O)C)=O)C(C(N)=O)O)=O)[C@@H](CC)C)C)=O)CCC(N)=O)=O)CC(C)C)=O)C)=O)C(C(C)C)O)=O)C(C)C)CC(CCCCC)NC([C@@H](NC2=O)[C@H](O)C)=O
+CH$IUPAC: InChI=1S/C63H110N14O18/c1-16-18-19-21-37-28-43(81)71-44(31(7)8)57(89)74-47(50(82)32(9)10)59(91)66-34(12)53(85)69-39(26-29(3)4)54(86)68-38(23-24-42(64)80)62(94)76(15)49(33(11)17-2)61(93)75-48(51(83)52(65)84)60(92)73-46(36(14)79)63(95)77-25-20-22-41(77)56(88)70-40(27-30(5)6)55(87)72-45(35(13)78)58(90)67-37/h29-41,44-51,78-79,82-83H,16-28H2,1-15H3,(H2,64,80)(H2,65,84)(H,66,91)(H,67,90)(H,68,86)(H,69,85)(H,70,88)(H,71,81)(H,72,87)(H,73,92)(H,74,89)(H,75,93)/t33-,34-,35-,36+,37?,38+,39-,40-,41+,44+,45+,46+,47-,48-,49-,50?,51?/m1/s1
+CH$LINK: PUBCHEM CID:155802207
+CH$LINK: INCHIKEY MXJFACMBSIQIJG-RAVCUMSJSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 93-1395
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.529 min
+MS$FOCUSED_ION: BASE_PEAK 676.4143
+MS$FOCUSED_ION: PRECURSOR_M/Z 1351.8195
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 1452038.94
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0udi-0892010000-551807a4fc0f9440c47b
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  100.1121 C6H14N+ 1 100.1121 -0.24
+  101.0709 C4H9N2O+ 1 101.0709 0.06
+  126.0914 C7H12NO+ 1 126.0913 0.43
+  128.107 C7H14NO+ 1 128.107 0.23
+  143.0812 C6H11N2O2+ 1 143.0815 -2.17
+  156.1019 C8H14NO2+ 1 156.1019 0.01
+  173.1285 C8H17N2O2+ 1 173.1285 0.01
+  183.1496 C10H19N2O+ 1 183.1492 2.18
+  185.1287 C9H17N2O2+ 1 185.1285 1.26
+  201.1239 C9H17N2O3+ 1 201.1234 2.47
+  211.1441 C11H19N2O2+ 1 211.1441 0
+  225.1602 C12H21N2O2+ 1 225.1598 2.01
+  228.1711 C11H22N3O2+ 2 228.1707 1.88
+  239.139 C12H19N2O3+ 1 239.139 0
+  242.1504 C11H20N3O3+ 2 242.1499 1.85
+  243.1705 C12H23N2O3+ 1 243.1703 0.86
+  252.196 C15H26NO2+ 4 252.1958 0.75
+  253.1548 C13H21N2O3+ 2 253.1547 0.4
+  256.1653 C12H22N3O3+ 2 256.1656 -1.13
+  258.1449 C11H20N3O4+ 1 258.1448 0.14
+  312.1926 C2H34NO15+ 7 312.1923 0.92
+  314.2074 C15H28N3O4+ 7 314.2074 -0.14
+  329.2183 C15H29N4O4+ 8 329.2183 0.03
+  359.1938 C2H35N2O17+ 9 359.193 2.09
+  551.3546 C41H45N+ 17 551.3547 -0.1
+  552.3771 C15H58N3O17+ 16 552.3761 1.78
+PK$NUM_PEAK: 26
+PK$PEAK: m/z int. rel.int.
+  100.1121 417468.4 999
+  101.0709 60132.1 143
+  126.0914 16052.1 38
+  128.107 57638.2 137
+  143.0812 19291.5 46
+  156.1019 59130.5 141
+  173.1285 29027.9 69
+  183.1496 68454.5 163
+  185.1287 38581.2 92
+  201.1239 81740.9 195
+  211.1441 142624.4 341
+  225.1602 29883.2 71
+  228.1711 25792.2 61
+  239.139 168042.6 402
+  242.1504 71503.1 171
+  243.1705 86455.4 206
+  252.196 82363.6 197
+  253.1548 11139.8 26
+  256.1653 58308 139
+  258.1449 19882.3 47
+  312.1926 90913.8 217
+  314.2074 65246.7 156
+  329.2183 50819.4 121
+  359.1938 50478.2 120
+  551.3546 23847.8 57
+  552.3771 133506.6 319
+//
diff --git a/Eawag/MSBNK-MLU-ED019105.txt b/Eawag/MSBNK-MLU-ED019105.txt
new file mode 100644
index 0000000000..683c1a907e
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED019105.txt
@@ -0,0 +1,140 @@
+ACCESSION: MSBNK-MLU-ED019105
+RECORD_TITLE: Scytocyclamide C; LC-ESI-QFT; MS2; CE: 40%; R=17500; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Enke [dtc], H. Enke [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 191
+CH$NAME: Scytocyclamide C
+CH$NAME: 3-[(3S,6R,9R,12S,15R,18R,21R,24S,31S,34R,37S)-6-(2-amino-1-hydroxy-2-oxoethyl)-9-[(2R)-butan-2-yl]-31-[(1R)-1-hydroxyethyl]-3-[(1S)-1-hydroxyethyl]-21-(1-hydroxy-2-methylpropyl)-10,18-dimethyl-15,34-bis(2-methylpropyl)-2,5,8,11,14,17,20,23,26,30,33,36-dodecaoxo-28-pentyl-24-propan-2-yl-1,4,7,10,13,16,19,22,25,29,32,35-dodecazabicyclo[35.3.0]tetracontan-12-yl]propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C63H110N14O18
+CH$EXACT_MASS: 1350.812253
+CH$SMILES: O=C(N[C@H](C(N[C@@H](C(N[C@@H](C(N[C@@H](C(N[C@H](C(N([C@@H](C(N[C@@H](C(N[C@H](C(N1CCC[C@H]1C(N[C@@H]2CC(C)C)=O)=O)[C@@H](O)C)=O)C(C(N)=O)O)=O)[C@@H](CC)C)C)=O)CCC(N)=O)=O)CC(C)C)=O)C)=O)C(C(C)C)O)=O)C(C)C)CC(CCCCC)NC([C@@H](NC2=O)[C@H](O)C)=O
+CH$IUPAC: InChI=1S/C63H110N14O18/c1-16-18-19-21-37-28-43(81)71-44(31(7)8)57(89)74-47(50(82)32(9)10)59(91)66-34(12)53(85)69-39(26-29(3)4)54(86)68-38(23-24-42(64)80)62(94)76(15)49(33(11)17-2)61(93)75-48(51(83)52(65)84)60(92)73-46(36(14)79)63(95)77-25-20-22-41(77)56(88)70-40(27-30(5)6)55(87)72-45(35(13)78)58(90)67-37/h29-41,44-51,78-79,82-83H,16-28H2,1-15H3,(H2,64,80)(H2,65,84)(H,66,91)(H,67,90)(H,68,86)(H,69,85)(H,70,88)(H,71,81)(H,72,87)(H,73,92)(H,74,89)(H,75,93)/t33-,34-,35-,36+,37?,38+,39-,40-,41+,44+,45+,46+,47-,48-,49-,50?,51?/m1/s1
+CH$LINK: PUBCHEM CID:155802207
+CH$LINK: INCHIKEY MXJFACMBSIQIJG-RAVCUMSJSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 93-1395
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.529 min
+MS$FOCUSED_ION: BASE_PEAK 676.4143
+MS$FOCUSED_ION: PRECURSOR_M/Z 1351.8195
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 1452038.94
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0udi-0970000000-67d29a653ff47445974d
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  100.112 C6H14N+ 1 100.1121 -0.39
+  101.0709 C4H9N2O+ 1 101.0709 -0.31
+  102.0913 C5H12NO+ 1 102.0913 -0.75
+  114.0912 C6H12NO+ 1 114.0913 -1.52
+  119.0814 C4H11N2O2+ 1 119.0815 -0.69
+  124.1118 C8H14N+ 1 124.1121 -2.03
+  125.0959 C8H13O+ 1 125.0961 -1.81
+  128.107 C7H14NO+ 1 128.107 -0.13
+  143.0815 C6H11N2O2+ 1 143.0815 0.28
+  156.1022 C8H14NO2+ 1 156.1019 1.77
+  156.138 C9H18NO+ 1 156.1383 -2.09
+  157.1336 C8H17N2O+ 1 157.1335 0.61
+  169.1339 C9H17N2O+ 1 169.1335 1.88
+  173.1283 C8H17N2O2+ 1 173.1285 -0.96
+  183.113 C9H15N2O2+ 1 183.1128 1.31
+  183.1492 C10H19N2O+ 1 183.1492 0.09
+  185.1284 C9H17N2O2+ 1 185.1285 -0.14
+  187.1441 C9H19N2O2+ 1 187.1441 -0.16
+  194.1537 C12H20NO+ 1 194.1539 -1.36
+  195.1131 C10H15N2O2+ 1 195.1128 1.47
+  195.1493 C11H19N2O+ 1 195.1492 0.33
+  196.1699 C12H22NO+ 1 196.1696 1.67
+  198.1484 C11H20NO2+ 2 198.1489 -2.1
+  199.1072 C9H15N2O3+ 2 199.1077 -2.62
+  201.1234 C9H17N2O3+ 1 201.1234 0.12
+  201.1598 C10H21N2O2+ 1 201.1598 0.46
+  210.1597 C11H20N3O+ 2 210.1601 -1.73
+  211.1441 C11H19N2O2+ 1 211.1441 0.22
+  213.1965 C12H25N2O+ 1 213.1961 1.67
+  214.1549 C10H20N3O2+ 1 214.155 -0.47
+  215.1387 C10H19N2O3+ 2 215.139 -1.4
+  221.128 C12H17N2O2+ 2 221.1285 -2.27
+  223.1078 C11H15N2O3+ 1 223.1077 0.58
+  224.1646 C13H22NO2+ 1 224.1645 0.35
+  224.201 C14H26NO+ 2 224.2009 0.58
+  225.1234 C11H17N2O3+ 1 225.1234 0.09
+  228.1706 C11H22N3O2+ 1 228.1707 -0.32
+  238.155 C12H20N3O2+ 1 238.155 0.14
+  239.1387 C12H19N2O3+ 2 239.139 -1.21
+  239.1761 H31O13+ 4 239.1759 0.82
+  242.1499 C11H20N3O3+ 1 242.1499 -0.1
+  243.1701 C12H23N2O3+ 2 243.1703 -0.96
+  253.1543 C13H21N2O3+ 3 253.1547 -1.59
+  256.1655 C12H22N3O3+ 1 256.1656 -0.18
+  258.145 C11H20N3O4+ 3 258.1448 0.73
+  271.1648 C13H23N2O4+ 3 271.1652 -1.46
+  282.1811 C14H24N3O3+ 4 282.1812 -0.51
+  311.2064 C13H25N7O2+ 6 311.2064 -0.06
+  312.1923 C2H34NO15+ 8 312.1923 0.04
+PK$NUM_PEAK: 49
+PK$PEAK: m/z int. rel.int.
+  100.112 897892.4 999
+  101.0709 134303.3 149
+  102.0913 72641.2 80
+  114.0912 19622.3 21
+  119.0814 32927.3 36
+  124.1118 24642.8 27
+  125.0959 38373.9 42
+  128.107 106578.2 118
+  143.0815 57974.5 64
+  156.1022 39826.9 44
+  156.138 33413.1 37
+  157.1336 80837 89
+  169.1339 15873.1 17
+  173.1283 112611 125
+  183.113 23384.1 26
+  183.1492 316417.3 352
+  185.1284 58905.4 65
+  187.1441 37721.7 41
+  194.1537 21277 23
+  195.1131 14904.8 16
+  195.1493 9706.8 10
+  196.1699 56826.3 63
+  198.1484 16882.7 18
+  199.1072 19933.7 22
+  201.1234 265533.5 295
+  201.1598 90004.2 100
+  210.1597 36264.7 40
+  211.1441 399820.2 444
+  213.1965 39918.3 44
+  214.1549 26545.6 29
+  215.1387 33768.8 37
+  221.128 17003 18
+  223.1078 29039.5 32
+  224.1646 37562.9 41
+  224.201 25499 28
+  225.1234 33826.9 37
+  228.1706 18034.3 20
+  238.155 39880.1 44
+  239.1387 139519 155
+  239.1761 29997.8 33
+  242.1499 78427.6 87
+  243.1701 286189.1 318
+  253.1543 86948.4 96
+  256.1655 16934.8 18
+  258.145 23484.2 26
+  271.1648 43374.4 48
+  282.1811 56999.9 63
+  311.2064 27399.4 30
+  312.1923 91333.3 101
+//
diff --git a/Eawag/MSBNK-MLU-ED019106.txt b/Eawag/MSBNK-MLU-ED019106.txt
new file mode 100644
index 0000000000..a0a53eb6ae
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED019106.txt
@@ -0,0 +1,146 @@
+ACCESSION: MSBNK-MLU-ED019106
+RECORD_TITLE: Scytocyclamide C; LC-ESI-QFT; MS2; CE: 50%; R=17500; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Enke [dtc], H. Enke [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 191
+CH$NAME: Scytocyclamide C
+CH$NAME: 3-[(3S,6R,9R,12S,15R,18R,21R,24S,31S,34R,37S)-6-(2-amino-1-hydroxy-2-oxoethyl)-9-[(2R)-butan-2-yl]-31-[(1R)-1-hydroxyethyl]-3-[(1S)-1-hydroxyethyl]-21-(1-hydroxy-2-methylpropyl)-10,18-dimethyl-15,34-bis(2-methylpropyl)-2,5,8,11,14,17,20,23,26,30,33,36-dodecaoxo-28-pentyl-24-propan-2-yl-1,4,7,10,13,16,19,22,25,29,32,35-dodecazabicyclo[35.3.0]tetracontan-12-yl]propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C63H110N14O18
+CH$EXACT_MASS: 1350.812253
+CH$SMILES: O=C(N[C@H](C(N[C@@H](C(N[C@@H](C(N[C@@H](C(N[C@H](C(N([C@@H](C(N[C@@H](C(N[C@H](C(N1CCC[C@H]1C(N[C@@H]2CC(C)C)=O)=O)[C@@H](O)C)=O)C(C(N)=O)O)=O)[C@@H](CC)C)C)=O)CCC(N)=O)=O)CC(C)C)=O)C)=O)C(C(C)C)O)=O)C(C)C)CC(CCCCC)NC([C@@H](NC2=O)[C@H](O)C)=O
+CH$IUPAC: InChI=1S/C63H110N14O18/c1-16-18-19-21-37-28-43(81)71-44(31(7)8)57(89)74-47(50(82)32(9)10)59(91)66-34(12)53(85)69-39(26-29(3)4)54(86)68-38(23-24-42(64)80)62(94)76(15)49(33(11)17-2)61(93)75-48(51(83)52(65)84)60(92)73-46(36(14)79)63(95)77-25-20-22-41(77)56(88)70-40(27-30(5)6)55(87)72-45(35(13)78)58(90)67-37/h29-41,44-51,78-79,82-83H,16-28H2,1-15H3,(H2,64,80)(H2,65,84)(H,66,91)(H,67,90)(H,68,86)(H,69,85)(H,70,88)(H,71,81)(H,72,87)(H,73,92)(H,74,89)(H,75,93)/t33-,34-,35-,36+,37?,38+,39-,40-,41+,44+,45+,46+,47-,48-,49-,50?,51?/m1/s1
+CH$LINK: PUBCHEM CID:155802207
+CH$LINK: INCHIKEY MXJFACMBSIQIJG-RAVCUMSJSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 93-1395
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.529 min
+MS$FOCUSED_ION: BASE_PEAK 676.4143
+MS$FOCUSED_ION: PRECURSOR_M/Z 1351.8195
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 1452038.94
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0udi-0930000000-b1f963498afd3e583f3e
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  100.1121 C6H14N+ 1 100.1121 -0.09
+  101.0709 C4H9N2O+ 1 101.0709 -0.01
+  102.0912 C5H12NO+ 1 102.0913 -0.89
+  112.0758 C6H10NO+ 1 112.0757 0.67
+  114.0911 C6H12NO+ 1 114.0913 -1.79
+  119.0816 C4H11N2O2+ 1 119.0815 0.85
+  124.1119 C8H14N+ 1 124.1121 -1.17
+  125.0962 C8H13O+ 1 125.0961 0.81
+  126.091 C7H12NO+ 1 126.0913 -2.9
+  128.1069 C7H14NO+ 1 128.107 -0.37
+  131.118 C6H15N2O+ 1 131.1179 0.87
+  138.1278 C9H16N+ 1 138.1277 0.44
+  140.0707 C7H10NO2+ 1 140.0706 0.69
+  140.143 C9H18N+ 1 140.1434 -3.03
+  142.0861 C7H12NO2+ 1 142.0863 -0.93
+  142.1229 C8H16NO+ 1 142.1226 1.48
+  143.0813 C6H11N2O2+ 1 143.0815 -1.32
+  151.05 C7H7N2O2+ 1 151.0502 -1.39
+  152.1074 C9H14NO+ 1 152.107 2.49
+  153.102 C8H13N2O+ 1 153.1022 -1.65
+  155.1179 C8H15N2O+ 1 155.1179 -0.06
+  156.1385 C9H18NO+ 1 156.1383 1.62
+  157.1336 C8H17N2O+ 1 157.1335 0.32
+  169.134 C9H17N2O+ 1 169.1335 2.6
+  171.113 C8H15N2O2+ 1 171.1128 1.27
+  173.1284 C8H17N2O2+ 1 173.1285 -0.43
+  179.0454 C8H7N2O3+ 1 179.0451 1.61
+  181.0975 C9H13N2O2+ 1 181.0972 1.77
+  183.1134 C9H15N2O2+ 1 183.1128 3.14
+  183.1492 C10H19N2O+ 1 183.1492 -0.07
+  185.1284 C9H17N2O2+ 1 185.1285 -0.55
+  187.1444 C9H19N2O2+ 1 187.1441 1.56
+  194.1543 C12H20NO+ 1 194.1539 1.79
+  195.1129 C10H15N2O2+ 1 195.1128 0.69
+  196.1698 C12H22NO+ 1 196.1696 1.28
+  198.1487 C11H20NO2+ 1 198.1489 -0.87
+  201.1234 C9H17N2O3+ 1 201.1234 0.12
+  201.16 C10H21N2O2+ 1 201.1598 0.99
+  209.1291 C11H17N2O2+ 1 209.1285 3
+  210.1595 C11H20N3O+ 2 210.1601 -2.67
+  211.1441 C11H19N2O2+ 1 211.1441 0.07
+  215.1394 C10H19N2O3+ 1 215.139 1.86
+  223.1083 C11H15N2O3+ 1 223.1077 2.42
+  224.1647 C13H22NO2+ 1 224.1645 0.76
+  225.16 C12H21N2O2+ 1 225.1598 0.93
+  239.1396 C12H19N2O3+ 1 239.139 2.55
+  239.1759 H31O13+ 2 239.1759 -0.14
+  243.1707 C12H23N2O3+ 1 243.1703 1.48
+  253.1544 C13H21N2O3+ 3 253.1547 -1.05
+  271.1658 H31O15+ 5 271.1657 0.14
+  294.1825 C2H32NO14+ 7 294.1817 2.74
+  312.1916 C15H26N3O4+ 7 312.1918 -0.66
+PK$NUM_PEAK: 52
+PK$PEAK: m/z int. rel.int.
+  100.1121 1116447.6 999
+  101.0709 154589.3 138
+  102.0912 113424.1 101
+  112.0758 38720.7 34
+  114.0911 42884 38
+  119.0816 21778.6 19
+  124.1119 59598.1 53
+  125.0962 122962.9 110
+  126.091 48176.8 43
+  128.1069 111005.2 99
+  131.118 39814.9 35
+  138.1278 25210.9 22
+  140.0707 32342.9 28
+  140.143 27048.8 24
+  142.0861 19499.1 17
+  142.1229 32160.7 28
+  143.0813 75291.3 67
+  151.05 19727.4 17
+  152.1074 27291.2 24
+  153.102 20988.9 18
+  155.1179 37677.8 33
+  156.1385 35997.4 32
+  157.1336 80017.2 71
+  169.134 19743.4 17
+  171.113 31527.4 28
+  173.1284 217759.2 194
+  179.0454 32449.6 29
+  181.0975 24975.4 22
+  183.1134 31423.8 28
+  183.1492 467918.6 418
+  185.1284 37042.4 33
+  187.1444 29912.6 26
+  194.1543 39334.9 35
+  195.1129 25259.9 22
+  196.1698 75743.7 67
+  198.1487 47189.5 42
+  201.1234 149557.7 133
+  201.16 170306.8 152
+  209.1291 30607.8 27
+  210.1595 39769.9 35
+  211.1441 323374.4 289
+  215.1394 36371.2 32
+  223.1083 19845.7 17
+  224.1647 16269 14
+  225.16 90348.7 80
+  239.1396 47335.1 42
+  239.1759 26183.9 23
+  243.1707 163811.8 146
+  253.1544 107254 95
+  271.1658 31503.3 28
+  294.1825 31507.5 28
+  312.1916 27516.6 24
+//
diff --git a/Eawag/MSBNK-MLU-ED019107.txt b/Eawag/MSBNK-MLU-ED019107.txt
new file mode 100644
index 0000000000..ca551cfacf
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED019107.txt
@@ -0,0 +1,120 @@
+ACCESSION: MSBNK-MLU-ED019107
+RECORD_TITLE: Scytocyclamide C; LC-ESI-QFT; MS2; CE: 60%; R=17500; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Enke [dtc], H. Enke [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 191
+CH$NAME: Scytocyclamide C
+CH$NAME: 3-[(3S,6R,9R,12S,15R,18R,21R,24S,31S,34R,37S)-6-(2-amino-1-hydroxy-2-oxoethyl)-9-[(2R)-butan-2-yl]-31-[(1R)-1-hydroxyethyl]-3-[(1S)-1-hydroxyethyl]-21-(1-hydroxy-2-methylpropyl)-10,18-dimethyl-15,34-bis(2-methylpropyl)-2,5,8,11,14,17,20,23,26,30,33,36-dodecaoxo-28-pentyl-24-propan-2-yl-1,4,7,10,13,16,19,22,25,29,32,35-dodecazabicyclo[35.3.0]tetracontan-12-yl]propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C63H110N14O18
+CH$EXACT_MASS: 1350.812253
+CH$SMILES: O=C(N[C@H](C(N[C@@H](C(N[C@@H](C(N[C@@H](C(N[C@H](C(N([C@@H](C(N[C@@H](C(N[C@H](C(N1CCC[C@H]1C(N[C@@H]2CC(C)C)=O)=O)[C@@H](O)C)=O)C(C(N)=O)O)=O)[C@@H](CC)C)C)=O)CCC(N)=O)=O)CC(C)C)=O)C)=O)C(C(C)C)O)=O)C(C)C)CC(CCCCC)NC([C@@H](NC2=O)[C@H](O)C)=O
+CH$IUPAC: InChI=1S/C63H110N14O18/c1-16-18-19-21-37-28-43(81)71-44(31(7)8)57(89)74-47(50(82)32(9)10)59(91)66-34(12)53(85)69-39(26-29(3)4)54(86)68-38(23-24-42(64)80)62(94)76(15)49(33(11)17-2)61(93)75-48(51(83)52(65)84)60(92)73-46(36(14)79)63(95)77-25-20-22-41(77)56(88)70-40(27-30(5)6)55(87)72-45(35(13)78)58(90)67-37/h29-41,44-51,78-79,82-83H,16-28H2,1-15H3,(H2,64,80)(H2,65,84)(H,66,91)(H,67,90)(H,68,86)(H,69,85)(H,70,88)(H,71,81)(H,72,87)(H,73,92)(H,74,89)(H,75,93)/t33-,34-,35-,36+,37?,38+,39-,40-,41+,44+,45+,46+,47-,48-,49-,50?,51?/m1/s1
+CH$LINK: PUBCHEM CID:155802207
+CH$LINK: INCHIKEY MXJFACMBSIQIJG-RAVCUMSJSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 93-1395
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.529 min
+MS$FOCUSED_ION: BASE_PEAK 676.4143
+MS$FOCUSED_ION: PRECURSOR_M/Z 1351.8195
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 1452038.94
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0udi-0910000000-8115c30673723855bc88
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  96.0809 C6H10N+ 1 96.0808 0.82
+  97.101 C7H13+ 1 97.1012 -1.97
+  98.0602 C5H8NO+ 1 98.06 1.25
+  98.0963 C6H12N+ 1 98.0964 -1.41
+  100.1121 C6H14N+ 1 100.1121 0.29
+  101.071 C4H9N2O+ 1 101.0709 0.74
+  102.0913 C5H12NO+ 1 102.0913 -0.6
+  110.0965 C7H12N+ 1 110.0964 1.08
+  112.0757 C6H10NO+ 1 112.0757 0.4
+  114.0914 C6H12NO+ 1 114.0913 0.76
+  124.1121 C8H14N+ 1 124.1121 0
+  125.0961 C8H13O+ 1 125.0961 0.32
+  126.0914 C7H12NO+ 1 126.0913 0.49
+  126.1279 C8H16N+ 1 126.1277 1.75
+  128.1069 C7H14NO+ 1 128.107 -0.61
+  129.0659 C5H9N2O2+ 1 129.0659 0.5
+  138.1275 C9H16N+ 1 138.1277 -1.88
+  140.0706 C7H10NO2+ 1 140.0706 0.03
+  140.1436 C9H18N+ 1 140.1434 1.43
+  141.0659 C6H9N2O2+ 1 141.0659 0.16
+  142.1226 C8H16NO+ 1 142.1226 -0.56
+  143.0816 C6H11N2O2+ 1 143.0815 0.6
+  151.0502 C7H7N2O2+ 1 151.0502 -0.18
+  152.107 C9H14NO+ 1 152.107 0.28
+  155.1179 C8H15N2O+ 1 155.1179 0.14
+  156.1378 C9H18NO+ 1 156.1383 -3.26
+  157.1331 C8H17N2O+ 1 157.1335 -2.98
+  159.0765 C6H11N2O3+ 1 159.0764 0.22
+  169.1341 C9H17N2O+ 1 169.1335 3.32
+  173.1285 C8H17N2O2+ 1 173.1285 0.01
+  183.1492 C10H19N2O+ 1 183.1492 0.09
+  198.149 C11H20NO2+ 1 198.1489 0.6
+  201.1235 C9H17N2O3+ 1 201.1234 0.58
+  201.1598 C10H21N2O2+ 1 201.1598 0
+  211.1442 C11H19N2O2+ 1 211.1441 0.65
+  212.1045 C11H16O4+ 1 212.1043 0.73
+  225.1602 C12H21N2O2+ 1 225.1598 2.08
+  243.1695 C12H23N2O3+ 2 243.1703 -3.22
+  253.1548 C13H21N2O3+ 2 253.1547 0.64
+PK$NUM_PEAK: 39
+PK$PEAK: m/z int. rel.int.
+  96.0809 14896.2 20
+  97.101 11718.6 15
+  98.0602 12444.3 16
+  98.0963 11353.9 15
+  100.1121 738810.4 999
+  101.071 77472.6 104
+  102.0913 116634.8 157
+  110.0965 10896 14
+  112.0757 42425 57
+  114.0914 50078.7 67
+  124.1121 42498.1 57
+  125.0961 168920.3 228
+  126.0914 37684.7 50
+  126.1279 21279.2 28
+  128.1069 63774.5 86
+  129.0659 14431.1 19
+  138.1275 32839.2 44
+  140.0706 29590.8 40
+  140.1436 23045.2 31
+  141.0659 23991.1 32
+  142.1226 30040.9 40
+  143.0816 33449.9 45
+  151.0502 29375.5 39
+  152.107 33977.8 45
+  155.1179 25779.4 34
+  156.1378 38688.9 52
+  157.1331 40233.8 54
+  159.0765 28871.1 39
+  169.1341 11450.6 15
+  173.1285 136189.8 184
+  183.1492 218770.3 295
+  198.149 23879.7 32
+  201.1235 22831.7 30
+  201.1598 91705.3 124
+  211.1442 131747.1 178
+  212.1045 11897 16
+  225.1602 29324.6 39
+  243.1695 17416.3 23
+  253.1548 31236.5 42
+//
diff --git a/Eawag/MSBNK-MLU-ED019108.txt b/Eawag/MSBNK-MLU-ED019108.txt
new file mode 100644
index 0000000000..d4c149cc74
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED019108.txt
@@ -0,0 +1,88 @@
+ACCESSION: MSBNK-MLU-ED019108
+RECORD_TITLE: Scytocyclamide C; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Enke [dtc], H. Enke [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 191
+CH$NAME: Scytocyclamide C
+CH$NAME: 3-[(3S,6R,9R,12S,15R,18R,21R,24S,31S,34R,37S)-6-(2-amino-1-hydroxy-2-oxoethyl)-9-[(2R)-butan-2-yl]-31-[(1R)-1-hydroxyethyl]-3-[(1S)-1-hydroxyethyl]-21-(1-hydroxy-2-methylpropyl)-10,18-dimethyl-15,34-bis(2-methylpropyl)-2,5,8,11,14,17,20,23,26,30,33,36-dodecaoxo-28-pentyl-24-propan-2-yl-1,4,7,10,13,16,19,22,25,29,32,35-dodecazabicyclo[35.3.0]tetracontan-12-yl]propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C63H110N14O18
+CH$EXACT_MASS: 1350.812253
+CH$SMILES: O=C(N[C@H](C(N[C@@H](C(N[C@@H](C(N[C@@H](C(N[C@H](C(N([C@@H](C(N[C@@H](C(N[C@H](C(N1CCC[C@H]1C(N[C@@H]2CC(C)C)=O)=O)[C@@H](O)C)=O)C(C(N)=O)O)=O)[C@@H](CC)C)C)=O)CCC(N)=O)=O)CC(C)C)=O)C)=O)C(C(C)C)O)=O)C(C)C)CC(CCCCC)NC([C@@H](NC2=O)[C@H](O)C)=O
+CH$IUPAC: InChI=1S/C63H110N14O18/c1-16-18-19-21-37-28-43(81)71-44(31(7)8)57(89)74-47(50(82)32(9)10)59(91)66-34(12)53(85)69-39(26-29(3)4)54(86)68-38(23-24-42(64)80)62(94)76(15)49(33(11)17-2)61(93)75-48(51(83)52(65)84)60(92)73-46(36(14)79)63(95)77-25-20-22-41(77)56(88)70-40(27-30(5)6)55(87)72-45(35(13)78)58(90)67-37/h29-41,44-51,78-79,82-83H,16-28H2,1-15H3,(H2,64,80)(H2,65,84)(H,66,91)(H,67,90)(H,68,86)(H,69,85)(H,70,88)(H,71,81)(H,72,87)(H,73,92)(H,74,89)(H,75,93)/t33-,34-,35-,36+,37?,38+,39-,40-,41+,44+,45+,46+,47-,48-,49-,50?,51?/m1/s1
+CH$LINK: PUBCHEM CID:155802207
+CH$LINK: INCHIKEY MXJFACMBSIQIJG-RAVCUMSJSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 93-1395
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.529 min
+MS$FOCUSED_ION: BASE_PEAK 676.4143
+MS$FOCUSED_ION: PRECURSOR_M/Z 1351.8195
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 1452038.94
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0udi-0900000000-82acb030e1bff0bc6a9d
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  96.0444 C5H6NO+ 1 96.0444 -0.05
+  98.06 C5H8NO+ 1 98.06 -0.08
+  100.1121 C6H14N+ 1 100.1121 0.52
+  102.0913 C5H12NO+ 1 102.0913 -0.07
+  112.0755 C6H10NO+ 1 112.0757 -1.92
+  114.0913 C6H12NO+ 1 114.0913 -0.11
+  124.1119 C8H14N+ 1 124.1121 -1.1
+  125.0962 C8H13O+ 1 125.0961 0.81
+  126.0913 C7H12NO+ 1 126.0913 -0.12
+  126.1275 C8H16N+ 1 126.1277 -1.64
+  128.1066 C7H14NO+ 1 128.107 -3.35
+  138.1272 C9H16N+ 1 138.1277 -3.76
+  140.0706 C7H10NO2+ 1 140.0706 -0.08
+  141.0654 C6H9N2O2+ 1 141.0659 -3.52
+  142.1226 C8H16NO+ 1 142.1226 -0.02
+  143.0814 C6H11N2O2+ 1 143.0815 -0.47
+  151.0504 C7H7N2O2+ 1 151.0502 1.03
+  155.1176 C8H15N2O+ 1 155.1179 -2.03
+  156.138 C9H18NO+ 1 156.1383 -2.09
+  173.1289 C8H17N2O2+ 1 173.1285 2.65
+  181.0968 C9H13N2O2+ 1 181.0972 -1.77
+  183.1493 C10H19N2O+ 1 183.1492 0.76
+  201.16 C10H21N2O2+ 1 201.1598 1.29
+PK$NUM_PEAK: 23
+PK$PEAK: m/z int. rel.int.
+  96.0444 17882.8 32
+  98.06 18478.2 33
+  100.1121 552996.3 999
+  102.0913 121635.5 219
+  112.0755 44445 80
+  114.0913 42815.8 77
+  124.1119 38242.1 69
+  125.0962 146142.9 264
+  126.0913 34314.8 61
+  126.1275 29883.2 53
+  128.1066 38462.9 69
+  138.1272 39745 71
+  140.0706 20410.9 36
+  141.0654 9887.9 17
+  142.1226 21312.9 38
+  143.0814 25286 45
+  151.0504 47056.5 85
+  155.1176 15221.8 27
+  156.138 21496.5 38
+  173.1289 54738.8 98
+  181.0968 14298.7 25
+  183.1493 82837.1 149
+  201.16 46126.9 83
+//
diff --git a/Eawag/MSBNK-MLU-ED019109.txt b/Eawag/MSBNK-MLU-ED019109.txt
new file mode 100644
index 0000000000..f0443b9f75
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED019109.txt
@@ -0,0 +1,80 @@
+ACCESSION: MSBNK-MLU-ED019109
+RECORD_TITLE: Scytocyclamide C; LC-ESI-QFT; MS2; CE: 80%; R=17500; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Enke [dtc], H. Enke [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 191
+CH$NAME: Scytocyclamide C
+CH$NAME: 3-[(3S,6R,9R,12S,15R,18R,21R,24S,31S,34R,37S)-6-(2-amino-1-hydroxy-2-oxoethyl)-9-[(2R)-butan-2-yl]-31-[(1R)-1-hydroxyethyl]-3-[(1S)-1-hydroxyethyl]-21-(1-hydroxy-2-methylpropyl)-10,18-dimethyl-15,34-bis(2-methylpropyl)-2,5,8,11,14,17,20,23,26,30,33,36-dodecaoxo-28-pentyl-24-propan-2-yl-1,4,7,10,13,16,19,22,25,29,32,35-dodecazabicyclo[35.3.0]tetracontan-12-yl]propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C63H110N14O18
+CH$EXACT_MASS: 1350.812253
+CH$SMILES: O=C(N[C@H](C(N[C@@H](C(N[C@@H](C(N[C@@H](C(N[C@H](C(N([C@@H](C(N[C@@H](C(N[C@H](C(N1CCC[C@H]1C(N[C@@H]2CC(C)C)=O)=O)[C@@H](O)C)=O)C(C(N)=O)O)=O)[C@@H](CC)C)C)=O)CCC(N)=O)=O)CC(C)C)=O)C)=O)C(C(C)C)O)=O)C(C)C)CC(CCCCC)NC([C@@H](NC2=O)[C@H](O)C)=O
+CH$IUPAC: InChI=1S/C63H110N14O18/c1-16-18-19-21-37-28-43(81)71-44(31(7)8)57(89)74-47(50(82)32(9)10)59(91)66-34(12)53(85)69-39(26-29(3)4)54(86)68-38(23-24-42(64)80)62(94)76(15)49(33(11)17-2)61(93)75-48(51(83)52(65)84)60(92)73-46(36(14)79)63(95)77-25-20-22-41(77)56(88)70-40(27-30(5)6)55(87)72-45(35(13)78)58(90)67-37/h29-41,44-51,78-79,82-83H,16-28H2,1-15H3,(H2,64,80)(H2,65,84)(H,66,91)(H,67,90)(H,68,86)(H,69,85)(H,70,88)(H,71,81)(H,72,87)(H,73,92)(H,74,89)(H,75,93)/t33-,34-,35-,36+,37?,38+,39-,40-,41+,44+,45+,46+,47-,48-,49-,50?,51?/m1/s1
+CH$LINK: PUBCHEM CID:155802207
+CH$LINK: INCHIKEY MXJFACMBSIQIJG-RAVCUMSJSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 93-1395
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.529 min
+MS$FOCUSED_ION: BASE_PEAK 676.4143
+MS$FOCUSED_ION: PRECURSOR_M/Z 1351.8195
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 1452038.94
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0udi-0900000000-5a7f45962cc5677173e6
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  96.0443 C5H6NO+ 1 96.0444 -0.45
+  98.0601 C5H8NO+ 1 98.06 0.47
+  98.0966 C6H12N+ 1 98.0964 1.71
+  100.1121 C6H14N+ 1 100.1121 0.14
+  102.0914 C5H12NO+ 1 102.0913 0.97
+  112.0758 C6H10NO+ 1 112.0757 1.35
+  112.1119 C7H14N+ 1 112.1121 -1.31
+  114.0915 C6H12NO+ 1 114.0913 1.56
+  124.1121 C8H14N+ 1 124.1121 0.31
+  125.0963 C8H13O+ 1 125.0961 1.48
+  126.0916 C7H12NO+ 1 126.0913 2.06
+  128.1069 C7H14NO+ 1 128.107 -0.73
+  138.1276 C9H16N+ 1 138.1277 -1
+  142.123 C8H16NO+ 1 142.1226 2.88
+  151.0501 C7H7N2O2+ 1 151.0502 -0.58
+  152.1072 C9H14NO+ 1 152.107 1.69
+  156.1381 C9H18NO+ 1 156.1383 -0.92
+  173.1287 C8H17N2O2+ 1 173.1285 1.24
+  201.1599 C10H21N2O2+ 1 201.1598 0.92
+PK$NUM_PEAK: 19
+PK$PEAK: m/z int. rel.int.
+  96.0443 25159.3 47
+  98.0601 17028.2 31
+  98.0966 18516.4 34
+  100.1121 532324.9 999
+  102.0914 119560.7 224
+  112.0758 40205.5 75
+  112.1119 25432.8 47
+  114.0915 36461.4 68
+  124.1121 32939.4 61
+  125.0963 114805 215
+  126.0916 25279.1 47
+  128.1069 27357.8 51
+  138.1276 26048 48
+  142.123 13022.2 24
+  151.0501 41276.1 77
+  152.1072 24955.2 46
+  156.1381 19767.6 37
+  173.1287 37842.2 71
+  201.1599 31214.5 58
+//
diff --git a/Eawag/MSBNK-MLU-ED019151.txt b/Eawag/MSBNK-MLU-ED019151.txt
new file mode 100644
index 0000000000..484f3f5f86
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED019151.txt
@@ -0,0 +1,44 @@
+ACCESSION: MSBNK-MLU-ED019151
+RECORD_TITLE: Scytocyclamide C; LC-ESI-QFT; MS2; CE: 15%; R=17500; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Enke [dtc], H. Enke [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 191
+CH$NAME: Scytocyclamide C
+CH$NAME: 3-[(3S,6R,9R,12S,15R,18R,21R,24S,31S,34R,37S)-6-(2-amino-1-hydroxy-2-oxoethyl)-9-[(2R)-butan-2-yl]-31-[(1R)-1-hydroxyethyl]-3-[(1S)-1-hydroxyethyl]-21-(1-hydroxy-2-methylpropyl)-10,18-dimethyl-15,34-bis(2-methylpropyl)-2,5,8,11,14,17,20,23,26,30,33,36-dodecaoxo-28-pentyl-24-propan-2-yl-1,4,7,10,13,16,19,22,25,29,32,35-dodecazabicyclo[35.3.0]tetracontan-12-yl]propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C63H110N14O18
+CH$EXACT_MASS: 1350.812253
+CH$SMILES: O=C(N[C@H](C(N[C@@H](C(N[C@@H](C(N[C@@H](C(N[C@H](C(N([C@@H](C(N[C@@H](C(N[C@H](C(N1CCC[C@H]1C(N[C@@H]2CC(C)C)=O)=O)[C@@H](O)C)=O)C(C(N)=O)O)=O)[C@@H](CC)C)C)=O)CCC(N)=O)=O)CC(C)C)=O)C)=O)C(C(C)C)O)=O)C(C)C)CC(CCCCC)NC([C@@H](NC2=O)[C@H](O)C)=O
+CH$IUPAC: InChI=1S/C63H110N14O18/c1-16-18-19-21-37-28-43(81)71-44(31(7)8)57(89)74-47(50(82)32(9)10)59(91)66-34(12)53(85)69-39(26-29(3)4)54(86)68-38(23-24-42(64)80)62(94)76(15)49(33(11)17-2)61(93)75-48(51(83)52(65)84)60(92)73-46(36(14)79)63(95)77-25-20-22-41(77)56(88)70-40(27-30(5)6)55(87)72-45(35(13)78)58(90)67-37/h29-41,44-51,78-79,82-83H,16-28H2,1-15H3,(H2,64,80)(H2,65,84)(H,66,91)(H,67,90)(H,68,86)(H,69,85)(H,70,88)(H,71,81)(H,72,87)(H,73,92)(H,74,89)(H,75,93)/t33-,34-,35-,36+,37?,38+,39-,40-,41+,44+,45+,46+,47-,48-,49-,50?,51?/m1/s1
+CH$LINK: PUBCHEM CID:155802207
+CH$LINK: INCHIKEY MXJFACMBSIQIJG-RAVCUMSJSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 93-1395
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.552 min
+MS$FOCUSED_ION: BASE_PEAK 520.91
+MS$FOCUSED_ION: PRECURSOR_M/Z 1349.805
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 717278.19
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-014i-0900000000-26e8955ceb6a05d09dca
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  1116.6787 C53H90N13O13- 14 1116.6787 0
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  1116.6787 284002 999
+//
diff --git a/Eawag/MSBNK-MLU-ED019152.txt b/Eawag/MSBNK-MLU-ED019152.txt
new file mode 100644
index 0000000000..4491b4eeac
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED019152.txt
@@ -0,0 +1,44 @@
+ACCESSION: MSBNK-MLU-ED019152
+RECORD_TITLE: Scytocyclamide C; LC-ESI-QFT; MS2; CE: 20%; R=17500; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Enke [dtc], H. Enke [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 191
+CH$NAME: Scytocyclamide C
+CH$NAME: 3-[(3S,6R,9R,12S,15R,18R,21R,24S,31S,34R,37S)-6-(2-amino-1-hydroxy-2-oxoethyl)-9-[(2R)-butan-2-yl]-31-[(1R)-1-hydroxyethyl]-3-[(1S)-1-hydroxyethyl]-21-(1-hydroxy-2-methylpropyl)-10,18-dimethyl-15,34-bis(2-methylpropyl)-2,5,8,11,14,17,20,23,26,30,33,36-dodecaoxo-28-pentyl-24-propan-2-yl-1,4,7,10,13,16,19,22,25,29,32,35-dodecazabicyclo[35.3.0]tetracontan-12-yl]propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C63H110N14O18
+CH$EXACT_MASS: 1350.812253
+CH$SMILES: O=C(N[C@H](C(N[C@@H](C(N[C@@H](C(N[C@@H](C(N[C@H](C(N([C@@H](C(N[C@@H](C(N[C@H](C(N1CCC[C@H]1C(N[C@@H]2CC(C)C)=O)=O)[C@@H](O)C)=O)C(C(N)=O)O)=O)[C@@H](CC)C)C)=O)CCC(N)=O)=O)CC(C)C)=O)C)=O)C(C(C)C)O)=O)C(C)C)CC(CCCCC)NC([C@@H](NC2=O)[C@H](O)C)=O
+CH$IUPAC: InChI=1S/C63H110N14O18/c1-16-18-19-21-37-28-43(81)71-44(31(7)8)57(89)74-47(50(82)32(9)10)59(91)66-34(12)53(85)69-39(26-29(3)4)54(86)68-38(23-24-42(64)80)62(94)76(15)49(33(11)17-2)61(93)75-48(51(83)52(65)84)60(92)73-46(36(14)79)63(95)77-25-20-22-41(77)56(88)70-40(27-30(5)6)55(87)72-45(35(13)78)58(90)67-37/h29-41,44-51,78-79,82-83H,16-28H2,1-15H3,(H2,64,80)(H2,65,84)(H,66,91)(H,67,90)(H,68,86)(H,69,85)(H,70,88)(H,71,81)(H,72,87)(H,73,92)(H,74,89)(H,75,93)/t33-,34-,35-,36+,37?,38+,39-,40-,41+,44+,45+,46+,47-,48-,49-,50?,51?/m1/s1
+CH$LINK: PUBCHEM CID:155802207
+CH$LINK: INCHIKEY MXJFACMBSIQIJG-RAVCUMSJSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 93-1395
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.552 min
+MS$FOCUSED_ION: BASE_PEAK 520.91
+MS$FOCUSED_ION: PRECURSOR_M/Z 1349.805
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 717278.19
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-014i-0900000000-b870790038214c3453fb
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  1116.6783 C53H90N13O13- 14 1116.6787 -0.33
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  1116.6783 1401049.5 999
+//
diff --git a/Eawag/MSBNK-MLU-ED021401.txt b/Eawag/MSBNK-MLU-ED021401.txt
new file mode 100644
index 0000000000..6c28fb5f10
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED021401.txt
@@ -0,0 +1,62 @@
+ACCESSION: MSBNK-MLU-ED021401
+RECORD_TITLE: Molassamide; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], W. H. Gerwick [dtc], R. Reher [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 214
+CH$NAME: Molassamide
+CH$NAME: (2S,3R)-N-[(2S,5S,8S,11R,12S,15Z,18S,21R)-2-benzyl-15-ethylidene-21-hydroxy-5-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]-2-[[(2S)-2-(butanoylamino)propanoyl]amino]-3-hydroxybutanamide
+CH$NAME: (2S,3R)-N-((2S,5S,8S,11R,12S,18S,21R,Z)-2-benzyl-15-ethylidene-21-hydroxy-5-(4-hydroxybenzyl)-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)-2-((S)-2-butyramidopropanamido)-3-hydroxybutanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C48H66N8O13
+CH$EXACT_MASS: 962.4749342
+CH$SMILES: C/C=C(NC1=O)/C(N[C@@H]2C(N([C@@H](CC3=CC=CC=C3)C(N(C)[C@H](C(N[C@@H](C(C)C)C(O[C@H](C)[C@@H]1NC([C@H]([C@@H](C)O)NC([C@H](C)NC(CCC)=O)=O)=O)=O)=O)CC4=CC=C(O)C=C4)=O)[C@H](O)CC2)=O)=O
+CH$IUPAC: InChI=1S/C48H66N8O13/c1-9-14-36(59)49-26(5)41(61)53-39(27(6)57)44(64)54-40-28(7)69-48(68)38(25(3)4)52-43(63)34(23-30-17-19-31(58)20-18-30)55(8)47(67)35(24-29-15-12-11-13-16-29)56-37(60)22-21-33(46(56)66)51-42(62)32(10-2)50-45(40)65/h10-13,15-20,25-28,33-35,37-40,57-58,60H,9,14,21-24H2,1-8H3,(H,49,59)(H,50,65)(H,51,62)(H,52,63)(H,53,61)(H,54,64)/b32-10-/t26-,27+,28+,33-,34-,35-,37+,38-,39-,40-/m0/s1
+CH$LINK: PUBCHEM CID:45379965
+CH$LINK: INCHIKEY KXSGCAPYMUMVSH-VFYPFKDGSA-N
+CH$LINK: CHEMSPIDER 24662743
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 66-1000
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.558 min
+MS$FOCUSED_ION: BASE_PEAK 945.4719
+MS$FOCUSED_ION: PRECURSOR_M/Z 963.4822
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 229537965.38
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-006t-0000610019-b2eed550d00c139474dd
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  243.1122 C14H15N2O2+ 4 243.1128 -2.64
+  295.1657 CH25N7O10+ 4 295.1657 -0.17
+  409.2085 C19H29N4O6+ 6 409.2082 0.91
+  420.1918 C24H26N3O4+ 6 420.1918 0.09
+  503.2292 C28H31N4O5+ 7 503.2289 0.65
+  537.2705 C29H37N4O6+ 7 537.2708 -0.52
+  804.3925 C41H54N7O10+ 5 804.3927 -0.25
+  927.4613 C48H63N8O11+ 1 927.4611 0.26
+  945.4719 C48H65N8O12+ 1 945.4716 0.26
+PK$NUM_PEAK: 9
+PK$PEAK: m/z int. rel.int.
+  243.1122 1712386.4 51
+  295.1657 479351.3 14
+  409.2085 5114416 152
+  420.1918 21366486 637
+  503.2292 2418938 72
+  537.2705 2855031.8 85
+  804.3925 5374092 160
+  927.4613 1793999.9 53
+  945.4719 33480338 999
+//
diff --git a/Eawag/MSBNK-MLU-ED021402.txt b/Eawag/MSBNK-MLU-ED021402.txt
new file mode 100644
index 0000000000..faf8feaa73
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED021402.txt
@@ -0,0 +1,78 @@
+ACCESSION: MSBNK-MLU-ED021402
+RECORD_TITLE: Molassamide; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], W. H. Gerwick [dtc], R. Reher [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 214
+CH$NAME: Molassamide
+CH$NAME: (2S,3R)-N-[(2S,5S,8S,11R,12S,15Z,18S,21R)-2-benzyl-15-ethylidene-21-hydroxy-5-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]-2-[[(2S)-2-(butanoylamino)propanoyl]amino]-3-hydroxybutanamide
+CH$NAME: (2S,3R)-N-((2S,5S,8S,11R,12S,18S,21R,Z)-2-benzyl-15-ethylidene-21-hydroxy-5-(4-hydroxybenzyl)-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)-2-((S)-2-butyramidopropanamido)-3-hydroxybutanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C48H66N8O13
+CH$EXACT_MASS: 962.4749342
+CH$SMILES: C/C=C(NC1=O)/C(N[C@@H]2C(N([C@@H](CC3=CC=CC=C3)C(N(C)[C@H](C(N[C@@H](C(C)C)C(O[C@H](C)[C@@H]1NC([C@H]([C@@H](C)O)NC([C@H](C)NC(CCC)=O)=O)=O)=O)=O)CC4=CC=C(O)C=C4)=O)[C@H](O)CC2)=O)=O
+CH$IUPAC: InChI=1S/C48H66N8O13/c1-9-14-36(59)49-26(5)41(61)53-39(27(6)57)44(64)54-40-28(7)69-48(68)38(25(3)4)52-43(63)34(23-30-17-19-31(58)20-18-30)55(8)47(67)35(24-29-15-12-11-13-16-29)56-37(60)22-21-33(46(56)66)51-42(62)32(10-2)50-45(40)65/h10-13,15-20,25-28,33-35,37-40,57-58,60H,9,14,21-24H2,1-8H3,(H,49,59)(H,50,65)(H,51,62)(H,52,63)(H,53,61)(H,54,64)/b32-10-/t26-,27+,28+,33-,34-,35-,37+,38-,39-,40-/m0/s1
+CH$LINK: PUBCHEM CID:45379965
+CH$LINK: INCHIKEY KXSGCAPYMUMVSH-VFYPFKDGSA-N
+CH$LINK: CHEMSPIDER 24662743
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 66-1000
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.558 min
+MS$FOCUSED_ION: BASE_PEAK 945.4719
+MS$FOCUSED_ION: PRECURSOR_M/Z 963.4822
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 229537965.38
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00di-0130900001-5e64b32c630a2308d213
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  74.0599 C3H8NO+ 1 74.06 -1.52
+  150.0911 C9H12NO+ 1 150.0913 -1.49
+  187.1229 C12H15N2+ 1 187.123 -0.45
+  215.1174 C13H15N2O+ 3 215.1179 -2.44
+  243.1123 C14H15N2O2+ 4 243.1128 -2.2
+  243.1342 C11H19N2O4+ 2 243.1339 1.14
+  268.129 C12H18N3O4+ 2 268.1292 -0.51
+  295.1651 C15H23N2O4+ 4 295.1652 -0.42
+  308.1611 CH24N8O10+ 5 308.161 0.48
+  391.1982 C19H27N4O5+ 6 391.1976 1.52
+  409.2087 C19H29N4O6+ 6 409.2082 1.28
+  420.1919 C24H26N3O4+ 6 420.1918 0.16
+  503.2288 C28H31N4O5+ 6 503.2289 -0.14
+  537.2711 C29H37N4O6+ 7 537.2708 0.62
+  804.3926 C41H54N7O10+ 5 804.3927 -0.03
+  927.4593 C48H63N8O11+ 1 927.4611 -1.91
+  945.4718 C48H65N8O12+ 1 945.4716 0.13
+PK$NUM_PEAK: 17
+PK$PEAK: m/z int. rel.int.
+  74.0599 503152.4 16
+  150.0911 4903656 159
+  187.1229 454195.1 14
+  215.1174 1871801.2 61
+  243.1123 7437812.5 242
+  243.1342 1200879.4 39
+  268.129 1880475.9 61
+  295.1651 1553474.1 50
+  308.1611 351565.6 11
+  391.1982 883033.2 28
+  409.2087 4658454.5 151
+  420.1919 30633968 999
+  503.2288 2725353 88
+  537.2711 525381.2 17
+  804.3926 2490287.2 81
+  927.4593 615873.4 20
+  945.4718 4242355.5 138
+//
diff --git a/Eawag/MSBNK-MLU-ED021403.txt b/Eawag/MSBNK-MLU-ED021403.txt
new file mode 100644
index 0000000000..5fa1a9ff67
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED021403.txt
@@ -0,0 +1,90 @@
+ACCESSION: MSBNK-MLU-ED021403
+RECORD_TITLE: Molassamide; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], W. H. Gerwick [dtc], R. Reher [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 214
+CH$NAME: Molassamide
+CH$NAME: (2S,3R)-N-[(2S,5S,8S,11R,12S,15Z,18S,21R)-2-benzyl-15-ethylidene-21-hydroxy-5-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]-2-[[(2S)-2-(butanoylamino)propanoyl]amino]-3-hydroxybutanamide
+CH$NAME: (2S,3R)-N-((2S,5S,8S,11R,12S,18S,21R,Z)-2-benzyl-15-ethylidene-21-hydroxy-5-(4-hydroxybenzyl)-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)-2-((S)-2-butyramidopropanamido)-3-hydroxybutanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C48H66N8O13
+CH$EXACT_MASS: 962.4749342
+CH$SMILES: C/C=C(NC1=O)/C(N[C@@H]2C(N([C@@H](CC3=CC=CC=C3)C(N(C)[C@H](C(N[C@@H](C(C)C)C(O[C@H](C)[C@@H]1NC([C@H]([C@@H](C)O)NC([C@H](C)NC(CCC)=O)=O)=O)=O)=O)CC4=CC=C(O)C=C4)=O)[C@H](O)CC2)=O)=O
+CH$IUPAC: InChI=1S/C48H66N8O13/c1-9-14-36(59)49-26(5)41(61)53-39(27(6)57)44(64)54-40-28(7)69-48(68)38(25(3)4)52-43(63)34(23-30-17-19-31(58)20-18-30)55(8)47(67)35(24-29-15-12-11-13-16-29)56-37(60)22-21-33(46(56)66)51-42(62)32(10-2)50-45(40)65/h10-13,15-20,25-28,33-35,37-40,57-58,60H,9,14,21-24H2,1-8H3,(H,49,59)(H,50,65)(H,51,62)(H,52,63)(H,53,61)(H,54,64)/b32-10-/t26-,27+,28+,33-,34-,35-,37+,38-,39-,40-/m0/s1
+CH$LINK: PUBCHEM CID:45379965
+CH$LINK: INCHIKEY KXSGCAPYMUMVSH-VFYPFKDGSA-N
+CH$LINK: CHEMSPIDER 24662743
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 66-1000
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.558 min
+MS$FOCUSED_ION: BASE_PEAK 945.4719
+MS$FOCUSED_ION: PRECURSOR_M/Z 963.4822
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 229537965.38
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0fkc-0591400000-488056ad9b3719465021
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  68.0495 C4H6N+ 1 68.0495 -0.09
+  74.06 C3H8NO+ 1 74.06 0.03
+  120.0807 C8H10N+ 1 120.0808 -0.66
+  142.0859 C7H12NO2+ 1 142.0863 -2.44
+  150.0913 C9H12NO+ 1 150.0913 -0.38
+  158.0961 C11H12N+ 1 158.0964 -1.86
+  167.0816 C8H11N2O2+ 1 167.0815 0.3
+  179.0813 C9H11N2O2+ 1 179.0815 -0.9
+  187.1228 C12H15N2+ 1 187.123 -0.94
+  215.1177 C13H15N2O+ 2 215.1179 -0.88
+  224.1029 C10H14N3O3+ 1 224.103 -0.33
+  243.1123 C14H15N2O2+ 4 243.1128 -1.89
+  243.1338 C11H19N2O4+ 1 243.1339 -0.49
+  250.1183 C12H16N3O3+ 2 250.1186 -1.37
+  268.129 C12H18N3O4+ 2 268.1292 -0.86
+  277.1554 CH23N7O9+ 3 277.1552 0.78
+  295.1656 CH25N7O10+ 4 295.1657 -0.38
+  308.1283 C19H18NO3+ 4 308.1281 0.49
+  326.1496 C18H20N3O3+ 4 326.1499 -1.04
+  391.1982 C19H27N4O5+ 4 391.1976 1.6
+  420.192 C24H26N3O4+ 6 420.1918 0.6
+  503.229 C28H31N4O5+ 6 503.2289 0.16
+  945.4704 C48H65N8O12+ 1 945.4716 -1.35
+PK$NUM_PEAK: 23
+PK$PEAK: m/z int. rel.int.
+  68.0495 342244.1 16
+  74.06 2598458.2 124
+  120.0807 2184393.8 104
+  142.0859 734252.6 35
+  150.0913 17164052 820
+  158.0961 501637.8 23
+  167.0816 453581.2 21
+  179.0813 232346.2 11
+  187.1228 2404094.8 114
+  215.1177 7574234.5 362
+  224.1029 269583.3 12
+  243.1123 19511764 932
+  243.1338 2045239.8 97
+  250.1183 613722.7 29
+  268.129 4209079 201
+  277.1554 261956.2 12
+  295.1656 3763517 179
+  308.1283 919901.8 43
+  326.1496 2108018.2 100
+  391.1982 1713420.9 81
+  420.192 20899268 999
+  503.229 1452871.5 69
+  945.4704 561101.9 26
+//
diff --git a/Eawag/MSBNK-MLU-ED021404.txt b/Eawag/MSBNK-MLU-ED021404.txt
new file mode 100644
index 0000000000..be0d86d1c7
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED021404.txt
@@ -0,0 +1,92 @@
+ACCESSION: MSBNK-MLU-ED021404
+RECORD_TITLE: Molassamide; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], W. H. Gerwick [dtc], R. Reher [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 214
+CH$NAME: Molassamide
+CH$NAME: (2S,3R)-N-[(2S,5S,8S,11R,12S,15Z,18S,21R)-2-benzyl-15-ethylidene-21-hydroxy-5-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]-2-[[(2S)-2-(butanoylamino)propanoyl]amino]-3-hydroxybutanamide
+CH$NAME: (2S,3R)-N-((2S,5S,8S,11R,12S,18S,21R,Z)-2-benzyl-15-ethylidene-21-hydroxy-5-(4-hydroxybenzyl)-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)-2-((S)-2-butyramidopropanamido)-3-hydroxybutanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C48H66N8O13
+CH$EXACT_MASS: 962.4749342
+CH$SMILES: C/C=C(NC1=O)/C(N[C@@H]2C(N([C@@H](CC3=CC=CC=C3)C(N(C)[C@H](C(N[C@@H](C(C)C)C(O[C@H](C)[C@@H]1NC([C@H]([C@@H](C)O)NC([C@H](C)NC(CCC)=O)=O)=O)=O)=O)CC4=CC=C(O)C=C4)=O)[C@H](O)CC2)=O)=O
+CH$IUPAC: InChI=1S/C48H66N8O13/c1-9-14-36(59)49-26(5)41(61)53-39(27(6)57)44(64)54-40-28(7)69-48(68)38(25(3)4)52-43(63)34(23-30-17-19-31(58)20-18-30)55(8)47(67)35(24-29-15-12-11-13-16-29)56-37(60)22-21-33(46(56)66)51-42(62)32(10-2)50-45(40)65/h10-13,15-20,25-28,33-35,37-40,57-58,60H,9,14,21-24H2,1-8H3,(H,49,59)(H,50,65)(H,51,62)(H,52,63)(H,53,61)(H,54,64)/b32-10-/t26-,27+,28+,33-,34-,35-,37+,38-,39-,40-/m0/s1
+CH$LINK: PUBCHEM CID:45379965
+CH$LINK: INCHIKEY KXSGCAPYMUMVSH-VFYPFKDGSA-N
+CH$LINK: CHEMSPIDER 24662743
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 66-1000
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.558 min
+MS$FOCUSED_ION: BASE_PEAK 945.4719
+MS$FOCUSED_ION: PRECURSOR_M/Z 963.4822
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 229537965.38
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0v4l-0890100000-9b0013b5e90b05a2e343
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  74.06 C3H8NO+ 1 74.06 0.13
+  91.0541 C7H7+ 1 91.0542 -1
+  114.0913 C6H12NO+ 1 114.0913 0.08
+  120.0808 C8H10N+ 1 120.0808 -0.02
+  139.0864 C7H11N2O+ 1 139.0866 -1.43
+  142.0864 C7H12NO2+ 1 142.0863 0.68
+  150.0913 C9H12NO+ 1 150.0913 -0.38
+  158.0964 C11H12N+ 1 158.0964 -0.32
+  167.0814 C8H11N2O2+ 1 167.0815 -0.61
+  170.0964 C12H12N+ 1 170.0964 -0.22
+  179.0815 C9H11N2O2+ 1 179.0815 0.13
+  187.1228 C12H15N2+ 1 187.123 -0.7
+  197.1282 C10H17N2O2+ 1 197.1285 -1.48
+  215.1177 C13H15N2O+ 2 215.1179 -0.81
+  243.1124 C14H15N2O2+ 4 243.1128 -1.76
+  243.1334 C11H19N2O4+ 2 243.1339 -2.31
+  268.1291 C12H18N3O4+ 2 268.1292 -0.29
+  277.1551 CH23N7O9+ 3 277.1552 -0.21
+  295.1655 C15H23N2O4+ 3 295.1652 0.82
+  298.155 C17H20N3O2+ 6 298.155 0.06
+  308.1281 C19H18NO3+ 4 308.1281 -0.21
+  308.1612 CH24N8O10+ 5 308.161 0.68
+  326.1496 C18H20N3O3+ 4 326.1499 -0.94
+  420.1918 C24H26N3O4+ 6 420.1918 0.09
+PK$NUM_PEAK: 24
+PK$PEAK: m/z int. rel.int.
+  74.06 3806849 187
+  91.0541 256154.8 12
+  114.0913 233454.2 11
+  120.0808 6191351.5 304
+  139.0864 234016.2 11
+  142.0864 1036368.6 51
+  150.0913 20286774 999
+  158.0964 1210996.1 59
+  167.0814 902176.9 44
+  170.0964 324936.6 16
+  179.0815 779659.8 38
+  187.1228 4285639.5 211
+  197.1282 246923.6 12
+  215.1177 13080083 644
+  243.1124 17059226 840
+  243.1334 1115350.4 54
+  268.1291 3227969.5 158
+  277.1551 205100.9 10
+  295.1655 2942154 144
+  298.155 1558524.5 76
+  308.1281 1261939.1 62
+  308.1612 386823.5 19
+  326.1496 1486130.9 73
+  420.1918 4947262 243
+//
diff --git a/Eawag/MSBNK-MLU-ED021405.txt b/Eawag/MSBNK-MLU-ED021405.txt
new file mode 100644
index 0000000000..9352fe77b2
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED021405.txt
@@ -0,0 +1,104 @@
+ACCESSION: MSBNK-MLU-ED021405
+RECORD_TITLE: Molassamide; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], W. H. Gerwick [dtc], R. Reher [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 214
+CH$NAME: Molassamide
+CH$NAME: (2S,3R)-N-[(2S,5S,8S,11R,12S,15Z,18S,21R)-2-benzyl-15-ethylidene-21-hydroxy-5-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]-2-[[(2S)-2-(butanoylamino)propanoyl]amino]-3-hydroxybutanamide
+CH$NAME: (2S,3R)-N-((2S,5S,8S,11R,12S,18S,21R,Z)-2-benzyl-15-ethylidene-21-hydroxy-5-(4-hydroxybenzyl)-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)-2-((S)-2-butyramidopropanamido)-3-hydroxybutanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C48H66N8O13
+CH$EXACT_MASS: 962.4749342
+CH$SMILES: C/C=C(NC1=O)/C(N[C@@H]2C(N([C@@H](CC3=CC=CC=C3)C(N(C)[C@H](C(N[C@@H](C(C)C)C(O[C@H](C)[C@@H]1NC([C@H]([C@@H](C)O)NC([C@H](C)NC(CCC)=O)=O)=O)=O)=O)CC4=CC=C(O)C=C4)=O)[C@H](O)CC2)=O)=O
+CH$IUPAC: InChI=1S/C48H66N8O13/c1-9-14-36(59)49-26(5)41(61)53-39(27(6)57)44(64)54-40-28(7)69-48(68)38(25(3)4)52-43(63)34(23-30-17-19-31(58)20-18-30)55(8)47(67)35(24-29-15-12-11-13-16-29)56-37(60)22-21-33(46(56)66)51-42(62)32(10-2)50-45(40)65/h10-13,15-20,25-28,33-35,37-40,57-58,60H,9,14,21-24H2,1-8H3,(H,49,59)(H,50,65)(H,51,62)(H,52,63)(H,53,61)(H,54,64)/b32-10-/t26-,27+,28+,33-,34-,35-,37+,38-,39-,40-/m0/s1
+CH$LINK: PUBCHEM CID:45379965
+CH$LINK: INCHIKEY KXSGCAPYMUMVSH-VFYPFKDGSA-N
+CH$LINK: CHEMSPIDER 24662743
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 66-1000
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.558 min
+MS$FOCUSED_ION: BASE_PEAK 945.4719
+MS$FOCUSED_ION: PRECURSOR_M/Z 963.4822
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 229537965.38
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0g4i-1920000000-bbb80b6eb2d97710a262
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  68.0495 C4H6N+ 1 68.0495 0.69
+  74.0601 C3H8NO+ 1 74.06 0.85
+  91.0541 C7H7+ 1 91.0542 -1
+  107.0492 C7H7O+ 1 107.0491 0.67
+  114.0914 C6H12NO+ 1 114.0913 0.81
+  120.0808 C8H10N+ 1 120.0808 -0.02
+  121.0649 C8H9O+ 1 121.0648 1
+  135.0678 C8H9NO+ 1 135.0679 -0.62
+  139.0865 C7H11N2O+ 1 139.0866 -0.78
+  142.0863 C7H12NO2+ 1 142.0863 0.14
+  146.0964 C10H12N+ 1 146.0964 -0.06
+  150.0913 C9H12NO+ 1 150.0913 -0.17
+  153.0655 C7H9N2O2+ 1 153.0659 -2.45
+  158.0963 C11H12N+ 1 158.0964 -0.51
+  167.0814 C8H11N2O2+ 1 167.0815 -0.7
+  170.0963 C12H12N+ 1 170.0964 -0.76
+  179.0815 C9H11N2O2+ 1 179.0815 0.13
+  187.1229 C12H15N2+ 1 187.123 -0.53
+  197.1289 C10H17N2O2+ 1 197.1285 2.31
+  198.0913 C13H12NO+ 1 198.0913 -0.38
+  213.102 C13H13N2O+ 2 213.1022 -0.96
+  215.1177 C13H15N2O+ 2 215.1179 -0.95
+  224.1035 C10H14N3O3+ 2 224.103 2.53
+  243.1124 C14H15N2O2+ 4 243.1128 -1.76
+  243.1339 C11H19N2O4+ 1 243.1339 -0.18
+  250.1181 C12H16N3O3+ 2 250.1186 -2.04
+  268.1289 C12H18N3O4+ 2 268.1292 -1.2
+  298.155 C17H20N3O2+ 6 298.155 -0.05
+  308.1286 C5H20N6O9+ 4 308.1286 -0.07
+  391.1976 C19H27N4O5+ 6 391.1976 -0.11
+PK$NUM_PEAK: 30
+PK$PEAK: m/z int. rel.int.
+  68.0495 3492454 174
+  74.0601 5483854 273
+  91.0541 1036132.4 51
+  107.0492 271004.1 13
+  114.0914 1015852 50
+  120.0808 18102298 902
+  121.0649 218139.4 10
+  135.0678 224037.2 11
+  139.0865 661006.2 32
+  142.0863 1421841 70
+  146.0964 483776.1 24
+  150.0913 20030328 999
+  153.0655 547805.4 27
+  158.0963 4243497 211
+  167.0814 1469634.1 73
+  170.0963 1707583.6 85
+  179.0815 1623688.1 80
+  187.1229 6155897 307
+  197.1289 224057.1 11
+  198.0913 296197.5 14
+  213.102 228179.3 11
+  215.1177 11439767 570
+  224.1035 554836.8 27
+  243.1124 3465938.2 172
+  243.1339 248126.2 12
+  250.1181 906985.6 45
+  268.1289 877927.3 43
+  298.155 787170.3 39
+  308.1286 1407157.2 70
+  391.1976 234687.3 11
+//
diff --git a/Eawag/MSBNK-MLU-ED021406.txt b/Eawag/MSBNK-MLU-ED021406.txt
new file mode 100644
index 0000000000..b3cf480b1b
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED021406.txt
@@ -0,0 +1,104 @@
+ACCESSION: MSBNK-MLU-ED021406
+RECORD_TITLE: Molassamide; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], W. H. Gerwick [dtc], R. Reher [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 214
+CH$NAME: Molassamide
+CH$NAME: (2S,3R)-N-[(2S,5S,8S,11R,12S,15Z,18S,21R)-2-benzyl-15-ethylidene-21-hydroxy-5-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]-2-[[(2S)-2-(butanoylamino)propanoyl]amino]-3-hydroxybutanamide
+CH$NAME: (2S,3R)-N-((2S,5S,8S,11R,12S,18S,21R,Z)-2-benzyl-15-ethylidene-21-hydroxy-5-(4-hydroxybenzyl)-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)-2-((S)-2-butyramidopropanamido)-3-hydroxybutanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C48H66N8O13
+CH$EXACT_MASS: 962.4749342
+CH$SMILES: C/C=C(NC1=O)/C(N[C@@H]2C(N([C@@H](CC3=CC=CC=C3)C(N(C)[C@H](C(N[C@@H](C(C)C)C(O[C@H](C)[C@@H]1NC([C@H]([C@@H](C)O)NC([C@H](C)NC(CCC)=O)=O)=O)=O)=O)CC4=CC=C(O)C=C4)=O)[C@H](O)CC2)=O)=O
+CH$IUPAC: InChI=1S/C48H66N8O13/c1-9-14-36(59)49-26(5)41(61)53-39(27(6)57)44(64)54-40-28(7)69-48(68)38(25(3)4)52-43(63)34(23-30-17-19-31(58)20-18-30)55(8)47(67)35(24-29-15-12-11-13-16-29)56-37(60)22-21-33(46(56)66)51-42(62)32(10-2)50-45(40)65/h10-13,15-20,25-28,33-35,37-40,57-58,60H,9,14,21-24H2,1-8H3,(H,49,59)(H,50,65)(H,51,62)(H,52,63)(H,53,61)(H,54,64)/b32-10-/t26-,27+,28+,33-,34-,35-,37+,38-,39-,40-/m0/s1
+CH$LINK: PUBCHEM CID:45379965
+CH$LINK: INCHIKEY KXSGCAPYMUMVSH-VFYPFKDGSA-N
+CH$LINK: CHEMSPIDER 24662743
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 66-1000
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.558 min
+MS$FOCUSED_ION: BASE_PEAK 945.4719
+MS$FOCUSED_ION: PRECURSOR_M/Z 963.4822
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 229537965.38
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0fk9-2900000000-d92281d12d43b80fee5a
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  68.0496 C4H6N+ 1 68.0495 1.48
+  70.0653 C4H8N+ 1 70.0651 2.94
+  72.0809 C4H10N+ 1 72.0808 1.27
+  74.0601 C3H8NO+ 1 74.06 0.75
+  84.0446 C4H6NO+ 1 84.0444 2.2
+  91.0542 C7H7+ 1 91.0542 -0.16
+  107.0491 C7H7O+ 1 107.0491 -0.18
+  110.0601 C6H8NO+ 1 110.06 0.47
+  113.0708 C5H9N2O+ 1 113.0709 -1.64
+  114.0914 C6H12NO+ 1 114.0913 0.34
+  119.0492 C8H7O+ 1 119.0491 0.18
+  120.0808 C8H10N+ 1 120.0808 0.17
+  121.0646 C8H9O+ 1 121.0648 -1.27
+  125.0709 C6H9N2O+ 1 125.0709 -0.66
+  139.0865 C7H11N2O+ 1 139.0866 -0.34
+  146.0966 C10H12N+ 1 146.0964 1.19
+  149.0709 C8H9N2O+ 1 149.0709 -0.06
+  150.0913 C9H12NO+ 1 150.0913 -0.38
+  153.0655 C7H9N2O2+ 1 153.0659 -2.35
+  158.0964 C11H12N+ 1 158.0964 -0.22
+  167.0814 C8H11N2O2+ 1 167.0815 -0.52
+  170.0963 C12H12N+ 1 170.0964 -1.03
+  179.0814 C9H11N2O2+ 1 179.0815 -0.64
+  187.1229 C12H15N2+ 1 187.123 -0.62
+  198.0909 C13H12NO+ 2 198.0913 -2.46
+  213.1024 C13H13N2O+ 2 213.1022 0.83
+  215.1177 C13H15N2O+ 2 215.1179 -0.88
+  224.1024 C10H14N3O3+ 2 224.103 -2.37
+  243.1129 C14H15N2O2+ 3 243.1128 0.43
+  308.1288 C5H20N6O9+ 4 308.1286 0.52
+PK$NUM_PEAK: 30
+PK$PEAK: m/z int. rel.int.
+  68.0496 8936981 322
+  70.0653 470748.6 16
+  72.0809 347888.8 12
+  74.0601 6146682.5 221
+  84.0446 354955.1 12
+  91.0542 3729021.8 134
+  107.0491 818571.1 29
+  110.0601 352877.4 12
+  113.0708 360407.5 13
+  114.0914 1159425.4 41
+  119.0492 485367 17
+  120.0808 27681370 999
+  121.0646 445801.6 16
+  125.0709 396673.4 14
+  139.0865 1961335.9 70
+  146.0966 605093.1 21
+  149.0709 282464.8 10
+  150.0913 19962438 720
+  153.0655 580711.3 20
+  158.0964 7136421.5 257
+  167.0814 1480289 53
+  170.0963 3165263.8 114
+  179.0814 1398783.8 50
+  187.1229 3246076.2 117
+  198.0909 564767.6 20
+  213.1024 519458.3 18
+  215.1177 3984301.8 143
+  224.1024 319166.6 11
+  243.1129 508483.9 18
+  308.1288 737913.8 26
+//
diff --git a/Eawag/MSBNK-MLU-ED021407.txt b/Eawag/MSBNK-MLU-ED021407.txt
new file mode 100644
index 0000000000..2d1030aa29
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED021407.txt
@@ -0,0 +1,110 @@
+ACCESSION: MSBNK-MLU-ED021407
+RECORD_TITLE: Molassamide; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], W. H. Gerwick [dtc], R. Reher [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 214
+CH$NAME: Molassamide
+CH$NAME: (2S,3R)-N-[(2S,5S,8S,11R,12S,15Z,18S,21R)-2-benzyl-15-ethylidene-21-hydroxy-5-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]-2-[[(2S)-2-(butanoylamino)propanoyl]amino]-3-hydroxybutanamide
+CH$NAME: (2S,3R)-N-((2S,5S,8S,11R,12S,18S,21R,Z)-2-benzyl-15-ethylidene-21-hydroxy-5-(4-hydroxybenzyl)-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)-2-((S)-2-butyramidopropanamido)-3-hydroxybutanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C48H66N8O13
+CH$EXACT_MASS: 962.4749342
+CH$SMILES: C/C=C(NC1=O)/C(N[C@@H]2C(N([C@@H](CC3=CC=CC=C3)C(N(C)[C@H](C(N[C@@H](C(C)C)C(O[C@H](C)[C@@H]1NC([C@H]([C@@H](C)O)NC([C@H](C)NC(CCC)=O)=O)=O)=O)=O)CC4=CC=C(O)C=C4)=O)[C@H](O)CC2)=O)=O
+CH$IUPAC: InChI=1S/C48H66N8O13/c1-9-14-36(59)49-26(5)41(61)53-39(27(6)57)44(64)54-40-28(7)69-48(68)38(25(3)4)52-43(63)34(23-30-17-19-31(58)20-18-30)55(8)47(67)35(24-29-15-12-11-13-16-29)56-37(60)22-21-33(46(56)66)51-42(62)32(10-2)50-45(40)65/h10-13,15-20,25-28,33-35,37-40,57-58,60H,9,14,21-24H2,1-8H3,(H,49,59)(H,50,65)(H,51,62)(H,52,63)(H,53,61)(H,54,64)/b32-10-/t26-,27+,28+,33-,34-,35-,37+,38-,39-,40-/m0/s1
+CH$LINK: PUBCHEM CID:45379965
+CH$LINK: INCHIKEY KXSGCAPYMUMVSH-VFYPFKDGSA-N
+CH$LINK: CHEMSPIDER 24662743
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 66-1000
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.558 min
+MS$FOCUSED_ION: BASE_PEAK 945.4719
+MS$FOCUSED_ION: PRECURSOR_M/Z 963.4822
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 229537965.38
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00di-4900000000-64e5529e651a74a0d63a
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  68.0496 C4H6N+ 1 68.0495 1.59
+  70.0652 C4H8N+ 1 70.0651 1.41
+  74.0601 C3H8NO+ 1 74.06 0.54
+  80.0495 C5H6N+ 1 80.0495 0.26
+  84.0444 C4H6NO+ 1 84.0444 0.21
+  91.0542 C7H7+ 1 91.0542 0.09
+  95.0604 C5H7N2+ 1 95.0604 0.74
+  96.0444 C5H6NO+ 1 96.0444 0.2
+  96.0682 C5H8N2+ 1 96.0682 0.23
+  103.0542 C8H7+ 1 103.0542 -0.22
+  107.0492 C7H7O+ 1 107.0491 0.32
+  109.0649 C7H9O+ 1 109.0648 1.03
+  110.0601 C6H8NO+ 1 110.06 0.2
+  112.0395 C5H6NO2+ 1 112.0393 1.94
+  113.0709 C5H9N2O+ 1 113.0709 -0.77
+  114.0914 C6H12NO+ 1 114.0913 0.28
+  119.0492 C8H7O+ 1 119.0491 0.89
+  120.0808 C8H10N+ 1 120.0808 0.3
+  121.0285 C7H5O2+ 1 121.0284 0.37
+  121.0648 C8H9O+ 1 121.0648 0.18
+  125.0709 C6H9N2O+ 1 125.0709 -0.35
+  135.0679 C8H9NO+ 1 135.0679 0.17
+  146.0961 C10H12N+ 1 146.0964 -2.15
+  149.0708 C8H9N2O+ 1 149.0709 -0.68
+  150.0913 C9H12NO+ 1 150.0913 -0.38
+  151.0862 C8H11N2O+ 1 151.0866 -2.37
+  158.0964 C11H12N+ 1 158.0964 -0.32
+  167.0814 C8H11N2O2+ 1 167.0815 -0.61
+  168.0809 C12H10N+ 1 168.0808 0.74
+  170.0964 C12H12N+ 1 170.0964 -0.4
+  187.1229 C12H15N2+ 1 187.123 -0.45
+  213.102 C13H13N2O+ 2 213.1022 -0.96
+  215.1178 C13H15N2O+ 2 215.1179 -0.39
+PK$NUM_PEAK: 33
+PK$PEAK: m/z int. rel.int.
+  68.0496 12320402 521
+  70.0652 708695.8 30
+  74.0601 5208993.5 220
+  80.0495 548259.6 23
+  84.0444 753165.6 31
+  91.0542 7732378.5 327
+  95.0604 377652.1 15
+  96.0444 249207.4 10
+  96.0682 443488.3 18
+  103.0542 975604.8 41
+  107.0492 1296306.9 54
+  109.0649 248259 10
+  110.0601 508012.2 21
+  112.0395 252621.9 10
+  113.0709 307947.3 13
+  114.0914 1109531.4 46
+  119.0492 1084434.5 45
+  120.0808 23592700 999
+  121.0285 545290.5 23
+  121.0648 742753.8 31
+  125.0709 630034.3 26
+  135.0679 1349600.2 57
+  146.0961 347497.5 14
+  149.0708 384624 16
+  150.0913 14616324 618
+  151.0862 477492.7 20
+  158.0964 5632915.5 238
+  167.0814 738112.4 31
+  168.0809 292890.9 12
+  170.0964 3755889.5 159
+  187.1229 885360.2 37
+  213.102 421823.2 17
+  215.1178 763231.9 32
+//
diff --git a/Eawag/MSBNK-MLU-ED021451.txt b/Eawag/MSBNK-MLU-ED021451.txt
new file mode 100644
index 0000000000..dacb504a00
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED021451.txt
@@ -0,0 +1,48 @@
+ACCESSION: MSBNK-MLU-ED021451
+RECORD_TITLE: Molassamide; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], W. H. Gerwick [dtc], R. Reher [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 214
+CH$NAME: Molassamide
+CH$NAME: (2S,3R)-N-[(2S,5S,8S,11R,12S,15Z,18S,21R)-2-benzyl-15-ethylidene-21-hydroxy-5-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]-2-[[(2S)-2-(butanoylamino)propanoyl]amino]-3-hydroxybutanamide
+CH$NAME: (2S,3R)-N-((2S,5S,8S,11R,12S,18S,21R,Z)-2-benzyl-15-ethylidene-21-hydroxy-5-(4-hydroxybenzyl)-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)-2-((S)-2-butyramidopropanamido)-3-hydroxybutanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C48H66N8O13
+CH$EXACT_MASS: 962.4749342
+CH$SMILES: C/C=C(NC1=O)/C(N[C@@H]2C(N([C@@H](CC3=CC=CC=C3)C(N(C)[C@H](C(N[C@@H](C(C)C)C(O[C@H](C)[C@@H]1NC([C@H]([C@@H](C)O)NC([C@H](C)NC(CCC)=O)=O)=O)=O)=O)CC4=CC=C(O)C=C4)=O)[C@H](O)CC2)=O)=O
+CH$IUPAC: InChI=1S/C48H66N8O13/c1-9-14-36(59)49-26(5)41(61)53-39(27(6)57)44(64)54-40-28(7)69-48(68)38(25(3)4)52-43(63)34(23-30-17-19-31(58)20-18-30)55(8)47(67)35(24-29-15-12-11-13-16-29)56-37(60)22-21-33(46(56)66)51-42(62)32(10-2)50-45(40)65/h10-13,15-20,25-28,33-35,37-40,57-58,60H,9,14,21-24H2,1-8H3,(H,49,59)(H,50,65)(H,51,62)(H,52,63)(H,53,61)(H,54,64)/b32-10-/t26-,27+,28+,33-,34-,35-,37+,38-,39-,40-/m0/s1
+CH$LINK: PUBCHEM CID:45379965
+CH$LINK: INCHIKEY KXSGCAPYMUMVSH-VFYPFKDGSA-N
+CH$LINK: CHEMSPIDER 24662743
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 66-1000
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.579 min
+MS$FOCUSED_ION: BASE_PEAK 961.4666
+MS$FOCUSED_ION: PRECURSOR_M/Z 961.4677
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 978545757.94
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03di-0000000009-09413c57b11e6a449383
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  672.3362 C32H46N7O9- 10 672.3362 -0.08
+  961.4678 C48H65N8O13- 1 961.4677 0.12
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  672.3362 14573693 62
+  961.4678 231308144 999
+//
diff --git a/Eawag/MSBNK-MLU-ED021452.txt b/Eawag/MSBNK-MLU-ED021452.txt
new file mode 100644
index 0000000000..2920098b8e
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED021452.txt
@@ -0,0 +1,66 @@
+ACCESSION: MSBNK-MLU-ED021452
+RECORD_TITLE: Molassamide; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], W. H. Gerwick [dtc], R. Reher [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 214
+CH$NAME: Molassamide
+CH$NAME: (2S,3R)-N-[(2S,5S,8S,11R,12S,15Z,18S,21R)-2-benzyl-15-ethylidene-21-hydroxy-5-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]-2-[[(2S)-2-(butanoylamino)propanoyl]amino]-3-hydroxybutanamide
+CH$NAME: (2S,3R)-N-((2S,5S,8S,11R,12S,18S,21R,Z)-2-benzyl-15-ethylidene-21-hydroxy-5-(4-hydroxybenzyl)-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)-2-((S)-2-butyramidopropanamido)-3-hydroxybutanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C48H66N8O13
+CH$EXACT_MASS: 962.4749342
+CH$SMILES: C/C=C(NC1=O)/C(N[C@@H]2C(N([C@@H](CC3=CC=CC=C3)C(N(C)[C@H](C(N[C@@H](C(C)C)C(O[C@H](C)[C@@H]1NC([C@H]([C@@H](C)O)NC([C@H](C)NC(CCC)=O)=O)=O)=O)=O)CC4=CC=C(O)C=C4)=O)[C@H](O)CC2)=O)=O
+CH$IUPAC: InChI=1S/C48H66N8O13/c1-9-14-36(59)49-26(5)41(61)53-39(27(6)57)44(64)54-40-28(7)69-48(68)38(25(3)4)52-43(63)34(23-30-17-19-31(58)20-18-30)55(8)47(67)35(24-29-15-12-11-13-16-29)56-37(60)22-21-33(46(56)66)51-42(62)32(10-2)50-45(40)65/h10-13,15-20,25-28,33-35,37-40,57-58,60H,9,14,21-24H2,1-8H3,(H,49,59)(H,50,65)(H,51,62)(H,52,63)(H,53,61)(H,54,64)/b32-10-/t26-,27+,28+,33-,34-,35-,37+,38-,39-,40-/m0/s1
+CH$LINK: PUBCHEM CID:45379965
+CH$LINK: INCHIKEY KXSGCAPYMUMVSH-VFYPFKDGSA-N
+CH$LINK: CHEMSPIDER 24662743
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 66-1000
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.579 min
+MS$FOCUSED_ION: BASE_PEAK 961.4666
+MS$FOCUSED_ION: PRECURSOR_M/Z 961.4677
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 978545757.94
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-014i-0000000009-d0932875d23ac443c62c
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  195.0757 C7H9N5O2- 3 195.0762 -2.18
+  383.1715 C19H27O8- 5 383.1711 1.06
+  579.2457 C30H35N4O8- 8 579.246 -0.61
+  610.298 C29H44N3O11- 8 610.2981 -0.15
+  629.3123 C38H45O8- 9 629.312 0.43
+  636.3052 C32H46NO12- 8 636.3025 4.14
+  672.3363 C32H46N7O9- 10 672.3362 0.01
+  719.3423 C39H49N3O10- 6 719.3423 -0.12
+  751.3678 C38H51N6O10- 6 751.3672 0.76
+  917.4423 C48H63N5O13- 2 917.4428 -0.57
+  961.4685 C48H65N8O13- 1 961.4677 0.88
+PK$NUM_PEAK: 11
+PK$PEAK: m/z int. rel.int.
+  195.0757 1535068 12
+  383.1715 1595618.4 12
+  579.2457 4246787 33
+  610.298 1424470.6 11
+  629.3123 1969753.2 15
+  636.3052 7561785 59
+  672.3363 2319401.2 18
+  719.3423 4357655.5 34
+  751.3678 2364582 18
+  917.4423 126639184 999
+  961.4685 46356148 365
+//
diff --git a/Eawag/MSBNK-MLU-ED021453.txt b/Eawag/MSBNK-MLU-ED021453.txt
new file mode 100644
index 0000000000..7ddc3766ea
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED021453.txt
@@ -0,0 +1,110 @@
+ACCESSION: MSBNK-MLU-ED021453
+RECORD_TITLE: Molassamide; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], W. H. Gerwick [dtc], R. Reher [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 214
+CH$NAME: Molassamide
+CH$NAME: (2S,3R)-N-[(2S,5S,8S,11R,12S,15Z,18S,21R)-2-benzyl-15-ethylidene-21-hydroxy-5-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]-2-[[(2S)-2-(butanoylamino)propanoyl]amino]-3-hydroxybutanamide
+CH$NAME: (2S,3R)-N-((2S,5S,8S,11R,12S,18S,21R,Z)-2-benzyl-15-ethylidene-21-hydroxy-5-(4-hydroxybenzyl)-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)-2-((S)-2-butyramidopropanamido)-3-hydroxybutanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C48H66N8O13
+CH$EXACT_MASS: 962.4749342
+CH$SMILES: C/C=C(NC1=O)/C(N[C@@H]2C(N([C@@H](CC3=CC=CC=C3)C(N(C)[C@H](C(N[C@@H](C(C)C)C(O[C@H](C)[C@@H]1NC([C@H]([C@@H](C)O)NC([C@H](C)NC(CCC)=O)=O)=O)=O)=O)CC4=CC=C(O)C=C4)=O)[C@H](O)CC2)=O)=O
+CH$IUPAC: InChI=1S/C48H66N8O13/c1-9-14-36(59)49-26(5)41(61)53-39(27(6)57)44(64)54-40-28(7)69-48(68)38(25(3)4)52-43(63)34(23-30-17-19-31(58)20-18-30)55(8)47(67)35(24-29-15-12-11-13-16-29)56-37(60)22-21-33(46(56)66)51-42(62)32(10-2)50-45(40)65/h10-13,15-20,25-28,33-35,37-40,57-58,60H,9,14,21-24H2,1-8H3,(H,49,59)(H,50,65)(H,51,62)(H,52,63)(H,53,61)(H,54,64)/b32-10-/t26-,27+,28+,33-,34-,35-,37+,38-,39-,40-/m0/s1
+CH$LINK: PUBCHEM CID:45379965
+CH$LINK: INCHIKEY KXSGCAPYMUMVSH-VFYPFKDGSA-N
+CH$LINK: CHEMSPIDER 24662743
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 66-1000
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.579 min
+MS$FOCUSED_ION: BASE_PEAK 961.4666
+MS$FOCUSED_ION: PRECURSOR_M/Z 961.4677
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 978545757.94
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-014i-0211033109-34cca85da9d544a61ea7
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  110.0235 C3H2N4O- 1 110.0234 0.69
+  116.0702 C3H8N4O- 1 116.0704 -1.35
+  139.0501 C4H5N5O- 1 139.05 0.87
+  142.0499 C4H6N4O2- 1 142.0496 2.05
+  152.0704 C6H8N4O- 1 152.0704 0.27
+  157.0969 C5H11N5O- 1 157.0969 -0.32
+  195.0759 C7H9N5O2- 1 195.0762 -1.47
+  196.1079 C7H12N6O- 1 196.1078 0.62
+  197.0914 C7H11N5O2- 3 197.0918 -2.2
+  214.1181 C7H14N6O2- 1 214.1184 -1.1
+  234.123 C10H14N6O- 2 234.1235 -1.82
+  260.1018 C11H12N6O2- 2 260.1027 -3.63
+  261.0865 C11H11N5O3- 3 261.0867 -0.76
+  293.1498 C13H19N5O3- 3 293.1493 1.65
+  360.1559 C18H22N3O5- 3 360.1565 -1.56
+  373.187 C18H29O8- 5 373.1868 0.67
+  383.1718 C19H27O8- 4 383.1711 1.62
+  394.1873 C20H28NO7- 5 394.1871 0.38
+  395.1709 C19H21N7O3- 5 395.1711 -0.7
+  401.1828 C20H25N4O5- 5 401.183 -0.62
+  440.2178 C22H28N6O4- 4 440.2178 0.21
+  523.2187 C26H35O11- 7 523.2185 0.45
+  535.2617 C37H33N3O- 8 535.2629 -2.22
+  579.2456 C30H35N4O8- 8 579.246 -0.82
+  592.2882 C44H36N2- 7 592.2884 -0.4
+  610.2982 C29H44N3O11- 8 610.2981 0.15
+  636.3043 C32H46NO12- 8 636.3025 2.79
+  664.3003 C36H44N2O10- 8 664.3001 0.24
+  693.3258 C35H45N6O9- 7 693.3254 0.68
+  719.3419 C39H49N3O10- 7 719.3423 -0.63
+  751.3671 C38H51N6O10- 6 751.3672 -0.14
+  917.4424 C48H63N5O13- 2 917.4428 -0.43
+  961.4691 C48H65N8O13- 1 961.4677 1.51
+PK$NUM_PEAK: 33
+PK$PEAK: m/z int. rel.int.
+  110.0235 910758.4 11
+  116.0702 1088260.2 14
+  139.0501 2687522 35
+  142.0499 1604706.1 20
+  152.0704 1586425.8 20
+  157.0969 2884736 37
+  195.0759 7450969.5 97
+  196.1079 1019831.8 13
+  197.0914 1823736.2 23
+  214.1181 5058924 66
+  234.123 917750.6 11
+  260.1018 843690.1 11
+  261.0865 1558032.1 20
+  293.1498 4225534.5 55
+  360.1559 904453.2 11
+  373.187 4623685 60
+  383.1718 5740483 74
+  394.1873 3144398 41
+  395.1709 2063732.1 26
+  401.1828 2242810.2 29
+  440.2178 1277178.6 16
+  523.2187 1663017.8 21
+  535.2617 5309156 69
+  579.2456 17157986 223
+  592.2882 4083319.2 53
+  610.2982 2542218.8 33
+  636.3043 26889588 351
+  664.3003 2604586 33
+  693.3258 1767456.2 23
+  719.3419 7126558 93
+  751.3671 7896954.5 103
+  917.4424 76529696 999
+  961.4691 4081603.8 53
+//
diff --git a/Eawag/MSBNK-MLU-ED021454.txt b/Eawag/MSBNK-MLU-ED021454.txt
new file mode 100644
index 0000000000..d9509f024f
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED021454.txt
@@ -0,0 +1,188 @@
+ACCESSION: MSBNK-MLU-ED021454
+RECORD_TITLE: Molassamide; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], W. H. Gerwick [dtc], R. Reher [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 214
+CH$NAME: Molassamide
+CH$NAME: (2S,3R)-N-[(2S,5S,8S,11R,12S,15Z,18S,21R)-2-benzyl-15-ethylidene-21-hydroxy-5-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]-2-[[(2S)-2-(butanoylamino)propanoyl]amino]-3-hydroxybutanamide
+CH$NAME: (2S,3R)-N-((2S,5S,8S,11R,12S,18S,21R,Z)-2-benzyl-15-ethylidene-21-hydroxy-5-(4-hydroxybenzyl)-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)-2-((S)-2-butyramidopropanamido)-3-hydroxybutanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C48H66N8O13
+CH$EXACT_MASS: 962.4749342
+CH$SMILES: C/C=C(NC1=O)/C(N[C@@H]2C(N([C@@H](CC3=CC=CC=C3)C(N(C)[C@H](C(N[C@@H](C(C)C)C(O[C@H](C)[C@@H]1NC([C@H]([C@@H](C)O)NC([C@H](C)NC(CCC)=O)=O)=O)=O)=O)CC4=CC=C(O)C=C4)=O)[C@H](O)CC2)=O)=O
+CH$IUPAC: InChI=1S/C48H66N8O13/c1-9-14-36(59)49-26(5)41(61)53-39(27(6)57)44(64)54-40-28(7)69-48(68)38(25(3)4)52-43(63)34(23-30-17-19-31(58)20-18-30)55(8)47(67)35(24-29-15-12-11-13-16-29)56-37(60)22-21-33(46(56)66)51-42(62)32(10-2)50-45(40)65/h10-13,15-20,25-28,33-35,37-40,57-58,60H,9,14,21-24H2,1-8H3,(H,49,59)(H,50,65)(H,51,62)(H,52,63)(H,53,61)(H,54,64)/b32-10-/t26-,27+,28+,33-,34-,35-,37+,38-,39-,40-/m0/s1
+CH$LINK: PUBCHEM CID:45379965
+CH$LINK: INCHIKEY KXSGCAPYMUMVSH-VFYPFKDGSA-N
+CH$LINK: CHEMSPIDER 24662743
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 66-1000
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.579 min
+MS$FOCUSED_ION: BASE_PEAK 961.4666
+MS$FOCUSED_ION: PRECURSOR_M/Z 961.4677
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 978545757.94
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-000i-0944022001-e977ab9a563ad9013550
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  84.0078 CN4O- 1 84.0078 0.39
+  86.0596 C2H6N4- 1 86.0598 -1.76
+  87.0551 CH5N5- 1 87.055 1.18
+  99.0186 CHN5O- 1 99.0187 -0.29
+  99.055 C2H5N5- 1 99.055 -0.76
+  100.0389 C2H4N4O- 1 100.0391 -1.72
+  110.0233 C3H2N4O- 1 110.0234 -0.97
+  111.0548 C3H5N5- 1 111.055 -2.35
+  113.0342 C2H3N5O- 1 113.0343 -0.82
+  116.0704 C3H8N4O- 1 116.0704 0.03
+  119.0488 C6H5N3- 1 119.0489 -0.67
+  125.0342 C3H3N5O- 1 125.0343 -1.17
+  126.0658 C3H6N6- 1 126.0659 -1.5
+  127.0498 C3H5N5O- 1 127.05 -1.2
+  134.0359 C6H4N3O- 1 134.036 -0.41
+  139.0501 C4H5N5O- 1 139.05 1.09
+  139.0863 C5H9N5- 1 139.0863 -0.18
+  140.034 C4H4N4O2- 1 140.034 0.1
+  140.0703 C5H8N4O- 1 140.0704 -0.07
+  142.0497 C4H6N4O2- 1 142.0496 0.65
+  144.0768 C3H8N6O- 1 144.0765 2.11
+  151.0502 C5H5N5O- 1 151.05 1.36
+  152.0342 C5H4N4O2- 1 152.034 1.33
+  152.0703 C6H8N4O- 1 152.0704 -0.44
+  153.1018 C6H11N5- 1 153.102 -1.03
+  155.045 C4H5N5O2- 1 155.0449 1.14
+  156.0765 C4H8N6O- 1 156.0765 0.25
+  157.097 C5H11N5O- 1 157.0969 0.36
+  160.0754 C8H8N4- 1 160.0754 -0.27
+  162.0546 C7H6N4O- 1 162.0547 -0.41
+  165.0654 C6H7N5O- 1 165.0656 -0.99
+  166.0608 C5H6N6O- 1 166.0609 -0.46
+  167.0808 C6H9N5O- 1 167.0813 -2.54
+  173.0702 C8H7N5- 1 173.0707 -2.73
+  174.1038 C10H12N3- 1 174.1037 0.88
+  179.0807 C7H9N5O- 3 179.0813 -3.08
+  186.0543 C9H6N4O- 1 186.0547 -2.01
+  190.0974 C8H10N6- 1 190.0972 0.82
+  191.0812 C8H9N5O- 1 191.0813 -0.17
+  195.076 C7H9N5O2- 1 195.0762 -1.08
+  196.1074 C7H12N6O- 2 196.1078 -1.87
+  197.0917 C7H11N5O2- 1 197.0918 -0.66
+  212.1028 C7H12N6O2- 1 212.1027 0.18
+  214.1181 C7H14N6O2- 2 214.1184 -1.31
+  215.1024 C7H13N5O3- 1 215.1024 -0.07
+  216.1011 C10H16O5- 3 216.1003 3.62
+  217.0962 C10H11N5O- 3 217.0969 -3.1
+  222.087 C8H10N6O2- 1 222.0871 -0.28
+  234.1233 C10H14N6O- 1 234.1235 -0.52
+  242.0803 C12H10N4O2- 3 242.0809 -2.67
+  260.1023 C11H12N6O2- 2 260.1027 -1.64
+  261.0863 C11H11N5O3- 3 261.0867 -1.81
+  293.1494 C13H19N5O3- 4 293.1493 0.3
+  294.1516 C7H24N3O9- 2 294.1518 -0.67
+  300.0979 C13H12N6O3- 2 300.0976 0.73
+  323.1391 C17H17N5O2- 5 323.1388 0.94
+  327.1443 C2H25N5O13- 5 327.1454 -3.49
+  345.1555 C17H21N4O4- 5 345.1568 -3.96
+  356.1244 C16H16N6O4- 3 356.1239 1.47
+  360.1561 C18H22N3O5- 5 360.1565 -1.14
+  373.1873 C18H29O8- 4 373.1868 1.48
+  383.1719 C20H23N4O4- 6 383.1725 -1.47
+  387.2039 C20H27N4O4- 6 387.2038 0.39
+  394.1873 C20H28NO7- 5 394.1871 0.38
+  395.1711 C19H21N7O3- 5 395.1711 -0.09
+  423.1916 C22H25N5O4- 5 423.1912 1
+  430.2089 C20H32NO9- 5 430.2083 1.57
+  535.2625 C37H33N3O- 9 535.2629 -0.74
+  579.2458 C30H35N4O8- 7 579.246 -0.4
+  636.3037 C32H46NO12- 9 636.3025 1.83
+  899.4332 C48H61N5O12- 2 899.4322 1.11
+  917.4426 C48H63N5O13- 2 917.4428 -0.17
+PK$NUM_PEAK: 72
+PK$PEAK: m/z int. rel.int.
+  84.0078 421987.6 18
+  86.0596 1317794.9 56
+  87.0551 676049.8 29
+  99.0186 1813917.1 78
+  99.055 725040.4 31
+  100.0389 533931.3 23
+  110.0233 2074884 89
+  111.0548 993278.7 42
+  113.0342 582912.2 25
+  116.0704 6306278 272
+  119.0488 1593490.4 68
+  125.0342 1060139.8 45
+  126.0658 864460.4 37
+  127.0498 1302066.5 56
+  134.0359 663878.6 28
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+  917.4426 10137499 438
+//
diff --git a/Eawag/MSBNK-MLU-ED021455.txt b/Eawag/MSBNK-MLU-ED021455.txt
new file mode 100644
index 0000000000..1d09165284
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED021455.txt
@@ -0,0 +1,280 @@
+ACCESSION: MSBNK-MLU-ED021455
+RECORD_TITLE: Molassamide; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], W. H. Gerwick [dtc], R. Reher [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 214
+CH$NAME: Molassamide
+CH$NAME: (2S,3R)-N-[(2S,5S,8S,11R,12S,15Z,18S,21R)-2-benzyl-15-ethylidene-21-hydroxy-5-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]-2-[[(2S)-2-(butanoylamino)propanoyl]amino]-3-hydroxybutanamide
+CH$NAME: (2S,3R)-N-((2S,5S,8S,11R,12S,18S,21R,Z)-2-benzyl-15-ethylidene-21-hydroxy-5-(4-hydroxybenzyl)-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)-2-((S)-2-butyramidopropanamido)-3-hydroxybutanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C48H66N8O13
+CH$EXACT_MASS: 962.4749342
+CH$SMILES: C/C=C(NC1=O)/C(N[C@@H]2C(N([C@@H](CC3=CC=CC=C3)C(N(C)[C@H](C(N[C@@H](C(C)C)C(O[C@H](C)[C@@H]1NC([C@H]([C@@H](C)O)NC([C@H](C)NC(CCC)=O)=O)=O)=O)=O)CC4=CC=C(O)C=C4)=O)[C@H](O)CC2)=O)=O
+CH$IUPAC: InChI=1S/C48H66N8O13/c1-9-14-36(59)49-26(5)41(61)53-39(27(6)57)44(64)54-40-28(7)69-48(68)38(25(3)4)52-43(63)34(23-30-17-19-31(58)20-18-30)55(8)47(67)35(24-29-15-12-11-13-16-29)56-37(60)22-21-33(46(56)66)51-42(62)32(10-2)50-45(40)65/h10-13,15-20,25-28,33-35,37-40,57-58,60H,9,14,21-24H2,1-8H3,(H,49,59)(H,50,65)(H,51,62)(H,52,63)(H,53,61)(H,54,64)/b32-10-/t26-,27+,28+,33-,34-,35-,37+,38-,39-,40-/m0/s1
+CH$LINK: PUBCHEM CID:45379965
+CH$LINK: INCHIKEY KXSGCAPYMUMVSH-VFYPFKDGSA-N
+CH$LINK: CHEMSPIDER 24662743
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 66-1000
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.579 min
+MS$FOCUSED_ION: BASE_PEAK 961.4666
+MS$FOCUSED_ION: PRECURSOR_M/Z 961.4677
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 978545757.94
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-05mx-1920000000-01bd476b9ce077f0286d
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  71.0236 HN5- 1 71.0237 -1.94
+  73.0394 H3N5- 1 73.0394 -0.28
+  74.0233 H2N4O- 1 74.0234 -1.82
+  82.0286 C2H2N4- 1 82.0285 1.03
+  83.0237 CHN5- 1 83.0237 -0.14
+  84.0078 CN4O- 1 84.0078 0.3
+  85.0394 CH3N5- 1 85.0394 0.32
+  86.0597 C2H6N4- 1 86.0598 -0.61
+  87.0551 CH5N5- 1 87.055 1.09
+  93.0333 C4H3N3- 1 93.0332 0.68
+  95.0237 C2HN5- 1 95.0237 -0.68
+  96.0441 C3H4N4- 1 96.0441 -0.42
+  99.0187 CHN5O- 1 99.0187 0.02
+  99.0551 C2H5N5- 1 99.055 0.24
+  100.0391 C2H4N4O- 1 100.0391 0.64
+  101.0342 CH3N5O- 1 101.0343 -0.87
+  101.0707 C2H7N5- 1 101.0707 -0.36
+  106.0412 C5H4N3- 1 106.0411 1.49
+  107.0488 C5H5N3- 1 107.0489 -0.51
+  109.0394 C3H3N5- 1 109.0394 -0.32
+  110.0232 C3H2N4O- 1 110.0234 -1.46
+  111.0188 C2HN5O- 1 111.0187 0.96
+  111.055 C3H5N5- 1 111.055 -0.77
+  112.0267 C2H2N5O- 1 112.0265 1.89
+  112.039 C3H4N4O- 1 112.0391 -0.11
+  112.0756 C4H8N4- 1 112.0754 0.97
+  113.0343 C2H3N5O- 1 113.0343 0.05
+  113.0706 C3H7N5- 1 113.0707 -1.17
+  116.0704 C3H8N4O- 1 116.0704 0.03
+  119.0489 C6H5N3- 1 119.0489 -0.03
+  121.0393 C4H3N5- 1 121.0394 -1.09
+  122.0234 C4H2N4O- 1 122.0234 -0.21
+  123.055 C4H5N5- 1 123.055 -0.12
+  124.0391 C4H4N4O- 1 124.0391 0.62
+  125.0344 C3H3N5O- 1 125.0343 0.78
+  125.0705 C4H7N5- 1 125.0707 -1.79
+  126.066 C3H6N6- 1 126.0659 0.2
+  127.0499 C3H5N5O- 1 127.05 -0.78
+  134.0361 C6H4N3O- 1 134.036 1.07
+  135.0545 C5H5N5- 1 135.055 -3.96
+  138.066 C4H6N6- 1 138.0659 0.66
+  139.0501 C4H5N5O- 1 139.05 0.76
+  139.0863 C5H9N5- 1 139.0863 -0.51
+  140.0704 C5H8N4O- 1 140.0704 0.03
+  141.0659 C4H7N5O- 1 141.0656 1.74
+  141.1021 C5H11N5- 1 141.102 0.7
+  142.0497 C4H6N4O2- 1 142.0496 0.76
+  143.1178 C5H13N5- 1 143.1176 1.35
+  144.0766 C3H8N6O- 1 144.0765 0.94
+  147.0441 C7H5N3O- 1 147.0438 2.04
+  148.0755 C7H8N4- 1 148.0754 0.17
+  149.0706 C6H7N5- 1 149.0707 -0.39
+  151.0499 C5H5N5O- 1 151.05 -0.15
+  151.0865 C6H9N5- 1 151.0863 0.8
+  152.0337 C5H4N4O2- 1 152.034 -1.58
+  152.0706 C6H8N4O- 1 152.0704 1.77
+  152.0812 C5H8N6- 1 152.0816 -2.26
+  153.0292 C4H3N5O2- 1 153.0292 0.08
+  153.0655 C5H7N5O- 1 153.0656 -0.48
+  153.1019 C6H11N5- 1 153.102 -0.54
+  155.0449 C4H5N5O2- 1 155.0449 -0.14
+  156.0766 C4H8N6O- 1 156.0765 0.34
+  157.0969 C5H11N5O- 1 157.0969 -0.12
+  160.0755 C8H8N4- 1 160.0754 0.11
+  161.071 C7H7N5- 1 161.0707 2.16
+  162.0545 C7H6N4O- 1 162.0547 -1.54
+  163.0864 C7H9N5- 1 163.0863 0.63
+  165.0657 C6H7N5O- 1 165.0656 0.67
+  166.0609 C5H6N6O- 1 166.0609 0.36
+  166.0969 C6H10N6- 1 166.0972 -1.99
+  167.0811 C6H9N5O- 1 167.0813 -0.89
+  168.0771 C5H8N6O- 2 168.0765 3.26
+  171.1123 C6H13N5O- 1 171.1126 -1.25
+  172.0753 C9H8N4- 1 172.0754 -0.67
+  173.0706 C8H7N5- 1 173.0707 -0.7
+  174.0544 C8H6N4O- 1 174.0547 -1.5
+  174.0907 C9H10N4- 1 174.0911 -1.99
+  174.104 C10H12N3- 1 174.1037 1.93
+  179.081 C7H9N5O- 1 179.0813 -1.72
+  182.0927 C6H10N6O- 2 182.0922 2.76
+  184.0714 C5H8N6O2- 1 184.0714 -0.25
+  184.1074 C6H12N6O- 1 184.1078 -1.95
+  186.0544 C9H6N4O- 1 186.0547 -1.6
+  187.1075 C6H13N5O2- 1 187.1075 0.13
+  190.0976 C8H10N6- 1 190.0972 2.02
+  191.0812 C8H9N5O- 1 191.0813 -0.09
+  195.0758 C7H9N5O2- 3 195.0762 -1.94
+  196.1078 C7H12N6O- 1 196.1078 -0.24
+  197.0918 C7H11N5O2- 1 197.0918 -0.19
+  198.0542 C10H6N4O- 3 198.0547 -2.71
+  202.0861 C10H10N4O- 1 202.086 0.26
+  203.081 C9H9N5O- 1 203.0813 -1.14
+  204.0764 C8H8N6O- 1 204.0765 -0.37
+  205.0608 C8H7N5O2- 1 205.0605 1.24
+  212.1024 C7H12N6O2- 2 212.1027 -1.33
+  213.0656 C10H7N5O- 1 213.0656 0.05
+  214.1182 C7H14N6O2- 1 214.1184 -0.96
+  217.0966 C10H11N5O- 3 217.0969 -1.2
+  218.1171 C11H14N4O- 1 218.1173 -1.07
+  222.0868 C8H10N6O2- 2 222.0871 -1.24
+  234.123 C10H14N6O- 2 234.1235 -2.08
+  241.0597 C11H7N5O2- 3 241.0605 -3.47
+  242.081 C12H10N4O2- 1 242.0809 0.23
+  256.1081 C12H12N6O- 2 256.1078 1.04
+  260.1027 C11H12N6O2- 1 260.1027 0.01
+  261.0861 C11H11N5O3- 3 261.0867 -2.28
+  272.104 C12H12N6O2- 3 272.1027 4.6
+  293.1496 C13H19N5O3- 2 293.1493 1.03
+  294.1517 C7H24N3O9- 4 294.1518 -0.36
+  300.0978 C13H12N6O3- 3 300.0976 0.53
+  323.1396 C17H17N5O2- 4 323.1388 2.64
+  373.1877 C19H25N4O4- 6 373.1881 -1.12
+  383.1723 C20H23N4O4- 5 383.1725 -0.44
+  385.1516 C19H21N4O5- 5 385.1517 -0.31
+  387.2032 C20H27N4O4- 6 387.2038 -1.5
+  401.1826 C20H25N4O5- 5 401.183 -1.23
+  423.1916 C22H25N5O4- 5 423.1912 1
+  523.2191 C26H35O11- 7 523.2185 1.27
+PK$NUM_PEAK: 118
+PK$PEAK: m/z int. rel.int.
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+  423.1916 1273018.6 72
+  523.2191 598540.9 34
+//
diff --git a/Eawag/MSBNK-MLU-ED021456.txt b/Eawag/MSBNK-MLU-ED021456.txt
new file mode 100644
index 0000000000..a07e9301f6
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED021456.txt
@@ -0,0 +1,276 @@
+ACCESSION: MSBNK-MLU-ED021456
+RECORD_TITLE: Molassamide; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], W. H. Gerwick [dtc], R. Reher [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 214
+CH$NAME: Molassamide
+CH$NAME: (2S,3R)-N-[(2S,5S,8S,11R,12S,15Z,18S,21R)-2-benzyl-15-ethylidene-21-hydroxy-5-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]-2-[[(2S)-2-(butanoylamino)propanoyl]amino]-3-hydroxybutanamide
+CH$NAME: (2S,3R)-N-((2S,5S,8S,11R,12S,18S,21R,Z)-2-benzyl-15-ethylidene-21-hydroxy-5-(4-hydroxybenzyl)-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)-2-((S)-2-butyramidopropanamido)-3-hydroxybutanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C48H66N8O13
+CH$EXACT_MASS: 962.4749342
+CH$SMILES: C/C=C(NC1=O)/C(N[C@@H]2C(N([C@@H](CC3=CC=CC=C3)C(N(C)[C@H](C(N[C@@H](C(C)C)C(O[C@H](C)[C@@H]1NC([C@H]([C@@H](C)O)NC([C@H](C)NC(CCC)=O)=O)=O)=O)=O)CC4=CC=C(O)C=C4)=O)[C@H](O)CC2)=O)=O
+CH$IUPAC: InChI=1S/C48H66N8O13/c1-9-14-36(59)49-26(5)41(61)53-39(27(6)57)44(64)54-40-28(7)69-48(68)38(25(3)4)52-43(63)34(23-30-17-19-31(58)20-18-30)55(8)47(67)35(24-29-15-12-11-13-16-29)56-37(60)22-21-33(46(56)66)51-42(62)32(10-2)50-45(40)65/h10-13,15-20,25-28,33-35,37-40,57-58,60H,9,14,21-24H2,1-8H3,(H,49,59)(H,50,65)(H,51,62)(H,52,63)(H,53,61)(H,54,64)/b32-10-/t26-,27+,28+,33-,34-,35-,37+,38-,39-,40-/m0/s1
+CH$LINK: PUBCHEM CID:45379965
+CH$LINK: INCHIKEY KXSGCAPYMUMVSH-VFYPFKDGSA-N
+CH$LINK: CHEMSPIDER 24662743
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 66-1000
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.579 min
+MS$FOCUSED_ION: BASE_PEAK 961.4666
+MS$FOCUSED_ION: PRECURSOR_M/Z 961.4677
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 978545757.94
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-014r-2900000000-c81ccae3e52acf7b5f8b
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  70.0284 CH2N4- 1 70.0285 -0.72
+  71.0239 HN5- 1 71.0237 2.9
+  73.0394 H3N5- 1 73.0394 0.35
+  74.0235 H2N4O- 1 74.0234 0.75
+  82.0285 C2H2N4- 1 82.0285 -0.09
+  83.0238 CHN5- 1 83.0237 0.23
+  84.0078 CN4O- 1 84.0078 0.21
+  84.0442 C2H4N4- 1 84.0441 0.29
+  85.0393 CH3N5- 1 85.0394 -0.85
+  86.0598 C2H6N4- 1 86.0598 -0.08
+  87.0551 CH5N5- 1 87.055 0.21
+  93.0332 C4H3N3- 1 93.0332 -0.3
+  95.0236 C2HN5- 1 95.0237 -1
+  96.044 C3H4N4- 1 96.0441 -1.37
+  97.0394 C2H3N5- 1 97.0394 0.46
+  99.0187 CHN5O- 1 99.0187 0.17
+  99.0549 C2H5N5- 1 99.055 -1.53
+  100.0392 C2H4N4O- 1 100.0391 1.1
+  101.0344 CH3N5O- 1 101.0343 0.71
+  101.0706 C2H7N5- 1 101.0707 -1.26
+  106.0412 C5H4N3- 1 106.0411 0.91
+  107.049 C5H5N3- 1 107.0489 0.85
+  108.0441 C4H4N4- 1 108.0441 -0.09
+  109.0393 C3H3N5- 1 109.0394 -0.95
+  110.0233 C3H2N4O- 1 110.0234 -0.76
+  110.0471 C3H4N5- 1 110.0472 -0.82
+  111.0186 C2HN5O- 1 111.0187 -0.83
+  111.0551 C3H5N5- 1 111.055 0.54
+  112.0268 C2H2N5O- 1 112.0265 2.5
+  112.0391 C3H4N4O- 1 112.0391 0.16
+  112.0756 C4H8N4- 1 112.0754 1.38
+  113.0343 C2H3N5O- 1 113.0343 0.12
+  113.0707 C3H7N5- 1 113.0707 -0.09
+  116.0704 C3H8N4O- 1 116.0704 0.3
+  119.0489 C6H5N3- 1 119.0489 0.35
+  121.0394 C4H3N5- 1 121.0394 0.23
+  122.0233 C4H2N4O- 1 122.0234 -0.96
+  122.0599 C5H6N4- 1 122.0598 0.72
+  123.0549 C4H5N5- 1 123.055 -0.98
+  124.0392 C4H4N4O- 1 124.0391 0.81
+  124.0755 C5H8N4- 1 124.0754 0.06
+  125.0344 C3H3N5O- 1 125.0343 0.66
+  125.0705 C4H7N5- 1 125.0707 -1.79
+  126.066 C3H6N6- 1 126.0659 0.5
+  127.0499 C3H5N5O- 1 127.05 -0.3
+  130.0608 C2H6N6O- 1 130.0609 -0.31
+  135.0553 C5H5N5- 1 135.055 1.58
+  137.034 C4H3N5O- 1 137.0343 -2.47
+  137.0707 C5H7N5- 1 137.0707 0.36
+  138.0661 C4H6N6- 1 138.0659 0.99
+  139.0501 C4H5N5O- 1 139.05 1.2
+  139.0862 C5H9N5- 1 139.0863 -0.95
+  140.0704 C5H8N4O- 1 140.0704 0.14
+  141.0658 C4H7N5O- 1 141.0656 1.63
+  141.1021 C5H11N5- 1 141.102 0.81
+  142.0499 C4H6N4O2- 1 142.0496 1.94
+  143.1176 C5H13N5- 1 143.1176 -0.04
+  144.0766 C3H8N6O- 1 144.0765 0.63
+  145.0281 C7H3N3O- 1 145.0282 -0.45
+  147.0441 C7H5N3O- 1 147.0438 2.04
+  148.0758 C7H8N4- 1 148.0754 2.54
+  150.0665 C5H6N6- 2 150.0659 4.04
+  151.0866 C6H9N5- 1 151.0863 1.51
+  152.0704 C6H8N4O- 1 152.0704 -0.03
+  152.0812 C5H8N6- 1 152.0816 -2.46
+  153.029 C4H3N5O2- 1 153.0292 -1.51
+  153.0654 C5H7N5O- 1 153.0656 -1.07
+  153.1018 C6H11N5- 1 153.102 -1.13
+  156.0766 C4H8N6O- 1 156.0765 0.54
+  157.0971 C5H11N5O- 1 157.0969 1.04
+  158.0921 C4H10N6O- 1 158.0922 -0.35
+  159.08 C9H9N3- 1 159.0802 -1.2
+  160.0755 C8H8N4- 1 160.0754 0.3
+  161.0706 C7H7N5- 1 161.0707 -0.68
+  162.0547 C7H6N4O- 1 162.0547 -0.03
+  163.0388 C7H5N3O2- 1 163.0387 0.61
+  163.0858 C7H9N5- 2 163.0863 -3.3
+  164.0699 C7H8N4O- 1 164.0704 -2.55
+  165.0659 C6H7N5O- 1 165.0656 1.88
+  166.0609 C5H6N6O- 1 166.0609 0.46
+  168.0762 C5H8N6O- 1 168.0765 -1.65
+  169.0968 C6H11N5O- 1 169.0969 -0.71
+  170.0922 C5H10N6O- 1 170.0922 0.24
+  172.0751 C9H8N4- 1 172.0754 -1.73
+  173.0703 C8H7N5- 1 173.0707 -2.11
+  174.0908 C9H10N4- 1 174.0911 -1.55
+  174.104 C10H12N3- 1 174.1037 1.67
+  178.061 C6H6N6O- 1 178.0609 0.66
+  178.0976 C7H10N6- 1 178.0972 1.81
+  179.0448 C6H5N5O2- 1 179.0449 -0.65
+  179.0817 C7H9N5O- 2 179.0813 2.62
+  183.0875 C6H15O6- 2 183.0874 0.5
+  184.0716 C5H8N6O2- 1 184.0714 0.75
+  184.1078 C6H12N6O- 1 184.1078 0.2
+  186.0543 C9H6N4O- 3 186.0547 -2.34
+  187.1075 C6H13N5O2- 1 187.1075 -0.12
+  190.0972 C8H10N6- 1 190.0972 -0.46
+  191.0815 C8H9N5O- 1 191.0813 1.02
+  194.0805 C8H10N4O2- 3 194.0809 -2.22
+  195.0753 C7H9N5O2- 3 195.0762 -4.68
+  196.1078 C7H12N6O- 1 196.1078 0
+  198.0548 C10H6N4O- 1 198.0547 0.53
+  202.0858 C10H10N4O- 1 202.086 -1.1
+  202.1222 C11H14N4- 1 202.1224 -0.92
+  203.081 C9H9N5O- 1 203.0813 -1.29
+  204.0769 C8H8N6O- 2 204.0765 1.88
+  206.092 C8H10N6O- 1 206.0922 -0.64
+  213.0652 C10H7N5O- 3 213.0656 -2.1
+  214.1175 C7H14N6O2- 2 214.1184 -4.23
+  217.0965 C10H11N5O- 3 217.0969 -1.98
+  218.1173 C11H14N4O- 1 218.1173 -0.16
+  259.0708 C11H9N5O3- 3 259.0711 -0.94
+  260.1031 C11H12N6O2- 2 260.1027 1.3
+  293.1493 C13H19N5O3- 4 293.1493 -0.22
+  317.1593 C14H19N7O2- 4 317.1606 -3.86
+  385.1519 C19H21N4O5- 6 385.1517 0.4
+PK$NUM_PEAK: 116
+PK$PEAK: m/z int. rel.int.
+  70.0284 524710.4 27
+  71.0239 453066.6 23
+  73.0394 11865476 626
+  74.0235 669440.1 35
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+  83.0238 916641 48
+  84.0078 1963444.5 103
+  84.0442 392700.7 20
+  85.0393 2003076.8 105
+  86.0598 3756485.8 198
+  87.0551 3667864 193
+  93.0332 1795153.5 94
+  95.0236 859116.6 45
+  96.044 440165.4 23
+  97.0394 618539.9 32
+  99.0187 10699982 565
+  99.0549 2348260.2 124
+  100.0392 596231.9 31
+  101.0344 1559739.1 82
+  101.0706 1149280.2 60
+  106.0412 807250.1 42
+  107.049 2229394.5 117
+  108.0441 338887.6 17
+  109.0393 1682849.5 88
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+  111.0186 2307660 121
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+  112.0268 2381632 125
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+  112.0756 417892.7 22
+  113.0343 2334221.5 123
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+  204.0769 701304.2 37
+  206.092 355483.3 18
+  213.0652 450256.3 23
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+  259.0708 451827 23
+  260.1031 711648.1 37
+  293.1493 3103115 163
+  317.1593 850451.8 44
+  385.1519 689638.7 36
+//
diff --git a/Eawag/MSBNK-MLU-ED021457.txt b/Eawag/MSBNK-MLU-ED021457.txt
new file mode 100644
index 0000000000..e1495c00b6
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED021457.txt
@@ -0,0 +1,248 @@
+ACCESSION: MSBNK-MLU-ED021457
+RECORD_TITLE: Molassamide; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], W. H. Gerwick [dtc], R. Reher [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 214
+CH$NAME: Molassamide
+CH$NAME: (2S,3R)-N-[(2S,5S,8S,11R,12S,15Z,18S,21R)-2-benzyl-15-ethylidene-21-hydroxy-5-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]-2-[[(2S)-2-(butanoylamino)propanoyl]amino]-3-hydroxybutanamide
+CH$NAME: (2S,3R)-N-((2S,5S,8S,11R,12S,18S,21R,Z)-2-benzyl-15-ethylidene-21-hydroxy-5-(4-hydroxybenzyl)-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)-2-((S)-2-butyramidopropanamido)-3-hydroxybutanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C48H66N8O13
+CH$EXACT_MASS: 962.4749342
+CH$SMILES: C/C=C(NC1=O)/C(N[C@@H]2C(N([C@@H](CC3=CC=CC=C3)C(N(C)[C@H](C(N[C@@H](C(C)C)C(O[C@H](C)[C@@H]1NC([C@H]([C@@H](C)O)NC([C@H](C)NC(CCC)=O)=O)=O)=O)=O)CC4=CC=C(O)C=C4)=O)[C@H](O)CC2)=O)=O
+CH$IUPAC: InChI=1S/C48H66N8O13/c1-9-14-36(59)49-26(5)41(61)53-39(27(6)57)44(64)54-40-28(7)69-48(68)38(25(3)4)52-43(63)34(23-30-17-19-31(58)20-18-30)55(8)47(67)35(24-29-15-12-11-13-16-29)56-37(60)22-21-33(46(56)66)51-42(62)32(10-2)50-45(40)65/h10-13,15-20,25-28,33-35,37-40,57-58,60H,9,14,21-24H2,1-8H3,(H,49,59)(H,50,65)(H,51,62)(H,52,63)(H,53,61)(H,54,64)/b32-10-/t26-,27+,28+,33-,34-,35-,37+,38-,39-,40-/m0/s1
+CH$LINK: PUBCHEM CID:45379965
+CH$LINK: INCHIKEY KXSGCAPYMUMVSH-VFYPFKDGSA-N
+CH$LINK: CHEMSPIDER 24662743
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 66-1000
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.579 min
+MS$FOCUSED_ION: BASE_PEAK 961.4666
+MS$FOCUSED_ION: PRECURSOR_M/Z 961.4677
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 978545757.94
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-01bi-3900000000-c444b87676df281690d0
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  69.0333 C2H3N3- 1 69.0332 1.3
+  70.0286 CH2N4- 1 70.0285 1.89
+  71.0239 HN5- 1 71.0237 1.5
+  72.0079 N4O- 1 72.0078 1.9
+  73.0394 H3N5- 1 73.0394 0.35
+  74.0236 H2N4O- 1 74.0234 2.81
+  82.0285 C2H2N4- 1 82.0285 0.66
+  83.0238 CHN5- 1 83.0237 0.42
+  84.0077 CN4O- 1 84.0078 -0.34
+  84.0439 C2H4N4- 1 84.0441 -2.34
+  85.0394 CH3N5- 1 85.0394 0.41
+  86.0599 C2H6N4- 1 86.0598 0.72
+  87.0551 CH5N5- 1 87.055 0.65
+  88.039 CH4N4O- 1 88.0391 -0.95
+  93.0332 C4H3N3- 1 93.0332 -0.14
+  94.0286 C3H2N4- 1 94.0285 0.6
+  95.0238 C2HN5- 1 95.0237 0.44
+  96.0441 C3H4N4- 1 96.0441 -0.81
+  97.0395 C2H3N5- 1 97.0394 0.69
+  99.0187 CHN5O- 1 99.0187 0.87
+  99.0551 C2H5N5- 1 99.055 0.7
+  101.0343 CH3N5O- 1 101.0343 0.11
+  101.0706 C2H7N5- 1 101.0707 -0.88
+  106.0409 C5H4N3- 1 106.0411 -1.68
+  107.0491 C5H5N3- 1 107.0489 1.84
+  108.0077 C3N4O- 1 108.0078 -0.37
+  109.0395 C3H3N5- 1 109.0394 1.08
+  110.0111 C2N5O- 1 110.0108 2.11
+  110.0234 C3H2N4O- 1 110.0234 -0.42
+  110.0472 C3H4N5- 1 110.0472 -0.61
+  111.0187 C2HN5O- 1 111.0187 0.07
+  111.0549 C3H5N5- 1 111.055 -1.04
+  112.0265 C2H2N5O- 1 112.0265 0.32
+  112.039 C3H4N4O- 1 112.0391 -0.52
+  112.0502 C2H4N6- 1 112.0503 -0.68
+  112.0752 C4H8N4- 1 112.0754 -1.89
+  113.0343 C2H3N5O- 1 113.0343 -0.15
+  113.0707 C3H7N5- 1 113.0707 0.38
+  116.0704 C3H8N4O- 1 116.0704 0.56
+  117.0332 C6H3N3- 1 117.0332 -0.72
+  119.049 C6H5N3- 1 119.0489 0.8
+  121.0395 C4H3N5- 1 121.0394 0.61
+  122.0238 C4H2N4O- 1 122.0234 3.42
+  122.0596 C5H6N4- 1 122.0598 -1.59
+  123.055 C4H5N5- 1 123.055 -0.36
+  124.0266 C3H2N5O- 1 124.0265 0.59
+  125.0344 C3H3N5O- 1 125.0343 1.03
+  125.0706 C4H7N5- 1 125.0707 -0.99
+  126.0661 C3H6N6- 1 126.0659 0.99
+  127.0501 C3H5N5O- 1 127.05 1.02
+  130.0607 C2H6N6O- 1 130.0609 -1.49
+  135.0549 C5H5N5- 1 135.055 -1.36
+  137.0345 C4H3N5O- 1 137.0343 1.32
+  137.0709 C5H7N5- 1 137.0707 1.7
+  138.042 C4H4N5O- 1 138.0421 -0.84
+  138.0659 C4H6N6- 1 138.0659 -0.22
+  139.0501 C4H5N5O- 1 139.05 1.2
+  139.0864 C5H9N5- 1 139.0863 0.15
+  140.0707 C5H8N4O- 1 140.0704 2.21
+  141.0658 C4H7N5O- 1 141.0656 1.52
+  141.1021 C5H11N5- 1 141.102 0.7
+  142.0495 C4H6N4O2- 1 142.0496 -1.07
+  143.1176 C5H13N5- 1 143.1176 -0.15
+  144.0766 C3H8N6O- 1 144.0765 0.63
+  145.0283 C7H3N3O- 1 145.0282 1.02
+  147.0439 C7H5N3O- 1 147.0438 0.79
+  147.0544 C6H5N5- 2 147.055 -4.42
+  148.0755 C7H8N4- 1 148.0754 0.58
+  149.0708 C6H7N5- 1 149.0707 0.94
+  151.0501 C5H5N5O- 1 151.05 1.16
+  151.0865 C6H9N5- 1 151.0863 1.1
+  153.0287 C4H3N5O2- 1 153.0292 -3.11
+  153.0655 C5H7N5O- 1 153.0656 -0.78
+  153.1018 C6H11N5- 1 153.102 -1.03
+  154.0734 C5H8N5O- 1 154.0734 -0.44
+  156.0766 C4H8N6O- 1 156.0765 0.54
+  157.097 C5H11N5O- 1 157.0969 0.46
+  159.0682 C8H7N4- 2 159.0676 3.71
+  159.0801 C9H9N3- 1 159.0802 -0.34
+  160.0755 C8H8N4- 1 160.0754 0.49
+  161.0706 C7H7N5- 1 161.0707 -0.4
+  162.0547 C7H6N4O- 1 162.0547 0.15
+  163.0388 C7H5N3O2- 1 163.0387 0.61
+  164.0822 C8H10N3O- 2 164.0829 -4.33
+  165.0655 C6H7N5O- 1 165.0656 -0.81
+  169.0967 C6H11N5O- 1 169.0969 -1.34
+  170.0922 C5H10N6O- 1 170.0922 0.42
+  172.0753 C9H8N4- 1 172.0754 -0.58
+  174.0548 C8H6N4O- 1 174.0547 0.43
+  178.0607 C6H6N6O- 1 178.0609 -0.88
+  178.0966 C7H10N6- 2 178.0972 -3.68
+  179.0447 C6H5N5O2- 1 179.0449 -0.82
+  186.0546 C9H6N4O- 1 186.0547 -0.37
+  187.1075 C6H13N5O2- 1 187.1075 0.29
+  196.1079 C7H12N6O- 1 196.1078 0.62
+  198.055 C10H6N4O- 1 198.0547 1.22
+  203.0812 C9H9N5O- 1 203.0813 -0.17
+  204.0769 C8H8N6O- 2 204.0765 1.8
+  209.103 C7H11N7O- 2 209.1031 -0.16
+  217.0974 C10H11N5O- 2 217.0969 2.1
+  218.1177 C11H14N4O- 2 218.1173 1.59
+  293.1491 C13H19N5O3- 3 293.1493 -0.85
+PK$NUM_PEAK: 102
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+  110.0472 830504.9 48
+  111.0187 2519291.8 147
+  111.0549 2189734.8 128
+  112.0265 3577830.5 209
+  112.039 577644.4 33
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+  112.0752 544136.1 31
+  113.0343 1790037.6 104
+  113.0707 1321835.4 77
+  116.0704 15386741 899
+  117.0332 369164.8 21
+  119.049 10525039 615
+  121.0395 902365.6 52
+  122.0238 530880 31
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+  123.055 736410.2 43
+  124.0266 430229.7 25
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+  125.0706 947745.3 55
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+  130.0607 1064699.2 62
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+  138.042 530011.2 30
+  138.0659 1606456.1 93
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+  140.0707 556056.6 32
+  141.0658 1010690.7 59
+  141.1021 1637608.4 95
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+  154.0734 593516.7 34
+  156.0766 2773123.2 162
+  157.097 1834505.4 107
+  159.0682 241200.6 14
+  159.0801 1017678.6 59
+  160.0755 6351135 371
+  161.0706 620083.9 36
+  162.0547 1861782.2 108
+  163.0388 459614.4 26
+  164.0822 256822.8 15
+  165.0655 648855.9 37
+  169.0967 614086.4 35
+  170.0922 750895 43
+  172.0753 300381 17
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+  178.0607 603529.8 35
+  178.0966 282055.1 16
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+  186.0546 640714.9 37
+  187.1075 311764 18
+  196.1079 1009023.8 59
+  198.055 305398.9 17
+  203.0812 902310.6 52
+  204.0769 296616 17
+  209.103 276440.8 16
+  217.0974 493198.1 28
+  218.1177 1171718.2 68
+  293.1491 367864.6 21
+//
diff --git a/Eawag/MSBNK-MLU-ED024851.txt b/Eawag/MSBNK-MLU-ED024851.txt
new file mode 100644
index 0000000000..39541ccdcd
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED024851.txt
@@ -0,0 +1,46 @@
+ACCESSION: MSBNK-MLU-ED024851
+RECORD_TITLE: Tjipanazol D; LC-ESI-QFT; MS2; CE: 15%; R=17500; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], T. Chilczuk [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 248
+CH$NAME: Tjipanazol D
+CH$NAME: Tjipanazole D
+CH$NAME: 3,8-dichloro-11,12-dihydroindolo[2,3-a]carbazole
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C18H10Cl2N2
+CH$EXACT_MASS: 324.0221037
+CH$SMILES: ClC1=CC2=C(C=C1)NC3=C2C=CC4=C3NC5=C4C=C(Cl)C=C5
+CH$IUPAC: InChI=1S/C18H10Cl2N2/c19-9-1-5-15-13(7-9)11-3-4-12-14-8-10(20)2-6-16(14)22-18(12)17(11)21-15/h1-8,21-22H
+CH$LINK: PUBCHEM CID:10087661
+CH$LINK: INCHIKEY NNZIVRYPHRMPQM-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 8263198
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-345
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.923 min
+MS$FOCUSED_ION: BASE_PEAK 323.0149
+MS$FOCUSED_ION: PRECURSOR_M/Z 323.0148
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 14553995.21
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00di-0009000000-7eaaca1293c7be286c86
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  323.0151 C18H9Cl2N2- 1 323.0148 0.93
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  323.0151 8872300 999
+//
diff --git a/Eawag/MSBNK-MLU-ED024852.txt b/Eawag/MSBNK-MLU-ED024852.txt
new file mode 100644
index 0000000000..051c5e2843
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED024852.txt
@@ -0,0 +1,46 @@
+ACCESSION: MSBNK-MLU-ED024852
+RECORD_TITLE: Tjipanazol D; LC-ESI-QFT; MS2; CE: 20%; R=17500; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], T. Chilczuk [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 248
+CH$NAME: Tjipanazol D
+CH$NAME: Tjipanazole D
+CH$NAME: 3,8-dichloro-11,12-dihydroindolo[2,3-a]carbazole
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C18H10Cl2N2
+CH$EXACT_MASS: 324.0221037
+CH$SMILES: ClC1=CC2=C(C=C1)NC3=C2C=CC4=C3NC5=C4C=C(Cl)C=C5
+CH$IUPAC: InChI=1S/C18H10Cl2N2/c19-9-1-5-15-13(7-9)11-3-4-12-14-8-10(20)2-6-16(14)22-18(12)17(11)21-15/h1-8,21-22H
+CH$LINK: PUBCHEM CID:10087661
+CH$LINK: INCHIKEY NNZIVRYPHRMPQM-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 8263198
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-345
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.923 min
+MS$FOCUSED_ION: BASE_PEAK 323.0149
+MS$FOCUSED_ION: PRECURSOR_M/Z 323.0148
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 14553995.21
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00di-0009000000-b2c40bfca3dddb107333
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  323.0149 C18H9Cl2N2- 1 323.0148 0.17
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  323.0149 8172696.5 999
+//
diff --git a/Eawag/MSBNK-MLU-ED024853.txt b/Eawag/MSBNK-MLU-ED024853.txt
new file mode 100644
index 0000000000..d03cc90dd9
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED024853.txt
@@ -0,0 +1,46 @@
+ACCESSION: MSBNK-MLU-ED024853
+RECORD_TITLE: Tjipanazol D; LC-ESI-QFT; MS2; CE: 25%; R=17500; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], T. Chilczuk [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 248
+CH$NAME: Tjipanazol D
+CH$NAME: Tjipanazole D
+CH$NAME: 3,8-dichloro-11,12-dihydroindolo[2,3-a]carbazole
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C18H10Cl2N2
+CH$EXACT_MASS: 324.0221037
+CH$SMILES: ClC1=CC2=C(C=C1)NC3=C2C=CC4=C3NC5=C4C=C(Cl)C=C5
+CH$IUPAC: InChI=1S/C18H10Cl2N2/c19-9-1-5-15-13(7-9)11-3-4-12-14-8-10(20)2-6-16(14)22-18(12)17(11)21-15/h1-8,21-22H
+CH$LINK: PUBCHEM CID:10087661
+CH$LINK: INCHIKEY NNZIVRYPHRMPQM-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 8263198
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-345
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.923 min
+MS$FOCUSED_ION: BASE_PEAK 323.0149
+MS$FOCUSED_ION: PRECURSOR_M/Z 323.0148
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 14553995.21
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00di-0009000000-b2c40bfca3dddb107333
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  323.0149 C18H9Cl2N2- 1 323.0148 0.17
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  323.0149 11471980 999
+//
diff --git a/Eawag/MSBNK-MLU-ED024854.txt b/Eawag/MSBNK-MLU-ED024854.txt
new file mode 100644
index 0000000000..5296908398
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED024854.txt
@@ -0,0 +1,46 @@
+ACCESSION: MSBNK-MLU-ED024854
+RECORD_TITLE: Tjipanazol D; LC-ESI-QFT; MS2; CE: 30%; R=17500; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], T. Chilczuk [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 248
+CH$NAME: Tjipanazol D
+CH$NAME: Tjipanazole D
+CH$NAME: 3,8-dichloro-11,12-dihydroindolo[2,3-a]carbazole
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C18H10Cl2N2
+CH$EXACT_MASS: 324.0221037
+CH$SMILES: ClC1=CC2=C(C=C1)NC3=C2C=CC4=C3NC5=C4C=C(Cl)C=C5
+CH$IUPAC: InChI=1S/C18H10Cl2N2/c19-9-1-5-15-13(7-9)11-3-4-12-14-8-10(20)2-6-16(14)22-18(12)17(11)21-15/h1-8,21-22H
+CH$LINK: PUBCHEM CID:10087661
+CH$LINK: INCHIKEY NNZIVRYPHRMPQM-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 8263198
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-345
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.923 min
+MS$FOCUSED_ION: BASE_PEAK 323.0149
+MS$FOCUSED_ION: PRECURSOR_M/Z 323.0148
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 14553995.21
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00di-0009000000-b2c40bfca3dddb107333
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  323.0149 C18H9Cl2N2- 1 323.0148 0.08
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  323.0149 9076378 999
+//
diff --git a/Eawag/MSBNK-MLU-ED024855.txt b/Eawag/MSBNK-MLU-ED024855.txt
new file mode 100644
index 0000000000..85452eb299
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED024855.txt
@@ -0,0 +1,48 @@
+ACCESSION: MSBNK-MLU-ED024855
+RECORD_TITLE: Tjipanazol D; LC-ESI-QFT; MS2; CE: 40%; R=17500; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], T. Chilczuk [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 248
+CH$NAME: Tjipanazol D
+CH$NAME: Tjipanazole D
+CH$NAME: 3,8-dichloro-11,12-dihydroindolo[2,3-a]carbazole
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C18H10Cl2N2
+CH$EXACT_MASS: 324.0221037
+CH$SMILES: ClC1=CC2=C(C=C1)NC3=C2C=CC4=C3NC5=C4C=C(Cl)C=C5
+CH$IUPAC: InChI=1S/C18H10Cl2N2/c19-9-1-5-15-13(7-9)11-3-4-12-14-8-10(20)2-6-16(14)22-18(12)17(11)21-15/h1-8,21-22H
+CH$LINK: PUBCHEM CID:10087661
+CH$LINK: INCHIKEY NNZIVRYPHRMPQM-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 8263198
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-345
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.923 min
+MS$FOCUSED_ION: BASE_PEAK 323.0149
+MS$FOCUSED_ION: PRECURSOR_M/Z 323.0148
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 14553995.21
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00di-0009000000-9c12cd44244bb24ac292
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  287.0383 C18H8ClN2- 1 287.0381 0.55
+  323.015 C18H9Cl2N2- 1 323.0148 0.46
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  287.0383 327659.7 31
+  323.015 10316271 999
+//
diff --git a/Eawag/MSBNK-MLU-ED024856.txt b/Eawag/MSBNK-MLU-ED024856.txt
new file mode 100644
index 0000000000..e44e5accc9
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED024856.txt
@@ -0,0 +1,50 @@
+ACCESSION: MSBNK-MLU-ED024856
+RECORD_TITLE: Tjipanazol D; LC-ESI-QFT; MS2; CE: 50%; R=17500; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], T. Chilczuk [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 248
+CH$NAME: Tjipanazol D
+CH$NAME: Tjipanazole D
+CH$NAME: 3,8-dichloro-11,12-dihydroindolo[2,3-a]carbazole
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C18H10Cl2N2
+CH$EXACT_MASS: 324.0221037
+CH$SMILES: ClC1=CC2=C(C=C1)NC3=C2C=CC4=C3NC5=C4C=C(Cl)C=C5
+CH$IUPAC: InChI=1S/C18H10Cl2N2/c19-9-1-5-15-13(7-9)11-3-4-12-14-8-10(20)2-6-16(14)22-18(12)17(11)21-15/h1-8,21-22H
+CH$LINK: PUBCHEM CID:10087661
+CH$LINK: INCHIKEY NNZIVRYPHRMPQM-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 8263198
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-345
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.923 min
+MS$FOCUSED_ION: BASE_PEAK 323.0149
+MS$FOCUSED_ION: PRECURSOR_M/Z 323.0148
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 14553995.21
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00di-0019000000-897185ecd2c005b66ec5
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  287.0383 C18H8ClN2- 1 287.0381 0.55
+  322.0071 C18H8Cl2N2- 1 322.007 0.21
+  323.0149 C18H9Cl2N2- 1 323.0148 0.36
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  287.0383 973026.4 225
+  322.0071 290032.6 67
+  323.0149 4310504 999
+//
diff --git a/Eawag/MSBNK-MLU-ED024857.txt b/Eawag/MSBNK-MLU-ED024857.txt
new file mode 100644
index 0000000000..b727a653d7
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED024857.txt
@@ -0,0 +1,54 @@
+ACCESSION: MSBNK-MLU-ED024857
+RECORD_TITLE: Tjipanazol D; LC-ESI-QFT; MS2; CE: 60%; R=17500; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], T. Chilczuk [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 248
+CH$NAME: Tjipanazol D
+CH$NAME: Tjipanazole D
+CH$NAME: 3,8-dichloro-11,12-dihydroindolo[2,3-a]carbazole
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C18H10Cl2N2
+CH$EXACT_MASS: 324.0221037
+CH$SMILES: ClC1=CC2=C(C=C1)NC3=C2C=CC4=C3NC5=C4C=C(Cl)C=C5
+CH$IUPAC: InChI=1S/C18H10Cl2N2/c19-9-1-5-15-13(7-9)11-3-4-12-14-8-10(20)2-6-16(14)22-18(12)17(11)21-15/h1-8,21-22H
+CH$LINK: PUBCHEM CID:10087661
+CH$LINK: INCHIKEY NNZIVRYPHRMPQM-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 8263198
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-345
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.923 min
+MS$FOCUSED_ION: BASE_PEAK 323.0149
+MS$FOCUSED_ION: PRECURSOR_M/Z 323.0148
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 14553995.21
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00dr-0079000000-8923363dc67a02ef6889
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  251.0622 C18H7N2- 1 251.0615 2.87
+  286.0308 C18H7ClN2- 1 286.0303 1.59
+  287.0384 C18H8ClN2- 1 287.0381 0.87
+  322.0072 C18H8Cl2N2- 1 322.007 0.59
+  323.015 C18H9Cl2N2- 1 323.0148 0.55
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  251.0622 37461 16
+  286.0308 75870 33
+  287.0384 2210904 973
+  322.0072 596833.8 262
+  323.015 2268351.5 999
+//
diff --git a/Eawag/MSBNK-MLU-ED024858.txt b/Eawag/MSBNK-MLU-ED024858.txt
new file mode 100644
index 0000000000..741bce5f9a
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED024858.txt
@@ -0,0 +1,54 @@
+ACCESSION: MSBNK-MLU-ED024858
+RECORD_TITLE: Tjipanazol D; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], T. Chilczuk [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 248
+CH$NAME: Tjipanazol D
+CH$NAME: Tjipanazole D
+CH$NAME: 3,8-dichloro-11,12-dihydroindolo[2,3-a]carbazole
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C18H10Cl2N2
+CH$EXACT_MASS: 324.0221037
+CH$SMILES: ClC1=CC2=C(C=C1)NC3=C2C=CC4=C3NC5=C4C=C(Cl)C=C5
+CH$IUPAC: InChI=1S/C18H10Cl2N2/c19-9-1-5-15-13(7-9)11-3-4-12-14-8-10(20)2-6-16(14)22-18(12)17(11)21-15/h1-8,21-22H
+CH$LINK: PUBCHEM CID:10087661
+CH$LINK: INCHIKEY NNZIVRYPHRMPQM-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 8263198
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-345
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.923 min
+MS$FOCUSED_ION: BASE_PEAK 323.0149
+MS$FOCUSED_ION: PRECURSOR_M/Z 323.0148
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 14553995.21
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-000i-0093000000-6914eceec9c251082502
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  251.0615 C18H7N2- 1 251.0615 -0.04
+  286.0305 C18H7ClN2- 1 286.0303 0.63
+  287.0383 C18H8ClN2- 1 287.0381 0.55
+  322.0072 C18H8Cl2N2- 1 322.007 0.59
+  323.0151 C18H9Cl2N2- 1 323.0148 0.74
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  251.0615 101780 82
+  286.0305 164518.4 133
+  287.0383 1232645.1 999
+  322.0072 346417.9 280
+  323.0151 317270.6 257
+//
diff --git a/Eawag/MSBNK-MLU-ED024859.txt b/Eawag/MSBNK-MLU-ED024859.txt
new file mode 100644
index 0000000000..482bfd7a66
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED024859.txt
@@ -0,0 +1,54 @@
+ACCESSION: MSBNK-MLU-ED024859
+RECORD_TITLE: Tjipanazol D; LC-ESI-QFT; MS2; CE: 80%; R=17500; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], T. Chilczuk [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 248
+CH$NAME: Tjipanazol D
+CH$NAME: Tjipanazole D
+CH$NAME: 3,8-dichloro-11,12-dihydroindolo[2,3-a]carbazole
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C18H10Cl2N2
+CH$EXACT_MASS: 324.0221037
+CH$SMILES: ClC1=CC2=C(C=C1)NC3=C2C=CC4=C3NC5=C4C=C(Cl)C=C5
+CH$IUPAC: InChI=1S/C18H10Cl2N2/c19-9-1-5-15-13(7-9)11-3-4-12-14-8-10(20)2-6-16(14)22-18(12)17(11)21-15/h1-8,21-22H
+CH$LINK: PUBCHEM CID:10087661
+CH$LINK: INCHIKEY NNZIVRYPHRMPQM-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 8263198
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-345
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.923 min
+MS$FOCUSED_ION: BASE_PEAK 323.0149
+MS$FOCUSED_ION: PRECURSOR_M/Z 323.0148
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 14553995.21
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-000i-0091000000-33db9a710ff0a704f3c7
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  251.0618 C18H7N2- 1 251.0615 1.17
+  286.0305 C18H7ClN2- 1 286.0303 0.63
+  287.0385 C18H8ClN2- 1 287.0381 1.18
+  322.0073 C18H8Cl2N2- 1 322.007 0.97
+  323.0149 C18H9Cl2N2- 1 323.0148 0.27
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  251.0618 236282.7 309
+  286.0305 327644.9 428
+  287.0385 763089.8 999
+  322.0073 181611 237
+  323.0149 58634.1 76
+//
diff --git a/Eawag/MSBNK-MLU-ED025551.txt b/Eawag/MSBNK-MLU-ED025551.txt
new file mode 100644
index 0000000000..6c4043e004
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED025551.txt
@@ -0,0 +1,46 @@
+ACCESSION: MSBNK-MLU-ED025551
+RECORD_TITLE: Tjipanazol I; LC-ESI-QFT; MS2; CE: 15%; R=17500; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], T. Chilczuk [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 255
+CH$NAME: Tjipanazol I
+CH$NAME: Tjipanazole I
+CH$NAME: 3-chloro-11,12-dihydroindolo[2,3-a]carbazole
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C18H11ClN2
+CH$EXACT_MASS: 290.061076
+CH$SMILES: ClC(C=C1)=CC2=C1NC3=C2C=CC4=C3NC5=C4C=CC=C5
+CH$IUPAC: InChI=1S/C18H11ClN2/c19-10-5-8-16-14(9-10)13-7-6-12-11-3-1-2-4-15(11)20-17(12)18(13)21-16/h1-9,20-21H
+CH$LINK: PUBCHEM CID:10755969
+CH$LINK: INCHIKEY FTMOEUBKRZXYEX-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 8931290
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-315
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.803 min
+MS$FOCUSED_ION: BASE_PEAK 289.0538
+MS$FOCUSED_ION: PRECURSOR_M/Z 289.0538
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 5895580.18
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-000i-0090000000-f2060cab94e4445fae7d
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  289.0537 C18H10ClN2- 1 289.0538 -0.35
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  289.0537 2915285.8 999
+//
diff --git a/Eawag/MSBNK-MLU-ED025552.txt b/Eawag/MSBNK-MLU-ED025552.txt
new file mode 100644
index 0000000000..8611c7fd96
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED025552.txt
@@ -0,0 +1,46 @@
+ACCESSION: MSBNK-MLU-ED025552
+RECORD_TITLE: Tjipanazol I; LC-ESI-QFT; MS2; CE: 20%; R=17500; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], T. Chilczuk [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 255
+CH$NAME: Tjipanazol I
+CH$NAME: Tjipanazole I
+CH$NAME: 3-chloro-11,12-dihydroindolo[2,3-a]carbazole
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C18H11ClN2
+CH$EXACT_MASS: 290.061076
+CH$SMILES: ClC(C=C1)=CC2=C1NC3=C2C=CC4=C3NC5=C4C=CC=C5
+CH$IUPAC: InChI=1S/C18H11ClN2/c19-10-5-8-16-14(9-10)13-7-6-12-11-3-1-2-4-15(11)20-17(12)18(13)21-16/h1-9,20-21H
+CH$LINK: PUBCHEM CID:10755969
+CH$LINK: INCHIKEY FTMOEUBKRZXYEX-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 8931290
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-315
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.803 min
+MS$FOCUSED_ION: BASE_PEAK 289.0538
+MS$FOCUSED_ION: PRECURSOR_M/Z 289.0538
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 5895580.18
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-000i-0090000000-f2060cab94e4445fae7d
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  289.0537 C18H10ClN2- 1 289.0538 -0.24
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  289.0537 3913751.8 999
+//
diff --git a/Eawag/MSBNK-MLU-ED025553.txt b/Eawag/MSBNK-MLU-ED025553.txt
new file mode 100644
index 0000000000..d12443528a
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED025553.txt
@@ -0,0 +1,46 @@
+ACCESSION: MSBNK-MLU-ED025553
+RECORD_TITLE: Tjipanazol I; LC-ESI-QFT; MS2; CE: 25%; R=17500; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], T. Chilczuk [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 255
+CH$NAME: Tjipanazol I
+CH$NAME: Tjipanazole I
+CH$NAME: 3-chloro-11,12-dihydroindolo[2,3-a]carbazole
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C18H11ClN2
+CH$EXACT_MASS: 290.061076
+CH$SMILES: ClC(C=C1)=CC2=C1NC3=C2C=CC4=C3NC5=C4C=CC=C5
+CH$IUPAC: InChI=1S/C18H11ClN2/c19-10-5-8-16-14(9-10)13-7-6-12-11-3-1-2-4-15(11)20-17(12)18(13)21-16/h1-9,20-21H
+CH$LINK: PUBCHEM CID:10755969
+CH$LINK: INCHIKEY FTMOEUBKRZXYEX-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 8931290
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-315
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.803 min
+MS$FOCUSED_ION: BASE_PEAK 289.0538
+MS$FOCUSED_ION: PRECURSOR_M/Z 289.0538
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 5895580.18
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-000i-0090000000-389875e48ce4ba866fcb
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  289.0538 C18H10ClN2- 1 289.0538 -0.14
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  289.0538 2694573.2 999
+//
diff --git a/Eawag/MSBNK-MLU-ED025554.txt b/Eawag/MSBNK-MLU-ED025554.txt
new file mode 100644
index 0000000000..4379dbeede
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED025554.txt
@@ -0,0 +1,46 @@
+ACCESSION: MSBNK-MLU-ED025554
+RECORD_TITLE: Tjipanazol I; LC-ESI-QFT; MS2; CE: 30%; R=17500; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], T. Chilczuk [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 255
+CH$NAME: Tjipanazol I
+CH$NAME: Tjipanazole I
+CH$NAME: 3-chloro-11,12-dihydroindolo[2,3-a]carbazole
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C18H11ClN2
+CH$EXACT_MASS: 290.061076
+CH$SMILES: ClC(C=C1)=CC2=C1NC3=C2C=CC4=C3NC5=C4C=CC=C5
+CH$IUPAC: InChI=1S/C18H11ClN2/c19-10-5-8-16-14(9-10)13-7-6-12-11-3-1-2-4-15(11)20-17(12)18(13)21-16/h1-9,20-21H
+CH$LINK: PUBCHEM CID:10755969
+CH$LINK: INCHIKEY FTMOEUBKRZXYEX-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 8931290
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-315
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.803 min
+MS$FOCUSED_ION: BASE_PEAK 289.0538
+MS$FOCUSED_ION: PRECURSOR_M/Z 289.0538
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 5895580.18
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-000i-0090000000-389875e48ce4ba866fcb
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  289.0538 C18H10ClN2- 1 289.0538 -0.14
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  289.0538 3932329 999
+//
diff --git a/Eawag/MSBNK-MLU-ED025555.txt b/Eawag/MSBNK-MLU-ED025555.txt
new file mode 100644
index 0000000000..720874e3ae
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED025555.txt
@@ -0,0 +1,48 @@
+ACCESSION: MSBNK-MLU-ED025555
+RECORD_TITLE: Tjipanazol I; LC-ESI-QFT; MS2; CE: 40%; R=17500; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], T. Chilczuk [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 255
+CH$NAME: Tjipanazol I
+CH$NAME: Tjipanazole I
+CH$NAME: 3-chloro-11,12-dihydroindolo[2,3-a]carbazole
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C18H11ClN2
+CH$EXACT_MASS: 290.061076
+CH$SMILES: ClC(C=C1)=CC2=C1NC3=C2C=CC4=C3NC5=C4C=CC=C5
+CH$IUPAC: InChI=1S/C18H11ClN2/c19-10-5-8-16-14(9-10)13-7-6-12-11-3-1-2-4-15(11)20-17(12)18(13)21-16/h1-9,20-21H
+CH$LINK: PUBCHEM CID:10755969
+CH$LINK: INCHIKEY FTMOEUBKRZXYEX-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 8931290
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-315
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.803 min
+MS$FOCUSED_ION: BASE_PEAK 289.0538
+MS$FOCUSED_ION: PRECURSOR_M/Z 289.0538
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 5895580.18
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-000i-0090000000-c3ccdaa336f763de558c
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  253.0771 C18H9N2- 1 253.0771 -0.03
+  289.0537 C18H10ClN2- 1 289.0538 -0.24
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  253.0771 53778 17
+  289.0537 3019707.8 999
+//
diff --git a/Eawag/MSBNK-MLU-ED025556.txt b/Eawag/MSBNK-MLU-ED025556.txt
new file mode 100644
index 0000000000..bb0e95e80c
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED025556.txt
@@ -0,0 +1,50 @@
+ACCESSION: MSBNK-MLU-ED025556
+RECORD_TITLE: Tjipanazol I; LC-ESI-QFT; MS2; CE: 50%; R=17500; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], T. Chilczuk [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 255
+CH$NAME: Tjipanazol I
+CH$NAME: Tjipanazole I
+CH$NAME: 3-chloro-11,12-dihydroindolo[2,3-a]carbazole
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C18H11ClN2
+CH$EXACT_MASS: 290.061076
+CH$SMILES: ClC(C=C1)=CC2=C1NC3=C2C=CC4=C3NC5=C4C=CC=C5
+CH$IUPAC: InChI=1S/C18H11ClN2/c19-10-5-8-16-14(9-10)13-7-6-12-11-3-1-2-4-15(11)20-17(12)18(13)21-16/h1-9,20-21H
+CH$LINK: PUBCHEM CID:10755969
+CH$LINK: INCHIKEY FTMOEUBKRZXYEX-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 8931290
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-315
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.803 min
+MS$FOCUSED_ION: BASE_PEAK 289.0538
+MS$FOCUSED_ION: PRECURSOR_M/Z 289.0538
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 5895580.18
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-000i-0090000000-63976f40298ce5619ade
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  253.0772 C18H9N2- 1 253.0771 0.21
+  288.0461 C18H9ClN2- 1 288.046 0.47
+  289.0538 C18H10ClN2- 1 289.0538 -0.14
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  253.0772 342469 119
+  288.0461 123318.7 43
+  289.0538 2856322.5 999
+//
diff --git a/Eawag/MSBNK-MLU-ED025557.txt b/Eawag/MSBNK-MLU-ED025557.txt
new file mode 100644
index 0000000000..f2f5406343
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED025557.txt
@@ -0,0 +1,52 @@
+ACCESSION: MSBNK-MLU-ED025557
+RECORD_TITLE: Tjipanazol I; LC-ESI-QFT; MS2; CE: 60%; R=17500; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], T. Chilczuk [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 255
+CH$NAME: Tjipanazol I
+CH$NAME: Tjipanazole I
+CH$NAME: 3-chloro-11,12-dihydroindolo[2,3-a]carbazole
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C18H11ClN2
+CH$EXACT_MASS: 290.061076
+CH$SMILES: ClC(C=C1)=CC2=C1NC3=C2C=CC4=C3NC5=C4C=CC=C5
+CH$IUPAC: InChI=1S/C18H11ClN2/c19-10-5-8-16-14(9-10)13-7-6-12-11-3-1-2-4-15(11)20-17(12)18(13)21-16/h1-9,20-21H
+CH$LINK: PUBCHEM CID:10755969
+CH$LINK: INCHIKEY FTMOEUBKRZXYEX-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 8931290
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-315
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.803 min
+MS$FOCUSED_ION: BASE_PEAK 289.0538
+MS$FOCUSED_ION: PRECURSOR_M/Z 289.0538
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 5895580.18
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-000i-0090000000-1aaf18f7a708b4a5330e
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  252.0685 C18H8N2- 1 252.0693 -3.34
+  253.0772 C18H9N2- 1 253.0771 0.27
+  288.0459 C18H9ClN2- 1 288.046 -0.17
+  289.0538 C18H10ClN2- 1 289.0538 -0.03
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  252.0685 17738.2 19
+  253.0772 434289.5 485
+  288.0459 166887.3 186
+  289.0538 894483 999
+//
diff --git a/Eawag/MSBNK-MLU-ED025558.txt b/Eawag/MSBNK-MLU-ED025558.txt
new file mode 100644
index 0000000000..6738cab7ee
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED025558.txt
@@ -0,0 +1,52 @@
+ACCESSION: MSBNK-MLU-ED025558
+RECORD_TITLE: Tjipanazol I; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], T. Chilczuk [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 255
+CH$NAME: Tjipanazol I
+CH$NAME: Tjipanazole I
+CH$NAME: 3-chloro-11,12-dihydroindolo[2,3-a]carbazole
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C18H11ClN2
+CH$EXACT_MASS: 290.061076
+CH$SMILES: ClC(C=C1)=CC2=C1NC3=C2C=CC4=C3NC5=C4C=CC=C5
+CH$IUPAC: InChI=1S/C18H11ClN2/c19-10-5-8-16-14(9-10)13-7-6-12-11-3-1-2-4-15(11)20-17(12)18(13)21-16/h1-9,20-21H
+CH$LINK: PUBCHEM CID:10755969
+CH$LINK: INCHIKEY FTMOEUBKRZXYEX-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 8931290
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-315
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.803 min
+MS$FOCUSED_ION: BASE_PEAK 289.0538
+MS$FOCUSED_ION: PRECURSOR_M/Z 289.0538
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 5895580.18
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0udr-0090000000-7dab7045023b14040c29
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  252.0693 C18H8N2- 1 252.0693 -0.01
+  253.0771 C18H9N2- 1 253.0771 0.09
+  288.046 C18H9ClN2- 1 288.046 0.15
+  289.0537 C18H10ClN2- 1 289.0538 -0.24
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  252.0693 63484.6 119
+  253.0771 529151.6 999
+  288.046 183267.3 345
+  289.0537 307929.1 581
+//
diff --git a/Eawag/MSBNK-MLU-ED025559.txt b/Eawag/MSBNK-MLU-ED025559.txt
new file mode 100644
index 0000000000..1a792e2395
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED025559.txt
@@ -0,0 +1,48 @@
+ACCESSION: MSBNK-MLU-ED025559
+RECORD_TITLE: Tjipanazol I; LC-ESI-QFT; MS2; CE: 80%; R=17500; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], T. Chilczuk [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 255
+CH$NAME: Tjipanazol I
+CH$NAME: Tjipanazole I
+CH$NAME: 3-chloro-11,12-dihydroindolo[2,3-a]carbazole
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C18H11ClN2
+CH$EXACT_MASS: 290.061076
+CH$SMILES: ClC(C=C1)=CC2=C1NC3=C2C=CC4=C3NC5=C4C=CC=C5
+CH$IUPAC: InChI=1S/C18H11ClN2/c19-10-5-8-16-14(9-10)13-7-6-12-11-3-1-2-4-15(11)20-17(12)18(13)21-16/h1-9,20-21H
+CH$LINK: PUBCHEM CID:10755969
+CH$LINK: INCHIKEY FTMOEUBKRZXYEX-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 8931290
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-315
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.803 min
+MS$FOCUSED_ION: BASE_PEAK 289.0538
+MS$FOCUSED_ION: PRECURSOR_M/Z 289.0538
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 5895580.18
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0udi-0090000000-9cbf3c06e81ae020ca2e
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  253.0774 C18H9N2- 1 253.0771 1.3
+  288.046 C18H9ClN2- 1 288.046 0.15
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  253.0774 200281.8 999
+  288.046 50238 250
+//
diff --git a/Eawag/MSBNK-MLU-ED025851.txt b/Eawag/MSBNK-MLU-ED025851.txt
new file mode 100644
index 0000000000..d0de06b4cb
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED025851.txt
@@ -0,0 +1,65 @@
+ACCESSION: MSBNK-MLU-ED025851
+RECORD_TITLE: Tychonamide A; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], C. Mehner  [dtc], G. M. Koenig  [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 258
+CH$NAME: Tychonamide A
+CH$NAME: 1-((6R,9S,15S,18R,20aS,25aS,34R,40aS,E)-34-(3-amino-3-oxopropyl)-18-((S)-sec-butyl)-12-ethylidene-37-hydroxy-9-((R)-1-hydroxyethyl)-15-(hydroxymethyl)-6-(4-methoxyphenethyl)-5,8,11,14,17,20,25,30,33,36,40-undecaoxooctatriacontahydro-1H,25H-tripyrrolo[1,2-b1:1`,2`-g:1``,2``-j][1,4,7,10,13,16,19,22,25,28,31]undecaazacyclotetratriacontin-38-yl)-4-hydroxy-5-phenylpentan-2-yl N-acetyl-N-methyl-L-leucinate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C73H107N13O20
+CH$EXACT_MASS: 1485.775533
+CH$SMILES: O=C([C@@H](CCC(N)=O)NC1=O)NCC(N2[C@@H](CCC2)C(N3[C@@H](CCC3)C(N[C@H]([C@@H](C)CC)C(N[C@@H](CO)C(N/C(C(N[C@@H]([C@@H](C)O)C(N[C@H](CCC4=CC=C(OC)C=C4)C(N5[C@@H](CCC5)C(NC(CC(OC([C@H](CC(C)C)N(C)C(C)=O)=O)CC(O)CC6=CC=CC=C6)C1O)=O)=O)=O)=O)=C/C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C73H107N13O20/c1-10-41(5)60-68(99)80-53(39-87)65(96)76-49(11-2)64(95)82-61(42(6)88)69(100)78-51(28-25-44-23-26-47(105-9)27-24-44)71(102)85-32-15-20-54(85)66(97)79-52(37-48(36-46(90)35-45-18-13-12-14-19-45)106-73(104)57(34-40(3)4)83(8)43(7)89)62(93)70(101)77-50(29-30-58(74)91)63(94)75-38-59(92)84-31-17-22-56(84)72(103)86-33-16-21-55(86)67(98)81-60/h11-14,18-19,23-24,26-27,40-42,46,48,50-57,60-62,87-88,90,93H,10,15-17,20-22,25,28-39H2,1-9H3,(H2,74,91)(H,75,94)(H,76,96)(H,77,101)(H,78,100)(H,79,97)(H,80,99)(H,81,98)(H,82,95)/b49-11+/t41-,42+,46?,48?,50+,51+,52?,53-,54-,55-,56-,57-,60+,61-,62?/m0/s1
+CH$LINK: PUBCHEM CID:139586415
+CH$LINK: INCHIKEY ODQWSGPULNHBGL-MCIOLPHXSA-N
+CH$LINK: CHEMSPIDER 28284993
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 102-1530
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.649 min
+MS$FOCUSED_ION: BASE_PEAK 1484.7687
+MS$FOCUSED_ION: PRECURSOR_M/Z 1484.7683
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 1123867549.25
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0006-0020900000-a08e3e5319b45a9e9d5a
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  1205.6003 C62H87N5O19- 19 1205.6001 0.15
+  1223.6102 C61H83N12O15- 18 1223.6106 -0.35
+  1235.6094 C61H87N8O19- 18 1235.6093 0.07
+  1254.6175 C63H86N10O17- 16 1254.6178 -0.23
+  1279.6365 C64H87N12O16- 13 1279.6368 -0.27
+  1392.7216 C72H100N10O18- 3 1392.7223 -0.44
+  1410.7329 C72H102N10O19- 2 1410.7328 0.09
+  1411.7261 C71H101N11O19- 2 1411.7281 -1.39
+  1423.723 C73H101N9O20- 2 1423.7168 4.32
+  1440.7417 C71H102N13O19- 2 1440.742 -0.21
+  1441.7367 C72H103N11O20- 1 1441.7386 -1.31
+PK$NUM_PEAK: 11
+PK$PEAK: m/z int. rel.int.
+  1205.6003 53145188 69
+  1223.6102 196677056 257
+  1235.6094 52964388 69
+  1254.6175 46359440 60
+  1279.6365 10951496 14
+  1392.7216 57685596 75
+  1410.7329 281597184 368
+  1411.7261 36090564 47
+  1423.723 17885120 23
+  1440.7417 764060032 999
+  1441.7367 102417560 133
+//
diff --git a/Eawag/MSBNK-MLU-ED025852.txt b/Eawag/MSBNK-MLU-ED025852.txt
new file mode 100644
index 0000000000..273e456a1f
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED025852.txt
@@ -0,0 +1,77 @@
+ACCESSION: MSBNK-MLU-ED025852
+RECORD_TITLE: Tychonamide A; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], C. Mehner  [dtc], G. M. Koenig  [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 258
+CH$NAME: Tychonamide A
+CH$NAME: 1-((6R,9S,15S,18R,20aS,25aS,34R,40aS,E)-34-(3-amino-3-oxopropyl)-18-((S)-sec-butyl)-12-ethylidene-37-hydroxy-9-((R)-1-hydroxyethyl)-15-(hydroxymethyl)-6-(4-methoxyphenethyl)-5,8,11,14,17,20,25,30,33,36,40-undecaoxooctatriacontahydro-1H,25H-tripyrrolo[1,2-b1:1`,2`-g:1``,2``-j][1,4,7,10,13,16,19,22,25,28,31]undecaazacyclotetratriacontin-38-yl)-4-hydroxy-5-phenylpentan-2-yl N-acetyl-N-methyl-L-leucinate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C73H107N13O20
+CH$EXACT_MASS: 1485.775533
+CH$SMILES: O=C([C@@H](CCC(N)=O)NC1=O)NCC(N2[C@@H](CCC2)C(N3[C@@H](CCC3)C(N[C@H]([C@@H](C)CC)C(N[C@@H](CO)C(N/C(C(N[C@@H]([C@@H](C)O)C(N[C@H](CCC4=CC=C(OC)C=C4)C(N5[C@@H](CCC5)C(NC(CC(OC([C@H](CC(C)C)N(C)C(C)=O)=O)CC(O)CC6=CC=CC=C6)C1O)=O)=O)=O)=O)=C/C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C73H107N13O20/c1-10-41(5)60-68(99)80-53(39-87)65(96)76-49(11-2)64(95)82-61(42(6)88)69(100)78-51(28-25-44-23-26-47(105-9)27-24-44)71(102)85-32-15-20-54(85)66(97)79-52(37-48(36-46(90)35-45-18-13-12-14-19-45)106-73(104)57(34-40(3)4)83(8)43(7)89)62(93)70(101)77-50(29-30-58(74)91)63(94)75-38-59(92)84-31-17-22-56(84)72(103)86-33-16-21-55(86)67(98)81-60/h11-14,18-19,23-24,26-27,40-42,46,48,50-57,60-62,87-88,90,93H,10,15-17,20-22,25,28-39H2,1-9H3,(H2,74,91)(H,75,94)(H,76,96)(H,77,101)(H,78,100)(H,79,97)(H,80,99)(H,81,98)(H,82,95)/b49-11+/t41-,42+,46?,48?,50+,51+,52?,53-,54-,55-,56-,57-,60+,61-,62?/m0/s1
+CH$LINK: PUBCHEM CID:139586415
+CH$LINK: INCHIKEY ODQWSGPULNHBGL-MCIOLPHXSA-N
+CH$LINK: CHEMSPIDER 28284993
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 102-1530
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.649 min
+MS$FOCUSED_ION: BASE_PEAK 1484.7687
+MS$FOCUSED_ION: PRECURSOR_M/Z 1484.7683
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 1123867549.25
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-05fr-0090000000-f51aa49ce0e03ea5afd5
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  978.4364 C64H58N4O6- 30 978.4362 0.24
+  1028.5458 C67H72N4O6- 30 1028.5457 0.02
+  1083.5515 C68H67N12O2- 30 1083.5515 -0.05
+  1126.5589 C72H76N3O9- 25 1126.5587 0.18
+  1152.5769 C63H78N9O12- 23 1152.5775 -0.54
+  1205.6001 C62H87N5O19- 21 1205.6001 0.05
+  1217.6022 C65H79N13O11- 20 1217.6027 -0.41
+  1223.6097 C60H87N8O19- 17 1223.6093 0.34
+  1224.6075 C62H84N10O16- 17 1224.6072 0.24
+  1235.6091 C61H87N8O19- 18 1235.6093 -0.13
+  1241.6205 C60H89N8O20- 17 1241.6199 0.52
+  1253.6197 C61H89N8O20- 16 1253.6199 -0.13
+  1254.6176 C63H86N10O17- 16 1254.6178 -0.13
+  1271.6295 C59H89N11O20- 16 1271.6291 0.34
+  1422.7317 C71H100N13O18- 2 1422.7315 0.12
+  1423.7207 C73H101N9O20- 2 1423.7168 2.69
+  1440.742 C71H102N13O19- 2 1440.742 -0.04
+PK$NUM_PEAK: 17
+PK$PEAK: m/z int. rel.int.
+  978.4364 11031066 14
+  1028.5458 7805610 10
+  1083.5515 15501214 20
+  1126.5589 17589786 23
+  1152.5769 12035855 15
+  1205.6001 471871872 619
+  1217.6022 14151451 18
+  1223.6097 760857856 999
+  1224.6075 75067840 98
+  1235.6091 200825504 263
+  1241.6205 42207264 55
+  1253.6197 268217680 352
+  1254.6176 28843474 37
+  1271.6295 16483895 21
+  1422.7317 97182184 127
+  1423.7207 11216389 14
+  1440.742 81273600 106
+//
diff --git a/Eawag/MSBNK-MLU-ED025853.txt b/Eawag/MSBNK-MLU-ED025853.txt
new file mode 100644
index 0000000000..52056b4f75
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED025853.txt
@@ -0,0 +1,101 @@
+ACCESSION: MSBNK-MLU-ED025853
+RECORD_TITLE: Tychonamide A; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], C. Mehner  [dtc], G. M. Koenig  [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 258
+CH$NAME: Tychonamide A
+CH$NAME: 1-((6R,9S,15S,18R,20aS,25aS,34R,40aS,E)-34-(3-amino-3-oxopropyl)-18-((S)-sec-butyl)-12-ethylidene-37-hydroxy-9-((R)-1-hydroxyethyl)-15-(hydroxymethyl)-6-(4-methoxyphenethyl)-5,8,11,14,17,20,25,30,33,36,40-undecaoxooctatriacontahydro-1H,25H-tripyrrolo[1,2-b1:1`,2`-g:1``,2``-j][1,4,7,10,13,16,19,22,25,28,31]undecaazacyclotetratriacontin-38-yl)-4-hydroxy-5-phenylpentan-2-yl N-acetyl-N-methyl-L-leucinate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C73H107N13O20
+CH$EXACT_MASS: 1485.775533
+CH$SMILES: O=C([C@@H](CCC(N)=O)NC1=O)NCC(N2[C@@H](CCC2)C(N3[C@@H](CCC3)C(N[C@H]([C@@H](C)CC)C(N[C@@H](CO)C(N/C(C(N[C@@H]([C@@H](C)O)C(N[C@H](CCC4=CC=C(OC)C=C4)C(N5[C@@H](CCC5)C(NC(CC(OC([C@H](CC(C)C)N(C)C(C)=O)=O)CC(O)CC6=CC=CC=C6)C1O)=O)=O)=O)=O)=C/C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C73H107N13O20/c1-10-41(5)60-68(99)80-53(39-87)65(96)76-49(11-2)64(95)82-61(42(6)88)69(100)78-51(28-25-44-23-26-47(105-9)27-24-44)71(102)85-32-15-20-54(85)66(97)79-52(37-48(36-46(90)35-45-18-13-12-14-19-45)106-73(104)57(34-40(3)4)83(8)43(7)89)62(93)70(101)77-50(29-30-58(74)91)63(94)75-38-59(92)84-31-17-22-56(84)72(103)86-33-16-21-55(86)67(98)81-60/h11-14,18-19,23-24,26-27,40-42,46,48,50-57,60-62,87-88,90,93H,10,15-17,20-22,25,28-39H2,1-9H3,(H2,74,91)(H,75,94)(H,76,96)(H,77,101)(H,78,100)(H,79,97)(H,80,99)(H,81,98)(H,82,95)/b49-11+/t41-,42+,46?,48?,50+,51+,52?,53-,54-,55-,56-,57-,60+,61-,62?/m0/s1
+CH$LINK: PUBCHEM CID:139586415
+CH$LINK: INCHIKEY ODQWSGPULNHBGL-MCIOLPHXSA-N
+CH$LINK: CHEMSPIDER 28284993
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 102-1530
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.649 min
+MS$FOCUSED_ION: BASE_PEAK 1484.7687
+MS$FOCUSED_ION: PRECURSOR_M/Z 1484.7683
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 1123867549.25
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00di-0190000000-1a78b69e0ce3f02cd561
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  137.2964 C6H37N2- 1 137.2962 1.32
+  139.0498 C4H5N5O- 1 139.05 -0.88
+  144.1017 C5H12N4O- 1 144.1017 0.06
+  178.0607 C6H6N6O- 1 178.0609 -1.14
+  186.112 C7H14N4O2- 1 186.1122 -1.22
+  206.0555 C7H6N6O2- 1 206.0558 -1.26
+  226.1546 C9H18N6O- 1 226.1548 -0.81
+  264.0976 C10H12N6O3- 1 264.0976 0.04
+  387.1662 C18H27O9- 12 387.1661 0.25
+  456.225 C24H26N9O- 14 456.2266 -3.46
+  466.2085 C23H32NO9- 12 466.2083 0.48
+  483.2351 C9H37N7O15- 15 483.2353 -0.39
+  491.2617 C37H33N- 14 491.2618 -0.21
+  501.2461 C38H31N- 16 501.2462 -0.28
+  511.2187 C25H35O11- 16 511.2185 0.33
+  625.2985 C16H47N7O18- 19 625.2983 0.26
+  835.4353 C56H57N3O4- 27 835.4355 -0.16
+  978.4362 C64H58N4O6- 29 978.4362 0.06
+  1028.5459 C67H72N4O6- 30 1028.5457 0.14
+  1083.5515 C68H67N12O2- 30 1083.5515 -0.05
+  1095.5547 C59H83O19- 28 1095.5534 1.17
+  1126.5588 C72H76N3O9- 25 1126.5587 0.07
+  1152.5766 C63H78N9O12- 24 1152.5775 -0.86
+  1206.5981 C64H84N7O16- 21 1206.598 0.05
+  1223.6096 C60H87N8O19- 17 1223.6093 0.24
+  1224.6078 C62H84N10O16- 17 1224.6072 0.44
+  1235.6093 C61H87N8O19- 18 1235.6093 -0.03
+  1241.6199 C60H89N8O20- 17 1241.6199 0.03
+  1253.6202 C61H89N8O20- 16 1253.6199 0.26
+PK$NUM_PEAK: 29
+PK$PEAK: m/z int. rel.int.
+  137.2964 5163301.5 12
+  139.0498 5514204.5 13
+  144.1017 33772828 83
+  178.0607 5483967.5 13
+  186.112 73325144 181
+  206.0555 9772519 24
+  226.1546 12000633 29
+  264.0976 7187420 17
+  387.1662 7394894.5 18
+  456.225 7501532 18
+  466.2085 17374244 43
+  483.2351 9524358 23
+  491.2617 12776106 31
+  501.2461 15938441 39
+  511.2187 43909752 108
+  625.2985 16019828 39
+  835.4353 5709047.5 14
+  978.4362 51261020 127
+  1028.5459 8503241 21
+  1083.5515 30553956 75
+  1095.5547 8356154 20
+  1126.5588 18796066 46
+  1152.5766 7205467 17
+  1206.5981 58519936 145
+  1223.6096 403172672 999
+  1224.6078 40716796 100
+  1235.6093 90356576 223
+  1241.6199 28157672 69
+  1253.6202 50431060 124
+//
diff --git a/Eawag/MSBNK-MLU-ED025854.txt b/Eawag/MSBNK-MLU-ED025854.txt
new file mode 100644
index 0000000000..23f2a7cc5b
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED025854.txt
@@ -0,0 +1,195 @@
+ACCESSION: MSBNK-MLU-ED025854
+RECORD_TITLE: Tychonamide A; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], C. Mehner  [dtc], G. M. Koenig  [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 258
+CH$NAME: Tychonamide A
+CH$NAME: 1-((6R,9S,15S,18R,20aS,25aS,34R,40aS,E)-34-(3-amino-3-oxopropyl)-18-((S)-sec-butyl)-12-ethylidene-37-hydroxy-9-((R)-1-hydroxyethyl)-15-(hydroxymethyl)-6-(4-methoxyphenethyl)-5,8,11,14,17,20,25,30,33,36,40-undecaoxooctatriacontahydro-1H,25H-tripyrrolo[1,2-b1:1`,2`-g:1``,2``-j][1,4,7,10,13,16,19,22,25,28,31]undecaazacyclotetratriacontin-38-yl)-4-hydroxy-5-phenylpentan-2-yl N-acetyl-N-methyl-L-leucinate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C73H107N13O20
+CH$EXACT_MASS: 1485.775533
+CH$SMILES: O=C([C@@H](CCC(N)=O)NC1=O)NCC(N2[C@@H](CCC2)C(N3[C@@H](CCC3)C(N[C@H]([C@@H](C)CC)C(N[C@@H](CO)C(N/C(C(N[C@@H]([C@@H](C)O)C(N[C@H](CCC4=CC=C(OC)C=C4)C(N5[C@@H](CCC5)C(NC(CC(OC([C@H](CC(C)C)N(C)C(C)=O)=O)CC(O)CC6=CC=CC=C6)C1O)=O)=O)=O)=O)=C/C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C73H107N13O20/c1-10-41(5)60-68(99)80-53(39-87)65(96)76-49(11-2)64(95)82-61(42(6)88)69(100)78-51(28-25-44-23-26-47(105-9)27-24-44)71(102)85-32-15-20-54(85)66(97)79-52(37-48(36-46(90)35-45-18-13-12-14-19-45)106-73(104)57(34-40(3)4)83(8)43(7)89)62(93)70(101)77-50(29-30-58(74)91)63(94)75-38-59(92)84-31-17-22-56(84)72(103)86-33-16-21-55(86)67(98)81-60/h11-14,18-19,23-24,26-27,40-42,46,48,50-57,60-62,87-88,90,93H,10,15-17,20-22,25,28-39H2,1-9H3,(H2,74,91)(H,75,94)(H,76,96)(H,77,101)(H,78,100)(H,79,97)(H,80,99)(H,81,98)(H,82,95)/b49-11+/t41-,42+,46?,48?,50+,51+,52?,53-,54-,55-,56-,57-,60+,61-,62?/m0/s1
+CH$LINK: PUBCHEM CID:139586415
+CH$LINK: INCHIKEY ODQWSGPULNHBGL-MCIOLPHXSA-N
+CH$LINK: CHEMSPIDER 28284993
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 102-1530
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.649 min
+MS$FOCUSED_ION: BASE_PEAK 1484.7687
+MS$FOCUSED_ION: PRECURSOR_M/Z 1484.7683
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 1123867549.25
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-05ic-0961100000-e06e46ecf61c82609897
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  109.0393 C3H3N5- 1 109.0394 -1.16
+  110.0233 C3H2N4O- 1 110.0234 -0.55
+  111.0549 C3H5N5- 1 111.055 -1.52
+  113.0705 C3H7N5- 1 113.0707 -1.37
+  121.0393 C4H3N5- 1 121.0394 -0.59
+  123.055 C4H5N5- 1 123.055 -0.18
+  124.0392 C4H4N4O- 1 124.0391 1.18
+  125.0341 C3H3N5O- 1 125.0343 -1.9
+  126.0184 C3H2N4O2- 1 126.0183 0.78
+  127.05 C3H5N5O- 1 127.05 0.24
+  128.034 C3H4N4O2- 1 128.034 0.5
+  129.102 C4H11N5- 1 129.102 0.1
+  137.2968 C6H37N2- 1 137.2962 3.87
+  138.066 C4H6N6- 1 138.0659 0.11
+  139.05 C4H5N5O- 1 139.05 0.32
+  141.0657 C4H7N5O- 1 141.0656 0.88
+  142.1225 C6H14N4- 1 142.1224 0.42
+  144.1017 C5H12N4O- 1 144.1017 0.27
+  145.1052 H13N6O3- 1 145.1055 -1.62
+  149.0708 C6H7N5- 1 149.0707 0.43
+  150.0546 C6H6N4O- 1 150.0547 -1.02
+  151.0499 C5H5N5O- 1 151.05 -0.35
+  153.0655 C5H7N5O- 1 153.0656 -0.68
+  155.081 C5H9N5O- 1 155.0813 -1.38
+  156.0764 C4H8N6O- 1 156.0765 -0.44
+  163.0498 C6H5N5O- 1 163.05 -1
+  165.0657 C6H7N5O- 1 165.0656 0.58
+  167.0448 C5H5N5O2- 1 167.0449 -0.66
+  168.077 C5H8N6O- 1 168.0765 2.71
+  178.0607 C6H6N6O- 1 178.0609 -0.8
+  179.0447 C6H5N5O2- 1 179.0449 -0.73
+  180.0763 C6H8N6O- 1 180.0765 -0.91
+  181.133 C8H15N5- 1 181.1333 -1.53
+  184.0716 C5H8N6O2- 1 184.0714 0.83
+  185.0556 C5H7N5O3- 1 185.0554 0.72
+  186.1121 C7H14N4O2- 1 186.1122 -0.81
+  191.0447 C7H5N5O2- 1 191.0449 -0.69
+  191.1174 C9H13N5- 1 191.1176 -1.34
+  192.0765 C7H8N6O- 1 192.0765 -0.06
+  193.0601 C7H7N5O2- 3 193.0605 -2.31
+  193.097 C8H11N5O- 1 193.0969 0.33
+  196.071 C6H8N6O2- 3 196.0714 -2.06
+  206.0556 C7H6N6O2- 1 206.0558 -0.89
+  209.128 C9H15N5O- 1 209.1282 -0.77
+  226.1545 C9H18N6O- 3 226.1548 -1.28
+  230.0803 C10H14O6- 3 230.0796 3.12
+  233.0915 C10H11N5O2- 3 233.0918 -1.38
+  236.103 C9H12N6O2- 2 236.1027 1.01
+  247.1083 C11H13N5O2- 3 247.1075 3.5
+  262.0822 C10H10N6O3- 2 262.082 0.68
+  264.0975 C10H12N6O3- 3 264.0976 -0.65
+  268.1652 C10H24N2O6- 3 268.164 4.65
+  283.1759 C11H21N7O2- 4 283.1762 -1.01
+  287.1387 C14H17N5O2- 6 287.1388 -0.15
+  290.1135 C12H14N6O3- 2 290.1133 0.62
+  291.1088 C12H19O8- 3 291.1085 0.92
+  304.1653 C14H20N6O2- 7 304.1653 -0.07
+  323.2081 CH33N5O13- 8 323.208 0.14
+  326.1495 C16H18N6O2- 8 326.1497 -0.42
+  344.1607 C2H22N11O9- 8 344.1607 -0.19
+  352.1296 C4H24N4O14- 8 352.1295 0.4
+  356.1607 C3H22N11O9- 10 356.1607 -0.24
+  357.1448 C4H27N3O15- 9 357.1448 0.07
+  362.2194 C18H28N5O3- 10 362.2198 -1.06
+  387.1662 C18H27O9- 12 387.1661 0.32
+  456.2249 C24H26N9O- 14 456.2266 -3.59
+  472.219 C22H34NO10- 15 472.2188 0.38
+  483.2351 C9H37N7O15- 15 483.2353 -0.46
+  491.2617 C37H33N- 14 491.2618 -0.28
+  501.2462 C38H31N- 16 501.2462 -0.04
+  835.4353 C56H57N3O4- 27 835.4355 -0.16
+  978.4363 C64H58N4O6- 29 978.4362 0.12
+  1206.5983 C64H84N7O16- 19 1206.598 0.25
+  1217.6021 C65H79N13O11- 20 1217.6027 -0.51
+  1223.6106 C61H83N12O15- 19 1223.6106 -0.05
+  1235.6095 C61H87N8O19- 18 1235.6093 0.17
+PK$NUM_PEAK: 76
+PK$PEAK: m/z int. rel.int.
+  109.0393 1219186.8 11
+  110.0233 1151375.4 10
+  111.0549 7464880 68
+  113.0705 4837600 44
+  121.0393 4414467.5 40
+  123.055 4809212 44
+  124.0392 2422211.5 22
+  125.0341 4143163 38
+  126.0184 11668667 107
+  127.05 21728486 199
+  128.034 11257776 103
+  129.102 1368080.6 12
+  137.2968 1262218.9 11
+  138.066 2299623.2 21
+  139.05 21770960 199
+  141.0657 1250535.4 11
+  142.1225 8988072 82
+  144.1017 85118328 781
+  145.1052 1099954.8 10
+  149.0708 2519182.5 23
+  150.0546 2237490.5 20
+  151.0499 5330071 48
+  153.0655 25434762 233
+  155.081 3598810 33
+  156.0764 8990395 82
+  163.0498 5619067.5 51
+  165.0657 2717997.8 24
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+  168.077 2108629.5 19
+  178.0607 19893516 182
+  179.0447 5289523 48
+  180.0763 4495845 41
+  181.133 1214838.4 11
+  184.0716 2935763.5 26
+  185.0556 2159828 19
+  186.1121 90818968 834
+  191.0447 1938096 17
+  191.1174 2086769.2 19
+  192.0765 5061165.5 46
+  193.0601 3640395.5 33
+  193.097 1207057.2 11
+  196.071 2866132.2 26
+  206.0556 11437333 105
+  209.128 4340612 39
+  226.1545 71675984 658
+  230.0803 5085921.5 46
+  233.0915 1361133.8 12
+  236.103 1367661.1 12
+  247.1083 4181490 38
+  262.0822 1251362.6 11
+  264.0975 16135577 148
+  268.1652 6774917.5 62
+  283.1759 9430955 86
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+  290.1135 1186043.2 10
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+  304.1653 2040185 18
+  323.2081 7020034.5 64
+  326.1495 7032630 64
+  344.1607 2450566.5 22
+  352.1296 11031348 101
+  356.1607 2460796.8 22
+  357.1448 37103724 340
+  362.2194 3021199.5 27
+  387.1662 13640512 125
+  456.2249 31455978 288
+  472.219 27063550 248
+  483.2351 19120232 175
+  491.2617 9038765 83
+  501.2462 23986766 220
+  835.4353 7918170 72
+  978.4363 43599608 400
+  1206.5983 13817794 126
+  1217.6021 2854746.5 26
+  1223.6106 108758136 999
+  1235.6095 22939838 210
+//
diff --git a/Eawag/MSBNK-MLU-ED025855.txt b/Eawag/MSBNK-MLU-ED025855.txt
new file mode 100644
index 0000000000..b04884bcd8
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED025855.txt
@@ -0,0 +1,283 @@
+ACCESSION: MSBNK-MLU-ED025855
+RECORD_TITLE: Tychonamide A; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], C. Mehner  [dtc], G. M. Koenig  [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 258
+CH$NAME: Tychonamide A
+CH$NAME: 1-((6R,9S,15S,18R,20aS,25aS,34R,40aS,E)-34-(3-amino-3-oxopropyl)-18-((S)-sec-butyl)-12-ethylidene-37-hydroxy-9-((R)-1-hydroxyethyl)-15-(hydroxymethyl)-6-(4-methoxyphenethyl)-5,8,11,14,17,20,25,30,33,36,40-undecaoxooctatriacontahydro-1H,25H-tripyrrolo[1,2-b1:1`,2`-g:1``,2``-j][1,4,7,10,13,16,19,22,25,28,31]undecaazacyclotetratriacontin-38-yl)-4-hydroxy-5-phenylpentan-2-yl N-acetyl-N-methyl-L-leucinate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C73H107N13O20
+CH$EXACT_MASS: 1485.775533
+CH$SMILES: O=C([C@@H](CCC(N)=O)NC1=O)NCC(N2[C@@H](CCC2)C(N3[C@@H](CCC3)C(N[C@H]([C@@H](C)CC)C(N[C@@H](CO)C(N/C(C(N[C@@H]([C@@H](C)O)C(N[C@H](CCC4=CC=C(OC)C=C4)C(N5[C@@H](CCC5)C(NC(CC(OC([C@H](CC(C)C)N(C)C(C)=O)=O)CC(O)CC6=CC=CC=C6)C1O)=O)=O)=O)=O)=C/C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C73H107N13O20/c1-10-41(5)60-68(99)80-53(39-87)65(96)76-49(11-2)64(95)82-61(42(6)88)69(100)78-51(28-25-44-23-26-47(105-9)27-24-44)71(102)85-32-15-20-54(85)66(97)79-52(37-48(36-46(90)35-45-18-13-12-14-19-45)106-73(104)57(34-40(3)4)83(8)43(7)89)62(93)70(101)77-50(29-30-58(74)91)63(94)75-38-59(92)84-31-17-22-56(84)72(103)86-33-16-21-55(86)67(98)81-60/h11-14,18-19,23-24,26-27,40-42,46,48,50-57,60-62,87-88,90,93H,10,15-17,20-22,25,28-39H2,1-9H3,(H2,74,91)(H,75,94)(H,76,96)(H,77,101)(H,78,100)(H,79,97)(H,80,99)(H,81,98)(H,82,95)/b49-11+/t41-,42+,46?,48?,50+,51+,52?,53-,54-,55-,56-,57-,60+,61-,62?/m0/s1
+CH$LINK: PUBCHEM CID:139586415
+CH$LINK: INCHIKEY ODQWSGPULNHBGL-MCIOLPHXSA-N
+CH$LINK: CHEMSPIDER 28284993
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 102-1530
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.649 min
+MS$FOCUSED_ION: BASE_PEAK 1484.7687
+MS$FOCUSED_ION: PRECURSOR_M/Z 1484.7683
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 1123867549.25
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0fbc-0930000000-f02d4031f85e3026db7f
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  109.0284 C4H3N3O- 1 109.0282 1.95
+  109.0393 C3H3N5- 1 109.0394 -0.67
+  110.0234 C3H2N4O- 1 110.0234 0
+  111.0187 C2HN5O- 1 111.0187 0.76
+  111.0439 C4H5N3O- 1 111.0438 0.57
+  111.055 C3H5N5- 1 111.055 -0.35
+  112.039 C3H4N4O- 1 112.0391 -0.25
+  113.0343 C2H3N5O- 1 113.0343 0.05
+  113.0707 C3H7N5- 1 113.0707 -0.36
+  114.0547 C3H6N4O- 1 114.0547 -0.09
+  121.0394 C4H3N5- 1 121.0394 -0.02
+  123.055 C4H5N5- 1 123.055 -0.18
+  124.0391 C4H4N4O- 1 124.0391 0.32
+  125.0343 C3H3N5O- 1 125.0343 0.29
+  125.0706 C4H7N5- 1 125.0707 -0.57
+  126.0184 C3H2N4O2- 1 126.0183 0.35
+  126.0546 C4H6N4O- 1 126.0547 -0.75
+  127.05 C3H5N5O- 1 127.05 0.18
+  128.034 C3H4N4O2- 1 128.034 0.38
+  129.1021 C4H11N5- 1 129.102 0.7
+  135.0552 C5H5N5- 1 135.055 0.79
+  136.0392 C5H4N4O- 1 136.0391 0.79
+  137.0343 C4H3N5O- 1 137.0343 -0.24
+  138.0548 C5H6N4O- 1 138.0547 0.91
+  138.066 C4H6N6- 1 138.0659 0.22
+  139.05 C4H5N5O- 1 139.05 0.54
+  139.086 C5H9N5- 1 139.0863 -2.26
+  140.0341 C4H4N4O2- 1 140.034 1.08
+  141.0656 C4H7N5O- 1 141.0656 -0.1
+  142.1225 C6H14N4- 1 142.1224 0.42
+  144.1017 C5H12N4O- 1 144.1017 0.16
+  145.0607 C3H7N5O2- 1 145.0605 1.24
+  145.1051 H13N6O3- 1 145.1055 -2.56
+  147.0547 C6H5N5- 1 147.055 -2.45
+  149.0348 C5H3N5O- 1 149.0343 3.56
+  149.0707 C6H7N5- 1 149.0707 0.02
+  150.0545 C6H6N4O- 1 150.0547 -1.53
+  151.05 C5H5N5O- 1 151.05 0.25
+  151.0857 C6H9N5- 2 151.0863 -4.25
+  152.0816 C5H8N6- 1 152.0816 0.25
+  153.0656 C5H7N5O- 1 153.0656 -0.18
+  155.0448 C4H5N5O2- 1 155.0449 -0.34
+  155.0812 C5H9N5O- 1 155.0813 -0.59
+  156.0763 C4H8N6O- 1 156.0765 -1.02
+  163.0498 C6H5N5O- 1 163.05 -0.81
+  164.0817 C6H8N6- 1 164.0816 0.41
+  165.0656 C6H7N5O- 1 165.0656 -0.16
+  165.102 C7H11N5- 1 165.102 0.06
+  166.0491 C6H6N4O2- 3 166.0496 -3.29
+  166.0609 C5H6N6O- 1 166.0609 0.46
+  167.0448 C5H5N5O2- 1 167.0449 -0.57
+  168.0765 C5H8N6O- 1 168.0765 -0.28
+  170.0921 C5H10N6O- 1 170.0922 -0.47
+  175.0501 C7H5N5O- 1 175.05 0.82
+  176.0453 C6H4N6O- 1 176.0452 0.52
+  176.0691 C7H12O5- 2 176.069 0.54
+  177.0528 C6H5N6O- 1 177.053 -1.18
+  177.0661 C7H7N5O- 1 177.0656 2.51
+  178.0608 C6H6N6O- 1 178.0609 -0.2
+  179.0447 C6H5N5O2- 1 179.0449 -0.82
+  179.1174 C8H13N5- 1 179.1176 -1.09
+  180.0764 C6H8N6O- 1 180.0765 -0.4
+  181.0603 C6H7N5O2- 1 181.0605 -1.09
+  181.1332 C8H15N5- 1 181.1333 -0.69
+  182.0558 C5H6N6O2- 1 182.0558 0.04
+  183.0395 C5H5N5O3- 1 183.0398 -1.32
+  184.0713 C5H8N6O2- 1 184.0714 -0.49
+  185.0559 C5H7N5O3- 2 185.0554 2.53
+  186.1118 C7H14N4O2- 1 186.1122 -2.04
+  191.0445 C7H5N5O2- 1 191.0449 -1.88
+  191.1174 C9H13N5- 1 191.1176 -1.5
+  192.0764 C7H8N6O- 1 192.0765 -0.46
+  193.06 C7H7N5O2- 3 193.0605 -2.7
+  193.0968 C8H11N5O- 1 193.0969 -0.77
+  195.1123 C8H13N5O- 1 195.1126 -1.2
+  196.0712 C6H8N6O2- 1 196.0714 -1.12
+  204.0765 C8H8N6O- 1 204.0765 -0.14
+  206.0559 C7H6N6O2- 1 206.0558 0.59
+  208.0718 C7H8N6O2- 2 208.0714 1.7
+  208.1439 C9H16N6- 2 208.1442 -1.54
+  209.1033 C8H17O6- 2 209.1031 1.06
+  209.1279 C9H15N5O- 3 209.1282 -1.57
+  210.0868 C7H10N6O2- 1 210.0871 -1.21
+  212.1023 C7H12N6O2- 3 212.1027 -2.05
+  222.1598 C10H18N6- 1 222.1598 -0.16
+  224.139 C9H16N6O- 1 224.1391 -0.51
+  226.1545 C9H18N6O- 3 226.1548 -1.15
+  230.0802 C10H14O6- 3 230.0796 2.79
+  233.0918 C10H11N5O2- 1 233.0918 0
+  236.102 C9H12N6O2- 3 236.1027 -2.93
+  246.0865 C10H10N6O2- 3 246.0871 -2.52
+  247.1075 C11H13N5O2- 1 247.1075 -0.02
+  250.1181 C10H14N6O2- 3 250.1184 -1.18
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+//
diff --git a/Eawag/MSBNK-MLU-ED025856.txt b/Eawag/MSBNK-MLU-ED025856.txt
new file mode 100644
index 0000000000..0f47928a36
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED025856.txt
@@ -0,0 +1,275 @@
+ACCESSION: MSBNK-MLU-ED025856
+RECORD_TITLE: Tychonamide A; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], C. Mehner  [dtc], G. M. Koenig  [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 258
+CH$NAME: Tychonamide A
+CH$NAME: 1-((6R,9S,15S,18R,20aS,25aS,34R,40aS,E)-34-(3-amino-3-oxopropyl)-18-((S)-sec-butyl)-12-ethylidene-37-hydroxy-9-((R)-1-hydroxyethyl)-15-(hydroxymethyl)-6-(4-methoxyphenethyl)-5,8,11,14,17,20,25,30,33,36,40-undecaoxooctatriacontahydro-1H,25H-tripyrrolo[1,2-b1:1`,2`-g:1``,2``-j][1,4,7,10,13,16,19,22,25,28,31]undecaazacyclotetratriacontin-38-yl)-4-hydroxy-5-phenylpentan-2-yl N-acetyl-N-methyl-L-leucinate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C73H107N13O20
+CH$EXACT_MASS: 1485.775533
+CH$SMILES: O=C([C@@H](CCC(N)=O)NC1=O)NCC(N2[C@@H](CCC2)C(N3[C@@H](CCC3)C(N[C@H]([C@@H](C)CC)C(N[C@@H](CO)C(N/C(C(N[C@@H]([C@@H](C)O)C(N[C@H](CCC4=CC=C(OC)C=C4)C(N5[C@@H](CCC5)C(NC(CC(OC([C@H](CC(C)C)N(C)C(C)=O)=O)CC(O)CC6=CC=CC=C6)C1O)=O)=O)=O)=O)=C/C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C73H107N13O20/c1-10-41(5)60-68(99)80-53(39-87)65(96)76-49(11-2)64(95)82-61(42(6)88)69(100)78-51(28-25-44-23-26-47(105-9)27-24-44)71(102)85-32-15-20-54(85)66(97)79-52(37-48(36-46(90)35-45-18-13-12-14-19-45)106-73(104)57(34-40(3)4)83(8)43(7)89)62(93)70(101)77-50(29-30-58(74)91)63(94)75-38-59(92)84-31-17-22-56(84)72(103)86-33-16-21-55(86)67(98)81-60/h11-14,18-19,23-24,26-27,40-42,46,48,50-57,60-62,87-88,90,93H,10,15-17,20-22,25,28-39H2,1-9H3,(H2,74,91)(H,75,94)(H,76,96)(H,77,101)(H,78,100)(H,79,97)(H,80,99)(H,81,98)(H,82,95)/b49-11+/t41-,42+,46?,48?,50+,51+,52?,53-,54-,55-,56-,57-,60+,61-,62?/m0/s1
+CH$LINK: PUBCHEM CID:139586415
+CH$LINK: INCHIKEY ODQWSGPULNHBGL-MCIOLPHXSA-N
+CH$LINK: CHEMSPIDER 28284993
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 102-1530
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.649 min
+MS$FOCUSED_ION: BASE_PEAK 1484.7687
+MS$FOCUSED_ION: PRECURSOR_M/Z 1484.7683
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 1123867549.25
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0w4l-0910000000-bb6b00ca8a5f6e285501
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
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+  230.0798 3464263.5 24
+  233.0919 2365137.5 16
+  236.0663 1762222.9 12
+  236.1026 2368078.8 16
+  237.086 4225696.5 29
+  245.0915 2376108.5 16
+  247.1074 7217909 50
+  250.1185 3578059.5 25
+  252.1335 3966783.5 27
+  264.0976 8634529 60
+  265.165 4003120 28
+  281.124 11533744 80
+  283.1757 4548167.5 31
+  287.1385 5330917 37
+  291.1087 4572190.5 31
+  309.1198 2906929 20
+  312.1346 1606800.2 11
+  323.2084 2956109.8 20
+  357.145 3657285.5 25
+  511.2187 3391293.8 23
+//
diff --git a/Eawag/MSBNK-MLU-ED025857.txt b/Eawag/MSBNK-MLU-ED025857.txt
new file mode 100644
index 0000000000..08507496cc
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED025857.txt
@@ -0,0 +1,217 @@
+ACCESSION: MSBNK-MLU-ED025857
+RECORD_TITLE: Tychonamide A; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], C. Mehner  [dtc], G. M. Koenig  [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 258
+CH$NAME: Tychonamide A
+CH$NAME: 1-((6R,9S,15S,18R,20aS,25aS,34R,40aS,E)-34-(3-amino-3-oxopropyl)-18-((S)-sec-butyl)-12-ethylidene-37-hydroxy-9-((R)-1-hydroxyethyl)-15-(hydroxymethyl)-6-(4-methoxyphenethyl)-5,8,11,14,17,20,25,30,33,36,40-undecaoxooctatriacontahydro-1H,25H-tripyrrolo[1,2-b1:1`,2`-g:1``,2``-j][1,4,7,10,13,16,19,22,25,28,31]undecaazacyclotetratriacontin-38-yl)-4-hydroxy-5-phenylpentan-2-yl N-acetyl-N-methyl-L-leucinate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C73H107N13O20
+CH$EXACT_MASS: 1485.775533
+CH$SMILES: O=C([C@@H](CCC(N)=O)NC1=O)NCC(N2[C@@H](CCC2)C(N3[C@@H](CCC3)C(N[C@H]([C@@H](C)CC)C(N[C@@H](CO)C(N/C(C(N[C@@H]([C@@H](C)O)C(N[C@H](CCC4=CC=C(OC)C=C4)C(N5[C@@H](CCC5)C(NC(CC(OC([C@H](CC(C)C)N(C)C(C)=O)=O)CC(O)CC6=CC=CC=C6)C1O)=O)=O)=O)=O)=C/C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C73H107N13O20/c1-10-41(5)60-68(99)80-53(39-87)65(96)76-49(11-2)64(95)82-61(42(6)88)69(100)78-51(28-25-44-23-26-47(105-9)27-24-44)71(102)85-32-15-20-54(85)66(97)79-52(37-48(36-46(90)35-45-18-13-12-14-19-45)106-73(104)57(34-40(3)4)83(8)43(7)89)62(93)70(101)77-50(29-30-58(74)91)63(94)75-38-59(92)84-31-17-22-56(84)72(103)86-33-16-21-55(86)67(98)81-60/h11-14,18-19,23-24,26-27,40-42,46,48,50-57,60-62,87-88,90,93H,10,15-17,20-22,25,28-39H2,1-9H3,(H2,74,91)(H,75,94)(H,76,96)(H,77,101)(H,78,100)(H,79,97)(H,80,99)(H,81,98)(H,82,95)/b49-11+/t41-,42+,46?,48?,50+,51+,52?,53-,54-,55-,56-,57-,60+,61-,62?/m0/s1
+CH$LINK: PUBCHEM CID:139586415
+CH$LINK: INCHIKEY ODQWSGPULNHBGL-MCIOLPHXSA-N
+CH$LINK: CHEMSPIDER 28284993
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 102-1530
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.649 min
+MS$FOCUSED_ION: BASE_PEAK 1484.7687
+MS$FOCUSED_ION: PRECURSOR_M/Z 1484.7683
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 1123867549.25
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0w4l-0900000000-4fcacbf83c7a2434f7fc
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  106.0411 C5H4N3- 1 106.0411 0.19
+  108.0079 C3N4O- 1 108.0078 1.12
+  108.0317 C3H2N5- 1 108.0316 0.92
+  108.044 C4H4N4- 1 108.0441 -1.15
+  109.0282 C4H3N3O- 1 109.0282 0.69
+  109.0394 C3H3N5- 1 109.0394 -0.25
+  110.0234 C3H2N4O- 1 110.0234 -0.21
+  110.0597 C4H6N4- 1 110.0598 -0.63
+  111.0187 C2HN5O- 1 111.0187 0.14
+  111.0439 C4H5N3O- 1 111.0438 1.12
+  111.055 C3H5N5- 1 111.055 -0.29
+  112.039 C3H4N4O- 1 112.0391 -0.18
+  112.0503 C2H4N6- 1 112.0503 0.13
+  113.0343 C2H3N5O- 1 113.0343 0.26
+  113.0707 C3H7N5- 1 113.0707 -0.29
+  114.0547 C3H6N4O- 1 114.0547 -0.49
+  119.0488 C6H5N3- 1 119.0489 -0.41
+  120.0191 C3N6- 1 120.019 0.56
+  121.0394 C4H3N5- 1 121.0394 -0.15
+  122.0234 C4H2N4O- 1 122.0234 -0.08
+  122.0475 C4H4N5- 1 122.0472 2.24
+  122.0598 C5H6N4- 1 122.0598 0.41
+  123.0186 C3HN5O- 1 123.0187 -0.17
+  123.0551 C4H5N5- 1 123.055 0.07
+  124.039 C4H4N4O- 1 124.0391 -0.36
+  125.0343 C3H3N5O- 1 125.0343 -0.01
+  125.0706 C4H7N5- 1 125.0707 -1.12
+  126.0184 C3H2N4O2- 1 126.0183 0.9
+  126.0548 C4H6N4O- 1 126.0547 0.71
+  127.05 C3H5N5O- 1 127.05 0.12
+  128.034 C3H4N4O2- 1 128.034 -0.1
+  129.102 C4H11N5- 1 129.102 0.34
+  130.0607 C2H6N6O- 1 130.0609 -1.13
+  135.019 C4HN5O- 1 135.0187 2.44
+  135.0551 C5H5N5- 1 135.055 0.22
+  136.039 C5H4N4O- 1 136.0391 -0.11
+  137.0708 C5H7N5- 1 137.0707 0.47
+  138.0547 C5H6N4O- 1 138.0547 0.24
+  138.066 C4H6N6- 1 138.0659 0.22
+  139.05 C4H5N5O- 1 139.05 0.32
+  139.0863 C5H9N5- 1 139.0863 -0.18
+  140.0816 C4H8N6- 1 140.0816 -0.2
+  141.0657 C4H7N5O- 1 141.0656 0.88
+  142.1225 C6H14N4- 1 142.1224 0.85
+  144.1017 C5H12N4O- 1 144.1017 0.27
+  146.0597 C7H6N4- 1 146.0598 -0.44
+  147.055 C6H5N5- 1 147.055 -0.58
+  148.0502 C5H4N6- 1 148.0503 -0.31
+  149.0344 C5H3N5O- 1 149.0343 0.28
+  149.0707 C6H7N5- 1 149.0707 0.22
+  150.0546 C6H6N4O- 1 150.0547 -0.72
+  151.0139 C4HN5O2- 1 151.0136 1.93
+  151.0499 C5H5N5O- 1 151.05 -0.35
+  151.0738 C5H7N6- 1 151.0738 0.31
+  151.0863 C6H9N5- 1 151.0863 -0.01
+  152.0816 C5H8N6- 1 152.0816 0.15
+  153.0656 C5H7N5O- 1 153.0656 -0.18
+  155.0813 C5H9N5O- 1 155.0813 0.09
+  160.0755 C8H8N4- 1 160.0754 0.2
+  163.0372 C5H3N6O- 1 163.0374 -1.36
+  163.0499 C6H5N5O- 1 163.05 -0.16
+  165.0656 C6H7N5O- 1 165.0656 -0.34
+  166.0492 C6H6N4O2- 1 166.0496 -2.28
+  166.0613 C5H6N6O- 1 166.0609 2.94
+  167.0448 C5H5N5O2- 1 167.0449 -0.47
+  168.0764 C5H8N6O- 1 168.0765 -0.65
+  169.0965 C6H11N5O- 1 169.0969 -2.43
+  170.092 C5H10N6O- 1 170.0922 -0.92
+  176.0455 C6H4N6O- 1 176.0452 1.56
+  177.0525 C6H5N6O- 3 177.053 -2.99
+  178.0609 C6H6N6O- 1 178.0609 0.23
+  179.0448 C6H5N5O2- 1 179.0449 -0.56
+  179.1173 C8H13N5- 1 179.1176 -2.11
+  181.1332 C8H15N5- 1 181.1333 -0.6
+  190.0607 C7H6N6O- 1 190.0609 -0.58
+  192.076 C7H8N6O- 3 192.0765 -2.44
+  193.0966 C8H11N5O- 1 193.0969 -1.56
+  208.1439 C9H16N6- 1 208.1442 -1.32
+  209.1032 C8H17O6- 2 209.1031 0.47
+  209.128 C9H15N5O- 1 209.1282 -0.77
+  210.0869 C7H10N6O2- 1 210.0871 -0.63
+  226.1546 C9H18N6O- 1 226.1548 -0.88
+  252.1336 C10H16N6O2- 3 252.134 -1.7
+  264.0973 C10H12N6O3- 3 264.0976 -1.11
+  265.1653 C11H19N7O- 4 265.1657 -1.37
+  281.124 C10H15N7O3- 4 281.1242 -0.7
+  304.1652 C14H20N6O2- 7 304.1653 -0.57
+PK$NUM_PEAK: 87
+PK$PEAK: m/z int. rel.int.
+  106.0411 4629684.5 36
+  108.0079 2486051.5 19
+  108.0317 3167717.2 25
+  108.044 2764986.2 21
+  109.0282 1982489.8 15
+  109.0394 7245037.5 57
+  110.0234 4214566 33
+  110.0597 2535810.5 20
+  111.0187 7030956 55
+  111.0439 2337762.2 18
+  111.055 21044730 167
+  112.039 3637343.2 28
+  112.0503 1288868 10
+  113.0343 5963825 47
+  113.0707 46907688 372
+  114.0547 3888992.5 30
+  119.0488 3602652 28
+  120.0191 2879444.8 22
+  121.0394 17420412 138
+  122.0234 1679809.6 13
+  122.0475 1392427.9 11
+  122.0598 2372039.5 18
+  123.0186 1965640.4 15
+  123.0551 13852514 109
+  124.039 11756754 93
+  125.0343 27315590 216
+  125.0706 3829130.2 30
+  126.0184 1735424.6 13
+  126.0548 1879568.8 14
+  127.05 29815846 236
+  128.034 5465949.5 43
+  129.102 9780385 77
+  130.0607 2203113 17
+  135.019 2322079 18
+  135.0551 7774212.5 61
+  136.039 4495694.5 35
+  137.0708 3625974.5 28
+  138.0547 4818249.5 38
+  138.066 8121076.5 64
+  139.05 23516282 186
+  139.0863 5205038 41
+  140.0816 2149172.5 17
+  141.0657 3541976.2 28
+  142.1225 2016861 16
+  144.1017 93829904 744
+  146.0597 1437815.5 11
+  147.055 2021723.9 16
+  148.0502 1527371.5 12
+  149.0344 2043724.1 16
+  149.0707 2700006.5 21
+  150.0546 2641439.2 20
+  151.0139 1801605.8 14
+  151.0499 6482720.5 51
+  151.0738 1552931.5 12
+  151.0863 2718424.2 21
+  152.0816 4925272 39
+  153.0656 125824320 999
+  155.0813 6949891.5 55
+  160.0755 2225704.2 17
+  163.0372 2847550.2 22
+  163.0499 11229883 89
+  165.0656 6359977 50
+  166.0492 1926462.2 15
+  166.0613 2381038.8 18
+  167.0448 3594256.8 28
+  168.0764 3940342.2 31
+  169.0965 2269003.5 18
+  170.092 5465313.5 43
+  176.0455 3240352.2 25
+  177.0525 1797450 14
+  178.0609 7464103 59
+  179.0448 9677411 76
+  179.1173 2652178.5 21
+  181.1332 8757178 69
+  190.0607 1295497.5 10
+  192.076 1359009.9 10
+  193.0966 1370285.5 10
+  208.1439 4807991 38
+  209.1032 2778658.8 22
+  209.128 6576091.5 52
+  210.0869 5896799 46
+  226.1546 21625930 171
+  252.1336 1281858.5 10
+  264.0973 3699310.5 29
+  265.1653 2331642.2 18
+  281.124 4821570.5 38
+  304.1652 2345372.5 18
+//
diff --git a/Eawag/MSBNK-MLU-ED025858.txt b/Eawag/MSBNK-MLU-ED025858.txt
new file mode 100644
index 0000000000..4bcae481a5
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED025858.txt
@@ -0,0 +1,171 @@
+ACCESSION: MSBNK-MLU-ED025858
+RECORD_TITLE: Tychonamide A; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], C. Mehner  [dtc], G. M. Koenig  [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 258
+CH$NAME: Tychonamide A
+CH$NAME: 1-((6R,9S,15S,18R,20aS,25aS,34R,40aS,E)-34-(3-amino-3-oxopropyl)-18-((S)-sec-butyl)-12-ethylidene-37-hydroxy-9-((R)-1-hydroxyethyl)-15-(hydroxymethyl)-6-(4-methoxyphenethyl)-5,8,11,14,17,20,25,30,33,36,40-undecaoxooctatriacontahydro-1H,25H-tripyrrolo[1,2-b1:1`,2`-g:1``,2``-j][1,4,7,10,13,16,19,22,25,28,31]undecaazacyclotetratriacontin-38-yl)-4-hydroxy-5-phenylpentan-2-yl N-acetyl-N-methyl-L-leucinate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C73H107N13O20
+CH$EXACT_MASS: 1485.775533
+CH$SMILES: O=C([C@@H](CCC(N)=O)NC1=O)NCC(N2[C@@H](CCC2)C(N3[C@@H](CCC3)C(N[C@H]([C@@H](C)CC)C(N[C@@H](CO)C(N/C(C(N[C@@H]([C@@H](C)O)C(N[C@H](CCC4=CC=C(OC)C=C4)C(N5[C@@H](CCC5)C(NC(CC(OC([C@H](CC(C)C)N(C)C(C)=O)=O)CC(O)CC6=CC=CC=C6)C1O)=O)=O)=O)=O)=C/C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C73H107N13O20/c1-10-41(5)60-68(99)80-53(39-87)65(96)76-49(11-2)64(95)82-61(42(6)88)69(100)78-51(28-25-44-23-26-47(105-9)27-24-44)71(102)85-32-15-20-54(85)66(97)79-52(37-48(36-46(90)35-45-18-13-12-14-19-45)106-73(104)57(34-40(3)4)83(8)43(7)89)62(93)70(101)77-50(29-30-58(74)91)63(94)75-38-59(92)84-31-17-22-56(84)72(103)86-33-16-21-55(86)67(98)81-60/h11-14,18-19,23-24,26-27,40-42,46,48,50-57,60-62,87-88,90,93H,10,15-17,20-22,25,28-39H2,1-9H3,(H2,74,91)(H,75,94)(H,76,96)(H,77,101)(H,78,100)(H,79,97)(H,80,99)(H,81,98)(H,82,95)/b49-11+/t41-,42+,46?,48?,50+,51+,52?,53-,54-,55-,56-,57-,60+,61-,62?/m0/s1
+CH$LINK: PUBCHEM CID:139586415
+CH$LINK: INCHIKEY ODQWSGPULNHBGL-MCIOLPHXSA-N
+CH$LINK: CHEMSPIDER 28284993
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 102-1530
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.649 min
+MS$FOCUSED_ION: BASE_PEAK 1484.7687
+MS$FOCUSED_ION: PRECURSOR_M/Z 1484.7683
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 1123867549.25
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0w2c-0900000000-c73fe9584e64d82fa42e
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  106.0409 C5H4N3- 1 106.0411 -1.39
+  108.0315 C3H2N5- 1 108.0316 -0.21
+  108.0439 C4H4N4- 1 108.0441 -1.93
+  109.0279 C4H3N3O- 1 109.0282 -2.39
+  109.0394 C3H3N5- 1 109.0394 -0.32
+  110.0235 C3H2N4O- 1 110.0234 0.97
+  110.0597 C4H6N4- 1 110.0598 -1.26
+  111.0187 C2HN5O- 1 111.0187 0.27
+  111.0438 C4H5N3O- 1 111.0438 0.15
+  111.055 C3H5N5- 1 111.055 -0.22
+  112.0503 C2H4N6- 1 112.0503 0.47
+  113.0344 C2H3N5O- 1 113.0343 0.39
+  113.0707 C3H7N5- 1 113.0707 -0.36
+  114.0547 C3H6N4O- 1 114.0547 0.04
+  120.0191 C3N6- 1 120.019 0.63
+  121.0394 C4H3N5- 1 121.0394 -0.21
+  122.0598 C5H6N4- 1 122.0598 -0.03
+  123.0187 C3HN5O- 1 123.0187 0.57
+  123.0551 C4H5N5- 1 123.055 0.32
+  124.0264 C3H2N5O- 1 124.0265 -0.71
+  124.039 C4H4N4O- 1 124.0391 -0.36
+  125.0343 C3H3N5O- 1 125.0343 0.23
+  126.0548 C4H6N4O- 1 126.0547 0.4
+  127.05 C3H5N5O- 1 127.05 -0.06
+  128.034 C3H4N4O2- 1 128.034 0.26
+  129.1019 C4H11N5- 1 129.102 -0.37
+  130.0605 C2H6N6O- 1 130.0609 -3.13
+  133.0394 C5H3N5- 1 133.0394 -0.09
+  135.0188 C4HN5O- 1 135.0187 1.3
+  135.0551 C5H5N5- 1 135.055 0.56
+  136.039 C5H4N4O- 1 136.0391 -0.22
+  136.0503 C4H4N6- 1 136.0503 0.09
+  137.0345 C4H3N5O- 1 137.0343 1.21
+  138.0547 C5H6N4O- 1 138.0547 0.24
+  138.066 C4H6N6- 1 138.0659 0.55
+  139.05 C4H5N5O- 1 139.05 0.21
+  139.0864 C5H9N5- 1 139.0863 0.15
+  144.1017 C5H12N4O- 1 144.1017 0.16
+  146.0595 C7H6N4- 1 146.0598 -1.9
+  147.0549 C6H5N5- 1 147.055 -1.1
+  149.0344 C5H3N5O- 1 149.0343 0.69
+  149.0705 C6H7N5- 1 149.0707 -1.52
+  151.0135 C4HN5O2- 1 151.0136 -0.4
+  151.0499 C5H5N5O- 1 151.05 -0.66
+  151.0738 C5H7N6- 1 151.0738 0.41
+  151.0864 C6H9N5- 1 151.0863 0.5
+  152.0816 C5H8N6- 1 152.0816 0.15
+  153.0656 C5H7N5O- 1 153.0656 -0.18
+  155.0811 C5H9N5O- 1 155.0813 -0.79
+  163.0372 C5H3N6O- 1 163.0374 -0.89
+  163.0499 C6H5N5O- 1 163.05 -0.16
+  165.0655 C6H7N5O- 1 165.0656 -0.53
+  166.061 C5H6N6O- 1 166.0609 0.64
+  167.045 C5H5N5O2- 1 167.0449 0.53
+  170.092 C5H10N6O- 1 170.0922 -1.19
+  176.045 C6H4N6O- 1 176.0452 -1.04
+  178.0608 C6H6N6O- 1 178.0609 -0.11
+  179.0447 C6H5N5O2- 1 179.0449 -1.07
+  181.1331 C8H15N5- 1 181.1333 -1.28
+  190.0605 C7H6N6O- 1 190.0609 -1.78
+  209.1279 C9H15N5O- 3 209.1282 -1.5
+  210.0871 C7H10N6O2- 1 210.0871 0.02
+  226.1544 C9H18N6O- 3 226.1548 -1.42
+  281.1242 C10H15N7O3- 5 281.1242 -0.05
+PK$NUM_PEAK: 64
+PK$PEAK: m/z int. rel.int.
+  106.0409 4463059.5 49
+  108.0315 3335047.5 36
+  108.0439 2704306 29
+  109.0279 1025084.3 11
+  109.0394 6768527.5 74
+  110.0235 3462087.5 38
+  110.0597 2056266.8 22
+  111.0187 5792757.5 63
+  111.0438 1205291.1 13
+  111.055 14574529 160
+  112.0503 1423575 15
+  113.0344 5186685.5 57
+  113.0707 34450564 379
+  114.0547 3490041.2 38
+  120.0191 2011517.1 22
+  121.0394 14058543 154
+  122.0598 1463426.6 16
+  123.0187 1994143.5 21
+  123.0551 11330562 124
+  124.0264 1819226 20
+  124.039 8123047.5 89
+  125.0343 23507086 259
+  126.0548 982994.4 10
+  127.05 17022138 187
+  128.034 3854208 42
+  129.1019 6655830 73
+  130.0605 1557289.1 17
+  133.0394 1130057.2 12
+  135.0188 2758512.5 30
+  135.0551 5512334 60
+  136.039 2550418 28
+  136.0503 1239840.5 13
+  137.0345 2176194.5 23
+  138.0547 3640285.8 40
+  138.066 5744134.5 63
+  139.05 15412248 169
+  139.0864 3902670.2 43
+  144.1017 58755836 647
+  146.0595 1984659 21
+  147.0549 1749584.6 19
+  149.0344 1695758.8 18
+  149.0705 1901215.9 20
+  151.0135 1622790.5 17
+  151.0499 4750046.5 52
+  151.0738 1563372.9 17
+  151.0864 2259667.8 24
+  152.0816 4074642.5 44
+  153.0656 90615864 999
+  155.0811 4215187.5 46
+  163.0372 2818198.8 31
+  163.0499 7965630.5 87
+  165.0655 5591894 61
+  166.061 951190.1 10
+  167.045 2124270 23
+  170.092 2866557.2 31
+  176.045 2841687.5 31
+  178.0608 4283459.5 47
+  179.0447 8183571.5 90
+  181.1331 5732949 63
+  190.0605 1098610 12
+  209.1279 3002816 33
+  210.0871 4295765 47
+  226.1544 7685300 84
+  281.1242 1405524.4 15
+//
diff --git a/Eawag/MSBNK-MLU-ED025859.txt b/Eawag/MSBNK-MLU-ED025859.txt
new file mode 100644
index 0000000000..fd11c811c1
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED025859.txt
@@ -0,0 +1,201 @@
+ACCESSION: MSBNK-MLU-ED025859
+RECORD_TITLE: Tychonamide A; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], C. Mehner  [dtc], G. M. Koenig  [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 258
+CH$NAME: Tychonamide A
+CH$NAME: 1-((6R,9S,15S,18R,20aS,25aS,34R,40aS,E)-34-(3-amino-3-oxopropyl)-18-((S)-sec-butyl)-12-ethylidene-37-hydroxy-9-((R)-1-hydroxyethyl)-15-(hydroxymethyl)-6-(4-methoxyphenethyl)-5,8,11,14,17,20,25,30,33,36,40-undecaoxooctatriacontahydro-1H,25H-tripyrrolo[1,2-b1:1`,2`-g:1``,2``-j][1,4,7,10,13,16,19,22,25,28,31]undecaazacyclotetratriacontin-38-yl)-4-hydroxy-5-phenylpentan-2-yl N-acetyl-N-methyl-L-leucinate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C73H107N13O20
+CH$EXACT_MASS: 1485.775533
+CH$SMILES: O=C([C@@H](CCC(N)=O)NC1=O)NCC(N2[C@@H](CCC2)C(N3[C@@H](CCC3)C(N[C@H]([C@@H](C)CC)C(N[C@@H](CO)C(N/C(C(N[C@@H]([C@@H](C)O)C(N[C@H](CCC4=CC=C(OC)C=C4)C(N5[C@@H](CCC5)C(NC(CC(OC([C@H](CC(C)C)N(C)C(C)=O)=O)CC(O)CC6=CC=CC=C6)C1O)=O)=O)=O)=O)=C/C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C73H107N13O20/c1-10-41(5)60-68(99)80-53(39-87)65(96)76-49(11-2)64(95)82-61(42(6)88)69(100)78-51(28-25-44-23-26-47(105-9)27-24-44)71(102)85-32-15-20-54(85)66(97)79-52(37-48(36-46(90)35-45-18-13-12-14-19-45)106-73(104)57(34-40(3)4)83(8)43(7)89)62(93)70(101)77-50(29-30-58(74)91)63(94)75-38-59(92)84-31-17-22-56(84)72(103)86-33-16-21-55(86)67(98)81-60/h11-14,18-19,23-24,26-27,40-42,46,48,50-57,60-62,87-88,90,93H,10,15-17,20-22,25,28-39H2,1-9H3,(H2,74,91)(H,75,94)(H,76,96)(H,77,101)(H,78,100)(H,79,97)(H,80,99)(H,81,98)(H,82,95)/b49-11+/t41-,42+,46?,48?,50+,51+,52?,53-,54-,55-,56-,57-,60+,61-,62?/m0/s1
+CH$LINK: PUBCHEM CID:139586415
+CH$LINK: INCHIKEY ODQWSGPULNHBGL-MCIOLPHXSA-N
+CH$LINK: CHEMSPIDER 28284993
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 102-1530
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.649 min
+MS$FOCUSED_ION: BASE_PEAK 1484.7687
+MS$FOCUSED_ION: PRECURSOR_M/Z 1484.7683
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 1123867549.25
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0w2c-0900000000-94ad08ca55c7bc9a315f
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  106.041 C5H4N3- 1 106.0411 -0.38
+  107.0238 C3HN5- 1 107.0237 0.54
+  108.0079 C3N4O- 1 108.0078 1.05
+  108.0316 C3H2N5- 1 108.0316 0.21
+  108.044 C4H4N4- 1 108.0441 -1.65
+  109.0393 C3H3N5- 1 109.0394 -0.6
+  110.0234 C3H2N4O- 1 110.0234 0.21
+  110.0597 C4H6N4- 1 110.0598 -0.7
+  111.0187 C2HN5O- 1 111.0187 -0.07
+  111.055 C3H5N5- 1 111.055 -0.56
+  112.0389 C3H4N4O- 1 112.0391 -1.27
+  113.0343 C2H3N5O- 1 113.0343 0.32
+  113.0706 C3H7N5- 1 113.0707 -0.43
+  114.0547 C3H6N4O- 1 114.0547 -0.43
+  119.0489 C6H5N3- 1 119.0489 0.23
+  120.0191 C3N6- 1 120.019 0.94
+  121.0394 C4H3N5- 1 121.0394 -0.21
+  122.0238 C4H2N4O- 1 122.0234 2.86
+  122.0596 C5H6N4- 1 122.0598 -1.84
+  123.0188 C3HN5O- 1 123.0187 0.82
+  123.055 C4H5N5- 1 123.055 -0.12
+  124.0264 C3H2N5O- 1 124.0265 -0.52
+  124.039 C4H4N4O- 1 124.0391 -0.24
+  125.0343 C3H3N5O- 1 125.0343 -0.07
+  125.0707 C4H7N5- 1 125.0707 -0.08
+  126.0546 C4H6N4O- 1 126.0547 -0.63
+  127.0499 C3H5N5O- 1 127.05 -0.12
+  128.034 C3H4N4O2- 1 128.034 0.26
+  129.1021 C4H11N5- 1 129.102 0.58
+  130.0606 C2H6N6O- 1 130.0609 -1.72
+  133.0393 C5H3N5- 1 133.0394 -0.78
+  135.0188 C4HN5O- 1 135.0187 0.97
+  135.055 C5H5N5- 1 135.055 0
+  136.039 C5H4N4O- 1 136.0391 -0.22
+  136.0504 C4H4N6- 1 136.0503 0.54
+  137.0342 C4H3N5O- 1 137.0343 -0.69
+  137.0707 C5H7N5- 1 137.0707 0.36
+  138.0548 C5H6N4O- 1 138.0547 0.35
+  138.066 C4H6N6- 1 138.0659 0.11
+  139.05 C4H5N5O- 1 139.05 0.32
+  139.0863 C5H9N5- 1 139.0863 -0.29
+  140.0816 C4H8N6- 1 140.0816 -0.2
+  141.0656 C4H7N5O- 1 141.0656 0.12
+  144.1017 C5H12N4O- 1 144.1017 0.06
+  146.0598 C7H6N4- 1 146.0598 -0.02
+  147.055 C6H5N5- 1 147.055 -0.16
+  148.0505 C5H4N6- 1 148.0503 1.44
+  149.0344 C5H3N5O- 1 149.0343 0.8
+  149.0706 C6H7N5- 1 149.0707 -0.59
+  150.0545 C6H6N4O- 1 150.0547 -1.63
+  150.066 C5H6N6- 1 150.0659 0.48
+  151.0138 C4HN5O2- 1 151.0136 1.63
+  151.05 C5H5N5O- 1 151.05 0.56
+  151.0863 C6H9N5- 1 151.0863 -0.21
+  152.0815 C5H8N6- 1 152.0816 -0.86
+  153.0656 C5H7N5O- 1 153.0656 -0.28
+  155.0812 C5H9N5O- 1 155.0813 -0.2
+  160.0752 C8H8N4- 1 160.0754 -1.51
+  163.0372 C5H3N6O- 1 163.0374 -1.08
+  163.0499 C6H5N5O- 1 163.05 -0.16
+  165.0654 C6H7N5O- 1 165.0656 -1.08
+  165.1015 C7H11N5- 1 165.102 -2.89
+  166.061 C5H6N6O- 1 166.0609 0.91
+  167.0448 C5H5N5O2- 1 167.0449 -0.38
+  168.0763 C5H8N6O- 1 168.0765 -1.28
+  169.0965 C6H11N5O- 1 169.0969 -2.61
+  170.0922 C5H10N6O- 1 170.0922 0.42
+  176.0451 C6H4N6O- 1 176.0452 -0.61
+  178.061 C6H6N6O- 1 178.0609 0.66
+  179.0447 C6H5N5O2- 1 179.0449 -1.24
+  179.1173 C8H13N5- 1 179.1176 -1.69
+  181.133 C8H15N5- 1 181.1333 -1.45
+  190.0607 C7H6N6O- 1 190.0609 -0.9
+  192.0767 C7H8N6O- 1 192.0765 1.21
+  208.1439 C9H16N6- 1 208.1442 -1.4
+  209.128 C9H15N5O- 1 209.1282 -0.84
+  210.0868 C7H10N6O2- 1 210.0871 -1.36
+  226.1544 C9H18N6O- 3 226.1548 -1.62
+  264.0979 C10H12N6O3- 2 264.0976 0.85
+PK$NUM_PEAK: 79
+PK$PEAK: m/z int. rel.int.
+  106.041 5308236.5 48
+  107.0238 1745031.8 16
+  108.0079 3129539.8 28
+  108.0316 4067461.5 37
+  108.044 4063155 37
+  109.0393 7183175 65
+  110.0234 4063160.8 37
+  110.0597 2628626.2 24
+  111.0187 7318146 67
+  111.055 17458168 160
+  112.0389 2609495 23
+  113.0343 6374651.5 58
+  113.0706 39554064 363
+  114.0547 4531947.5 41
+  119.0489 4246946.5 39
+  120.0191 2076835.9 19
+  121.0394 16557177 152
+  122.0238 1358104.9 12
+  122.0596 1884213 17
+  123.0188 1770032.4 16
+  123.055 11068923 101
+  124.0264 2215346.8 20
+  124.039 10165396 93
+  125.0343 27392334 251
+  125.0707 3514464.2 32
+  126.0546 1480458 13
+  127.0499 21207246 194
+  128.034 5071032 46
+  129.1021 7570721 69
+  130.0606 1615327 14
+  133.0393 1731299.8 15
+  135.0188 3426301.2 31
+  135.055 6353633.5 58
+  136.039 2782835.5 25
+  136.0504 1446961.5 13
+  137.0342 2442730.2 22
+  137.0707 3633693.5 33
+  138.0548 4504831 41
+  138.066 6792081 62
+  139.05 18592568 170
+  139.0863 4813719.5 44
+  140.0816 1528929.1 14
+  141.0656 2976679.2 27
+  144.1017 70953264 651
+  146.0598 2415389.2 22
+  147.055 2259735.5 20
+  148.0505 1453411 13
+  149.0344 1595201.9 14
+  149.0706 2631029.8 24
+  150.0545 1371617.8 12
+  150.066 1256096.5 11
+  151.0138 1746394.5 16
+  151.05 5599151 51
+  151.0863 2374355 21
+  152.0815 5141640.5 47
+  153.0656 108780096 999
+  155.0812 5284909 48
+  160.0752 1462293.2 13
+  163.0372 3215114.2 29
+  163.0499 9466249 86
+  165.0654 7368455.5 67
+  165.1015 1166382.1 10
+  166.061 1433653.2 13
+  167.0448 1965242.9 18
+  168.0763 1844969.6 16
+  169.0965 1376537.1 12
+  170.0922 3114943.8 28
+  176.0451 3123550.2 28
+  178.061 4594122.5 42
+  179.0447 9545850 87
+  179.1173 1765698 16
+  181.133 6717342.5 61
+  190.0607 1705176.9 15
+  192.0767 1168636.9 10
+  208.1439 3694492.8 33
+  209.128 3264236.2 29
+  210.0868 4908789.5 45
+  226.1544 9010568 82
+  264.0979 1465996.9 13
+//
diff --git a/Eawag/MSBNK-MLU-ED025901.txt b/Eawag/MSBNK-MLU-ED025901.txt
new file mode 100644
index 0000000000..1e1a99e36f
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED025901.txt
@@ -0,0 +1,59 @@
+ACCESSION: MSBNK-MLU-ED025901
+RECORD_TITLE: Tychonamide B; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], C. Mehner  [dtc], G. M. Koenig  [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 259
+CH$NAME: Tychonamide B
+CH$NAME: [1-[(3S,12R,19S,25R,28S,31E,34S,37R,40S)-12-(3-amino-3-oxopropyl)-37-[(2S)-butan-2-yl]-31-ethylidene-15-hydroxy-28-[(1R)-1-hydroxyethyl]-34-(hydroxymethyl)-2,8,11,14,18,24,27,30,33,36,39-undecaoxo-25-(2-phenylethyl)-1,7,10,13,17,23,26,29,32,35,38-undecazatetracyclo[38.3.0.03,7.019,23]tritetracontan-16-yl]-4-hydroxy-5-phenylpentan-2-yl] (2S)-2-[acetyl(methyl)amino]-4-methylpentanoate
+CH$NAME: 1-((6R,9S,15S,18R,20aS,25aS,34R,40aS,E)-34-(3-amino-3-oxopropyl)-18-((S)-sec-butyl)-12-ethylidene-37-hydroxy-9-((R)-1-hydroxyethyl)-15-(hydroxymethyl)-5,8,11,14,17,20,25,30,33,36,40-undecaoxo-6-phenethyloctatriacontahydro-1H,25H-tripyrrolo[1,2-b1:1`,2`-g:1``,2``-j][1,4,7,10,13,16,19,22,25,28,31]undecaazacyclotetratriacontin-38-yl)-4-hydroxy-5-phenylpentan-2-yl N-acetyl-N-methyl-L-leucinate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C72H105N13O19
+CH$EXACT_MASS: 1455.764968
+CH$SMILES: O=C([C@@H](CCC(N)=O)NC1=O)NCC(N2[C@@H](CCC2)C(N3[C@@H](CCC3)C(N[C@H]([C@@H](C)CC)C(N[C@@H](CO)C(N/C(C(N[C@@H]([C@@H](C)O)C(N[C@H](CCC4=CC=CC=C4)C(N5[C@@H](CCC5)C(NC(CC(OC([C@H](CC(C)C)N(C)C(C)=O)=O)CC(O)CC6=CC=CC=C6)C1O)=O)=O)=O)=O)=C/C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C72H105N13O19/c1-9-41(5)59-67(98)79-52(39-86)64(95)75-48(10-2)63(94)81-60(42(6)87)68(99)77-50(28-27-44-20-13-11-14-21-44)70(101)84-32-17-24-53(84)65(96)78-51(37-47(36-46(89)35-45-22-15-12-16-23-45)104-72(103)56(34-40(3)4)82(8)43(7)88)61(92)69(100)76-49(29-30-57(73)90)62(93)74-38-58(91)83-31-19-26-55(83)71(102)85-33-18-25-54(85)66(97)80-59/h10-16,20-23,40-42,46-47,49-56,59-61,86-87,89,92H,9,17-19,24-39H2,1-8H3,(H2,73,90)(H,74,93)(H,75,95)(H,76,100)(H,77,99)(H,78,96)(H,79,98)(H,80,97)(H,81,94)/b48-10+/t41-,42+,46?,47?,49+,50+,51?,52-,53-,54-,55-,56-,59+,60-,61?/m0/s1
+CH$LINK: PUBCHEM CID:155802199
+CH$LINK: INCHIKEY MTUBMTPWQGVXCG-UDDZTRNDSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 100-1505
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.727 min
+MS$FOCUSED_ION: BASE_PEAK 1456.7718
+MS$FOCUSED_ION: PRECURSOR_M/Z 1456.7722
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 1343738412.62
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0a4i-0010900000-5b4beb7971314a91d4ab
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  170.1173 C9H16NO2+ 1 170.1176 -1.72
+  1252.6249 C63H86N11O16+ 13 1252.6249 0.07
+  1269.6516 C63H89N12O16+ 11 1269.6514 0.13
+  1287.6617 C63H91N12O17+ 9 1287.662 -0.19
+  1421.7361 C72H101N12O18+ 1 1421.7351 0.68
+  1438.7632 C72H104N13O18+ 1 1438.7617 1.07
+  1439.7445 C72H103N12O19+ 1 1439.7457 -0.8
+  1456.7702 C72H106N13O19+ 1 1456.7722 -1.4
+PK$NUM_PEAK: 8
+PK$PEAK: m/z int. rel.int.
+  170.1173 51008056 25
+  1252.6249 20273538 10
+  1269.6516 229197216 113
+  1287.6617 128336008 63
+  1421.7361 44425888 22
+  1438.7632 248360336 123
+  1439.7445 98751472 48
+  1456.7702 2016947840 999
+//
diff --git a/Eawag/MSBNK-MLU-ED025902.txt b/Eawag/MSBNK-MLU-ED025902.txt
new file mode 100644
index 0000000000..a900964335
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED025902.txt
@@ -0,0 +1,85 @@
+ACCESSION: MSBNK-MLU-ED025902
+RECORD_TITLE: Tychonamide B; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], C. Mehner  [dtc], G. M. Koenig  [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 259
+CH$NAME: Tychonamide B
+CH$NAME: [1-[(3S,12R,19S,25R,28S,31E,34S,37R,40S)-12-(3-amino-3-oxopropyl)-37-[(2S)-butan-2-yl]-31-ethylidene-15-hydroxy-28-[(1R)-1-hydroxyethyl]-34-(hydroxymethyl)-2,8,11,14,18,24,27,30,33,36,39-undecaoxo-25-(2-phenylethyl)-1,7,10,13,17,23,26,29,32,35,38-undecazatetracyclo[38.3.0.03,7.019,23]tritetracontan-16-yl]-4-hydroxy-5-phenylpentan-2-yl] (2S)-2-[acetyl(methyl)amino]-4-methylpentanoate
+CH$NAME: 1-((6R,9S,15S,18R,20aS,25aS,34R,40aS,E)-34-(3-amino-3-oxopropyl)-18-((S)-sec-butyl)-12-ethylidene-37-hydroxy-9-((R)-1-hydroxyethyl)-15-(hydroxymethyl)-5,8,11,14,17,20,25,30,33,36,40-undecaoxo-6-phenethyloctatriacontahydro-1H,25H-tripyrrolo[1,2-b1:1`,2`-g:1``,2``-j][1,4,7,10,13,16,19,22,25,28,31]undecaazacyclotetratriacontin-38-yl)-4-hydroxy-5-phenylpentan-2-yl N-acetyl-N-methyl-L-leucinate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C72H105N13O19
+CH$EXACT_MASS: 1455.764968
+CH$SMILES: O=C([C@@H](CCC(N)=O)NC1=O)NCC(N2[C@@H](CCC2)C(N3[C@@H](CCC3)C(N[C@H]([C@@H](C)CC)C(N[C@@H](CO)C(N/C(C(N[C@@H]([C@@H](C)O)C(N[C@H](CCC4=CC=CC=C4)C(N5[C@@H](CCC5)C(NC(CC(OC([C@H](CC(C)C)N(C)C(C)=O)=O)CC(O)CC6=CC=CC=C6)C1O)=O)=O)=O)=O)=C/C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C72H105N13O19/c1-9-41(5)59-67(98)79-52(39-86)64(95)75-48(10-2)63(94)81-60(42(6)87)68(99)77-50(28-27-44-20-13-11-14-21-44)70(101)84-32-17-24-53(84)65(96)78-51(37-47(36-46(89)35-45-22-15-12-16-23-45)104-72(103)56(34-40(3)4)82(8)43(7)88)61(92)69(100)76-49(29-30-57(73)90)62(93)74-38-58(91)83-31-19-26-55(83)71(102)85-33-18-25-54(85)66(97)80-59/h10-16,20-23,40-42,46-47,49-56,59-61,86-87,89,92H,9,17-19,24-39H2,1-8H3,(H2,73,90)(H,74,93)(H,75,95)(H,76,100)(H,77,99)(H,78,96)(H,79,98)(H,80,97)(H,81,94)/b48-10+/t41-,42+,46?,47?,49+,50+,51?,52-,53-,54-,55-,56-,59+,60-,61?/m0/s1
+CH$LINK: PUBCHEM CID:155802199
+CH$LINK: INCHIKEY MTUBMTPWQGVXCG-UDDZTRNDSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 100-1505
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.727 min
+MS$FOCUSED_ION: BASE_PEAK 1456.7718
+MS$FOCUSED_ION: PRECURSOR_M/Z 1456.7722
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 1343738412.62
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0a4i-0230900000-dc57a4cf33d9f5aa7e87
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  141.0748 C2H11N3O4+ 1 141.0744 2.91
+  142.1224 C8H16NO+ 1 142.1226 -1.42
+  170.1173 C9H16NO2+ 1 170.1176 -1.72
+  473.2391 C23H27N11O+ 15 473.2395 -0.81
+  478.2655 C37H34+ 16 478.2655 0.05
+  660.3603 C32H44N12O4+ 21 660.3603 -0.05
+  717.3774 C44H51N3O6+ 20 717.3772 0.26
+  906.4714 C58H56N11+ 27 906.4715 -0.03
+  1194.6404 C58H88N11O16+ 20 1194.6405 -0.1
+  1233.6319 C65H87N9O15+ 15 1233.6316 0.21
+  1252.6243 C63H86N11O16+ 13 1252.6249 -0.42
+  1269.6513 C63H89N12O16+ 11 1269.6514 -0.06
+  1287.6611 C63H91N12O17+ 10 1287.662 -0.66
+  1410.7677 C71H104N13O17+ 1 1410.7668 0.67
+  1412.7535 C71H104N12O18+ 2 1412.7586 -3.58
+  1420.7523 C72H102N13O17+ 1 1420.7511 0.86
+  1421.7348 C72H101N12O18+ 1 1421.7351 -0.26
+  1428.7772 C71H106N13O18+ 1 1428.7773 -0.06
+  1438.7619 C72H104N13O18+ 1 1438.7617 0.14
+  1439.742 C72H103N12O19+ 1 1439.7457 -2.58
+  1456.7708 C72H106N13O19+ 1 1456.7722 -0.98
+PK$NUM_PEAK: 21
+PK$PEAK: m/z int. rel.int.
+  141.0748 20167088 21
+  142.1224 84105776 91
+  170.1173 218933984 238
+  473.2391 9207883 10
+  478.2655 15842998 17
+  660.3603 19227094 20
+  717.3774 10754252 11
+  906.4714 10898831 11
+  1194.6404 55771920 60
+  1233.6319 16326331 17
+  1252.6243 48850344 53
+  1269.6513 341089088 371
+  1287.6611 92724704 100
+  1410.7677 9625750 10
+  1412.7535 18193642 19
+  1420.7523 34675632 37
+  1421.7348 30387882 33
+  1428.7772 51551924 56
+  1438.7619 237393040 258
+  1439.742 50450348 54
+  1456.7708 917633024 999
+//
diff --git a/Eawag/MSBNK-MLU-ED025903.txt b/Eawag/MSBNK-MLU-ED025903.txt
new file mode 100644
index 0000000000..88c7dcd5b1
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED025903.txt
@@ -0,0 +1,141 @@
+ACCESSION: MSBNK-MLU-ED025903
+RECORD_TITLE: Tychonamide B; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], C. Mehner  [dtc], G. M. Koenig  [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 259
+CH$NAME: Tychonamide B
+CH$NAME: [1-[(3S,12R,19S,25R,28S,31E,34S,37R,40S)-12-(3-amino-3-oxopropyl)-37-[(2S)-butan-2-yl]-31-ethylidene-15-hydroxy-28-[(1R)-1-hydroxyethyl]-34-(hydroxymethyl)-2,8,11,14,18,24,27,30,33,36,39-undecaoxo-25-(2-phenylethyl)-1,7,10,13,17,23,26,29,32,35,38-undecazatetracyclo[38.3.0.03,7.019,23]tritetracontan-16-yl]-4-hydroxy-5-phenylpentan-2-yl] (2S)-2-[acetyl(methyl)amino]-4-methylpentanoate
+CH$NAME: 1-((6R,9S,15S,18R,20aS,25aS,34R,40aS,E)-34-(3-amino-3-oxopropyl)-18-((S)-sec-butyl)-12-ethylidene-37-hydroxy-9-((R)-1-hydroxyethyl)-15-(hydroxymethyl)-5,8,11,14,17,20,25,30,33,36,40-undecaoxo-6-phenethyloctatriacontahydro-1H,25H-tripyrrolo[1,2-b1:1`,2`-g:1``,2``-j][1,4,7,10,13,16,19,22,25,28,31]undecaazacyclotetratriacontin-38-yl)-4-hydroxy-5-phenylpentan-2-yl N-acetyl-N-methyl-L-leucinate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C72H105N13O19
+CH$EXACT_MASS: 1455.764968
+CH$SMILES: O=C([C@@H](CCC(N)=O)NC1=O)NCC(N2[C@@H](CCC2)C(N3[C@@H](CCC3)C(N[C@H]([C@@H](C)CC)C(N[C@@H](CO)C(N/C(C(N[C@@H]([C@@H](C)O)C(N[C@H](CCC4=CC=CC=C4)C(N5[C@@H](CCC5)C(NC(CC(OC([C@H](CC(C)C)N(C)C(C)=O)=O)CC(O)CC6=CC=CC=C6)C1O)=O)=O)=O)=O)=C/C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C72H105N13O19/c1-9-41(5)59-67(98)79-52(39-86)64(95)75-48(10-2)63(94)81-60(42(6)87)68(99)77-50(28-27-44-20-13-11-14-21-44)70(101)84-32-17-24-53(84)65(96)78-51(37-47(36-46(89)35-45-22-15-12-16-23-45)104-72(103)56(34-40(3)4)82(8)43(7)88)61(92)69(100)76-49(29-30-57(73)90)62(93)74-38-58(91)83-31-19-26-55(83)71(102)85-33-18-25-54(85)66(97)80-59/h10-16,20-23,40-42,46-47,49-56,59-61,86-87,89,92H,9,17-19,24-39H2,1-8H3,(H2,73,90)(H,74,93)(H,75,95)(H,76,100)(H,77,99)(H,78,96)(H,79,98)(H,80,97)(H,81,94)/b48-10+/t41-,42+,46?,47?,49+,50+,51?,52-,53-,54-,55-,56-,59+,60-,61?/m0/s1
+CH$LINK: PUBCHEM CID:155802199
+CH$LINK: INCHIKEY MTUBMTPWQGVXCG-UDDZTRNDSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 100-1505
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.727 min
+MS$FOCUSED_ION: BASE_PEAK 1456.7718
+MS$FOCUSED_ION: PRECURSOR_M/Z 1456.7722
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 1343738412.62
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00dl-0923400000-e935658962272236e719
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  115.0865 C5H11N2O+ 1 115.0866 -0.44
+  127.0864 C6H11N2O+ 1 127.0866 -1.45
+  134.0961 C9H12N+ 1 134.0964 -2.43
+  141.0749 C2H11N3O4+ 1 141.0744 3.67
+  142.1225 C8H16NO+ 1 142.1226 -0.78
+  155.0812 C7H11N2O2+ 1 155.0815 -1.76
+  170.1174 C9H16NO2+ 1 170.1176 -1.18
+  183.1487 C10H19N2O+ 2 183.1492 -2.58
+  211.1438 C11H19N2O2+ 2 211.1441 -1.63
+  212.1387 C10H18N3O2+ 2 212.1394 -3.05
+  252.134 C12H18N3O3+ 2 252.1343 -1.25
+  263.1389 C14H19N2O3+ 4 263.139 -0.6
+  299.1754 C18H23N2O2+ 6 299.1754 -0.15
+  308.1971 C16H26N3O3+ 7 308.1969 0.62
+  317.1866 C5H33O14+ 7 317.1865 0.35
+  328.1664 C5H30NO14+ 6 328.1661 0.95
+  337.2242 C4H37N2O14+ 8 337.2239 0.82
+  341.1497 C19H21N2O4+ 7 341.1496 0.2
+  353.1831 C17H21N8O+ 9 353.1833 -0.51
+  362.2086 C6H36NO15+ 8 362.2079 1.67
+  365.2196 C19H25N8+ 8 365.2197 -0.14
+  367.2352 C19H27N8+ 8 367.2353 -0.29
+  377.2191 C6H37N2O15+ 9 377.2188 0.62
+  381.215 C5H27N13O7+ 11 381.2151 -0.12
+  395.2292 C5H33N9O11+ 12 395.2294 -0.41
+  448.2568 C9H42N3O16+ 13 448.256 1.82
+  452.2501 C35H32+ 14 452.2499 0.51
+  460.2554 C22H28N12+ 14 460.2554 -0.19
+  495.2251 C27H27N8O2+ 14 495.2251 -0.09
+  504.3068 C27H42N3O6+ 14 504.3068 0.01
+  512.2503 C25H28N12O+ 15 512.2504 -0.11
+  530.2605 C40H34O+ 17 530.2604 0.24
+  561.3038 C14H49N4O18+ 17 561.3036 0.31
+  645.3294 C37H41N8O3+ 18 645.3296 -0.36
+  837.45 C56H59N3O4+ 26 837.45 0.03
+  1007.519 C62H63N12O2+ 27 1007.5191 -0.15
+  1194.6404 C58H88N11O16+ 20 1194.6405 -0.1
+  1233.6321 C65H87N9O15+ 14 1233.6316 0.41
+  1252.624 C63H86N11O16+ 13 1252.6249 -0.71
+  1269.6514 C63H89N12O16+ 11 1269.6514 0.04
+  1287.662 C63H91N12O17+ 9 1287.662 0
+  1410.7683 C71H104N13O17+ 1 1410.7668 1.1
+  1412.7593 C71H104N12O18+ 1 1412.7586 0.48
+  1420.7532 C72H102N13O17+ 1 1420.7511 1.46
+  1421.7284 C72H101N12O18+ 2 1421.7351 -4.73
+  1428.7768 C71H106N13O18+ 1 1428.7773 -0.4
+  1438.7627 C72H104N13O18+ 1 1438.7617 0.73
+  1439.7398 C72H103N12O19+ 2 1439.7457 -4.1
+  1456.7722 C72H106N13O19+ 1 1456.7722 -0.06
+PK$NUM_PEAK: 49
+PK$PEAK: m/z int. rel.int.
+  115.0865 17916016 54
+  127.0864 4051039 12
+  134.0961 4852047.5 14
+  141.0749 6819019.5 20
+  142.1225 211019840 647
+  155.0812 8569221 26
+  170.1174 325746112 999
+  183.1487 4440625.5 13
+  211.1438 3327465.2 10
+  212.1387 4124226.2 12
+  252.134 6787387.5 20
+  263.1389 6008003.5 18
+  299.1754 11463009 35
+  308.1971 22433180 68
+  317.1866 10763962 33
+  328.1664 6253818 19
+  337.2242 10410753 31
+  341.1497 4467598 13
+  353.1831 6005509.5 18
+  362.2086 10252080 31
+  365.2196 15670073 48
+  367.2352 19978920 61
+  377.2191 30481788 93
+  381.215 5211917.5 15
+  395.2292 94225072 288
+  448.2568 7145349 21
+  452.2501 22518914 69
+  460.2554 22341954 68
+  495.2251 5144302.5 15
+  504.3068 15869488 48
+  512.2503 9353677 28
+  530.2605 32323084 99
+  561.3038 14335158 43
+  645.3294 6750709 20
+  837.45 34073772 104
+  1007.519 51319548 157
+  1194.6404 64605256 198
+  1233.6321 17599468 53
+  1252.624 17621020 54
+  1269.6514 121076208 371
+  1287.662 23770844 72
+  1410.7683 14661317 44
+  1412.7593 8913059 27
+  1420.7532 11105363 34
+  1421.7284 5671895.5 17
+  1428.7768 66245016 203
+  1438.7627 56515948 173
+  1439.7398 8183942.5 25
+  1456.7722 107413800 329
+//
diff --git a/Eawag/MSBNK-MLU-ED025904.txt b/Eawag/MSBNK-MLU-ED025904.txt
new file mode 100644
index 0000000000..bc1fb8846e
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED025904.txt
@@ -0,0 +1,211 @@
+ACCESSION: MSBNK-MLU-ED025904
+RECORD_TITLE: Tychonamide B; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], C. Mehner  [dtc], G. M. Koenig  [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 259
+CH$NAME: Tychonamide B
+CH$NAME: [1-[(3S,12R,19S,25R,28S,31E,34S,37R,40S)-12-(3-amino-3-oxopropyl)-37-[(2S)-butan-2-yl]-31-ethylidene-15-hydroxy-28-[(1R)-1-hydroxyethyl]-34-(hydroxymethyl)-2,8,11,14,18,24,27,30,33,36,39-undecaoxo-25-(2-phenylethyl)-1,7,10,13,17,23,26,29,32,35,38-undecazatetracyclo[38.3.0.03,7.019,23]tritetracontan-16-yl]-4-hydroxy-5-phenylpentan-2-yl] (2S)-2-[acetyl(methyl)amino]-4-methylpentanoate
+CH$NAME: 1-((6R,9S,15S,18R,20aS,25aS,34R,40aS,E)-34-(3-amino-3-oxopropyl)-18-((S)-sec-butyl)-12-ethylidene-37-hydroxy-9-((R)-1-hydroxyethyl)-15-(hydroxymethyl)-5,8,11,14,17,20,25,30,33,36,40-undecaoxo-6-phenethyloctatriacontahydro-1H,25H-tripyrrolo[1,2-b1:1`,2`-g:1``,2``-j][1,4,7,10,13,16,19,22,25,28,31]undecaazacyclotetratriacontin-38-yl)-4-hydroxy-5-phenylpentan-2-yl N-acetyl-N-methyl-L-leucinate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C72H105N13O19
+CH$EXACT_MASS: 1455.764968
+CH$SMILES: O=C([C@@H](CCC(N)=O)NC1=O)NCC(N2[C@@H](CCC2)C(N3[C@@H](CCC3)C(N[C@H]([C@@H](C)CC)C(N[C@@H](CO)C(N/C(C(N[C@@H]([C@@H](C)O)C(N[C@H](CCC4=CC=CC=C4)C(N5[C@@H](CCC5)C(NC(CC(OC([C@H](CC(C)C)N(C)C(C)=O)=O)CC(O)CC6=CC=CC=C6)C1O)=O)=O)=O)=O)=C/C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C72H105N13O19/c1-9-41(5)59-67(98)79-52(39-86)64(95)75-48(10-2)63(94)81-60(42(6)87)68(99)77-50(28-27-44-20-13-11-14-21-44)70(101)84-32-17-24-53(84)65(96)78-51(37-47(36-46(89)35-45-22-15-12-16-23-45)104-72(103)56(34-40(3)4)82(8)43(7)88)61(92)69(100)76-49(29-30-57(73)90)62(93)74-38-58(91)83-31-19-26-55(83)71(102)85-33-18-25-54(85)66(97)80-59/h10-16,20-23,40-42,46-47,49-56,59-61,86-87,89,92H,9,17-19,24-39H2,1-8H3,(H2,73,90)(H,74,93)(H,75,95)(H,76,100)(H,77,99)(H,78,96)(H,79,98)(H,80,97)(H,81,94)/b48-10+/t41-,42+,46?,47?,49+,50+,51?,52-,53-,54-,55-,56-,59+,60-,61?/m0/s1
+CH$LINK: PUBCHEM CID:155802199
+CH$LINK: INCHIKEY MTUBMTPWQGVXCG-UDDZTRNDSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 100-1505
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.727 min
+MS$FOCUSED_ION: BASE_PEAK 1456.7718
+MS$FOCUSED_ION: PRECURSOR_M/Z 1456.7722
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 1343738412.62
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00dl-0924210000-5eda53c131768c620f44
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  115.0865 C5H11N2O+ 1 115.0866 -0.51
+  116.0705 C5H10NO2+ 1 116.0706 -0.8
+  117.0695 C9H9+ 1 117.0699 -3.03
+  126.0547 C6H8NO2+ 1 126.055 -1.86
+  126.0911 C7H12NO+ 1 126.0913 -1.99
+  127.0864 C6H11N2O+ 1 127.0866 -1.15
+  129.0703 C10H9+ 1 129.0699 3.01
+  134.0963 C9H12N+ 1 134.0964 -1.06
+  142.1226 C8H16NO+ 1 142.1226 -0.57
+  155.0813 C7H11N2O2+ 1 155.0815 -1.46
+  157.0977 C7H13N2O2+ 1 157.0972 3.19
+  167.1178 C9H15N2O+ 1 167.1179 -0.66
+  170.1174 C9H16NO2+ 1 170.1176 -1.18
+  173.0949 C10H11N3+ 1 173.0947 0.99
+  181.0966 C9H13N2O2+ 2 181.0972 -3.07
+  183.1489 C10H19N2O+ 1 183.1492 -1.58
+  186.1274 C13H16N+ 1 186.1277 -1.7
+  188.1279 C9H18NO3+ 1 188.1281 -1.29
+  190.1224 C12H16NO+ 1 190.1226 -1.53
+  195.0806 C14H11O+ 2 195.0804 0.61
+  195.1123 C8H13N5O+ 2 195.1115 4.53
+  197.1281 C10H17N2O2+ 1 197.1285 -1.71
+  202.1218 C13H16NO+ 2 202.1226 -4.15
+  211.1438 C11H19N2O2+ 2 211.1441 -1.49
+  212.1081 H16N6O7+ 3 212.1075 3.04
+  212.1388 C10H18N3O2+ 2 212.1394 -2.4
+  213.0906 C14H13O2+ 3 213.091 -1.8
+  214.0821 C8H12N3O4+ 1 214.0822 -0.6
+  224.1386 C9H16N6O+ 2 224.138 2.83
+  230.1172 C14H16NO2+ 3 230.1176 -1.42
+  231.1488 C14H19N2O+ 4 231.1492 -1.71
+  235.1435 C13H19N2O2+ 3 235.1441 -2.67
+  238.1178 C11H16N3O3+ 2 238.1186 -3.35
+  248.1274 C14H18NO3+ 3 248.1281 -2.74
+  252.1338 C12H18N3O3+ 2 252.1343 -1.67
+  254.1132 C11H16N3O4+ 2 254.1135 -1.33
+  259.1435 H25N3O12+ 5 259.1433 0.9
+  263.1387 C14H19N2O3+ 4 263.139 -1.3
+  266.1134 C12H16N3O4+ 2 266.1135 -0.53
+  269.1628 H25N6O10+ 5 269.1627 0.65
+  270.1805 C13H24N3O3+ 3 270.1812 -2.67
+  271.1807 C17H23N2O+ 5 271.1805 0.65
+  280.2019 C15H26N3O2+ 6 280.202 -0.02
+  281.1243 C12H17N4O4+ 3 281.1244 -0.6
+  283.14 C12H19N4O4+ 5 283.1401 -0.26
+  298.1764 H26N8O10+ 5 298.1766 -0.76
+  299.1755 C18H23N2O2+ 6 299.1754 0.15
+  308.1971 C16H26N3O3+ 6 308.1969 0.81
+  317.1864 C4H27N7O9+ 7 317.1865 -0.31
+  323.1383 C17H17N5O2+ 8 323.1377 1.86
+  327.17 C19H23N2O3+ 6 327.1703 -1.03
+  328.1665 C5H30NO14+ 6 328.1661 1.23
+  335.1721 C3H31N2O15+ 9 335.1719 0.56
+  337.224 C4H37N2O14+ 8 337.2239 0.1
+  341.1489 C4H27N3O14+ 8 341.1488 0.39
+  344.1976 C6H34NO14+ 8 344.1974 0.67
+  346.177 C5H32NO15+ 9 346.1766 0.88
+  353.1832 C17H21N8O+ 9 353.1833 -0.25
+  358.1769 C20H20N7+ 9 358.1775 -1.68
+  359.1634 C9H29NO13+ 8 359.1633 0.15
+  362.2086 C6H36NO15+ 8 362.2079 1.75
+  367.2353 C19H27N8+ 8 367.2353 -0.04
+  377.219 C6H37N2O15+ 9 377.2188 0.29
+  381.2141 C5H27N13O7+ 11 381.2151 -2.52
+  395.2293 C5H33N9O11+ 12 395.2294 -0.34
+  445.2443 C8H39N5O15+ 14 445.2437 1.23
+  448.2562 C9H42N3O16+ 13 448.256 0.59
+  452.2498 C35H32+ 14 452.2499 -0.1
+  455.2287 C23H25N11+ 14 455.2289 -0.32
+  460.2553 C22H28N12+ 14 460.2554 -0.32
+  473.2392 C23H27N11O+ 13 473.2395 -0.61
+  478.2655 C37H34+ 16 478.2655 0.05
+  504.3069 C27H42N3O6+ 14 504.3068 0.13
+  512.2503 C25H28N12O+ 15 512.2504 -0.11
+  530.2604 C40H34O+ 17 530.2604 -0.11
+  561.3037 C14H49N4O18+ 18 561.3036 0.2
+  609.304 C18H49N4O18+ 18 609.3036 0.55
+  645.3294 C37H41N8O3+ 18 645.3296 -0.27
+  660.3601 C32H44N12O4+ 19 660.3603 -0.23
+  717.3793 C44H51N3O6+ 22 717.3772 2.9
+  837.45 C56H59N3O4+ 26 837.45 -0.04
+  906.4713 C58H56N11+ 27 906.4715 -0.16
+  1007.5188 C62H63N12O2+ 29 1007.5191 -0.39
+  1428.7771 C71H106N13O18+ 1 1428.7773 -0.14
+PK$NUM_PEAK: 84
+PK$PEAK: m/z int. rel.int.
+  115.0865 42494472 133
+  116.0705 6220814 19
+  117.0695 4657996.5 14
+  126.0547 7841352.5 24
+  126.0911 4485617 14
+  127.0864 21223032 66
+  129.0703 5246096.5 16
+  134.0963 23126092 72
+  142.1226 317126848 999
+  155.0813 38059656 119
+  157.0977 3750177.2 11
+  167.1178 11312353 35
+  170.1174 291544480 918
+  173.0949 7708089 24
+  181.0966 5210336 16
+  183.1489 25465840 80
+  186.1274 14518947 45
+  188.1279 5706402.5 17
+  190.1224 9100095 28
+  195.0806 7263850 22
+  195.1123 12451727 39
+  197.1281 8211759.5 25
+  202.1218 4696499.5 14
+  211.1438 20269280 63
+  212.1081 3580048.2 11
+  212.1388 12134018 38
+  213.0906 3250298.2 10
+  214.0821 3535998.5 11
+  224.1386 3280409.8 10
+  230.1172 8226988.5 25
+  231.1488 5694575.5 17
+  235.1435 13798234 43
+  238.1178 5954290.5 18
+  248.1274 4634046.5 14
+  252.1338 26369096 83
+  254.1132 6904992 21
+  259.1435 5616535 17
+  263.1387 16290045 51
+  266.1134 12557909 39
+  269.1628 7531264.5 23
+  270.1805 4985953 15
+  271.1807 3547496.8 11
+  280.2019 35722948 112
+  281.1243 5735301 18
+  283.14 3764491.5 11
+  298.1764 26488764 83
+  299.1755 38779460 122
+  308.1971 49796080 156
+  317.1864 46398376 146
+  323.1383 5084642.5 16
+  327.17 3798115.2 11
+  328.1665 12247954 38
+  335.1721 6126741 19
+  337.224 24098560 75
+  341.1489 14320488 45
+  344.1976 12130705 38
+  346.177 6613523 20
+  353.1832 10344223 32
+  358.1769 4956575 15
+  359.1634 4744146.5 14
+  362.2086 28743952 90
+  367.2353 22901256 72
+  377.219 38017888 119
+  381.2141 17967868 56
+  395.2293 89104912 280
+  445.2443 15756934 49
+  448.2562 16159170 50
+  452.2498 17497520 55
+  455.2287 22971198 72
+  460.2553 41682780 131
+  473.2392 50536664 159
+  478.2655 82292480 259
+  504.3069 19389034 61
+  512.2503 16922192 53
+  530.2604 35999968 113
+  561.3037 27279798 85
+  609.304 8202972 25
+  645.3294 6524092 20
+  660.3601 17326978 54
+  717.3793 9033862 28
+  837.45 21447148 67
+  906.4713 12386417 39
+  1007.5188 24374956 76
+  1428.7771 9544129 30
+//
diff --git a/Eawag/MSBNK-MLU-ED025905.txt b/Eawag/MSBNK-MLU-ED025905.txt
new file mode 100644
index 0000000000..bbe7259e63
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED025905.txt
@@ -0,0 +1,301 @@
+ACCESSION: MSBNK-MLU-ED025905
+RECORD_TITLE: Tychonamide B; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], C. Mehner  [dtc], G. M. Koenig  [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 259
+CH$NAME: Tychonamide B
+CH$NAME: [1-[(3S,12R,19S,25R,28S,31E,34S,37R,40S)-12-(3-amino-3-oxopropyl)-37-[(2S)-butan-2-yl]-31-ethylidene-15-hydroxy-28-[(1R)-1-hydroxyethyl]-34-(hydroxymethyl)-2,8,11,14,18,24,27,30,33,36,39-undecaoxo-25-(2-phenylethyl)-1,7,10,13,17,23,26,29,32,35,38-undecazatetracyclo[38.3.0.03,7.019,23]tritetracontan-16-yl]-4-hydroxy-5-phenylpentan-2-yl] (2S)-2-[acetyl(methyl)amino]-4-methylpentanoate
+CH$NAME: 1-((6R,9S,15S,18R,20aS,25aS,34R,40aS,E)-34-(3-amino-3-oxopropyl)-18-((S)-sec-butyl)-12-ethylidene-37-hydroxy-9-((R)-1-hydroxyethyl)-15-(hydroxymethyl)-5,8,11,14,17,20,25,30,33,36,40-undecaoxo-6-phenethyloctatriacontahydro-1H,25H-tripyrrolo[1,2-b1:1`,2`-g:1``,2``-j][1,4,7,10,13,16,19,22,25,28,31]undecaazacyclotetratriacontin-38-yl)-4-hydroxy-5-phenylpentan-2-yl N-acetyl-N-methyl-L-leucinate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C72H105N13O19
+CH$EXACT_MASS: 1455.764968
+CH$SMILES: O=C([C@@H](CCC(N)=O)NC1=O)NCC(N2[C@@H](CCC2)C(N3[C@@H](CCC3)C(N[C@H]([C@@H](C)CC)C(N[C@@H](CO)C(N/C(C(N[C@@H]([C@@H](C)O)C(N[C@H](CCC4=CC=CC=C4)C(N5[C@@H](CCC5)C(NC(CC(OC([C@H](CC(C)C)N(C)C(C)=O)=O)CC(O)CC6=CC=CC=C6)C1O)=O)=O)=O)=O)=C/C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C72H105N13O19/c1-9-41(5)59-67(98)79-52(39-86)64(95)75-48(10-2)63(94)81-60(42(6)87)68(99)77-50(28-27-44-20-13-11-14-21-44)70(101)84-32-17-24-53(84)65(96)78-51(37-47(36-46(89)35-45-22-15-12-16-23-45)104-72(103)56(34-40(3)4)82(8)43(7)88)61(92)69(100)76-49(29-30-57(73)90)62(93)74-38-58(91)83-31-19-26-55(83)71(102)85-33-18-25-54(85)66(97)80-59/h10-16,20-23,40-42,46-47,49-56,59-61,86-87,89,92H,9,17-19,24-39H2,1-8H3,(H2,73,90)(H,74,93)(H,75,95)(H,76,100)(H,77,99)(H,78,96)(H,79,98)(H,80,97)(H,81,94)/b48-10+/t41-,42+,46?,47?,49+,50+,51?,52-,53-,54-,55-,56-,59+,60-,61?/m0/s1
+CH$LINK: PUBCHEM CID:155802199
+CH$LINK: INCHIKEY MTUBMTPWQGVXCG-UDDZTRNDSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 100-1505
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.727 min
+MS$FOCUSED_ION: BASE_PEAK 1456.7718
+MS$FOCUSED_ION: PRECURSOR_M/Z 1456.7722
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 1343738412.62
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-000x-0941000000-842ecb612833257b8b19
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  101.0708 C4H9N2O+ 1 101.0709 -1.11
+  107.0493 C7H7O+ 1 107.0491 1.81
+  110.0601 C6H8NO+ 1 110.06 0.89
+  112.0756 C6H10NO+ 1 112.0757 -0.38
+  115.0542 C9H7+ 1 115.0542 -0.59
+  115.0865 C5H11N2O+ 1 115.0866 -0.51
+  116.0705 C5H10NO2+ 1 116.0706 -0.67
+  117.0697 C9H9+ 1 117.0699 -1.14
+  125.0708 C6H9N2O+ 1 125.0709 -0.9
+  126.0549 C6H8NO2+ 1 126.055 -0.65
+  126.0912 C7H12NO+ 1 126.0913 -0.77
+  127.0865 C6H11N2O+ 1 127.0866 -0.79
+  128.0705 C6H10NO2+ 1 128.0706 -0.54
+  129.0703 C10H9+ 1 129.0699 3.37
+  134.0963 C9H12N+ 1 134.0964 -0.84
+  138.1275 C9H16N+ 1 138.1277 -1.42
+  139.0863 C7H11N2O+ 1 139.0866 -1.87
+  140.0703 C7H10NO2+ 1 140.0706 -2.47
+  142.1226 C8H16NO+ 1 142.1226 -0.57
+  143.0854 C11H11+ 1 143.0855 -0.76
+  146.1174 C7H16NO2+ 1 146.1176 -1.08
+  153.102 C8H13N2O+ 1 153.1022 -1.71
+  155.0458 C6H7N2O3+ 1 155.0451 4.1
+  155.0814 C7H11N2O2+ 1 155.0815 -0.97
+  157.0979 C7H13N2O2+ 1 157.0972 4.45
+  161.0959 C11H13O+ 1 161.0961 -0.97
+  165.1018 C9H13N2O+ 1 165.1022 -2.48
+  167.1176 C9H15N2O+ 1 167.1179 -1.57
+  167.1542 C10H19N2+ 1 167.1543 -0.26
+  168.0765 C7H10N3O2+ 1 168.0768 -1.75
+  169.0607 C7H9N2O3+ 1 169.0608 -0.6
+  169.1008 C13H13+ 1 169.1012 -2.51
+  170.1174 C9H16NO2+ 1 170.1176 -1.1
+  171.0763 C7H11N2O3+ 1 171.0764 -0.56
+  171.1123 C8H15N2O2+ 2 171.1128 -3.11
+  172.1117 C12H14N+ 1 172.1121 -2.15
+  173.0948 C10H11N3+ 1 173.0947 0.02
+  179.1174 C10H15N2O+ 1 179.1179 -2.48
+  181.097 C9H13N2O2+ 1 181.0972 -1.05
+  183.0765 C8H11N2O3+ 1 183.0764 0.18
+  183.149 C10H19N2O+ 1 183.1492 -0.92
+  184.1114 C13H14N+ 1 184.1121 -3.72
+  185.0939 C11H11N3+ 1 185.0947 -4.49
+  186.1274 C13H16N+ 1 186.1277 -1.62
+  187.0711 C7H11N2O4+ 1 187.0713 -1.07
+  188.1279 C9H18NO3+ 1 188.1281 -1.21
+  190.1223 C12H16NO+ 1 190.1226 -1.69
+  193.0977 C10H13N2O2+ 1 193.0972 2.59
+  195.0804 C14H11O+ 2 195.0804 -0.09
+  195.1124 C8H13N5O+ 2 195.1115 4.84
+  195.1491 C11H19N2O+ 1 195.1492 -0.29
+  196.0723 C8H10N3O3+ 2 196.0717 3.01
+  197.0943 C12H11N3+ 1 197.0947 -2.49
+  197.1282 C10H17N2O2+ 1 197.1285 -1.48
+  199.1078 C9H15N2O3+ 1 199.1077 0.57
+  201.123 C9H17N2O3+ 2 201.1234 -1.79
+  202.1223 C13H16NO+ 1 202.1226 -1.59
+  207.1137 C11H15N2O2+ 1 207.1128 4.47
+  211.1438 C11H19N2O2+ 2 211.1441 -1.49
+  212.0663 C8H10N3O4+ 2 212.0666 -1.46
+  212.1068 H16N6O7+ 2 212.1075 -3.51
+  213.0904 C14H13O2+ 2 213.091 -2.88
+  214.082 C8H12N3O4+ 1 214.0822 -1.17
+  214.1221 C14H16NO+ 3 214.1226 -2.54
+  217.1333 C13H17N2O+ 2 217.1335 -1.1
+  220.1328 C13H18NO2+ 2 220.1332 -1.9
+  221.0918 C11H13N2O3+ 2 221.0921 -1.29
+  223.1434 C10H17N5O+ 2 223.1428 2.91
+  224.1037 C12H16O4+ 2 224.1043 -2.64
+  226.0822 C9H12N3O4+ 1 226.0822 -0.16
+  226.1182 C10H16N3O3+ 2 226.1186 -1.95
+  230.117 C14H16NO2+ 3 230.1176 -2.21
+  231.1487 C14H19N2O+ 4 231.1492 -2.24
+  235.1436 C13H19N2O2+ 3 235.1441 -2.08
+  238.1182 C11H16N3O3+ 2 238.1186 -1.56
+  240.1012 H20N2O12+ 5 240.1011 0.64
+  242.1493 C11H20N3O3+ 2 242.1499 -2.39
+  244.0922 C7H12N6O4+ 3 244.0915 2.85
+  247.1435 C14H19N2O2+ 4 247.1441 -2.39
+  248.127 C14H18NO3+ 2 248.1281 -4.34
+  250.1184 C12H16N3O3+ 2 250.1186 -0.76
+  252.1338 C12H18N3O3+ 2 252.1343 -1.67
+  254.1133 C11H16N3O4+ 2 254.1135 -0.73
+  254.1511 C14H22O4+ 3 254.1513 -0.83
+  257.1286 C15H17N2O2+ 4 257.1285 0.66
+  259.1436 H25N3O12+ 5 259.1433 1.26
+  260.1029 C13H14N3O3+ 3 260.103 -0.25
+  263.1386 C14H19N2O3+ 4 263.139 -1.64
+  264.0977 C12H14N3O4+ 2 264.0979 -0.55
+  265.154 H23N7O9+ 4 265.1552 -4.46
+  266.1131 C12H16N3O4+ 2 266.1135 -1.57
+  266.1491 C11H18N6O2+ 2 266.1486 1.96
+  269.163 H25N6O10+ 5 269.1627 1.11
+  270.1811 C13H24N3O3+ 3 270.1812 -0.41
+  271.18 C17H23N2O+ 6 271.1805 -1.94
+  275.139 C15H19N2O3+ 5 275.139 -0.04
+  277.1289 C13H17N4O3+ 4 277.1295 -2.1
+  278.1143 H24NO15+ 6 278.114 0.81
+  280.1655 C14H22N3O3+ 4 280.1656 -0.32
+  280.2016 C15H26N3O2+ 5 280.202 -1.44
+  281.1242 C12H17N4O4+ 3 281.1244 -0.92
+  283.1401 C12H19N4O4+ 5 283.1401 -0.04
+  295.1426 C16H17N5O+ 7 295.1428 -0.48
+  298.1764 H26N8O10+ 5 298.1766 -0.76
+  299.1755 C18H23N2O2+ 6 299.1754 0.46
+  300.1711 C3H24N8O8+ 8 300.1712 -0.1
+  306.1094 C15H12N7O+ 8 306.1098 -1.11
+  308.1971 C16H26N3O3+ 6 308.1969 0.71
+  309.1193 C12H11N11+ 7 309.1193 -0.29
+  313.1549 C18H21N2O3+ 6 313.1547 0.7
+  317.1864 C4H27N7O9+ 7 317.1865 -0.31
+  323.1374 C17H17N5O2+ 7 323.1377 -0.88
+  327.1702 C19H23N2O3+ 6 327.1703 -0.29
+  328.1662 C5H30NO14+ 8 328.1661 0.4
+  335.1721 C3H31N2O15+ 9 335.1719 0.65
+  337.2239 C4H37N2O14+ 8 337.2239 0.01
+  341.1491 C4H27N3O14+ 8 341.1488 0.93
+  344.1976 C6H34NO14+ 8 344.1974 0.49
+  358.1772 C20H20N7+ 8 358.1775 -0.83
+  359.1637 C9H29NO13+ 8 359.1633 0.92
+  362.2089 C6H36NO15+ 10 362.2079 2.51
+  365.2193 C19H25N8+ 10 365.2197 -0.98
+  377.2192 C6H37N2O15+ 10 377.2188 0.86
+  380.1594 C5H22N11O9+ 10 380.1596 -0.67
+  381.2133 C5H27N13O7+ 12 381.2151 -4.6
+  395.2295 C6H39N2O16+ 12 395.2294 0.27
+  445.2447 C8H39N5O15+ 12 445.2437 2.12
+  455.2286 C23H25N11+ 14 455.2289 -0.65
+  495.225 C27H27N8O2+ 14 495.2251 -0.28
+PK$NUM_PEAK: 129
+PK$PEAK: m/z int. rel.int.
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+  495.225 5748168 21
+//
diff --git a/Eawag/MSBNK-MLU-ED025906.txt b/Eawag/MSBNK-MLU-ED025906.txt
new file mode 100644
index 0000000000..a7e612b292
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED025906.txt
@@ -0,0 +1,377 @@
+ACCESSION: MSBNK-MLU-ED025906
+RECORD_TITLE: Tychonamide B; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], C. Mehner  [dtc], G. M. Koenig  [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 259
+CH$NAME: Tychonamide B
+CH$NAME: [1-[(3S,12R,19S,25R,28S,31E,34S,37R,40S)-12-(3-amino-3-oxopropyl)-37-[(2S)-butan-2-yl]-31-ethylidene-15-hydroxy-28-[(1R)-1-hydroxyethyl]-34-(hydroxymethyl)-2,8,11,14,18,24,27,30,33,36,39-undecaoxo-25-(2-phenylethyl)-1,7,10,13,17,23,26,29,32,35,38-undecazatetracyclo[38.3.0.03,7.019,23]tritetracontan-16-yl]-4-hydroxy-5-phenylpentan-2-yl] (2S)-2-[acetyl(methyl)amino]-4-methylpentanoate
+CH$NAME: 1-((6R,9S,15S,18R,20aS,25aS,34R,40aS,E)-34-(3-amino-3-oxopropyl)-18-((S)-sec-butyl)-12-ethylidene-37-hydroxy-9-((R)-1-hydroxyethyl)-15-(hydroxymethyl)-5,8,11,14,17,20,25,30,33,36,40-undecaoxo-6-phenethyloctatriacontahydro-1H,25H-tripyrrolo[1,2-b1:1`,2`-g:1``,2``-j][1,4,7,10,13,16,19,22,25,28,31]undecaazacyclotetratriacontin-38-yl)-4-hydroxy-5-phenylpentan-2-yl N-acetyl-N-methyl-L-leucinate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C72H105N13O19
+CH$EXACT_MASS: 1455.764968
+CH$SMILES: O=C([C@@H](CCC(N)=O)NC1=O)NCC(N2[C@@H](CCC2)C(N3[C@@H](CCC3)C(N[C@H]([C@@H](C)CC)C(N[C@@H](CO)C(N/C(C(N[C@@H]([C@@H](C)O)C(N[C@H](CCC4=CC=CC=C4)C(N5[C@@H](CCC5)C(NC(CC(OC([C@H](CC(C)C)N(C)C(C)=O)=O)CC(O)CC6=CC=CC=C6)C1O)=O)=O)=O)=O)=C/C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C72H105N13O19/c1-9-41(5)59-67(98)79-52(39-86)64(95)75-48(10-2)63(94)81-60(42(6)87)68(99)77-50(28-27-44-20-13-11-14-21-44)70(101)84-32-17-24-53(84)65(96)78-51(37-47(36-46(89)35-45-22-15-12-16-23-45)104-72(103)56(34-40(3)4)82(8)43(7)88)61(92)69(100)76-49(29-30-57(73)90)62(93)74-38-58(91)83-31-19-26-55(83)71(102)85-33-18-25-54(85)66(97)80-59/h10-16,20-23,40-42,46-47,49-56,59-61,86-87,89,92H,9,17-19,24-39H2,1-8H3,(H2,73,90)(H,74,93)(H,75,95)(H,76,100)(H,77,99)(H,78,96)(H,79,98)(H,80,97)(H,81,94)/b48-10+/t41-,42+,46?,47?,49+,50+,51?,52-,53-,54-,55-,56-,59+,60-,61?/m0/s1
+CH$LINK: PUBCHEM CID:155802199
+CH$LINK: INCHIKEY MTUBMTPWQGVXCG-UDDZTRNDSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 100-1505
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.727 min
+MS$FOCUSED_ION: BASE_PEAK 1456.7718
+MS$FOCUSED_ION: PRECURSOR_M/Z 1456.7722
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 1343738412.62
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-003u-0920000000-1ef91253a845e13584de
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  101.0709 C4H9N2O+ 1 101.0709 -0.58
+  103.0493 CH5N5O+ 1 103.0489 4.61
+  105.0335 C7H5O+ 1 105.0335 -0.12
+  105.07 C8H9+ 1 105.0699 1.47
+  106.0653 C7H8N+ 1 106.0651 1.95
+  107.0493 C7H7O+ 1 107.0491 1.38
+  109.076 C6H9N2+ 1 109.076 -0.54
+  110.06 C6H8NO+ 1 110.06 -0.71
+  111.0552 C5H7N2O+ 1 111.0553 -1.11
+  111.0918 C6H11N2+ 1 111.0917 1.09
+  112.0392 C5H6NO2+ 1 112.0393 -1.2
+  112.0757 C6H10NO+ 1 112.0757 0.03
+  113.071 C5H9N2O+ 1 113.0709 0.79
+  114.0914 C6H12NO+ 1 114.0913 0.41
+  115.0544 C9H7+ 1 115.0542 1.4
+  115.0866 C5H11N2O+ 1 115.0866 -0.25
+  116.0706 C5H10NO2+ 1 116.0706 -0.15
+  117.0698 C9H9+ 1 117.0699 -0.29
+  121.0648 C8H9O+ 1 121.0648 -0.26
+  122.0962 C8H12N+ 1 122.0964 -1.52
+  125.0709 C6H9N2O+ 1 125.0709 -0.23
+  126.055 C6H8NO2+ 1 126.055 0.02
+  126.0913 C7H12NO+ 1 126.0913 -0.41
+  127.0865 C6H11N2O+ 1 127.0866 -0.43
+  128.0619 C10H8+ 1 128.0621 -1.43
+  128.0707 C6H10NO2+ 1 128.0706 0.53
+  129.0703 C10H9+ 1 129.0699 3.25
+  130.0496 C5H8NO3+ 1 130.0499 -2
+  131.0856 C10H11+ 1 131.0855 0.51
+  134.0963 C9H12N+ 1 134.0964 -0.61
+  137.0707 C7H9N2O+ 1 137.0709 -1.45
+  137.107 C8H13N2+ 1 137.1073 -2.62
+  138.055 C7H8NO2+ 1 138.055 0.04
+  138.1276 C9H16N+ 1 138.1277 -0.86
+  139.0501 C6H7N2O2+ 1 139.0502 -0.49
+  139.0865 C7H11N2O+ 1 139.0866 -0.78
+  140.0705 C7H10NO2+ 1 140.0706 -0.73
+  140.0818 C6H10N3O+ 1 140.0818 -0.32
+  142.1226 C8H16NO+ 1 142.1226 -0.24
+  143.0856 C11H11+ 1 143.0855 0.2
+  145.0654 C10H9O+ 1 145.0648 4.17
+  146.0971 C10H12N+ 1 146.0964 4.32
+  146.1174 C7H16NO2+ 1 146.1176 -1.19
+  147.0809 C10H11O+ 1 147.0804 2.79
+  151.0505 C7H7N2O2+ 1 151.0502 2.23
+  151.0866 C8H11N2O+ 1 151.0866 0.06
+  151.1229 C9H15N2+ 1 151.123 -0.3
+  153.0657 C7H9N2O2+ 1 153.0659 -0.86
+  153.1022 C8H13N2O+ 1 153.1022 -0.11
+  155.0454 C6H7N2O3+ 1 155.0451 1.54
+  155.0814 C7H11N2O2+ 1 155.0815 -0.48
+  156.0654 C7H10NO3+ 1 156.0655 -0.89
+  159.0766 C6H11N2O3+ 1 159.0764 1.24
+  160.112 C11H14N+ 1 160.1121 -0.46
+  161.096 C11H13O+ 1 161.0961 -0.78
+  165.102 C9H13N2O+ 1 165.1022 -1.19
+  167.0851 C13H11+ 1 167.0855 -2.77
+  167.1176 C9H15N2O+ 1 167.1179 -1.94
+  167.1542 C10H19N2+ 1 167.1543 -0.35
+  168.0768 C7H10N3O2+ 1 168.0768 0.43
+  169.0607 C7H9N2O3+ 1 169.0608 -0.15
+  169.1009 C13H13+ 1 169.1012 -1.52
+  170.1175 C9H16NO2+ 1 170.1176 -0.47
+  171.0763 C7H11N2O3+ 1 171.0764 -0.47
+  172.1119 C12H14N+ 1 172.1121 -1.08
+  173.0943 C10H11N3+ 1 173.0947 -2.44
+  173.1279 C8H17N2O2+ 2 173.1285 -3.05
+  174.1274 C12H16N+ 1 174.1277 -2.11
+  177.1021 C10H13N2O+ 1 177.1022 -0.53
+  179.0447 C8H7N2O3+ 2 179.0451 -2.55
+  179.1176 C10H15N2O+ 1 179.1179 -1.37
+  181.0611 C8H9N2O3+ 1 181.0608 1.78
+  181.097 C9H13N2O2+ 1 181.0972 -0.71
+  183.0766 C8H11N2O3+ 1 183.0764 1.18
+  183.1491 C10H19N2O+ 1 183.1492 -0.75
+  184.0722 C7H10N3O3+ 2 184.0717 3.01
+  184.1116 C13H14N+ 1 184.1121 -2.39
+  185.0947 C11H11N3+ 1 185.0947 -0.2
+  186.0883 C9H14O4+ 1 186.0887 -1.69
+  186.1275 C13H16N+ 1 186.1277 -1.13
+  187.0712 C7H11N2O4+ 1 187.0713 -0.75
+  187.1111 C13H15O+ 2 187.1117 -3.62
+  190.1225 C12H16NO+ 1 190.1226 -0.56
+  191.0447 C9H7N2O3+ 1 191.0451 -1.97
+  191.0813 C10H11N2O2+ 1 191.0815 -0.82
+  191.1179 C11H15N2O+ 1 191.1179 0.25
+  193.0608 C9H9N2O3+ 1 193.0608 0.27
+  193.0973 C10H13N2O2+ 1 193.0972 0.62
+  193.1187 C7H17N2O4+ 2 193.1183 2.38
+  195.0803 C14H11O+ 2 195.0804 -0.8
+  195.1124 C8H13N5O+ 2 195.1115 4.6
+  195.149 C11H19N2O+ 1 195.1492 -1.07
+  196.0717 C8H10N3O3+ 1 196.0717 0.36
+  197.056 C8H9N2O4+ 1 197.0557 1.71
+  197.0946 C12H11N3+ 1 197.0947 -0.63
+  197.1282 C10H17N2O2+ 1 197.1285 -1.48
+  199.108 C9H15N2O3+ 1 199.1077 1.41
+  200.1059 C11H12N4+ 1 200.1056 1.14
+  201.123 C9H17N2O3+ 2 201.1234 -1.71
+  202.0831 C7H12N3O4+ 3 202.0822 4.17
+  202.1225 C13H16NO+ 1 202.1226 -0.91
+  207.113 C11H15N2O2+ 1 207.1128 0.78
+  208.0715 C9H10N3O3+ 1 208.0717 -0.86
+  209.0554 C9H9N2O4+ 2 209.0557 -1.56
+  209.0915 C10H13N2O3+ 2 209.0921 -2.91
+  209.1285 C11H17N2O2+ 1 209.1285 0.4
+  211.1438 C11H19N2O2+ 1 211.1441 -1.27
+  212.0663 C8H10N3O4+ 1 212.0666 -1.1
+  212.1067 H16N6O7+ 2 212.1075 -3.65
+  212.1378 C8H16N6O+ 1 212.138 -1.11
+  213.0902 C14H13O2+ 2 213.091 -3.59
+  214.0822 C8H12N3O4+ 1 214.0822 -0.31
+  217.1329 C13H17N2O+ 2 217.1335 -2.92
+  220.1079 C11H14N3O2+ 1 220.1081 -0.7
+  220.1328 C13H18NO2+ 2 220.1332 -1.76
+  221.0918 C11H13N2O3+ 2 221.0921 -1.36
+  223.1433 C10H17N5O+ 2 223.1428 2.29
+  224.1384 C9H16N6O+ 2 224.138 1.54
+  225.122 C9H15N5O2+ 1 225.122 -0.21
+  226.0823 C9H12N3O4+ 1 226.0822 0.18
+  226.1184 C10H16N3O3+ 2 226.1186 -1.14
+  227.0656 C8H5N9+ 3 227.0662 -2.87
+  230.1171 C14H16NO2+ 3 230.1176 -1.82
+  232.1081 C12H14N3O2+ 1 232.1081 0.19
+  233.0919 C12H13N2O3+ 1 233.0921 -0.57
+  234.088 C11H12N3O3+ 2 234.0873 3.03
+  235.1436 C13H19N2O2+ 3 235.1441 -2.02
+  238.1182 C11H16N3O3+ 2 238.1186 -1.69
+  240.101 H20N2O12+ 3 240.1011 -0.51
+  242.1495 C11H20N3O3+ 2 242.1499 -1.89
+  243.1489 C15H19N2O+ 5 243.1492 -1.17
+  244.0914 C7H12N6O4+ 1 244.0915 -0.15
+  247.1437 C14H19N2O2+ 4 247.1441 -1.59
+  248.1026 C12H14N3O3+ 2 248.103 -1.3
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+//
diff --git a/Eawag/MSBNK-MLU-ED025951.txt b/Eawag/MSBNK-MLU-ED025951.txt
new file mode 100644
index 0000000000..34c7c9ca5c
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED025951.txt
@@ -0,0 +1,67 @@
+ACCESSION: MSBNK-MLU-ED025951
+RECORD_TITLE: Tychonamide B; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], C. Mehner  [dtc], G. M. Koenig  [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 259
+CH$NAME: Tychonamide B
+CH$NAME: [1-[(3S,12R,19S,25R,28S,31E,34S,37R,40S)-12-(3-amino-3-oxopropyl)-37-[(2S)-butan-2-yl]-31-ethylidene-15-hydroxy-28-[(1R)-1-hydroxyethyl]-34-(hydroxymethyl)-2,8,11,14,18,24,27,30,33,36,39-undecaoxo-25-(2-phenylethyl)-1,7,10,13,17,23,26,29,32,35,38-undecazatetracyclo[38.3.0.03,7.019,23]tritetracontan-16-yl]-4-hydroxy-5-phenylpentan-2-yl] (2S)-2-[acetyl(methyl)amino]-4-methylpentanoate
+CH$NAME: 1-((6R,9S,15S,18R,20aS,25aS,34R,40aS,E)-34-(3-amino-3-oxopropyl)-18-((S)-sec-butyl)-12-ethylidene-37-hydroxy-9-((R)-1-hydroxyethyl)-15-(hydroxymethyl)-5,8,11,14,17,20,25,30,33,36,40-undecaoxo-6-phenethyloctatriacontahydro-1H,25H-tripyrrolo[1,2-b1:1`,2`-g:1``,2``-j][1,4,7,10,13,16,19,22,25,28,31]undecaazacyclotetratriacontin-38-yl)-4-hydroxy-5-phenylpentan-2-yl N-acetyl-N-methyl-L-leucinate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C72H105N13O19
+CH$EXACT_MASS: 1455.764968
+CH$SMILES: O=C([C@@H](CCC(N)=O)NC1=O)NCC(N2[C@@H](CCC2)C(N3[C@@H](CCC3)C(N[C@H]([C@@H](C)CC)C(N[C@@H](CO)C(N/C(C(N[C@@H]([C@@H](C)O)C(N[C@H](CCC4=CC=CC=C4)C(N5[C@@H](CCC5)C(NC(CC(OC([C@H](CC(C)C)N(C)C(C)=O)=O)CC(O)CC6=CC=CC=C6)C1O)=O)=O)=O)=O)=C/C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C72H105N13O19/c1-9-41(5)59-67(98)79-52(39-86)64(95)75-48(10-2)63(94)81-60(42(6)87)68(99)77-50(28-27-44-20-13-11-14-21-44)70(101)84-32-17-24-53(84)65(96)78-51(37-47(36-46(89)35-45-22-15-12-16-23-45)104-72(103)56(34-40(3)4)82(8)43(7)88)61(92)69(100)76-49(29-30-57(73)90)62(93)74-38-58(91)83-31-19-26-55(83)71(102)85-33-18-25-54(85)66(97)80-59/h10-16,20-23,40-42,46-47,49-56,59-61,86-87,89,92H,9,17-19,24-39H2,1-8H3,(H2,73,90)(H,74,93)(H,75,95)(H,76,100)(H,77,99)(H,78,96)(H,79,98)(H,80,97)(H,81,94)/b48-10+/t41-,42+,46?,47?,49+,50+,51?,52-,53-,54-,55-,56-,59+,60-,61?/m0/s1
+CH$LINK: PUBCHEM CID:155802199
+CH$LINK: INCHIKEY MTUBMTPWQGVXCG-UDDZTRNDSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 100-1500
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.748 min
+MS$FOCUSED_ION: BASE_PEAK 1454.7573
+MS$FOCUSED_ION: PRECURSOR_M/Z 1454.7577
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 701039342
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03di-0155900000-2e5dcb5155a1c5f4012c
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  1193.6001 C61H87N5O19- 19 1193.6001 0.03
+  1205.5994 C61H81N12O14- 16 1205.6001 -0.55
+  1223.6093 C60H87N8O19- 16 1223.6093 0.04
+  1224.6075 C62H84N10O16- 14 1224.6072 0.24
+  1249.6275 C65H87N9O16- 13 1249.6276 -0.11
+  1362.7109 C69H96N13O16- 3 1362.7103 0.41
+  1363.7097 C72H99N8O18- 4 1363.7083 1.03
+  1380.721 C69H98N13O17- 2 1380.7209 0.05
+  1392.7209 C70H98N13O17- 2 1392.7209 0
+  1393.717 C71H99N11O18- 1 1393.7175 -0.36
+  1410.731 C70H100N13O18- 2 1410.7315 -0.34
+  1411.725 C71H101N11O19- 1 1411.7281 -2.16
+PK$NUM_PEAK: 12
+PK$PEAK: m/z int. rel.int.
+  1193.6001 120636656 253
+  1205.5994 35286680 74
+  1223.6093 234725296 493
+  1224.6075 35808632 75
+  1249.6275 6409196 13
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+  1363.7097 6117412 12
+  1380.721 175920656 370
+  1392.7209 87946312 185
+  1393.717 15050377 31
+  1410.731 474784480 999
+  1411.725 79986680 168
+//
diff --git a/Eawag/MSBNK-MLU-ED025952.txt b/Eawag/MSBNK-MLU-ED025952.txt
new file mode 100644
index 0000000000..33d814fbe7
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED025952.txt
@@ -0,0 +1,73 @@
+ACCESSION: MSBNK-MLU-ED025952
+RECORD_TITLE: Tychonamide B; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], C. Mehner  [dtc], G. M. Koenig  [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 259
+CH$NAME: Tychonamide B
+CH$NAME: [1-[(3S,12R,19S,25R,28S,31E,34S,37R,40S)-12-(3-amino-3-oxopropyl)-37-[(2S)-butan-2-yl]-31-ethylidene-15-hydroxy-28-[(1R)-1-hydroxyethyl]-34-(hydroxymethyl)-2,8,11,14,18,24,27,30,33,36,39-undecaoxo-25-(2-phenylethyl)-1,7,10,13,17,23,26,29,32,35,38-undecazatetracyclo[38.3.0.03,7.019,23]tritetracontan-16-yl]-4-hydroxy-5-phenylpentan-2-yl] (2S)-2-[acetyl(methyl)amino]-4-methylpentanoate
+CH$NAME: 1-((6R,9S,15S,18R,20aS,25aS,34R,40aS,E)-34-(3-amino-3-oxopropyl)-18-((S)-sec-butyl)-12-ethylidene-37-hydroxy-9-((R)-1-hydroxyethyl)-15-(hydroxymethyl)-5,8,11,14,17,20,25,30,33,36,40-undecaoxo-6-phenethyloctatriacontahydro-1H,25H-tripyrrolo[1,2-b1:1`,2`-g:1``,2``-j][1,4,7,10,13,16,19,22,25,28,31]undecaazacyclotetratriacontin-38-yl)-4-hydroxy-5-phenylpentan-2-yl N-acetyl-N-methyl-L-leucinate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C72H105N13O19
+CH$EXACT_MASS: 1455.764968
+CH$SMILES: O=C([C@@H](CCC(N)=O)NC1=O)NCC(N2[C@@H](CCC2)C(N3[C@@H](CCC3)C(N[C@H]([C@@H](C)CC)C(N[C@@H](CO)C(N/C(C(N[C@@H]([C@@H](C)O)C(N[C@H](CCC4=CC=CC=C4)C(N5[C@@H](CCC5)C(NC(CC(OC([C@H](CC(C)C)N(C)C(C)=O)=O)CC(O)CC6=CC=CC=C6)C1O)=O)=O)=O)=O)=C/C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C72H105N13O19/c1-9-41(5)59-67(98)79-52(39-86)64(95)75-48(10-2)63(94)81-60(42(6)87)68(99)77-50(28-27-44-20-13-11-14-21-44)70(101)84-32-17-24-53(84)65(96)78-51(37-47(36-46(89)35-45-22-15-12-16-23-45)104-72(103)56(34-40(3)4)82(8)43(7)88)61(92)69(100)76-49(29-30-57(73)90)62(93)74-38-58(91)83-31-19-26-55(83)71(102)85-33-18-25-54(85)66(97)80-59/h10-16,20-23,40-42,46-47,49-56,59-61,86-87,89,92H,9,17-19,24-39H2,1-8H3,(H2,73,90)(H,74,93)(H,75,95)(H,76,100)(H,77,99)(H,78,96)(H,79,98)(H,80,97)(H,81,94)/b48-10+/t41-,42+,46?,47?,49+,50+,51?,52-,53-,54-,55-,56-,59+,60-,61?/m0/s1
+CH$LINK: PUBCHEM CID:155802199
+CH$LINK: INCHIKEY MTUBMTPWQGVXCG-UDDZTRNDSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 100-1500
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.748 min
+MS$FOCUSED_ION: BASE_PEAK 1454.7573
+MS$FOCUSED_ION: PRECURSOR_M/Z 1454.7577
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 701039342
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00b9-0953100000-88ae1323c14acdc34a5d
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  186.112 C7H14N4O2- 1 186.1122 -1.38
+  738.3825 C51H50N2O3- 21 738.3827 -0.19
+  1122.5672 C63H82N2O16- 23 1122.567 0.19
+  1175.5899 C61H85N5O18- 19 1175.5895 0.35
+  1194.6014 C52H84N13O19- 16 1194.6012 0.22
+  1206.6 C70H80N9O10- 16 1206.6034 -2.77
+  1223.6095 C60H87N8O19- 16 1223.6093 0.14
+  1224.6075 C62H84N10O16- 14 1224.6072 0.24
+  1249.6279 C65H87N9O16- 13 1249.6276 0.19
+  1362.7103 C69H96N13O16- 3 1362.7103 -0.04
+  1363.7081 C72H99N8O18- 3 1363.7083 -0.14
+  1392.7209 C70H98N13O17- 2 1392.7209 0
+  1393.7207 C71H99N11O18- 1 1393.7175 2.27
+  1410.7321 C70H100N13O18- 2 1410.7315 0.43
+  1411.7256 C71H101N11O19- 1 1411.7281 -1.73
+PK$NUM_PEAK: 15
+PK$PEAK: m/z int. rel.int.
+  186.112 15642500 63
+  738.3825 10097898 41
+  1122.5672 7694512 31
+  1175.5899 245948352 999
+  1194.6014 52634828 213
+  1206.6 14339692 58
+  1223.6095 144235584 585
+  1224.6075 19660894 79
+  1249.6279 4939013 20
+  1362.7103 56397172 229
+  1363.7081 9572067 38
+  1392.7209 52395080 212
+  1393.7207 8585823 34
+  1410.7321 42616848 173
+  1411.7256 6395101 25
+//
diff --git a/Eawag/MSBNK-MLU-ED025953.txt b/Eawag/MSBNK-MLU-ED025953.txt
new file mode 100644
index 0000000000..7c1e1396ab
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED025953.txt
@@ -0,0 +1,93 @@
+ACCESSION: MSBNK-MLU-ED025953
+RECORD_TITLE: Tychonamide B; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], C. Mehner  [dtc], G. M. Koenig  [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 259
+CH$NAME: Tychonamide B
+CH$NAME: [1-[(3S,12R,19S,25R,28S,31E,34S,37R,40S)-12-(3-amino-3-oxopropyl)-37-[(2S)-butan-2-yl]-31-ethylidene-15-hydroxy-28-[(1R)-1-hydroxyethyl]-34-(hydroxymethyl)-2,8,11,14,18,24,27,30,33,36,39-undecaoxo-25-(2-phenylethyl)-1,7,10,13,17,23,26,29,32,35,38-undecazatetracyclo[38.3.0.03,7.019,23]tritetracontan-16-yl]-4-hydroxy-5-phenylpentan-2-yl] (2S)-2-[acetyl(methyl)amino]-4-methylpentanoate
+CH$NAME: 1-((6R,9S,15S,18R,20aS,25aS,34R,40aS,E)-34-(3-amino-3-oxopropyl)-18-((S)-sec-butyl)-12-ethylidene-37-hydroxy-9-((R)-1-hydroxyethyl)-15-(hydroxymethyl)-5,8,11,14,17,20,25,30,33,36,40-undecaoxo-6-phenethyloctatriacontahydro-1H,25H-tripyrrolo[1,2-b1:1`,2`-g:1``,2``-j][1,4,7,10,13,16,19,22,25,28,31]undecaazacyclotetratriacontin-38-yl)-4-hydroxy-5-phenylpentan-2-yl N-acetyl-N-methyl-L-leucinate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C72H105N13O19
+CH$EXACT_MASS: 1455.764968
+CH$SMILES: O=C([C@@H](CCC(N)=O)NC1=O)NCC(N2[C@@H](CCC2)C(N3[C@@H](CCC3)C(N[C@H]([C@@H](C)CC)C(N[C@@H](CO)C(N/C(C(N[C@@H]([C@@H](C)O)C(N[C@H](CCC4=CC=CC=C4)C(N5[C@@H](CCC5)C(NC(CC(OC([C@H](CC(C)C)N(C)C(C)=O)=O)CC(O)CC6=CC=CC=C6)C1O)=O)=O)=O)=O)=C/C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C72H105N13O19/c1-9-41(5)59-67(98)79-52(39-86)64(95)75-48(10-2)63(94)81-60(42(6)87)68(99)77-50(28-27-44-20-13-11-14-21-44)70(101)84-32-17-24-53(84)65(96)78-51(37-47(36-46(89)35-45-22-15-12-16-23-45)104-72(103)56(34-40(3)4)82(8)43(7)88)61(92)69(100)76-49(29-30-57(73)90)62(93)74-38-58(91)83-31-19-26-55(83)71(102)85-33-18-25-54(85)66(97)80-59/h10-16,20-23,40-42,46-47,49-56,59-61,86-87,89,92H,9,17-19,24-39H2,1-8H3,(H2,73,90)(H,74,93)(H,75,95)(H,76,100)(H,77,99)(H,78,96)(H,79,98)(H,80,97)(H,81,94)/b48-10+/t41-,42+,46?,47?,49+,50+,51?,52-,53-,54-,55-,56-,59+,60-,61?/m0/s1
+CH$LINK: PUBCHEM CID:155802199
+CH$LINK: INCHIKEY MTUBMTPWQGVXCG-UDDZTRNDSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 100-1500
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.748 min
+MS$FOCUSED_ION: BASE_PEAK 1454.7573
+MS$FOCUSED_ION: PRECURSOR_M/Z 1454.7577
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 701039342
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-004l-0910000000-74a7274b27e9f27eb485
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  128.0341 C3H4N4O2- 1 128.034 1.09
+  130.627 H82O3- 1 130.6269 0.23
+  139.0499 C4H5N5O- 1 139.05 -0.12
+  144.1016 C5H12N4O- 1 144.1017 -0.16
+  178.0604 C6H6N6O- 1 178.0609 -2.43
+  186.112 C7H14N4O2- 1 186.1122 -1.14
+  206.0555 C7H6N6O2- 1 206.0558 -1.34
+  226.1543 C9H18N6O- 3 226.1548 -1.89
+  264.0975 C10H12N6O3- 3 264.0976 -0.65
+  414.214 C6H34N6O14- 13 414.2138 0.42
+  426.2143 C22H28N5O4- 11 426.2147 -0.88
+  442.2087 C6H28N13O10- 12 442.2088 -0.09
+  491.2613 C8H41N7O16- 14 491.2615 -0.37
+  511.2185 C25H35O11- 13 511.2185 0.1
+  625.2982 C16H47N7O18- 20 625.2983 -0.23
+  738.3827 C51H50N2O3- 21 738.3827 -0.03
+  1122.5674 C63H82N2O16- 23 1122.567 0.41
+  1149.6082 C71H77N10O5- 21 1149.6084 -0.2
+  1175.5897 C61H85N5O18- 19 1175.5895 0.14
+  1176.5899 C66H80N8O12- 19 1176.5901 -0.16
+  1193.6001 C61H87N5O19- 19 1193.6001 0.03
+  1194.6016 C52H84N13O19- 16 1194.6012 0.32
+  1205.5995 C61H81N12O14- 17 1205.6001 -0.45
+  1206.6001 C70H80N9O10- 16 1206.6034 -2.67
+  1223.6096 C60H87N8O19- 14 1223.6093 0.24
+PK$NUM_PEAK: 25
+PK$PEAK: m/z int. rel.int.
+  128.0341 3396816.5 11
+  130.627 18203588 59
+  139.0499 3385673 11
+  144.1016 23954740 78
+  178.0604 3664944.8 12
+  186.112 47593356 156
+  206.0555 7299547.5 24
+  226.1543 8723145 28
+  264.0975 4386388.5 14
+  414.214 4384758 14
+  426.2143 4534757 14
+  442.2087 5892948 19
+  491.2613 6804217.5 22
+  511.2185 27224934 89
+  625.2982 8679509 28
+  738.3827 44277892 145
+  1122.5674 4593518.5 15
+  1149.6082 6886734 22
+  1175.5897 303262208 999
+  1176.5899 41869460 137
+  1193.6001 236313424 778
+  1194.6016 29478362 97
+  1205.5995 56370808 185
+  1206.6001 7669970 25
+  1223.6096 31785382 104
+//
diff --git a/Eawag/MSBNK-MLU-ED025954.txt b/Eawag/MSBNK-MLU-ED025954.txt
new file mode 100644
index 0000000000..9496e4c907
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED025954.txt
@@ -0,0 +1,203 @@
+ACCESSION: MSBNK-MLU-ED025954
+RECORD_TITLE: Tychonamide B; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], C. Mehner  [dtc], G. M. Koenig  [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 259
+CH$NAME: Tychonamide B
+CH$NAME: [1-[(3S,12R,19S,25R,28S,31E,34S,37R,40S)-12-(3-amino-3-oxopropyl)-37-[(2S)-butan-2-yl]-31-ethylidene-15-hydroxy-28-[(1R)-1-hydroxyethyl]-34-(hydroxymethyl)-2,8,11,14,18,24,27,30,33,36,39-undecaoxo-25-(2-phenylethyl)-1,7,10,13,17,23,26,29,32,35,38-undecazatetracyclo[38.3.0.03,7.019,23]tritetracontan-16-yl]-4-hydroxy-5-phenylpentan-2-yl] (2S)-2-[acetyl(methyl)amino]-4-methylpentanoate
+CH$NAME: 1-((6R,9S,15S,18R,20aS,25aS,34R,40aS,E)-34-(3-amino-3-oxopropyl)-18-((S)-sec-butyl)-12-ethylidene-37-hydroxy-9-((R)-1-hydroxyethyl)-15-(hydroxymethyl)-5,8,11,14,17,20,25,30,33,36,40-undecaoxo-6-phenethyloctatriacontahydro-1H,25H-tripyrrolo[1,2-b1:1`,2`-g:1``,2``-j][1,4,7,10,13,16,19,22,25,28,31]undecaazacyclotetratriacontin-38-yl)-4-hydroxy-5-phenylpentan-2-yl N-acetyl-N-methyl-L-leucinate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C72H105N13O19
+CH$EXACT_MASS: 1455.764968
+CH$SMILES: O=C([C@@H](CCC(N)=O)NC1=O)NCC(N2[C@@H](CCC2)C(N3[C@@H](CCC3)C(N[C@H]([C@@H](C)CC)C(N[C@@H](CO)C(N/C(C(N[C@@H]([C@@H](C)O)C(N[C@H](CCC4=CC=CC=C4)C(N5[C@@H](CCC5)C(NC(CC(OC([C@H](CC(C)C)N(C)C(C)=O)=O)CC(O)CC6=CC=CC=C6)C1O)=O)=O)=O)=O)=C/C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C72H105N13O19/c1-9-41(5)59-67(98)79-52(39-86)64(95)75-48(10-2)63(94)81-60(42(6)87)68(99)77-50(28-27-44-20-13-11-14-21-44)70(101)84-32-17-24-53(84)65(96)78-51(37-47(36-46(89)35-45-22-15-12-16-23-45)104-72(103)56(34-40(3)4)82(8)43(7)88)61(92)69(100)76-49(29-30-57(73)90)62(93)74-38-58(91)83-31-19-26-55(83)71(102)85-33-18-25-54(85)66(97)80-59/h10-16,20-23,40-42,46-47,49-56,59-61,86-87,89,92H,9,17-19,24-39H2,1-8H3,(H2,73,90)(H,74,93)(H,75,95)(H,76,100)(H,77,99)(H,78,96)(H,79,98)(H,80,97)(H,81,94)/b48-10+/t41-,42+,46?,47?,49+,50+,51?,52-,53-,54-,55-,56-,59+,60-,61?/m0/s1
+CH$LINK: PUBCHEM CID:155802199
+CH$LINK: INCHIKEY MTUBMTPWQGVXCG-UDDZTRNDSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 100-1500
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.748 min
+MS$FOCUSED_ION: BASE_PEAK 1454.7573
+MS$FOCUSED_ION: PRECURSOR_M/Z 1454.7577
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 701039342
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-004l-0920110000-f1d9727316114950f861
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  109.0393 C3H3N5- 1 109.0394 -0.88
+  111.0549 C3H5N5- 1 111.055 -1.04
+  113.0705 C3H7N5- 1 113.0707 -1.84
+  114.0545 C3H6N4O- 1 114.0547 -1.56
+  121.0393 C4H3N5- 1 121.0394 -0.9
+  123.055 C4H5N5- 1 123.055 -0.24
+  124.039 C4H4N4O- 1 124.0391 -0.24
+  125.0342 C3H3N5O- 1 125.0343 -0.68
+  126.0184 C3H2N4O2- 1 126.0183 0.29
+  127.0499 C3H5N5O- 1 127.05 -0.18
+  128.0339 C3H4N4O2- 1 128.034 -0.58
+  130.6271 H82O3- 1 130.6269 1.4
+  139.05 C4H5N5O- 1 139.05 0.21
+  140.0342 C4H4N4O2- 1 140.034 1.62
+  142.1225 C6H14N4- 1 142.1224 0.52
+  144.1017 C5H12N4O- 1 144.1017 0.06
+  149.0706 C6H7N5- 1 149.0707 -0.59
+  150.0547 C6H6N4O- 1 150.0547 0.1
+  151.0498 C5H5N5O- 1 151.05 -1.26
+  152.0818 C5H8N6- 1 152.0816 1.05
+  153.0655 C5H7N5O- 1 153.0656 -0.58
+  155.0448 C4H5N5O2- 1 155.0449 -0.64
+  155.081 C5H9N5O- 1 155.0813 -1.38
+  156.0763 C4H8N6O- 1 156.0765 -1.22
+  163.0497 C6H5N5O- 1 163.05 -1.65
+  165.0657 C6H7N5O- 1 165.0656 0.3
+  167.0447 C5H5N5O2- 1 167.0449 -0.93
+  168.0768 C5H8N6O- 1 168.0765 1.71
+  170.0918 C5H10N6O- 1 170.0922 -1.91
+  176.0453 C6H4N6O- 1 176.0452 0.78
+  178.0607 C6H6N6O- 1 178.0609 -0.97
+  179.0448 C6H5N5O2- 1 179.0449 -0.48
+  180.0763 C6H8N6O- 1 180.0765 -1.24
+  181.1333 C8H15N5- 1 181.1333 -0.18
+  184.0715 C5H8N6O2- 1 184.0714 0.25
+  185.0553 C5H7N5O3- 1 185.0554 -0.93
+  186.1121 C7H14N4O2- 1 186.1122 -0.73
+  191.0449 C7H5N5O2- 1 191.0449 0.35
+  192.0763 C7H8N6O- 1 192.0765 -0.94
+  193.0601 C7H7N5O2- 3 193.0605 -2.39
+  196.0711 C6H8N6O2- 1 196.0714 -1.59
+  200.0702 C10H8N4O- 1 200.0704 -0.98
+  203.0812 C9H9N5O- 1 203.0813 -0.24
+  204.0766 C8H8N6O- 1 204.0765 0.61
+  206.0556 C7H6N6O2- 1 206.0558 -0.89
+  209.1282 C9H15N5O- 1 209.1282 -0.12
+  210.0869 C7H10N6O2- 1 210.0871 -0.63
+  215.081 C10H9N5O- 3 215.0813 -1.29
+  217.0966 C10H11N5O- 3 217.0969 -1.27
+  226.1545 C9H18N6O- 3 226.1548 -1.22
+  232.1075 C10H12N6O- 3 232.1078 -1.44
+  236.1021 C9H12N6O2- 3 236.1027 -2.67
+  250.1181 C10H14N6O2- 3 250.1184 -1.12
+  252.1341 C10H16N6O2- 1 252.134 0.17
+  257.1278 C13H15N5O- 4 257.1282 -1.44
+  260.1033 C11H12N6O2- 3 260.1027 2.24
+  263.1135 C10H13N7O2- 4 263.1136 -0.47
+  264.0974 C10H12N6O3- 3 264.0976 -0.88
+  268.1661 C13H22N3O3- 3 268.1667 -2.04
+  274.1543 C13H18N6O- 4 274.1548 -1.65
+  283.1759 C11H21N7O2- 4 283.1762 -1.01
+  291.1086 C12H19O8- 5 291.1085 0.29
+  296.1387 C15H16N6O- 7 296.1391 -1.29
+  300.1341 C14H16N6O2- 7 300.134 0.3
+  309.1202 C12H11N11- 5 309.1204 -0.93
+  323.2078 C15H31O7- 10 323.2075 0.76
+  329.1601 CH31NO17- 8 329.1597 0.92
+  414.2142 C6H34N6O14- 11 414.2138 0.86
+  426.2141 C22H28N5O4- 13 426.2147 -1.31
+  442.2085 C6H28N13O10- 12 442.2088 -0.5
+  491.2616 C8H41N7O16- 14 491.2615 0.07
+  511.2187 C25H35O11- 15 511.2185 0.39
+  512.2225 C2H34N13O17- 16 512.2201 4.6
+  528.2453 C10H34N13O12- 16 528.2455 -0.41
+  1149.608 C71H77N10O5- 21 1149.6084 -0.3
+  1175.5899 C61H85N5O18- 19 1175.5895 0.35
+  1176.5896 C66H80N8O12- 18 1176.5901 -0.48
+  1193.6006 C61H87N5O19- 17 1193.6001 0.43
+  1194.6014 C52H84N13O19- 16 1194.6012 0.22
+  1205.6 C61H81N12O14- 18 1205.6001 -0.04
+PK$NUM_PEAK: 80
+PK$PEAK: m/z int. rel.int.
+  109.0393 1051865.2 13
+  111.0549 4188871 54
+  113.0705 3269829.5 42
+  114.0545 870867.5 11
+  121.0393 3288214.5 42
+  123.055 2931190 37
+  124.039 1407783 18
+  125.0342 2599721 33
+  126.0184 7878242.5 101
+  127.0499 13023923 168
+  128.0339 7112157.5 91
+  130.6271 4353937 56
+  139.05 13075891 168
+  140.0342 883894.4 11
+  142.1225 4975916 64
+  144.1017 52994468 684
+  149.0706 1144230.6 14
+  150.0547 1141072.9 14
+  151.0498 3661298.8 47
+  152.0818 803603.2 10
+  153.0655 15128130 195
+  155.0448 2989051.2 38
+  155.081 1682402.6 21
+  156.0763 4416869.5 57
+  163.0497 3475077.8 44
+  165.0657 1775060.8 22
+  167.0447 6542645 84
+  168.0768 1460782.5 18
+  170.0918 1179207.2 15
+  176.0453 1514489.2 19
+  178.0607 11246840 145
+  179.0448 3560861 45
+  180.0763 2673245.5 34
+  181.1333 792963.8 10
+  184.0715 1922568.2 24
+  185.0553 1198491 15
+  186.1121 56265112 726
+  191.0449 1064290.5 13
+  192.0763 3665602 47
+  193.0601 2218688 28
+  196.0711 2163927.5 27
+  200.0702 3402401.5 43
+  203.0812 953373.5 12
+  204.0766 847486.6 10
+  206.0556 7025536.5 90
+  209.1282 2341199.5 30
+  210.0869 1419816.1 18
+  215.081 1320780.1 17
+  217.0966 2635964.2 34
+  226.1545 44156604 570
+  232.1075 875201.2 11
+  236.1021 1115098.1 14
+  250.1181 1416816.1 18
+  252.1341 2254296.8 29
+  257.1278 5543998.5 71
+  260.1033 1035880.1 13
+  263.1135 901068.4 11
+  264.0974 9672049 124
+  268.1661 3812908 49
+  274.1543 1774510 22
+  283.1759 6366377 82
+  291.1086 4295139 55
+  296.1387 4419855 57
+  300.1341 2528785 32
+  309.1202 6218210 80
+  323.2078 4125935.5 53
+  329.1601 1800157.9 23
+  414.2142 10696269 138
+  426.2141 19465740 251
+  442.2085 16422935 212
+  491.2616 5909263 76
+  511.2187 68135576 880
+  512.2225 3076882.2 39
+  528.2453 17354954 224
+  1149.608 4178053.2 53
+  1175.5899 77334432 999
+  1176.5896 11260998 145
+  1193.6006 71092568 918
+  1194.6014 9432144 121
+  1205.6 13541393 174
+//
diff --git a/Eawag/MSBNK-MLU-ED025955.txt b/Eawag/MSBNK-MLU-ED025955.txt
new file mode 100644
index 0000000000..cc3c0064b4
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED025955.txt
@@ -0,0 +1,291 @@
+ACCESSION: MSBNK-MLU-ED025955
+RECORD_TITLE: Tychonamide B; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], C. Mehner  [dtc], G. M. Koenig  [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 259
+CH$NAME: Tychonamide B
+CH$NAME: [1-[(3S,12R,19S,25R,28S,31E,34S,37R,40S)-12-(3-amino-3-oxopropyl)-37-[(2S)-butan-2-yl]-31-ethylidene-15-hydroxy-28-[(1R)-1-hydroxyethyl]-34-(hydroxymethyl)-2,8,11,14,18,24,27,30,33,36,39-undecaoxo-25-(2-phenylethyl)-1,7,10,13,17,23,26,29,32,35,38-undecazatetracyclo[38.3.0.03,7.019,23]tritetracontan-16-yl]-4-hydroxy-5-phenylpentan-2-yl] (2S)-2-[acetyl(methyl)amino]-4-methylpentanoate
+CH$NAME: 1-((6R,9S,15S,18R,20aS,25aS,34R,40aS,E)-34-(3-amino-3-oxopropyl)-18-((S)-sec-butyl)-12-ethylidene-37-hydroxy-9-((R)-1-hydroxyethyl)-15-(hydroxymethyl)-5,8,11,14,17,20,25,30,33,36,40-undecaoxo-6-phenethyloctatriacontahydro-1H,25H-tripyrrolo[1,2-b1:1`,2`-g:1``,2``-j][1,4,7,10,13,16,19,22,25,28,31]undecaazacyclotetratriacontin-38-yl)-4-hydroxy-5-phenylpentan-2-yl N-acetyl-N-methyl-L-leucinate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C72H105N13O19
+CH$EXACT_MASS: 1455.764968
+CH$SMILES: O=C([C@@H](CCC(N)=O)NC1=O)NCC(N2[C@@H](CCC2)C(N3[C@@H](CCC3)C(N[C@H]([C@@H](C)CC)C(N[C@@H](CO)C(N/C(C(N[C@@H]([C@@H](C)O)C(N[C@H](CCC4=CC=CC=C4)C(N5[C@@H](CCC5)C(NC(CC(OC([C@H](CC(C)C)N(C)C(C)=O)=O)CC(O)CC6=CC=CC=C6)C1O)=O)=O)=O)=O)=C/C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C72H105N13O19/c1-9-41(5)59-67(98)79-52(39-86)64(95)75-48(10-2)63(94)81-60(42(6)87)68(99)77-50(28-27-44-20-13-11-14-21-44)70(101)84-32-17-24-53(84)65(96)78-51(37-47(36-46(89)35-45-22-15-12-16-23-45)104-72(103)56(34-40(3)4)82(8)43(7)88)61(92)69(100)76-49(29-30-57(73)90)62(93)74-38-58(91)83-31-19-26-55(83)71(102)85-33-18-25-54(85)66(97)80-59/h10-16,20-23,40-42,46-47,49-56,59-61,86-87,89,92H,9,17-19,24-39H2,1-8H3,(H2,73,90)(H,74,93)(H,75,95)(H,76,100)(H,77,99)(H,78,96)(H,79,98)(H,80,97)(H,81,94)/b48-10+/t41-,42+,46?,47?,49+,50+,51?,52-,53-,54-,55-,56-,59+,60-,61?/m0/s1
+CH$LINK: PUBCHEM CID:155802199
+CH$LINK: INCHIKEY MTUBMTPWQGVXCG-UDDZTRNDSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 100-1500
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.748 min
+MS$FOCUSED_ION: BASE_PEAK 1454.7573
+MS$FOCUSED_ION: PRECURSOR_M/Z 1454.7577
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 701039342
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0fbc-0930000000-20a5833be592767e2af8
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
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+  108.044 C4H4N4- 1 108.0441 -1.08
+  109.0283 C4H3N3O- 1 109.0282 1.53
+  109.0394 C3H3N5- 1 109.0394 -0.11
+  110.0235 C3H2N4O- 1 110.0234 0.83
+  110.0597 C4H6N4- 1 110.0598 -1.05
+  111.0188 C2HN5O- 1 111.0187 1.51
+  111.044 C4H5N3O- 1 111.0438 1.53
+  111.055 C3H5N5- 1 111.055 -0.63
+  112.039 C3H4N4O- 1 112.0391 -0.79
+  113.0344 C2H3N5O- 1 113.0343 0.53
+  113.0706 C3H7N5- 1 113.0707 -0.7
+  114.0547 C3H6N4O- 1 114.0547 -0.49
+  119.0486 C6H5N3- 1 119.0489 -2.21
+  121.0394 C4H3N5- 1 121.0394 -0.15
+  122.0596 C5H6N4- 1 122.0598 -1.84
+  123.055 C4H5N5- 1 123.055 -0.36
+  124.039 C4H4N4O- 1 124.0391 -0.17
+  125.0343 C3H3N5O- 1 125.0343 -0.07
+  126.0183 C3H2N4O2- 1 126.0183 0.11
+  126.0546 C4H6N4O- 1 126.0547 -0.69
+  127.0499 C3H5N5O- 1 127.05 -0.12
+  128.034 C3H4N4O2- 1 128.034 0.14
+  129.1019 C4H11N5- 1 129.102 -0.49
+  135.0549 C5H5N5- 1 135.055 -0.79
+  136.0392 C5H4N4O- 1 136.0391 0.68
+  137.0341 C4H3N5O- 1 137.0343 -1.47
+  137.0706 C5H7N5- 1 137.0707 -0.53
+  138.0549 C5H6N4O- 1 138.0547 1.68
+  138.066 C4H6N6- 1 138.0659 0.66
+  139.05 C4H5N5O- 1 139.05 0.21
+  139.086 C5H9N5- 1 139.0863 -2.37
+  140.0346 C4H4N4O2- 1 140.034 4.57
+  141.0655 C4H7N5O- 1 141.0656 -1.07
+  142.1225 C6H14N4- 1 142.1224 0.52
+  144.1017 C5H12N4O- 1 144.1017 -0.05
+  147.0547 C6H5N5- 1 147.055 -2.34
+  149.0707 C6H7N5- 1 149.0707 -0.19
+  150.0546 C6H6N4O- 1 150.0547 -0.41
+  151.05 C5H5N5O- 1 151.05 0.05
+  152.0816 C5H8N6- 1 152.0816 0.35
+  153.0656 C5H7N5O- 1 153.0656 -0.38
+  155.0447 C4H5N5O2- 1 155.0449 -0.83
+  155.0812 C5H9N5O- 1 155.0813 -0.69
+  156.0763 C4H8N6O- 1 156.0765 -1.32
+  163.0498 C6H5N5O- 1 163.05 -0.81
+  164.0818 C6H8N6- 1 164.0816 1.06
+  165.029 C5H3N5O2- 1 165.0292 -1.12
+  165.0654 C6H7N5O- 1 165.0656 -0.99
+  165.1015 C7H11N5- 1 165.102 -2.71
+  166.049 C6H6N4O2- 3 166.0496 -3.85
+  166.0611 C5H6N6O- 1 166.0609 1.28
+  167.0447 C5H5N5O2- 1 167.0449 -0.93
+  167.0821 C8H11N2O2- 1 167.0826 -2.81
+  168.0765 C5H8N6O- 1 168.0765 0.17
+  169.0966 C6H11N5O- 1 169.0969 -1.7
+  170.0919 C5H10N6O- 1 170.0922 -1.28
+  176.0453 C6H4N6O- 1 176.0452 0.61
+  177.0529 C6H5N6O- 1 177.053 -0.83
+  177.0659 C7H7N5O- 1 177.0656 1.91
+  178.0608 C6H6N6O- 1 178.0609 -0.54
+  178.0838 C5H12N3O4- 3 178.0833 2.74
+  179.0447 C6H5N5O2- 1 179.0449 -0.9
+  179.1174 C8H13N5- 1 179.1176 -1.09
+  180.0764 C6H8N6O- 1 180.0765 -0.57
+  180.113 C7H12N6- 1 180.1129 0.82
+  181.0605 C6H7N5O2- 1 181.0605 -0.08
+  181.1329 C8H15N5- 1 181.1333 -2.29
+  183.0396 C5H5N5O3- 1 183.0398 -0.99
+  184.0712 C5H8N6O2- 1 184.0714 -1.24
+  185.0553 C5H7N5O3- 1 185.0554 -0.85
+  186.1119 C7H14N4O2- 1 186.1122 -1.96
+  190.0609 C7H6N6O- 1 190.0609 0.23
+  191.0451 C7H5N5O2- 1 191.0449 1.39
+  191.1175 C9H13N5- 1 191.1176 -0.54
+  192.0766 C7H8N6O- 1 192.0765 0.57
+  193.0605 C7H7N5O2- 1 193.0605 -0.25
+  193.0967 C8H11N5O- 1 193.0969 -1.33
+  195.1125 C8H13N5O- 1 195.1126 -0.27
+  196.0714 C6H8N6O2- 1 196.0714 -0.35
+  199.0864 C10H9N5- 1 199.0863 0.35
+  200.0701 C10H8N4O- 1 200.0704 -1.21
+  203.0813 C9H9N5O- 1 203.0813 0.21
+  204.0766 C8H8N6O- 1 204.0765 0.46
+  206.0558 C7H6N6O2- 1 206.0558 0.07
+  207.1123 C9H13N5O- 1 207.1126 -1.31
+  208.0714 C7H8N6O2- 1 208.0714 -0.28
+  208.144 C9H16N6- 1 208.1442 -1.03
+  209.1032 C8H17O6- 2 209.1031 0.62
+  209.1281 C9H15N5O- 1 209.1282 -0.48
+  210.0868 C7H10N6O2- 3 210.0871 -1.43
+  215.0809 C10H9N5O- 3 215.0813 -1.43
+  217.0967 C10H11N5O- 1 217.0969 -0.99
+  224.139 C9H16N6O- 1 224.1391 -0.44
+  226.1544 C9H18N6O- 3 226.1548 -1.42
+  232.1072 C10H12N6O- 3 232.1078 -2.69
+  234.1233 C10H14N6O- 1 234.1235 -0.58
+  236.0669 C8H8N6O3- 2 236.0663 2.47
+  236.1023 C9H12N6O2- 3 236.1027 -1.7
+  239.1174 C13H13N5- 3 239.1176 -1.03
+  246.0868 C10H10N6O2- 3 246.0871 -1.16
+  246.1123 C12H14N4O2- 1 246.1122 0.37
+  250.1178 C10H14N6O2- 3 250.1184 -2.09
+  252.1337 C10H16N6O2- 3 252.134 -1.16
+  255.1133 H21N3O12- 5 255.1131 0.9
+  256.1441 C13H16N6- 3 256.1442 -0.31
+  257.1279 C13H15N5O- 4 257.1282 -1.2
+  260.1029 C11H12N6O2- 2 260.1027 0.83
+  262.1908 C13H22N6- 3 262.1911 -1.28
+  263.113 C10H13N7O2- 4 263.1136 -2.21
+  264.0973 C10H12N6O3- 3 264.0976 -1.11
+  265.1655 C10H23N3O5- 4 265.1643 4.48
+  274.1545 C13H18N6O- 4 274.1548 -0.76
+  281.1239 C10H15N7O3- 4 281.1242 -0.91
+  283.1758 C11H21N7O2- 4 283.1762 -1.34
+  291.1086 C12H19O8- 5 291.1085 0.19
+  296.1393 C15H16N6O- 6 296.1391 0.77
+  300.134 C14H16N6O2- 7 300.134 -0.11
+  309.1201 C12H11N11- 5 309.1204 -1.12
+  323.2077 C15H31O7- 8 323.2075 0.39
+  329.1599 CH31NO17- 8 329.1597 0.55
+  357.1454 C18H15N9- 8 357.1456 -0.61
+  528.2454 C10H34N13O12- 16 528.2455 -0.29
+  625.2982 C16H47N7O18- 20 625.2983 -0.23
+PK$NUM_PEAK: 124
+PK$PEAK: m/z int. rel.int.
+  100.039 1426678.9 12
+  108.044 1232116.6 10
+  109.0283 1917903.6 16
+  109.0394 4824833.5 42
+  110.0235 1734410.2 15
+  110.0597 1392381.1 12
+  111.0188 2390517.8 20
+  111.044 2820783.8 24
+  111.055 22064752 193
+  112.039 2194113.5 19
+  113.0344 3846576.5 33
+  113.0706 23983644 209
+  114.0547 3515214.2 30
+  119.0486 1223772.1 10
+  121.0394 14029382 122
+  122.0596 1169986.9 10
+  123.055 12542725 109
+  124.039 6976771 61
+  125.0343 11489765 100
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+  128.034 11148399 97
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+  166.049 1208228.8 10
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+  167.0447 15323195 134
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+  357.1454 25690812 224
+  528.2454 7309676.5 63
+  625.2982 12557641 109
+//
diff --git a/Eawag/MSBNK-MLU-ED025956.txt b/Eawag/MSBNK-MLU-ED025956.txt
new file mode 100644
index 0000000000..e7309435cd
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED025956.txt
@@ -0,0 +1,279 @@
+ACCESSION: MSBNK-MLU-ED025956
+RECORD_TITLE: Tychonamide B; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], C. Mehner  [dtc], G. M. Koenig  [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 259
+CH$NAME: Tychonamide B
+CH$NAME: [1-[(3S,12R,19S,25R,28S,31E,34S,37R,40S)-12-(3-amino-3-oxopropyl)-37-[(2S)-butan-2-yl]-31-ethylidene-15-hydroxy-28-[(1R)-1-hydroxyethyl]-34-(hydroxymethyl)-2,8,11,14,18,24,27,30,33,36,39-undecaoxo-25-(2-phenylethyl)-1,7,10,13,17,23,26,29,32,35,38-undecazatetracyclo[38.3.0.03,7.019,23]tritetracontan-16-yl]-4-hydroxy-5-phenylpentan-2-yl] (2S)-2-[acetyl(methyl)amino]-4-methylpentanoate
+CH$NAME: 1-((6R,9S,15S,18R,20aS,25aS,34R,40aS,E)-34-(3-amino-3-oxopropyl)-18-((S)-sec-butyl)-12-ethylidene-37-hydroxy-9-((R)-1-hydroxyethyl)-15-(hydroxymethyl)-5,8,11,14,17,20,25,30,33,36,40-undecaoxo-6-phenethyloctatriacontahydro-1H,25H-tripyrrolo[1,2-b1:1`,2`-g:1``,2``-j][1,4,7,10,13,16,19,22,25,28,31]undecaazacyclotetratriacontin-38-yl)-4-hydroxy-5-phenylpentan-2-yl N-acetyl-N-methyl-L-leucinate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C72H105N13O19
+CH$EXACT_MASS: 1455.764968
+CH$SMILES: O=C([C@@H](CCC(N)=O)NC1=O)NCC(N2[C@@H](CCC2)C(N3[C@@H](CCC3)C(N[C@H]([C@@H](C)CC)C(N[C@@H](CO)C(N/C(C(N[C@@H]([C@@H](C)O)C(N[C@H](CCC4=CC=CC=C4)C(N5[C@@H](CCC5)C(NC(CC(OC([C@H](CC(C)C)N(C)C(C)=O)=O)CC(O)CC6=CC=CC=C6)C1O)=O)=O)=O)=O)=C/C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C72H105N13O19/c1-9-41(5)59-67(98)79-52(39-86)64(95)75-48(10-2)63(94)81-60(42(6)87)68(99)77-50(28-27-44-20-13-11-14-21-44)70(101)84-32-17-24-53(84)65(96)78-51(37-47(36-46(89)35-45-22-15-12-16-23-45)104-72(103)56(34-40(3)4)82(8)43(7)88)61(92)69(100)76-49(29-30-57(73)90)62(93)74-38-58(91)83-31-19-26-55(83)71(102)85-33-18-25-54(85)66(97)80-59/h10-16,20-23,40-42,46-47,49-56,59-61,86-87,89,92H,9,17-19,24-39H2,1-8H3,(H2,73,90)(H,74,93)(H,75,95)(H,76,100)(H,77,99)(H,78,96)(H,79,98)(H,80,97)(H,81,94)/b48-10+/t41-,42+,46?,47?,49+,50+,51?,52-,53-,54-,55-,56-,59+,60-,61?/m0/s1
+CH$LINK: PUBCHEM CID:155802199
+CH$LINK: INCHIKEY MTUBMTPWQGVXCG-UDDZTRNDSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 100-1500
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.748 min
+MS$FOCUSED_ION: BASE_PEAK 1454.7573
+MS$FOCUSED_ION: PRECURSOR_M/Z 1454.7577
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 701039342
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0w4l-0920000000-5b3770bc65c944d3eb31
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  108.044 C4H4N4- 1 108.0441 -1.79
+  109.0282 C4H3N3O- 1 109.0282 0.76
+  109.0394 C3H3N5- 1 109.0394 -0.39
+  110.0234 C3H2N4O- 1 110.0234 0.21
+  110.0597 C4H6N4- 1 110.0598 -0.5
+  111.0188 C2HN5O- 1 111.0187 0.96
+  111.0438 C4H5N3O- 1 111.0438 0.08
+  111.055 C3H5N5- 1 111.055 -0.42
+  112.0391 C3H4N4O- 1 112.0391 0.23
+  113.0343 C2H3N5O- 1 113.0343 0.32
+  113.0707 C3H7N5- 1 113.0707 -0.29
+  114.0548 C3H6N4O- 1 114.0547 0.51
+  119.0488 C6H5N3- 1 119.0489 -0.61
+  121.0394 C4H3N5- 1 121.0394 -0.08
+  122.0236 C4H2N4O- 1 122.0234 1.48
+  122.0599 C5H6N4- 1 122.0598 1.22
+  123.055 C4H5N5- 1 123.055 -0.24
+  124.0391 C4H4N4O- 1 124.0391 0.01
+  125.0343 C3H3N5O- 1 125.0343 0.05
+  125.0707 C4H7N5- 1 125.0707 -0.08
+  126.0184 C3H2N4O2- 1 126.0183 0.23
+  126.0547 C4H6N4O- 1 126.0547 0.04
+  127.05 C3H5N5O- 1 127.05 0
+  128.034 C3H4N4O2- 1 128.034 0.5
+  129.102 C4H11N5- 1 129.102 -0.25
+  135.0551 C5H5N5- 1 135.055 0.22
+  136.0394 C5H4N4O- 1 136.0391 2.58
+  137.0344 C4H3N5O- 1 137.0343 0.65
+  137.0707 C5H7N5- 1 137.0707 0.03
+  138.0548 C5H6N4O- 1 138.0547 0.57
+  138.066 C4H6N6- 1 138.0659 0.33
+  139.05 C4H5N5O- 1 139.05 0.43
+  139.0861 C5H9N5- 1 139.0863 -1.5
+  140.0816 C4H8N6- 1 140.0816 0.34
+  141.0656 C4H7N5O- 1 141.0656 0.23
+  142.1225 C6H14N4- 1 142.1224 0.74
+  144.1017 C5H12N4O- 1 144.1017 0.16
+  147.0549 C6H5N5- 1 147.055 -0.79
+  149.0343 C5H3N5O- 1 149.0343 -0.12
+  149.0705 C6H7N5- 1 149.0707 -1.52
+  150.0548 C6H6N4O- 1 150.0547 0.71
+  151.0137 C4HN5O2- 1 151.0136 1.02
+  151.05 C5H5N5O- 1 151.05 0.15
+  151.0864 C6H9N5- 1 151.0863 0.5
+  152.0814 C5H8N6- 1 152.0816 -1.16
+  153.0656 C5H7N5O- 1 153.0656 -0.18
+  155.0448 C4H5N5O2- 1 155.0449 -0.44
+  155.0812 C5H9N5O- 1 155.0813 -0.69
+  156.0771 C4H8N6O- 2 156.0765 4.06
+  163.0374 C5H3N6O- 1 163.0374 0.14
+  163.0497 C6H5N5O- 1 163.05 -1.37
+  164.0813 C6H8N6- 1 164.0816 -1.54
+  165.0293 C5H3N5O2- 1 165.0292 0.27
+  165.0656 C6H7N5O- 1 165.0656 -0.34
+  165.1018 C7H11N5- 1 165.102 -1.04
+  166.049 C6H6N4O2- 3 166.0496 -3.48
+  166.061 C5H6N6O- 1 166.0609 1.01
+  167.0447 C5H5N5O2- 1 167.0449 -0.93
+  168.0765 C5H8N6O- 1 168.0765 -0.1
+  169.0968 C6H11N5O- 1 169.0969 -0.71
+  170.092 C5H10N6O- 1 170.0922 -0.74
+  176.0455 C6H4N6O- 1 176.0452 1.47
+  177.0527 C6H5N6O- 1 177.053 -1.61
+  177.1016 C8H11N5- 1 177.102 -2.45
+  178.0609 C6H6N6O- 1 178.0609 0.23
+  178.0834 C5H12N3O4- 1 178.0833 0.25
+  179.0447 C6H5N5O2- 1 179.0449 -0.82
+  179.1175 C8H13N5- 1 179.1176 -0.92
+  180.0766 C6H8N6O- 1 180.0765 0.28
+  180.1133 C7H12N6- 1 180.1129 2.18
+  181.0606 C6H7N5O2- 1 181.0605 0.25
+  181.1331 C8H15N5- 1 181.1333 -1.28
+  183.0397 C5H5N5O3- 1 183.0398 -0.32
+  184.0713 C5H8N6O2- 1 184.0714 -0.58
+  189.1019 C9H11N5- 1 189.102 -0.5
+  190.0605 C7H6N6O- 3 190.0609 -2.1
+  191.0449 C7H5N5O2- 1 191.0449 0.35
+  191.1176 C9H13N5- 1 191.1176 -0.14
+  192.0764 C7H8N6O- 1 192.0765 -0.3
+  193.0602 C7H7N5O2- 1 193.0605 -1.83
+  193.0969 C8H11N5O- 1 193.0969 -0.06
+  195.1122 C8H13N5O- 3 195.1126 -1.91
+  196.071 C6H8N6O2- 3 196.0714 -1.98
+  199.086 C10H9N5- 1 199.0863 -1.49
+  200.0701 C10H8N4O- 1 200.0704 -1.06
+  203.0818 C9H9N5O- 2 203.0813 2.76
+  204.0772 C8H8N6O- 2 204.0765 3.37
+  207.1122 C9H13N5O- 3 207.1126 -1.9
+  208.0716 C7H8N6O2- 1 208.0714 0.67
+  208.144 C9H16N6- 1 208.1442 -1.03
+  209.1032 C8H17O6- 2 209.1031 0.69
+  209.128 C9H15N5O- 1 209.1282 -0.92
+  210.087 C7H10N6O2- 1 210.0871 -0.49
+  215.0807 C10H9N5O- 3 215.0813 -2.57
+  217.0968 C10H11N5O- 1 217.0969 -0.57
+  224.1388 C9H16N6O- 3 224.1391 -1.53
+  226.1545 C9H18N6O- 3 226.1548 -1.28
+  232.1079 C10H12N6O- 1 232.1078 0.4
+  234.123 C10H14N6O- 3 234.1235 -2.15
+  236.0665 C8H8N6O3- 2 236.0663 0.86
+  236.1026 C9H12N6O2- 1 236.1027 -0.6
+  239.1175 C13H13N5- 2 239.1176 -0.45
+  246.0865 C10H10N6O2- 3 246.0871 -2.21
+  250.1182 C10H14N6O2- 3 250.1184 -0.69
+  252.1334 C10H16N6O2- 3 252.134 -2.49
+  256.1438 C13H16N6- 3 256.1442 -1.38
+  257.1277 C13H15N5O- 4 257.1282 -1.91
+  260.1027 C11H12N6O2- 3 260.1027 -0.23
+  262.1908 C13H22N6- 3 262.1911 -1.17
+  263.1133 C10H13N7O2- 4 263.1136 -1.05
+  264.0972 C10H12N6O3- 3 264.0976 -1.69
+  265.1651 C10H23N3O5- 4 265.1643 2.76
+  274.1547 C13H18N6O- 5 274.1548 -0.09
+  281.1242 C10H15N7O3- 5 281.1242 -0.05
+  283.1758 C11H21N7O2- 4 283.1762 -1.34
+  291.1086 C12H19O8- 5 291.1085 0.08
+  296.1391 C15H16N6O- 8 296.1391 -0.16
+  357.1451 C18H15N9- 9 357.1456 -1.3
+PK$NUM_PEAK: 118
+PK$PEAK: m/z int. rel.int.
+  108.044 1976302.5 18
+  109.0282 1980903.4 18
+  109.0394 5447962 51
+  110.0234 2053155.2 19
+  110.0597 1979452.2 18
+  111.0188 3869535.5 36
+  111.0438 3129704.8 29
+  111.055 21855098 208
+  112.0391 3387999.2 32
+  113.0343 5845673 55
+  113.0707 36095512 344
+  114.0548 3967009 37
+  119.0488 1395911.6 13
+  121.0394 13764995 131
+  122.0236 1145262.4 10
+  122.0599 1698008 16
+  123.055 12331025 117
+  124.0391 8414044 80
+  125.0343 17399884 165
+  125.0707 3314831.8 31
+  126.0184 4137740.2 39
+  126.0547 3714900.5 35
+  127.05 39609180 377
+  128.034 6762309.5 64
+  129.102 9656706 92
+  135.0551 4966024 47
+  136.0394 5514656 52
+  137.0344 1820310 17
+  137.0707 2454729.5 23
+  138.0548 3180461.8 30
+  138.066 6943036.5 66
+  139.05 26791824 255
+  139.0861 4247561 40
+  140.0816 2207383.5 21
+  141.0656 4692438.5 44
+  142.1225 5098539.5 48
+  144.1017 95884560 914
+  147.0549 1792795 17
+  149.0343 1298013 12
+  149.0705 2595528.2 24
+  150.0548 1798196.5 17
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+  152.0814 3953736.8 37
+  153.0656 104773016 999
+  155.0448 2536231 24
+  155.0812 8878319 84
+  156.0771 5387736 51
+  163.0374 1461680.1 13
+  163.0497 11187205 106
+  164.0813 1551964 14
+  165.0293 1364566.6 13
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+  167.0447 6776796 64
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+  215.0807 2233876.8 21
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+  224.1388 1323760.9 12
+  226.1545 44594412 425
+  232.1079 1352242.9 12
+  234.123 1113711.8 10
+  236.0665 1367742.4 13
+  236.1026 2010980.2 19
+  239.1175 2262000.5 21
+  246.0865 1511848.9 14
+  250.1182 2729431.2 26
+  252.1334 3237989.5 30
+  256.1438 3911955.2 37
+  257.1277 4050042.5 38
+  260.1027 1053455.2 10
+  262.1908 1679780.6 16
+  263.1133 1912574.6 18
+  264.0972 6933892 66
+  265.1651 3180461.8 30
+  274.1547 5749674.5 54
+  281.1242 8303599 79
+  283.1758 4002423.8 38
+  291.1086 3836054.8 36
+  296.1391 1709451.5 16
+  357.1451 2924378.2 27
+//
diff --git a/Eawag/MSBNK-MLU-ED025957.txt b/Eawag/MSBNK-MLU-ED025957.txt
new file mode 100644
index 0000000000..0fea48e186
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED025957.txt
@@ -0,0 +1,247 @@
+ACCESSION: MSBNK-MLU-ED025957
+RECORD_TITLE: Tychonamide B; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], C. Mehner  [dtc], G. M. Koenig  [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 259
+CH$NAME: Tychonamide B
+CH$NAME: [1-[(3S,12R,19S,25R,28S,31E,34S,37R,40S)-12-(3-amino-3-oxopropyl)-37-[(2S)-butan-2-yl]-31-ethylidene-15-hydroxy-28-[(1R)-1-hydroxyethyl]-34-(hydroxymethyl)-2,8,11,14,18,24,27,30,33,36,39-undecaoxo-25-(2-phenylethyl)-1,7,10,13,17,23,26,29,32,35,38-undecazatetracyclo[38.3.0.03,7.019,23]tritetracontan-16-yl]-4-hydroxy-5-phenylpentan-2-yl] (2S)-2-[acetyl(methyl)amino]-4-methylpentanoate
+CH$NAME: 1-((6R,9S,15S,18R,20aS,25aS,34R,40aS,E)-34-(3-amino-3-oxopropyl)-18-((S)-sec-butyl)-12-ethylidene-37-hydroxy-9-((R)-1-hydroxyethyl)-15-(hydroxymethyl)-5,8,11,14,17,20,25,30,33,36,40-undecaoxo-6-phenethyloctatriacontahydro-1H,25H-tripyrrolo[1,2-b1:1`,2`-g:1``,2``-j][1,4,7,10,13,16,19,22,25,28,31]undecaazacyclotetratriacontin-38-yl)-4-hydroxy-5-phenylpentan-2-yl N-acetyl-N-methyl-L-leucinate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C72H105N13O19
+CH$EXACT_MASS: 1455.764968
+CH$SMILES: O=C([C@@H](CCC(N)=O)NC1=O)NCC(N2[C@@H](CCC2)C(N3[C@@H](CCC3)C(N[C@H]([C@@H](C)CC)C(N[C@@H](CO)C(N/C(C(N[C@@H]([C@@H](C)O)C(N[C@H](CCC4=CC=CC=C4)C(N5[C@@H](CCC5)C(NC(CC(OC([C@H](CC(C)C)N(C)C(C)=O)=O)CC(O)CC6=CC=CC=C6)C1O)=O)=O)=O)=O)=C/C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C72H105N13O19/c1-9-41(5)59-67(98)79-52(39-86)64(95)75-48(10-2)63(94)81-60(42(6)87)68(99)77-50(28-27-44-20-13-11-14-21-44)70(101)84-32-17-24-53(84)65(96)78-51(37-47(36-46(89)35-45-22-15-12-16-23-45)104-72(103)56(34-40(3)4)82(8)43(7)88)61(92)69(100)76-49(29-30-57(73)90)62(93)74-38-58(91)83-31-19-26-55(83)71(102)85-33-18-25-54(85)66(97)80-59/h10-16,20-23,40-42,46-47,49-56,59-61,86-87,89,92H,9,17-19,24-39H2,1-8H3,(H2,73,90)(H,74,93)(H,75,95)(H,76,100)(H,77,99)(H,78,96)(H,79,98)(H,80,97)(H,81,94)/b48-10+/t41-,42+,46?,47?,49+,50+,51?,52-,53-,54-,55-,56-,59+,60-,61?/m0/s1
+CH$LINK: PUBCHEM CID:155802199
+CH$LINK: INCHIKEY MTUBMTPWQGVXCG-UDDZTRNDSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 100-1500
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.748 min
+MS$FOCUSED_ION: BASE_PEAK 1454.7573
+MS$FOCUSED_ION: PRECURSOR_M/Z 1454.7577
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 701039342
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0w4l-0900000000-f3eb48053fedef9e2ac9
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  107.024 C3HN5- 1 107.0237 2.04
+  108.0077 C3N4O- 1 108.0078 -0.44
+  108.0318 C3H2N5- 1 108.0316 2.19
+  108.044 C4H4N4- 1 108.0441 -1.29
+  109.0283 C4H3N3O- 1 109.0282 0.83
+  109.0393 C3H3N5- 1 109.0394 -0.46
+  110.0234 C3H2N4O- 1 110.0234 0.07
+  110.0595 C4H6N4- 1 110.0598 -2.44
+  111.0187 C2HN5O- 1 111.0187 0.41
+  111.0438 C4H5N3O- 1 111.0438 -0.19
+  111.055 C3H5N5- 1 111.055 -0.29
+  112.039 C3H4N4O- 1 112.0391 -0.86
+  112.0502 C2H4N6- 1 112.0503 -0.82
+  113.0344 C2H3N5O- 1 113.0343 0.39
+  113.0707 C3H7N5- 1 113.0707 -0.29
+  114.0546 C3H6N4O- 1 114.0547 -0.69
+  119.0487 C6H5N3- 1 119.0489 -1.76
+  120.019 C3N6- 1 120.019 0.18
+  121.0394 C4H3N5- 1 121.0394 -0.08
+  122.0234 C4H2N4O- 1 122.0234 0.04
+  122.0475 C4H4N5- 1 122.0472 2.49
+  122.0597 C5H6N4- 1 122.0598 -0.84
+  123.0188 C3HN5O- 1 123.0187 0.82
+  123.055 C4H5N5- 1 123.055 -0.24
+  124.0262 C3H2N5O- 1 124.0265 -2.3
+  124.0391 C4H4N4O- 1 124.0391 0.01
+  125.0343 C3H3N5O- 1 125.0343 -0.07
+  125.0706 C4H7N5- 1 125.0707 -0.45
+  126.0182 C3H2N4O2- 1 126.0183 -1.04
+  126.0546 C4H6N4O- 1 126.0547 -0.5
+  127.05 C3H5N5O- 1 127.05 -0.06
+  128.034 C3H4N4O2- 1 128.034 0.5
+  129.102 C4H11N5- 1 129.102 0.1
+  135.0188 C4HN5O- 1 135.0187 1.42
+  135.0551 C5H5N5- 1 135.055 0.11
+  136.0392 C5H4N4O- 1 136.0391 0.9
+  136.0504 C4H4N6- 1 136.0503 0.88
+  137.0342 C4H3N5O- 1 137.0343 -0.47
+  137.0708 C5H7N5- 1 137.0707 1.03
+  138.0549 C5H6N4O- 1 138.0547 1.13
+  138.066 C4H6N6- 1 138.0659 0.77
+  139.05 C4H5N5O- 1 139.05 0.43
+  139.0863 C5H9N5- 1 139.0863 -0.18
+  140.0816 C4H8N6- 1 140.0816 0.23
+  141.0656 C4H7N5O- 1 141.0656 -0.31
+  142.1224 C6H14N4- 1 142.1224 0.2
+  143.1175 C5H13N5- 1 143.1176 -1.32
+  144.1017 C5H12N4O- 1 144.1017 0.16
+  147.0548 C6H5N5- 1 147.055 -1.51
+  148.0503 C5H4N6- 1 148.0503 0.21
+  149.0343 C5H3N5O- 1 149.0343 0.18
+  149.0706 C6H7N5- 1 149.0707 -0.59
+  150.0547 C6H6N4O- 1 150.0547 -0.21
+  151.0135 C4HN5O2- 1 151.0136 -0.7
+  151.0499 C5H5N5O- 1 151.05 -0.15
+  151.0738 C5H7N6- 1 151.0738 0.01
+  151.0864 C6H9N5- 1 151.0863 0.29
+  152.0815 C5H8N6- 1 152.0816 -0.46
+  153.0656 C5H7N5O- 1 153.0656 -0.28
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+  166.0612 C5H6N6O- 1 166.0609 2.11
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+  190.0604 C7H6N6O- 3 190.0609 -2.42
+  191.1175 C9H13N5- 1 191.1176 -0.86
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+  200.0702 C10H8N4O- 1 200.0704 -0.83
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+  257.1277 C13H15N5O- 4 257.1282 -1.91
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+  274.1543 C13H18N6O- 4 274.1548 -1.76
+  281.124 C10H15N7O3- 4 281.1242 -0.81
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+//
diff --git a/Eawag/MSBNK-MLU-ED025958.txt b/Eawag/MSBNK-MLU-ED025958.txt
new file mode 100644
index 0000000000..913933a411
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED025958.txt
@@ -0,0 +1,215 @@
+ACCESSION: MSBNK-MLU-ED025958
+RECORD_TITLE: Tychonamide B; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], C. Mehner  [dtc], G. M. Koenig  [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 259
+CH$NAME: Tychonamide B
+CH$NAME: [1-[(3S,12R,19S,25R,28S,31E,34S,37R,40S)-12-(3-amino-3-oxopropyl)-37-[(2S)-butan-2-yl]-31-ethylidene-15-hydroxy-28-[(1R)-1-hydroxyethyl]-34-(hydroxymethyl)-2,8,11,14,18,24,27,30,33,36,39-undecaoxo-25-(2-phenylethyl)-1,7,10,13,17,23,26,29,32,35,38-undecazatetracyclo[38.3.0.03,7.019,23]tritetracontan-16-yl]-4-hydroxy-5-phenylpentan-2-yl] (2S)-2-[acetyl(methyl)amino]-4-methylpentanoate
+CH$NAME: 1-((6R,9S,15S,18R,20aS,25aS,34R,40aS,E)-34-(3-amino-3-oxopropyl)-18-((S)-sec-butyl)-12-ethylidene-37-hydroxy-9-((R)-1-hydroxyethyl)-15-(hydroxymethyl)-5,8,11,14,17,20,25,30,33,36,40-undecaoxo-6-phenethyloctatriacontahydro-1H,25H-tripyrrolo[1,2-b1:1`,2`-g:1``,2``-j][1,4,7,10,13,16,19,22,25,28,31]undecaazacyclotetratriacontin-38-yl)-4-hydroxy-5-phenylpentan-2-yl N-acetyl-N-methyl-L-leucinate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C72H105N13O19
+CH$EXACT_MASS: 1455.764968
+CH$SMILES: O=C([C@@H](CCC(N)=O)NC1=O)NCC(N2[C@@H](CCC2)C(N3[C@@H](CCC3)C(N[C@H]([C@@H](C)CC)C(N[C@@H](CO)C(N/C(C(N[C@@H]([C@@H](C)O)C(N[C@H](CCC4=CC=CC=C4)C(N5[C@@H](CCC5)C(NC(CC(OC([C@H](CC(C)C)N(C)C(C)=O)=O)CC(O)CC6=CC=CC=C6)C1O)=O)=O)=O)=O)=C/C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C72H105N13O19/c1-9-41(5)59-67(98)79-52(39-86)64(95)75-48(10-2)63(94)81-60(42(6)87)68(99)77-50(28-27-44-20-13-11-14-21-44)70(101)84-32-17-24-53(84)65(96)78-51(37-47(36-46(89)35-45-22-15-12-16-23-45)104-72(103)56(34-40(3)4)82(8)43(7)88)61(92)69(100)76-49(29-30-57(73)90)62(93)74-38-58(91)83-31-19-26-55(83)71(102)85-33-18-25-54(85)66(97)80-59/h10-16,20-23,40-42,46-47,49-56,59-61,86-87,89,92H,9,17-19,24-39H2,1-8H3,(H2,73,90)(H,74,93)(H,75,95)(H,76,100)(H,77,99)(H,78,96)(H,79,98)(H,80,97)(H,81,94)/b48-10+/t41-,42+,46?,47?,49+,50+,51?,52-,53-,54-,55-,56-,59+,60-,61?/m0/s1
+CH$LINK: PUBCHEM CID:155802199
+CH$LINK: INCHIKEY MTUBMTPWQGVXCG-UDDZTRNDSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 100-1500
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.748 min
+MS$FOCUSED_ION: BASE_PEAK 1454.7573
+MS$FOCUSED_ION: PRECURSOR_M/Z 1454.7577
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 701039342
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0w2c-0900000000-e0ff2b7fa26147372af2
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
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+  108.0077 C3N4O- 1 108.0078 -0.15
+  108.0317 C3H2N5- 1 108.0316 1.42
+  108.044 C4H4N4- 1 108.0441 -1.51
+  109.0394 C3H3N5- 1 109.0394 0.1
+  110.0234 C3H2N4O- 1 110.0234 0.14
+  110.0596 C4H6N4- 1 110.0598 -1.33
+  111.0186 C2HN5O- 1 111.0187 -0.14
+  111.055 C3H5N5- 1 111.055 -0.42
+  112.0268 C2H2N5O- 1 112.0265 2.57
+  112.039 C3H4N4O- 1 112.0391 -0.32
+  112.0503 C2H4N6- 1 112.0503 0.07
+  113.0344 C2H3N5O- 1 113.0343 0.73
+  113.0706 C3H7N5- 1 113.0707 -0.5
+  114.0547 C3H6N4O- 1 114.0547 -0.29
+  119.0491 C6H5N3- 1 119.0489 2.02
+  120.0189 C3N6- 1 120.019 -1.03
+  121.0394 C4H3N5- 1 121.0394 -0.27
+  122.0236 C4H2N4O- 1 122.0234 1.42
+  122.0474 C4H4N5- 1 122.0472 1.68
+  122.0598 C5H6N4- 1 122.0598 0.22
+  123.0187 C3HN5O- 1 123.0187 0.7
+  123.055 C4H5N5- 1 123.055 -0.24
+  124.0265 C3H2N5O- 1 124.0265 0.28
+  124.039 C4H4N4O- 1 124.0391 -0.17
+  125.0343 C3H3N5O- 1 125.0343 -0.07
+  125.0706 C4H7N5- 1 125.0707 -0.75
+  126.0547 C4H6N4O- 1 126.0547 0.16
+  127.05 C3H5N5O- 1 127.05 0.12
+  128.034 C3H4N4O2- 1 128.034 0.5
+  129.102 C4H11N5- 1 129.102 -0.01
+  134.0346 C4H2N6- 1 134.0346 0.04
+  135.0189 C4HN5O- 1 135.0187 2.1
+  135.055 C5H5N5- 1 135.055 0
+  136.039 C5H4N4O- 1 136.0391 -0.33
+  136.0502 C4H4N6- 1 136.0503 -0.58
+  137.0342 C4H3N5O- 1 137.0343 -0.91
+  137.0709 C5H7N5- 1 137.0707 1.14
+  138.0547 C5H6N4O- 1 138.0547 0.24
+  138.066 C4H6N6- 1 138.0659 0.55
+  139.05 C4H5N5O- 1 139.05 0.1
+  139.0862 C5H9N5- 1 139.0863 -1.06
+  140.0814 C4H8N6- 1 140.0816 -1.51
+  141.0656 C4H7N5O- 1 141.0656 -0.21
+  144.1017 C5H12N4O- 1 144.1017 0.06
+  147.055 C6H5N5- 1 147.055 -0.37
+  148.0504 C5H4N6- 1 148.0503 0.52
+  149.0344 C5H3N5O- 1 149.0343 0.28
+  149.0704 C6H7N5- 1 149.0707 -1.72
+  150.0546 C6H6N4O- 1 150.0547 -0.72
+  151.0137 C4HN5O2- 1 151.0136 0.51
+  151.05 C5H5N5O- 1 151.05 -0.05
+  151.0737 C5H7N6- 1 151.0738 -0.6
+  151.0864 C6H9N5- 1 151.0863 0.29
+  152.0816 C5H8N6- 1 152.0816 -0.05
+  153.0656 C5H7N5O- 1 153.0656 -0.28
+  155.0812 C5H9N5O- 1 155.0813 -0.2
+  161.0705 C7H7N5- 1 161.0707 -0.97
+  163.0373 C5H3N6O- 1 163.0374 -0.61
+  163.0499 C6H5N5O- 1 163.05 -0.06
+  164.0815 C6H8N6- 1 164.0816 -0.33
+  165.0655 C6H7N5O- 1 165.0656 -0.62
+  165.1015 C7H11N5- 2 165.102 -3.17
+  166.061 C5H6N6O- 1 166.0609 1.1
+  167.0445 C5H5N5O2- 1 167.0449 -2.12
+  167.0821 C8H11N2O2- 1 167.0826 -2.9
+  168.0761 C5H8N6O- 1 168.0765 -2.19
+  169.0965 C6H11N5O- 1 169.0969 -2.16
+  170.092 C5H10N6O- 1 170.0922 -1.19
+  176.0453 C6H4N6O- 1 176.0452 0.69
+  177.0528 C6H5N6O- 1 177.053 -1.35
+  177.1019 C8H11N5- 1 177.102 -0.56
+  178.0608 C6H6N6O- 1 178.0609 -0.11
+  179.0448 C6H5N5O2- 1 179.0449 -0.56
+  179.1176 C8H13N5- 1 179.1176 -0.41
+  181.1332 C8H15N5- 1 181.1333 -0.52
+  189.1021 C9H11N5- 1 189.102 0.55
+  190.0609 C7H6N6O- 1 190.0609 0.31
+  191.1176 C9H13N5- 1 191.1176 -0.14
+  192.0772 C7H8N6O- 2 192.0765 3.67
+  199.0862 C10H9N5- 1 199.0863 -0.8
+  204.0761 C8H8N6O- 3 204.0765 -2.24
+  208.1441 C9H16N6- 1 208.1442 -0.3
+  209.1275 C9H15N5O- 3 209.1282 -3.54
+  210.0869 C7H10N6O2- 1 210.0871 -0.63
+  226.1545 C9H18N6O- 3 226.1548 -0.95
+PK$NUM_PEAK: 86
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+  226.1545 4736598.5 76
+//
diff --git a/Eawag/MSBNK-MLU-ED025959.txt b/Eawag/MSBNK-MLU-ED025959.txt
new file mode 100644
index 0000000000..c0ee3d7ab4
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED025959.txt
@@ -0,0 +1,221 @@
+ACCESSION: MSBNK-MLU-ED025959
+RECORD_TITLE: Tychonamide B; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], C. Mehner  [dtc], G. M. Koenig  [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 259
+CH$NAME: Tychonamide B
+CH$NAME: [1-[(3S,12R,19S,25R,28S,31E,34S,37R,40S)-12-(3-amino-3-oxopropyl)-37-[(2S)-butan-2-yl]-31-ethylidene-15-hydroxy-28-[(1R)-1-hydroxyethyl]-34-(hydroxymethyl)-2,8,11,14,18,24,27,30,33,36,39-undecaoxo-25-(2-phenylethyl)-1,7,10,13,17,23,26,29,32,35,38-undecazatetracyclo[38.3.0.03,7.019,23]tritetracontan-16-yl]-4-hydroxy-5-phenylpentan-2-yl] (2S)-2-[acetyl(methyl)amino]-4-methylpentanoate
+CH$NAME: 1-((6R,9S,15S,18R,20aS,25aS,34R,40aS,E)-34-(3-amino-3-oxopropyl)-18-((S)-sec-butyl)-12-ethylidene-37-hydroxy-9-((R)-1-hydroxyethyl)-15-(hydroxymethyl)-5,8,11,14,17,20,25,30,33,36,40-undecaoxo-6-phenethyloctatriacontahydro-1H,25H-tripyrrolo[1,2-b1:1`,2`-g:1``,2``-j][1,4,7,10,13,16,19,22,25,28,31]undecaazacyclotetratriacontin-38-yl)-4-hydroxy-5-phenylpentan-2-yl N-acetyl-N-methyl-L-leucinate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C72H105N13O19
+CH$EXACT_MASS: 1455.764968
+CH$SMILES: O=C([C@@H](CCC(N)=O)NC1=O)NCC(N2[C@@H](CCC2)C(N3[C@@H](CCC3)C(N[C@H]([C@@H](C)CC)C(N[C@@H](CO)C(N/C(C(N[C@@H]([C@@H](C)O)C(N[C@H](CCC4=CC=CC=C4)C(N5[C@@H](CCC5)C(NC(CC(OC([C@H](CC(C)C)N(C)C(C)=O)=O)CC(O)CC6=CC=CC=C6)C1O)=O)=O)=O)=O)=C/C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C72H105N13O19/c1-9-41(5)59-67(98)79-52(39-86)64(95)75-48(10-2)63(94)81-60(42(6)87)68(99)77-50(28-27-44-20-13-11-14-21-44)70(101)84-32-17-24-53(84)65(96)78-51(37-47(36-46(89)35-45-22-15-12-16-23-45)104-72(103)56(34-40(3)4)82(8)43(7)88)61(92)69(100)76-49(29-30-57(73)90)62(93)74-38-58(91)83-31-19-26-55(83)71(102)85-33-18-25-54(85)66(97)80-59/h10-16,20-23,40-42,46-47,49-56,59-61,86-87,89,92H,9,17-19,24-39H2,1-8H3,(H2,73,90)(H,74,93)(H,75,95)(H,76,100)(H,77,99)(H,78,96)(H,79,98)(H,80,97)(H,81,94)/b48-10+/t41-,42+,46?,47?,49+,50+,51?,52-,53-,54-,55-,56-,59+,60-,61?/m0/s1
+CH$LINK: PUBCHEM CID:155802199
+CH$LINK: INCHIKEY MTUBMTPWQGVXCG-UDDZTRNDSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 100-1500
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.748 min
+MS$FOCUSED_ION: BASE_PEAK 1454.7573
+MS$FOCUSED_ION: PRECURSOR_M/Z 1454.7577
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 701039342
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0w2c-0900000000-44ab6c0fc7117396ee2e
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  107.0237 C3HN5- 1 107.0237 -0.81
+  108.0077 C3N4O- 1 108.0078 -0.3
+  108.0317 C3H2N5- 1 108.0316 1.13
+  108.0438 C4H4N4- 1 108.0441 -2.85
+  109.0394 C3H3N5- 1 109.0394 -0.39
+  110.0234 C3H2N4O- 1 110.0234 -0.21
+  110.0598 C4H6N4- 1 110.0598 0.34
+  111.0187 C2HN5O- 1 111.0187 0
+  111.0439 C4H5N3O- 1 111.0438 1.12
+  111.055 C3H5N5- 1 111.055 -0.08
+  112.0269 C2H2N5O- 1 112.0265 3.86
+  112.0389 C3H4N4O- 1 112.0391 -1.54
+  112.0505 C2H4N6- 1 112.0503 1.9
+  113.0343 C2H3N5O- 1 113.0343 -0.28
+  113.0706 C3H7N5- 1 113.0707 -0.5
+  114.0547 C3H6N4O- 1 114.0547 -0.29
+  119.0486 C6H5N3- 1 119.0489 -2.14
+  120.019 C3N6- 1 120.019 0.44
+  121.0394 C4H3N5- 1 121.0394 0.11
+  122.0234 C4H2N4O- 1 122.0234 0.29
+  122.0474 C4H4N5- 1 122.0472 1.62
+  122.0598 C5H6N4- 1 122.0598 0.41
+  123.0186 C3HN5O- 1 123.0187 -0.17
+  123.055 C4H5N5- 1 123.055 -0.55
+  124.0269 C3H2N5O- 1 124.0265 3.42
+  124.0391 C4H4N4O- 1 124.0391 0.07
+  125.0343 C3H3N5O- 1 125.0343 -0.26
+  125.0705 C4H7N5- 1 125.0707 -1.73
+  126.0547 C4H6N4O- 1 126.0547 0.1
+  127.05 C3H5N5O- 1 127.05 0
+  128.0341 C3H4N4O2- 1 128.034 0.61
+  129.102 C4H11N5- 1 129.102 0.22
+  130.0627 C4H8N3O2- 1 130.0622 3.91
+  133.0393 C5H3N5- 1 133.0394 -0.66
+  134.0346 C4H2N6- 1 134.0346 -0.3
+  135.0188 C4HN5O- 1 135.0187 0.85
+  135.055 C5H5N5- 1 135.055 -0.12
+  136.039 C5H4N4O- 1 136.0391 -0.56
+  136.05 C4H4N6- 1 136.0503 -2.04
+  137.0344 C4H3N5O- 1 137.0343 0.65
+  137.0708 C5H7N5- 1 137.0707 0.92
+  138.0548 C5H6N4O- 1 138.0547 0.57
+  138.066 C4H6N6- 1 138.0659 0.66
+  139.0499 C4H5N5O- 1 139.05 -0.12
+  139.0863 C5H9N5- 1 139.0863 -0.62
+  140.0818 C4H8N6- 1 140.0816 1.43
+  141.0657 C4H7N5O- 1 141.0656 0.33
+  144.1017 C5H12N4O- 1 144.1017 0.06
+  147.0549 C6H5N5- 1 147.055 -1.31
+  148.0503 C5H4N6- 1 148.0503 0
+  149.0344 C5H3N5O- 1 149.0343 0.8
+  149.0707 C6H7N5- 1 149.0707 0.12
+  150.0544 C6H6N4O- 1 150.0547 -1.84
+  150.0661 C5H6N6- 1 150.0659 0.79
+  151.0138 C4HN5O2- 1 151.0136 1.22
+  151.0499 C5H5N5O- 1 151.05 -0.25
+  151.0739 C5H7N6- 1 151.0738 0.62
+  151.0865 C6H9N5- 1 151.0863 0.8
+  152.0587 C7H8N2O2- 1 152.0591 -2.52
+  152.0814 C5H8N6- 1 152.0816 -1.16
+  153.0656 C5H7N5O- 1 153.0656 -0.28
+  155.0812 C5H9N5O- 1 155.0813 -0.59
+  163.0373 C5H3N6O- 1 163.0374 -0.7
+  163.05 C6H5N5O- 1 163.05 0.31
+  164.082 C6H8N6- 1 164.0816 2.46
+  165.0655 C6H7N5O- 1 165.0656 -0.44
+  165.1019 C7H11N5- 1 165.102 -0.31
+  166.0613 C5H6N6O- 1 166.0609 2.48
+  167.0447 C5H5N5O2- 1 167.0449 -1.21
+  167.0818 C8H11N2O2- 2 167.0826 -4.91
+  168.0758 C5H8N6O- 3 168.0765 -4.28
+  170.0921 C5H10N6O- 1 170.0922 -0.29
+  176.0453 C6H4N6O- 1 176.0452 0.26
+  177.1016 C8H11N5- 1 177.102 -2.19
+  178.061 C6H6N6O- 1 178.0609 0.74
+  178.084 C5H12N3O4- 3 178.0833 3.51
+  179.0448 C6H5N5O2- 1 179.0449 -0.48
+  179.1171 C8H13N5- 2 179.1176 -3.22
+  181.1332 C8H15N5- 1 181.1333 -0.44
+  189.1019 C9H11N5- 1 189.102 -0.66
+  190.0609 C7H6N6O- 1 190.0609 0.15
+  192.0763 C7H8N6O- 1 192.0765 -1.25
+  199.0865 C10H9N5- 1 199.0863 0.58
+  208.1441 C9H16N6- 1 208.1442 -0.45
+  209.1282 C9H15N5O- 1 209.1282 -0.04
+  210.0865 C7H10N6O2- 3 210.0871 -2.67
+  226.1544 C9H18N6O- 3 226.1548 -1.55
+  264.0972 C10H12N6O3- 3 264.0976 -1.81
+  281.1236 C10H15N7O3- 4 281.1242 -2
+PK$NUM_PEAK: 89
+PK$PEAK: m/z int. rel.int.
+  107.0237 825125.4 13
+  108.0077 1918772.2 30
+  108.0317 2089585.8 32
+  108.0438 1747857.4 27
+  109.0394 4480911 70
+  110.0234 2307450 36
+  110.0598 1456711.8 22
+  111.0187 3871804.5 61
+  111.0439 847040.9 13
+  111.055 9390945 148
+  112.0269 837637.9 13
+  112.0389 1330255.8 20
+  112.0505 1100154.6 17
+  113.0343 3953807 62
+  113.0706 24208600 381
+  114.0547 2432572.2 38
+  119.0486 992936.4 15
+  120.019 1359908.2 21
+  121.0394 9129563 143
+  122.0234 937210.2 14
+  122.0474 970786.8 15
+  122.0598 910470.2 14
+  123.0186 1201820.2 18
+  123.055 6732103 106
+  124.0269 980263.1 15
+  124.0391 5835363.5 91
+  125.0343 15802988 249
+  125.0705 2249267.8 35
+  126.0547 668614.4 10
+  127.05 11197595 176
+  128.0341 2280507 35
+  129.102 4356875.5 68
+  130.0627 921891.1 14
+  133.0393 830837.9 13
+  134.0346 751899.4 11
+  135.0188 1983607.6 31
+  135.055 3744432.8 59
+  136.039 1493408.8 23
+  136.05 706444.4 11
+  137.0344 1537711.5 24
+  137.0708 1839484.2 28
+  138.0548 2706011.8 42
+  138.066 4353756.5 68
+  139.0499 10160651 160
+  139.0863 2764148.5 43
+  140.0818 670720.2 10
+  141.0657 1419465 22
+  144.1017 39371688 620
+  147.0549 1195365.8 18
+  148.0503 978709.4 15
+  149.0344 911349.7 14
+  149.0707 1276607.1 20
+  150.0544 685750.6 10
+  150.0661 691172.6 10
+  151.0138 950208.4 14
+  151.0499 2807772.5 44
+  151.0739 1234320.1 19
+  151.0865 1478277.8 23
+  152.0587 687645.8 10
+  152.0814 2508869 39
+  153.0656 63384764 999
+  155.0812 2553572.2 40
+  163.0373 1803755.2 28
+  163.05 5351870.5 84
+  164.082 709878.8 11
+  165.0655 3356977.2 52
+  165.1019 786755.1 12
+  166.0613 803100.6 12
+  167.0447 926350.1 14
+  167.0818 746963 11
+  168.0758 1087919.9 17
+  170.0921 2154054 33
+  176.0453 1626405.5 25
+  177.1016 708910.1 11
+  178.061 2610338.8 41
+  178.084 678923.4 10
+  179.0448 4506196.5 71
+  179.1171 802837.9 12
+  181.1332 3183060.8 50
+  189.1019 876518.6 13
+  190.0609 790328.8 12
+  192.0763 726449.4 11
+  199.0865 1001958.3 15
+  208.1441 1950929.6 30
+  209.1282 1948934.8 30
+  210.0865 3162128.5 49
+  226.1544 4546028.5 71
+  264.0972 688993.4 10
+  281.1236 891702.6 14
+//
diff --git a/Eawag/MSBNK-MLU-ED032601.txt b/Eawag/MSBNK-MLU-ED032601.txt
new file mode 100644
index 0000000000..7b99eacd15
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED032601.txt
@@ -0,0 +1,54 @@
+ACCESSION: MSBNK-MLU-ED032601
+RECORD_TITLE: Lyngbyazothrin D; LC-ESI-QFT; MS2; CE: 15%; R=17500; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], E. N. Zainuddin [dtc], S. Mundt [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 326
+CH$NAME: Lyngbyazothrin D
+CH$NAME: [1-[(3S,12S,19S,28S,31E,34S,37R,40S)-12-(3-amino-3-oxopropyl)-37-[(2S)-butan-2-yl]-31-ethylidene-15-hydroxy-28-[(1R)-1-hydroxyethyl]-34-(hydroxymethyl)-2,8,11,14,18,24,27,30,33,36,39-undecaoxo-25-(2-phenylethyl)-1,7,10,13,17,23,26,29,32,35,38-undecazatetracyclo[38.3.0.03,7.019,23]tritetracontan-16-yl]-4,5-dihydroxy-7-methyloctan-2-yl] 2-[acetyl(methyl)amino]-3-(4-hydroxyphenyl)propanoate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C73H107N13O21
+CH$EXACT_MASS: 1501.770447
+CH$SMILES: CC[C@H](C)[C@@H]1C(=O)N[C@H](C(=O)N/C(=C/C)/C(=O)N[C@H](C(=O)NC(C(=O)N2CCC[C@H]2C(=O)NC(C(C(=O)N[C@H](C(=O)NCC(=O)N3CCC[C@H]3C(=O)N4CCC[C@H]4C(=O)N1)CCC(=O)N)O)CC(CC(C(CC(C)C)O)O)OC(=O)C(CC5=CC=C(C=C5)O)N(C)C(=O)C)CCC6=CC=CC=C6)[C@@H](C)O)CO
+CH$IUPAC: InChI=1S/C73H107N13O21/c1-9-40(5)60-68(101)80-51(38-87)65(98)76-47(10-2)64(97)82-61(41(6)88)69(102)78-49(27-24-43-17-12-11-13-18-43)71(104)85-31-14-19-52(85)66(99)79-50(35-46(36-57(92)56(91)33-39(3)4)107-73(106)55(83(8)42(7)89)34-44-22-25-45(90)26-23-44)62(95)70(103)77-48(28-29-58(74)93)63(96)75-37-59(94)84-30-16-21-54(84)72(105)86-32-15-20-53(86)67(100)81-60/h10-13,17-18,22-23,25-26,39-41,46,48-57,60-62,87-88,90-92,95H,9,14-16,19-21,24,27-38H2,1-8H3,(H2,74,93)(H,75,96)(H,76,98)(H,77,103)(H,78,102)(H,79,99)(H,80,101)(H,81,100)(H,82,97)/b47-10+/t40-,41+,46?,48-,49?,50?,51-,52-,53-,54-,55?,56?,57?,60+,61-,62?/m0/s1
+CH$LINK: PUBCHEM CID:44254511
+CH$LINK: INCHIKEY XCGGFKXEWPNQFS-CRPGRYFWSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 103-1550
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.141 min
+MS$FOCUSED_ION: BASE_PEAK 766.8982
+MS$FOCUSED_ION: PRECURSOR_M/Z 1502.7777
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 18972852
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0udi-0000190000-24f95d05333d6ca51bdc
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  220.0968 C12H14NO3+ 1 220.0968 -0.14
+  1283.6868 C73H91N10O11+ 15 1283.6863 0.36
+  1467.7415 C73H103N12O20+ 1 1467.7406 0.63
+  1484.7675 C73H106N13O20+ 1 1484.7672 0.24
+  1485.7494 C73H105N12O21+ 1 1485.7512 -1.17
+  1502.776 C73H108N13O21+ 1 1502.7777 -1.13
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  220.0968 1129334.2 26
+  1283.6868 2371953.5 56
+  1467.7415 843548.8 20
+  1484.7675 6095917 145
+  1485.7494 1722356.9 41
+  1502.776 41834244 999
+//
diff --git a/Eawag/MSBNK-MLU-ED032602.txt b/Eawag/MSBNK-MLU-ED032602.txt
new file mode 100644
index 0000000000..8b7ef2a096
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED032602.txt
@@ -0,0 +1,82 @@
+ACCESSION: MSBNK-MLU-ED032602
+RECORD_TITLE: Lyngbyazothrin D; LC-ESI-QFT; MS2; CE: 20%; R=17500; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], E. N. Zainuddin [dtc], S. Mundt [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 326
+CH$NAME: Lyngbyazothrin D
+CH$NAME: [1-[(3S,12S,19S,28S,31E,34S,37R,40S)-12-(3-amino-3-oxopropyl)-37-[(2S)-butan-2-yl]-31-ethylidene-15-hydroxy-28-[(1R)-1-hydroxyethyl]-34-(hydroxymethyl)-2,8,11,14,18,24,27,30,33,36,39-undecaoxo-25-(2-phenylethyl)-1,7,10,13,17,23,26,29,32,35,38-undecazatetracyclo[38.3.0.03,7.019,23]tritetracontan-16-yl]-4,5-dihydroxy-7-methyloctan-2-yl] 2-[acetyl(methyl)amino]-3-(4-hydroxyphenyl)propanoate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C73H107N13O21
+CH$EXACT_MASS: 1501.770447
+CH$SMILES: CC[C@H](C)[C@@H]1C(=O)N[C@H](C(=O)N/C(=C/C)/C(=O)N[C@H](C(=O)NC(C(=O)N2CCC[C@H]2C(=O)NC(C(C(=O)N[C@H](C(=O)NCC(=O)N3CCC[C@H]3C(=O)N4CCC[C@H]4C(=O)N1)CCC(=O)N)O)CC(CC(C(CC(C)C)O)O)OC(=O)C(CC5=CC=C(C=C5)O)N(C)C(=O)C)CCC6=CC=CC=C6)[C@@H](C)O)CO
+CH$IUPAC: InChI=1S/C73H107N13O21/c1-9-40(5)60-68(101)80-51(38-87)65(98)76-47(10-2)64(97)82-61(41(6)88)69(102)78-49(27-24-43-17-12-11-13-18-43)71(104)85-31-14-19-52(85)66(99)79-50(35-46(36-57(92)56(91)33-39(3)4)107-73(106)55(83(8)42(7)89)34-44-22-25-45(90)26-23-44)62(95)70(103)77-48(28-29-58(74)93)63(96)75-37-59(94)84-30-16-21-54(84)72(105)86-32-15-20-53(86)67(100)81-60/h10-13,17-18,22-23,25-26,39-41,46,48-57,60-62,87-88,90-92,95H,9,14-16,19-21,24,27-38H2,1-8H3,(H2,74,93)(H,75,96)(H,76,98)(H,77,103)(H,78,102)(H,79,99)(H,80,101)(H,81,100)(H,82,97)/b47-10+/t40-,41+,46?,48-,49?,50?,51-,52-,53-,54-,55?,56?,57?,60+,61-,62?/m0/s1
+CH$LINK: PUBCHEM CID:44254511
+CH$LINK: INCHIKEY XCGGFKXEWPNQFS-CRPGRYFWSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 103-1550
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.141 min
+MS$FOCUSED_ION: BASE_PEAK 766.8982
+MS$FOCUSED_ION: PRECURSOR_M/Z 1502.7777
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 18972852
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0udi-0171490000-7a934fba5ec90306bef7
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  150.0913 C9H12NO+ 1 150.0913 -0.6
+  164.9776 C2HN2O7+ 1 164.9778 -1.26
+  192.1017 C11H14NO2+ 1 192.1019 -0.99
+  220.0968 C12H14NO3+ 1 220.0968 -0.28
+  367.2336 C18H31N4O4+ 11 367.234 -0.96
+  377.2183 C19H29N4O4+ 11 377.2183 -0.06
+  395.2288 C18H25N11+ 12 395.2289 -0.3
+  452.2502 C20H28N12O+ 15 452.2504 -0.45
+  478.2659 C22H30N12O+ 15 478.266 -0.15
+  1222.6341 C72H80N13O6+ 21 1222.6349 -0.65
+  1230.6394 C60H92N7O20+ 20 1230.6392 0.16
+  1265.6768 C60H97N8O21+ 17 1265.6763 0.42
+  1283.6863 C73H91N10O11+ 15 1283.6863 -0.02
+  1456.7711 C72H106N13O19+ 1 1456.7722 -0.8
+  1466.7553 C73H104N13O19+ 1 1466.7566 -0.87
+  1467.7379 C73H103N12O20+ 1 1467.7406 -1.87
+  1474.7828 C72H108N13O20+ 1 1474.7828 -0.02
+  1484.7664 C73H106N13O20+ 1 1484.7672 -0.5
+  1485.7483 C73H105N12O21+ 1 1485.7512 -1.91
+  1502.7764 C73H108N13O21+ 1 1502.7777 -0.88
+PK$NUM_PEAK: 20
+PK$PEAK: m/z int. rel.int.
+  150.0913 529866.3 32
+  164.9776 289917.8 18
+  192.1017 1490741.1 92
+  220.0968 3400382.5 211
+  367.2336 237262.5 14
+  377.2183 387456.2 24
+  395.2288 1352002.1 83
+  452.2502 260580.5 16
+  478.2659 333648 20
+  1222.6341 270627.1 16
+  1230.6394 559189 34
+  1265.6768 7132390.5 443
+  1283.6863 1393578 86
+  1456.7711 223294 13
+  1466.7553 824218.4 51
+  1467.7379 481687.2 29
+  1474.7828 899188.6 55
+  1484.7664 4849604 301
+  1485.7483 776147.2 48
+  1502.7764 16081534 999
+//
diff --git a/Eawag/MSBNK-MLU-ED032603.txt b/Eawag/MSBNK-MLU-ED032603.txt
new file mode 100644
index 0000000000..422855d072
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED032603.txt
@@ -0,0 +1,120 @@
+ACCESSION: MSBNK-MLU-ED032603
+RECORD_TITLE: Lyngbyazothrin D; LC-ESI-QFT; MS2; CE: 25%; R=17500; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], E. N. Zainuddin [dtc], S. Mundt [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 326
+CH$NAME: Lyngbyazothrin D
+CH$NAME: [1-[(3S,12S,19S,28S,31E,34S,37R,40S)-12-(3-amino-3-oxopropyl)-37-[(2S)-butan-2-yl]-31-ethylidene-15-hydroxy-28-[(1R)-1-hydroxyethyl]-34-(hydroxymethyl)-2,8,11,14,18,24,27,30,33,36,39-undecaoxo-25-(2-phenylethyl)-1,7,10,13,17,23,26,29,32,35,38-undecazatetracyclo[38.3.0.03,7.019,23]tritetracontan-16-yl]-4,5-dihydroxy-7-methyloctan-2-yl] 2-[acetyl(methyl)amino]-3-(4-hydroxyphenyl)propanoate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C73H107N13O21
+CH$EXACT_MASS: 1501.770447
+CH$SMILES: CC[C@H](C)[C@@H]1C(=O)N[C@H](C(=O)N/C(=C/C)/C(=O)N[C@H](C(=O)NC(C(=O)N2CCC[C@H]2C(=O)NC(C(C(=O)N[C@H](C(=O)NCC(=O)N3CCC[C@H]3C(=O)N4CCC[C@H]4C(=O)N1)CCC(=O)N)O)CC(CC(C(CC(C)C)O)O)OC(=O)C(CC5=CC=C(C=C5)O)N(C)C(=O)C)CCC6=CC=CC=C6)[C@@H](C)O)CO
+CH$IUPAC: InChI=1S/C73H107N13O21/c1-9-40(5)60-68(101)80-51(38-87)65(98)76-47(10-2)64(97)82-61(41(6)88)69(102)78-49(27-24-43-17-12-11-13-18-43)71(104)85-31-14-19-52(85)66(99)79-50(35-46(36-57(92)56(91)33-39(3)4)107-73(106)55(83(8)42(7)89)34-44-22-25-45(90)26-23-44)62(95)70(103)77-48(28-29-58(74)93)63(96)75-37-59(94)84-30-16-21-54(84)72(105)86-32-15-20-53(86)67(100)81-60/h10-13,17-18,22-23,25-26,39-41,46,48-57,60-62,87-88,90-92,95H,9,14-16,19-21,24,27-38H2,1-8H3,(H2,74,93)(H,75,96)(H,76,98)(H,77,103)(H,78,102)(H,79,99)(H,80,101)(H,81,100)(H,82,97)/b47-10+/t40-,41+,46?,48-,49?,50?,51-,52-,53-,54-,55?,56?,57?,60+,61-,62?/m0/s1
+CH$LINK: PUBCHEM CID:44254511
+CH$LINK: INCHIKEY XCGGFKXEWPNQFS-CRPGRYFWSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 103-1550
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.141 min
+MS$FOCUSED_ION: BASE_PEAK 766.8982
+MS$FOCUSED_ION: PRECURSOR_M/Z 1502.7777
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 18972852
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0g4l-0594620000-125b40575dc2a8209646
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  115.0865 C5H11N2O+ 1 115.0866 -0.9
+  127.0865 C6H11N2O+ 1 127.0866 -1.09
+  150.0912 C9H12NO+ 1 150.0913 -0.8
+  155.0812 C7H11N2O2+ 1 155.0815 -1.88
+  164.9779 C2HN2O7+ 1 164.9778 0.59
+  167.1177 C9H15N2O+ 1 167.1179 -0.93
+  183.1489 C10H19N2O+ 1 183.1492 -1.66
+  192.1018 C11H14NO2+ 1 192.1019 -0.75
+  195.1124 C10H15N2O2+ 2 195.1128 -2.05
+  211.1438 C11H19N2O2+ 2 211.1441 -1.52
+  212.1394 C10H18N3O2+ 1 212.1394 0.4
+  220.0968 C12H14NO3+ 1 220.0968 0
+  252.134 C12H18N3O3+ 2 252.1343 -1.25
+  298.1762 C14H24N3O4+ 6 298.1761 0.33
+  308.197 C16H26N3O3+ 7 308.1969 0.33
+  313.2121 C16H29N2O4+ 7 313.2122 -0.31
+  325.2236 C16H29N4O3+ 8 325.2234 0.51
+  328.1662 C3H28N4O13+ 8 328.1647 4.41
+  358.2335 C16H26N10+ 9 358.2336 -0.37
+  365.2179 C18H29N4O4+ 11 365.2183 -1.06
+  367.234 C18H31N4O4+ 11 367.234 0.12
+  377.2182 C19H29N4O4+ 9 377.2183 -0.39
+  395.2289 C19H31N4O5+ 12 395.2289 0.07
+  452.2503 C20H28N12O+ 15 452.2504 -0.11
+  460.2557 C23H34N5O5+ 12 460.2554 0.5
+  469.2659 C22H37N4O7+ 13 469.2657 0.42
+  478.266 C23H36N5O6+ 15 478.266 0.03
+  508.2768 C9H44N6O17+ 17 508.2757 2.16
+  526.2875 C24H40N5O8+ 17 526.2871 0.69
+  1222.633 C72H80N13O6+ 19 1222.6349 -1.54
+  1230.639 C60H92N7O20+ 20 1230.6392 -0.14
+  1240.6459 C59H90N11O18+ 20 1240.646 -0.03
+  1265.6769 C60H97N8O21+ 17 1265.6763 0.51
+  1456.7724 C72H106N13O19+ 1 1456.7722 0.13
+  1466.7543 C73H104N13O19+ 1 1466.7566 -1.53
+  1467.7412 C73H103N12O20+ 1 1467.7406 0.38
+  1474.7824 C72H108N13O20+ 1 1474.7828 -0.27
+  1484.7675 C73H106N13O20+ 1 1484.7672 0.24
+  1502.7768 C73H108N13O21+ 1 1502.7777 -0.64
+PK$NUM_PEAK: 39
+PK$PEAK: m/z int. rel.int.
+  115.0865 239831.8 50
+  127.0865 82826.8 17
+  150.0912 1709663 362
+  155.0812 171130.3 36
+  164.9779 61414.5 13
+  167.1177 48157.2 10
+  183.1489 89625.5 19
+  192.1018 3879733 822
+  195.1124 49844.4 10
+  211.1438 63041.5 13
+  212.1394 60301.1 12
+  220.0968 4709484 999
+  252.134 131724.6 27
+  298.1762 156811.5 33
+  308.197 431336.7 91
+  313.2121 629356.4 133
+  325.2236 158072.7 33
+  328.1662 100674.8 21
+  358.2335 350076.4 74
+  365.2179 293673.2 62
+  367.234 367205.3 77
+  377.2182 652491.1 138
+  395.2289 1957950.6 415
+  452.2503 425259 90
+  460.2557 452127.8 95
+  469.2659 1499646.9 318
+  478.266 1351921.2 286
+  508.2768 166480.8 35
+  526.2875 727176 154
+  1222.633 656761.2 139
+  1230.639 234951.2 49
+  1240.6459 1102319.9 233
+  1265.6769 2407977.5 510
+  1456.7724 331536.1 70
+  1466.7543 299708.3 63
+  1467.7412 105666.1 22
+  1474.7824 1178184.9 249
+  1484.7675 1161052.2 246
+  1502.7768 2137584.2 453
+//
diff --git a/Eawag/MSBNK-MLU-ED032604.txt b/Eawag/MSBNK-MLU-ED032604.txt
new file mode 100644
index 0000000000..cc3bf4a989
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED032604.txt
@@ -0,0 +1,172 @@
+ACCESSION: MSBNK-MLU-ED032604
+RECORD_TITLE: Lyngbyazothrin D; LC-ESI-QFT; MS2; CE: 30%; R=17500; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], E. N. Zainuddin [dtc], S. Mundt [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 326
+CH$NAME: Lyngbyazothrin D
+CH$NAME: [1-[(3S,12S,19S,28S,31E,34S,37R,40S)-12-(3-amino-3-oxopropyl)-37-[(2S)-butan-2-yl]-31-ethylidene-15-hydroxy-28-[(1R)-1-hydroxyethyl]-34-(hydroxymethyl)-2,8,11,14,18,24,27,30,33,36,39-undecaoxo-25-(2-phenylethyl)-1,7,10,13,17,23,26,29,32,35,38-undecazatetracyclo[38.3.0.03,7.019,23]tritetracontan-16-yl]-4,5-dihydroxy-7-methyloctan-2-yl] 2-[acetyl(methyl)amino]-3-(4-hydroxyphenyl)propanoate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C73H107N13O21
+CH$EXACT_MASS: 1501.770447
+CH$SMILES: CC[C@H](C)[C@@H]1C(=O)N[C@H](C(=O)N/C(=C/C)/C(=O)N[C@H](C(=O)NC(C(=O)N2CCC[C@H]2C(=O)NC(C(C(=O)N[C@H](C(=O)NCC(=O)N3CCC[C@H]3C(=O)N4CCC[C@H]4C(=O)N1)CCC(=O)N)O)CC(CC(C(CC(C)C)O)O)OC(=O)C(CC5=CC=C(C=C5)O)N(C)C(=O)C)CCC6=CC=CC=C6)[C@@H](C)O)CO
+CH$IUPAC: InChI=1S/C73H107N13O21/c1-9-40(5)60-68(101)80-51(38-87)65(98)76-47(10-2)64(97)82-61(41(6)88)69(102)78-49(27-24-43-17-12-11-13-18-43)71(104)85-31-14-19-52(85)66(99)79-50(35-46(36-57(92)56(91)33-39(3)4)107-73(106)55(83(8)42(7)89)34-44-22-25-45(90)26-23-44)62(95)70(103)77-48(28-29-58(74)93)63(96)75-37-59(94)84-30-16-21-54(84)72(105)86-32-15-20-53(86)67(100)81-60/h10-13,17-18,22-23,25-26,39-41,46,48-57,60-62,87-88,90-92,95H,9,14-16,19-21,24,27-38H2,1-8H3,(H2,74,93)(H,75,96)(H,76,98)(H,77,103)(H,78,102)(H,79,99)(H,80,101)(H,81,100)(H,82,97)/b47-10+/t40-,41+,46?,48-,49?,50?,51-,52-,53-,54-,55?,56?,57?,60+,61-,62?/m0/s1
+CH$LINK: PUBCHEM CID:44254511
+CH$LINK: INCHIKEY XCGGFKXEWPNQFS-CRPGRYFWSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 103-1550
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.141 min
+MS$FOCUSED_ION: BASE_PEAK 766.8982
+MS$FOCUSED_ION: PRECURSOR_M/Z 1502.7777
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 18972852
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0fdo-0953200000-d9daea83404520afa62f
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  107.0492 C7H7O+ 1 107.0491 0.76
+  112.0755 C6H10NO+ 1 112.0757 -1.92
+  115.0865 C5H11N2O+ 1 115.0866 -0.44
+  116.0706 C5H10NO2+ 1 116.0706 -0.28
+  117.0698 C9H9+ 1 117.0699 -1.07
+  126.0547 C6H8NO2+ 1 126.055 -1.63
+  126.0914 C7H12NO+ 1 126.0913 0.49
+  127.0865 C6H11N2O+ 1 127.0866 -0.31
+  134.0962 C9H12N+ 1 134.0964 -1.76
+  135.0676 C8H9NO+ 1 135.0679 -2.02
+  138.1276 C9H16N+ 1 138.1277 -0.56
+  150.0913 C9H12NO+ 1 150.0913 -0.6
+  153.1016 C8H13N2O+ 2 153.1022 -4.14
+  155.0814 C7H11N2O2+ 1 155.0815 -0.89
+  163.1114 C11H15O+ 1 163.1117 -2.38
+  167.1175 C9H15N2O+ 1 167.1179 -2.39
+  168.138 C10H18NO+ 1 168.1383 -1.44
+  181.0974 C9H13N2O2+ 1 181.0972 1.35
+  183.1492 C10H19N2O+ 1 183.1492 -0.07
+  185.0921 C8H13N2O3+ 1 185.0921 0.07
+  186.1277 C13H16N+ 1 186.1277 0.1
+  190.1227 C12H16NO+ 1 190.1226 0.27
+  192.1018 C11H14NO2+ 1 192.1019 -0.35
+  195.1129 C10H15N2O2+ 1 195.1128 0.53
+  198.149 C11H20NO2+ 1 198.1489 0.6
+  201.1234 C9H17N2O3+ 1 201.1234 0.35
+  208.1334 C12H18NO2+ 1 208.1332 0.7
+  211.144 C11H19N2O2+ 1 211.1441 -0.51
+  212.1397 C10H18N3O2+ 2 212.1394 1.41
+  220.0968 C12H14NO3+ 1 220.0968 0.07
+  226.1436 C12H20NO3+ 1 226.1438 -0.71
+  235.1441 C13H19N2O2+ 2 235.1441 -0.01
+  244.1544 C12H22NO4+ 1 244.1543 0.15
+  245.1277 C12H15N5O+ 2 245.1271 2.23
+  249.1961 C15H25N2O+ 4 249.1961 -0.25
+  252.1342 C12H18N3O3+ 2 252.1343 -0.34
+  254.114 C11H16N3O4+ 3 254.1135 1.72
+  259.1438 C15H19N2O2+ 5 259.1441 -1.28
+  263.1389 C14H19N2O3+ 4 263.139 -0.56
+  266.1133 C12H16N3O4+ 2 266.1135 -0.96
+  270.1812 C13H24N3O3+ 3 270.1812 -0.09
+  272.1239 C10H12N10+ 3 272.1241 -0.53
+  280.1655 H24N8O9+ 5 280.1661 -1.93
+  280.2016 C15H26N3O2+ 5 280.202 -1.34
+  295.2016 C16H27N2O3+ 6 295.2016 -0.02
+  298.1762 C14H24N3O4+ 6 298.1761 0.33
+  308.1969 C16H26N3O3+ 7 308.1969 0.13
+  325.2235 C16H29N4O3+ 8 325.2234 0.14
+  328.1657 C3H28N4O13+ 7 328.1647 3.02
+  340.2231 C17H30N3O4+ 8 340.2231 -0.06
+  346.1759 C18H24N3O4+ 8 346.1761 -0.53
+  363.2023 C4H29N9O10+ 11 363.2032 -2.48
+  365.2182 C18H29N4O4+ 9 365.2183 -0.39
+  367.2337 C18H31N4O4+ 9 367.234 -0.71
+  372.2131 C17H30N3O6+ 12 372.2129 0.48
+  377.218 C19H29N4O4+ 11 377.2183 -0.79
+  381.2133 C18H29N4O5+ 12 381.2132 0.15
+  395.2289 C19H31N4O5+ 12 395.2289 0.07
+  460.2556 C23H34N5O5+ 14 460.2554 0.24
+  469.2658 C22H37N4O7+ 15 469.2657 0.35
+  478.2661 C23H36N5O6+ 15 478.266 0.29
+  508.2766 C9H44N6O17+ 16 508.2757 1.62
+  526.2873 C24H40N5O8+ 17 526.2871 0.23
+  595.3387 C46H43+ 19 595.3359 4.62
+  740.3961 C49H50N5O2+ 23 740.3959 0.3
+PK$NUM_PEAK: 65
+PK$PEAK: m/z int. rel.int.
+  107.0492 42590 11
+  112.0755 46941.1 12
+  115.0865 380289 98
+  116.0706 72321.7 18
+  117.0698 40729.5 10
+  126.0547 114260.6 29
+  126.0914 45174.6 11
+  127.0865 312930.4 81
+  134.0962 239401.7 62
+  135.0676 64822 16
+  138.1276 43527.3 11
+  150.0913 2332351.2 604
+  153.1016 57053.2 14
+  155.0814 503538.3 130
+  163.1114 50814 13
+  167.1175 131294.8 34
+  168.138 79235.2 20
+  181.0974 63435.2 16
+  183.1492 364074.4 94
+  185.0921 60862.4 15
+  186.1277 197313.8 51
+  190.1227 39522.2 10
+  192.1018 3855019.8 999
+  195.1129 151086.4 39
+  198.149 52270.1 13
+  201.1234 46418.7 12
+  208.1334 52225.4 13
+  211.144 278424.4 72
+  212.1397 120482.1 31
+  220.0968 2329727.5 603
+  226.1436 86033.4 22
+  235.1441 165490.2 42
+  244.1544 47937.9 12
+  245.1277 40341.6 10
+  249.1961 41017.7 10
+  252.1342 342801.8 88
+  254.114 106996.9 27
+  259.1438 56237.6 14
+  263.1389 195351 50
+  266.1133 197452.2 51
+  270.1812 62306 16
+  272.1239 71170.3 18
+  280.1655 140750.9 36
+  280.2016 368856.2 95
+  295.2016 363449.5 94
+  298.1762 348925.4 90
+  308.1969 646763.9 167
+  325.2235 150302.2 38
+  328.1657 139804.5 36
+  340.2231 142656.2 36
+  346.1759 83607.2 21
+  363.2023 212991.3 55
+  365.2182 311077.2 80
+  367.2337 259276 67
+  372.2131 179511.2 46
+  377.218 481757.7 124
+  381.2133 255518.6 66
+  395.2289 1132917.2 293
+  460.2556 548714.8 142
+  469.2658 940431.4 243
+  478.2661 1159407.9 300
+  508.2766 189861.7 49
+  526.2873 465932.7 120
+  595.3387 108172.8 28
+  740.3961 219333.9 56
+//
diff --git a/Eawag/MSBNK-MLU-ED032605.txt b/Eawag/MSBNK-MLU-ED032605.txt
new file mode 100644
index 0000000000..cd195e5acc
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED032605.txt
@@ -0,0 +1,216 @@
+ACCESSION: MSBNK-MLU-ED032605
+RECORD_TITLE: Lyngbyazothrin D; LC-ESI-QFT; MS2; CE: 40%; R=17500; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], E. N. Zainuddin [dtc], S. Mundt [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 326
+CH$NAME: Lyngbyazothrin D
+CH$NAME: [1-[(3S,12S,19S,28S,31E,34S,37R,40S)-12-(3-amino-3-oxopropyl)-37-[(2S)-butan-2-yl]-31-ethylidene-15-hydroxy-28-[(1R)-1-hydroxyethyl]-34-(hydroxymethyl)-2,8,11,14,18,24,27,30,33,36,39-undecaoxo-25-(2-phenylethyl)-1,7,10,13,17,23,26,29,32,35,38-undecazatetracyclo[38.3.0.03,7.019,23]tritetracontan-16-yl]-4,5-dihydroxy-7-methyloctan-2-yl] 2-[acetyl(methyl)amino]-3-(4-hydroxyphenyl)propanoate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C73H107N13O21
+CH$EXACT_MASS: 1501.770447
+CH$SMILES: CC[C@H](C)[C@@H]1C(=O)N[C@H](C(=O)N/C(=C/C)/C(=O)N[C@H](C(=O)NC(C(=O)N2CCC[C@H]2C(=O)NC(C(C(=O)N[C@H](C(=O)NCC(=O)N3CCC[C@H]3C(=O)N4CCC[C@H]4C(=O)N1)CCC(=O)N)O)CC(CC(C(CC(C)C)O)O)OC(=O)C(CC5=CC=C(C=C5)O)N(C)C(=O)C)CCC6=CC=CC=C6)[C@@H](C)O)CO
+CH$IUPAC: InChI=1S/C73H107N13O21/c1-9-40(5)60-68(101)80-51(38-87)65(98)76-47(10-2)64(97)82-61(41(6)88)69(102)78-49(27-24-43-17-12-11-13-18-43)71(104)85-31-14-19-52(85)66(99)79-50(35-46(36-57(92)56(91)33-39(3)4)107-73(106)55(83(8)42(7)89)34-44-22-25-45(90)26-23-44)62(95)70(103)77-48(28-29-58(74)93)63(96)75-37-59(94)84-30-16-21-54(84)72(105)86-32-15-20-53(86)67(100)81-60/h10-13,17-18,22-23,25-26,39-41,46,48-57,60-62,87-88,90-92,95H,9,14-16,19-21,24,27-38H2,1-8H3,(H2,74,93)(H,75,96)(H,76,98)(H,77,103)(H,78,102)(H,79,99)(H,80,101)(H,81,100)(H,82,97)/b47-10+/t40-,41+,46?,48-,49?,50?,51-,52-,53-,54-,55?,56?,57?,60+,61-,62?/m0/s1
+CH$LINK: PUBCHEM CID:44254511
+CH$LINK: INCHIKEY XCGGFKXEWPNQFS-CRPGRYFWSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 103-1550
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.141 min
+MS$FOCUSED_ION: BASE_PEAK 766.8982
+MS$FOCUSED_ION: PRECURSOR_M/Z 1502.7777
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 18972852
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0uec-0930000000-4510f2a187b64781d93a
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  107.0492 C7H7O+ 1 107.0491 0.33
+  110.0598 C6H8NO+ 1 110.06 -2.03
+  112.0756 C6H10NO+ 1 112.0757 -0.89
+  115.0866 C5H11N2O+ 1 115.0866 -0.04
+  116.0706 C5H10NO2+ 1 116.0706 -0.08
+  117.0699 C9H9+ 1 117.0699 0.1
+  119.0491 C8H7O+ 1 119.0491 -0.51
+  121.1011 C9H13+ 1 121.1012 -0.37
+  125.0961 C8H13O+ 1 125.0961 -0.05
+  126.0549 C6H8NO2+ 1 126.055 -0.11
+  126.0913 C7H12NO+ 1 126.0913 -0.54
+  127.0865 C6H11N2O+ 1 127.0866 -0.55
+  129.0656 C5H9N2O2+ 1 129.0659 -2.22
+  134.0963 C9H12N+ 1 134.0964 -0.74
+  135.0677 C8H9NO+ 1 135.0679 -1.45
+  137.0964 C9H13O+ 1 137.0961 1.93
+  138.1276 C9H16N+ 1 138.1277 -1.11
+  139.0862 C7H11N2O+ 1 139.0866 -3.09
+  141.0662 C6H9N2O2+ 1 141.0659 2.22
+  145.101 C11H13+ 1 145.1012 -0.93
+  150.0913 C9H12NO+ 1 150.0913 -0.6
+  151.1114 C10H15O+ 1 151.1117 -2.29
+  153.1021 C8H13N2O+ 1 153.1022 -1.05
+  155.0814 C7H11N2O2+ 1 155.0815 -0.89
+  157.0966 C7H13N2O2+ 2 157.0972 -3.61
+  163.1115 C11H15O+ 1 163.1117 -1.26
+  165.1022 C9H13N2O+ 1 165.1022 -0.01
+  167.0813 C8H11N2O2+ 1 167.0815 -1.15
+  167.1179 C9H15N2O+ 1 167.1179 0.26
+  168.0769 C7H10N3O2+ 1 168.0768 0.64
+  168.1382 C10H18NO+ 1 168.1383 -0.26
+  169.0604 C7H9N2O3+ 1 169.0608 -2.08
+  171.0763 C7H11N2O3+ 1 171.0764 -0.46
+  171.1125 C8H15N2O2+ 1 171.1128 -1.76
+  180.138 C11H18NO+ 1 180.1383 -1.62
+  181.0972 C9H13N2O2+ 1 181.0972 0
+  181.121 C9H15N3O+ 1 181.121 0.05
+  183.0765 C8H11N2O3+ 1 183.0764 0.27
+  183.1492 C10H19N2O+ 1 183.1492 0.01
+  185.0917 C8H13N2O3+ 1 185.0921 -1.74
+  186.088 C9H14O4+ 2 186.0887 -3.73
+  186.1276 C13H16N+ 1 186.1277 -0.63
+  187.0713 C7H11N2O4+ 1 187.0713 -0.31
+  190.1226 C12H16NO+ 1 190.1226 -0.3
+  191.1058 C10H13N3O+ 2 191.1053 2.4
+  192.1018 C11H14NO2+ 1 192.1019 -0.59
+  195.1127 C10H15N2O2+ 1 195.1128 -0.48
+  195.1488 C11H19N2O+ 1 195.1492 -1.86
+  197.1286 C10H17N2O2+ 1 197.1285 0.74
+  198.1488 C11H20NO2+ 1 198.1489 -0.48
+  201.1234 C9H17N2O3+ 1 201.1234 0.12
+  208.1334 C12H18NO2+ 1 208.1332 0.7
+  211.1442 C11H19N2O2+ 1 211.1441 0.36
+  212.1394 C10H18N3O2+ 1 212.1394 0.26
+  220.0967 C12H14NO3+ 1 220.0968 -0.76
+  221.0925 C11H13N2O3+ 1 221.0921 2.04
+  225.1597 C12H21N2O2+ 1 225.1598 -0.22
+  226.1435 C12H20NO3+ 2 226.1438 -1.31
+  235.144 C13H19N2O2+ 2 235.1441 -0.4
+  243.1493 C15H19N2O+ 4 243.1492 0.53
+  243.1698 C10H21N5O2+ 2 243.169 3.43
+  244.1539 C12H22NO4+ 2 244.1543 -1.91
+  245.1277 C12H15N5O+ 2 245.1271 2.47
+  249.1963 C15H25N2O+ 4 249.1961 0.66
+  252.1342 C12H18N3O3+ 1 252.1343 -0.28
+  253.1544 C13H21N2O3+ 3 253.1547 -0.99
+  254.1132 C11H16N3O4+ 2 254.1135 -1.4
+  259.144 C15H19N2O2+ 5 259.1441 -0.57
+  263.1389 C14H19N2O3+ 4 263.139 -0.44
+  266.1133 C12H16N3O4+ 2 266.1135 -0.73
+  266.1492 C11H18N6O2+ 3 266.1486 2.22
+  270.1813 C13H24N3O3+ 3 270.1812 0.13
+  272.1239 C10H12N10+ 3 272.1241 -0.75
+  277.1909 C16H25N2O2+ 6 277.1911 -0.71
+  280.1655 H24N8O9+ 5 280.1661 -1.93
+  280.2016 C15H26N3O2+ 5 280.202 -1.34
+  295.2017 C16H27N2O3+ 6 295.2016 0.4
+  298.1763 C14H24N3O4+ 5 298.1761 0.63
+  300.1703 C17H22N3O2+ 6 300.1707 -1.23
+  308.1967 C16H26N3O3+ 7 308.1969 -0.46
+  340.2228 C17H30N3O4+ 8 340.2231 -0.87
+  346.1751 C18H24N3O4+ 10 346.1761 -3.09
+  363.2031 C4H29N9O10+ 11 363.2032 -0.29
+  367.2336 C18H31N4O4+ 11 367.234 -1.04
+  381.2133 C18H29N4O5+ 12 381.2132 0.15
+  395.2288 C18H25N11+ 12 395.2289 -0.3
+  478.266 C22H30N12O+ 15 478.266 -0.02
+PK$NUM_PEAK: 87
+PK$PEAK: m/z int. rel.int.
+  107.0492 116135.4 21
+  110.0598 59016.1 10
+  112.0756 119528.1 22
+  115.0866 638981.2 119
+  116.0706 208870.4 38
+  117.0699 268718.5 50
+  119.0491 69746.5 12
+  121.1011 58368.6 10
+  125.0961 179537.2 33
+  126.0549 469022.5 87
+  126.0913 277830.6 51
+  127.0865 1170686.6 218
+  129.0656 93950.5 17
+  134.0963 774681.7 144
+  135.0677 165448.1 30
+  137.0964 55684.7 10
+  138.1276 174905.5 32
+  139.0862 87497.2 16
+  141.0662 57709.5 10
+  145.101 69730.4 12
+  150.0913 5363056 999
+  151.1114 125872.7 23
+  153.1021 216511 40
+  155.0814 1571631.6 292
+  157.0966 59598.8 11
+  163.1115 163766 30
+  165.1022 75886 14
+  167.0813 151630.8 28
+  167.1179 380423.2 70
+  168.0769 94532.9 17
+  168.1382 274442.9 51
+  169.0604 68146.2 12
+  171.0763 120635.3 22
+  171.1125 70557.6 13
+  180.138 152998.8 28
+  181.0972 195193.7 36
+  181.121 76112.5 14
+  183.0765 105534.8 19
+  183.1492 1934243 360
+  185.0917 176497.4 32
+  186.088 100955.6 18
+  186.1276 810655.7 151
+  187.0713 138212 25
+  190.1226 171458.7 31
+  191.1058 160853.4 29
+  192.1018 3457406 644
+  195.1127 509880.8 94
+  195.1488 86329.7 16
+  197.1286 96703.5 18
+  198.1488 281553.4 52
+  201.1234 220749.5 41
+  208.1334 284743.9 53
+  211.1442 1054563.4 196
+  212.1394 141732.9 26
+  220.0967 825842.8 153
+  221.0925 63924.4 11
+  225.1597 57450.8 10
+  226.1435 278569.1 51
+  235.144 425440.9 79
+  243.1493 99966.9 18
+  243.1698 109875.8 20
+  244.1539 165849.6 30
+  245.1277 58640.5 10
+  249.1963 128493.8 23
+  252.1342 528239.2 98
+  253.1544 112537.8 20
+  254.1132 186223.3 34
+  259.144 58997.1 10
+  263.1389 128658.7 23
+  266.1133 488353 90
+  266.1492 134460.3 25
+  270.1813 149464.2 27
+  272.1239 56386.6 10
+  277.1909 297460.8 55
+  280.1655 253423.6 47
+  280.2016 375275.7 69
+  295.2017 627439.4 116
+  298.1763 559045.7 104
+  300.1703 122274.7 22
+  308.1967 445203.7 82
+  340.2228 158103 29
+  346.1751 119048.9 22
+  363.2031 424457.3 79
+  367.2336 152974.7 28
+  381.2133 253947.4 47
+  395.2288 409213.3 76
+  478.266 288011.7 53
+//
diff --git a/Eawag/MSBNK-MLU-ED032606.txt b/Eawag/MSBNK-MLU-ED032606.txt
new file mode 100644
index 0000000000..5bd53a103e
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED032606.txt
@@ -0,0 +1,202 @@
+ACCESSION: MSBNK-MLU-ED032606
+RECORD_TITLE: Lyngbyazothrin D; LC-ESI-QFT; MS2; CE: 50%; R=17500; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], E. N. Zainuddin [dtc], S. Mundt [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 326
+CH$NAME: Lyngbyazothrin D
+CH$NAME: [1-[(3S,12S,19S,28S,31E,34S,37R,40S)-12-(3-amino-3-oxopropyl)-37-[(2S)-butan-2-yl]-31-ethylidene-15-hydroxy-28-[(1R)-1-hydroxyethyl]-34-(hydroxymethyl)-2,8,11,14,18,24,27,30,33,36,39-undecaoxo-25-(2-phenylethyl)-1,7,10,13,17,23,26,29,32,35,38-undecazatetracyclo[38.3.0.03,7.019,23]tritetracontan-16-yl]-4,5-dihydroxy-7-methyloctan-2-yl] 2-[acetyl(methyl)amino]-3-(4-hydroxyphenyl)propanoate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C73H107N13O21
+CH$EXACT_MASS: 1501.770447
+CH$SMILES: CC[C@H](C)[C@@H]1C(=O)N[C@H](C(=O)N/C(=C/C)/C(=O)N[C@H](C(=O)NC(C(=O)N2CCC[C@H]2C(=O)NC(C(C(=O)N[C@H](C(=O)NCC(=O)N3CCC[C@H]3C(=O)N4CCC[C@H]4C(=O)N1)CCC(=O)N)O)CC(CC(C(CC(C)C)O)O)OC(=O)C(CC5=CC=C(C=C5)O)N(C)C(=O)C)CCC6=CC=CC=C6)[C@@H](C)O)CO
+CH$IUPAC: InChI=1S/C73H107N13O21/c1-9-40(5)60-68(101)80-51(38-87)65(98)76-47(10-2)64(97)82-61(41(6)88)69(102)78-49(27-24-43-17-12-11-13-18-43)71(104)85-31-14-19-52(85)66(99)79-50(35-46(36-57(92)56(91)33-39(3)4)107-73(106)55(83(8)42(7)89)34-44-22-25-45(90)26-23-44)62(95)70(103)77-48(28-29-58(74)93)63(96)75-37-59(94)84-30-16-21-54(84)72(105)86-32-15-20-53(86)67(100)81-60/h10-13,17-18,22-23,25-26,39-41,46,48-57,60-62,87-88,90-92,95H,9,14-16,19-21,24,27-38H2,1-8H3,(H2,74,93)(H,75,96)(H,76,98)(H,77,103)(H,78,102)(H,79,99)(H,80,101)(H,81,100)(H,82,97)/b47-10+/t40-,41+,46?,48-,49?,50?,51-,52-,53-,54-,55?,56?,57?,60+,61-,62?/m0/s1
+CH$LINK: PUBCHEM CID:44254511
+CH$LINK: INCHIKEY XCGGFKXEWPNQFS-CRPGRYFWSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 103-1550
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.141 min
+MS$FOCUSED_ION: BASE_PEAK 766.8982
+MS$FOCUSED_ION: PRECURSOR_M/Z 1502.7777
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 18972852
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0udi-0910000000-c09ac0c3e7b1a1ad46a2
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  105.07 C8H9+ 1 105.0699 0.85
+  107.049 C7H7O+ 1 107.0491 -1.16
+  107.0855 C8H11+ 1 107.0855 -0.17
+  110.0598 C6H8NO+ 1 110.06 -2.45
+  112.0393 C5H6NO2+ 1 112.0393 -0.34
+  112.0758 C6H10NO+ 1 112.0757 0.6
+  115.0866 C5H11N2O+ 1 115.0866 -0.18
+  116.0706 C5H10NO2+ 1 116.0706 -0.15
+  117.0699 C9H9+ 1 117.0699 0.23
+  119.0492 C8H7O+ 1 119.0491 0.13
+  121.0649 C8H9O+ 1 121.0648 0.52
+  121.1011 C9H13+ 1 121.1012 -0.68
+  124.0758 C7H10NO+ 1 124.0757 0.87
+  125.0711 C6H9N2O+ 1 125.0709 0.91
+  125.0961 C8H13O+ 1 125.0961 0.02
+  126.0549 C6H8NO2+ 1 126.055 -0.3
+  126.0912 C7H12NO+ 1 126.0913 -1.27
+  127.0865 C6H11N2O+ 1 127.0866 -0.37
+  129.0657 C5H9N2O2+ 1 129.0659 -1.04
+  134.0602 C8H8NO+ 1 134.06 1.03
+  134.0963 C9H12N+ 1 134.0964 -0.62
+  135.0678 C8H9NO+ 1 135.0679 -0.32
+  135.1163 C10H15+ 1 135.1168 -4.02
+  137.0712 C7H9N2O+ 1 137.0709 1.75
+  137.0959 C9H13O+ 1 137.0961 -1.3
+  138.1276 C9H16N+ 1 138.1277 -1
+  139.0863 C7H11N2O+ 1 139.0866 -1.77
+  141.0657 C6H9N2O2+ 1 141.0659 -1.14
+  145.1012 C11H13+ 1 145.1012 0.33
+  150.0912 C9H12NO+ 1 150.0913 -0.7
+  151.1115 C10H15O+ 1 151.1117 -1.89
+  153.102 C8H13N2O+ 1 153.1022 -1.65
+  155.0457 C6H7N2O3+ 1 155.0451 3.89
+  155.0814 C7H11N2O2+ 1 155.0815 -0.99
+  157.0971 C7H13N2O2+ 1 157.0972 -0.31
+  163.1115 C11H15O+ 1 163.1117 -1.26
+  165.1023 C9H13N2O+ 1 165.1022 0.54
+  167.0814 C8H11N2O2+ 1 167.0815 -0.6
+  167.1178 C9H15N2O+ 1 167.1179 -0.47
+  167.1544 C10H19N2+ 1 167.1543 0.67
+  168.0768 C7H10N3O2+ 1 168.0768 0.1
+  168.1382 C10H18NO+ 1 168.1383 -0.8
+  169.0608 C7H9N2O3+ 1 169.0608 -0.01
+  171.0762 C7H11N2O3+ 1 171.0764 -1.53
+  171.1128 C8H15N2O2+ 1 171.1128 -0.16
+  173.094 C10H11N3+ 1 173.0947 -4.23
+  180.1383 C11H18NO+ 1 180.1383 0.24
+  181.061 C8H9N2O3+ 1 181.0608 1.06
+  181.0971 C9H13N2O2+ 1 181.0972 -0.17
+  181.1215 C9H15N3O+ 2 181.121 3.17
+  183.1492 C10H19N2O+ 1 183.1492 0.01
+  185.0921 C8H13N2O3+ 1 185.0921 -0.09
+  186.089 C9H14O4+ 1 186.0887 1.92
+  186.1277 C13H16N+ 1 186.1277 -0.22
+  187.0714 C7H11N2O4+ 1 187.0713 0.5
+  190.1224 C12H16NO+ 1 190.1226 -1.1
+  191.1051 C10H13N3O+ 1 191.1053 -1.28
+  192.1017 C11H14NO2+ 1 192.1019 -0.91
+  195.1127 C10H15N2O2+ 1 195.1128 -0.33
+  195.1495 C11H19N2O+ 1 195.1492 1.43
+  197.1285 C10H17N2O2+ 1 197.1285 0.12
+  198.1487 C11H20NO2+ 1 198.1489 -0.94
+  201.1232 C9H17N2O3+ 1 201.1234 -0.71
+  208.1333 C12H18NO2+ 1 208.1332 0.26
+  211.1441 C11H19N2O2+ 1 211.1441 -0.15
+  221.0921 C11H13N2O3+ 1 221.0921 0.04
+  226.1435 C12H20NO3+ 2 226.1438 -1.25
+  235.1441 C13H19N2O2+ 2 235.1441 -0.01
+  243.1493 C15H19N2O+ 4 243.1492 0.28
+  244.1542 C12H22NO4+ 1 244.1543 -0.41
+  252.134 C12H18N3O3+ 2 252.1343 -1.01
+  254.1141 C11H16N3O4+ 3 254.1135 2.26
+  261.1809 C12H25N2O4+ 1 261.1809 0.02
+  266.1137 C12H16N3O4+ 3 266.1135 0.76
+  266.1485 C11H18N6O2+ 3 266.1486 -0.3
+  277.1911 C16H25N2O2+ 5 277.1911 0.17
+  295.2017 C16H27N2O3+ 6 295.2016 0.4
+  298.1759 C14H24N3O4+ 4 298.1761 -0.8
+  300.1707 C17H22N3O2+ 7 300.1707 0.29
+  308.1968 C16H26N3O3+ 7 308.1969 -0.36
+PK$NUM_PEAK: 80
+PK$PEAK: m/z int. rel.int.
+  105.07 69413.4 10
+  107.049 223301.9 33
+  107.0855 145439.2 21
+  110.0598 74305.8 11
+  112.0393 92675.6 13
+  112.0758 160252.5 24
+  115.0866 445087.3 66
+  116.0706 201673.2 30
+  117.0699 542241.2 81
+  119.0492 173073.8 25
+  121.0649 107987.5 16
+  121.1011 77602.9 11
+  124.0758 94759 14
+  125.0711 88380 13
+  125.0961 346658.3 52
+  126.0549 595137.9 89
+  126.0912 292726.9 43
+  127.0865 1623646.8 243
+  129.0657 100586.8 15
+  134.0602 82048.6 12
+  134.0963 816734.1 122
+  135.0678 361744.3 54
+  135.1163 97066.8 14
+  137.0712 70720.8 10
+  137.0959 110501.8 16
+  138.1276 209823.5 31
+  139.0863 181319.6 27
+  141.0657 128638.4 19
+  145.1012 125241.6 18
+  150.0912 6650590.5 999
+  151.1115 175280.9 26
+  153.102 239710.6 36
+  155.0457 113494.5 17
+  155.0814 1255152.6 188
+  157.0971 103751 15
+  163.1115 225107.3 33
+  165.1023 96035.8 14
+  167.0814 227073.3 34
+  167.1178 366831.6 55
+  167.1544 84408.8 12
+  168.0768 113866.8 17
+  168.1382 274058 41
+  169.0608 134693.6 20
+  171.0762 168876.3 25
+  171.1128 67612.1 10
+  173.094 131591.1 19
+  180.1383 219455.4 32
+  181.061 67597.1 10
+  181.0971 127157 19
+  181.1215 93407.4 14
+  183.1492 2332911.8 350
+  185.0921 142975 21
+  186.089 73239.3 11
+  186.1277 917068.1 137
+  187.0714 176743.8 26
+  190.1224 212579 31
+  191.1051 143431.2 21
+  192.1017 1531991.8 230
+  195.1127 323418.4 48
+  195.1495 102458.9 15
+  197.1285 113758.1 17
+  198.1487 289553 43
+  201.1232 174203.3 26
+  208.1333 298084.6 44
+  211.1441 561215.4 84
+  221.0921 73241.3 11
+  226.1435 186760 28
+  235.1441 287015.9 43
+  243.1493 101091.5 15
+  244.1542 95928 14
+  252.134 147997.2 22
+  254.1141 83716.8 12
+  261.1809 276093.1 41
+  266.1137 215812.9 32
+  266.1485 106610.5 16
+  277.1911 115755.8 17
+  295.2017 263984.6 39
+  298.1759 133601 20
+  300.1707 77503.5 11
+  308.1968 91737.2 13
+//
diff --git a/Eawag/MSBNK-MLU-ED032607.txt b/Eawag/MSBNK-MLU-ED032607.txt
new file mode 100644
index 0000000000..b4cc89206a
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED032607.txt
@@ -0,0 +1,180 @@
+ACCESSION: MSBNK-MLU-ED032607
+RECORD_TITLE: Lyngbyazothrin D; LC-ESI-QFT; MS2; CE: 60%; R=17500; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], E. N. Zainuddin [dtc], S. Mundt [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 326
+CH$NAME: Lyngbyazothrin D
+CH$NAME: [1-[(3S,12S,19S,28S,31E,34S,37R,40S)-12-(3-amino-3-oxopropyl)-37-[(2S)-butan-2-yl]-31-ethylidene-15-hydroxy-28-[(1R)-1-hydroxyethyl]-34-(hydroxymethyl)-2,8,11,14,18,24,27,30,33,36,39-undecaoxo-25-(2-phenylethyl)-1,7,10,13,17,23,26,29,32,35,38-undecazatetracyclo[38.3.0.03,7.019,23]tritetracontan-16-yl]-4,5-dihydroxy-7-methyloctan-2-yl] 2-[acetyl(methyl)amino]-3-(4-hydroxyphenyl)propanoate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C73H107N13O21
+CH$EXACT_MASS: 1501.770447
+CH$SMILES: CC[C@H](C)[C@@H]1C(=O)N[C@H](C(=O)N/C(=C/C)/C(=O)N[C@H](C(=O)NC(C(=O)N2CCC[C@H]2C(=O)NC(C(C(=O)N[C@H](C(=O)NCC(=O)N3CCC[C@H]3C(=O)N4CCC[C@H]4C(=O)N1)CCC(=O)N)O)CC(CC(C(CC(C)C)O)O)OC(=O)C(CC5=CC=C(C=C5)O)N(C)C(=O)C)CCC6=CC=CC=C6)[C@@H](C)O)CO
+CH$IUPAC: InChI=1S/C73H107N13O21/c1-9-40(5)60-68(101)80-51(38-87)65(98)76-47(10-2)64(97)82-61(41(6)88)69(102)78-49(27-24-43-17-12-11-13-18-43)71(104)85-31-14-19-52(85)66(99)79-50(35-46(36-57(92)56(91)33-39(3)4)107-73(106)55(83(8)42(7)89)34-44-22-25-45(90)26-23-44)62(95)70(103)77-48(28-29-58(74)93)63(96)75-37-59(94)84-30-16-21-54(84)72(105)86-32-15-20-53(86)67(100)81-60/h10-13,17-18,22-23,25-26,39-41,46,48-57,60-62,87-88,90-92,95H,9,14-16,19-21,24,27-38H2,1-8H3,(H2,74,93)(H,75,96)(H,76,98)(H,77,103)(H,78,102)(H,79,99)(H,80,101)(H,81,100)(H,82,97)/b47-10+/t40-,41+,46?,48-,49?,50?,51-,52-,53-,54-,55?,56?,57?,60+,61-,62?/m0/s1
+CH$LINK: PUBCHEM CID:44254511
+CH$LINK: INCHIKEY XCGGFKXEWPNQFS-CRPGRYFWSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 103-1550
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.141 min
+MS$FOCUSED_ION: BASE_PEAK 766.8982
+MS$FOCUSED_ION: PRECURSOR_M/Z 1502.7777
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 18972852
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0udi-0900000000-e3c22b710266233160b0
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  105.0697 C8H9+ 1 105.0699 -1.48
+  106.0651 C7H8N+ 1 106.0651 0.04
+  107.0491 C7H7O+ 1 107.0491 -0.31
+  107.0855 C8H11+ 1 107.0855 -0.1
+  109.0647 C7H9O+ 1 109.0648 -0.79
+  110.0601 C6H8NO+ 1 110.06 0.12
+  111.0916 C6H11N2+ 1 111.0917 -0.79
+  112.0393 C5H6NO2+ 1 112.0393 -0.21
+  112.0757 C6H10NO+ 1 112.0757 -0.28
+  113.0709 C5H9N2O+ 1 113.0709 -0.61
+  115.0544 C9H7+ 1 115.0542 1.2
+  115.0866 C5H11N2O+ 1 115.0866 0.29
+  116.0705 C5H10NO2+ 1 116.0706 -1.26
+  117.07 C9H9+ 1 117.0699 0.75
+  119.0491 C8H7O+ 1 119.0491 -0.06
+  121.0648 C8H9O+ 1 121.0648 0.08
+  121.1012 C9H13+ 1 121.1012 0.58
+  124.0756 C7H10NO+ 1 124.0757 -0.67
+  125.071 C6H9N2O+ 1 125.0709 0.18
+  125.0962 C8H13O+ 1 125.0961 0.5
+  126.0549 C6H8NO2+ 1 126.055 -0.3
+  126.0913 C7H12NO+ 1 126.0913 -0.6
+  127.0865 C6H11N2O+ 1 127.0866 -0.37
+  132.0807 C9H10N+ 1 132.0808 -0.23
+  134.0602 C8H8NO+ 1 134.06 1.15
+  134.0964 C9H12N+ 1 134.0964 -0.51
+  135.0677 C8H9NO+ 1 135.0679 -1
+  135.1163 C10H15+ 1 135.1168 -3.57
+  137.071 C7H9N2O+ 1 137.0709 0.63
+  137.096 C9H13O+ 1 137.0961 -0.97
+  138.1276 C9H16N+ 1 138.1277 -0.56
+  139.05 C6H7N2O2+ 1 139.0502 -1.16
+  139.0865 C7H11N2O+ 1 139.0866 -0.79
+  140.0817 C6H10N3O+ 1 140.0818 -1.3
+  141.0658 C6H9N2O2+ 1 141.0659 -0.27
+  145.1011 C11H13+ 1 145.1012 -0.82
+  150.0913 C9H12NO+ 1 150.0913 -0.5
+  151.1113 C10H15O+ 1 151.1117 -2.59
+  153.0659 C7H9N2O2+ 1 153.0659 0
+  153.102 C8H13N2O+ 1 153.1022 -1.75
+  155.0452 C6H7N2O3+ 1 155.0451 0.54
+  155.0814 C7H11N2O2+ 1 155.0815 -0.99
+  163.1117 C11H15O+ 1 163.1117 -0.51
+  165.1023 C9H13N2O+ 1 165.1022 0.45
+  167.0813 C8H11N2O2+ 1 167.0815 -1.15
+  167.1179 C9H15N2O+ 1 167.1179 0.35
+  167.1539 C10H19N2+ 1 167.1543 -2.53
+  168.0765 C7H10N3O2+ 1 168.0768 -1.54
+  168.1383 C10H18NO+ 1 168.1383 -0.08
+  169.0609 C7H9N2O3+ 1 169.0608 0.53
+  171.0762 C7H11N2O3+ 1 171.0764 -1.53
+  173.0948 C10H11N3+ 1 173.0947 0.53
+  180.1382 C11H18NO+ 1 180.1383 -0.52
+  181.0606 C8H9N2O3+ 1 181.0608 -1.05
+  183.0765 C8H11N2O3+ 1 183.0764 0.35
+  183.1492 C10H19N2O+ 1 183.1492 0.09
+  185.0917 C8H13N2O3+ 1 185.0921 -2.23
+  186.1276 C13H16N+ 1 186.1277 -0.88
+  187.0717 C7H11N2O4+ 1 187.0713 2.05
+  190.1223 C12H16NO+ 1 190.1226 -1.82
+  191.1053 C10H13N3O+ 1 191.1053 0
+  192.1015 C11H14NO2+ 2 192.1019 -2.1
+  195.113 C10H15N2O2+ 1 195.1128 1.24
+  198.1487 C11H20NO2+ 1 198.1489 -0.87
+  201.1234 C9H17N2O3+ 1 201.1234 0.12
+  208.1332 C12H18NO2+ 1 208.1332 0.04
+  211.1438 C11H19N2O2+ 1 211.1441 -1.3
+  226.1432 C12H20NO3+ 2 226.1438 -2.73
+  235.1441 C13H19N2O2+ 2 235.1441 0.18
+PK$NUM_PEAK: 69
+PK$PEAK: m/z int. rel.int.
+  105.0697 144982.6 18
+  106.0651 82873.1 10
+  107.0491 359242 45
+  107.0855 314579 40
+  109.0647 146241.9 18
+  110.0601 133740.8 17
+  111.0916 92252.3 11
+  112.0393 147128.3 18
+  112.0757 223998 28
+  113.0709 107869.8 13
+  115.0544 158769.6 20
+  115.0866 304886.4 38
+  116.0705 206103.3 26
+  117.07 812345.8 103
+  119.0491 404709 51
+  121.0648 214311.8 27
+  121.1012 109884.9 14
+  124.0756 140353.9 17
+  125.071 133887.6 17
+  125.0962 436120.8 55
+  126.0549 527685.6 67
+  126.0913 304785.5 38
+  127.0865 1578026.4 201
+  132.0807 87101.2 11
+  134.0602 157662.6 20
+  134.0964 740037.8 94
+  135.0677 750791.4 95
+  135.1163 81907.5 10
+  137.071 148344.8 18
+  137.096 137188.8 17
+  138.1276 164803 20
+  139.05 83370.1 10
+  139.0865 236891.7 30
+  140.0817 106429.8 13
+  141.0658 212012.8 27
+  145.1011 188273.7 23
+  150.0913 7840248.5 999
+  151.1113 178392 22
+  153.0659 107502 13
+  153.102 198873.9 25
+  155.0452 164385 20
+  155.0814 811577.4 103
+  163.1117 198032.1 25
+  165.1023 108549.5 13
+  167.0813 187262.6 23
+  167.1179 237230.2 30
+  167.1539 83193 10
+  168.0765 100745.5 12
+  168.1383 244727.2 31
+  169.0609 152661.6 19
+  171.0762 144579.6 18
+  173.0948 85993.2 10
+  180.1382 196522.5 25
+  181.0606 88564.3 11
+  183.0765 150012.2 19
+  183.1492 1406631.8 179
+  185.0917 88381.7 11
+  186.1276 911053.9 116
+  187.0717 105334.8 13
+  190.1223 225728.5 28
+  191.1053 135117.1 17
+  192.1015 550998.1 70
+  195.113 167123.7 21
+  198.1487 171235.6 21
+  201.1234 80189.7 10
+  208.1332 202495.9 25
+  211.1438 130796.4 16
+  226.1432 94976.9 12
+  235.1441 119018.1 15
+//
diff --git a/Eawag/MSBNK-MLU-ED032608.txt b/Eawag/MSBNK-MLU-ED032608.txt
new file mode 100644
index 0000000000..1475c935c8
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED032608.txt
@@ -0,0 +1,168 @@
+ACCESSION: MSBNK-MLU-ED032608
+RECORD_TITLE: Lyngbyazothrin D; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], E. N. Zainuddin [dtc], S. Mundt [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 326
+CH$NAME: Lyngbyazothrin D
+CH$NAME: [1-[(3S,12S,19S,28S,31E,34S,37R,40S)-12-(3-amino-3-oxopropyl)-37-[(2S)-butan-2-yl]-31-ethylidene-15-hydroxy-28-[(1R)-1-hydroxyethyl]-34-(hydroxymethyl)-2,8,11,14,18,24,27,30,33,36,39-undecaoxo-25-(2-phenylethyl)-1,7,10,13,17,23,26,29,32,35,38-undecazatetracyclo[38.3.0.03,7.019,23]tritetracontan-16-yl]-4,5-dihydroxy-7-methyloctan-2-yl] 2-[acetyl(methyl)amino]-3-(4-hydroxyphenyl)propanoate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C73H107N13O21
+CH$EXACT_MASS: 1501.770447
+CH$SMILES: CC[C@H](C)[C@@H]1C(=O)N[C@H](C(=O)N/C(=C/C)/C(=O)N[C@H](C(=O)NC(C(=O)N2CCC[C@H]2C(=O)NC(C(C(=O)N[C@H](C(=O)NCC(=O)N3CCC[C@H]3C(=O)N4CCC[C@H]4C(=O)N1)CCC(=O)N)O)CC(CC(C(CC(C)C)O)O)OC(=O)C(CC5=CC=C(C=C5)O)N(C)C(=O)C)CCC6=CC=CC=C6)[C@@H](C)O)CO
+CH$IUPAC: InChI=1S/C73H107N13O21/c1-9-40(5)60-68(101)80-51(38-87)65(98)76-47(10-2)64(97)82-61(41(6)88)69(102)78-49(27-24-43-17-12-11-13-18-43)71(104)85-31-14-19-52(85)66(99)79-50(35-46(36-57(92)56(91)33-39(3)4)107-73(106)55(83(8)42(7)89)34-44-22-25-45(90)26-23-44)62(95)70(103)77-48(28-29-58(74)93)63(96)75-37-59(94)84-30-16-21-54(84)72(105)86-32-15-20-53(86)67(100)81-60/h10-13,17-18,22-23,25-26,39-41,46,48-57,60-62,87-88,90-92,95H,9,14-16,19-21,24,27-38H2,1-8H3,(H2,74,93)(H,75,96)(H,76,98)(H,77,103)(H,78,102)(H,79,99)(H,80,101)(H,81,100)(H,82,97)/b47-10+/t40-,41+,46?,48-,49?,50?,51-,52-,53-,54-,55?,56?,57?,60+,61-,62?/m0/s1
+CH$LINK: PUBCHEM CID:44254511
+CH$LINK: INCHIKEY XCGGFKXEWPNQFS-CRPGRYFWSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 103-1550
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.141 min
+MS$FOCUSED_ION: BASE_PEAK 766.8982
+MS$FOCUSED_ION: PRECURSOR_M/Z 1502.7777
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 18972852
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0udi-0900000000-73d1dd2654f4f429aeee
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  105.0699 C8H9+ 1 105.0699 0.56
+  106.0652 C7H8N+ 1 106.0651 1.11
+  107.0491 C7H7O+ 1 107.0491 -0.02
+  107.0855 C8H11+ 1 107.0855 0.11
+  109.0649 C7H9O+ 1 109.0648 0.68
+  110.0602 C6H8NO+ 1 110.06 1.09
+  111.0917 C6H11N2+ 1 111.0917 0.24
+  112.0393 C5H6NO2+ 1 112.0393 -0.14
+  112.0757 C6H10NO+ 1 112.0757 -0.01
+  113.0709 C5H9N2O+ 1 113.0709 -0.54
+  115.0543 C9H7+ 1 115.0542 0.94
+  115.0865 C5H11N2O+ 1 115.0866 -0.57
+  116.0704 C5H10NO2+ 1 116.0706 -1.72
+  117.0699 C9H9+ 1 117.0699 0.49
+  118.0652 C8H8N+ 1 118.0651 0.31
+  119.0491 C8H7O+ 1 119.0491 0
+  121.0649 C8H9O+ 1 121.0648 0.77
+  121.1012 C9H13+ 1 121.1012 0.33
+  123.0441 C7H7O2+ 1 123.0441 0.52
+  124.0757 C7H10NO+ 1 124.0757 0.19
+  125.0708 C6H9N2O+ 1 125.0709 -1.16
+  125.0961 C8H13O+ 1 125.0961 0.08
+  126.055 C6H8NO2+ 1 126.055 0.07
+  126.0913 C7H12NO+ 1 126.0913 -0.48
+  127.0866 C6H11N2O+ 1 127.0866 -0.19
+  131.0854 C10H11+ 1 131.0855 -0.77
+  132.0806 C9H10N+ 1 132.0808 -1.39
+  134.06 C8H8NO+ 1 134.06 -0.56
+  134.0963 C9H12N+ 1 134.0964 -0.97
+  135.0677 C8H9NO+ 1 135.0679 -1.11
+  135.1168 C10H15+ 1 135.1168 0.05
+  137.0709 C7H9N2O+ 1 137.0709 -0.03
+  137.0959 C9H13O+ 1 137.0961 -1.19
+  138.1273 C9H16N+ 1 138.1277 -2.99
+  139.0501 C6H7N2O2+ 1 139.0502 -0.94
+  139.0864 C7H11N2O+ 1 139.0866 -1.12
+  140.0817 C6H10N3O+ 1 140.0818 -1.19
+  141.0658 C6H9N2O2+ 1 141.0659 -0.59
+  145.1009 C11H13+ 1 145.1012 -2.08
+  150.0912 C9H12NO+ 1 150.0913 -0.7
+  151.1115 C10H15O+ 1 151.1117 -1.48
+  153.0658 C7H9N2O2+ 1 153.0659 -0.1
+  153.1022 C8H13N2O+ 1 153.1022 -0.45
+  155.0451 C6H7N2O3+ 1 155.0451 -0.05
+  155.0814 C7H11N2O2+ 1 155.0815 -0.99
+  163.1115 C11H15O+ 1 163.1117 -1.54
+  165.1022 C9H13N2O+ 1 165.1022 -0.2
+  167.0812 C8H11N2O2+ 1 167.0815 -1.61
+  167.1178 C9H15N2O+ 1 167.1179 -0.38
+  168.1382 C10H18NO+ 1 168.1383 -0.62
+  169.0612 C7H9N2O3+ 1 169.0608 2.43
+  171.0762 C7H11N2O3+ 1 171.0764 -1.18
+  180.1379 C11H18NO+ 1 180.1383 -2.04
+  181.0605 C8H9N2O3+ 1 181.0608 -1.73
+  183.0762 C8H11N2O3+ 1 183.0764 -1.15
+  183.1491 C10H19N2O+ 1 183.1492 -0.24
+  186.1277 C13H16N+ 1 186.1277 0.1
+  187.0717 C7H11N2O4+ 1 187.0713 2.14
+  190.1228 C12H16NO+ 1 190.1226 0.75
+  191.105 C10H13N3O+ 1 191.1053 -1.59
+  192.1012 C11H14NO2+ 2 192.1019 -3.93
+  196.0964 C10H14NO3+ 2 196.0968 -2.21
+  208.1333 C12H18NO2+ 1 208.1332 0.41
+PK$NUM_PEAK: 63
+PK$PEAK: m/z int. rel.int.
+  105.0699 125155.1 25
+  106.0652 79184.2 15
+  107.0491 345834.8 69
+  107.0855 251868.5 50
+  109.0649 121134 24
+  110.0602 113180.1 22
+  111.0917 71904.7 14
+  112.0393 85584.7 17
+  112.0757 106303.6 21
+  113.0709 88950.7 17
+  115.0543 159599 31
+  115.0865 145476.8 29
+  116.0704 121064 24
+  117.0699 661374.6 132
+  118.0652 57400.2 11
+  119.0491 327824.9 65
+  121.0649 212424.6 42
+  121.1012 93962 18
+  123.0441 109047.7 21
+  124.0757 88126.8 17
+  125.0708 117790.6 23
+  125.0961 264649.3 52
+  126.055 331052 66
+  126.0913 204207.4 40
+  127.0866 971154.3 194
+  131.0854 64577.6 12
+  132.0806 87176.4 17
+  134.06 143696.6 28
+  134.0963 429127.8 85
+  135.0677 632373.9 126
+  135.1168 51024.2 10
+  137.0709 111090.4 22
+  137.0959 86396.4 17
+  138.1273 99076.5 19
+  139.0501 75664.3 15
+  139.0864 172459.1 34
+  140.0817 67665.4 13
+  141.0658 120559.7 24
+  145.1009 113165.1 22
+  150.0912 4993787.5 999
+  151.1115 113462.1 22
+  153.0658 73759.2 14
+  153.1022 105458.1 21
+  155.0451 117167.4 23
+  155.0814 345593.8 69
+  163.1115 74269.4 14
+  165.1022 66635.3 13
+  167.0812 108962 21
+  167.1178 95148.4 19
+  168.1382 122087.6 24
+  169.0612 76353 15
+  171.0762 73177.4 14
+  180.1379 100522 20
+  181.0605 68754.1 13
+  183.0762 78870.2 15
+  183.1491 490056.9 98
+  186.1277 474399.3 94
+  187.0717 64658.6 12
+  190.1228 84092 16
+  191.105 73871.5 14
+  192.1012 145048.4 29
+  196.0964 105786.1 21
+  208.1333 85346 17
+//
diff --git a/Eawag/MSBNK-MLU-ED032609.txt b/Eawag/MSBNK-MLU-ED032609.txt
new file mode 100644
index 0000000000..b2c8a41bd1
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED032609.txt
@@ -0,0 +1,168 @@
+ACCESSION: MSBNK-MLU-ED032609
+RECORD_TITLE: Lyngbyazothrin D; LC-ESI-QFT; MS2; CE: 80%; R=17500; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], E. N. Zainuddin [dtc], S. Mundt [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 326
+CH$NAME: Lyngbyazothrin D
+CH$NAME: [1-[(3S,12S,19S,28S,31E,34S,37R,40S)-12-(3-amino-3-oxopropyl)-37-[(2S)-butan-2-yl]-31-ethylidene-15-hydroxy-28-[(1R)-1-hydroxyethyl]-34-(hydroxymethyl)-2,8,11,14,18,24,27,30,33,36,39-undecaoxo-25-(2-phenylethyl)-1,7,10,13,17,23,26,29,32,35,38-undecazatetracyclo[38.3.0.03,7.019,23]tritetracontan-16-yl]-4,5-dihydroxy-7-methyloctan-2-yl] 2-[acetyl(methyl)amino]-3-(4-hydroxyphenyl)propanoate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C73H107N13O21
+CH$EXACT_MASS: 1501.770447
+CH$SMILES: CC[C@H](C)[C@@H]1C(=O)N[C@H](C(=O)N/C(=C/C)/C(=O)N[C@H](C(=O)NC(C(=O)N2CCC[C@H]2C(=O)NC(C(C(=O)N[C@H](C(=O)NCC(=O)N3CCC[C@H]3C(=O)N4CCC[C@H]4C(=O)N1)CCC(=O)N)O)CC(CC(C(CC(C)C)O)O)OC(=O)C(CC5=CC=C(C=C5)O)N(C)C(=O)C)CCC6=CC=CC=C6)[C@@H](C)O)CO
+CH$IUPAC: InChI=1S/C73H107N13O21/c1-9-40(5)60-68(101)80-51(38-87)65(98)76-47(10-2)64(97)82-61(41(6)88)69(102)78-49(27-24-43-17-12-11-13-18-43)71(104)85-31-14-19-52(85)66(99)79-50(35-46(36-57(92)56(91)33-39(3)4)107-73(106)55(83(8)42(7)89)34-44-22-25-45(90)26-23-44)62(95)70(103)77-48(28-29-58(74)93)63(96)75-37-59(94)84-30-16-21-54(84)72(105)86-32-15-20-53(86)67(100)81-60/h10-13,17-18,22-23,25-26,39-41,46,48-57,60-62,87-88,90-92,95H,9,14-16,19-21,24,27-38H2,1-8H3,(H2,74,93)(H,75,96)(H,76,98)(H,77,103)(H,78,102)(H,79,99)(H,80,101)(H,81,100)(H,82,97)/b47-10+/t40-,41+,46?,48-,49?,50?,51-,52-,53-,54-,55?,56?,57?,60+,61-,62?/m0/s1
+CH$LINK: PUBCHEM CID:44254511
+CH$LINK: INCHIKEY XCGGFKXEWPNQFS-CRPGRYFWSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 103-1550
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.141 min
+MS$FOCUSED_ION: BASE_PEAK 766.8982
+MS$FOCUSED_ION: PRECURSOR_M/Z 1502.7777
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 18972852
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0udi-0900000000-cbeb5d1ed5b7dd9e59c5
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  105.0698 C8H9+ 1 105.0699 -0.53
+  106.0649 C7H8N+ 1 106.0651 -1.98
+  107.0492 C7H7O+ 1 107.0491 0.41
+  107.0855 C8H11+ 1 107.0855 0.19
+  109.0648 C7H9O+ 1 109.0648 -0.02
+  110.0601 C6H8NO+ 1 110.06 0.32
+  111.0918 C6H11N2+ 1 111.0917 0.93
+  112.0393 C5H6NO2+ 1 112.0393 0
+  112.0756 C6H10NO+ 1 112.0757 -0.42
+  113.0708 C5H9N2O+ 1 113.0709 -1.08
+  115.0542 C9H7+ 1 115.0542 -0.06
+  115.0865 C5H11N2O+ 1 115.0866 -0.57
+  116.0705 C5H10NO2+ 1 116.0706 -0.54
+  117.0699 C9H9+ 1 117.0699 0.49
+  118.0652 C8H8N+ 1 118.0651 0.24
+  119.0491 C8H7O+ 1 119.0491 0.07
+  121.0648 C8H9O+ 1 121.0648 0.27
+  121.1013 C9H13+ 1 121.1012 0.89
+  124.0756 C7H10NO+ 1 124.0757 -0.42
+  125.0709 C6H9N2O+ 1 125.0709 -0.12
+  125.0961 C8H13O+ 1 125.0961 0.02
+  126.055 C6H8NO2+ 1 126.055 0.07
+  126.0914 C7H12NO+ 1 126.0913 0.31
+  127.0866 C6H11N2O+ 1 127.0866 -0.13
+  131.0855 C10H11+ 1 131.0855 -0.18
+  132.0807 C9H10N+ 1 132.0808 -0.23
+  134.0601 C8H8NO+ 1 134.06 0.35
+  134.0963 C9H12N+ 1 134.0964 -0.74
+  135.0678 C8H9NO+ 1 135.0679 -0.44
+  137.0709 C7H9N2O+ 1 137.0709 -0.37
+  137.0959 C9H13O+ 1 137.0961 -1.41
+  138.1276 C9H16N+ 1 138.1277 -0.89
+  139.0501 C6H7N2O2+ 1 139.0502 -1.05
+  139.0864 C7H11N2O+ 1 139.0866 -1.23
+  140.0818 C6H10N3O+ 1 140.0818 -0.32
+  141.0657 C6H9N2O2+ 1 141.0659 -1.24
+  145.1012 C11H13+ 1 145.1012 0.12
+  150.0913 C9H12NO+ 1 150.0913 -0.5
+  151.1115 C10H15O+ 1 151.1117 -1.58
+  153.0654 C7H9N2O2+ 1 153.0659 -2.69
+  153.102 C8H13N2O+ 1 153.1022 -1.35
+  155.0451 C6H7N2O3+ 1 155.0451 0.15
+  155.0813 C7H11N2O2+ 1 155.0815 -1.19
+  163.1113 C11H15O+ 1 163.1117 -2.57
+  165.0545 C9H9O3+ 1 165.0546 -0.68
+  167.0814 C8H11N2O2+ 1 167.0815 -0.69
+  167.118 C9H15N2O+ 1 167.1179 0.72
+  168.1383 C10H18NO+ 1 168.1383 0.29
+  169.0607 C7H9N2O3+ 1 169.0608 -0.55
+  171.0764 C7H11N2O3+ 1 171.0764 -0.37
+  180.1382 C11H18NO+ 1 180.1383 -0.77
+  181.0606 C8H9N2O3+ 1 181.0608 -0.71
+  183.0769 C8H11N2O3+ 1 183.0764 2.44
+  183.1492 C10H19N2O+ 1 183.1492 -0.16
+  186.1278 C13H16N+ 1 186.1277 0.51
+  190.1226 C12H16NO+ 1 190.1226 -0.38
+  191.1051 C10H13N3O+ 1 191.1053 -0.88
+  192.1015 C11H14NO2+ 2 192.1019 -2.26
+  195.1124 C10H15N2O2+ 2 195.1128 -2.05
+  196.0964 C10H14NO3+ 2 196.0968 -2.37
+  198.1485 C11H20NO2+ 2 198.1489 -2.02
+  208.1326 C12H18NO2+ 2 208.1332 -2.74
+  220.1089 C13H16O3+ 2 220.1094 -2.23
+PK$NUM_PEAK: 63
+PK$PEAK: m/z int. rel.int.
+  105.0698 170997 26
+  106.0649 75318 11
+  107.0492 435090 68
+  107.0855 293204.3 46
+  109.0648 159520.5 25
+  110.0601 147429 23
+  111.0918 78619.8 12
+  112.0393 90960.6 14
+  112.0756 156813.5 24
+  113.0708 77784.7 12
+  115.0542 187173.5 29
+  115.0865 159074 25
+  116.0705 153744 24
+  117.0699 795109.9 125
+  118.0652 73985.3 11
+  119.0491 454499.3 71
+  121.0648 242695.7 38
+  121.1013 95899.1 15
+  124.0756 127142.3 20
+  125.0709 139958.2 22
+  125.0961 283898.6 44
+  126.055 413045.3 64
+  126.0914 230027.1 36
+  127.0866 1177925.1 185
+  131.0855 80675.9 12
+  132.0807 90578.6 14
+  134.0601 194802.9 30
+  134.0963 456948.2 71
+  135.0678 877038.3 137
+  137.0709 154680.4 24
+  137.0959 112249.1 17
+  138.1276 121138.9 19
+  139.0501 91623.3 14
+  139.0864 211995.6 33
+  140.0818 80694.2 12
+  141.0657 177935.7 27
+  145.1012 142452 22
+  150.0913 6350040 999
+  151.1115 148475.4 23
+  153.0654 90162.8 14
+  153.102 137029.4 21
+  155.0451 157052.5 24
+  155.0813 407210 64
+  163.1113 142995.8 22
+  165.0545 153597.8 24
+  167.0814 128327.9 20
+  167.118 148387.5 23
+  168.1383 158850.1 24
+  169.0607 91587.6 14
+  171.0764 92827.7 14
+  180.1382 144943.6 22
+  181.0606 78790.9 12
+  183.0769 96278.2 15
+  183.1492 631510 99
+  186.1278 596552.2 93
+  190.1226 122893.9 19
+  191.1051 88436.7 13
+  192.1015 207519.8 32
+  195.1124 88104.1 13
+  196.0964 136135.8 21
+  198.1485 117474.5 18
+  208.1326 103013.2 16
+  220.1089 87984.3 13
+//
diff --git a/Eawag/MSBNK-MLU-ED032651.txt b/Eawag/MSBNK-MLU-ED032651.txt
new file mode 100644
index 0000000000..dec11d1475
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED032651.txt
@@ -0,0 +1,52 @@
+ACCESSION: MSBNK-MLU-ED032651
+RECORD_TITLE: Lyngbyazothrin D; LC-ESI-QFT; MS2; CE: 15%; R=17500; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], E. N. Zainuddin [dtc], S. Mundt [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 326
+CH$NAME: Lyngbyazothrin D
+CH$NAME: [1-[(3S,12S,19S,28S,31E,34S,37R,40S)-12-(3-amino-3-oxopropyl)-37-[(2S)-butan-2-yl]-31-ethylidene-15-hydroxy-28-[(1R)-1-hydroxyethyl]-34-(hydroxymethyl)-2,8,11,14,18,24,27,30,33,36,39-undecaoxo-25-(2-phenylethyl)-1,7,10,13,17,23,26,29,32,35,38-undecazatetracyclo[38.3.0.03,7.019,23]tritetracontan-16-yl]-4,5-dihydroxy-7-methyloctan-2-yl] 2-[acetyl(methyl)amino]-3-(4-hydroxyphenyl)propanoate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C73H107N13O21
+CH$EXACT_MASS: 1501.770447
+CH$SMILES: CC[C@H](C)[C@@H]1C(=O)N[C@H](C(=O)N/C(=C/C)/C(=O)N[C@H](C(=O)NC(C(=O)N2CCC[C@H]2C(=O)NC(C(C(=O)N[C@H](C(=O)NCC(=O)N3CCC[C@H]3C(=O)N4CCC[C@H]4C(=O)N1)CCC(=O)N)O)CC(CC(C(CC(C)C)O)O)OC(=O)C(CC5=CC=C(C=C5)O)N(C)C(=O)C)CCC6=CC=CC=C6)[C@@H](C)O)CO
+CH$IUPAC: InChI=1S/C73H107N13O21/c1-9-40(5)60-68(101)80-51(38-87)65(98)76-47(10-2)64(97)82-61(41(6)88)69(102)78-49(27-24-43-17-12-11-13-18-43)71(104)85-31-14-19-52(85)66(99)79-50(35-46(36-57(92)56(91)33-39(3)4)107-73(106)55(83(8)42(7)89)34-44-22-25-45(90)26-23-44)62(95)70(103)77-48(28-29-58(74)93)63(96)75-37-59(94)84-30-16-21-54(84)72(105)86-32-15-20-53(86)67(100)81-60/h10-13,17-18,22-23,25-26,39-41,46,48-57,60-62,87-88,90-92,95H,9,14-16,19-21,24,27-38H2,1-8H3,(H2,74,93)(H,75,96)(H,76,98)(H,77,103)(H,78,102)(H,79,99)(H,80,101)(H,81,100)(H,82,97)/b47-10+/t40-,41+,46?,48-,49?,50?,51-,52-,53-,54-,55?,56?,57?,60+,61-,62?/m0/s1
+CH$LINK: PUBCHEM CID:44254511
+CH$LINK: INCHIKEY XCGGFKXEWPNQFS-CRPGRYFWSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 103-1550
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.118 min
+MS$FOCUSED_ION: BASE_PEAK 1530.7732
+MS$FOCUSED_ION: PRECURSOR_M/Z 1500.7632
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 10244250.93
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0a4i-0000900000-f014315727d3df792e1c
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  1408.7159 C70H98N13O18- 3 1408.7158 0.07
+  1426.7266 C70H100N13O19- 2 1426.7264 0.13
+  1438.7275 C73H102N10O20- 2 1438.7277 -0.2
+  1456.7371 C71H102N13O20- 2 1456.737 0.12
+  1457.7335 C72H103N11O21- 1 1457.7335 -0.06
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  1408.7159 337265.6 48
+  1426.7266 1913519.5 277
+  1438.7275 1128789.8 163
+  1456.7371 6895737.5 999
+  1457.7335 790271.7 114
+//
diff --git a/Eawag/MSBNK-MLU-ED032652.txt b/Eawag/MSBNK-MLU-ED032652.txt
new file mode 100644
index 0000000000..0ce667797b
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED032652.txt
@@ -0,0 +1,52 @@
+ACCESSION: MSBNK-MLU-ED032652
+RECORD_TITLE: Lyngbyazothrin D; LC-ESI-QFT; MS2; CE: 20%; R=17500; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], E. N. Zainuddin [dtc], S. Mundt [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 326
+CH$NAME: Lyngbyazothrin D
+CH$NAME: [1-[(3S,12S,19S,28S,31E,34S,37R,40S)-12-(3-amino-3-oxopropyl)-37-[(2S)-butan-2-yl]-31-ethylidene-15-hydroxy-28-[(1R)-1-hydroxyethyl]-34-(hydroxymethyl)-2,8,11,14,18,24,27,30,33,36,39-undecaoxo-25-(2-phenylethyl)-1,7,10,13,17,23,26,29,32,35,38-undecazatetracyclo[38.3.0.03,7.019,23]tritetracontan-16-yl]-4,5-dihydroxy-7-methyloctan-2-yl] 2-[acetyl(methyl)amino]-3-(4-hydroxyphenyl)propanoate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C73H107N13O21
+CH$EXACT_MASS: 1501.770447
+CH$SMILES: CC[C@H](C)[C@@H]1C(=O)N[C@H](C(=O)N/C(=C/C)/C(=O)N[C@H](C(=O)NC(C(=O)N2CCC[C@H]2C(=O)NC(C(C(=O)N[C@H](C(=O)NCC(=O)N3CCC[C@H]3C(=O)N4CCC[C@H]4C(=O)N1)CCC(=O)N)O)CC(CC(C(CC(C)C)O)O)OC(=O)C(CC5=CC=C(C=C5)O)N(C)C(=O)C)CCC6=CC=CC=C6)[C@@H](C)O)CO
+CH$IUPAC: InChI=1S/C73H107N13O21/c1-9-40(5)60-68(101)80-51(38-87)65(98)76-47(10-2)64(97)82-61(41(6)88)69(102)78-49(27-24-43-17-12-11-13-18-43)71(104)85-31-14-19-52(85)66(99)79-50(35-46(36-57(92)56(91)33-39(3)4)107-73(106)55(83(8)42(7)89)34-44-22-25-45(90)26-23-44)62(95)70(103)77-48(28-29-58(74)93)63(96)75-37-59(94)84-30-16-21-54(84)72(105)86-32-15-20-53(86)67(100)81-60/h10-13,17-18,22-23,25-26,39-41,46,48-57,60-62,87-88,90-92,95H,9,14-16,19-21,24,27-38H2,1-8H3,(H2,74,93)(H,75,96)(H,76,98)(H,77,103)(H,78,102)(H,79,99)(H,80,101)(H,81,100)(H,82,97)/b47-10+/t40-,41+,46?,48-,49?,50?,51-,52-,53-,54-,55?,56?,57?,60+,61-,62?/m0/s1
+CH$LINK: PUBCHEM CID:44254511
+CH$LINK: INCHIKEY XCGGFKXEWPNQFS-CRPGRYFWSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 103-1550
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.118 min
+MS$FOCUSED_ION: BASE_PEAK 1530.7732
+MS$FOCUSED_ION: PRECURSOR_M/Z 1500.7632
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 10244250.93
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0a6r-0000900000-1219af973076344b559e
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  1408.7164 C70H98N13O18- 3 1408.7158 0.42
+  1426.7254 C70H100N13O19- 2 1426.7264 -0.73
+  1438.726 C73H102N10O20- 2 1438.7277 -1.21
+  1456.7368 C71H102N13O20- 2 1456.737 -0.13
+  1457.7318 C72H103N11O21- 1 1457.7335 -1.23
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  1408.7164 594640.7 554
+  1426.7254 1070599.1 999
+  1438.726 733492.2 684
+  1456.7368 873180.2 814
+  1457.7318 81508.9 76
+//
diff --git a/Eawag/MSBNK-MLU-ED035201.txt b/Eawag/MSBNK-MLU-ED035201.txt
new file mode 100644
index 0000000000..330486f305
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED035201.txt
@@ -0,0 +1,55 @@
+ACCESSION: MSBNK-MLU-ED035201
+RECORD_TITLE: Lyngbyazothrin A; LC-ESI-QFT; MS2; CE: 15%; R=17500; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], E. N. Zainuddin [dtc], S. Mundt [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 352
+CH$NAME: Lyngbyazothrin A
+CH$NAME: 3-[(3S,12S,19S,28S,31E,34S,37R,40S)-37-[(2S)-butan-2-yl]-31-ethylidene-15-hydroxy-28-[(1R)-1-hydroxyethyl]-34-(hydroxymethyl)-25-[2-(4-methoxyphenyl)ethyl]-2,8,11,14,18,24,27,30,33,36,39-undecaoxo-16-(2,4,5-trihydroxy-7-methyloctyl)-1,7,10,13,17,23,26,29,32,35,38-undecazatetracyclo[38.3.0.03,7.019,23]tritetracontan-12-yl]propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C62H96N12O19
+CH$EXACT_MASS: 1312.691469
+CH$SMILES: CC[C@H](C)[C@@H]1C(=O)N[C@H](C(=O)N/C(=C/C)/C(=O)N[C@H](C(=O)NC(C(=O)N2CCC[C@H]2C(=O)NC(C(C(=O)N[C@H](C(=O)NCC(=O)N3CCC[C@H]3C(=O)N4CCC[C@H]4C(=O)N1)CCC(=O)N)O)CC(CC(C(CC(C)C)O)O)O)CCC5=CC=C(C=C5)OC)[C@@H](C)O)CO
+CH$IUPAC: InChI=1S/C62H96N12O19/c1-8-33(5)50-58(88)69-42(31-75)55(85)65-38(9-2)54(84)71-51(34(6)76)59(89)67-40(21-18-35-16-19-37(93-7)20-17-35)61(91)73-25-10-13-43(73)56(86)68-41(28-36(77)29-47(79)46(78)27-32(3)4)52(82)60(90)66-39(22-23-48(63)80)53(83)64-30-49(81)72-24-12-15-45(72)62(92)74-26-11-14-44(74)57(87)70-50/h9,16-17,19-20,32-34,36,39-47,50-52,75-79,82H,8,10-15,18,21-31H2,1-7H3,(H2,63,80)(H,64,83)(H,65,85)(H,66,90)(H,67,89)(H,68,86)(H,69,88)(H,70,87)(H,71,84)/b38-9+/t33-,34+,36?,39-,40?,41?,42-,43-,44-,45-,46?,47?,50+,51-,52?/m0/s1
+CH$LINK: PUBCHEM CID:44254417
+CH$LINK: INCHIKEY ACFCYNJDAMJVRV-NPTOQFMUSA-N
+CH$LINK: CHEMSPIDER 28286673
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 90-1360
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.694 min
+MS$FOCUSED_ION: BASE_PEAK 657.3533
+MS$FOCUSED_ION: PRECURSOR_M/Z 1313.6987
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 165233481.16
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03di-0039000000-9f9ac6c5a8bf72b047f2
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  395.2287 C18H25N11+ 10 395.2289 -0.45
+  1277.6774 C62H93N12O17+ 1 1277.6776 -0.17
+  1278.6614 C62H92N11O18+ 1 1278.6616 -0.17
+  1295.6884 C62H95N12O18+ 1 1295.6882 0.15
+  1296.673 C62H94N11O19+ 1 1296.6722 0.61
+  1313.697 C62H97N12O19+ 1 1313.6987 -1.31
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  395.2287 2433971.2 12
+  1277.6774 6544352 34
+  1278.6614 6240346.5 33
+  1295.6884 53290764 284
+  1296.673 8507884 45
+  1313.697 187140912 999
+//
diff --git a/Eawag/MSBNK-MLU-ED035202.txt b/Eawag/MSBNK-MLU-ED035202.txt
new file mode 100644
index 0000000000..15fc268894
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED035202.txt
@@ -0,0 +1,81 @@
+ACCESSION: MSBNK-MLU-ED035202
+RECORD_TITLE: Lyngbyazothrin A; LC-ESI-QFT; MS2; CE: 20%; R=17500; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], E. N. Zainuddin [dtc], S. Mundt [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 352
+CH$NAME: Lyngbyazothrin A
+CH$NAME: 3-[(3S,12S,19S,28S,31E,34S,37R,40S)-37-[(2S)-butan-2-yl]-31-ethylidene-15-hydroxy-28-[(1R)-1-hydroxyethyl]-34-(hydroxymethyl)-25-[2-(4-methoxyphenyl)ethyl]-2,8,11,14,18,24,27,30,33,36,39-undecaoxo-16-(2,4,5-trihydroxy-7-methyloctyl)-1,7,10,13,17,23,26,29,32,35,38-undecazatetracyclo[38.3.0.03,7.019,23]tritetracontan-12-yl]propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C62H96N12O19
+CH$EXACT_MASS: 1312.691469
+CH$SMILES: CC[C@H](C)[C@@H]1C(=O)N[C@H](C(=O)N/C(=C/C)/C(=O)N[C@H](C(=O)NC(C(=O)N2CCC[C@H]2C(=O)NC(C(C(=O)N[C@H](C(=O)NCC(=O)N3CCC[C@H]3C(=O)N4CCC[C@H]4C(=O)N1)CCC(=O)N)O)CC(CC(C(CC(C)C)O)O)O)CCC5=CC=C(C=C5)OC)[C@@H](C)O)CO
+CH$IUPAC: InChI=1S/C62H96N12O19/c1-8-33(5)50-58(88)69-42(31-75)55(85)65-38(9-2)54(84)71-51(34(6)76)59(89)67-40(21-18-35-16-19-37(93-7)20-17-35)61(91)73-25-10-13-43(73)56(86)68-41(28-36(77)29-47(79)46(78)27-32(3)4)52(82)60(90)66-39(22-23-48(63)80)53(83)64-30-49(81)72-24-12-15-45(72)62(92)74-26-11-14-44(74)57(87)70-50/h9,16-17,19-20,32-34,36,39-47,50-52,75-79,82H,8,10-15,18,21-31H2,1-7H3,(H2,63,80)(H,64,83)(H,65,85)(H,66,90)(H,67,89)(H,68,86)(H,69,88)(H,70,87)(H,71,84)/b38-9+/t33-,34+,36?,39-,40?,41?,42-,43-,44-,45-,46?,47?,50+,51-,52?/m0/s1
+CH$LINK: PUBCHEM CID:44254417
+CH$LINK: INCHIKEY ACFCYNJDAMJVRV-NPTOQFMUSA-N
+CH$LINK: CHEMSPIDER 28286673
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 90-1360
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.694 min
+MS$FOCUSED_ION: BASE_PEAK 657.3533
+MS$FOCUSED_ION: PRECURSOR_M/Z 1313.6987
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 165233481.16
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03dj-0079000001-2d4bed4866e66c2116bf
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  367.2339 C18H31N4O4+ 9 367.234 -0.29
+  377.218 C19H29N4O4+ 11 377.2183 -0.87
+  395.2287 C18H25N11+ 10 395.2289 -0.38
+  478.2661 C23H36N5O6+ 13 478.266 0.16
+  487.276 C21H33N11O3+ 13 487.2762 -0.47
+  526.2873 C24H40N5O8+ 14 526.2871 0.23
+  833.4761 C53H57N10+ 24 833.4762 -0.17
+  851.4873 C41H73NO17+ 22 851.4873 0
+  920.508 C56H62N11O2+ 22 920.5082 -0.29
+  938.5186 C56H64N11O3+ 22 938.5188 -0.23
+  1021.5559 C60H69N12O4+ 18 1021.5559 -0.06
+  1260.6507 C62H90N11O17+ 1 1260.6511 -0.3
+  1267.6915 C61H95N12O17+ 1 1267.6933 -1.43
+  1277.6774 C62H93N12O17+ 1 1277.6776 -0.17
+  1278.6612 C62H92N11O18+ 1 1278.6616 -0.36
+  1285.7034 C61H97N12O18+ 1 1285.7038 -0.34
+  1295.6875 C62H95N12O18+ 1 1295.6882 -0.51
+  1296.672 C62H94N11O19+ 1 1296.6722 -0.14
+  1313.6971 C62H97N12O19+ 1 1313.6987 -1.22
+PK$NUM_PEAK: 19
+PK$PEAK: m/z int. rel.int.
+  367.2339 1512200.8 16
+  377.218 2622806.5 28
+  395.2287 8976136 96
+  478.2661 2857850.2 30
+  487.276 5551698 59
+  526.2873 966718.9 10
+  833.4761 2268295.5 24
+  851.4873 2539236.2 27
+  920.508 6882951.5 73
+  938.5186 6492721.5 69
+  1021.5559 6027692.5 64
+  1260.6507 2432807.2 26
+  1267.6915 2458104.2 26
+  1277.6774 13377758 143
+  1278.6612 6505414 69
+  1285.7034 4212441.5 45
+  1295.6875 51907728 557
+  1296.672 4893153 52
+  1313.6971 92959640 999
+//
diff --git a/Eawag/MSBNK-MLU-ED035203.txt b/Eawag/MSBNK-MLU-ED035203.txt
new file mode 100644
index 0000000000..e3badbac2d
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED035203.txt
@@ -0,0 +1,175 @@
+ACCESSION: MSBNK-MLU-ED035203
+RECORD_TITLE: Lyngbyazothrin A; LC-ESI-QFT; MS2; CE: 25%; R=17500; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], E. N. Zainuddin [dtc], S. Mundt [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 352
+CH$NAME: Lyngbyazothrin A
+CH$NAME: 3-[(3S,12S,19S,28S,31E,34S,37R,40S)-37-[(2S)-butan-2-yl]-31-ethylidene-15-hydroxy-28-[(1R)-1-hydroxyethyl]-34-(hydroxymethyl)-25-[2-(4-methoxyphenyl)ethyl]-2,8,11,14,18,24,27,30,33,36,39-undecaoxo-16-(2,4,5-trihydroxy-7-methyloctyl)-1,7,10,13,17,23,26,29,32,35,38-undecazatetracyclo[38.3.0.03,7.019,23]tritetracontan-12-yl]propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C62H96N12O19
+CH$EXACT_MASS: 1312.691469
+CH$SMILES: CC[C@H](C)[C@@H]1C(=O)N[C@H](C(=O)N/C(=C/C)/C(=O)N[C@H](C(=O)NC(C(=O)N2CCC[C@H]2C(=O)NC(C(C(=O)N[C@H](C(=O)NCC(=O)N3CCC[C@H]3C(=O)N4CCC[C@H]4C(=O)N1)CCC(=O)N)O)CC(CC(C(CC(C)C)O)O)O)CCC5=CC=C(C=C5)OC)[C@@H](C)O)CO
+CH$IUPAC: InChI=1S/C62H96N12O19/c1-8-33(5)50-58(88)69-42(31-75)55(85)65-38(9-2)54(84)71-51(34(6)76)59(89)67-40(21-18-35-16-19-37(93-7)20-17-35)61(91)73-25-10-13-43(73)56(86)68-41(28-36(77)29-47(79)46(78)27-32(3)4)52(82)60(90)66-39(22-23-48(63)80)53(83)64-30-49(81)72-24-12-15-45(72)62(92)74-26-11-14-44(74)57(87)70-50/h9,16-17,19-20,32-34,36,39-47,50-52,75-79,82H,8,10-15,18,21-31H2,1-7H3,(H2,63,80)(H,64,83)(H,65,85)(H,66,90)(H,67,89)(H,68,86)(H,69,88)(H,70,87)(H,71,84)/b38-9+/t33-,34+,36?,39-,40?,41?,42-,43-,44-,45-,46?,47?,50+,51-,52?/m0/s1
+CH$LINK: PUBCHEM CID:44254417
+CH$LINK: INCHIKEY ACFCYNJDAMJVRV-NPTOQFMUSA-N
+CH$LINK: CHEMSPIDER 28286673
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 90-1360
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.694 min
+MS$FOCUSED_ION: BASE_PEAK 657.3533
+MS$FOCUSED_ION: PRECURSOR_M/Z 1313.6987
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 165233481.16
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-01y2-1289510002-de7aeb782fe30bad79b5
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  102.279 C3H36NO+ 1 102.2791 -1.43
+  115.0865 C5H11N2O+ 1 115.0866 -0.77
+  121.0642 C8H9O+ 1 121.0648 -4.65
+  126.0546 C6H8NO2+ 1 126.055 -3.02
+  127.0864 C6H11N2O+ 1 127.0866 -1.69
+  155.0814 C7H11N2O2+ 1 155.0815 -0.99
+  164.1068 C10H14NO+ 1 164.107 -1.19
+  167.1175 C9H15N2O+ 1 167.1179 -2.11
+  183.1487 C10H19N2O+ 2 183.1492 -2.49
+  185.0912 C8H13N2O3+ 2 185.0921 -4.87
+  195.1125 C10H15N2O2+ 1 195.1128 -1.5
+  211.1442 C11H19N2O2+ 1 211.1441 0.65
+  212.1397 C10H18N3O2+ 2 212.1394 1.63
+  216.1373 C14H18NO+ 2 216.1383 -4.58
+  216.1588 C11H22NO3+ 2 216.1594 -2.72
+  226.1424 C10H18N4O2+ 1 226.1424 0.03
+  252.1342 C12H18N3O3+ 2 252.1343 -0.46
+  254.1134 C11H16N3O4+ 2 254.1135 -0.56
+  265.1544 C14H21N2O3+ 4 265.1547 -1.08
+  266.1136 C12H16N3O4+ 3 266.1135 0.31
+  269.1602 C12H21N4O3+ 3 269.1608 -2.32
+  270.1807 C13H24N3O3+ 3 270.1812 -1.9
+  280.1657 C14H22N3O3+ 4 280.1656 0.54
+  280.2013 H32N4O12+ 5 280.2011 0.64
+  283.1407 C12H19N4O4+ 4 283.1401 2.2
+  295.2013 C16H27N2O3+ 6 295.2016 -1.05
+  298.1762 C14H24N3O4+ 6 298.1761 0.12
+  308.1968 C16H26N3O3+ 7 308.1969 -0.06
+  313.2122 C16H29N2O4+ 7 313.2122 0.18
+  323.1965 C17H27N2O4+ 7 323.1965 -0.16
+  325.223 C16H29N4O3+ 7 325.2234 -1.27
+  341.2072 C17H29N2O5+ 8 341.2071 0.28
+  358.2333 C16H26N10+ 9 358.2336 -0.88
+  363.1648 C15H21N7O4+ 10 363.165 -0.47
+  363.2035 C5H35N2O15+ 8 363.2032 0.87
+  367.234 C18H31N4O4+ 9 367.234 0.04
+  377.218 C19H29N4O4+ 11 377.2183 -0.79
+  381.2133 C18H29N4O5+ 11 381.2132 0.07
+  395.2288 C18H25N11+ 11 395.2289 -0.15
+  441.2712 C7H39N9O12+ 11 441.2713 -0.21
+  460.2558 C9H36N10O11+ 11 460.256 -0.4
+  478.2662 C23H36N5O6+ 13 478.266 0.35
+  487.276 C21H33N11O3+ 13 487.2762 -0.47
+  526.2873 C24H40N5O8+ 14 526.2871 0.23
+  544.2971 C38H40O3+ 15 544.2972 -0.18
+  552.3061 C16H48N4O16+ 14 552.306 0.27
+  561.3038 C14H49N4O18+ 16 561.3036 0.32
+  580.3106 C14H46N9O15+ 17 580.3108 -0.32
+  623.34 C29H47N6O9+ 16 623.3399 0.1
+  734.391 C42H46N12O+ 21 734.3912 -0.29
+  805.4811 C53H63N3O4+ 24 805.4813 -0.28
+  920.5082 C56H62N11O2+ 23 920.5082 -0.02
+  938.5187 C56H64N11O3+ 23 938.5188 -0.16
+  968.51 C49H72N6O14+ 21 968.5101 -0.06
+  1021.5556 C60H69N12O4+ 20 1021.5559 -0.3
+  1066.5814 C53H80N9O14+ 15 1066.5819 -0.53
+  1104.5927 C51H82N11O16+ 13 1104.5936 -0.78
+  1128.6164 C52H88N8O19+ 10 1128.616 0.3
+  1260.6502 C62H90N11O17+ 1 1260.6511 -0.69
+  1267.6924 C61H95N12O17+ 1 1267.6933 -0.66
+  1277.6774 C62H93N12O17+ 1 1277.6776 -0.17
+  1278.6609 C62H92N11O18+ 1 1278.6616 -0.55
+  1285.703 C61H97N12O18+ 1 1285.7038 -0.62
+  1295.6876 C62H95N12O18+ 1 1295.6882 -0.42
+  1296.6675 C62H94N11O19+ 1 1296.6722 -3.62
+  1313.6975 C62H97N12O19+ 1 1313.6987 -0.94
+PK$NUM_PEAK: 66
+PK$PEAK: m/z int. rel.int.
+  102.279 535585.7 31
+  115.0865 2130030.5 123
+  121.0642 893122.9 51
+  126.0546 282195 16
+  127.0864 901356.1 52
+  155.0814 1754649.2 102
+  164.1068 1553548.9 90
+  167.1175 484618 28
+  183.1487 870064.2 50
+  185.0912 180638.2 10
+  195.1125 465587.4 27
+  211.1442 590493.2 34
+  212.1397 600686.8 34
+  216.1373 210798.2 12
+  216.1588 288051.2 16
+  226.1424 198962.6 11
+  252.1342 1396128.9 81
+  254.1134 488518.4 28
+  265.1544 784011.5 45
+  266.1136 751447.9 43
+  269.1602 178114.5 10
+  270.1807 255964.2 14
+  280.1657 502268.9 29
+  280.2013 2496111.2 145
+  283.1407 312000.1 18
+  295.2013 1160520.8 67
+  298.1762 1398003.8 81
+  308.1968 3957018.8 230
+  313.2122 6415665 373
+  323.1965 175776.1 10
+  325.223 967799.7 56
+  341.2072 861706.8 50
+  358.2333 2612336.5 152
+  363.1648 667223.6 38
+  363.2035 648390.3 37
+  367.234 2839398.8 165
+  377.218 4742942 276
+  381.2133 1172966.9 68
+  395.2288 15327729 892
+  441.2712 1046045.6 60
+  460.2558 3864736.5 224
+  478.2662 11720683 682
+  487.276 16052371 934
+  526.2873 4405581 256
+  544.2971 3251016 189
+  552.3061 955504.8 55
+  561.3038 2196774.2 127
+  580.3106 1075489.5 62
+  623.34 2036998.6 118
+  734.391 220065.6 12
+  805.4811 2556824.8 148
+  920.5082 8340145 485
+  938.5187 5227311.5 304
+  968.51 632892.4 36
+  1021.5556 9274932 539
+  1066.5814 206970.6 12
+  1104.5927 3503741 203
+  1128.6164 1688490.9 98
+  1260.6502 1423712.5 82
+  1267.6924 4773386 277
+  1277.6774 7256136 422
+  1278.6609 1930114.2 112
+  1285.703 7159708 416
+  1295.6876 16628508 967
+  1296.6675 945855.9 55
+  1313.6975 17164474 999
+//
diff --git a/Eawag/MSBNK-MLU-ED035204.txt b/Eawag/MSBNK-MLU-ED035204.txt
new file mode 100644
index 0000000000..c8bd328b02
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED035204.txt
@@ -0,0 +1,283 @@
+ACCESSION: MSBNK-MLU-ED035204
+RECORD_TITLE: Lyngbyazothrin A; LC-ESI-QFT; MS2; CE: 30%; R=17500; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], E. N. Zainuddin [dtc], S. Mundt [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 352
+CH$NAME: Lyngbyazothrin A
+CH$NAME: 3-[(3S,12S,19S,28S,31E,34S,37R,40S)-37-[(2S)-butan-2-yl]-31-ethylidene-15-hydroxy-28-[(1R)-1-hydroxyethyl]-34-(hydroxymethyl)-25-[2-(4-methoxyphenyl)ethyl]-2,8,11,14,18,24,27,30,33,36,39-undecaoxo-16-(2,4,5-trihydroxy-7-methyloctyl)-1,7,10,13,17,23,26,29,32,35,38-undecazatetracyclo[38.3.0.03,7.019,23]tritetracontan-12-yl]propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C62H96N12O19
+CH$EXACT_MASS: 1312.691469
+CH$SMILES: CC[C@H](C)[C@@H]1C(=O)N[C@H](C(=O)N/C(=C/C)/C(=O)N[C@H](C(=O)NC(C(=O)N2CCC[C@H]2C(=O)NC(C(C(=O)N[C@H](C(=O)NCC(=O)N3CCC[C@H]3C(=O)N4CCC[C@H]4C(=O)N1)CCC(=O)N)O)CC(CC(C(CC(C)C)O)O)O)CCC5=CC=C(C=C5)OC)[C@@H](C)O)CO
+CH$IUPAC: InChI=1S/C62H96N12O19/c1-8-33(5)50-58(88)69-42(31-75)55(85)65-38(9-2)54(84)71-51(34(6)76)59(89)67-40(21-18-35-16-19-37(93-7)20-17-35)61(91)73-25-10-13-43(73)56(86)68-41(28-36(77)29-47(79)46(78)27-32(3)4)52(82)60(90)66-39(22-23-48(63)80)53(83)64-30-49(81)72-24-12-15-45(72)62(92)74-26-11-14-44(74)57(87)70-50/h9,16-17,19-20,32-34,36,39-47,50-52,75-79,82H,8,10-15,18,21-31H2,1-7H3,(H2,63,80)(H,64,83)(H,65,85)(H,66,90)(H,67,89)(H,68,86)(H,69,88)(H,70,87)(H,71,84)/b38-9+/t33-,34+,36?,39-,40?,41?,42-,43-,44-,45-,46?,47?,50+,51-,52?/m0/s1
+CH$LINK: PUBCHEM CID:44254417
+CH$LINK: INCHIKEY ACFCYNJDAMJVRV-NPTOQFMUSA-N
+CH$LINK: CHEMSPIDER 28286673
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 90-1360
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.694 min
+MS$FOCUSED_ION: BASE_PEAK 657.3533
+MS$FOCUSED_ION: PRECURSOR_M/Z 1313.6987
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 165233481.16
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-08i1-0569410010-50d9f6d4b6d0a311c779
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  98.0598 C5H8NO+ 1 98.06 -1.94
+  99.08 C6H11O+ 1 99.0804 -4.29
+  102.2795 C3H36NO+ 1 102.2791 3.64
+  112.0757 C6H10NO+ 1 112.0757 -0.28
+  115.0866 C5H11N2O+ 1 115.0866 -0.18
+  116.0706 C5H10NO2+ 1 116.0706 -0.01
+  121.0645 C8H9O+ 1 121.0648 -2
+  125.0955 C8H13O+ 1 125.0961 -4.44
+  126.0551 C6H8NO2+ 1 126.055 1.4
+  126.0913 C7H12NO+ 1 126.0913 -0.06
+  127.0865 C6H11N2O+ 1 127.0866 -0.61
+  130.0494 C5H8NO3+ 1 130.0499 -3.87
+  138.1271 C9H16N+ 1 138.1277 -4.53
+  147.0803 C10H11O+ 1 147.0804 -1.03
+  153.102 C8H13N2O+ 1 153.1022 -1.25
+  155.0814 C7H11N2O2+ 1 155.0815 -0.79
+  163.1117 C11H15O+ 1 163.1117 -0.14
+  164.1069 C10H14NO+ 1 164.107 -0.45
+  167.081 C8H11N2O2+ 1 167.0815 -2.88
+  167.1179 C9H15N2O+ 1 167.1179 0.08
+  168.138 C10H18NO+ 1 168.1383 -1.98
+  169.1222 C10H17O2+ 1 169.1223 -0.81
+  171.1127 C8H15N2O2+ 1 171.1128 -0.6
+  181.0971 C9H13N2O2+ 1 181.0972 -0.42
+  183.0765 C8H11N2O3+ 1 183.0764 0.44
+  183.1492 C10H19N2O+ 1 183.1492 0.01
+  185.0919 C8H13N2O3+ 1 185.0921 -0.75
+  186.0873 C7H12N3O3+ 1 186.0873 -0.29
+  186.1489 C10H20NO2+ 1 186.1489 0.13
+  190.1222 C12H16NO+ 2 190.1226 -2.14
+  191.1064 C12H15O2+ 1 191.1067 -1.43
+  195.1127 C10H15N2O2+ 1 195.1128 -0.72
+  197.1285 C10H17N2O2+ 1 197.1285 0.2
+  199.1074 C9H15N2O3+ 1 199.1077 -1.54
+  201.1236 C9H17N2O3+ 1 201.1234 1.34
+  208.1335 C12H18NO2+ 1 208.1332 1.51
+  211.1442 C11H19N2O2+ 1 211.1441 0.51
+  212.1393 C10H18N3O2+ 1 212.1394 -0.32
+  213.1232 C10H17N2O3+ 1 213.1234 -0.76
+  214.0821 C8H12N3O4+ 1 214.0822 -0.67
+  216.138 C14H18NO+ 3 216.1383 -1.33
+  216.1594 C11H22NO3+ 1 216.1594 -0.32
+  223.1437 C12H19N2O2+ 2 223.1441 -1.65
+  224.1033 C10H14N3O3+ 2 224.103 1.64
+  224.1394 C11H18N3O2+ 1 224.1394 0.24
+  226.1438 C12H20NO3+ 1 226.1438 0.04
+  228.0974 C9H14N3O4+ 2 228.0979 -2.06
+  228.1705 C11H22N3O2+ 1 228.1707 -0.79
+  234.0869 C11H12N3O3+ 2 234.0873 -1.82
+  238.1189 C11H16N3O3+ 2 238.1186 1.01
+  244.0932 C9H14N3O5+ 4 244.0928 1.71
+  244.1542 C12H22NO4+ 2 244.1543 -0.66
+  249.1958 C15H25N2O+ 5 249.1961 -1.17
+  250.1181 C12H16N3O3+ 2 250.1186 -2.04
+  252.1343 C12H18N3O3+ 1 252.1343 0.26
+  254.1137 C11H16N3O4+ 3 254.1135 0.58
+  262.1655 C12H24NO5+ 4 262.1649 2.45
+  264.134 C13H18N3O3+ 3 264.1343 -1.16
+  265.1546 C14H21N2O3+ 4 265.1547 -0.28
+  266.1136 C12H16N3O4+ 3 266.1135 0.42
+  266.1486 C11H18N6O2+ 1 266.1486 0.04
+  269.1609 C12H21N4O3+ 2 269.1608 0.29
+  271.1648 C13H23N2O4+ 3 271.1652 -1.57
+  272.1241 C11H18N3O5+ 5 272.1241 0.01
+  275.1393 CH21N7O9+ 4 275.1395 -0.8
+  277.1906 C16H25N2O2+ 6 277.1911 -1.48
+  280.202 C15H26N3O2+ 6 280.202 0.18
+  281.1242 C12H17N4O4+ 3 281.1244 -0.98
+  283.1399 C12H19N4O4+ 3 283.1401 -0.61
+  293.1501 C2H29O15+ 7 293.1501 0.1
+  294.1086 C13H16N3O5+ 5 294.1084 0.5
+  294.1811 C13H22N6O2+ 6 294.1799 4.18
+  295.2017 C16H27N2O3+ 6 295.2016 0.4
+  298.1763 C14H24N3O4+ 5 298.1761 0.63
+  301.1528 H25N6O12+ 6 301.1525 1
+  308.1969 C16H26N3O3+ 7 308.1969 0.23
+  311.1347 C12H13N11+ 5 311.135 -1.07
+  313.2122 C16H29N2O4+ 7 313.2122 -0.02
+  315.1343 C3H21N7O10+ 8 315.1344 -0.45
+  323.1966 C17H27N2O4+ 7 323.1965 0.21
+  325.2231 C16H29N4O3+ 7 325.2234 -1.08
+  326.2081 C3H36NO15+ 9 326.2079 0.42
+  331.1681 C21H21N3O+ 9 331.1679 0.7
+  339.1673 C16H19N8O+ 7 339.1676 -1.06
+  340.223 C17H30N3O4+ 8 340.2231 -0.33
+  341.2072 C17H29N2O5+ 8 341.2071 0.19
+  355.1875 C18H23N6O2+ 8 355.1877 -0.51
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+  526.2872 C24H40N5O8+ 14 526.2871 0.11
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+  1021.5556 C60H69N12O4+ 20 1021.5559 -0.36
+  1069.5491 C57H77N6O14+ 15 1069.5492 -0.09
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+  1268.6739 C61H94N11O18+ 1 1268.6773 -2.69
+  1285.7056 C61H97N12O18+ 1 1285.7038 1.37
+  1295.6859 C62H95N12O18+ 1 1295.6882 -1.74
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+//
diff --git a/Eawag/MSBNK-MLU-ED035205.txt b/Eawag/MSBNK-MLU-ED035205.txt
new file mode 100644
index 0000000000..8b02c1a0cc
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED035205.txt
@@ -0,0 +1,329 @@
+ACCESSION: MSBNK-MLU-ED035205
+RECORD_TITLE: Lyngbyazothrin A; LC-ESI-QFT; MS2; CE: 40%; R=17500; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], E. N. Zainuddin [dtc], S. Mundt [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 352
+CH$NAME: Lyngbyazothrin A
+CH$NAME: 3-[(3S,12S,19S,28S,31E,34S,37R,40S)-37-[(2S)-butan-2-yl]-31-ethylidene-15-hydroxy-28-[(1R)-1-hydroxyethyl]-34-(hydroxymethyl)-25-[2-(4-methoxyphenyl)ethyl]-2,8,11,14,18,24,27,30,33,36,39-undecaoxo-16-(2,4,5-trihydroxy-7-methyloctyl)-1,7,10,13,17,23,26,29,32,35,38-undecazatetracyclo[38.3.0.03,7.019,23]tritetracontan-12-yl]propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C62H96N12O19
+CH$EXACT_MASS: 1312.691469
+CH$SMILES: CC[C@H](C)[C@@H]1C(=O)N[C@H](C(=O)N/C(=C/C)/C(=O)N[C@H](C(=O)NC(C(=O)N2CCC[C@H]2C(=O)NC(C(C(=O)N[C@H](C(=O)NCC(=O)N3CCC[C@H]3C(=O)N4CCC[C@H]4C(=O)N1)CCC(=O)N)O)CC(CC(C(CC(C)C)O)O)O)CCC5=CC=C(C=C5)OC)[C@@H](C)O)CO
+CH$IUPAC: InChI=1S/C62H96N12O19/c1-8-33(5)50-58(88)69-42(31-75)55(85)65-38(9-2)54(84)71-51(34(6)76)59(89)67-40(21-18-35-16-19-37(93-7)20-17-35)61(91)73-25-10-13-43(73)56(86)68-41(28-36(77)29-47(79)46(78)27-32(3)4)52(82)60(90)66-39(22-23-48(63)80)53(83)64-30-49(81)72-24-12-15-45(72)62(92)74-26-11-14-44(74)57(87)70-50/h9,16-17,19-20,32-34,36,39-47,50-52,75-79,82H,8,10-15,18,21-31H2,1-7H3,(H2,63,80)(H,64,83)(H,65,85)(H,66,90)(H,67,89)(H,68,86)(H,69,88)(H,70,87)(H,71,84)/b38-9+/t33-,34+,36?,39-,40?,41?,42-,43-,44-,45-,46?,47?,50+,51-,52?/m0/s1
+CH$LINK: PUBCHEM CID:44254417
+CH$LINK: INCHIKEY ACFCYNJDAMJVRV-NPTOQFMUSA-N
+CH$LINK: CHEMSPIDER 28286673
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 90-1360
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.694 min
+MS$FOCUSED_ION: BASE_PEAK 657.3533
+MS$FOCUSED_ION: PRECURSOR_M/Z 1313.6987
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 165233481.16
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0459-0952000000-52fc0f40dc12c6715c16
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
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+  101.0709 C4H9N2O+ 1 101.0709 -0.54
+  107.0492 C7H7O+ 1 107.0491 0.48
+  107.0856 C8H11+ 1 107.0855 0.26
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+  112.0394 C5H6NO2+ 1 112.0393 1.02
+  112.0757 C6H10NO+ 1 112.0757 0.06
+  113.0711 C5H9N2O+ 1 113.0709 1.14
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+  126.0913 C7H12NO+ 1 126.0913 -0.12
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+  157.097 C7H13N2O2+ 1 157.0972 -0.7
+  159.0764 C6H11N2O3+ 1 159.0764 -0.07
+  163.1116 C11H15O+ 1 163.1117 -0.98
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+  169.0604 C7H9N2O3+ 1 169.0608 -1.9
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+  171.1127 C8H15N2O2+ 1 171.1128 -0.51
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+  173.1281 C8H17N2O2+ 1 173.1285 -1.93
+  180.1384 C11H18NO+ 1 180.1383 0.41
+  181.0972 C9H13N2O2+ 1 181.0972 0.25
+  181.1208 C9H15N3O+ 1 181.121 -1.04
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+  183.1492 C10H19N2O+ 1 183.1492 0.01
+  185.0921 C8H13N2O3+ 1 185.0921 0.07
+  186.0873 C7H12N3O3+ 1 186.0873 0.04
+  186.1488 C10H20NO2+ 1 186.1489 -0.28
+  187.0712 C7H11N2O4+ 1 187.0713 -0.88
+  190.1226 C12H16NO+ 1 190.1226 -0.05
+  191.1063 C12H15O2+ 1 191.1067 -1.67
+  193.061 C9H9N2O3+ 1 193.0608 1.16
+  193.0971 C10H13N2O2+ 1 193.0972 -0.31
+  193.1202 C8H13N6+ 2 193.1196 3.22
+  195.1128 C10H15N2O2+ 1 195.1128 0.22
+  195.1492 C11H19N2O+ 1 195.1492 0.18
+  197.1283 C10H17N2O2+ 1 197.1285 -0.65
+  198.1488 C11H20NO2+ 1 198.1489 -0.17
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+  212.1393 C10H18N3O2+ 1 212.1394 -0.1
+  213.1233 C10H17N2O3+ 1 213.1234 -0.4
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+  220.108 C11H14N3O2+ 1 220.1081 -0.43
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+  223.1442 C12H19N2O2+ 1 223.1441 0.54
+  224.1035 C10H14N3O3+ 2 224.103 2.32
+  224.1387 C11H18N3O2+ 2 224.1394 -2.89
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+  226.1434 C12H20NO3+ 2 226.1438 -1.65
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+  250.1189 C12H16N3O3+ 2 250.1186 0.95
+  252.1343 C12H18N3O3+ 1 252.1343 -0.04
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+  254.114 C11H16N3O4+ 3 254.1135 1.66
+  261.1815 C12H25N2O4+ 3 261.1809 2.47
+  262.1654 C12H24NO5+ 3 262.1649 1.75
+  264.1339 C13H18N3O3+ 3 264.1343 -1.27
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+  266.1491 C11H18N6O2+ 3 266.1486 2.11
+  267.2064 C15H27N2O2+ 5 267.2067 -1.06
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+  281.1244 C12H17N4O4+ 5 281.1244 -0.22
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+  283.2022 C2H35O14+ 6 283.2021 0.12
+  293.1501 C2H29O15+ 7 293.1501 0
+  294.1085 C13H16N3O5+ 6 294.1084 0.19
+  294.1785 C13H22N6O2+ 5 294.1799 -4.74
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+  301.1527 H25N6O12+ 6 301.1525 0.6
+  308.1968 C16H26N3O3+ 7 308.1969 -0.26
+  311.135 C12H13N11+ 7 311.135 -0.09
+  313.2121 C16H29N2O4+ 7 313.2122 -0.12
+  325.2163 C20H27N3O+ 6 325.2149 4.48
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+  457.2299 C7H41N2O19+ 13 457.2298 0.19
+  459.2849 C11H45N3O15+ 11 459.2845 0.79
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+//
diff --git a/Eawag/MSBNK-MLU-ED035206.txt b/Eawag/MSBNK-MLU-ED035206.txt
new file mode 100644
index 0000000000..b37199a12e
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED035206.txt
@@ -0,0 +1,297 @@
+ACCESSION: MSBNK-MLU-ED035206
+RECORD_TITLE: Lyngbyazothrin A; LC-ESI-QFT; MS2; CE: 50%; R=17500; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], E. N. Zainuddin [dtc], S. Mundt [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 352
+CH$NAME: Lyngbyazothrin A
+CH$NAME: 3-[(3S,12S,19S,28S,31E,34S,37R,40S)-37-[(2S)-butan-2-yl]-31-ethylidene-15-hydroxy-28-[(1R)-1-hydroxyethyl]-34-(hydroxymethyl)-25-[2-(4-methoxyphenyl)ethyl]-2,8,11,14,18,24,27,30,33,36,39-undecaoxo-16-(2,4,5-trihydroxy-7-methyloctyl)-1,7,10,13,17,23,26,29,32,35,38-undecazatetracyclo[38.3.0.03,7.019,23]tritetracontan-12-yl]propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C62H96N12O19
+CH$EXACT_MASS: 1312.691469
+CH$SMILES: CC[C@H](C)[C@@H]1C(=O)N[C@H](C(=O)N/C(=C/C)/C(=O)N[C@H](C(=O)NC(C(=O)N2CCC[C@H]2C(=O)NC(C(C(=O)N[C@H](C(=O)NCC(=O)N3CCC[C@H]3C(=O)N4CCC[C@H]4C(=O)N1)CCC(=O)N)O)CC(CC(C(CC(C)C)O)O)O)CCC5=CC=C(C=C5)OC)[C@@H](C)O)CO
+CH$IUPAC: InChI=1S/C62H96N12O19/c1-8-33(5)50-58(88)69-42(31-75)55(85)65-38(9-2)54(84)71-51(34(6)76)59(89)67-40(21-18-35-16-19-37(93-7)20-17-35)61(91)73-25-10-13-43(73)56(86)68-41(28-36(77)29-47(79)46(78)27-32(3)4)52(82)60(90)66-39(22-23-48(63)80)53(83)64-30-49(81)72-24-12-15-45(72)62(92)74-26-11-14-44(74)57(87)70-50/h9,16-17,19-20,32-34,36,39-47,50-52,75-79,82H,8,10-15,18,21-31H2,1-7H3,(H2,63,80)(H,64,83)(H,65,85)(H,66,90)(H,67,89)(H,68,86)(H,69,88)(H,70,87)(H,71,84)/b38-9+/t33-,34+,36?,39-,40?,41?,42-,43-,44-,45-,46?,47?,50+,51-,52?/m0/s1
+CH$LINK: PUBCHEM CID:44254417
+CH$LINK: INCHIKEY ACFCYNJDAMJVRV-NPTOQFMUSA-N
+CH$LINK: CHEMSPIDER 28286673
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 90-1360
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.694 min
+MS$FOCUSED_ION: BASE_PEAK 657.3533
+MS$FOCUSED_ION: PRECURSOR_M/Z 1313.6987
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 165233481.16
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00gi-0920000000-e6f62b8b3998a5d056f5
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  91.0542 C7H7+ 1 91.0542 -0.34
+  93.0698 C7H9+ 1 93.0699 -1.07
+  95.0492 C6H7O+ 1 95.0491 0.41
+  95.0854 C7H11+ 1 95.0855 -1.28
+  96.0443 C5H6NO+ 1 96.0444 -0.68
+  96.0808 C6H10N+ 1 96.0808 0.11
+  97.1011 C7H13+ 1 97.1012 -0.63
+  98.06 C5H8NO+ 1 98.06 -0.31
+  98.0964 C6H12N+ 1 98.0964 -0.63
+  99.0804 C6H11O+ 1 99.0804 -0.29
+  100.0393 C4H6NO2+ 1 100.0393 0
+  101.0709 C4H9N2O+ 1 101.0709 -0.62
+  103.05 C3H7N2O2+ 1 103.0502 -2.38
+  104.034 C3H6NO3+ 1 104.0342 -2.26
+  105.0699 C8H9+ 1 105.0699 0.19
+  107.0492 C7H7O+ 1 107.0491 0.19
+  107.0855 C8H11+ 1 107.0855 0.19
+  110.06 C6H8NO+ 1 110.06 -0.3
+  111.0914 C6H11N2+ 1 111.0917 -2.02
+  112.0393 C5H6NO2+ 1 112.0393 0.06
+  112.0757 C6H10NO+ 1 112.0757 -0.15
+  113.0709 C5H9N2O+ 1 113.0709 -0.14
+  114.0913 C6H12NO+ 1 114.0913 -0.45
+  115.0866 C5H11N2O+ 1 115.0866 -0.18
+  116.0706 C5H10NO2+ 1 116.0706 -0.41
+  121.0648 C8H9O+ 1 121.0648 -0.05
+  123.1167 C9H15+ 1 123.1168 -0.79
+  124.0757 C7H10NO+ 1 124.0757 -0.12
+  125.0711 C6H9N2O+ 1 125.0709 1.1
+  125.0961 C8H13O+ 1 125.0961 0.32
+  126.055 C6H8NO2+ 1 126.055 0.07
+  126.0913 C7H12NO+ 1 126.0913 -0.18
+  127.0865 C6H11N2O+ 1 127.0866 -0.37
+  128.0705 C6H10NO2+ 1 128.0706 -0.9
+  129.0657 C5H9N2O2+ 1 129.0659 -1.04
+  130.0498 C5H8NO3+ 1 130.0499 -0.47
+  135.1169 C10H15+ 1 135.1168 0.84
+  137.071 C7H9N2O+ 1 137.0709 0.19
+  137.0959 C9H13O+ 1 137.0961 -1.75
+  138.1276 C9H16N+ 1 138.1277 -0.67
+  139.05 C6H7N2O2+ 1 139.0502 -1.49
+  139.0865 C7H11N2O+ 1 139.0866 -0.68
+  139.1114 C9H15O+ 1 139.1117 -2.69
+  140.0817 C6H10N3O+ 1 140.0818 -0.64
+  141.0657 C6H9N2O2+ 1 141.0659 -1.14
+  141.1016 C7H13N2O+ 1 141.1022 -4.22
+  143.1066 C8H15O2+ 1 143.1067 -0.29
+  145.1012 C11H13+ 1 145.1012 0.23
+  147.0804 C10H11O+ 1 147.0804 0.01
+  150.1277 C10H16N+ 1 150.1277 -0.35
+  151.1116 C10H15O+ 1 151.1117 -0.88
+  151.1229 C9H15N2+ 1 151.123 -0.29
+  153.0662 C7H9N2O2+ 1 153.0659 1.99
+  153.1021 C8H13N2O+ 1 153.1022 -0.95
+  155.0458 C6H7N2O3+ 1 155.0451 4.48
+  155.0814 C7H11N2O2+ 1 155.0815 -0.89
+  157.0972 C7H13N2O2+ 1 157.0972 -0.02
+  157.122 C9H17O2+ 1 157.1223 -1.9
+  159.0763 C6H11N2O3+ 1 159.0764 -0.93
+  163.1117 C11H15O+ 1 163.1117 -0.32
+  164.1069 C10H14NO+ 1 164.107 -0.45
+  165.0658 C8H9N2O2+ 1 165.0659 -0.42
+  165.1021 C9H13N2O+ 1 165.1022 -0.93
+  167.0814 C8H11N2O2+ 1 167.0815 -0.33
+  167.1178 C9H15N2O+ 1 167.1179 -0.29
+  167.1543 C10H19N2+ 1 167.1543 0.03
+  168.0768 C7H10N3O2+ 1 168.0768 0.37
+  168.1381 C10H18NO+ 1 168.1383 -1.07
+  169.0606 C7H9N2O3+ 1 169.0608 -1.27
+  169.1219 C10H17O2+ 1 169.1223 -2.16
+  171.0763 C7H11N2O3+ 1 171.0764 -0.64
+  171.1126 C8H15N2O2+ 1 171.1128 -0.96
+  173.1281 C8H17N2O2+ 1 173.1285 -2.28
+  180.138 C11H18NO+ 1 180.1383 -1.37
+  181.0608 C8H9N2O3+ 1 181.0608 0.38
+  181.0973 C9H13N2O2+ 1 181.0972 0.59
+  181.1211 C9H15N3O+ 1 181.121 0.81
+  183.0767 C8H11N2O3+ 1 183.0764 1.35
+  183.1492 C10H19N2O+ 1 183.1492 -0.07
+  185.092 C8H13N2O3+ 1 185.0921 -0.59
+  186.0873 C7H12N3O3+ 1 186.0873 0.04
+  186.1488 C10H20NO2+ 1 186.1489 -0.53
+  187.0713 C7H11N2O4+ 1 187.0713 -0.39
+  190.1226 C12H16NO+ 1 190.1226 -0.46
+  191.106 C12H15O2+ 2 191.1067 -3.59
+  193.0607 C9H9N2O3+ 1 193.0608 -0.11
+  193.0969 C10H13N2O2+ 1 193.0972 -1.1
+  195.1128 C10H15N2O2+ 1 195.1128 -0.01
+  195.149 C11H19N2O+ 1 195.1492 -0.92
+  197.1283 C10H17N2O2+ 1 197.1285 -0.65
+  198.1487 C11H20NO2+ 1 198.1489 -0.64
+  201.1235 C9H17N2O3+ 1 201.1234 0.73
+  208.1331 C12H18NO2+ 1 208.1332 -0.69
+  211.1441 C11H19N2O2+ 1 211.1441 0.22
+  212.1388 C10H18N3O2+ 2 212.1394 -2.62
+  216.1382 C14H18NO+ 2 216.1383 -0.41
+  216.1594 C11H22NO3+ 1 216.1594 -0.25
+  220.1084 C11H14N3O2+ 2 220.1081 1.51
+  221.0924 C11H13N2O3+ 1 221.0921 1.42
+  225.1596 C12H21N2O2+ 1 225.1598 -0.9
+  226.1434 C12H20NO3+ 2 226.1438 -1.65
+  228.0978 C9H14N3O4+ 1 228.0979 -0.38
+  234.0884 C11H12N3O3+ 2 234.0873 4.5
+  238.1188 C11H16N3O3+ 2 238.1186 0.88
+  243.1704 C12H23N2O3+ 1 243.1703 0.23
+  244.154 C12H22NO4+ 2 244.1543 -1.41
+  252.1344 C12H18N3O3+ 2 252.1343 0.5
+  253.1539 C13H21N2O3+ 2 253.1547 -3.04
+  254.1135 C11H16N3O4+ 1 254.1135 -0.08
+  261.181 C12H25N2O4+ 2 261.1809 0.37
+  262.1655 C12H24NO5+ 4 262.1649 2.22
+  265.1545 C14H21N2O3+ 4 265.1547 -0.51
+  266.1132 C12H16N3O4+ 2 266.1135 -1.19
+  266.1492 C11H18N6O2+ 3 266.1486 2.34
+  267.2066 C15H27N2O2+ 5 267.2067 -0.37
+  270.1806 C13H24N3O3+ 3 270.1812 -2.35
+  273.1592 CH27N3O12+ 6 273.1589 1.11
+  277.1909 C16H25N2O2+ 6 277.1911 -0.49
+  280.1653 C14H22N3O3+ 4 280.1656 -0.99
+  280.2012 H32N4O12+ 5 280.2011 0.2
+  283.14 C12H19N4O4+ 3 283.1401 -0.28
+  295.2016 C16H27N2O3+ 6 295.2016 -0.12
+  298.1761 C14H24N3O4+ 6 298.1761 0.02
+  313.2122 C16H29N2O4+ 7 313.2122 0.08
+  325.2137 C20H27N3O+ 7 325.2149 -3.59
+  358.2338 C17H32N3O5+ 11 358.2336 0.38
+  376.1869 C19H26N3O5+ 11 376.1867 0.55
+PK$NUM_PEAK: 127
+PK$PEAK: m/z int. rel.int.
+  91.0542 1038454.9 34
+  93.0698 410672 13
+  95.0492 609478.6 20
+  95.0854 316776.3 10
+  96.0443 366517.9 12
+  96.0808 452525.1 14
+  97.1011 350905.5 11
+  98.06 5577195 184
+  98.0964 588196.5 19
+  99.0804 2968908 98
+  100.0393 421038.9 13
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+  103.05 483368.1 15
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+  115.0866 3961004.2 130
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+  280.1653 899874.9 29
+  280.2012 658812.2 21
+  283.14 341753.4 11
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+  298.1761 1060536.2 35
+  313.2122 4896880.5 161
+  325.2137 369356.6 12
+  358.2338 414644.9 13
+  376.1869 461125.1 15
+//
diff --git a/Eawag/MSBNK-MLU-ED035207.txt b/Eawag/MSBNK-MLU-ED035207.txt
new file mode 100644
index 0000000000..ed5db99707
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED035207.txt
@@ -0,0 +1,215 @@
+ACCESSION: MSBNK-MLU-ED035207
+RECORD_TITLE: Lyngbyazothrin A; LC-ESI-QFT; MS2; CE: 60%; R=17500; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], E. N. Zainuddin [dtc], S. Mundt [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 352
+CH$NAME: Lyngbyazothrin A
+CH$NAME: 3-[(3S,12S,19S,28S,31E,34S,37R,40S)-37-[(2S)-butan-2-yl]-31-ethylidene-15-hydroxy-28-[(1R)-1-hydroxyethyl]-34-(hydroxymethyl)-25-[2-(4-methoxyphenyl)ethyl]-2,8,11,14,18,24,27,30,33,36,39-undecaoxo-16-(2,4,5-trihydroxy-7-methyloctyl)-1,7,10,13,17,23,26,29,32,35,38-undecazatetracyclo[38.3.0.03,7.019,23]tritetracontan-12-yl]propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C62H96N12O19
+CH$EXACT_MASS: 1312.691469
+CH$SMILES: CC[C@H](C)[C@@H]1C(=O)N[C@H](C(=O)N/C(=C/C)/C(=O)N[C@H](C(=O)NC(C(=O)N2CCC[C@H]2C(=O)NC(C(C(=O)N[C@H](C(=O)NCC(=O)N3CCC[C@H]3C(=O)N4CCC[C@H]4C(=O)N1)CCC(=O)N)O)CC(CC(C(CC(C)C)O)O)O)CCC5=CC=C(C=C5)OC)[C@@H](C)O)CO
+CH$IUPAC: InChI=1S/C62H96N12O19/c1-8-33(5)50-58(88)69-42(31-75)55(85)65-38(9-2)54(84)71-51(34(6)76)59(89)67-40(21-18-35-16-19-37(93-7)20-17-35)61(91)73-25-10-13-43(73)56(86)68-41(28-36(77)29-47(79)46(78)27-32(3)4)52(82)60(90)66-39(22-23-48(63)80)53(83)64-30-49(81)72-24-12-15-45(72)62(92)74-26-11-14-44(74)57(87)70-50/h9,16-17,19-20,32-34,36,39-47,50-52,75-79,82H,8,10-15,18,21-31H2,1-7H3,(H2,63,80)(H,64,83)(H,65,85)(H,66,90)(H,67,89)(H,68,86)(H,69,88)(H,70,87)(H,71,84)/b38-9+/t33-,34+,36?,39-,40?,41?,42-,43-,44-,45-,46?,47?,50+,51-,52?/m0/s1
+CH$LINK: PUBCHEM CID:44254417
+CH$LINK: INCHIKEY ACFCYNJDAMJVRV-NPTOQFMUSA-N
+CH$LINK: CHEMSPIDER 28286673
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 90-1360
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.694 min
+MS$FOCUSED_ION: BASE_PEAK 657.3533
+MS$FOCUSED_ION: PRECURSOR_M/Z 1313.6987
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 165233481.16
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00di-1900000000-f9075033da974f9e12fd
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  91.0542 C7H7+ 1 91.0542 -0.09
+  93.0699 C7H9+ 1 93.0699 0.16
+  95.0491 C6H7O+ 1 95.0491 -0.07
+  95.0855 C7H11+ 1 95.0855 -0.32
+  96.0444 C5H6NO+ 1 96.0444 -0.21
+  96.0808 C6H10N+ 1 96.0808 0.74
+  97.1012 C7H13+ 1 97.1012 0.23
+  98.06 C5H8NO+ 1 98.06 -0.08
+  98.0964 C6H12N+ 1 98.0964 -0.63
+  99.0804 C6H11O+ 1 99.0804 -0.13
+  100.0393 C4H6NO2+ 1 100.0393 -0.45
+  101.0709 C4H9N2O+ 1 101.0709 -0.24
+  104.0341 C3H6NO3+ 1 104.0342 -1.23
+  105.07 C8H9+ 1 105.0699 1.06
+  107.0491 C7H7O+ 1 107.0491 -0.24
+  107.0856 C8H11+ 1 107.0855 0.4
+  110.0601 C6H8NO+ 1 110.06 0.39
+  111.0917 C6H11N2+ 1 111.0917 0.52
+  112.0393 C5H6NO2+ 1 112.0393 -0.14
+  112.0757 C6H10NO+ 1 112.0757 0.47
+  113.071 C5H9N2O+ 1 113.0709 0.26
+  114.0914 C6H12NO+ 1 114.0913 0.15
+  115.0866 C5H11N2O+ 1 115.0866 -0.18
+  116.0706 C5H10NO2+ 1 116.0706 -0.21
+  121.0648 C8H9O+ 1 121.0648 0.02
+  124.0393 C6H6NO2+ 1 124.0393 0.32
+  124.0757 C7H10NO+ 1 124.0757 0.01
+  125.0709 C6H9N2O+ 1 125.0709 -0.06
+  125.0961 C8H13O+ 1 125.0961 0.02
+  126.055 C6H8NO2+ 1 126.055 0.13
+  126.0913 C7H12NO+ 1 126.0913 -0.06
+  127.0865 C6H11N2O+ 1 127.0866 -0.37
+  128.0705 C6H10NO2+ 1 128.0706 -0.54
+  129.0657 C5H9N2O2+ 1 129.0659 -1.27
+  130.0499 C5H8NO3+ 1 130.0499 0
+  135.1167 C10H15+ 1 135.1168 -0.63
+  137.0709 C7H9N2O+ 1 137.0709 -0.37
+  137.096 C9H13O+ 1 137.0961 -0.97
+  138.1276 C9H16N+ 1 138.1277 -0.56
+  139.0501 C6H7N2O2+ 1 139.0502 -0.4
+  139.0865 C7H11N2O+ 1 139.0866 -0.79
+  140.0818 C6H10N3O+ 1 140.0818 -0.42
+  141.0657 C6H9N2O2+ 1 141.0659 -1.14
+  143.1066 C8H15O2+ 1 143.1067 -0.08
+  145.1013 C11H13+ 1 145.1012 0.75
+  147.0804 C10H11O+ 1 147.0804 -0.61
+  150.1277 C10H16N+ 1 150.1277 -0.45
+  151.05 C7H7N2O2+ 1 151.0502 -1.29
+  151.1117 C10H15O+ 1 151.1117 -0.37
+  153.0658 C7H9N2O2+ 1 153.0659 -0.4
+  153.1021 C8H13N2O+ 1 153.1022 -1.15
+  155.0452 C6H7N2O3+ 1 155.0451 0.54
+  155.0814 C7H11N2O2+ 1 155.0815 -0.99
+  163.1116 C11H15O+ 1 163.1117 -1.17
+  164.1068 C10H14NO+ 1 164.107 -0.91
+  165.0658 C8H9N2O2+ 1 165.0659 -0.51
+  165.1023 C9H13N2O+ 1 165.1022 0.54
+  167.0815 C8H11N2O2+ 1 167.0815 0.13
+  167.1178 C9H15N2O+ 1 167.1179 -0.38
+  167.1541 C10H19N2+ 1 167.1543 -1.07
+  168.1382 C10H18NO+ 1 168.1383 -0.62
+  169.0606 C7H9N2O3+ 1 169.0608 -0.73
+  171.0764 C7H11N2O3+ 1 171.0764 -0.28
+  180.1382 C11H18NO+ 1 180.1383 -0.26
+  181.0609 C8H9N2O3+ 1 181.0608 0.97
+  181.0969 C9H13N2O2+ 1 181.0972 -1.18
+  181.1208 C9H15N3O+ 1 181.121 -0.88
+  183.0767 C8H11N2O3+ 1 183.0764 1.35
+  183.1492 C10H19N2O+ 1 183.1492 0.09
+  185.092 C8H13N2O3+ 1 185.0921 -0.59
+  186.0877 C7H12N3O3+ 1 186.0873 2.01
+  186.1488 C10H20NO2+ 1 186.1489 -0.2
+  187.0712 C7H11N2O4+ 1 187.0713 -0.56
+  190.1227 C12H16NO+ 1 190.1226 0.35
+  191.1061 C12H15O2+ 2 191.1067 -2.71
+  195.1127 C10H15N2O2+ 1 195.1128 -0.72
+  195.149 C11H19N2O+ 1 195.1492 -0.84
+  198.1488 C11H20NO2+ 1 198.1489 -0.1
+  201.124 C9H17N2O3+ 1 201.1234 3.01
+  208.1331 C12H18NO2+ 1 208.1332 -0.69
+  211.1443 C11H19N2O2+ 1 211.1441 1.08
+  216.1383 C14H18NO+ 2 216.1383 -0.13
+  216.1595 C11H22NO3+ 1 216.1594 0.46
+  220.1083 C11H14N3O2+ 2 220.1081 1.23
+  261.1809 C12H25N2O4+ 1 261.1809 0.02
+  262.1651 C12H24NO5+ 3 262.1649 0.59
+PK$NUM_PEAK: 86
+PK$PEAK: m/z int. rel.int.
+  91.0542 2775653 60
+  93.0699 1021869.5 22
+  95.0491 1472287.5 31
+  95.0855 719967.4 15
+  96.0444 1141296.9 24
+  96.0808 920989.6 19
+  97.1012 814308.9 17
+  98.06 10259515 221
+  98.0964 1118798.1 24
+  99.0804 5302145 114
+  100.0393 630650.6 13
+  101.0709 1236696.6 26
+  104.0341 663455.5 14
+  105.07 864971.2 18
+  107.0491 1169822.2 25
+  107.0856 2777848.5 60
+  110.0601 1134633.2 24
+  111.0917 571056 12
+  112.0393 1502156.1 32
+  112.0757 1587436.6 34
+  113.071 804871.8 17
+  114.0914 570300.3 12
+  115.0866 2651281.5 57
+  116.0706 2040437.4 44
+  121.0648 46178376 999
+  124.0393 474558.7 10
+  124.0757 745673.4 16
+  125.0709 1165712.1 25
+  125.0961 2792226 60
+  126.055 4724200.5 102
+  126.0913 2524251.8 54
+  127.0865 15240671 329
+  128.0705 661281.7 14
+  129.0657 927667.9 20
+  130.0499 955383.2 20
+  135.1167 720879.4 15
+  137.0709 1033508.2 22
+  137.096 1116842.8 24
+  138.1276 1317825.9 28
+  139.0501 660699.1 14
+  139.0865 1746699.6 37
+  140.0818 950771.4 20
+  141.0657 1546625.1 33
+  143.1066 6980382.5 151
+  145.1013 1432234.8 30
+  147.0804 2127025 46
+  150.1277 2378413.5 51
+  151.05 562482.6 12
+  151.1117 1748043.1 37
+  153.0658 809796.5 17
+  153.1021 1664436 36
+  155.0452 1356013.2 29
+  155.0814 6865547.5 148
+  163.1116 1496394.5 32
+  164.1068 893457.6 19
+  165.0658 573933.4 12
+  165.1023 727603.8 15
+  167.0815 1359572.6 29
+  167.1178 1744581.1 37
+  167.1541 627804.2 13
+  168.1382 1571375.9 33
+  169.0606 1280921.9 27
+  171.0764 1439801 31
+  180.1382 1409803.5 30
+  181.0609 718984.6 15
+  181.0969 652853.1 14
+  181.1208 643228.3 13
+  183.0767 1041320.8 22
+  183.1492 11703630 253
+  185.092 629816.1 13
+  186.0877 477759.7 10
+  186.1488 1774376.2 38
+  187.0712 1054976.8 22
+  190.1227 907894.9 19
+  191.1061 944033.3 20
+  195.1127 1329762.4 28
+  195.149 586433.3 12
+  198.1488 1144564.8 24
+  201.124 590616.9 12
+  208.1331 1284288.4 27
+  211.1443 1043388 22
+  216.1383 3616863.8 78
+  216.1595 3450365.8 74
+  220.1083 1070350.8 23
+  261.1809 1006553.6 21
+  262.1651 501037 10
+//
diff --git a/Eawag/MSBNK-MLU-ED035208.txt b/Eawag/MSBNK-MLU-ED035208.txt
new file mode 100644
index 0000000000..bc6031a717
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED035208.txt
@@ -0,0 +1,165 @@
+ACCESSION: MSBNK-MLU-ED035208
+RECORD_TITLE: Lyngbyazothrin A; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], E. N. Zainuddin [dtc], S. Mundt [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 352
+CH$NAME: Lyngbyazothrin A
+CH$NAME: 3-[(3S,12S,19S,28S,31E,34S,37R,40S)-37-[(2S)-butan-2-yl]-31-ethylidene-15-hydroxy-28-[(1R)-1-hydroxyethyl]-34-(hydroxymethyl)-25-[2-(4-methoxyphenyl)ethyl]-2,8,11,14,18,24,27,30,33,36,39-undecaoxo-16-(2,4,5-trihydroxy-7-methyloctyl)-1,7,10,13,17,23,26,29,32,35,38-undecazatetracyclo[38.3.0.03,7.019,23]tritetracontan-12-yl]propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C62H96N12O19
+CH$EXACT_MASS: 1312.691469
+CH$SMILES: CC[C@H](C)[C@@H]1C(=O)N[C@H](C(=O)N/C(=C/C)/C(=O)N[C@H](C(=O)NC(C(=O)N2CCC[C@H]2C(=O)NC(C(C(=O)N[C@H](C(=O)NCC(=O)N3CCC[C@H]3C(=O)N4CCC[C@H]4C(=O)N1)CCC(=O)N)O)CC(CC(C(CC(C)C)O)O)O)CCC5=CC=C(C=C5)OC)[C@@H](C)O)CO
+CH$IUPAC: InChI=1S/C62H96N12O19/c1-8-33(5)50-58(88)69-42(31-75)55(85)65-38(9-2)54(84)71-51(34(6)76)59(89)67-40(21-18-35-16-19-37(93-7)20-17-35)61(91)73-25-10-13-43(73)56(86)68-41(28-36(77)29-47(79)46(78)27-32(3)4)52(82)60(90)66-39(22-23-48(63)80)53(83)64-30-49(81)72-24-12-15-45(72)62(92)74-26-11-14-44(74)57(87)70-50/h9,16-17,19-20,32-34,36,39-47,50-52,75-79,82H,8,10-15,18,21-31H2,1-7H3,(H2,63,80)(H,64,83)(H,65,85)(H,66,90)(H,67,89)(H,68,86)(H,69,88)(H,70,87)(H,71,84)/b38-9+/t33-,34+,36?,39-,40?,41?,42-,43-,44-,45-,46?,47?,50+,51-,52?/m0/s1
+CH$LINK: PUBCHEM CID:44254417
+CH$LINK: INCHIKEY ACFCYNJDAMJVRV-NPTOQFMUSA-N
+CH$LINK: CHEMSPIDER 28286673
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 90-1360
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.694 min
+MS$FOCUSED_ION: BASE_PEAK 657.3533
+MS$FOCUSED_ION: PRECURSOR_M/Z 1313.6987
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 165233481.16
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00di-2900000000-cfcc7fa28d5993b878a2
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  91.0542 C7H7+ 1 91.0542 -0.68
+  93.0698 C7H9+ 1 93.0699 -0.58
+  94.0651 C6H8N+ 1 94.0651 -0.71
+  95.0126 C5H3O2+ 1 95.0128 -1.91
+  95.0491 C6H7O+ 1 95.0491 -0.71
+  95.0854 C7H11+ 1 95.0855 -1.2
+  96.0443 C5H6NO+ 1 96.0444 -0.6
+  96.0807 C6H10N+ 1 96.0808 -0.53
+  97.1011 C7H13+ 1 97.1012 -0.63
+  98.06 C5H8NO+ 1 98.06 -0.47
+  98.0963 C6H12N+ 1 98.0964 -0.86
+  99.0804 C6H11O+ 1 99.0804 -0.6
+  100.0392 C4H6NO2+ 1 100.0393 -0.68
+  101.0709 C4H9N2O+ 1 101.0709 -0.69
+  105.0698 C8H9+ 1 105.0699 -0.39
+  106.0651 C7H8N+ 1 106.0651 -0.4
+  107.049 C7H7O+ 1 107.0491 -1.16
+  107.0854 C8H11+ 1 107.0855 -0.81
+  110.06 C6H8NO+ 1 110.06 -0.3
+  112.0393 C5H6NO2+ 1 112.0393 0.27
+  113.0709 C5H9N2O+ 1 113.0709 -0.48
+  116.0705 C5H10NO2+ 1 116.0706 -1.26
+  121.0647 C8H9O+ 1 121.0648 -0.8
+  123.0551 C6H7N2O+ 1 123.0553 -1.74
+  124.0393 C6H6NO2+ 1 124.0393 -0.23
+  124.0756 C7H10NO+ 1 124.0757 -0.48
+  125.0708 C6H9N2O+ 1 125.0709 -0.8
+  125.096 C8H13O+ 1 125.0961 -0.84
+  126.0548 C6H8NO2+ 1 126.055 -0.84
+  126.0912 C7H12NO+ 1 126.0913 -1.45
+  127.0503 C5H7N2O2+ 1 127.0502 0.41
+  127.0865 C6H11N2O+ 1 127.0866 -1.09
+  129.0655 C5H9N2O2+ 1 129.0659 -2.46
+  135.055 C7H7N2O+ 1 135.0553 -2
+  137.0708 C7H9N2O+ 1 137.0709 -0.93
+  137.0958 C9H13O+ 1 137.0961 -2.3
+  138.1275 C9H16N+ 1 138.1277 -1.44
+  139.0501 C6H7N2O2+ 1 139.0502 -0.94
+  139.0864 C7H11N2O+ 1 139.0866 -1.66
+  140.0815 C6H10N3O+ 1 140.0818 -2.17
+  141.0656 C6H9N2O2+ 1 141.0659 -1.78
+  143.1065 C8H15O2+ 1 143.1067 -1.04
+  145.1011 C11H13+ 1 145.1012 -0.3
+  147.0802 C10H11O+ 1 147.0804 -1.34
+  150.1275 C10H16N+ 1 150.1277 -1.37
+  151.0499 C7H7N2O2+ 1 151.0502 -1.69
+  153.0658 C7H9N2O2+ 1 153.0659 -0.6
+  153.102 C8H13N2O+ 1 153.1022 -1.35
+  155.045 C6H7N2O3+ 1 155.0451 -0.84
+  155.0812 C7H11N2O2+ 1 155.0815 -1.68
+  165.0658 C8H9N2O2+ 1 165.0659 -0.61
+  167.1178 C9H15N2O+ 1 167.1179 -0.83
+  180.1381 C11H18NO+ 1 180.1383 -1.2
+  181.0605 C8H9N2O3+ 1 181.0608 -1.56
+  183.0765 C8H11N2O3+ 1 183.0764 0.19
+  183.1491 C10H19N2O+ 1 183.1492 -0.66
+  191.1058 C12H15O2+ 2 191.1067 -4.39
+  208.1331 C12H18NO2+ 1 208.1332 -0.55
+  216.1381 C14H18NO+ 2 216.1383 -1.05
+  216.1593 C11H22NO3+ 1 216.1594 -0.39
+  220.1083 C11H14N3O2+ 2 220.1081 1.23
+PK$NUM_PEAK: 61
+PK$PEAK: m/z int. rel.int.
+  91.0542 3556800.5 87
+  93.0698 1159754.8 28
+  94.0651 647905.8 15
+  95.0126 424727.3 10
+  95.0491 1617521 39
+  95.0854 753044.3 18
+  96.0443 1609671.5 39
+  96.0807 1010991.4 24
+  97.1011 718755.1 17
+  98.06 8464410 207
+  98.0963 938824.4 22
+  99.0804 4410761 107
+  100.0392 442593.2 10
+  101.0709 879874.9 21
+  105.0698 1024105.2 25
+  106.0651 417171.3 10
+  107.049 1085924.6 26
+  107.0854 2686210 65
+  110.06 1159696.8 28
+  112.0393 1135206.6 27
+  113.0709 866133.1 21
+  116.0705 1118801.8 27
+  121.0647 40808752 999
+  123.0551 490617.6 12
+  124.0393 499494.8 12
+  124.0756 513502.4 12
+  125.0708 954444.6 23
+  125.096 1703655.2 41
+  126.0548 2928774.2 71
+  126.0912 1723626.6 42
+  127.0503 472815.8 11
+  127.0865 8715738 213
+  129.0655 437039 10
+  135.055 490447.5 12
+  137.0708 1095253.5 26
+  137.0958 652915 15
+  138.1275 846206.7 20
+  139.0501 778843.2 19
+  139.0864 1294677.9 31
+  140.0815 721752.4 17
+  141.0656 1315258.6 32
+  143.1065 3102748 75
+  145.1011 1011300.9 24
+  147.0802 1428075 34
+  150.1275 1571134.4 38
+  151.0499 451534.9 11
+  153.0658 631794.5 15
+  153.102 819202.9 20
+  155.045 962464.5 23
+  155.0812 2295925.8 56
+  165.0658 420369.2 10
+  167.1178 815797.7 19
+  180.1381 687112.7 16
+  181.0605 414917.2 10
+  183.0765 630025.2 15
+  183.1491 2815608.5 68
+  191.1058 454628.6 11
+  208.1331 416060.7 10
+  216.1381 1484917.9 36
+  216.1593 728654.2 17
+  220.1083 610669.3 14
+//
diff --git a/Eawag/MSBNK-MLU-ED035209.txt b/Eawag/MSBNK-MLU-ED035209.txt
new file mode 100644
index 0000000000..5c1271620a
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED035209.txt
@@ -0,0 +1,111 @@
+ACCESSION: MSBNK-MLU-ED035209
+RECORD_TITLE: Lyngbyazothrin A; LC-ESI-QFT; MS2; CE: 80%; R=17500; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], E. N. Zainuddin [dtc], S. Mundt [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 352
+CH$NAME: Lyngbyazothrin A
+CH$NAME: 3-[(3S,12S,19S,28S,31E,34S,37R,40S)-37-[(2S)-butan-2-yl]-31-ethylidene-15-hydroxy-28-[(1R)-1-hydroxyethyl]-34-(hydroxymethyl)-25-[2-(4-methoxyphenyl)ethyl]-2,8,11,14,18,24,27,30,33,36,39-undecaoxo-16-(2,4,5-trihydroxy-7-methyloctyl)-1,7,10,13,17,23,26,29,32,35,38-undecazatetracyclo[38.3.0.03,7.019,23]tritetracontan-12-yl]propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C62H96N12O19
+CH$EXACT_MASS: 1312.691469
+CH$SMILES: CC[C@H](C)[C@@H]1C(=O)N[C@H](C(=O)N/C(=C/C)/C(=O)N[C@H](C(=O)NC(C(=O)N2CCC[C@H]2C(=O)NC(C(C(=O)N[C@H](C(=O)NCC(=O)N3CCC[C@H]3C(=O)N4CCC[C@H]4C(=O)N1)CCC(=O)N)O)CC(CC(C(CC(C)C)O)O)O)CCC5=CC=C(C=C5)OC)[C@@H](C)O)CO
+CH$IUPAC: InChI=1S/C62H96N12O19/c1-8-33(5)50-58(88)69-42(31-75)55(85)65-38(9-2)54(84)71-51(34(6)76)59(89)67-40(21-18-35-16-19-37(93-7)20-17-35)61(91)73-25-10-13-43(73)56(86)68-41(28-36(77)29-47(79)46(78)27-32(3)4)52(82)60(90)66-39(22-23-48(63)80)53(83)64-30-49(81)72-24-12-15-45(72)62(92)74-26-11-14-44(74)57(87)70-50/h9,16-17,19-20,32-34,36,39-47,50-52,75-79,82H,8,10-15,18,21-31H2,1-7H3,(H2,63,80)(H,64,83)(H,65,85)(H,66,90)(H,67,89)(H,68,86)(H,69,88)(H,70,87)(H,71,84)/b38-9+/t33-,34+,36?,39-,40?,41?,42-,43-,44-,45-,46?,47?,50+,51-,52?/m0/s1
+CH$LINK: PUBCHEM CID:44254417
+CH$LINK: INCHIKEY ACFCYNJDAMJVRV-NPTOQFMUSA-N
+CH$LINK: CHEMSPIDER 28286673
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 90-1360
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.694 min
+MS$FOCUSED_ION: BASE_PEAK 657.3533
+MS$FOCUSED_ION: PRECURSOR_M/Z 1313.6987
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 165233481.16
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00di-3900000000-e3c8589f08ce54905c65
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  91.0542 C7H7+ 1 91.0542 -0.26
+  93.0699 C7H9+ 1 93.0699 0.08
+  94.0651 C6H8N+ 1 94.0651 -0.38
+  95.0855 C7H11+ 1 95.0855 -0.4
+  96.0444 C5H6NO+ 1 96.0444 -0.29
+  96.0809 C6H10N+ 1 96.0808 0.82
+  98.06 C5H8NO+ 1 98.06 -0.08
+  99.0804 C6H11O+ 1 99.0804 -0.21
+  101.0709 C4H9N2O+ 1 101.0709 0.06
+  106.0651 C7H8N+ 1 106.0651 -0.4
+  110.0601 C6H8NO+ 1 110.06 0.39
+  112.0393 C5H6NO2+ 1 112.0393 0.13
+  112.0757 C6H10NO+ 1 112.0757 0.13
+  113.0709 C5H9N2O+ 1 113.0709 -0.34
+  115.0866 C5H11N2O+ 1 115.0866 -0.18
+  116.0705 C5H10NO2+ 1 116.0706 -1.07
+  121.0648 C8H9O+ 1 121.0648 -0.17
+  124.0756 C7H10NO+ 1 124.0757 -1.1
+  125.0709 C6H9N2O+ 1 125.0709 -0.25
+  126.0549 C6H8NO2+ 1 126.055 -0.54
+  128.0705 C6H10NO2+ 1 128.0706 -0.54
+  130.0499 C5H8NO3+ 1 130.0499 -0.12
+  135.0551 C7H7N2O+ 1 135.0553 -1.66
+  137.0959 C9H13O+ 1 137.0961 -1.52
+  140.0816 C6H10N3O+ 1 140.0818 -1.73
+  141.0656 C6H9N2O2+ 1 141.0659 -1.68
+  145.1012 C11H13+ 1 145.1012 0.02
+  147.0804 C10H11O+ 1 147.0804 0.01
+  153.0657 C7H9N2O2+ 1 153.0659 -0.8
+  155.0813 C7H11N2O2+ 1 155.0815 -1.29
+  163.1115 C11H15O+ 1 163.1117 -1.73
+  169.0608 C7H9N2O3+ 1 169.0608 0.26
+  180.138 C11H18NO+ 1 180.1383 -1.7
+  183.1492 C10H19N2O+ 1 183.1492 -0.16
+PK$NUM_PEAK: 34
+PK$PEAK: m/z int. rel.int.
+  91.0542 4856310.5 100
+  93.0699 1358346.1 28
+  94.0651 925844.4 19
+  95.0855 873835.6 18
+  96.0444 1856572.1 38
+  96.0809 1115711.6 23
+  98.06 9389393 193
+  99.0804 4680532 96
+  101.0709 887239.9 18
+  106.0651 533375.1 11
+  110.0601 1347741.9 27
+  112.0393 1300429.9 26
+  112.0757 1223020.5 25
+  113.0709 925811.2 19
+  115.0866 1007403.7 20
+  116.0705 1125699.9 23
+  121.0648 48426632 999
+  124.0756 520385.1 10
+  125.0709 1168756.9 24
+  126.0549 2582651.8 53
+  128.0705 515035.8 10
+  130.0499 516570.2 10
+  135.0551 662849.4 13
+  137.0959 772728.4 15
+  140.0816 852212.5 17
+  141.0656 1255608.5 25
+  145.1012 974916.7 20
+  147.0804 1487326.8 30
+  153.0657 621586.2 12
+  155.0813 1649826.5 34
+  163.1115 547219.6 11
+  169.0608 622687.9 12
+  180.138 644238.2 13
+  183.1492 1653560.4 34
+//
diff --git a/Eawag/MSBNK-MLU-ED035251.txt b/Eawag/MSBNK-MLU-ED035251.txt
new file mode 100644
index 0000000000..04f932aab6
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED035251.txt
@@ -0,0 +1,63 @@
+ACCESSION: MSBNK-MLU-ED035251
+RECORD_TITLE: Lyngbyazothrin A; LC-ESI-QFT; MS2; CE: 15%; R=17500; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], E. N. Zainuddin [dtc], S. Mundt [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 352
+CH$NAME: Lyngbyazothrin A
+CH$NAME: 3-[(3S,12S,19S,28S,31E,34S,37R,40S)-37-[(2S)-butan-2-yl]-31-ethylidene-15-hydroxy-28-[(1R)-1-hydroxyethyl]-34-(hydroxymethyl)-25-[2-(4-methoxyphenyl)ethyl]-2,8,11,14,18,24,27,30,33,36,39-undecaoxo-16-(2,4,5-trihydroxy-7-methyloctyl)-1,7,10,13,17,23,26,29,32,35,38-undecazatetracyclo[38.3.0.03,7.019,23]tritetracontan-12-yl]propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C62H96N12O19
+CH$EXACT_MASS: 1312.691469
+CH$SMILES: CC[C@H](C)[C@@H]1C(=O)N[C@H](C(=O)N/C(=C/C)/C(=O)N[C@H](C(=O)NC(C(=O)N2CCC[C@H]2C(=O)NC(C(C(=O)N[C@H](C(=O)NCC(=O)N3CCC[C@H]3C(=O)N4CCC[C@H]4C(=O)N1)CCC(=O)N)O)CC(CC(C(CC(C)C)O)O)O)CCC5=CC=C(C=C5)OC)[C@@H](C)O)CO
+CH$IUPAC: InChI=1S/C62H96N12O19/c1-8-33(5)50-58(88)69-42(31-75)55(85)65-38(9-2)54(84)71-51(34(6)76)59(89)67-40(21-18-35-16-19-37(93-7)20-17-35)61(91)73-25-10-13-43(73)56(86)68-41(28-36(77)29-47(79)46(78)27-32(3)4)52(82)60(90)66-39(22-23-48(63)80)53(83)64-30-49(81)72-24-12-15-45(72)62(92)74-26-11-14-44(74)57(87)70-50/h9,16-17,19-20,32-34,36,39-47,50-52,75-79,82H,8,10-15,18,21-31H2,1-7H3,(H2,63,80)(H,64,83)(H,65,85)(H,66,90)(H,67,89)(H,68,86)(H,69,88)(H,70,87)(H,71,84)/b38-9+/t33-,34+,36?,39-,40?,41?,42-,43-,44-,45-,46?,47?,50+,51-,52?/m0/s1
+CH$LINK: PUBCHEM CID:44254417
+CH$LINK: INCHIKEY ACFCYNJDAMJVRV-NPTOQFMUSA-N
+CH$LINK: CHEMSPIDER 28286673
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 90-1355
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.716 min
+MS$FOCUSED_ION: BASE_PEAK 1311.6836
+MS$FOCUSED_ION: PRECURSOR_M/Z 1311.6842
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 60613670.71
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-014i-0091000000-9916cfffde96a10c2d04
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  1219.637 C59H87N12O16- 3 1219.6368 0.09
+  1237.6472 C59H89N12O17- 2 1237.6474 -0.15
+  1238.6438 C60H90N10O18- 2 1238.644 -0.15
+  1249.6465 C60H89N12O17- 2 1249.6474 -0.72
+  1250.6414 C61H90N10O18- 1 1250.644 -2.1
+  1267.6567 C60H91N12O18- 2 1267.658 -1.04
+  1268.6526 C61H92N10O19- 1 1268.6546 -1.53
+  1281.6702 C61H93N12O18- 1 1281.6736 -2.66
+  1293.6712 C62H93N12O18- 1 1293.6736 -1.87
+  1311.6822 C62H95N12O19- 1 1311.6842 -1.5
+PK$NUM_PEAK: 10
+PK$PEAK: m/z int. rel.int.
+  1219.637 3130622 73
+  1237.6472 15322452 359
+  1238.6438 1274461.6 29
+  1249.6465 7112157.5 166
+  1250.6414 565649.5 13
+  1267.6567 42561344 999
+  1268.6526 3664883.2 86
+  1281.6702 1418604.8 33
+  1293.6712 1837491.1 43
+  1311.6822 11160387 261
+//
diff --git a/Eawag/MSBNK-MLU-ED035252.txt b/Eawag/MSBNK-MLU-ED035252.txt
new file mode 100644
index 0000000000..9e161c57d4
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED035252.txt
@@ -0,0 +1,71 @@
+ACCESSION: MSBNK-MLU-ED035252
+RECORD_TITLE: Lyngbyazothrin A; LC-ESI-QFT; MS2; CE: 20%; R=17500; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], E. N. Zainuddin [dtc], S. Mundt [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 352
+CH$NAME: Lyngbyazothrin A
+CH$NAME: 3-[(3S,12S,19S,28S,31E,34S,37R,40S)-37-[(2S)-butan-2-yl]-31-ethylidene-15-hydroxy-28-[(1R)-1-hydroxyethyl]-34-(hydroxymethyl)-25-[2-(4-methoxyphenyl)ethyl]-2,8,11,14,18,24,27,30,33,36,39-undecaoxo-16-(2,4,5-trihydroxy-7-methyloctyl)-1,7,10,13,17,23,26,29,32,35,38-undecazatetracyclo[38.3.0.03,7.019,23]tritetracontan-12-yl]propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C62H96N12O19
+CH$EXACT_MASS: 1312.691469
+CH$SMILES: CC[C@H](C)[C@@H]1C(=O)N[C@H](C(=O)N/C(=C/C)/C(=O)N[C@H](C(=O)NC(C(=O)N2CCC[C@H]2C(=O)NC(C(C(=O)N[C@H](C(=O)NCC(=O)N3CCC[C@H]3C(=O)N4CCC[C@H]4C(=O)N1)CCC(=O)N)O)CC(CC(C(CC(C)C)O)O)O)CCC5=CC=C(C=C5)OC)[C@@H](C)O)CO
+CH$IUPAC: InChI=1S/C62H96N12O19/c1-8-33(5)50-58(88)69-42(31-75)55(85)65-38(9-2)54(84)71-51(34(6)76)59(89)67-40(21-18-35-16-19-37(93-7)20-17-35)61(91)73-25-10-13-43(73)56(86)68-41(28-36(77)29-47(79)46(78)27-32(3)4)52(82)60(90)66-39(22-23-48(63)80)53(83)64-30-49(81)72-24-12-15-45(72)62(92)74-26-11-14-44(74)57(87)70-50/h9,16-17,19-20,32-34,36,39-47,50-52,75-79,82H,8,10-15,18,21-31H2,1-7H3,(H2,63,80)(H,64,83)(H,65,85)(H,66,90)(H,67,89)(H,68,86)(H,69,88)(H,70,87)(H,71,84)/b38-9+/t33-,34+,36?,39-,40?,41?,42-,43-,44-,45-,46?,47?,50+,51-,52?/m0/s1
+CH$LINK: PUBCHEM CID:44254417
+CH$LINK: INCHIKEY ACFCYNJDAMJVRV-NPTOQFMUSA-N
+CH$LINK: CHEMSPIDER 28286673
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 90-1355
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.716 min
+MS$FOCUSED_ION: BASE_PEAK 1311.6836
+MS$FOCUSED_ION: PRECURSOR_M/Z 1311.6842
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 60613670.71
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00kr-0090000000-227d43e957aa96621fa2
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  752.4199 C35H58N7O11- 20 752.42 -0.14
+  1097.5878 C52H85N6O19- 12 1097.5875 0.3
+  1219.6372 C59H87N12O16- 3 1219.6368 0.29
+  1231.6384 C62H89N9O17- 3 1231.6382 0.2
+  1237.647 C59H89N12O17- 2 1237.6474 -0.34
+  1238.6424 C60H90N10O18- 2 1238.644 -1.34
+  1249.6461 C60H89N12O17- 2 1249.6474 -1.02
+  1250.6409 C61H90N10O18- 1 1250.644 -2.49
+  1263.6618 C61H91N12O17- 1 1263.6631 -1.01
+  1267.6573 C60H91N12O18- 2 1267.658 -0.56
+  1268.6521 C61H92N10O19- 1 1268.6546 -1.91
+  1281.6718 C61H93N12O18- 1 1281.6736 -1.42
+  1293.6718 C62H93N12O18- 1 1293.6736 -1.39
+  1311.681 C62H95N12O19- 1 1311.6842 -2.43
+PK$NUM_PEAK: 14
+PK$PEAK: m/z int. rel.int.
+  752.4199 661365.4 22
+  1097.5878 607377.1 20
+  1219.6372 16009151 546
+  1231.6384 830046 28
+  1237.647 29238230 999
+  1238.6424 2341199.8 79
+  1249.6461 11239571 384
+  1250.6409 907179 30
+  1263.6618 432233.1 14
+  1267.6573 11293278 385
+  1268.6521 945395.9 32
+  1281.6718 348261.7 11
+  1293.6718 516742.8 17
+  1311.681 491770.8 16
+//
diff --git a/Eawag/MSBNK-MLU-ED035253.txt b/Eawag/MSBNK-MLU-ED035253.txt
new file mode 100644
index 0000000000..01c84f22cd
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED035253.txt
@@ -0,0 +1,95 @@
+ACCESSION: MSBNK-MLU-ED035253
+RECORD_TITLE: Lyngbyazothrin A; LC-ESI-QFT; MS2; CE: 25%; R=17500; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], E. N. Zainuddin [dtc], S. Mundt [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 352
+CH$NAME: Lyngbyazothrin A
+CH$NAME: 3-[(3S,12S,19S,28S,31E,34S,37R,40S)-37-[(2S)-butan-2-yl]-31-ethylidene-15-hydroxy-28-[(1R)-1-hydroxyethyl]-34-(hydroxymethyl)-25-[2-(4-methoxyphenyl)ethyl]-2,8,11,14,18,24,27,30,33,36,39-undecaoxo-16-(2,4,5-trihydroxy-7-methyloctyl)-1,7,10,13,17,23,26,29,32,35,38-undecazatetracyclo[38.3.0.03,7.019,23]tritetracontan-12-yl]propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C62H96N12O19
+CH$EXACT_MASS: 1312.691469
+CH$SMILES: CC[C@H](C)[C@@H]1C(=O)N[C@H](C(=O)N/C(=C/C)/C(=O)N[C@H](C(=O)NC(C(=O)N2CCC[C@H]2C(=O)NC(C(C(=O)N[C@H](C(=O)NCC(=O)N3CCC[C@H]3C(=O)N4CCC[C@H]4C(=O)N1)CCC(=O)N)O)CC(CC(C(CC(C)C)O)O)O)CCC5=CC=C(C=C5)OC)[C@@H](C)O)CO
+CH$IUPAC: InChI=1S/C62H96N12O19/c1-8-33(5)50-58(88)69-42(31-75)55(85)65-38(9-2)54(84)71-51(34(6)76)59(89)67-40(21-18-35-16-19-37(93-7)20-17-35)61(91)73-25-10-13-43(73)56(86)68-41(28-36(77)29-47(79)46(78)27-32(3)4)52(82)60(90)66-39(22-23-48(63)80)53(83)64-30-49(81)72-24-12-15-45(72)62(92)74-26-11-14-44(74)57(87)70-50/h9,16-17,19-20,32-34,36,39-47,50-52,75-79,82H,8,10-15,18,21-31H2,1-7H3,(H2,63,80)(H,64,83)(H,65,85)(H,66,90)(H,67,89)(H,68,86)(H,69,88)(H,70,87)(H,71,84)/b38-9+/t33-,34+,36?,39-,40?,41?,42-,43-,44-,45-,46?,47?,50+,51-,52?/m0/s1
+CH$LINK: PUBCHEM CID:44254417
+CH$LINK: INCHIKEY ACFCYNJDAMJVRV-NPTOQFMUSA-N
+CH$LINK: CHEMSPIDER 28286673
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 90-1355
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.716 min
+MS$FOCUSED_ION: BASE_PEAK 1311.6836
+MS$FOCUSED_ION: PRECURSOR_M/Z 1311.6842
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 60613670.71
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-014r-0090000000-8ae22a61c40f8457bceb
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  127.05 C3H5N5O- 1 127.05 -0.01
+  128.0341 C3H4N4O2- 1 128.034 0.82
+  226.1561 C11H20N3O2- 1 226.1561 -0.09
+  264.0989 C12H14N3O4- 2 264.099 -0.35
+  281.1251 C12H17N4O4- 3 281.1255 -1.6
+  309.1205 C13H17N4O5- 7 309.1204 0.07
+  359.1722 C18H23N4O4- 9 359.1725 -0.73
+  387.1663 C18H27O9- 12 387.1661 0.58
+  444.225 C23H26N9O- 13 444.2266 -3.47
+  483.2355 C9H37N7O15- 12 483.2353 0.43
+  501.2459 C24H33N6O6- 13 501.2467 -1.59
+  691.4042 C20H57N11O15- 20 691.4041 0.14
+  693.372 C20H55N9O17- 19 693.3721 -0.24
+  735.3939 C21H57N11O17- 22 735.3939 -0.04
+  752.4198 C35H58N7O11- 20 752.42 -0.3
+  1095.5646 C60H75N10O10- 12 1095.5673 -2.45
+  1123.5689 C56H81N7O17- 10 1123.5694 -0.47
+  1139.5886 C56H83N8O17- 9 1139.5882 0.36
+  1219.6362 C59H87N12O16- 3 1219.6368 -0.51
+  1220.6329 C60H88N10O17- 3 1220.6334 -0.41
+  1237.6465 C59H89N12O17- 2 1237.6474 -0.74
+  1238.6426 C60H90N10O18- 2 1238.644 -1.14
+  1249.6459 C60H89N12O17- 2 1249.6474 -1.21
+  1250.6389 C61H90N10O18- 2 1250.644 -4.05
+  1263.6601 C61H91N12O17- 1 1263.6631 -2.37
+  1267.6567 C60H91N12O18- 2 1267.658 -1.04
+PK$NUM_PEAK: 26
+PK$PEAK: m/z int. rel.int.
+  127.05 248543.6 13
+  128.0341 300035.5 15
+  226.1561 342571 18
+  264.0989 200514.5 10
+  281.1251 224444.8 11
+  309.1205 460840.8 24
+  359.1722 217278 11
+  387.1663 287083.5 15
+  444.225 212616.2 11
+  483.2355 373325.6 19
+  501.2459 333010.3 17
+  691.4042 378264.4 19
+  693.372 216237.7 11
+  735.3939 1069085.5 56
+  752.4198 2974377.2 157
+  1095.5646 487686.7 25
+  1123.5689 1377596.5 72
+  1139.5886 320381.9 16
+  1219.6362 18925872 999
+  1220.6329 2178032.2 114
+  1237.6465 16348858 862
+  1238.6426 1371306.6 72
+  1249.6459 4580497 241
+  1250.6389 404168.7 21
+  1263.6601 294121.5 15
+  1267.6567 1828577 96
+//
diff --git a/Eawag/MSBNK-MLU-ED035254.txt b/Eawag/MSBNK-MLU-ED035254.txt
new file mode 100644
index 0000000000..cd8eaee7c4
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED035254.txt
@@ -0,0 +1,197 @@
+ACCESSION: MSBNK-MLU-ED035254
+RECORD_TITLE: Lyngbyazothrin A; LC-ESI-QFT; MS2; CE: 30%; R=17500; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], E. N. Zainuddin [dtc], S. Mundt [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 352
+CH$NAME: Lyngbyazothrin A
+CH$NAME: 3-[(3S,12S,19S,28S,31E,34S,37R,40S)-37-[(2S)-butan-2-yl]-31-ethylidene-15-hydroxy-28-[(1R)-1-hydroxyethyl]-34-(hydroxymethyl)-25-[2-(4-methoxyphenyl)ethyl]-2,8,11,14,18,24,27,30,33,36,39-undecaoxo-16-(2,4,5-trihydroxy-7-methyloctyl)-1,7,10,13,17,23,26,29,32,35,38-undecazatetracyclo[38.3.0.03,7.019,23]tritetracontan-12-yl]propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C62H96N12O19
+CH$EXACT_MASS: 1312.691469
+CH$SMILES: CC[C@H](C)[C@@H]1C(=O)N[C@H](C(=O)N/C(=C/C)/C(=O)N[C@H](C(=O)NC(C(=O)N2CCC[C@H]2C(=O)NC(C(C(=O)N[C@H](C(=O)NCC(=O)N3CCC[C@H]3C(=O)N4CCC[C@H]4C(=O)N1)CCC(=O)N)O)CC(CC(C(CC(C)C)O)O)O)CCC5=CC=C(C=C5)OC)[C@@H](C)O)CO
+CH$IUPAC: InChI=1S/C62H96N12O19/c1-8-33(5)50-58(88)69-42(31-75)55(85)65-38(9-2)54(84)71-51(34(6)76)59(89)67-40(21-18-35-16-19-37(93-7)20-17-35)61(91)73-25-10-13-43(73)56(86)68-41(28-36(77)29-47(79)46(78)27-32(3)4)52(82)60(90)66-39(22-23-48(63)80)53(83)64-30-49(81)72-24-12-15-45(72)62(92)74-26-11-14-44(74)57(87)70-50/h9,16-17,19-20,32-34,36,39-47,50-52,75-79,82H,8,10-15,18,21-31H2,1-7H3,(H2,63,80)(H,64,83)(H,65,85)(H,66,90)(H,67,89)(H,68,86)(H,69,88)(H,70,87)(H,71,84)/b38-9+/t33-,34+,36?,39-,40?,41?,42-,43-,44-,45-,46?,47?,50+,51-,52?/m0/s1
+CH$LINK: PUBCHEM CID:44254417
+CH$LINK: INCHIKEY ACFCYNJDAMJVRV-NPTOQFMUSA-N
+CH$LINK: CHEMSPIDER 28286673
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 90-1355
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.716 min
+MS$FOCUSED_ION: BASE_PEAK 1311.6836
+MS$FOCUSED_ION: PRECURSOR_M/Z 1311.6842
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 60613670.71
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00p0-0591020100-f015abe71161de0bc46d
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  98.0234 C2H2N4O- 1 98.0234 -0.45
+  99.0186 CHN5O- 1 99.0187 -1.09
+  99.0437 C3H5N3O- 1 99.0438 -0.91
+  99.0548 C2H5N5- 1 99.055 -2.1
+  100.0389 C2H4N4O- 1 100.0391 -1.26
+  111.0549 C3H5N5- 1 111.055 -1.01
+  113.0706 C3H7N5- 1 113.0707 -1.15
+  114.0547 C3H6N4O- 1 114.0547 -0.15
+  115.075 C4H9N3O- 1 115.0751 -0.64
+  121.0394 C4H3N5- 1 121.0394 -0.36
+  123.0551 C4H5N5- 1 123.055 0.35
+  125.0343 C3H3N5O- 1 125.0343 -0.09
+  126.0183 C3H2N4O2- 1 126.0183 0.03
+  127.05 C3H5N5O- 1 127.05 0.35
+  128.034 C3H4N4O2- 1 128.034 0.46
+  129.1017 C4H11N5- 1 129.102 -2.62
+  130.0497 C3H6N4O2- 1 130.0496 0.67
+  138.0664 C4H6N6- 1 138.0659 3.53
+  139.0505 C4H5N5O- 1 139.05 3.67
+  141.0662 C4H7N5O- 1 141.0656 3.99
+  145.0612 C5H9N2O3- 2 145.0619 -4.74
+  151.0508 C7H7N2O2- 1 151.0513 -3.19
+  153.0663 C7H9N2O2- 2 153.067 -4.42
+  154.0615 C4H6N6O- 2 154.0609 3.89
+  155.0458 C6H7N2O3- 1 155.0462 -2.9
+  155.082 C7H11N2O2- 2 155.0826 -3.74
+  156.0773 C6H10N3O2- 1 156.0779 -3.33
+  163.051 C8H7N2O2- 1 163.0513 -1.77
+  165.0663 C8H9N2O2- 2 165.067 -4.22
+  167.0458 C7H7N2O3- 1 167.0462 -2.32
+  168.0772 C7H10N3O2- 2 168.0779 -3.97
+  169.0978 C8H13N2O2- 1 169.0983 -2.44
+  176.046 C8H6N3O2- 2 176.0466 -2.98
+  178.062 C8H8N3O2- 1 178.0622 -1.04
+  179.0455 C8H7N2O3- 2 179.0462 -4
+  180.0774 C8H10N3O2- 1 180.0779 -2.33
+  184.0725 C7H10N3O3- 1 184.0728 -1.45
+  185.0566 C7H9N2O4- 1 185.0568 -0.94
+  196.0724 C8H10N3O3- 1 196.0728 -1.84
+  206.0573 C9H8N3O3- 1 206.0571 1.11
+  209.1297 C11H17N2O2- 1 209.1296 0.53
+  210.0876 C9H12N3O3- 2 210.0884 -3.8
+  211.0722 C9H11N2O4- 1 211.0724 -1.04
+  226.156 C11H20N3O2- 1 226.1561 -0.23
+  230.0817 C13H12NO3- 2 230.0823 -2.51
+  243.1242 C12H19O5- 3 243.1238 1.5
+  245.0931 C13H13N2O3- 2 245.0932 -0.37
+  247.1091 C13H15N2O3- 2 247.1088 1
+  255.0986 C10H9N9- 2 255.0986 -0.17
+  260.1505 C12H22NO5- 3 260.1503 0.71
+  264.099 C12H14N3O4- 3 264.099 0.23
+  281.1256 C12H17N4O4- 3 281.1255 0.36
+  283.1773 C13H23N4O3- 4 283.1776 -1.02
+  291.1101 C13H15N4O4- 4 291.1099 0.63
+  298.1524 C13H16N9- 3 298.1534 -3.34
+  309.1204 C12H11N11- 7 309.1204 -0.01
+  321.1553 C13H19N7O3- 6 321.1555 -0.55
+  323.2086 C16H27N4O3- 8 323.2089 -0.8
+  329.2077 CH35N3O15- 7 329.2074 1.03
+  343.1776 C3H29N5O13- 8 343.1767 2.54
+  344.1611 C18H22N3O4- 8 344.1616 -1.51
+  359.1723 C18H23N4O4- 9 359.1725 -0.48
+  444.2257 C23H26N9O- 12 444.2266 -1.96
+  491.2623 C23H35N6O6- 12 491.2624 -0.06
+  501.2468 C24H33N6O6- 12 501.2467 0.24
+  525.2563 C23H31N11O4- 15 525.2566 -0.58
+  691.4042 C20H57N11O15- 20 691.4041 0.14
+  693.372 C20H55N9O17- 19 693.3721 -0.24
+  735.394 C21H57N11O17- 20 735.3939 0.13
+  752.4199 C35H58N7O11- 20 752.42 -0.14
+  1097.5879 C52H85N6O19- 12 1097.5875 0.41
+  1123.5688 C56H81N7O17- 10 1123.5694 -0.58
+  1193.6528 C55H91N11O18- 5 1193.6549 -1.75
+  1219.6368 C59H87N12O16- 3 1219.6368 -0.01
+  1220.6324 C60H88N10O17- 3 1220.6334 -0.81
+  1237.6474 C59H89N12O17- 2 1237.6474 -0.05
+  1249.647 C60H89N12O17- 2 1249.6474 -0.33
+PK$NUM_PEAK: 77
+PK$PEAK: m/z int. rel.int.
+  98.0234 136037.5 34
+  99.0186 201842.9 50
+  99.0437 88928.8 22
+  99.0548 93955.2 23
+  100.0389 135308.9 34
+  111.0549 256496.9 64
+  113.0706 381088.8 95
+  114.0547 179343.6 45
+  115.075 172871 43
+  121.0394 208682 52
+  123.0551 237751 59
+  125.0343 156614 39
+  126.0183 189743.5 47
+  127.05 1484528.6 373
+  128.034 812930 204
+  129.1017 44411.5 11
+  130.0497 53101.8 13
+  138.0664 74545.4 18
+  139.0505 591688.4 148
+  141.0662 63388.8 15
+  145.0612 316275.2 79
+  151.0508 155882.5 39
+  153.0663 1034490.5 259
+  154.0615 102108.5 25
+  155.0458 679836.5 170
+  155.082 98247.1 24
+  156.0773 236810.5 59
+  163.051 146149.7 36
+  165.0663 101037.3 25
+  167.0458 345081 86
+  168.0772 84602.9 21
+  169.0978 270686 68
+  176.046 80402.7 20
+  178.062 458635.4 115
+  179.0455 167664.2 42
+  180.0774 167110.3 41
+  184.0725 236685.7 59
+  185.0566 260194.1 65
+  196.0724 84893.4 21
+  206.0573 246049.5 61
+  209.1297 135080 33
+  210.0876 89839.7 22
+  211.0722 97445.8 24
+  226.156 2536388.2 637
+  230.0817 149773.1 37
+  243.1242 318682 80
+  245.0931 103608.5 26
+  247.1091 149172.4 37
+  255.0986 267317.2 67
+  260.1505 122530 30
+  264.099 664397.9 166
+  281.1256 1286142.8 323
+  283.1773 409213.7 102
+  291.1101 525354.3 132
+  298.1524 171212.7 43
+  309.1204 1748400.5 439
+  321.1553 106791.4 26
+  323.2086 271282.4 68
+  329.2077 219403 55
+  343.1776 52944.7 13
+  344.1611 47806.2 12
+  359.1723 194973.5 48
+  444.2257 453369.8 113
+  491.2623 592847.9 148
+  501.2468 669979.4 168
+  525.2563 3462512.5 870
+  691.4042 707491.9 177
+  693.372 316969.3 79
+  735.394 1242612.6 312
+  752.4199 1932699.9 485
+  1097.5879 698666.2 175
+  1123.5688 313395 78
+  1193.6528 168728.1 42
+  1219.6368 3975169.5 999
+  1220.6324 560632.4 140
+  1237.6474 3868130 972
+  1249.647 730794.7 183
+//
diff --git a/Eawag/MSBNK-MLU-ED035255.txt b/Eawag/MSBNK-MLU-ED035255.txt
new file mode 100644
index 0000000000..95fe147315
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED035255.txt
@@ -0,0 +1,291 @@
+ACCESSION: MSBNK-MLU-ED035255
+RECORD_TITLE: Lyngbyazothrin A; LC-ESI-QFT; MS2; CE: 40%; R=17500; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], E. N. Zainuddin [dtc], S. Mundt [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 352
+CH$NAME: Lyngbyazothrin A
+CH$NAME: 3-[(3S,12S,19S,28S,31E,34S,37R,40S)-37-[(2S)-butan-2-yl]-31-ethylidene-15-hydroxy-28-[(1R)-1-hydroxyethyl]-34-(hydroxymethyl)-25-[2-(4-methoxyphenyl)ethyl]-2,8,11,14,18,24,27,30,33,36,39-undecaoxo-16-(2,4,5-trihydroxy-7-methyloctyl)-1,7,10,13,17,23,26,29,32,35,38-undecazatetracyclo[38.3.0.03,7.019,23]tritetracontan-12-yl]propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C62H96N12O19
+CH$EXACT_MASS: 1312.691469
+CH$SMILES: CC[C@H](C)[C@@H]1C(=O)N[C@H](C(=O)N/C(=C/C)/C(=O)N[C@H](C(=O)NC(C(=O)N2CCC[C@H]2C(=O)NC(C(C(=O)N[C@H](C(=O)NCC(=O)N3CCC[C@H]3C(=O)N4CCC[C@H]4C(=O)N1)CCC(=O)N)O)CC(CC(C(CC(C)C)O)O)O)CCC5=CC=C(C=C5)OC)[C@@H](C)O)CO
+CH$IUPAC: InChI=1S/C62H96N12O19/c1-8-33(5)50-58(88)69-42(31-75)55(85)65-38(9-2)54(84)71-51(34(6)76)59(89)67-40(21-18-35-16-19-37(93-7)20-17-35)61(91)73-25-10-13-43(73)56(86)68-41(28-36(77)29-47(79)46(78)27-32(3)4)52(82)60(90)66-39(22-23-48(63)80)53(83)64-30-49(81)72-24-12-15-45(72)62(92)74-26-11-14-44(74)57(87)70-50/h9,16-17,19-20,32-34,36,39-47,50-52,75-79,82H,8,10-15,18,21-31H2,1-7H3,(H2,63,80)(H,64,83)(H,65,85)(H,66,90)(H,67,89)(H,68,86)(H,69,88)(H,70,87)(H,71,84)/b38-9+/t33-,34+,36?,39-,40?,41?,42-,43-,44-,45-,46?,47?,50+,51-,52?/m0/s1
+CH$LINK: PUBCHEM CID:44254417
+CH$LINK: INCHIKEY ACFCYNJDAMJVRV-NPTOQFMUSA-N
+CH$LINK: CHEMSPIDER 28286673
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 90-1355
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.716 min
+MS$FOCUSED_ION: BASE_PEAK 1311.6836
+MS$FOCUSED_ION: PRECURSOR_M/Z 1311.6842
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 60613670.71
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-004i-0940000000-e619b63b7b821dde5e32
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  95.0237 C2HN5- 1 95.0237 0.03
+  96.0441 C3H4N4- 1 96.0441 -0.43
+  97.0393 C2H3N5- 1 97.0394 -1.24
+  98.0234 C2H2N4O- 1 98.0234 -0.45
+  99.0187 CHN5O- 1 99.0187 0.22
+  99.0439 C3H5N3O- 1 99.0438 1.24
+  99.0549 C2H5N5- 1 99.055 -1.33
+  100.039 C2H4N4O- 1 100.0391 -0.12
+  101.0342 CH3N5O- 1 101.0343 -0.77
+  101.0707 C2H7N5- 1 101.0707 -0.1
+  109.0394 C3H3N5- 1 109.0394 -0.14
+  110.0233 C3H2N4O- 1 110.0234 -0.67
+  111.0185 C2HN5O- 1 111.0187 -1.27
+  111.055 C3H5N5- 1 111.055 -0.6
+  113.0343 C2H3N5O- 1 113.0343 0.27
+  113.0707 C3H7N5- 1 113.0707 -0.21
+  114.0547 C3H6N4O- 1 114.0547 0.32
+  115.0751 C4H9N3O- 1 115.0751 -0.44
+  121.0394 C4H3N5- 1 121.0394 -0.17
+  122.0598 C5H6N4- 1 122.0598 0
+  123.055 C4H5N5- 1 123.055 -0.27
+  124.0391 C4H4N4O- 1 124.0391 0.42
+  125.0343 C3H3N5O- 1 125.0343 -0.03
+  125.0705 C4H7N5- 1 125.0707 -1.19
+  126.0184 C3H2N4O2- 1 126.0183 0.64
+  126.0547 C4H6N4O- 1 126.0547 -0.03
+  127.05 C3H5N5O- 1 127.05 0.29
+  128.0341 C3H4N4O2- 1 128.034 0.94
+  129.091 C5H11N3O- 1 129.0908 1.77
+  129.1021 C4H11N5- 1 129.102 0.69
+  130.0498 C3H6N4O2- 1 130.0496 1.37
+  135.0554 C5H5N5- 1 135.055 2.61
+  137.0347 C4H3N5O- 1 137.0343 2.6
+  137.0711 C5H7N5- 1 137.0707 2.66
+  138.0664 C4H6N6- 1 138.0659 3.31
+  139.0505 C4H5N5O- 1 139.05 3.89
+  140.0345 C4H4N4O2- 1 140.034 3.75
+  140.0822 C4H8N6- 1 140.0816 4.11
+  141.0662 C4H7N5O- 1 141.0656 4.1
+  141.0913 C6H11N3O- 1 141.0908 3.96
+  142.0504 C6H8NO3- 1 142.051 -3.8
+  144.0659 C4H8N4O2- 1 144.0653 4.01
+  144.0772 C5H10N3O2- 2 144.0779 -4.59
+  145.0612 C5H9N2O3- 2 145.0619 -4.74
+  149.035 C7H5N2O2- 2 149.0357 -4.22
+  149.0715 C8H9N2O- 1 149.072 -3.46
+  151.0507 C7H7N2O2- 1 151.0513 -3.7
+  151.087 C8H11N2O- 2 151.0877 -4.46
+  153.0664 C7H9N2O2- 1 153.067 -3.43
+  154.0612 C4H6N6O- 1 154.0609 2.11
+  155.0457 C6H7N2O3- 1 155.0462 -3.39
+  155.0819 C7H11N2O2- 2 155.0826 -4.23
+  156.0773 C6H10N3O2- 1 156.0779 -3.43
+  158.093 C6H12N3O2- 1 158.0935 -3.27
+  163.0508 C8H7N2O2- 1 163.0513 -2.98
+  165.0667 C8H9N2O2- 1 165.067 -1.64
+  165.1396 C10H17N2- 1 165.1397 -1
+  166.0619 C7H8N3O2- 1 166.0622 -1.51
+  167.0459 C7H7N2O3- 1 167.0462 -2.04
+  167.0824 C8H11N2O2- 1 167.0826 -1.46
+  168.0777 C7H10N3O2- 1 168.0779 -1.16
+  169.0978 C8H13N2O2- 1 169.0983 -2.44
+  170.0931 C7H12N3O2- 1 170.0935 -2.14
+  176.0462 C8H6N3O2- 1 176.0466 -2.2
+  177.0539 C8H7N3O2- 2 177.0544 -2.96
+  178.0621 C8H8N3O2- 1 178.0622 -0.61
+  179.0459 C8H7N2O3- 1 179.0462 -1.61
+  179.0821 C9H11N2O2- 2 179.0826 -2.77
+  180.0779 C8H10N3O2- 1 180.0779 0.04
+  181.0618 C8H9N2O3- 1 181.0619 -0.45
+  181.0978 C9H13N2O2- 2 181.0983 -2.43
+  181.1348 C10H17N2O- 1 181.1346 0.72
+  184.0727 C7H10N3O3- 1 184.0728 -0.13
+  185.0568 C7H9N2O4- 1 185.0568 0.13
+  190.0622 C9H8N3O2- 1 190.0622 0.18
+  191.0461 C9H7N2O3- 1 191.0462 -0.77
+  191.1187 C11H15N2O- 1 191.119 -1.34
+  192.0774 C9H10N3O2- 2 192.0779 -2.57
+  193.0984 C10H13N2O2- 1 193.0983 0.9
+  195.0768 C9H11N2O3- 2 195.0775 -3.42
+  195.114 C10H15N2O2- 1 195.1139 0.29
+  208.146 C11H18N3O- 2 208.1455 1.99
+  209.1047 C9H13N4O2- 2 209.1044 1.65
+  209.1295 C11H17N2O2- 1 209.1296 -0.35
+  210.0877 C9H12N3O3- 2 210.0884 -3.44
+  210.1252 C10H16N3O2- 2 210.1248 2.11
+  211.0723 C9H11N2O4- 1 211.0724 -0.75
+  212.0678 C8H10N3O4- 1 212.0677 0.46
+  222.1606 C10H18N6- 2 222.1598 3.41
+  226.156 C11H20N3O2- 1 226.1561 -0.29
+  227.1596 C6H21N5O4- 3 227.1599 -1.55
+  230.082 C13H12NO3- 2 230.0823 -0.98
+  233.0932 C12H13N2O3- 1 233.0932 0.21
+  236.1045 C11H14N3O3- 2 236.1041 1.76
+  238.0832 C10H12N3O4- 2 238.0833 -0.71
+  238.1195 C11H16N3O3- 2 238.1197 -1.07
+  240.1716 C12H22N3O2- 1 240.1718 -0.51
+  243.1241 C12H19O5- 3 243.1238 1.18
+  245.0926 C13H13N2O3- 3 245.0932 -2.42
+  247.1087 C13H15N2O3- 2 247.1088 -0.35
+  248.1037 C12H14N3O3- 2 248.1041 -1.41
+  249.1356 C12H17N4O2- 3 249.1357 -0.42
+  250.1195 C12H16N3O3- 2 250.1197 -1.03
+  252.1353 C12H18N3O3- 1 252.1354 -0.17
+  255.0984 C10H9N9- 3 255.0986 -0.77
+  263.1155 C12H15N4O3- 2 263.115 1.92
+  264.099 C12H14N3O4- 3 264.099 0.11
+  265.167 C13H21N4O2- 4 265.167 -0.15
+  268.1667 C13H22N3O3- 3 268.1667 0.31
+  280.1412 C12H18N5O3- 3 280.1415 -1
+  281.1256 C12H17N4O4- 5 281.1255 0.14
+  283.1773 C13H23N4O3- 4 283.1776 -0.81
+  286.1561 C16H20N3O2- 7 286.1561 -0.01
+  291.11 C13H15N4O4- 6 291.1099 0.32
+  305.198 C16H25N4O2- 7 305.1983 -0.94
+  309.1206 C13H17N4O5- 7 309.1204 0.47
+  326.1495 C16H18N6O2- 8 326.1497 -0.43
+  329.2075 CH35N3O15- 7 329.2074 0.38
+  343.1777 C3H29N5O13- 8 343.1767 2.72
+  344.1611 C18H22N3O4- 8 344.1616 -1.51
+  361.1866 C16H23N7O3- 9 361.1868 -0.65
+  387.1662 C18H27O9- 12 387.1661 0.35
+  483.2355 C9H37N7O15- 12 483.2353 0.49
+  525.2563 C23H31N11O4- 15 525.2566 -0.58
+PK$NUM_PEAK: 124
+PK$PEAK: m/z int. rel.int.
+  95.0237 56129 11
+  96.0441 66915.3 13
+  97.0393 134127.4 27
+  98.0234 301598.6 61
+  99.0187 364930 74
+  99.0439 143518.5 29
+  99.0549 315322.8 64
+  100.039 175095.8 35
+  101.0342 54371 11
+  101.0707 51073.2 10
+  109.0394 278865.2 56
+  110.0233 51997 10
+  111.0185 85341.1 17
+  111.055 1255529.4 255
+  113.0343 222048.4 45
+  113.0707 1749731 356
+  114.0547 365931.8 74
+  115.0751 388168.3 79
+  121.0394 715223.8 145
+  122.0598 57726.3 11
+  123.055 561514.1 114
+  124.0391 263630.9 53
+  125.0343 607312.6 123
+  125.0705 126721.8 25
+  126.0184 236661.5 48
+  126.0547 214068.8 43
+  127.05 3791597.2 772
+  128.0341 846296.8 172
+  129.091 109957.9 22
+  129.1021 275555.6 56
+  130.0498 105954.9 21
+  135.0554 164636.6 33
+  137.0347 68706.7 13
+  137.0711 95899.8 19
+  138.0664 306565.6 62
+  139.0505 1266451 257
+  140.0345 113054.7 23
+  140.0822 213229.7 43
+  141.0662 217102.7 44
+  141.0913 97667 19
+  142.0504 59992.5 12
+  144.0659 362438.6 73
+  144.0772 140646.2 28
+  145.0612 227056.7 46
+  149.035 50861.6 10
+  149.0715 91817.8 18
+  151.0507 325966 66
+  151.087 54379.4 11
+  153.0664 3727479.5 759
+  154.0612 212229.5 43
+  155.0457 836131.6 170
+  155.0819 362524.9 73
+  156.0773 467464.2 95
+  158.093 68105.9 13
+  163.0508 363326.9 74
+  165.0667 165533.3 33
+  165.1396 66668.4 13
+  166.0619 145638.6 29
+  167.0459 761113.6 155
+  167.0824 169189.3 34
+  168.0777 292261.5 59
+  169.0978 1009660.2 205
+  170.0931 493453.6 100
+  176.0462 109443.2 22
+  177.0539 85623.6 17
+  178.0621 547786.7 111
+  179.0459 339728.1 69
+  179.0821 64639 13
+  180.0779 171596.4 34
+  181.0618 109357.3 22
+  181.0978 55990.2 11
+  181.1348 208347.3 42
+  184.0727 392415.9 79
+  185.0568 150820.3 30
+  190.0622 49557.7 10
+  191.0461 55554.6 11
+  191.1187 163560.3 33
+  192.0774 64395.2 13
+  193.0984 147413.7 30
+  195.0768 95660.8 19
+  195.114 88420.3 18
+  208.146 175796.8 35
+  209.1047 111741.2 22
+  209.1295 370202.6 75
+  210.0877 223685.2 45
+  210.1252 53143.8 10
+  211.0723 324168.9 66
+  212.0678 53550.2 10
+  222.1606 78658.5 16
+  226.156 4904695.5 999
+  227.1596 69066.6 14
+  230.082 326593.9 66
+  233.0932 74407.2 15
+  236.1045 71107.7 14
+  238.0832 80556.6 16
+  238.1195 57945.9 11
+  240.1716 198297 40
+  243.1241 125023.2 25
+  245.0926 168579.7 34
+  247.1087 425769 86
+  248.1037 81462.5 16
+  249.1356 53080 10
+  250.1195 169270.7 34
+  252.1353 182555.2 37
+  255.0984 152395.8 31
+  263.1155 204783.2 41
+  264.099 705199.6 143
+  265.167 135313.8 27
+  268.1667 247688.9 50
+  280.1412 173827.5 35
+  281.1256 1504975.1 306
+  283.1773 479791.9 97
+  286.1561 322788.6 65
+  291.11 651344.2 132
+  305.198 66034.5 13
+  309.1206 1177059.4 239
+  326.1495 232214.5 47
+  329.2075 102786.7 20
+  343.1777 151106.8 30
+  344.1611 75989.2 15
+  361.1866 112162.8 22
+  387.1662 115104.8 23
+  483.2355 109326.2 22
+  525.2563 899578.6 183
+//
diff --git a/Eawag/MSBNK-MLU-ED035256.txt b/Eawag/MSBNK-MLU-ED035256.txt
new file mode 100644
index 0000000000..da02338559
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED035256.txt
@@ -0,0 +1,243 @@
+ACCESSION: MSBNK-MLU-ED035256
+RECORD_TITLE: Lyngbyazothrin A; LC-ESI-QFT; MS2; CE: 50%; R=17500; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], E. N. Zainuddin [dtc], S. Mundt [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 352
+CH$NAME: Lyngbyazothrin A
+CH$NAME: 3-[(3S,12S,19S,28S,31E,34S,37R,40S)-37-[(2S)-butan-2-yl]-31-ethylidene-15-hydroxy-28-[(1R)-1-hydroxyethyl]-34-(hydroxymethyl)-25-[2-(4-methoxyphenyl)ethyl]-2,8,11,14,18,24,27,30,33,36,39-undecaoxo-16-(2,4,5-trihydroxy-7-methyloctyl)-1,7,10,13,17,23,26,29,32,35,38-undecazatetracyclo[38.3.0.03,7.019,23]tritetracontan-12-yl]propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C62H96N12O19
+CH$EXACT_MASS: 1312.691469
+CH$SMILES: CC[C@H](C)[C@@H]1C(=O)N[C@H](C(=O)N/C(=C/C)/C(=O)N[C@H](C(=O)NC(C(=O)N2CCC[C@H]2C(=O)NC(C(C(=O)N[C@H](C(=O)NCC(=O)N3CCC[C@H]3C(=O)N4CCC[C@H]4C(=O)N1)CCC(=O)N)O)CC(CC(C(CC(C)C)O)O)O)CCC5=CC=C(C=C5)OC)[C@@H](C)O)CO
+CH$IUPAC: InChI=1S/C62H96N12O19/c1-8-33(5)50-58(88)69-42(31-75)55(85)65-38(9-2)54(84)71-51(34(6)76)59(89)67-40(21-18-35-16-19-37(93-7)20-17-35)61(91)73-25-10-13-43(73)56(86)68-41(28-36(77)29-47(79)46(78)27-32(3)4)52(82)60(90)66-39(22-23-48(63)80)53(83)64-30-49(81)72-24-12-15-45(72)62(92)74-26-11-14-44(74)57(87)70-50/h9,16-17,19-20,32-34,36,39-47,50-52,75-79,82H,8,10-15,18,21-31H2,1-7H3,(H2,63,80)(H,64,83)(H,65,85)(H,66,90)(H,67,89)(H,68,86)(H,69,88)(H,70,87)(H,71,84)/b38-9+/t33-,34+,36?,39-,40?,41?,42-,43-,44-,45-,46?,47?,50+,51-,52?/m0/s1
+CH$LINK: PUBCHEM CID:44254417
+CH$LINK: INCHIKEY ACFCYNJDAMJVRV-NPTOQFMUSA-N
+CH$LINK: CHEMSPIDER 28286673
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 90-1355
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.716 min
+MS$FOCUSED_ION: BASE_PEAK 1311.6836
+MS$FOCUSED_ION: PRECURSOR_M/Z 1311.6842
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 60613670.71
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0h00-0920000000-cc932e2e66abbcdb94f9
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  97.0394 C2H3N5- 1 97.0394 -0.29
+  98.0597 C3H6N4- 1 98.0598 -0.46
+  99.0186 CHN5O- 1 99.0187 -0.32
+  99.055 C2H5N5- 1 99.055 -0.25
+  100.039 C2H4N4O- 1 100.0391 -0.65
+  101.0341 CH3N5O- 1 101.0343 -1.98
+  101.0708 C2H7N5- 1 101.0707 1.03
+  106.041 C5H4N3- 1 106.0411 -0.74
+  108.0077 C3N4O- 1 108.0078 -0.33
+  108.0439 C4H4N4- 1 108.0441 -2.46
+  109.0393 C3H3N5- 1 109.0394 -0.56
+  110.0598 C4H6N4- 1 110.0598 0.22
+  111.0187 C2HN5O- 1 111.0187 0.58
+  111.055 C3H5N5- 1 111.055 -0.12
+  112.039 C3H4N4O- 1 112.0391 -0.35
+  113.0343 C2H3N5O- 1 113.0343 0
+  113.0707 C3H7N5- 1 113.0707 -0.21
+  114.0547 C3H6N4O- 1 114.0547 -0.35
+  115.0751 C4H9N3O- 1 115.0751 -0.11
+  121.0394 C4H3N5- 1 121.0394 -0.04
+  122.0598 C5H6N4- 1 122.0598 -0.13
+  123.055 C4H5N5- 1 123.055 -0.39
+  124.039 C4H4N4O- 1 124.0391 -0.13
+  124.0756 C5H8N4- 1 124.0754 1.03
+  125.0343 C3H3N5O- 1 125.0343 -0.03
+  125.0705 C4H7N5- 1 125.0707 -1.25
+  126.0184 C3H2N4O2- 1 126.0183 0.27
+  126.0549 C4H6N4O- 1 126.0547 1.6
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+  129.1019 C4H11N5- 1 129.102 -0.61
+  130.0608 C2H6N6O- 1 130.0609 -0.17
+  135.0553 C5H5N5- 1 135.055 2.16
+  137.071 C5H7N5- 1 137.0707 2.55
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+  138.0664 C4H6N6- 1 138.0659 3.2
+  139.0505 C4H5N5O- 1 139.05 3.56
+  140.0709 C5H8N4O- 1 140.0704 3.69
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+  141.0663 C4H7N5O- 2 141.0656 4.64
+  144.0658 C4H8N4O2- 1 144.0653 3.48
+  145.0614 C5H9N2O3- 1 145.0619 -3.16
+  150.0554 C6H6N4O- 2 150.0547 4.91
+  150.0667 C7H8N3O- 2 150.0673 -4.06
+  151.0147 C6H3N2O3- 1 151.0149 -1.62
+  151.0507 C7H7N2O2- 2 151.0513 -4.1
+  151.0872 C8H11N2O- 1 151.0877 -3.15
+  152.0824 C7H10N3O- 1 152.0829 -3.27
+  153.0664 C7H9N2O2- 1 153.067 -3.33
+  155.0458 C6H7N2O3- 1 155.0462 -3
+  155.0821 C7H11N2O2- 1 155.0826 -3.44
+  156.0773 C6H10N3O2- 2 156.0779 -3.72
+  158.0931 C6H12N3O2- 1 158.0935 -2.6
+  163.0509 C8H7N2O2- 1 163.0513 -2.23
+  165.0665 C8H9N2O2- 1 165.067 -2.65
+  165.1395 C10H17N2- 1 165.1397 -1.09
+  167.0458 C7H7N2O3- 1 167.0462 -2.68
+  168.0778 C7H10N3O2- 1 168.0779 -0.25
+  169.0979 C8H13N2O2- 1 169.0983 -1.98
+  170.093 C7H12N3O2- 2 170.0935 -3.04
+  171.1134 C8H15N2O2- 2 171.1139 -3.22
+  176.0465 C8H6N3O2- 1 176.0466 -0.11
+  177.0542 C8H7N3O2- 1 177.0544 -1.24
+  178.0622 C8H8N3O2- 1 178.0622 -0.1
+  179.0459 C8H7N2O3- 1 179.0462 -1.53
+  179.0823 C9H11N2O2- 1 179.0826 -1.49
+  180.0777 C8H10N3O2- 1 180.0779 -1.06
+  181.1344 C10H17N2O- 1 181.1346 -1.13
+  183.15 C10H19N2O- 1 183.1503 -1.8
+  184.0728 C7H10N3O3- 1 184.0728 0.29
+  185.0567 C7H9N2O4- 1 185.0568 -0.36
+  186.0922 C12H12NO- 1 186.0924 -1.12
+  191.1186 C11H15N2O- 1 191.119 -1.82
+  195.077 C9H11N2O3- 2 195.0775 -2.56
+  195.1141 C10H15N2O2- 1 195.1139 0.92
+  196.0723 C8H10N3O3- 2 196.0728 -2.16
+  208.1456 C11H18N3O- 1 208.1455 0.16
+  209.1044 C9H13N4O2- 1 209.1044 0.04
+  209.1294 C11H17N2O2- 1 209.1296 -0.93
+  210.0882 C9H12N3O3- 1 210.0884 -0.97
+  210.1243 C10H16N3O2- 2 210.1248 -2.61
+  211.0721 C9H11N2O4- 2 211.0724 -1.4
+  224.1411 C13H20O3- 2 224.1418 -3.17
+  226.156 C11H20N3O2- 1 226.1561 -0.29
+  230.0821 C13H12NO3- 1 230.0823 -0.72
+  238.0834 C10H12N3O4- 1 238.0833 0.19
+  245.0925 C13H13N2O3- 2 245.0932 -2.92
+  247.1085 C13H15N2O3- 3 247.1088 -1.47
+  263.1147 C12H15N4O3- 3 263.115 -0.98
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+  309.1199 C12H11N11- 5 309.1204 -1.79
+  323.2091 C16H27N4O3- 8 323.2089 0.62
+  326.1504 C16H18N6O2- 8 326.1497 2.09
+  348.2033 C2H32N6O13- 8 348.2033 0.14
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+//
diff --git a/Eawag/MSBNK-MLU-ED035501.txt b/Eawag/MSBNK-MLU-ED035501.txt
new file mode 100644
index 0000000000..cd229581a9
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED035501.txt
@@ -0,0 +1,52 @@
+ACCESSION: MSBNK-MLU-ED035501
+RECORD_TITLE: Lyngbyazothrin B; LC-ESI-QFT; MS2; CE: 15%; R=17500; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], E. N. Zainuddin [dtc], S. Mundt [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 355
+CH$NAME: Lyngbyazothrin B
+CH$NAME: 3-[(3S,12S,19S,28S,31E,34S,37R,40S)-37-[(2S)-butan-2-yl]-31-ethylidene-15-hydroxy-28-[(1R)-1-hydroxyethyl]-34-(hydroxymethyl)-2,8,11,14,18,24,27,30,33,36,39-undecaoxo-25-(2-phenylethyl)-16-(2,4,5-trihydroxy-7-methyloctyl)-1,7,10,13,17,23,26,29,32,35,38-undecazatetracyclo[38.3.0.03,7.019,23]tritetracontan-12-yl]propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C61H94N12O18
+CH$EXACT_MASS: 1282.680904
+CH$SMILES: [H]C1=CC=C(CCC2NC([C@@H](NC(/C(NC([C@@H](NC([C@H](NC([C@@H]3CCCN3C([C@H]4N(C(CNC([C@@H](NC(C(O)C(CC(O[H])CC(O)C(O)CC(C)C)NC([C@@H]5CCCN5C2=O)=O)=O)CCC(N)=O)=O)=O)CCC4)=O)=O)[C@@H](C)CC)=O)CO)=O)=C\C)=O)[C@@H](C)O)=O)C=C1
+CH$IUPAC: InChI=1S/C61H94N12O18/c1-7-33(5)49-57(87)68-41(31-74)54(84)64-37(8-2)53(83)70-50(34(6)75)58(88)66-39(21-20-35-15-10-9-11-16-35)60(90)72-25-12-17-42(72)55(85)67-40(28-36(76)29-46(78)45(77)27-32(3)4)51(81)59(89)65-38(22-23-47(62)79)52(82)63-30-48(80)71-24-14-19-44(71)61(91)73-26-13-18-43(73)56(86)69-49/h8-11,15-16,32-34,36,38-46,49-51,74-78,81H,7,12-14,17-31H2,1-6H3,(H2,62,79)(H,63,82)(H,64,84)(H,65,89)(H,66,88)(H,67,85)(H,68,87)(H,69,86)(H,70,83)/b37-8+/t33-,34+,36?,38-,39?,40?,41-,42-,43-,44-,45?,46?,49+,50-,51?/m0/s1
+CH$LINK: PUBCHEM CID:44254416
+CH$LINK: INCHIKEY OCPKVHKLLYWOOG-AZFXQPBMSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 88-1325
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.784 min
+MS$FOCUSED_ION: BASE_PEAK 657.3527
+MS$FOCUSED_ION: PRECURSOR_M/Z 1283.6882
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 62281408.36
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-001i-0090000000-7285ac036890adf4574f
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  1247.6672 C61H91N12O16+ 1 1247.6671 0.1
+  1248.6501 C61H90N11O17+ 1 1248.6511 -0.79
+  1265.6773 C61H93N12O17+ 1 1265.6776 -0.26
+  1266.6592 C61H92N11O18+ 1 1266.6616 -1.9
+  1283.6858 C61H95N12O18+ 1 1283.6882 -1.84
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  1247.6672 2843748.8 33
+  1248.6501 2805225.2 33
+  1265.6773 23949276 284
+  1266.6592 3800834 45
+  1283.6858 83972448 999
+//
diff --git a/Eawag/MSBNK-MLU-ED035502.txt b/Eawag/MSBNK-MLU-ED035502.txt
new file mode 100644
index 0000000000..d39a1c775b
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED035502.txt
@@ -0,0 +1,86 @@
+ACCESSION: MSBNK-MLU-ED035502
+RECORD_TITLE: Lyngbyazothrin B; LC-ESI-QFT; MS2; CE: 20%; R=17500; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], E. N. Zainuddin [dtc], S. Mundt [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 355
+CH$NAME: Lyngbyazothrin B
+CH$NAME: 3-[(3S,12S,19S,28S,31E,34S,37R,40S)-37-[(2S)-butan-2-yl]-31-ethylidene-15-hydroxy-28-[(1R)-1-hydroxyethyl]-34-(hydroxymethyl)-2,8,11,14,18,24,27,30,33,36,39-undecaoxo-25-(2-phenylethyl)-16-(2,4,5-trihydroxy-7-methyloctyl)-1,7,10,13,17,23,26,29,32,35,38-undecazatetracyclo[38.3.0.03,7.019,23]tritetracontan-12-yl]propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C61H94N12O18
+CH$EXACT_MASS: 1282.680904
+CH$SMILES: [H]C1=CC=C(CCC2NC([C@@H](NC(/C(NC([C@@H](NC([C@H](NC([C@@H]3CCCN3C([C@H]4N(C(CNC([C@@H](NC(C(O)C(CC(O[H])CC(O)C(O)CC(C)C)NC([C@@H]5CCCN5C2=O)=O)=O)CCC(N)=O)=O)=O)CCC4)=O)=O)[C@@H](C)CC)=O)CO)=O)=C\C)=O)[C@@H](C)O)=O)C=C1
+CH$IUPAC: InChI=1S/C61H94N12O18/c1-7-33(5)49-57(87)68-41(31-74)54(84)64-37(8-2)53(83)70-50(34(6)75)58(88)66-39(21-20-35-15-10-9-11-16-35)60(90)72-25-12-17-42(72)55(85)67-40(28-36(76)29-46(78)45(77)27-32(3)4)51(81)59(89)65-38(22-23-47(62)79)52(82)63-30-48(80)71-24-14-19-44(71)61(91)73-26-13-18-43(73)56(86)69-49/h8-11,15-16,32-34,36,38-46,49-51,74-78,81H,7,12-14,17-31H2,1-6H3,(H2,62,79)(H,63,82)(H,64,84)(H,65,89)(H,66,88)(H,67,85)(H,68,87)(H,69,86)(H,70,83)/b37-8+/t33-,34+,36?,38-,39?,40?,41-,42-,43-,44-,45?,46?,49+,50-,51?/m0/s1
+CH$LINK: PUBCHEM CID:44254416
+CH$LINK: INCHIKEY OCPKVHKLLYWOOG-AZFXQPBMSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 88-1325
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.784 min
+MS$FOCUSED_ION: BASE_PEAK 657.3527
+MS$FOCUSED_ION: PRECURSOR_M/Z 1283.6882
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 62281408.36
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00lr-0090000000-e180ed485d0cd6672225
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  367.2338 C18H31N4O4+ 9 367.234 -0.38
+  377.2181 C19H29N4O4+ 9 377.2183 -0.55
+  395.2287 C18H25N11+ 10 395.2289 -0.45
+  412.255 C4H40N6O15+ 10 412.2546 0.88
+  452.2502 C20H28N12O+ 13 452.2504 -0.25
+  478.266 C23H36N5O6+ 13 478.266 0.03
+  487.2762 C21H33N11O3+ 12 487.2762 -0.15
+  563.282 C40H37NO2+ 15 563.2819 0.16
+  740.3977 C37H54N7O9+ 19 740.3978 -0.06
+  833.4759 C53H57N10+ 22 833.4762 -0.39
+  871.4548 C55H55N10O+ 21 871.4555 -0.82
+  938.5185 C56H64N11O3+ 20 938.5188 -0.36
+  1113.6164 C51H87N9O18+ 8 1113.6164 0.01
+  1229.6551 C58H91N11O18+ 2 1229.6538 1.06
+  1230.6394 C61H88N11O16+ 1 1230.6405 -0.93
+  1237.6802 C60H93N12O16+ 1 1237.6827 -1.98
+  1247.6672 C61H91N12O16+ 1 1247.6671 0.1
+  1248.6498 C61H90N11O17+ 1 1248.6511 -0.98
+  1255.6934 C60H95N12O17+ 1 1255.6933 0.12
+  1265.677 C61H93N12O17+ 1 1265.6776 -0.45
+  1266.6563 C61H92N11O18+ 1 1266.6616 -4.21
+  1283.6864 C61H95N12O18+ 1 1283.6882 -1.36
+PK$NUM_PEAK: 22
+PK$PEAK: m/z int. rel.int.
+  367.2338 462165.4 14
+  377.2181 880787.2 27
+  395.2287 3160059.2 98
+  412.255 333290.1 10
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+  478.266 867937 27
+  487.2762 1749436.4 54
+  563.282 320302.7 10
+  740.3977 370153.3 11
+  833.4759 660903.8 20
+  871.4548 584021 18
+  938.5185 1956378.5 61
+  1113.6164 483308.6 15
+  1229.6551 857877.6 26
+  1230.6394 936140.5 29
+  1237.6802 774407.3 24
+  1247.6672 4588172 143
+  1248.6498 2329650.8 72
+  1255.6934 1315425.2 41
+  1265.677 17529960 548
+  1266.6563 1724559.5 53
+  1283.6864 31905146 999
+//
diff --git a/Eawag/MSBNK-MLU-ED035503.txt b/Eawag/MSBNK-MLU-ED035503.txt
new file mode 100644
index 0000000000..786bbdd5de
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED035503.txt
@@ -0,0 +1,188 @@
+ACCESSION: MSBNK-MLU-ED035503
+RECORD_TITLE: Lyngbyazothrin B; LC-ESI-QFT; MS2; CE: 25%; R=17500; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], E. N. Zainuddin [dtc], S. Mundt [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 355
+CH$NAME: Lyngbyazothrin B
+CH$NAME: 3-[(3S,12S,19S,28S,31E,34S,37R,40S)-37-[(2S)-butan-2-yl]-31-ethylidene-15-hydroxy-28-[(1R)-1-hydroxyethyl]-34-(hydroxymethyl)-2,8,11,14,18,24,27,30,33,36,39-undecaoxo-25-(2-phenylethyl)-16-(2,4,5-trihydroxy-7-methyloctyl)-1,7,10,13,17,23,26,29,32,35,38-undecazatetracyclo[38.3.0.03,7.019,23]tritetracontan-12-yl]propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C61H94N12O18
+CH$EXACT_MASS: 1282.680904
+CH$SMILES: [H]C1=CC=C(CCC2NC([C@@H](NC(/C(NC([C@@H](NC([C@H](NC([C@@H]3CCCN3C([C@H]4N(C(CNC([C@@H](NC(C(O)C(CC(O[H])CC(O)C(O)CC(C)C)NC([C@@H]5CCCN5C2=O)=O)=O)CCC(N)=O)=O)=O)CCC4)=O)=O)[C@@H](C)CC)=O)CO)=O)=C\C)=O)[C@@H](C)O)=O)C=C1
+CH$IUPAC: InChI=1S/C61H94N12O18/c1-7-33(5)49-57(87)68-41(31-74)54(84)64-37(8-2)53(83)70-50(34(6)75)58(88)66-39(21-20-35-15-10-9-11-16-35)60(90)72-25-12-17-42(72)55(85)67-40(28-36(76)29-46(78)45(77)27-32(3)4)51(81)59(89)65-38(22-23-47(62)79)52(82)63-30-48(80)71-24-14-19-44(71)61(91)73-26-13-18-43(73)56(86)69-49/h8-11,15-16,32-34,36,38-46,49-51,74-78,81H,7,12-14,17-31H2,1-6H3,(H2,62,79)(H,63,82)(H,64,84)(H,65,89)(H,66,88)(H,67,85)(H,68,87)(H,69,86)(H,70,83)/b37-8+/t33-,34+,36?,38-,39?,40?,41-,42-,43-,44-,45?,46?,49+,50-,51?/m0/s1
+CH$LINK: PUBCHEM CID:44254416
+CH$LINK: INCHIKEY OCPKVHKLLYWOOG-AZFXQPBMSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 88-1325
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.784 min
+MS$FOCUSED_ION: BASE_PEAK 657.3527
+MS$FOCUSED_ION: PRECURSOR_M/Z 1283.6882
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 62281408.36
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00lb-1196400002-a0de6d2564cf393677dd
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  115.0865 C5H11N2O+ 1 115.0866 -0.64
+  127.0865 C6H11N2O+ 1 127.0866 -0.85
+  134.0961 C9H12N+ 1 134.0964 -2.56
+  155.0813 C7H11N2O2+ 1 155.0815 -1.38
+  167.1176 C9H15N2O+ 1 167.1179 -1.75
+  183.149 C10H19N2O+ 1 183.1492 -1.24
+  186.1269 C13H16N+ 1 186.1277 -4.32
+  195.1128 C10H15N2O2+ 1 195.1128 -0.25
+  211.1448 C11H19N2O2+ 1 211.1441 3.47
+  212.1393 C10H18N3O2+ 1 212.1394 -0.39
+  231.1481 C14H19N2O+ 2 231.1492 -4.91
+  235.1433 C13H19N2O2+ 2 235.1441 -3.45
+  252.1343 C12H18N3O3+ 1 252.1343 0.2
+  259.1431 C15H19N2O2+ 3 259.1441 -3.75
+  263.1391 C14H19N2O3+ 3 263.139 0.49
+  266.1134 C12H16N3O4+ 2 266.1135 -0.5
+  270.1805 C13H24N3O3+ 3 270.1812 -2.58
+  272.1231 C10H12N10+ 3 272.1241 -3.78
+  295.2019 C16H27N2O3+ 5 295.2016 0.81
+  298.1763 C14H24N3O4+ 6 298.1761 0.43
+  308.1969 C16H26N3O3+ 7 308.1969 0.03
+  311.1377 C16H17N5O2+ 7 311.1377 0.11
+  313.2122 C16H29N2O4+ 7 313.2122 -0.02
+  321.1556 H27N5O14+ 8 321.1549 2.31
+  325.2236 C16H29N4O3+ 9 325.2234 0.7
+  328.1653 C3H28N4O13+ 7 328.1647 1.81
+  329.1495 C18H21N2O4+ 7 329.1496 -0.36
+  335.1709 CH29N5O14+ 8 335.1706 0.95
+  337.2229 C2H35N5O13+ 9 337.2226 0.85
+  340.223 C17H30N3O4+ 8 340.2231 -0.15
+  341.2069 C16H23N9+ 8 341.2071 -0.6
+  346.1752 C2H24N11O9+ 8 346.1753 -0.32
+  358.2335 C16H26N10+ 9 358.2336 -0.37
+  359.2174 C16H25N9O+ 9 359.2177 -0.73
+  360.1905 C17H24N6O3+ 8 360.1904 0.11
+  363.2036 C5H35N2O15+ 9 363.2032 1.04
+  365.2187 C4H31N9O10+ 10 365.2188 -0.45
+  367.2339 C18H31N4O4+ 9 367.234 -0.29
+  377.2182 C19H29N4O4+ 9 377.2183 -0.31
+  394.1966 C4H34N4O16+ 10 394.1964 0.52
+  395.2287 C18H25N11+ 10 395.2289 -0.38
+  412.2548 C4H40N6O15+ 11 412.2546 0.51
+  439.2187 C19H25N11O2+ 13 439.2187 -0.15
+  452.2503 C20H28N12O+ 13 452.2504 -0.18
+  457.2297 C6H35N9O14+ 11 457.2298 -0.27
+  460.2553 C22H28N12+ 12 460.2554 -0.28
+  465.2822 C22H37N6O5+ 10 465.282 0.44
+  476.25 C37H32+ 15 476.2499 0.32
+  478.2661 C23H36N5O6+ 13 478.266 0.29
+  487.276 C21H33N11O3+ 14 487.2762 -0.53
+  509.2603 C23H31N11O3+ 14 509.2606 -0.5
+  544.2971 C38H40O3+ 14 544.2972 -0.18
+  561.3039 C14H49N4O18+ 15 561.3036 0.43
+  563.2818 C40H37NO2+ 15 563.2819 -0.06
+  605.3312 C31H47N3O9+ 15 605.3307 0.92
+  823.487 C60H61N3+ 21 823.486 1.22
+  851.4872 C40H67N8O12+ 20 851.4873 -0.06
+  871.4547 C55H55N10O+ 21 871.4555 -0.89
+  902.4976 C56H60N11O+ 19 902.4977 -0.08
+  920.508 C56H62N11O2+ 20 920.5082 -0.22
+  938.5185 C56H64N11O3+ 20 938.5188 -0.29
+  955.5476 C40H77N9O17+ 18 955.5432 4.6
+  1003.5455 C61H73N5O8+ 17 1003.5454 0.13
+  1104.592 C51H82N11O16+ 9 1104.5936 -1.44
+  1113.6167 C51H87N9O18+ 8 1113.6164 0.34
+  1229.6546 C58H91N11O18+ 2 1229.6538 0.66
+  1230.6366 C61H88N11O16+ 1 1230.6405 -3.21
+  1237.682 C60H93N12O16+ 1 1237.6827 -0.6
+  1247.6662 C61H91N12O16+ 1 1247.6671 -0.68
+  1248.6461 C61H90N11O17+ 1 1248.6511 -4.01
+  1255.6926 C60H95N12O17+ 1 1255.6933 -0.56
+  1265.6768 C61H93N12O17+ 1 1265.6776 -0.64
+  1283.6868 C61H95N12O18+ 1 1283.6882 -1.08
+PK$NUM_PEAK: 73
+PK$PEAK: m/z int. rel.int.
+  115.0865 580221.1 103
+  127.0865 245022.6 43
+  134.0961 212515.4 37
+  155.0813 439551.9 78
+  167.1176 135088.3 24
+  183.149 170611.8 30
+  186.1269 70858.3 12
+  195.1128 103808.4 18
+  211.1448 130642.5 23
+  212.1393 145133.5 25
+  231.1481 61029.4 10
+  235.1433 120922.9 21
+  252.1343 364606.2 64
+  259.1431 77661.2 13
+  263.1391 305128.6 54
+  266.1134 215668 38
+  270.1805 63097.8 11
+  272.1231 162323.9 28
+  295.2019 252655.2 45
+  298.1763 371832.9 66
+  308.1969 1099328.2 195
+  311.1377 104718.7 18
+  313.2122 1758961.6 313
+  321.1556 79730.2 14
+  325.2236 311529.7 55
+  328.1653 197564.8 35
+  329.1495 125310.7 22
+  335.1709 87515.2 15
+  337.2229 440589.5 78
+  340.223 94214.9 16
+  341.2069 248320.4 44
+  346.1752 136292.3 24
+  358.2335 640866.6 114
+  359.2174 763164.6 135
+  360.1905 109568.9 19
+  363.2036 138707 24
+  365.2187 831842.5 148
+  367.2339 827916.2 147
+  377.2182 1522663.5 271
+  394.1966 121535.1 21
+  395.2287 4354431 775
+  412.2548 302763 53
+  439.2187 84031.1 14
+  452.2503 1159773 206
+  457.2297 128150.1 22
+  460.2553 1035216.4 184
+  465.2822 56589.3 10
+  476.25 468921.6 83
+  478.2661 3136922.8 558
+  487.276 4349393.5 775
+  509.2603 292918.6 52
+  544.2971 839367.7 149
+  561.3039 540081 96
+  563.2818 484846.8 86
+  605.3312 143902.7 25
+  823.487 571847.9 101
+  851.4872 1050151.6 187
+  871.4547 406578.7 72
+  902.4976 947758.8 168
+  920.508 2380553.5 424
+  938.5185 1414431.4 252
+  955.5476 232315.1 41
+  1003.5455 3078857.5 548
+  1104.592 833962.9 148
+  1113.6167 283686.8 50
+  1229.6546 538799.7 96
+  1230.6366 391520.2 69
+  1237.682 1284513.5 228
+  1247.6662 2206612.5 393
+  1248.6461 685269.2 122
+  1255.6926 1949832.6 347
+  1265.6768 5398969.5 962
+  1283.6868 5606248 999
+//
diff --git a/Eawag/MSBNK-MLU-ED035504.txt b/Eawag/MSBNK-MLU-ED035504.txt
new file mode 100644
index 0000000000..c85302930d
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED035504.txt
@@ -0,0 +1,300 @@
+ACCESSION: MSBNK-MLU-ED035504
+RECORD_TITLE: Lyngbyazothrin B; LC-ESI-QFT; MS2; CE: 30%; R=17500; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], E. N. Zainuddin [dtc], S. Mundt [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 355
+CH$NAME: Lyngbyazothrin B
+CH$NAME: 3-[(3S,12S,19S,28S,31E,34S,37R,40S)-37-[(2S)-butan-2-yl]-31-ethylidene-15-hydroxy-28-[(1R)-1-hydroxyethyl]-34-(hydroxymethyl)-2,8,11,14,18,24,27,30,33,36,39-undecaoxo-25-(2-phenylethyl)-16-(2,4,5-trihydroxy-7-methyloctyl)-1,7,10,13,17,23,26,29,32,35,38-undecazatetracyclo[38.3.0.03,7.019,23]tritetracontan-12-yl]propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C61H94N12O18
+CH$EXACT_MASS: 1282.680904
+CH$SMILES: [H]C1=CC=C(CCC2NC([C@@H](NC(/C(NC([C@@H](NC([C@H](NC([C@@H]3CCCN3C([C@H]4N(C(CNC([C@@H](NC(C(O)C(CC(O[H])CC(O)C(O)CC(C)C)NC([C@@H]5CCCN5C2=O)=O)=O)CCC(N)=O)=O)=O)CCC4)=O)=O)[C@@H](C)CC)=O)CO)=O)=C\C)=O)[C@@H](C)O)=O)C=C1
+CH$IUPAC: InChI=1S/C61H94N12O18/c1-7-33(5)49-57(87)68-41(31-74)54(84)64-37(8-2)53(83)70-50(34(6)75)58(88)66-39(21-20-35-15-10-9-11-16-35)60(90)72-25-12-17-42(72)55(85)67-40(28-36(76)29-46(78)45(77)27-32(3)4)51(81)59(89)65-38(22-23-47(62)79)52(82)63-30-48(80)71-24-14-19-44(71)61(91)73-26-13-18-43(73)56(86)69-49/h8-11,15-16,32-34,36,38-46,49-51,74-78,81H,7,12-14,17-31H2,1-6H3,(H2,62,79)(H,63,82)(H,64,84)(H,65,89)(H,66,88)(H,67,85)(H,68,87)(H,69,86)(H,70,83)/b37-8+/t33-,34+,36?,38-,39?,40?,41-,42-,43-,44-,45?,46?,49+,50-,51?/m0/s1
+CH$LINK: PUBCHEM CID:44254416
+CH$LINK: INCHIKEY OCPKVHKLLYWOOG-AZFXQPBMSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 88-1325
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.784 min
+MS$FOCUSED_ION: BASE_PEAK 657.3527
+MS$FOCUSED_ION: PRECURSOR_M/Z 1283.6882
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 62281408.36
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-092a-0559500000-945e82cf3e088328195e
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  98.0599 C5H8NO+ 1 98.06 -1.09
+  99.08 C6H11O+ 1 99.0804 -3.98
+  101.0705 C4H9N2O+ 1 101.0709 -4.16
+  112.0754 C6H10NO+ 1 112.0757 -2.53
+  115.0866 C5H11N2O+ 1 115.0866 -0.31
+  116.0706 C5H10NO2+ 1 116.0706 -0.08
+  117.0698 C9H9+ 1 117.0699 -0.94
+  126.0549 C6H8NO2+ 1 126.055 -0.54
+  126.0912 C7H12NO+ 1 126.0913 -0.72
+  127.0865 C6H11N2O+ 1 127.0866 -0.73
+  129.0654 C5H9N2O2+ 1 129.0659 -3.28
+  134.0963 C9H12N+ 1 134.0964 -0.85
+  138.1276 C9H16N+ 1 138.1277 -1.22
+  139.0859 C7H11N2O+ 1 139.0866 -4.63
+  143.1067 C8H15O2+ 1 143.1067 0.35
+  150.1271 C10H16N+ 1 150.1277 -4.42
+  153.1019 C8H13N2O+ 1 153.1022 -2.15
+  155.0813 C7H11N2O2+ 1 155.0815 -1.29
+  157.0971 C7H13N2O2+ 1 157.0972 -0.6
+  163.1117 C11H15O+ 1 163.1117 -0.51
+  167.0813 C8H11N2O2+ 1 167.0815 -0.97
+  167.1178 C9H15N2O+ 1 167.1179 -0.83
+  168.1382 C10H18NO+ 1 168.1383 -0.71
+  169.1219 C10H17O2+ 1 169.1223 -2.53
+  171.0759 C7H11N2O3+ 2 171.0764 -2.87
+  171.1129 C8H15N2O2+ 1 171.1128 0.47
+  172.108 C7H14N3O2+ 1 172.1081 -0.36
+  180.138 C11H18NO+ 1 180.1383 -1.45
+  181.0971 C9H13N2O2+ 1 181.0972 -0.34
+  183.0762 C8H11N2O3+ 1 183.0764 -1.15
+  183.1491 C10H19N2O+ 1 183.1492 -0.41
+  185.0921 C8H13N2O3+ 1 185.0921 0.07
+  186.0872 C7H12N3O3+ 1 186.0873 -0.78
+  186.1274 C13H16N+ 1 186.1277 -1.7
+  186.1484 C10H20NO2+ 2 186.1489 -2.5
+  187.0707 C7H11N2O4+ 2 187.0713 -3.17
+  190.1225 C12H16NO+ 1 190.1226 -0.62
+  191.1055 C10H13N3O+ 1 191.1053 1.04
+  195.1126 C10H15N2O2+ 1 195.1128 -0.88
+  198.1489 C11H20NO2+ 1 198.1489 0.37
+  201.1234 C9H17N2O3+ 1 201.1234 0.2
+  208.1332 C12H18NO2+ 1 208.1332 -0.11
+  211.1442 C11H19N2O2+ 1 211.1441 0.51
+  212.1393 C10H18N3O2+ 1 212.1394 -0.1
+  216.1593 C11H22NO3+ 1 216.1594 -0.46
+  217.1335 C13H17N2O+ 2 217.1335 -0.08
+  223.1443 C12H19N2O2+ 1 223.1441 1.09
+  224.1389 C11H18N3O2+ 2 224.1394 -1.94
+  226.1435 C12H20NO3+ 2 226.1438 -1.38
+  231.1491 C14H19N2O+ 3 231.1492 -0.36
+  235.1441 C13H19N2O2+ 2 235.1441 0.18
+  238.1192 C11H16N3O3+ 2 238.1186 2.29
+  243.1489 H25N3O11+ 5 243.1484 2.31
+  244.1542 C12H22NO4+ 2 244.1543 -0.66
+  245.1281 C14H17N2O2+ 4 245.1285 -1.26
+  249.196 C15H25N2O+ 5 249.1961 -0.74
+  250.1187 C12H16N3O3+ 1 250.1186 0.34
+  252.1342 C12H18N3O3+ 2 252.1343 -0.46
+  254.1137 C11H16N3O4+ 3 254.1135 0.7
+  259.144 C15H19N2O2+ 5 259.1441 -0.46
+  261.1805 C12H25N2O4+ 2 261.1809 -1.62
+  262.1654 C12H24NO5+ 3 262.1649 1.98
+  263.139 C14H19N2O3+ 3 263.139 0.02
+  264.134 C13H18N3O3+ 3 264.1343 -1.16
+  266.1137 C12H16N3O4+ 3 266.1135 0.53
+  266.1487 C11H18N6O2+ 2 266.1486 0.62
+  268.1292 C13H14N7+ 2 268.1305 -4.98
+  268.1652 C13H22N3O3+ 3 268.1656 -1.5
+  269.1603 C12H21N4O3+ 3 269.1608 -1.86
+  270.1813 C13H24N3O3+ 3 270.1812 0.24
+  271.1661 H31O15+ 5 271.1657 1.38
+  277.1913 C16H25N2O2+ 5 277.1911 1.05
+  280.2019 C15H26N3O2+ 6 280.202 -0.03
+  283.1403 C12H19N4O4+ 3 283.1401 0.69
+  284.1247 C12H18N3O5+ 5 284.1241 2.07
+  295.2018 C16H27N2O3+ 5 295.2016 0.5
+  298.1763 C14H24N3O4+ 6 298.1761 0.43
+  308.1969 C16H26N3O3+ 7 308.1969 0.13
+  313.2122 C16H29N2O4+ 7 313.2122 -0.02
+  319.1656 C3H25N7O10+ 8 319.1657 -0.29
+  321.1557 H27N5O14+ 8 321.1549 2.5
+  325.2232 C16H29N4O3+ 8 325.2234 -0.71
+  328.1654 C3H28N4O13+ 7 328.1647 1.9
+  329.1496 C18H21N2O4+ 7 329.1496 0.2
+  335.171 CH29N5O14+ 7 335.1706 1.22
+  337.2228 C2H35N5O13+ 9 337.2226 0.67
+  340.2232 C17H30N3O4+ 10 340.2231 0.48
+  341.2071 C16H23N9+ 8 341.2071 -0.06
+  344.2178 C15H24N10+ 9 344.218 -0.51
+  359.2173 C16H25N9O+ 9 359.2177 -0.98
+  360.1902 C17H24N6O3+ 8 360.1904 -0.57
+  363.2034 C5H35N2O15+ 8 363.2032 0.7
+  365.2186 C4H31N9O10+ 10 365.2188 -0.61
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+  395.2289 C18H25N11+ 11 395.2289 -0.07
+  397.2448 C5H35N9O11+ 11 397.2451 -0.58
+  400.2056 C30H26N+ 9 400.206 -1
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+  465.2819 C22H37N6O5+ 11 465.282 -0.29
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+  720.3908 C46H50N5O3+ 19 720.3908 -0.09
+  740.3976 C37H54N7O9+ 19 740.3978 -0.22
+  823.4898 C60H61N3+ 23 823.486 4.56
+  833.4759 C53H57N10+ 22 833.4762 -0.39
+  851.4872 C40H67N8O12+ 20 851.4873 -0.06
+  902.4973 C56H60N11O+ 20 902.4977 -0.42
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+  1104.5932 C51H82N11O16+ 10 1104.5936 -0.34
+  1237.6802 C60H93N12O16+ 1 1237.6827 -1.98
+  1255.696 C60H95N12O17+ 1 1255.6933 2.16
+  1265.6751 C61H93N12O17+ 1 1265.6776 -1.99
+PK$NUM_PEAK: 129
+PK$PEAK: m/z int. rel.int.
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+  1265.6751 314959.7 65
+//
diff --git a/Eawag/MSBNK-MLU-ED035505.txt b/Eawag/MSBNK-MLU-ED035505.txt
new file mode 100644
index 0000000000..f750846578
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED035505.txt
@@ -0,0 +1,386 @@
+ACCESSION: MSBNK-MLU-ED035505
+RECORD_TITLE: Lyngbyazothrin B; LC-ESI-QFT; MS2; CE: 40%; R=17500; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], E. N. Zainuddin [dtc], S. Mundt [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 355
+CH$NAME: Lyngbyazothrin B
+CH$NAME: 3-[(3S,12S,19S,28S,31E,34S,37R,40S)-37-[(2S)-butan-2-yl]-31-ethylidene-15-hydroxy-28-[(1R)-1-hydroxyethyl]-34-(hydroxymethyl)-2,8,11,14,18,24,27,30,33,36,39-undecaoxo-25-(2-phenylethyl)-16-(2,4,5-trihydroxy-7-methyloctyl)-1,7,10,13,17,23,26,29,32,35,38-undecazatetracyclo[38.3.0.03,7.019,23]tritetracontan-12-yl]propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C61H94N12O18
+CH$EXACT_MASS: 1282.680904
+CH$SMILES: [H]C1=CC=C(CCC2NC([C@@H](NC(/C(NC([C@@H](NC([C@H](NC([C@@H]3CCCN3C([C@H]4N(C(CNC([C@@H](NC(C(O)C(CC(O[H])CC(O)C(O)CC(C)C)NC([C@@H]5CCCN5C2=O)=O)=O)CCC(N)=O)=O)=O)CCC4)=O)=O)[C@@H](C)CC)=O)CO)=O)=C\C)=O)[C@@H](C)O)=O)C=C1
+CH$IUPAC: InChI=1S/C61H94N12O18/c1-7-33(5)49-57(87)68-41(31-74)54(84)64-37(8-2)53(83)70-50(34(6)75)58(88)66-39(21-20-35-15-10-9-11-16-35)60(90)72-25-12-17-42(72)55(85)67-40(28-36(76)29-46(78)45(77)27-32(3)4)51(81)59(89)65-38(22-23-47(62)79)52(82)63-30-48(80)71-24-14-19-44(71)61(91)73-26-13-18-43(73)56(86)69-49/h8-11,15-16,32-34,36,38-46,49-51,74-78,81H,7,12-14,17-31H2,1-6H3,(H2,62,79)(H,63,82)(H,64,84)(H,65,89)(H,66,88)(H,67,85)(H,68,87)(H,69,86)(H,70,83)/b37-8+/t33-,34+,36?,38-,39?,40?,41-,42-,43-,44-,45?,46?,49+,50-,51?/m0/s1
+CH$LINK: PUBCHEM CID:44254416
+CH$LINK: INCHIKEY OCPKVHKLLYWOOG-AZFXQPBMSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 88-1325
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.784 min
+MS$FOCUSED_ION: BASE_PEAK 657.3527
+MS$FOCUSED_ION: PRECURSOR_M/Z 1283.6882
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 62281408.36
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-090r-0952000000-59df1247d0220f318a6e
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
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+  95.0492 C6H7O+ 1 95.0491 0.49
+  96.0808 C6H10N+ 1 96.0808 -0.13
+  98.06 C5H8NO+ 1 98.06 -0.39
+  98.0965 C6H12N+ 1 98.0964 0.46
+  99.0804 C6H11O+ 1 99.0804 -0.52
+  101.0709 C4H9N2O+ 1 101.0709 -0.16
+  103.0503 C3H7N2O2+ 1 103.0502 0.88
+  107.0493 C7H7O+ 1 107.0491 1.55
+  107.0855 C8H11+ 1 107.0855 -0.53
+  110.0597 C6H8NO+ 1 110.06 -3.42
+  112.0391 C5H6NO2+ 1 112.0393 -1.64
+  112.0756 C6H10NO+ 1 112.0757 -1.17
+  113.071 C5H9N2O+ 1 113.0709 0.4
+  115.0866 C5H11N2O+ 1 115.0866 -0.31
+  116.0706 C5H10NO2+ 1 116.0706 -0.41
+  117.0698 C9H9+ 1 117.0699 -0.35
+  121.1011 C9H13+ 1 121.1012 -0.62
+  123.1169 C9H15+ 1 123.1168 0.45
+  124.0756 C7H10NO+ 1 124.0757 -0.67
+  125.0708 C6H9N2O+ 1 125.0709 -1.1
+  125.0961 C8H13O+ 1 125.0961 -0.05
+  126.0549 C6H8NO2+ 1 126.055 -0.11
+  126.0912 C7H12NO+ 1 126.0913 -0.84
+  127.0865 C6H11N2O+ 1 127.0866 -0.61
+  128.0705 C6H10NO2+ 1 128.0706 -0.54
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+  130.0498 C5H8NO3+ 1 130.0499 -0.23
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+  143.1066 C8H15O2+ 1 143.1067 -0.72
+  145.1012 C11H13+ 1 145.1012 0.44
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+  151.1115 C10H15O+ 1 151.1117 -1.58
+  151.1231 C9H15N2+ 1 151.123 0.62
+  153.0657 C7H9N2O2+ 1 153.0659 -1
+  153.1022 C8H13N2O+ 1 153.1022 -0.45
+  155.0813 C7H11N2O2+ 1 155.0815 -1.19
+  157.0971 C7H13N2O2+ 1 157.0972 -0.6
+  157.1222 C9H17O2+ 1 157.1223 -0.93
+  159.0766 C6H11N2O3+ 1 159.0764 1.08
+  160.1121 C11H14N+ 1 160.1121 -0.12
+  163.1116 C11H15O+ 1 163.1117 -0.61
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+  195.149 C11H19N2O+ 1 195.1492 -1
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+  197.0558 C8H9N2O4+ 1 197.0557 0.75
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+  234.0877 C11H12N3O3+ 2 234.0873 1.51
+  235.1441 C13H19N2O2+ 2 235.1441 -0.01
+  238.119 C11H16N3O3+ 2 238.1186 1.4
+  239.1383 C12H19N2O3+ 2 239.139 -2.93
+  243.149 H25N3O11+ 5 243.1484 2.43
+  243.1708 C12H23N2O3+ 1 243.1703 2.11
+  244.0926 C8H8N10+ 3 244.0928 -0.71
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+  248.1035 C12H14N3O3+ 2 248.103 2.14
+  249.196 C15H25N2O+ 4 249.1961 -0.38
+  250.1182 C12H16N3O3+ 2 250.1186 -1.74
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+  253.1549 C13H21N2O3+ 2 253.1547 1
+  254.1139 C11H16N3O4+ 3 254.1135 1.36
+  259.1446 C15H19N2O2+ 3 259.1441 1.9
+  261.181 C12H25N2O4+ 2 261.1809 0.37
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+  300.1704 C2H28N4O12+ 6 300.1698 1.83
+  308.1968 C16H26N3O3+ 7 308.1969 -0.26
+  313.2121 C16H29N2O4+ 7 313.2122 -0.12
+  324.119 C12H16N6O5+ 7 324.1177 4.01
+  336.1926 C4H34NO15+ 8 336.1923 0.99
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+  377.1716 C22H23N3O3+ 10 377.1734 -4.71
+  381.2132 C17H23N11+ 11 381.2132 0
+  395.2288 C18H25N11+ 11 395.2289 -0.3
+  397.245 C5H35N9O11+ 11 397.2451 -0.2
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+  451.2552 C22H35N4O6+ 12 451.2551 0.17
+  460.2551 C22H28N12+ 12 460.2554 -0.81
+  469.2658 C22H37N4O7+ 13 469.2657 0.22
+  478.2661 C23H36N5O6+ 13 478.266 0.29
+  491.2495 C23H29N11O2+ 15 491.25 -1.02
+PK$NUM_PEAK: 172
+PK$PEAK: m/z int. rel.int.
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+//
diff --git a/Eawag/MSBNK-MLU-ED035506.txt b/Eawag/MSBNK-MLU-ED035506.txt
new file mode 100644
index 0000000000..d6b5714444
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED035506.txt
@@ -0,0 +1,402 @@
+ACCESSION: MSBNK-MLU-ED035506
+RECORD_TITLE: Lyngbyazothrin B; LC-ESI-QFT; MS2; CE: 50%; R=17500; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], E. N. Zainuddin [dtc], S. Mundt [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 355
+CH$NAME: Lyngbyazothrin B
+CH$NAME: 3-[(3S,12S,19S,28S,31E,34S,37R,40S)-37-[(2S)-butan-2-yl]-31-ethylidene-15-hydroxy-28-[(1R)-1-hydroxyethyl]-34-(hydroxymethyl)-2,8,11,14,18,24,27,30,33,36,39-undecaoxo-25-(2-phenylethyl)-16-(2,4,5-trihydroxy-7-methyloctyl)-1,7,10,13,17,23,26,29,32,35,38-undecazatetracyclo[38.3.0.03,7.019,23]tritetracontan-12-yl]propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C61H94N12O18
+CH$EXACT_MASS: 1282.680904
+CH$SMILES: [H]C1=CC=C(CCC2NC([C@@H](NC(/C(NC([C@@H](NC([C@H](NC([C@@H]3CCCN3C([C@H]4N(C(CNC([C@@H](NC(C(O)C(CC(O[H])CC(O)C(O)CC(C)C)NC([C@@H]5CCCN5C2=O)=O)=O)CCC(N)=O)=O)=O)CCC4)=O)=O)[C@@H](C)CC)=O)CO)=O)=C\C)=O)[C@@H](C)O)=O)C=C1
+CH$IUPAC: InChI=1S/C61H94N12O18/c1-7-33(5)49-57(87)68-41(31-74)54(84)64-37(8-2)53(83)70-50(34(6)75)58(88)66-39(21-20-35-15-10-9-11-16-35)60(90)72-25-12-17-42(72)55(85)67-40(28-36(76)29-46(78)45(77)27-32(3)4)51(81)59(89)65-38(22-23-47(62)79)52(82)63-30-48(80)71-24-14-19-44(71)61(91)73-26-13-18-43(73)56(86)69-49/h8-11,15-16,32-34,36,38-46,49-51,74-78,81H,7,12-14,17-31H2,1-6H3,(H2,62,79)(H,63,82)(H,64,84)(H,65,89)(H,66,88)(H,67,85)(H,68,87)(H,69,86)(H,70,83)/b37-8+/t33-,34+,36?,38-,39?,40?,41-,42-,43-,44-,45?,46?,49+,50-,51?/m0/s1
+CH$LINK: PUBCHEM CID:44254416
+CH$LINK: INCHIKEY OCPKVHKLLYWOOG-AZFXQPBMSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 88-1325
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.784 min
+MS$FOCUSED_ION: BASE_PEAK 657.3527
+MS$FOCUSED_ION: PRECURSOR_M/Z 1283.6882
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 62281408.36
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-003r-0920000000-864439063993baa33268
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
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+  93.0699 C7H9+ 1 93.0699 -0.01
+  94.0652 C6H8N+ 1 94.0651 0.99
+  95.0492 C6H7O+ 1 95.0491 0.17
+  95.0855 C7H11+ 1 95.0855 -0.48
+  96.0442 C5H6NO+ 1 96.0444 -2.27
+  96.0806 C6H10N+ 1 96.0808 -1.64
+  97.0761 C5H9N2+ 1 97.076 0.37
+  97.1012 C7H13+ 1 97.1012 -0.08
+  98.06 C5H8NO+ 1 98.06 -0.31
+  98.0963 C6H12N+ 1 98.0964 -1.09
+  99.0804 C6H11O+ 1 99.0804 -0.36
+  100.0392 C4H6NO2+ 1 100.0393 -0.76
+  100.0756 C5H10NO+ 1 100.0757 -0.61
+  101.0709 C4H9N2O+ 1 101.0709 -0.77
+  103.05 C3H7N2O2+ 1 103.0502 -1.71
+  104.0341 C3H6NO3+ 1 104.0342 -1.09
+  105.0699 C8H9+ 1 105.0699 0.63
+  107.049 C7H7O+ 1 107.0491 -1.02
+  107.0855 C8H11+ 1 107.0855 -0.53
+  109.0761 C6H9N2+ 1 109.076 0.58
+  110.06 C6H8NO+ 1 110.06 -0.3
+  111.0915 C6H11N2+ 1 111.0917 -1.2
+  112.0393 C5H6NO2+ 1 112.0393 -0.41
+  112.0756 C6H10NO+ 1 112.0757 -0.42
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+  117.0699 C9H9+ 1 117.0699 0.49
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+  133.1011 C10H13+ 1 133.1012 -0.22
+  134.0963 C9H12N+ 1 134.0964 -0.74
+  135.1167 C10H15+ 1 135.1168 -1.08
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+  138.0548 C7H8NO2+ 1 138.055 -0.76
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+  139.05 C6H7N2O2+ 1 139.0502 -1.82
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+  139.1115 C9H15O+ 1 139.1117 -1.81
+  140.0705 C7H10NO2+ 1 140.0706 -0.84
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+  143.1066 C8H15O2+ 1 143.1067 -0.72
+  145.1011 C11H13+ 1 145.1012 -0.51
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+  147.1168 C11H15+ 1 147.1168 -0.46
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+  151.0868 C8H11N2O+ 1 151.0866 1.08
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+  151.123 C9H15N2+ 1 151.123 0.01
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+  153.1021 C8H13N2O+ 1 153.1022 -1.15
+  155.0459 C6H7N2O3+ 1 155.0451 4.87
+  155.0813 C7H11N2O2+ 1 155.0815 -1.19
+  157.0969 C7H13N2O2+ 1 157.0972 -1.38
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+  163.1116 C11H15O+ 1 163.1117 -0.89
+  165.0656 C8H9N2O2+ 1 165.0659 -1.72
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+  168.0767 C7H10N3O2+ 1 168.0768 -0.27
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+  169.0606 C7H9N2O3+ 1 169.0608 -0.91
+  169.0976 C8H13N2O2+ 1 169.0972 2.83
+  169.122 C10H17O2+ 1 169.1223 -1.98
+  170.0445 C7H8NO4+ 1 170.0448 -1.73
+  171.0763 C7H11N2O3+ 1 171.0764 -0.73
+  171.1127 C8H15N2O2+ 1 171.1128 -0.69
+  173.1278 C8H17N2O2+ 2 173.1285 -3.96
+  177.1022 C10H13N2O+ 1 177.1022 -0.17
+  179.0449 C8H7N2O3+ 1 179.0451 -1.46
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+  183.0764 C8H11N2O3+ 1 183.0764 0.1
+  183.1492 C10H19N2O+ 1 183.1492 -0.16
+  184.1085 C8H14N3O2+ 2 184.1081 2.42
+  185.092 C8H13N2O3+ 1 185.0921 -0.42
+  186.1278 C13H16N+ 1 186.1277 0.27
+  186.1486 C10H20NO2+ 1 186.1489 -1.1
+  187.0712 C7H11N2O4+ 1 187.0713 -0.96
+  188.1034 C7H14N3O3+ 1 188.103 2.05
+  190.1224 C12H16NO+ 1 190.1226 -1.1
+  191.0451 C9H7N2O3+ 1 191.0451 0.16
+  191.0811 C10H11N2O2+ 1 191.0815 -1.96
+  191.1053 C10H13N3O+ 1 191.1053 0
+  193.0608 C9H9N2O3+ 1 193.0608 0.37
+  193.0973 C10H13N2O2+ 1 193.0972 0.72
+  195.0765 C9H11N2O3+ 1 195.0764 0.5
+  195.1128 C10H15N2O2+ 1 195.1128 -0.17
+  195.1493 C11H19N2O+ 1 195.1492 0.41
+  196.0717 C8H10N3O3+ 1 196.0717 0.31
+  197.0557 C8H9N2O4+ 1 197.0557 0.13
+  197.092 C9H13N2O3+ 1 197.0921 -0.22
+  197.1282 C10H17N2O2+ 1 197.1285 -1.35
+  198.1486 C11H20NO2+ 1 198.1489 -1.25
+  199.1072 C9H15N2O3+ 2 199.1077 -2.69
+  201.1233 C9H17N2O3+ 1 201.1234 -0.56
+  202.1592 C14H20N+ 2 202.159 1.06
+  206.0925 C10H12N3O2+ 1 206.0924 0.38
+  208.0713 C9H10N3O3+ 2 208.0717 -1.8
+  208.1331 C12H18NO2+ 1 208.1332 -0.55
+  209.0921 C10H13N2O3+ 1 209.0921 0.2
+  211.144 C11H19N2O2+ 1 211.1441 -0.43
+  212.1396 C10H18N3O2+ 1 212.1394 1.05
+  213.1233 C10H17N2O3+ 1 213.1234 -0.26
+  214.0823 C8H12N3O4+ 1 214.0822 0.54
+  216.1594 C11H22NO3+ 1 216.1594 -0.18
+  217.1339 H25O12+ 2 217.1341 -0.48
+  220.1082 C11H14N3O2+ 1 220.1081 0.54
+  221.0916 C11H13N2O3+ 2 221.0921 -1.96
+  223.1438 C12H19N2O2+ 2 223.1441 -1.17
+  224.104 C12H16O4+ 2 224.1043 -1.56
+  224.1391 C11H18N3O2+ 2 224.1394 -1.33
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+  226.1198 C12H18O4+ 1 226.12 -0.82
+  226.1433 C12H20NO3+ 2 226.1438 -1.99
+  227.0661 C8H5N9+ 2 227.0662 -0.7
+  228.0983 C9H14N3O4+ 3 228.0979 2.03
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+  234.0879 C11H12N3O3+ 2 234.0873 2.42
+  235.1441 C13H19N2O2+ 2 235.1441 -0.21
+  236.1026 C11H14N3O3+ 2 236.103 -1.68
+  238.119 C11H16N3O3+ 2 238.1186 1.52
+  239.1392 C12H19N2O3+ 1 239.139 0.83
+  243.1486 H25N3O11+ 5 243.1484 1.05
+  243.1707 C12H23N2O3+ 1 243.1703 1.74
+  244.0923 C8H8N10+ 3 244.0928 -1.83
+  244.1539 C12H22NO4+ 2 244.1543 -1.85
+  248.1035 C12H14N3O3+ 2 248.103 2.32
+  250.1191 C12H16N3O3+ 2 250.1186 1.92
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+  308.197 C16H26N3O3+ 7 308.1969 0.53
+  313.2122 C16H29N2O4+ 7 313.2122 -0.02
+  319.1657 C3H25N7O10+ 8 319.1657 0
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+  359.2166 CH31N10O11+ 11 359.2168 -0.63
+  372.2131 C17H30N3O6+ 11 372.2129 0.48
+  376.1862 C4H32N4O15+ 10 376.1859 0.81
+PK$NUM_PEAK: 180
+PK$PEAK: m/z int. rel.int.
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+//
diff --git a/Eawag/MSBNK-MLU-ED035507.txt b/Eawag/MSBNK-MLU-ED035507.txt
new file mode 100644
index 0000000000..29850367c7
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED035507.txt
@@ -0,0 +1,386 @@
+ACCESSION: MSBNK-MLU-ED035507
+RECORD_TITLE: Lyngbyazothrin B; LC-ESI-QFT; MS2; CE: 60%; R=17500; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], E. N. Zainuddin [dtc], S. Mundt [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 355
+CH$NAME: Lyngbyazothrin B
+CH$NAME: 3-[(3S,12S,19S,28S,31E,34S,37R,40S)-37-[(2S)-butan-2-yl]-31-ethylidene-15-hydroxy-28-[(1R)-1-hydroxyethyl]-34-(hydroxymethyl)-2,8,11,14,18,24,27,30,33,36,39-undecaoxo-25-(2-phenylethyl)-16-(2,4,5-trihydroxy-7-methyloctyl)-1,7,10,13,17,23,26,29,32,35,38-undecazatetracyclo[38.3.0.03,7.019,23]tritetracontan-12-yl]propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C61H94N12O18
+CH$EXACT_MASS: 1282.680904
+CH$SMILES: [H]C1=CC=C(CCC2NC([C@@H](NC(/C(NC([C@@H](NC([C@H](NC([C@@H]3CCCN3C([C@H]4N(C(CNC([C@@H](NC(C(O)C(CC(O[H])CC(O)C(O)CC(C)C)NC([C@@H]5CCCN5C2=O)=O)=O)CCC(N)=O)=O)=O)CCC4)=O)=O)[C@@H](C)CC)=O)CO)=O)=C\C)=O)[C@@H](C)O)=O)C=C1
+CH$IUPAC: InChI=1S/C61H94N12O18/c1-7-33(5)49-57(87)68-41(31-74)54(84)64-37(8-2)53(83)70-50(34(6)75)58(88)66-39(21-20-35-15-10-9-11-16-35)60(90)72-25-12-17-42(72)55(85)67-40(28-36(76)29-46(78)45(77)27-32(3)4)51(81)59(89)65-38(22-23-47(62)79)52(82)63-30-48(80)71-24-14-19-44(71)61(91)73-26-13-18-43(73)56(86)69-49/h8-11,15-16,32-34,36,38-46,49-51,74-78,81H,7,12-14,17-31H2,1-6H3,(H2,62,79)(H,63,82)(H,64,84)(H,65,89)(H,66,88)(H,67,85)(H,68,87)(H,69,86)(H,70,83)/b37-8+/t33-,34+,36?,38-,39?,40?,41-,42-,43-,44-,45?,46?,49+,50-,51?/m0/s1
+CH$LINK: PUBCHEM CID:44254416
+CH$LINK: INCHIKEY OCPKVHKLLYWOOG-AZFXQPBMSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 88-1325
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.784 min
+MS$FOCUSED_ION: BASE_PEAK 657.3527
+MS$FOCUSED_ION: PRECURSOR_M/Z 1283.6882
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 62281408.36
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-003v-1900000000-97fb532552b3cf1bb7ab
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
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+  95.0855 C7H11+ 1 95.0855 -0.08
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+  186.1276 C13H16N+ 1 186.1277 -0.55
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+  207.0762 C10H11N2O3+ 1 207.0764 -1.04
+  208.0714 C9H10N3O3+ 1 208.0717 -1.07
+  208.1332 C12H18NO2+ 1 208.1332 0.11
+  209.0555 C9H9N2O4+ 1 209.0557 -0.86
+  211.1438 C11H19N2O2+ 2 211.1441 -1.37
+  212.066 C8H10N3O4+ 2 212.0666 -2.54
+  214.0828 C8H12N3O4+ 3 214.0822 2.53
+  216.1594 C11H22NO3+ 1 216.1594 -0.04
+  217.1338 H25O12+ 2 217.1341 -1.04
+  220.1083 C11H14N3O2+ 1 220.1081 1.03
+  221.092 C11H13N2O3+ 1 221.0921 -0.24
+  225.1592 C12H21N2O2+ 2 225.1598 -2.39
+  226.1431 C12H20NO3+ 2 226.1438 -2.8
+  227.0653 C8H5N9+ 3 227.0662 -4.13
+  234.0875 C11H12N3O3+ 2 234.0873 0.85
+  235.1436 C13H19N2O2+ 3 235.1441 -2.02
+  238.1189 C11H16N3O3+ 2 238.1186 1.08
+  243.1699 C12H23N2O3+ 2 243.1703 -1.9
+  244.0925 C8H8N10+ 3 244.0928 -1.27
+  244.154 C12H22NO4+ 2 244.1543 -1.53
+  252.1342 C12H18N3O3+ 1 252.1343 -0.16
+  261.1806 C12H25N2O4+ 2 261.1809 -1.03
+  266.1133 C12H16N3O4+ 2 266.1135 -0.73
+PK$NUM_PEAK: 172
+PK$PEAK: m/z int. rel.int.
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+//
diff --git a/Eawag/MSBNK-MLU-ED035508.txt b/Eawag/MSBNK-MLU-ED035508.txt
new file mode 100644
index 0000000000..4b760896be
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED035508.txt
@@ -0,0 +1,336 @@
+ACCESSION: MSBNK-MLU-ED035508
+RECORD_TITLE: Lyngbyazothrin B; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], E. N. Zainuddin [dtc], S. Mundt [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 355
+CH$NAME: Lyngbyazothrin B
+CH$NAME: 3-[(3S,12S,19S,28S,31E,34S,37R,40S)-37-[(2S)-butan-2-yl]-31-ethylidene-15-hydroxy-28-[(1R)-1-hydroxyethyl]-34-(hydroxymethyl)-2,8,11,14,18,24,27,30,33,36,39-undecaoxo-25-(2-phenylethyl)-16-(2,4,5-trihydroxy-7-methyloctyl)-1,7,10,13,17,23,26,29,32,35,38-undecazatetracyclo[38.3.0.03,7.019,23]tritetracontan-12-yl]propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C61H94N12O18
+CH$EXACT_MASS: 1282.680904
+CH$SMILES: [H]C1=CC=C(CCC2NC([C@@H](NC(/C(NC([C@@H](NC([C@H](NC([C@@H]3CCCN3C([C@H]4N(C(CNC([C@@H](NC(C(O)C(CC(O[H])CC(O)C(O)CC(C)C)NC([C@@H]5CCCN5C2=O)=O)=O)CCC(N)=O)=O)=O)CCC4)=O)=O)[C@@H](C)CC)=O)CO)=O)=C\C)=O)[C@@H](C)O)=O)C=C1
+CH$IUPAC: InChI=1S/C61H94N12O18/c1-7-33(5)49-57(87)68-41(31-74)54(84)64-37(8-2)53(83)70-50(34(6)75)58(88)66-39(21-20-35-15-10-9-11-16-35)60(90)72-25-12-17-42(72)55(85)67-40(28-36(76)29-46(78)45(77)27-32(3)4)51(81)59(89)65-38(22-23-47(62)79)52(82)63-30-48(80)71-24-14-19-44(71)61(91)73-26-13-18-43(73)56(86)69-49/h8-11,15-16,32-34,36,38-46,49-51,74-78,81H,7,12-14,17-31H2,1-6H3,(H2,62,79)(H,63,82)(H,64,84)(H,65,89)(H,66,88)(H,67,85)(H,68,87)(H,69,86)(H,70,83)/b37-8+/t33-,34+,36?,38-,39?,40?,41-,42-,43-,44-,45?,46?,49+,50-,51?/m0/s1
+CH$LINK: PUBCHEM CID:44254416
+CH$LINK: INCHIKEY OCPKVHKLLYWOOG-AZFXQPBMSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 88-1325
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.784 min
+MS$FOCUSED_ION: BASE_PEAK 657.3527
+MS$FOCUSED_ION: PRECURSOR_M/Z 1283.6882
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 62281408.36
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-002g-3900000000-96b5ad4a6a127df9b510
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  91.0542 C7H7+ 1 91.0542 -0.26
+  93.0334 C6H5O+ 1 93.0335 -0.98
+  93.0699 C7H9+ 1 93.0699 -0.17
+  94.0651 C6H8N+ 1 94.0651 0.02
+  95.0127 C5H3O2+ 1 95.0128 -0.31
+  95.0491 C6H7O+ 1 95.0491 -0.63
+  95.0602 C5H7N2+ 1 95.0604 -1.38
+  95.0856 C7H11+ 1 95.0855 0.49
+  96.0444 C5H6NO+ 1 96.0444 -0.05
+  96.0808 C6H10N+ 1 96.0808 -0.13
+  97.0649 C6H9O+ 1 97.0648 1.5
+  97.076 C5H9N2+ 1 97.076 -0.73
+  97.1012 C7H13+ 1 97.1012 -0.24
+  98.06 C5H8NO+ 1 98.06 -0.16
+  98.0964 C6H12N+ 1 98.0964 -0.63
+  99.0804 C6H11O+ 1 99.0804 -0.06
+  100.0392 C4H6NO2+ 1 100.0393 -1.14
+  100.0759 C5H10NO+ 1 100.0757 2.13
+  101.0709 C4H9N2O+ 1 101.0709 -0.01
+  104.0342 C3H6NO3+ 1 104.0342 -0.06
+  105.0699 C8H9+ 1 105.0699 0.48
+  106.0651 C7H8N+ 1 106.0651 -0.04
+  107.0491 C7H7O+ 1 107.0491 -0.45
+  107.0606 C6H7N2+ 1 107.0604 1.8
+  107.0855 C8H11+ 1 107.0855 -0.1
+  108.0446 C6H6NO+ 1 108.0444 1.87
+  108.0807 C7H10N+ 1 108.0808 -0.96
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+  109.0759 C6H9N2+ 1 109.076 -1.31
+  109.1013 C8H13+ 1 109.1012 1.3
+  110.06 C6H8NO+ 1 110.06 -0.58
+  110.0965 C7H12N+ 1 110.0964 1.01
+  111.0553 C5H7N2O+ 1 111.0553 -0.1
+  111.0916 C6H11N2+ 1 111.0917 -0.65
+  112.0393 C5H6NO2+ 1 112.0393 -0.28
+  112.0756 C6H10NO+ 1 112.0757 -0.49
+  113.0709 C5H9N2O+ 1 113.0709 -0.07
+  114.055 C5H8NO2+ 1 114.055 0.69
+  114.0914 C6H12NO+ 1 114.0913 0.09
+  115.0543 C9H7+ 1 115.0542 1.01
+  115.0865 C5H11N2O+ 1 115.0866 -0.44
+  116.0705 C5H10NO2+ 1 116.0706 -1.07
+  117.0699 C9H9+ 1 117.0699 0.43
+  119.0856 C9H11+ 1 119.0855 0.25
+  120.0812 C8H10N+ 1 120.0808 3.43
+  121.1011 C9H13+ 1 121.1012 -0.93
+  122.0602 C7H8NO+ 1 122.06 1.7
+  123.0553 C6H7N2O+ 1 123.0553 0.06
+  123.0917 C7H11N2+ 1 123.0917 0.43
+  123.1169 C9H15+ 1 123.1168 0.51
+  124.0393 C6H6NO2+ 1 124.0393 -0.17
+  124.0758 C7H10NO+ 1 124.0757 0.93
+  125.071 C6H9N2O+ 1 125.0709 0.24
+  125.0962 C8H13O+ 1 125.0961 0.75
+  126.0549 C6H8NO2+ 1 126.055 -0.42
+  126.0912 C7H12NO+ 1 126.0913 -0.91
+  127.0502 C5H7N2O2+ 1 127.0502 0.23
+  127.0865 C6H11N2O+ 1 127.0866 -0.31
+  128.0705 C6H10NO2+ 1 128.0706 -0.54
+  130.05 C5H8NO3+ 1 130.0499 1.29
+  131.0855 C10H11+ 1 131.0855 0.17
+  133.0761 C8H9N2+ 1 133.076 0.63
+  133.1015 C10H13+ 1 133.1012 2.42
+  134.0605 C8H8NO+ 1 134.06 3.54
+  134.0964 C9H12N+ 1 134.0964 -0.51
+  135.0442 C8H7O2+ 1 135.0441 0.85
+  135.0551 C7H7N2O+ 1 135.0553 -1.66
+  135.1168 C10H15+ 1 135.1168 -0.41
+  137.0708 C7H9N2O+ 1 137.0709 -0.7
+  137.0959 C9H13O+ 1 137.0961 -1.19
+  137.1072 C8H13N2+ 1 137.1073 -0.99
+  138.0549 C7H8NO2+ 1 138.055 -0.32
+  138.091 C8H12NO+ 1 138.0913 -2.15
+  138.1276 C9H16N+ 1 138.1277 -1.11
+  139.0501 C6H7N2O2+ 1 139.0502 -1.05
+  139.0864 C7H11N2O+ 1 139.0866 -1.23
+  139.1116 C9H15O+ 1 139.1117 -1.05
+  140.0704 C7H10NO2+ 1 140.0706 -1.17
+  140.0817 C6H10N3O+ 1 140.0818 -1.08
+  141.0657 C6H9N2O2+ 1 141.0659 -1.24
+  142.0496 C6H8NO3+ 1 142.0499 -1.73
+  143.1066 C8H15O2+ 1 143.1067 -0.29
+  145.0645 C10H9O+ 1 145.0648 -1.71
+  145.1011 C11H13+ 1 145.1012 -0.4
+  146.0961 C10H12N+ 1 146.0964 -2.14
+  148.0757 C9H10NO+ 1 148.0757 -0.16
+  149.1072 C9H13N2+ 1 149.1073 -1.08
+  150.1276 C10H16N+ 1 150.1277 -0.56
+  151.0501 C7H7N2O2+ 1 151.0502 -0.38
+  151.0862 C8H11N2O+ 1 151.0866 -2.86
+  151.1115 C10H15O+ 1 151.1117 -1.28
+  151.1232 C9H15N2+ 1 151.123 1.53
+  152.1433 C10H18N+ 1 152.1434 -0.17
+  153.0659 C7H9N2O2+ 1 153.0659 0
+  153.1021 C8H13N2O+ 1 153.1022 -1.05
+  155.0451 C6H7N2O3+ 1 155.0451 -0.05
+  155.0813 C7H11N2O2+ 1 155.0815 -1.19
+  156.0655 C7H10NO3+ 1 156.0655 -0.42
+  157.0972 C7H13N2O2+ 1 157.0972 -0.02
+  159.0764 C6H11N2O3+ 1 159.0764 -0.07
+  160.1119 C11H14N+ 1 160.1121 -1.26
+  161.0705 C9H9N2O+ 1 161.0709 -2.56
+  162.1275 C11H16N+ 1 162.1277 -1.54
+  163.0502 C8H7N2O2+ 1 163.0502 -0.24
+  163.0864 C9H11N2O+ 1 163.0866 -1.13
+  163.1115 C11H15O+ 1 163.1117 -1.63
+  165.0662 C8H9N2O2+ 1 165.0659 1.89
+  165.1025 C9H13N2O+ 1 165.1022 1.28
+  167.0815 C8H11N2O2+ 1 167.0815 0.13
+  167.1178 C9H15N2O+ 1 167.1179 -0.83
+  167.1542 C10H19N2+ 1 167.1543 -0.7
+  168.0767 C7H10N3O2+ 1 168.0768 -0.27
+  168.138 C10H18NO+ 1 168.1383 -1.71
+  169.0605 C7H9N2O3+ 1 169.0608 -1.63
+  170.0447 C7H8NO4+ 1 170.0448 -0.74
+  171.0764 C7H11N2O3+ 1 171.0764 -0.28
+  172.1119 C12H14N+ 1 172.1121 -0.86
+  173.0945 C10H11N3+ 1 173.0947 -1.5
+  177.102 C10H13N2O+ 1 177.1022 -1.12
+  178.0974 C9H12N3O+ 1 178.0975 -0.64
+  179.0448 C8H7N2O3+ 1 179.0451 -1.55
+  180.0769 C8H10N3O2+ 1 180.0768 0.91
+  180.1384 C11H18NO+ 1 180.1383 0.67
+  181.0611 C8H9N2O3+ 1 181.0608 1.9
+  181.0967 C9H13N2O2+ 2 181.0972 -2.7
+  183.0764 C8H11N2O3+ 1 183.0764 -0.31
+  183.1492 C10H19N2O+ 1 183.1492 0.09
+  185.0921 C8H13N2O3+ 1 185.0921 -0.01
+  186.0883 C9H14O4+ 1 186.0887 -2.01
+  186.1278 C13H16N+ 1 186.1277 0.19
+  186.1481 C10H20NO2+ 2 186.1489 -4.14
+  187.0718 C7H11N2O4+ 2 187.0713 2.71
+  190.1225 C12H16NO+ 1 190.1226 -0.94
+  191.0446 C9H7N2O3+ 2 191.0451 -2.96
+  191.0817 C10H11N2O2+ 1 191.0815 0.83
+  191.105 C10H13N3O+ 1 191.1053 -1.75
+  193.097 C10H13N2O2+ 1 193.0972 -0.94
+  195.113 C10H15N2O2+ 1 195.1128 0.92
+  197.128 C10H17N2O2+ 2 197.1285 -2.28
+  198.1489 C11H20NO2+ 1 198.1489 0.13
+  206.0924 C10H12N3O2+ 1 206.0924 -0.14
+  207.1133 C11H15N2O2+ 1 207.1128 2.46
+  208.1332 C12H18NO2+ 1 208.1332 -0.25
+  209.0559 C9H9N2O4+ 1 209.0557 1.26
+  216.1593 C11H22NO3+ 1 216.1594 -0.39
+  220.1079 C11H14N3O2+ 1 220.1081 -0.5
+  235.1439 C13H19N2O2+ 2 235.1441 -0.66
+PK$NUM_PEAK: 147
+PK$PEAK: m/z int. rel.int.
+  91.0542 3894511.5 999
+  93.0334 52251.5 13
+  93.0699 315818.3 81
+  94.0651 203337.2 52
+  95.0127 107245.4 27
+  95.0491 270596.3 69
+  95.0602 99109.6 25
+  95.0856 186346.5 47
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+//
diff --git a/Eawag/MSBNK-MLU-ED035509.txt b/Eawag/MSBNK-MLU-ED035509.txt
new file mode 100644
index 0000000000..2142b5d6ff
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED035509.txt
@@ -0,0 +1,274 @@
+ACCESSION: MSBNK-MLU-ED035509
+RECORD_TITLE: Lyngbyazothrin B; LC-ESI-QFT; MS2; CE: 80%; R=17500; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], E. N. Zainuddin [dtc], S. Mundt [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 355
+CH$NAME: Lyngbyazothrin B
+CH$NAME: 3-[(3S,12S,19S,28S,31E,34S,37R,40S)-37-[(2S)-butan-2-yl]-31-ethylidene-15-hydroxy-28-[(1R)-1-hydroxyethyl]-34-(hydroxymethyl)-2,8,11,14,18,24,27,30,33,36,39-undecaoxo-25-(2-phenylethyl)-16-(2,4,5-trihydroxy-7-methyloctyl)-1,7,10,13,17,23,26,29,32,35,38-undecazatetracyclo[38.3.0.03,7.019,23]tritetracontan-12-yl]propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C61H94N12O18
+CH$EXACT_MASS: 1282.680904
+CH$SMILES: [H]C1=CC=C(CCC2NC([C@@H](NC(/C(NC([C@@H](NC([C@H](NC([C@@H]3CCCN3C([C@H]4N(C(CNC([C@@H](NC(C(O)C(CC(O[H])CC(O)C(O)CC(C)C)NC([C@@H]5CCCN5C2=O)=O)=O)CCC(N)=O)=O)=O)CCC4)=O)=O)[C@@H](C)CC)=O)CO)=O)=C\C)=O)[C@@H](C)O)=O)C=C1
+CH$IUPAC: InChI=1S/C61H94N12O18/c1-7-33(5)49-57(87)68-41(31-74)54(84)64-37(8-2)53(83)70-50(34(6)75)58(88)66-39(21-20-35-15-10-9-11-16-35)60(90)72-25-12-17-42(72)55(85)67-40(28-36(76)29-46(78)45(77)27-32(3)4)51(81)59(89)65-38(22-23-47(62)79)52(82)63-30-48(80)71-24-14-19-44(71)61(91)73-26-13-18-43(73)56(86)69-49/h8-11,15-16,32-34,36,38-46,49-51,74-78,81H,7,12-14,17-31H2,1-6H3,(H2,62,79)(H,63,82)(H,64,84)(H,65,89)(H,66,88)(H,67,85)(H,68,87)(H,69,86)(H,70,83)/b37-8+/t33-,34+,36?,38-,39?,40?,41-,42-,43-,44-,45?,46?,49+,50-,51?/m0/s1
+CH$LINK: PUBCHEM CID:44254416
+CH$LINK: INCHIKEY OCPKVHKLLYWOOG-AZFXQPBMSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 88-1325
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.784 min
+MS$FOCUSED_ION: BASE_PEAK 657.3527
+MS$FOCUSED_ION: PRECURSOR_M/Z 1283.6882
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 62281408.36
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0007-5900000000-86902033cdba905bfe1e
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  91.0542 C7H7+ 1 91.0542 -0.42
+  93.0334 C6H5O+ 1 93.0335 -0.66
+  93.0573 C6H7N+ 1 93.0573 -0.47
+  93.0698 C7H9+ 1 93.0699 -0.5
+  94.0651 C6H8N+ 1 94.0651 0.1
+  95.0126 C5H3O2+ 1 95.0128 -1.19
+  95.0491 C6H7O+ 1 95.0491 -0.31
+  95.0603 C5H7N2+ 1 95.0604 -1.06
+  95.0855 C7H11+ 1 95.0855 -0.24
+  96.0444 C5H6NO+ 1 96.0444 0.11
+  96.0808 C6H10N+ 1 96.0808 0.11
+  97.0648 C6H9O+ 1 97.0648 -0.16
+  97.0759 C5H9N2+ 1 97.076 -1.05
+  97.1012 C7H13+ 1 97.1012 -0.16
+  98.06 C5H8NO+ 1 98.06 -0.23
+  98.0963 C6H12N+ 1 98.0964 -0.94
+  99.0804 C6H11O+ 1 99.0804 -0.52
+  100.0393 C4H6NO2+ 1 100.0393 0.16
+  100.0757 C5H10NO+ 1 100.0757 0.07
+  101.0709 C4H9N2O+ 1 101.0709 -0.09
+  104.0341 C3H6NO3+ 1 104.0342 -0.79
+  105.0699 C8H9+ 1 105.0699 0.56
+  106.0653 C7H8N+ 1 106.0651 1.47
+  107.0492 C7H7O+ 1 107.0491 0.41
+  107.0606 C6H7N2+ 1 107.0604 2.02
+  107.0855 C8H11+ 1 107.0855 -0.03
+  108.0442 C6H6NO+ 1 108.0444 -1.45
+  108.0807 C7H10N+ 1 108.0808 -0.53
+  109.0396 C5H5N2O+ 1 109.0396 -0.39
+  109.0648 C7H9O+ 1 109.0648 0.19
+  109.076 C6H9N2+ 1 109.076 -0.26
+  110.06 C6H8NO+ 1 110.06 -0.3
+  111.0552 C5H7N2O+ 1 111.0553 -0.92
+  111.0917 C6H11N2+ 1 111.0917 0.17
+  112.0393 C5H6NO2+ 1 112.0393 -0.21
+  112.0756 C6H10NO+ 1 112.0757 -0.83
+  113.0709 C5H9N2O+ 1 113.0709 0.06
+  114.0551 C5H8NO2+ 1 114.055 1.09
+  114.0912 C6H12NO+ 1 114.0913 -0.92
+  115.0543 C9H7+ 1 115.0542 0.67
+  115.0866 C5H11N2O+ 1 115.0866 -0.11
+  116.0706 C5H10NO2+ 1 116.0706 0.25
+  117.0699 C9H9+ 1 117.0699 0.17
+  120.0808 C8H10N+ 1 120.0808 0.38
+  121.1011 C9H13+ 1 121.1012 -0.68
+  122.0601 C7H8NO+ 1 122.06 0.39
+  123.0553 C6H7N2O+ 1 123.0553 0.25
+  123.0916 C7H11N2+ 1 123.0917 -0.62
+  124.0394 C6H6NO2+ 1 124.0393 1.06
+  124.0756 C7H10NO+ 1 124.0757 -0.42
+  125.0709 C6H9N2O+ 1 125.0709 -0.61
+  125.0962 C8H13O+ 1 125.0961 0.75
+  125.107 C7H13N2+ 1 125.1073 -2.39
+  126.0549 C6H8NO2+ 1 126.055 -0.54
+  126.0914 C7H12NO+ 1 126.0913 0.24
+  127.0502 C5H7N2O2+ 1 127.0502 0.11
+  127.0865 C6H11N2O+ 1 127.0866 -0.43
+  128.0708 C6H10NO2+ 1 128.0706 1.24
+  130.0498 C5H8NO3+ 1 130.0499 -0.59
+  131.0855 C10H11+ 1 131.0855 -0.07
+  133.0756 C8H9N2+ 1 133.076 -3.04
+  134.0596 C8H8NO+ 1 134.06 -3.41
+  134.0964 C9H12N+ 1 134.0964 -0.51
+  135.0553 C7H7N2O+ 1 135.0553 0.04
+  135.0921 C8H11N2+ 1 135.0917 3.14
+  135.1168 C10H15+ 1 135.1168 -0.29
+  136.0759 C8H10NO+ 1 136.0757 1.72
+  137.0708 C7H9N2O+ 1 137.0709 -1.04
+  137.0959 C9H13O+ 1 137.0961 -1.52
+  137.1073 C8H13N2+ 1 137.1073 0.01
+  138.055 C7H8NO2+ 1 138.055 0.56
+  138.1273 C9H16N+ 1 138.1277 -2.88
+  139.05 C6H7N2O2+ 1 139.0502 -1.16
+  139.0865 C7H11N2O+ 1 139.0866 -0.79
+  139.1116 C9H15O+ 1 139.1117 -1.27
+  140.0705 C7H10NO2+ 1 140.0706 -0.95
+  140.0819 C6H10N3O+ 1 140.0818 0.12
+  141.0657 C6H9N2O2+ 1 141.0659 -0.81
+  143.1066 C8H15O2+ 1 143.1067 -0.61
+  145.1011 C11H13+ 1 145.1012 -0.51
+  146.0963 C10H12N+ 1 146.0964 -0.88
+  148.0756 C9H10NO+ 1 148.0757 -0.36
+  149.0712 C8H9N2O+ 1 149.0709 1.43
+  150.1276 C10H16N+ 1 150.1277 -0.86
+  151.0502 C7H7N2O2+ 1 151.0502 -0.18
+  151.0868 C8H11N2O+ 1 151.0866 1.08
+  151.1118 C10H15O+ 1 151.1117 0.33
+  151.123 C9H15N2+ 1 151.123 0.32
+  153.066 C7H9N2O2+ 1 153.0659 1.1
+  153.1018 C8H13N2O+ 1 153.1022 -3.05
+  155.0452 C6H7N2O3+ 1 155.0451 0.54
+  155.0813 C7H11N2O2+ 1 155.0815 -1.58
+  160.1121 C11H14N+ 1 160.1121 -0.12
+  161.0712 C9H9N2O+ 1 161.0709 1.6
+  163.0507 C8H7N2O2+ 1 163.0502 2.76
+  163.0872 C9H11N2O+ 1 163.0866 3.64
+  163.1118 C11H15O+ 1 163.1117 0.24
+  165.0664 C8H9N2O2+ 1 165.0659 3.09
+  167.0818 C8H11N2O2+ 1 167.0815 1.68
+  167.1181 C9H15N2O+ 1 167.1179 1.36
+  168.1385 C10H18NO+ 1 168.1383 1.01
+  169.0607 C7H9N2O3+ 1 169.0608 -0.64
+  171.0764 C7H11N2O3+ 1 171.0764 -0.11
+  177.1024 C10H13N2O+ 1 177.1022 0.95
+  178.0975 C9H12N3O+ 1 178.0975 0.3
+  180.1383 C11H18NO+ 1 180.1383 0.33
+  183.0766 C8H11N2O3+ 1 183.0764 0.85
+  183.1493 C10H19N2O+ 1 183.1492 0.59
+  186.1277 C13H16N+ 1 186.1277 -0.06
+  191.0454 C9H7N2O3+ 1 191.0451 1.35
+  191.1053 C10H13N3O+ 1 191.1053 0.08
+  195.113 C10H15N2O2+ 1 195.1128 1
+  198.1489 C11H20NO2+ 1 198.1489 0.37
+  208.1332 C12H18NO2+ 1 208.1332 -0.03
+  216.1597 C11H22NO3+ 1 216.1594 1.16
+  220.1079 C11H14N3O2+ 1 220.1081 -0.64
+PK$NUM_PEAK: 116
+PK$PEAK: m/z int. rel.int.
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+  104.0341 52533.2 12
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+  208.1332 56042.2 12
+  216.1597 52831.2 12
+  220.1079 142356.7 32
+//
diff --git a/Eawag/MSBNK-MLU-ED035551.txt b/Eawag/MSBNK-MLU-ED035551.txt
new file mode 100644
index 0000000000..cf73b48cd0
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED035551.txt
@@ -0,0 +1,60 @@
+ACCESSION: MSBNK-MLU-ED035551
+RECORD_TITLE: Lyngbyazothrin B; LC-ESI-QFT; MS2; CE: 15%; R=17500; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], E. N. Zainuddin [dtc], S. Mundt [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 355
+CH$NAME: Lyngbyazothrin B
+CH$NAME: 3-[(3S,12S,19S,28S,31E,34S,37R,40S)-37-[(2S)-butan-2-yl]-31-ethylidene-15-hydroxy-28-[(1R)-1-hydroxyethyl]-34-(hydroxymethyl)-2,8,11,14,18,24,27,30,33,36,39-undecaoxo-25-(2-phenylethyl)-16-(2,4,5-trihydroxy-7-methyloctyl)-1,7,10,13,17,23,26,29,32,35,38-undecazatetracyclo[38.3.0.03,7.019,23]tritetracontan-12-yl]propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C61H94N12O18
+CH$EXACT_MASS: 1282.680904
+CH$SMILES: [H]C1=CC=C(CCC2NC([C@@H](NC(/C(NC([C@@H](NC([C@H](NC([C@@H]3CCCN3C([C@H]4N(C(CNC([C@@H](NC(C(O)C(CC(O[H])CC(O)C(O)CC(C)C)NC([C@@H]5CCCN5C2=O)=O)=O)CCC(N)=O)=O)=O)CCC4)=O)=O)[C@@H](C)CC)=O)CO)=O)=C\C)=O)[C@@H](C)O)=O)C=C1
+CH$IUPAC: InChI=1S/C61H94N12O18/c1-7-33(5)49-57(87)68-41(31-74)54(84)64-37(8-2)53(83)70-50(34(6)75)58(88)66-39(21-20-35-15-10-9-11-16-35)60(90)72-25-12-17-42(72)55(85)67-40(28-36(76)29-46(78)45(77)27-32(3)4)51(81)59(89)65-38(22-23-47(62)79)52(82)63-30-48(80)71-24-14-19-44(71)61(91)73-26-13-18-43(73)56(86)69-49/h8-11,15-16,32-34,36,38-46,49-51,74-78,81H,7,12-14,17-31H2,1-6H3,(H2,62,79)(H,63,82)(H,64,84)(H,65,89)(H,66,88)(H,67,85)(H,68,87)(H,69,86)(H,70,83)/b37-8+/t33-,34+,36?,38-,39?,40?,41-,42-,43-,44-,45?,46?,49+,50-,51?/m0/s1
+CH$LINK: PUBCHEM CID:44254416
+CH$LINK: INCHIKEY OCPKVHKLLYWOOG-AZFXQPBMSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 88-1325
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.762 min
+MS$FOCUSED_ION: BASE_PEAK 1311.683
+MS$FOCUSED_ION: PRECURSOR_M/Z 1281.6736
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 27914257.13
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-000i-0090000000-61439b012c057239fe4c
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  1207.6376 C60H89N9O17- 2 1207.6382 -0.52
+  1208.6363 C61H90N7O18- 2 1208.6348 1.29
+  1219.6375 C59H87N12O16- 2 1219.6368 0.49
+  1220.6337 C60H88N10O17- 1 1220.6334 0.19
+  1237.6471 C59H89N12O17- 2 1237.6474 -0.24
+  1238.6428 C60H90N10O18- 1 1238.644 -0.94
+  1251.6615 C60H91N12O17- 1 1251.6631 -1.23
+  1263.6617 C61H91N12O17- 1 1263.6631 -1.11
+  1281.6729 C61H93N12O18- 1 1281.6736 -0.56
+PK$NUM_PEAK: 9
+PK$PEAK: m/z int. rel.int.
+  1207.6376 6505603.5 372
+  1208.6363 464728.5 26
+  1219.6375 3075361.8 176
+  1220.6337 223123 12
+  1237.6471 17429198 999
+  1238.6428 1372898.1 78
+  1251.6615 648973.3 37
+  1263.6617 787399 45
+  1281.6729 4486345 257
+//
diff --git a/Eawag/MSBNK-MLU-ED035552.txt b/Eawag/MSBNK-MLU-ED035552.txt
new file mode 100644
index 0000000000..a7af677075
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED035552.txt
@@ -0,0 +1,66 @@
+ACCESSION: MSBNK-MLU-ED035552
+RECORD_TITLE: Lyngbyazothrin B; LC-ESI-QFT; MS2; CE: 20%; R=17500; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], E. N. Zainuddin [dtc], S. Mundt [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 355
+CH$NAME: Lyngbyazothrin B
+CH$NAME: 3-[(3S,12S,19S,28S,31E,34S,37R,40S)-37-[(2S)-butan-2-yl]-31-ethylidene-15-hydroxy-28-[(1R)-1-hydroxyethyl]-34-(hydroxymethyl)-2,8,11,14,18,24,27,30,33,36,39-undecaoxo-25-(2-phenylethyl)-16-(2,4,5-trihydroxy-7-methyloctyl)-1,7,10,13,17,23,26,29,32,35,38-undecazatetracyclo[38.3.0.03,7.019,23]tritetracontan-12-yl]propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C61H94N12O18
+CH$EXACT_MASS: 1282.680904
+CH$SMILES: [H]C1=CC=C(CCC2NC([C@@H](NC(/C(NC([C@@H](NC([C@H](NC([C@@H]3CCCN3C([C@H]4N(C(CNC([C@@H](NC(C(O)C(CC(O[H])CC(O)C(O)CC(C)C)NC([C@@H]5CCCN5C2=O)=O)=O)CCC(N)=O)=O)=O)CCC4)=O)=O)[C@@H](C)CC)=O)CO)=O)=C\C)=O)[C@@H](C)O)=O)C=C1
+CH$IUPAC: InChI=1S/C61H94N12O18/c1-7-33(5)49-57(87)68-41(31-74)54(84)64-37(8-2)53(83)70-50(34(6)75)58(88)66-39(21-20-35-15-10-9-11-16-35)60(90)72-25-12-17-42(72)55(85)67-40(28-36(76)29-46(78)45(77)27-32(3)4)51(81)59(89)65-38(22-23-47(62)79)52(82)63-30-48(80)71-24-14-19-44(71)61(91)73-26-13-18-43(73)56(86)69-49/h8-11,15-16,32-34,36,38-46,49-51,74-78,81H,7,12-14,17-31H2,1-6H3,(H2,62,79)(H,63,82)(H,64,84)(H,65,89)(H,66,88)(H,67,85)(H,68,87)(H,69,86)(H,70,83)/b37-8+/t33-,34+,36?,38-,39?,40?,41-,42-,43-,44-,45?,46?,49+,50-,51?/m0/s1
+CH$LINK: PUBCHEM CID:44254416
+CH$LINK: INCHIKEY OCPKVHKLLYWOOG-AZFXQPBMSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 88-1325
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.762 min
+MS$FOCUSED_ION: BASE_PEAK 1311.683
+MS$FOCUSED_ION: PRECURSOR_M/Z 1281.6736
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 27914257.13
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0a4r-0290000000-26c0daad473a30f61851
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  134.1884 C5H26O3- 1 134.1887 -2.39
+  1189.6267 C58H85N12O15- 3 1189.6263 0.34
+  1190.6268 C61H88N7O17- 3 1190.6242 2.18
+  1207.637 C58H87N12O16- 2 1207.6368 0.09
+  1208.6379 C61H90N7O18- 2 1208.6348 2.61
+  1219.6362 C59H87N12O16- 2 1219.6368 -0.51
+  1220.6343 C60H88N10O17- 1 1220.6334 0.69
+  1233.6541 C60H89N12O16- 1 1233.6525 1.27
+  1237.6466 C59H89N12O17- 2 1237.6474 -0.64
+  1238.6413 C60H90N10O18- 1 1238.644 -2.22
+  1251.6637 C60H91N12O17- 1 1251.6631 0.53
+  1281.6749 C61H93N12O18- 1 1281.6736 0.96
+PK$NUM_PEAK: 12
+PK$PEAK: m/z int. rel.int.
+  134.1884 757469.3 60
+  1189.6267 6606802.5 524
+  1190.6268 548661.2 43
+  1207.637 12594912 999
+  1208.6379 1006577.9 79
+  1219.6362 5074102.5 402
+  1220.6343 427730.7 33
+  1233.6541 223090.5 17
+  1237.6466 5495219.5 435
+  1238.6413 403544.8 32
+  1251.6637 166746.7 13
+  1281.6749 225433 17
+//
diff --git a/Eawag/MSBNK-MLU-ED035553.txt b/Eawag/MSBNK-MLU-ED035553.txt
new file mode 100644
index 0000000000..ece9c0463d
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED035553.txt
@@ -0,0 +1,94 @@
+ACCESSION: MSBNK-MLU-ED035553
+RECORD_TITLE: Lyngbyazothrin B; LC-ESI-QFT; MS2; CE: 25%; R=17500; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], E. N. Zainuddin [dtc], S. Mundt [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 355
+CH$NAME: Lyngbyazothrin B
+CH$NAME: 3-[(3S,12S,19S,28S,31E,34S,37R,40S)-37-[(2S)-butan-2-yl]-31-ethylidene-15-hydroxy-28-[(1R)-1-hydroxyethyl]-34-(hydroxymethyl)-2,8,11,14,18,24,27,30,33,36,39-undecaoxo-25-(2-phenylethyl)-16-(2,4,5-trihydroxy-7-methyloctyl)-1,7,10,13,17,23,26,29,32,35,38-undecazatetracyclo[38.3.0.03,7.019,23]tritetracontan-12-yl]propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C61H94N12O18
+CH$EXACT_MASS: 1282.680904
+CH$SMILES: [H]C1=CC=C(CCC2NC([C@@H](NC(/C(NC([C@@H](NC([C@H](NC([C@@H]3CCCN3C([C@H]4N(C(CNC([C@@H](NC(C(O)C(CC(O[H])CC(O)C(O)CC(C)C)NC([C@@H]5CCCN5C2=O)=O)=O)CCC(N)=O)=O)=O)CCC4)=O)=O)[C@@H](C)CC)=O)CO)=O)=C\C)=O)[C@@H](C)O)=O)C=C1
+CH$IUPAC: InChI=1S/C61H94N12O18/c1-7-33(5)49-57(87)68-41(31-74)54(84)64-37(8-2)53(83)70-50(34(6)75)58(88)66-39(21-20-35-15-10-9-11-16-35)60(90)72-25-12-17-42(72)55(85)67-40(28-36(76)29-46(78)45(77)27-32(3)4)51(81)59(89)65-38(22-23-47(62)79)52(82)63-30-48(80)71-24-14-19-44(71)61(91)73-26-13-18-43(73)56(86)69-49/h8-11,15-16,32-34,36,38-46,49-51,74-78,81H,7,12-14,17-31H2,1-6H3,(H2,62,79)(H,63,82)(H,64,84)(H,65,89)(H,66,88)(H,67,85)(H,68,87)(H,69,86)(H,70,83)/b37-8+/t33-,34+,36?,38-,39?,40?,41-,42-,43-,44-,45?,46?,49+,50-,51?/m0/s1
+CH$LINK: PUBCHEM CID:44254416
+CH$LINK: INCHIKEY OCPKVHKLLYWOOG-AZFXQPBMSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 88-1325
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.762 min
+MS$FOCUSED_ION: BASE_PEAK 1311.683
+MS$FOCUSED_ION: PRECURSOR_M/Z 1281.6736
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 27914257.13
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-052r-0890000000-60a6d4503fa13b0f18cd
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  127.05 C3H5N5O- 1 127.05 0.23
+  128.0339 C3H4N4O2- 1 128.034 -0.61
+  134.1884 C5H26O3- 1 134.1887 -2.28
+  226.1558 C11H20N3O2- 2 226.1561 -1.24
+  264.099 C12H14N3O4- 3 264.099 0.23
+  281.1254 C12H17N4O4- 3 281.1255 -0.51
+  309.1206 C13H17N4O5- 7 309.1204 0.37
+  409.1726 C17H19N11O2- 12 409.1729 -0.68
+  453.2246 C9H31N11O10- 11 453.2261 -3.34
+  471.2364 C23H31N6O5- 10 471.2361 0.49
+  525.2561 C8H37N12O14- 13 525.2558 0.65
+  534.2671 C9H42N8O17- 14 534.2673 -0.39
+  734.41 C34H60N3O14- 19 734.4081 2.65
+  949.498 C55H65N8O7- 20 949.4982 -0.16
+  1061.5673 C53H77N10O13- 10 1061.5677 -0.38
+  1065.5544 C58H77N6O13- 11 1065.5554 -0.98
+  1067.5782 C52H79N10O14- 10 1067.5783 -0.09
+  1163.6436 C61H85N11O12- 5 1163.6385 4.45
+  1189.6267 C58H85N12O15- 3 1189.6263 0.34
+  1190.625 C61H88N7O17- 2 1190.6242 0.64
+  1201.6282 C61H87N9O16- 3 1201.6276 0.45
+  1207.6372 C58H87N12O16- 2 1207.6368 0.29
+  1208.6376 C61H90N7O18- 2 1208.6348 2.3
+  1219.6359 C59H87N12O16- 2 1219.6368 -0.81
+  1220.6351 C60H88N10O17- 1 1220.6334 1.39
+  1233.6504 C60H89N12O16- 1 1233.6525 -1.7
+PK$NUM_PEAK: 26
+PK$PEAK: m/z int. rel.int.
+  127.05 75115.3 11
+  128.0339 88484.2 13
+  134.1884 314619.5 48
+  226.1558 98968.8 15
+  264.099 74360.2 11
+  281.1254 74768.9 11
+  309.1206 153889 23
+  409.1726 91005.1 14
+  453.2246 111045.4 17
+  471.2364 104078.7 16
+  525.2561 516072.9 79
+  534.2671 114855.8 17
+  734.41 196981.4 30
+  949.498 223797.1 34
+  1061.5673 119551.2 18
+  1065.5544 159472.6 24
+  1067.5782 409941.8 63
+  1163.6436 104552.6 16
+  1189.6267 6451123 999
+  1190.625 654800.4 101
+  1201.6282 219323.4 33
+  1207.6372 5397458 835
+  1208.6376 385294.7 59
+  1219.6359 1607873.9 248
+  1220.6351 124010.9 19
+  1233.6504 97738.3 15
+//
diff --git a/Eawag/MSBNK-MLU-ED035554.txt b/Eawag/MSBNK-MLU-ED035554.txt
new file mode 100644
index 0000000000..edaeb5edcf
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED035554.txt
@@ -0,0 +1,156 @@
+ACCESSION: MSBNK-MLU-ED035554
+RECORD_TITLE: Lyngbyazothrin B; LC-ESI-QFT; MS2; CE: 30%; R=17500; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], E. N. Zainuddin [dtc], S. Mundt [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 355
+CH$NAME: Lyngbyazothrin B
+CH$NAME: 3-[(3S,12S,19S,28S,31E,34S,37R,40S)-37-[(2S)-butan-2-yl]-31-ethylidene-15-hydroxy-28-[(1R)-1-hydroxyethyl]-34-(hydroxymethyl)-2,8,11,14,18,24,27,30,33,36,39-undecaoxo-25-(2-phenylethyl)-16-(2,4,5-trihydroxy-7-methyloctyl)-1,7,10,13,17,23,26,29,32,35,38-undecazatetracyclo[38.3.0.03,7.019,23]tritetracontan-12-yl]propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C61H94N12O18
+CH$EXACT_MASS: 1282.680904
+CH$SMILES: [H]C1=CC=C(CCC2NC([C@@H](NC(/C(NC([C@@H](NC([C@H](NC([C@@H]3CCCN3C([C@H]4N(C(CNC([C@@H](NC(C(O)C(CC(O[H])CC(O)C(O)CC(C)C)NC([C@@H]5CCCN5C2=O)=O)=O)CCC(N)=O)=O)=O)CCC4)=O)=O)[C@@H](C)CC)=O)CO)=O)=C\C)=O)[C@@H](C)O)=O)C=C1
+CH$IUPAC: InChI=1S/C61H94N12O18/c1-7-33(5)49-57(87)68-41(31-74)54(84)64-37(8-2)53(83)70-50(34(6)75)58(88)66-39(21-20-35-15-10-9-11-16-35)60(90)72-25-12-17-42(72)55(85)67-40(28-36(76)29-46(78)45(77)27-32(3)4)51(81)59(89)65-38(22-23-47(62)79)52(82)63-30-48(80)71-24-14-19-44(71)61(91)73-26-13-18-43(73)56(86)69-49/h8-11,15-16,32-34,36,38-46,49-51,74-78,81H,7,12-14,17-31H2,1-6H3,(H2,62,79)(H,63,82)(H,64,84)(H,65,89)(H,66,88)(H,67,85)(H,68,87)(H,69,86)(H,70,83)/b37-8+/t33-,34+,36?,38-,39?,40?,41-,42-,43-,44-,45?,46?,49+,50-,51?/m0/s1
+CH$LINK: PUBCHEM CID:44254416
+CH$LINK: INCHIKEY OCPKVHKLLYWOOG-AZFXQPBMSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 88-1325
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.762 min
+MS$FOCUSED_ION: BASE_PEAK 1311.683
+MS$FOCUSED_ION: PRECURSOR_M/Z 1281.6736
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 27914257.13
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0a70-0971220000-a28aef6e67cb1ce30efe
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  98.0233 C2H2N4O- 1 98.0234 -1
+  99.0187 CHN5O- 1 99.0187 0.3
+  111.0549 C3H5N5- 1 111.055 -1.28
+  113.0706 C3H7N5- 1 113.0707 -0.61
+  115.0754 C4H9N3O- 1 115.0751 2.34
+  121.0392 C4H3N5- 1 121.0394 -1.81
+  123.055 C4H5N5- 1 123.055 -0.39
+  125.0342 C3H3N5O- 1 125.0343 -0.94
+  126.0187 C3H2N4O2- 1 126.0183 3
+  127.05 C3H5N5O- 1 127.05 0.35
+  128.0341 C3H4N4O2- 1 128.034 0.7
+  134.1881 C5H26O3- 1 134.1887 -4.89
+  139.0505 C4H5N5O- 1 139.05 4.11
+  145.0613 C5H9N2O3- 1 145.0619 -4.1
+  151.0509 C7H7N2O2- 1 151.0513 -2.59
+  153.0664 C7H9N2O2- 1 153.067 -3.53
+  155.0459 C6H7N2O3- 1 155.0462 -2.11
+  156.0773 C6H10N3O2- 1 156.0779 -3.43
+  167.046 C7H7N2O3- 1 167.0462 -1.4
+  178.0619 C8H8N3O2- 1 178.0622 -1.81
+  180.0774 C8H10N3O2- 1 180.0779 -2.42
+  184.0732 C7H10N3O3- 1 184.0728 2.11
+  185.0565 C7H9N2O4- 1 185.0568 -1.68
+  196.0722 C8H10N3O3- 2 196.0728 -2.86
+  200.0714 C12H10NO2- 1 200.0717 -1.52
+  209.1289 C11H17N2O2- 2 209.1296 -2.9
+  210.0879 C9H12N3O3- 2 210.0884 -2.35
+  215.0821 C12H11N2O2- 2 215.0826 -2.42
+  217.098 C12H13N2O2- 1 217.0983 -1.05
+  226.1561 C11H20N3O2- 1 226.1561 -0.03
+  252.1354 C12H18N3O3- 1 252.1354 0.07
+  264.0991 C12H14N3O4- 3 264.099 0.57
+  268.1668 C13H22N3O3- 3 268.1667 0.42
+  281.1257 C12H17N4O4- 3 281.1255 0.68
+  283.1772 C13H23N4O3- 4 283.1776 -1.34
+  298.152 C12H20N5O4- 5 298.1521 -0.19
+  300.135 C16H18N3O3- 6 300.1354 -1.19
+  309.1206 C13H17N4O5- 7 309.1204 0.57
+  323.2086 C16H27N4O3- 8 323.2089 -0.7
+  329.2068 C14H27N5O4- 7 329.2069 -0.29
+  331.1771 C2H29N5O13- 7 331.1767 1.14
+  357.156 C2H21N12O9- 9 357.156 -0.02
+  409.1726 C17H19N11O2- 12 409.1729 -0.75
+  436.1988 C23H26N5O4- 12 436.199 -0.52
+  442.2094 C21H22N12- 12 442.2096 -0.32
+  453.2259 C9H31N11O10- 10 453.2261 -0.31
+  471.2361 C23H31N6O5- 11 471.2361 -0.1
+  525.2565 C8H37N12O14- 14 525.2558 1.34
+  534.2671 C9H42N8O17- 14 534.2673 -0.39
+  639.3362 C29H47N6O10- 17 639.3359 0.38
+  734.4103 C34H60N3O14- 20 734.4081 3.07
+  1067.5783 C52H79N10O14- 11 1067.5783 0.02
+  1145.6329 C59H87N9O14- 6 1145.6378 -4.28
+  1163.6344 C61H85N11O12- 5 1163.6385 -3.53
+  1189.6269 C58H85N12O15- 3 1189.6263 0.55
+  1207.6377 C60H89N9O17- 2 1207.6382 -0.42
+  1219.6375 C59H87N12O16- 2 1219.6368 0.49
+PK$NUM_PEAK: 57
+PK$PEAK: m/z int. rel.int.
+  98.0233 61290.2 28
+  99.0187 78217.8 36
+  111.0549 106060.8 48
+  113.0706 128157.3 59
+  115.0754 51523.7 23
+  121.0392 81424.2 37
+  123.055 83902.8 38
+  125.0342 60503 27
+  126.0187 59349.8 27
+  127.05 558922.2 257
+  128.0341 319615.7 147
+  134.1881 114562.8 52
+  139.0505 223339.4 102
+  145.0613 106071.5 48
+  151.0509 76366 35
+  153.0664 359793.8 165
+  155.0459 292409 134
+  156.0773 104825.8 48
+  167.046 122797.6 56
+  178.0619 178134.9 82
+  180.0774 68965.9 31
+  184.0732 85123.3 39
+  185.0565 98393.1 45
+  196.0722 39948.8 18
+  200.0714 78294.2 36
+  209.1289 48063.3 22
+  210.0879 45831 21
+  215.0821 52081.5 23
+  217.098 65630.1 30
+  226.1561 1004535.5 462
+  252.1354 55216.3 25
+  264.0991 270616.8 124
+  268.1668 101471.8 46
+  281.1257 541071.1 249
+  283.1772 140258.1 64
+  298.152 59032.6 27
+  300.135 74949.3 34
+  309.1206 713866.2 328
+  323.2086 98430.1 45
+  329.2068 98875.2 45
+  331.1771 52461.9 24
+  357.156 191325.4 88
+  409.1726 399482.8 183
+  436.1988 402866.9 185
+  442.2094 378761.8 174
+  453.2259 346354.3 159
+  471.2361 283654.2 130
+  525.2565 1440306.8 663
+  534.2671 134062.4 61
+  639.3362 336636 154
+  734.4103 437686.4 201
+  1067.5783 359397 165
+  1145.6329 67693.9 31
+  1163.6344 96542.4 44
+  1189.6269 2169981.2 999
+  1207.6377 1920158 883
+  1219.6375 384105.8 176
+//
diff --git a/Eawag/MSBNK-MLU-ED035555.txt b/Eawag/MSBNK-MLU-ED035555.txt
new file mode 100644
index 0000000000..74043c60fc
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED035555.txt
@@ -0,0 +1,178 @@
+ACCESSION: MSBNK-MLU-ED035555
+RECORD_TITLE: Lyngbyazothrin B; LC-ESI-QFT; MS2; CE: 40%; R=17500; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], E. N. Zainuddin [dtc], S. Mundt [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 355
+CH$NAME: Lyngbyazothrin B
+CH$NAME: 3-[(3S,12S,19S,28S,31E,34S,37R,40S)-37-[(2S)-butan-2-yl]-31-ethylidene-15-hydroxy-28-[(1R)-1-hydroxyethyl]-34-(hydroxymethyl)-2,8,11,14,18,24,27,30,33,36,39-undecaoxo-25-(2-phenylethyl)-16-(2,4,5-trihydroxy-7-methyloctyl)-1,7,10,13,17,23,26,29,32,35,38-undecazatetracyclo[38.3.0.03,7.019,23]tritetracontan-12-yl]propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C61H94N12O18
+CH$EXACT_MASS: 1282.680904
+CH$SMILES: [H]C1=CC=C(CCC2NC([C@@H](NC(/C(NC([C@@H](NC([C@H](NC([C@@H]3CCCN3C([C@H]4N(C(CNC([C@@H](NC(C(O)C(CC(O[H])CC(O)C(O)CC(C)C)NC([C@@H]5CCCN5C2=O)=O)=O)CCC(N)=O)=O)=O)CCC4)=O)=O)[C@@H](C)CC)=O)CO)=O)=C\C)=O)[C@@H](C)O)=O)C=C1
+CH$IUPAC: InChI=1S/C61H94N12O18/c1-7-33(5)49-57(87)68-41(31-74)54(84)64-37(8-2)53(83)70-50(34(6)75)58(88)66-39(21-20-35-15-10-9-11-16-35)60(90)72-25-12-17-42(72)55(85)67-40(28-36(76)29-46(78)45(77)27-32(3)4)51(81)59(89)65-38(22-23-47(62)79)52(82)63-30-48(80)71-24-14-19-44(71)61(91)73-26-13-18-43(73)56(86)69-49/h8-11,15-16,32-34,36,38-46,49-51,74-78,81H,7,12-14,17-31H2,1-6H3,(H2,62,79)(H,63,82)(H,64,84)(H,65,89)(H,66,88)(H,67,85)(H,68,87)(H,69,86)(H,70,83)/b37-8+/t33-,34+,36?,38-,39?,40?,41-,42-,43-,44-,45?,46?,49+,50-,51?/m0/s1
+CH$LINK: PUBCHEM CID:44254416
+CH$LINK: INCHIKEY OCPKVHKLLYWOOG-AZFXQPBMSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 88-1325
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.762 min
+MS$FOCUSED_ION: BASE_PEAK 1311.683
+MS$FOCUSED_ION: PRECURSOR_M/Z 1281.6736
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 27914257.13
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-004i-0940000000-cf52b2df9093bfb1dd3a
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  98.0233 C2H2N4O- 1 98.0234 -1.15
+  99.0186 CHN5O- 1 99.0187 -0.93
+  99.0441 C3H5N3O- 1 99.0438 2.86
+  99.055 C2H5N5- 1 99.055 -0.48
+  101.0707 C2H7N5- 1 101.0707 -0.17
+  109.0393 C3H3N5- 1 109.0394 -0.49
+  110.0596 C4H6N4- 1 110.0598 -2.2
+  111.0188 C2HN5O- 1 111.0187 0.92
+  111.055 C3H5N5- 1 111.055 0.02
+  112.0391 C3H4N4O- 1 112.0391 0.33
+  113.0344 C2H3N5O- 1 113.0343 1.15
+  113.0707 C3H7N5- 1 113.0707 0.13
+  114.0548 C3H6N4O- 1 114.0547 0.46
+  115.0751 C4H9N3O- 1 115.0751 -0.31
+  121.0393 C4H3N5- 1 121.0394 -0.61
+  123.0551 C4H5N5- 1 123.055 0.41
+  124.0391 C4H4N4O- 1 124.0391 0.54
+  125.0343 C3H3N5O- 1 125.0343 0.03
+  125.0708 C4H7N5- 1 125.0707 0.94
+  126.0183 C3H2N4O2- 1 126.0183 -0.03
+  126.0546 C4H6N4O- 1 126.0547 -0.58
+  127.05 C3H5N5O- 1 127.05 0.59
+  128.0341 C3H4N4O2- 1 128.034 1.06
+  129.1022 C4H11N5- 1 129.102 1.28
+  138.0664 C4H6N6- 1 138.0659 3.53
+  139.0505 C4H5N5O- 1 139.05 4.11
+  140.0822 C4H8N6- 1 140.0816 4.11
+  144.0775 C5H10N3O2- 1 144.0779 -2.57
+  149.0716 C8H9N2O- 1 149.072 -2.85
+  151.0507 C7H7N2O2- 2 151.0513 -4.1
+  152.0825 C7H10N3O- 1 152.0829 -3.17
+  153.0665 C7H9N2O2- 1 153.067 -3.13
+  155.0458 C6H7N2O3- 1 155.0462 -2.7
+  155.082 C7H11N2O2- 2 155.0826 -4.04
+  156.0774 C6H10N3O2- 1 156.0779 -2.84
+  163.0508 C8H7N2O2- 1 163.0513 -3.17
+  167.046 C7H7N2O3- 1 167.0462 -1.5
+  168.0776 C7H10N3O2- 1 168.0779 -1.43
+  169.0979 C8H13N2O2- 1 169.0983 -1.89
+  170.0931 C7H12N3O2- 1 170.0935 -2.32
+  179.0458 C8H7N2O3- 1 179.0462 -2.13
+  181.1345 C10H17N2O- 1 181.1346 -0.71
+  184.0732 C7H10N3O3- 2 184.0728 2.61
+  191.1192 C11H15N2O- 1 191.119 1.21
+  193.0982 C10H13N2O2- 1 193.0983 -0.21
+  194.0571 C8H8N3O3- 1 194.0571 0.06
+  196.0726 C8H10N3O3- 1 196.0728 -0.75
+  200.0715 C12H10NO2- 1 200.0717 -1.22
+  208.1456 C11H18N3O- 1 208.1455 0.53
+  209.1295 C11H17N2O2- 1 209.1296 -0.2
+  211.0722 C9H11N2O4- 1 211.0724 -0.97
+  215.0824 C12H11N2O2- 1 215.0826 -0.93
+  217.0983 C12H13N2O2- 1 217.0983 0.21
+  226.1561 C11H20N3O2- 1 226.1561 -0.16
+  238.0833 C10H12N3O4- 1 238.0833 0.06
+  240.1716 C12H22N3O2- 2 240.1718 -0.83
+  248.1038 C12H14N3O3- 2 248.1041 -1.11
+  252.1348 C12H18N3O3- 2 252.1354 -2.05
+  257.1293 C15H17N2O2- 5 257.1296 -1.13
+  263.1156 C12H15N4O3- 3 263.115 2.38
+  264.0992 C12H14N3O4- 3 264.099 0.69
+  265.1664 C13H21N4O2- 4 265.167 -2.22
+  281.1256 C12H17N4O4- 3 281.1255 0.25
+  283.1775 C13H23N4O3- 5 283.1776 -0.05
+  309.1206 C13H17N4O5- 6 309.1204 0.67
+  312.135 C17H18N3O3- 6 312.1354 -1.18
+  442.2092 C21H22N12- 11 442.2096 -0.8
+  525.2561 C8H37N12O14- 13 525.2558 0.65
+PK$NUM_PEAK: 68
+PK$PEAK: m/z int. rel.int.
+  98.0233 101677.1 55
+  99.0186 138553.2 75
+  99.0441 53012 28
+  99.055 116475.9 63
+  101.0707 32100.6 17
+  109.0393 93441.6 50
+  110.0596 22446.5 12
+  111.0188 44038.7 23
+  111.055 441673.8 239
+  112.0391 76018.3 41
+  113.0344 69892.6 37
+  113.0707 619877.8 335
+  114.0548 131429.1 71
+  115.0751 135520.6 73
+  121.0393 237654.1 128
+  123.0551 215449.5 116
+  124.0391 81985.9 44
+  125.0343 225044.3 121
+  125.0708 32230.9 17
+  126.0183 86774.5 46
+  126.0546 75808.4 41
+  127.05 1422274.9 769
+  128.0341 331496.5 179
+  129.1022 113946.2 61
+  138.0664 108946.6 58
+  139.0505 512164.3 277
+  140.0822 89760.8 48
+  144.0775 42094.1 22
+  149.0716 23424 12
+  151.0507 118377 64
+  152.0825 55265.4 29
+  153.0665 1390843.1 752
+  155.0458 298295.7 161
+  155.082 136868.4 74
+  156.0774 181559.5 98
+  163.0508 144852.6 78
+  167.046 291339.5 157
+  168.0776 110413.6 59
+  169.0979 338323.5 183
+  170.0931 176068.1 95
+  179.0458 127270.5 68
+  181.1345 108785.2 58
+  184.0732 147960.3 80
+  191.1192 90304.8 48
+  193.0982 42498.9 23
+  194.0571 58216 31
+  196.0726 39531 21
+  200.0715 135670.2 73
+  208.1456 63894.3 34
+  209.1295 175930.3 95
+  211.0722 130474.8 70
+  215.0824 80629.5 43
+  217.0983 159275.2 86
+  226.1561 1845473.9 999
+  238.0833 35391.9 19
+  240.1716 85599.4 46
+  248.1038 27294.8 14
+  252.1348 70536.1 38
+  257.1293 171634.6 92
+  263.1156 79138.5 42
+  264.0992 242541.5 131
+  265.1664 44498.7 24
+  281.1256 566747.8 306
+  283.1775 200972 108
+  309.1206 445332.4 241
+  312.135 40985.7 22
+  442.2092 100053.3 54
+  525.2561 326341.9 176
+//
diff --git a/Eawag/MSBNK-MLU-ED035556.txt b/Eawag/MSBNK-MLU-ED035556.txt
new file mode 100644
index 0000000000..5a862e2cb7
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED035556.txt
@@ -0,0 +1,160 @@
+ACCESSION: MSBNK-MLU-ED035556
+RECORD_TITLE: Lyngbyazothrin B; LC-ESI-QFT; MS2; CE: 50%; R=17500; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], E. N. Zainuddin [dtc], S. Mundt [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 355
+CH$NAME: Lyngbyazothrin B
+CH$NAME: 3-[(3S,12S,19S,28S,31E,34S,37R,40S)-37-[(2S)-butan-2-yl]-31-ethylidene-15-hydroxy-28-[(1R)-1-hydroxyethyl]-34-(hydroxymethyl)-2,8,11,14,18,24,27,30,33,36,39-undecaoxo-25-(2-phenylethyl)-16-(2,4,5-trihydroxy-7-methyloctyl)-1,7,10,13,17,23,26,29,32,35,38-undecazatetracyclo[38.3.0.03,7.019,23]tritetracontan-12-yl]propanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C61H94N12O18
+CH$EXACT_MASS: 1282.680904
+CH$SMILES: [H]C1=CC=C(CCC2NC([C@@H](NC(/C(NC([C@@H](NC([C@H](NC([C@@H]3CCCN3C([C@H]4N(C(CNC([C@@H](NC(C(O)C(CC(O[H])CC(O)C(O)CC(C)C)NC([C@@H]5CCCN5C2=O)=O)=O)CCC(N)=O)=O)=O)CCC4)=O)=O)[C@@H](C)CC)=O)CO)=O)=C\C)=O)[C@@H](C)O)=O)C=C1
+CH$IUPAC: InChI=1S/C61H94N12O18/c1-7-33(5)49-57(87)68-41(31-74)54(84)64-37(8-2)53(83)70-50(34(6)75)58(88)66-39(21-20-35-15-10-9-11-16-35)60(90)72-25-12-17-42(72)55(85)67-40(28-36(76)29-46(78)45(77)27-32(3)4)51(81)59(89)65-38(22-23-47(62)79)52(82)63-30-48(80)71-24-14-19-44(71)61(91)73-26-13-18-43(73)56(86)69-49/h8-11,15-16,32-34,36,38-46,49-51,74-78,81H,7,12-14,17-31H2,1-6H3,(H2,62,79)(H,63,82)(H,64,84)(H,65,89)(H,66,88)(H,67,85)(H,68,87)(H,69,86)(H,70,83)/b37-8+/t33-,34+,36?,38-,39?,40?,41-,42-,43-,44-,45?,46?,49+,50-,51?/m0/s1
+CH$LINK: PUBCHEM CID:44254416
+CH$LINK: INCHIKEY OCPKVHKLLYWOOG-AZFXQPBMSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 88-1325
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.762 min
+MS$FOCUSED_ION: BASE_PEAK 1311.683
+MS$FOCUSED_ION: PRECURSOR_M/Z 1281.6736
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 27914257.13
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0fb9-0920000000-5eab54b3ca1b96e234b3
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  94.0286 C3H2N4- 1 94.0285 1.38
+  95.0237 C2HN5- 1 95.0237 -0.53
+  96.044 C3H4N4- 1 96.0441 -1.46
+  98.0234 C2H2N4O- 1 98.0234 0.25
+  99.0186 CHN5O- 1 99.0187 -0.32
+  99.0549 C2H5N5- 1 99.055 -1.25
+  99.0803 C4H9N3- 1 99.0802 0.92
+  100.0391 C2H4N4O- 1 100.0391 0.64
+  110.0233 C3H2N4O- 1 110.0234 -1.02
+  111.0186 C2HN5O- 1 111.0187 -0.73
+  113.0343 C2H3N5O- 1 113.0343 -0.06
+  113.0707 C3H7N5- 1 113.0707 -0.07
+  115.0751 C4H9N3O- 1 115.0751 -0.24
+  122.0598 C5H6N4- 1 122.0598 0.25
+  124.0264 C3H2N5O- 1 124.0265 -0.97
+  124.0751 C5H8N4- 1 124.0754 -2.54
+  126.0549 C4H6N4O- 1 126.0547 1.72
+  127.05 C3H5N5O- 1 127.05 0.53
+  128.0341 C3H4N4O2- 1 128.034 1.18
+  129.0912 C5H11N3O- 1 129.0908 3.07
+  129.1021 C4H11N5- 1 129.102 0.93
+  135.0553 C5H5N5- 1 135.055 2.16
+  137.0345 C4H3N5O- 1 137.0343 1.6
+  137.0711 C5H7N5- 1 137.0707 3.33
+  138.0665 C4H6N6- 1 138.0659 3.75
+  139.0505 C4H5N5O- 1 139.05 3.78
+  139.0866 C5H9N5- 1 139.0863 1.86
+  140.0822 C4H8N6- 1 140.0816 4.11
+  141.0662 C4H7N5O- 1 141.0656 4.21
+  147.0559 C8H7N2O- 1 147.0564 -3.47
+  149.0716 C8H9N2O- 1 149.072 -3.26
+  151.0869 C8H11N2O- 2 151.0877 -4.96
+  152.0824 C7H10N3O- 1 152.0829 -3.68
+  153.0665 C7H9N2O2- 1 153.067 -3.13
+  163.0508 C8H7N2O2- 1 163.0513 -2.98
+  165.103 C9H13N2O- 1 165.1033 -1.87
+  167.0458 C7H7N2O3- 1 167.0462 -2.32
+  168.0777 C7H10N3O2- 1 168.0779 -1.07
+  169.0979 C8H13N2O2- 1 169.0983 -2.25
+  170.0931 C7H12N3O2- 1 170.0935 -2.14
+  171.1139 C8H15N2O2- 1 171.1139 -0.01
+  184.0734 C7H10N3O3- 2 184.0728 3.6
+  185.0564 C7H9N2O4- 1 185.0568 -1.93
+  195.114 C10H15N2O2- 1 195.1139 0.29
+  199.0873 C12H11N2O- 2 199.0877 -2.07
+  209.1295 C11H17N2O2- 1 209.1296 -0.13
+  210.088 C9H12N3O3- 2 210.0884 -1.77
+  211.0721 C9H11N2O4- 2 211.0724 -1.69
+  224.1403 C11H18N3O2- 1 224.1405 -0.79
+  226.1561 C11H20N3O2- 1 226.1561 -0.09
+  238.0833 C10H12N3O4- 1 238.0833 -0.26
+  240.1716 C12H22N3O2- 1 240.1718 -0.57
+  250.1201 C12H16N3O3- 2 250.1197 1.59
+  252.1358 C12H18N3O3- 2 252.1354 1.71
+  262.1929 C15H24N3O- 5 262.1925 1.58
+  263.1147 C12H15N4O3- 3 263.115 -1.1
+  274.1561 C15H20N3O2- 6 274.1561 0.1
+  281.1256 C12H17N4O4- 3 281.1255 0.36
+  296.1397 C17H18N3O2- 8 296.1405 -2.5
+PK$NUM_PEAK: 59
+PK$PEAK: m/z int. rel.int.
+  94.0286 34790.3 16
+  95.0237 34493.5 15
+  96.044 52956.7 24
+  98.0234 133252.8 61
+  99.0186 230349.1 106
+  99.0549 145667.5 67
+  99.0803 23612.3 10
+  100.0391 80206.5 37
+  110.0233 32627.3 15
+  111.0186 87860.2 40
+  113.0343 120552.4 55
+  113.0707 1145426.2 530
+  115.0751 148240.1 68
+  122.0598 36321.9 16
+  124.0264 21591 9
+  124.0751 52438.3 24
+  126.0549 110455.8 51
+  127.05 1445991.2 669
+  128.0341 237882.4 110
+  129.0912 41854.1 19
+  129.1021 228985.8 106
+  135.0553 114061.1 52
+  137.0345 39067.6 18
+  137.0711 69864.6 32
+  138.0665 194854.6 90
+  139.0505 591906.7 274
+  139.0866 65395.1 30
+  140.0822 113526.6 52
+  141.0662 125762.6 58
+  147.0559 30414 14
+  149.0716 49938.2 23
+  151.0869 58325.2 27
+  152.0824 95770.8 44
+  153.0665 2157197.8 999
+  163.0508 181842.9 84
+  165.103 22954.3 10
+  167.0458 204936.3 94
+  168.0777 157081.7 72
+  169.0979 387793.6 179
+  170.0931 203628.1 94
+  171.1139 34433.7 15
+  184.0734 83912.2 38
+  185.0564 35697.3 16
+  195.114 32516.4 15
+  199.0873 34019.4 15
+  209.1295 217230.9 100
+  210.088 124862.6 57
+  211.0721 67174.6 31
+  224.1403 39521.5 18
+  226.1561 1325267.1 613
+  238.0833 42993.2 19
+  240.1716 81222 37
+  250.1201 48429.9 22
+  252.1358 69974 32
+  262.1929 68743.1 31
+  263.1147 66327.1 30
+  274.1561 174767.1 80
+  281.1256 317720.6 147
+  296.1397 27707.8 12
+//
diff --git a/Eawag/MSBNK-MLU-ED046401.txt b/Eawag/MSBNK-MLU-ED046401.txt
new file mode 100644
index 0000000000..6f8aee2060
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED046401.txt
@@ -0,0 +1,52 @@
+ACCESSION: MSBNK-MLU-ED046401
+RECORD_TITLE: Scyptolin B; LC-ESI-QFT; MS2; CE: 15%; R=17500; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Enke [dtc], H. Enke [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 464
+CH$NAME: Scyptolin B
+CH$NAME: [3-[[(2R)-2-(butanoylamino)propanoyl]amino]-4-[[(2S,5S,8R,11R,12R,15S,18S,21S)-5-[(3-chloro-4-hydroxyphenyl)methyl]-21-hydroxy-2-[(1R)-1-hydroxyethyl]-4,11-dimethyl-15-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-4-oxobutan-2-yl] (2S)-2-(butanoylamino)propanoate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H80ClN9O16
+CH$EXACT_MASS: 1121.541155
+CH$SMILES: CCCC(N[C@@H](C(NC(C(N[C@@H]1[C@@H](C)OC([C@@H](C(C)C)NC([C@H](CC2=CC(Cl)=C(O)C=C2)N(C)C([C@H]([C@H](O)C)N3[C@@H](O)CC[C@H](NC([C@H](CC(C)C)NC1=O)=O)C3=O)=O)=O)=O)=O)C(OC([C@@H](NC(CCC)=O)C)=O)C)=O)C)=O
+CH$IUPAC: InChI=1S/C52H80ClN9O16/c1-13-15-37(65)54-26(7)44(68)59-42(29(10)77-51(75)27(8)55-38(66)16-14-2)48(72)60-41-30(11)78-52(76)40(25(5)6)58-46(70)35(23-31-17-19-36(64)32(53)22-31)61(12)50(74)43(28(9)63)62-39(67)20-18-33(49(62)73)56-45(69)34(21-24(3)4)57-47(41)71/h17,19,22,24-30,33-35,39-43,63-64,67H,13-16,18,20-21,23H2,1-12H3,(H,54,65)(H,55,66)(H,56,69)(H,57,71)(H,58,70)(H,59,68)(H,60,72)/t26-,27+,28-,29?,30-,33+,34+,35+,39+,40-,41-,42?,43+/m1/s1
+CH$LINK: PUBCHEM CID:155802153
+CH$LINK: INCHIKEY KEOLGCFLKHISHR-NFSIXUBXSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 77-1165
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.154 min
+MS$FOCUSED_ION: BASE_PEAK 1144.5303
+MS$FOCUSED_ION: PRECURSOR_M/Z 1122.5484
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 2307138.46
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00dj-0001300906-584cd2a48fd144aafccb
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  384.2133 C15H33ClN4O5+ 15 384.2134 -0.25
+  467.2505 C19H38ClN5O6+ 17 467.2505 0.02
+  485.2599 C33H38ClO+ 15 485.2606 -1.46
+  721.3328 C52H41N4+ 23 721.3326 0.27
+  945.4482 C45H66ClN8O12+ 13 945.4483 -0.17
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  384.2133 57549.4 180
+  467.2505 112584.3 352
+  485.2599 15587.6 48
+  721.3328 318902.2 999
+  945.4482 227904.4 713
+//
diff --git a/Eawag/MSBNK-MLU-ED046402.txt b/Eawag/MSBNK-MLU-ED046402.txt
new file mode 100644
index 0000000000..519448a9db
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED046402.txt
@@ -0,0 +1,52 @@
+ACCESSION: MSBNK-MLU-ED046402
+RECORD_TITLE: Scyptolin B; LC-ESI-QFT; MS2; CE: 20%; R=17500; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Enke [dtc], H. Enke [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 464
+CH$NAME: Scyptolin B
+CH$NAME: [3-[[(2R)-2-(butanoylamino)propanoyl]amino]-4-[[(2S,5S,8R,11R,12R,15S,18S,21S)-5-[(3-chloro-4-hydroxyphenyl)methyl]-21-hydroxy-2-[(1R)-1-hydroxyethyl]-4,11-dimethyl-15-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-4-oxobutan-2-yl] (2S)-2-(butanoylamino)propanoate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H80ClN9O16
+CH$EXACT_MASS: 1121.541155
+CH$SMILES: CCCC(N[C@@H](C(NC(C(N[C@@H]1[C@@H](C)OC([C@@H](C(C)C)NC([C@H](CC2=CC(Cl)=C(O)C=C2)N(C)C([C@H]([C@H](O)C)N3[C@@H](O)CC[C@H](NC([C@H](CC(C)C)NC1=O)=O)C3=O)=O)=O)=O)=O)C(OC([C@@H](NC(CCC)=O)C)=O)C)=O)C)=O
+CH$IUPAC: InChI=1S/C52H80ClN9O16/c1-13-15-37(65)54-26(7)44(68)59-42(29(10)77-51(75)27(8)55-38(66)16-14-2)48(72)60-41-30(11)78-52(76)40(25(5)6)58-46(70)35(23-31-17-19-36(64)32(53)22-31)61(12)50(74)43(28(9)63)62-39(67)20-18-33(49(62)73)56-45(69)34(21-24(3)4)57-47(41)71/h17,19,22,24-30,33-35,39-43,63-64,67H,13-16,18,20-21,23H2,1-12H3,(H,54,65)(H,55,66)(H,56,69)(H,57,71)(H,58,70)(H,59,68)(H,60,72)/t26-,27+,28-,29?,30-,33+,34+,35+,39+,40-,41-,42?,43+/m1/s1
+CH$LINK: PUBCHEM CID:155802153
+CH$LINK: INCHIKEY KEOLGCFLKHISHR-NFSIXUBXSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 77-1165
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.154 min
+MS$FOCUSED_ION: BASE_PEAK 1144.5303
+MS$FOCUSED_ION: PRECURSOR_M/Z 1122.5484
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 2307138.46
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0avi-0019500300-40fb7d57d93a42581aae
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  215.1392 C10H19N2O3+ 3 215.139 0.8
+  308.1606 C15H22N3O4+ 10 308.1605 0.26
+  421.2446 C6H39N5O15+ 17 421.2437 2.17
+  467.2504 C19H38ClN5O6+ 17 467.2505 -0.31
+  721.3328 C52H41N4+ 23 721.3326 0.27
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  215.1392 77284.9 170
+  308.1606 452027.2 999
+  421.2446 68783.5 152
+  467.2504 221737.6 490
+  721.3328 161544.8 357
+//
diff --git a/Eawag/MSBNK-MLU-ED046403.txt b/Eawag/MSBNK-MLU-ED046403.txt
new file mode 100644
index 0000000000..6ec80a4766
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED046403.txt
@@ -0,0 +1,68 @@
+ACCESSION: MSBNK-MLU-ED046403
+RECORD_TITLE: Scyptolin B; LC-ESI-QFT; MS2; CE: 25%; R=17500; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Enke [dtc], H. Enke [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 464
+CH$NAME: Scyptolin B
+CH$NAME: [3-[[(2R)-2-(butanoylamino)propanoyl]amino]-4-[[(2S,5S,8R,11R,12R,15S,18S,21S)-5-[(3-chloro-4-hydroxyphenyl)methyl]-21-hydroxy-2-[(1R)-1-hydroxyethyl]-4,11-dimethyl-15-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-4-oxobutan-2-yl] (2S)-2-(butanoylamino)propanoate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H80ClN9O16
+CH$EXACT_MASS: 1121.541155
+CH$SMILES: CCCC(N[C@@H](C(NC(C(N[C@@H]1[C@@H](C)OC([C@@H](C(C)C)NC([C@H](CC2=CC(Cl)=C(O)C=C2)N(C)C([C@H]([C@H](O)C)N3[C@@H](O)CC[C@H](NC([C@H](CC(C)C)NC1=O)=O)C3=O)=O)=O)=O)=O)C(OC([C@@H](NC(CCC)=O)C)=O)C)=O)C)=O
+CH$IUPAC: InChI=1S/C52H80ClN9O16/c1-13-15-37(65)54-26(7)44(68)59-42(29(10)77-51(75)27(8)55-38(66)16-14-2)48(72)60-41-30(11)78-52(76)40(25(5)6)58-46(70)35(23-31-17-19-36(64)32(53)22-31)61(12)50(74)43(28(9)63)62-39(67)20-18-33(49(62)73)56-45(69)34(21-24(3)4)57-47(41)71/h17,19,22,24-30,33-35,39-43,63-64,67H,13-16,18,20-21,23H2,1-12H3,(H,54,65)(H,55,66)(H,56,69)(H,57,71)(H,58,70)(H,59,68)(H,60,72)/t26-,27+,28-,29?,30-,33+,34+,35+,39+,40-,41-,42?,43+/m1/s1
+CH$LINK: PUBCHEM CID:155802153
+CH$LINK: INCHIKEY KEOLGCFLKHISHR-NFSIXUBXSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 77-1165
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.154 min
+MS$FOCUSED_ION: BASE_PEAK 1144.5303
+MS$FOCUSED_ION: PRECURSOR_M/Z 1122.5484
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 2307138.46
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0a4i-0309200000-679a1853209f16bb1a14
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  114.0912 C6H12NO+ 1 114.0913 -1.45
+  142.0863 C7H12NO2+ 2 142.0863 0.15
+  167.0813 C8H11N2O2+ 3 167.0815 -1.06
+  184.0523 C9H11ClNO+ 2 184.0524 -0.12
+  197.0927 C6H16ClN3O2+ 2 197.0926 0.48
+  197.1288 C7H20ClN3O+ 2 197.1289 -0.73
+  225.1234 C11H17N2O3+ 3 225.1234 0.29
+  308.1606 C15H22N3O4+ 10 308.1605 0.26
+  326.1712 C15H24N3O5+ 12 326.171 0.62
+  390.1223 C23H14N6O+ 17 390.1224 -0.08
+  393.2497 C20H33N4O4+ 16 393.2496 0.27
+  408.1322 C8H22N7O12+ 15 408.1321 0.2
+  421.2439 C6H39N5O15+ 17 421.2437 0.35
+PK$NUM_PEAK: 13
+PK$PEAK: m/z int. rel.int.
+  114.0912 13804.1 22
+  142.0863 75035.6 119
+  167.0813 67412.6 107
+  184.0523 50843.3 81
+  197.0927 29418.4 46
+  197.1288 34775.6 55
+  225.1234 17107.9 27
+  308.1606 625756.4 999
+  326.1712 69907.8 111
+  390.1223 58247.6 92
+  393.2497 37280.1 59
+  408.1322 165445.4 264
+  421.2439 65749.2 104
+//
diff --git a/Eawag/MSBNK-MLU-ED046404.txt b/Eawag/MSBNK-MLU-ED046404.txt
new file mode 100644
index 0000000000..f18bdb33cf
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED046404.txt
@@ -0,0 +1,74 @@
+ACCESSION: MSBNK-MLU-ED046404
+RECORD_TITLE: Scyptolin B; LC-ESI-QFT; MS2; CE: 30%; R=17500; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Enke [dtc], H. Enke [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 464
+CH$NAME: Scyptolin B
+CH$NAME: [3-[[(2R)-2-(butanoylamino)propanoyl]amino]-4-[[(2S,5S,8R,11R,12R,15S,18S,21S)-5-[(3-chloro-4-hydroxyphenyl)methyl]-21-hydroxy-2-[(1R)-1-hydroxyethyl]-4,11-dimethyl-15-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-4-oxobutan-2-yl] (2S)-2-(butanoylamino)propanoate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H80ClN9O16
+CH$EXACT_MASS: 1121.541155
+CH$SMILES: CCCC(N[C@@H](C(NC(C(N[C@@H]1[C@@H](C)OC([C@@H](C(C)C)NC([C@H](CC2=CC(Cl)=C(O)C=C2)N(C)C([C@H]([C@H](O)C)N3[C@@H](O)CC[C@H](NC([C@H](CC(C)C)NC1=O)=O)C3=O)=O)=O)=O)=O)C(OC([C@@H](NC(CCC)=O)C)=O)C)=O)C)=O
+CH$IUPAC: InChI=1S/C52H80ClN9O16/c1-13-15-37(65)54-26(7)44(68)59-42(29(10)77-51(75)27(8)55-38(66)16-14-2)48(72)60-41-30(11)78-52(76)40(25(5)6)58-46(70)35(23-31-17-19-36(64)32(53)22-31)61(12)50(74)43(28(9)63)62-39(67)20-18-33(49(62)73)56-45(69)34(21-24(3)4)57-47(41)71/h17,19,22,24-30,33-35,39-43,63-64,67H,13-16,18,20-21,23H2,1-12H3,(H,54,65)(H,55,66)(H,56,69)(H,57,71)(H,58,70)(H,59,68)(H,60,72)/t26-,27+,28-,29?,30-,33+,34+,35+,39+,40-,41-,42?,43+/m1/s1
+CH$LINK: PUBCHEM CID:155802153
+CH$LINK: INCHIKEY KEOLGCFLKHISHR-NFSIXUBXSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 77-1165
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.154 min
+MS$FOCUSED_ION: BASE_PEAK 1144.5303
+MS$FOCUSED_ION: PRECURSOR_M/Z 1122.5484
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 2307138.46
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0a4i-0926100000-d73d2c4cce5416b829da
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  114.0913 C6H12NO+ 2 114.0913 -0.72
+  142.0862 C7H12NO2+ 2 142.0863 -0.18
+  167.0814 C8H11N2O2+ 3 167.0815 -0.69
+  179.0816 C9H11N2O2+ 2 179.0815 0.79
+  184.0523 C9H11ClNO+ 2 184.0524 -0.2
+  197.0923 C6H16ClN3O2+ 2 197.0926 -1.15
+  197.1285 C10H17N2O2+ 3 197.1285 0.12
+  215.1391 C10H19N2O3+ 3 215.139 0.58
+  225.1233 C11H17N2O3+ 3 225.1234 -0.32
+  252.1707 C13H22N3O2+ 5 252.1707 0.05
+  265.1545 C14H21N2O3+ 6 265.1547 -0.51
+  280.1659 C14H22N3O3+ 7 280.1656 1.08
+  308.1605 C15H22N3O4+ 10 308.1605 0.06
+  326.171 C15H24N3O5+ 10 326.171 -0.13
+  408.1323 C8H22N7O12+ 16 408.1321 0.43
+  476.1943 C10H33ClN8O11+ 19 476.1952 -1.84
+PK$NUM_PEAK: 16
+PK$PEAK: m/z int. rel.int.
+  114.0913 38593.4 77
+  142.0862 239278.1 482
+  167.0814 191326.3 385
+  179.0816 38694.6 77
+  184.0523 133577.2 269
+  197.0923 74561.5 150
+  197.1285 97429.9 196
+  215.1391 78848.6 158
+  225.1233 44960.6 90
+  252.1707 39766.8 80
+  265.1545 14163.2 28
+  280.1659 20988.6 42
+  308.1605 495758.4 999
+  326.171 48313.7 97
+  408.1323 124049.3 249
+  476.1943 30182.9 60
+//
diff --git a/Eawag/MSBNK-MLU-ED046405.txt b/Eawag/MSBNK-MLU-ED046405.txt
new file mode 100644
index 0000000000..cbaf77dadb
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED046405.txt
@@ -0,0 +1,84 @@
+ACCESSION: MSBNK-MLU-ED046405
+RECORD_TITLE: Scyptolin B; LC-ESI-QFT; MS2; CE: 40%; R=17500; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Enke [dtc], H. Enke [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 464
+CH$NAME: Scyptolin B
+CH$NAME: [3-[[(2R)-2-(butanoylamino)propanoyl]amino]-4-[[(2S,5S,8R,11R,12R,15S,18S,21S)-5-[(3-chloro-4-hydroxyphenyl)methyl]-21-hydroxy-2-[(1R)-1-hydroxyethyl]-4,11-dimethyl-15-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-4-oxobutan-2-yl] (2S)-2-(butanoylamino)propanoate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H80ClN9O16
+CH$EXACT_MASS: 1121.541155
+CH$SMILES: CCCC(N[C@@H](C(NC(C(N[C@@H]1[C@@H](C)OC([C@@H](C(C)C)NC([C@H](CC2=CC(Cl)=C(O)C=C2)N(C)C([C@H]([C@H](O)C)N3[C@@H](O)CC[C@H](NC([C@H](CC(C)C)NC1=O)=O)C3=O)=O)=O)=O)=O)C(OC([C@@H](NC(CCC)=O)C)=O)C)=O)C)=O
+CH$IUPAC: InChI=1S/C52H80ClN9O16/c1-13-15-37(65)54-26(7)44(68)59-42(29(10)77-51(75)27(8)55-38(66)16-14-2)48(72)60-41-30(11)78-52(76)40(25(5)6)58-46(70)35(23-31-17-19-36(64)32(53)22-31)61(12)50(74)43(28(9)63)62-39(67)20-18-33(49(62)73)56-45(69)34(21-24(3)4)57-47(41)71/h17,19,22,24-30,33-35,39-43,63-64,67H,13-16,18,20-21,23H2,1-12H3,(H,54,65)(H,55,66)(H,56,69)(H,57,71)(H,58,70)(H,59,68)(H,60,72)/t26-,27+,28-,29?,30-,33+,34+,35+,39+,40-,41-,42?,43+/m1/s1
+CH$LINK: PUBCHEM CID:155802153
+CH$LINK: INCHIKEY KEOLGCFLKHISHR-NFSIXUBXSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 77-1165
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.154 min
+MS$FOCUSED_ION: BASE_PEAK 1144.5303
+MS$FOCUSED_ION: PRECURSOR_M/Z 1122.5484
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 2307138.46
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-02u3-0901000000-6ab68f97c9e25e6e45f1
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  86.0965 C5H12N+ 1 86.0964 0.86
+  110.06 C6H8NO+ 2 110.06 -0.51
+  114.0914 C6H12NO+ 2 114.0913 0.15
+  126.0914 C7H12NO+ 2 126.0913 0.67
+  127.0866 C6H11N2O+ 2 127.0866 0.11
+  139.0866 C7H11N2O+ 2 139.0866 0.31
+  141.1018 C7H13N2O+ 1 141.1022 -3.14
+  142.0862 C7H12NO2+ 2 142.0863 -0.18
+  151.0867 C8H11N2O+ 2 151.0866 0.57
+  153.0657 C7H9N2O2+ 3 153.0659 -0.7
+  155.0816 C7H11N2O2+ 2 155.0815 0.88
+  167.0814 C8H11N2O2+ 3 167.0815 -0.33
+  169.0971 C8H13N2O2+ 2 169.0972 -0.06
+  179.0813 C9H11N2O2+ 3 179.0815 -1.17
+  184.0524 C9H11ClNO+ 2 184.0524 0.21
+  195.0762 C9H11N2O3+ 3 195.0764 -0.99
+  197.1286 C10H17N2O2+ 3 197.1285 0.58
+  225.123 C11H17N2O3+ 4 225.1234 -1.74
+  280.1658 C14H22N3O3+ 7 280.1656 0.76
+  308.1603 C15H22N3O4+ 10 308.1605 -0.43
+  393.2496 C20H33N4O4+ 16 393.2496 0.04
+PK$NUM_PEAK: 21
+PK$PEAK: m/z int. rel.int.
+  86.0965 19776.2 87
+  110.06 44130 194
+  114.0914 128843.4 567
+  126.0914 14380.1 63
+  127.0866 24566.9 108
+  139.0866 25925.9 114
+  141.1018 22497 99
+  142.0862 226967.5 999
+  151.0867 37801.8 166
+  153.0657 25239.3 111
+  155.0816 17557.2 77
+  167.0814 145121.2 638
+  169.0971 97844 430
+  179.0813 66690.8 293
+  184.0524 204519.7 900
+  195.0762 10299.1 45
+  197.1286 97006.1 426
+  225.123 50418 221
+  280.1658 24224.9 106
+  308.1603 109538.7 482
+  393.2496 27163.2 119
+//
diff --git a/Eawag/MSBNK-MLU-ED046406.txt b/Eawag/MSBNK-MLU-ED046406.txt
new file mode 100644
index 0000000000..0c9d17a5e0
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED046406.txt
@@ -0,0 +1,86 @@
+ACCESSION: MSBNK-MLU-ED046406
+RECORD_TITLE: Scyptolin B; LC-ESI-QFT; MS2; CE: 50%; R=17500; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Enke [dtc], H. Enke [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 464
+CH$NAME: Scyptolin B
+CH$NAME: [3-[[(2R)-2-(butanoylamino)propanoyl]amino]-4-[[(2S,5S,8R,11R,12R,15S,18S,21S)-5-[(3-chloro-4-hydroxyphenyl)methyl]-21-hydroxy-2-[(1R)-1-hydroxyethyl]-4,11-dimethyl-15-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-4-oxobutan-2-yl] (2S)-2-(butanoylamino)propanoate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H80ClN9O16
+CH$EXACT_MASS: 1121.541155
+CH$SMILES: CCCC(N[C@@H](C(NC(C(N[C@@H]1[C@@H](C)OC([C@@H](C(C)C)NC([C@H](CC2=CC(Cl)=C(O)C=C2)N(C)C([C@H]([C@H](O)C)N3[C@@H](O)CC[C@H](NC([C@H](CC(C)C)NC1=O)=O)C3=O)=O)=O)=O)=O)C(OC([C@@H](NC(CCC)=O)C)=O)C)=O)C)=O
+CH$IUPAC: InChI=1S/C52H80ClN9O16/c1-13-15-37(65)54-26(7)44(68)59-42(29(10)77-51(75)27(8)55-38(66)16-14-2)48(72)60-41-30(11)78-52(76)40(25(5)6)58-46(70)35(23-31-17-19-36(64)32(53)22-31)61(12)50(74)43(28(9)63)62-39(67)20-18-33(49(62)73)56-45(69)34(21-24(3)4)57-47(41)71/h17,19,22,24-30,33-35,39-43,63-64,67H,13-16,18,20-21,23H2,1-12H3,(H,54,65)(H,55,66)(H,56,69)(H,57,71)(H,58,70)(H,59,68)(H,60,72)/t26-,27+,28-,29?,30-,33+,34+,35+,39+,40-,41-,42?,43+/m1/s1
+CH$LINK: PUBCHEM CID:155802153
+CH$LINK: INCHIKEY KEOLGCFLKHISHR-NFSIXUBXSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 77-1165
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.154 min
+MS$FOCUSED_ION: BASE_PEAK 1144.5303
+MS$FOCUSED_ION: PRECURSOR_M/Z 1122.5484
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 2307138.46
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03yi-0900000000-b5738b97629617188c03
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  86.0963 C5H12N+ 1 86.0964 -1.45
+  96.081 C6H10N+ 1 96.0808 1.93
+  110.0601 C6H8NO+ 2 110.06 0.67
+  114.0914 C6H12NO+ 2 114.0913 0.49
+  123.0917 C7H11N2+ 1 123.0917 0.55
+  124.0755 C7H10NO+ 1 124.0757 -1.71
+  126.0913 C7H12NO+ 2 126.0913 -0.54
+  127.0865 C6H11N2O+ 2 127.0866 -0.97
+  139.0864 C7H11N2O+ 1 139.0866 -1.66
+  141.102 C7H13N2O+ 2 141.1022 -1.52
+  142.0864 C7H12NO2+ 2 142.0863 1.22
+  151.0866 C8H11N2O+ 2 151.0866 -0.23
+  155.0816 C7H11N2O2+ 2 155.0815 0.68
+  167.0815 C8H11N2O2+ 2 167.0815 0.22
+  169.0969 C8H13N2O2+ 3 169.0972 -1.23
+  179.0816 C9H11N2O2+ 2 179.0815 0.45
+  184.0524 C9H11ClNO+ 2 184.0524 0.05
+  197.0926 C6H16ClN3O2+ 2 197.0926 0.17
+  197.1282 C10H17N2O2+ 3 197.1285 -1.27
+  225.1232 C11H17N2O3+ 3 225.1234 -0.73
+  250.0628 C13H13ClNO2+ 6 250.0629 -0.43
+  252.1706 C13H22N3O2+ 5 252.1707 -0.13
+PK$NUM_PEAK: 22
+PK$PEAK: m/z int. rel.int.
+  86.0963 32499.8 163
+  96.081 18483.4 93
+  110.0601 84237.9 424
+  114.0914 122297 616
+  123.0917 18221.6 91
+  124.0755 31062.3 156
+  126.0913 17063.7 86
+  127.0865 30948.5 155
+  139.0864 68097.7 343
+  141.102 34804.7 175
+  142.0864 76157.4 383
+  151.0866 67623.3 340
+  155.0816 25540.7 128
+  167.0815 79578.5 401
+  169.0969 103058.4 519
+  179.0816 58997.6 297
+  184.0524 198199.7 999
+  197.0926 18377.6 92
+  197.1282 57932.3 292
+  225.1232 32899.1 165
+  250.0628 18566.8 93
+  252.1706 38362.7 193
+//
diff --git a/Eawag/MSBNK-MLU-ED046407.txt b/Eawag/MSBNK-MLU-ED046407.txt
new file mode 100644
index 0000000000..4107667325
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED046407.txt
@@ -0,0 +1,84 @@
+ACCESSION: MSBNK-MLU-ED046407
+RECORD_TITLE: Scyptolin B; LC-ESI-QFT; MS2; CE: 60%; R=17500; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Enke [dtc], H. Enke [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 464
+CH$NAME: Scyptolin B
+CH$NAME: [3-[[(2R)-2-(butanoylamino)propanoyl]amino]-4-[[(2S,5S,8R,11R,12R,15S,18S,21S)-5-[(3-chloro-4-hydroxyphenyl)methyl]-21-hydroxy-2-[(1R)-1-hydroxyethyl]-4,11-dimethyl-15-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-4-oxobutan-2-yl] (2S)-2-(butanoylamino)propanoate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H80ClN9O16
+CH$EXACT_MASS: 1121.541155
+CH$SMILES: CCCC(N[C@@H](C(NC(C(N[C@@H]1[C@@H](C)OC([C@@H](C(C)C)NC([C@H](CC2=CC(Cl)=C(O)C=C2)N(C)C([C@H]([C@H](O)C)N3[C@@H](O)CC[C@H](NC([C@H](CC(C)C)NC1=O)=O)C3=O)=O)=O)=O)=O)C(OC([C@@H](NC(CCC)=O)C)=O)C)=O)C)=O
+CH$IUPAC: InChI=1S/C52H80ClN9O16/c1-13-15-37(65)54-26(7)44(68)59-42(29(10)77-51(75)27(8)55-38(66)16-14-2)48(72)60-41-30(11)78-52(76)40(25(5)6)58-46(70)35(23-31-17-19-36(64)32(53)22-31)61(12)50(74)43(28(9)63)62-39(67)20-18-33(49(62)73)56-45(69)34(21-24(3)4)57-47(41)71/h17,19,22,24-30,33-35,39-43,63-64,67H,13-16,18,20-21,23H2,1-12H3,(H,54,65)(H,55,66)(H,56,69)(H,57,71)(H,58,70)(H,59,68)(H,60,72)/t26-,27+,28-,29?,30-,33+,34+,35+,39+,40-,41-,42?,43+/m1/s1
+CH$LINK: PUBCHEM CID:155802153
+CH$LINK: INCHIKEY KEOLGCFLKHISHR-NFSIXUBXSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 77-1165
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.154 min
+MS$FOCUSED_ION: BASE_PEAK 1144.5303
+MS$FOCUSED_ION: PRECURSOR_M/Z 1122.5484
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 2307138.46
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-01q9-1900000000-e89e19d0641e1b83e828
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  80.0495 C5H6N+ 1 80.0495 0.81
+  84.0445 C4H6NO+ 2 84.0444 1.01
+  86.0965 C5H12N+ 1 86.0964 1.03
+  96.0809 C6H10N+ 1 96.0808 1.69
+  110.0601 C6H8NO+ 2 110.06 0.32
+  111.0917 C6H11N2+ 1 111.0917 0.38
+  114.0914 C6H12NO+ 2 114.0913 0.49
+  123.0916 C7H11N2+ 1 123.0917 -0.38
+  124.0757 C7H10NO+ 2 124.0757 -0.18
+  127.0865 C6H11N2O+ 2 127.0866 -0.49
+  139.0864 C7H11N2O+ 1 139.0866 -1.55
+  141.1023 C7H13N2O+ 2 141.1022 0.75
+  142.0862 C7H12NO2+ 2 142.0863 -0.71
+  148.0755 C9H10NO+ 2 148.0757 -1.09
+  149.0836 C9H11NO+ 2 149.0835 0.29
+  151.0867 C8H11N2O+ 2 151.0866 0.47
+  155.0818 C7H11N2O2+ 2 155.0815 1.67
+  167.0816 C8H11N2O2+ 2 167.0815 0.59
+  169.0971 C8H13N2O2+ 3 169.0972 -0.33
+  179.0816 C9H11N2O2+ 2 179.0815 0.62
+  184.0524 C9H11ClNO+ 2 184.0524 0.05
+PK$NUM_PEAK: 21
+PK$PEAK: m/z int. rel.int.
+  80.0495 40838.2 230
+  84.0445 37311.6 210
+  86.0965 37285.2 210
+  96.0809 33702.5 190
+  110.0601 108337.4 611
+  111.0917 9048.6 51
+  114.0914 83200.7 469
+  123.0916 35455.9 199
+  124.0757 39920.3 225
+  127.0865 36366.5 205
+  139.0864 70719 398
+  141.1023 20744.2 117
+  142.0862 27168.4 153
+  148.0755 10010.4 56
+  149.0836 20211.6 113
+  151.0867 88332.1 498
+  155.0818 23196.2 130
+  167.0816 49192.1 277
+  169.0971 44002.4 248
+  179.0816 33779.7 190
+  184.0524 177120.4 999
+//
diff --git a/Eawag/MSBNK-MLU-ED046451.txt b/Eawag/MSBNK-MLU-ED046451.txt
new file mode 100644
index 0000000000..2118107b03
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED046451.txt
@@ -0,0 +1,50 @@
+ACCESSION: MSBNK-MLU-ED046451
+RECORD_TITLE: Scyptolin B; LC-ESI-QFT; MS2; CE: 15%; R=17500; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Enke [dtc], H. Enke [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 464
+CH$NAME: Scyptolin B
+CH$NAME: [3-[[(2R)-2-(butanoylamino)propanoyl]amino]-4-[[(2S,5S,8R,11R,12R,15S,18S,21S)-5-[(3-chloro-4-hydroxyphenyl)methyl]-21-hydroxy-2-[(1R)-1-hydroxyethyl]-4,11-dimethyl-15-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-4-oxobutan-2-yl] (2S)-2-(butanoylamino)propanoate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H80ClN9O16
+CH$EXACT_MASS: 1121.541155
+CH$SMILES: CCCC(N[C@@H](C(NC(C(N[C@@H]1[C@@H](C)OC([C@@H](C(C)C)NC([C@H](CC2=CC(Cl)=C(O)C=C2)N(C)C([C@H]([C@H](O)C)N3[C@@H](O)CC[C@H](NC([C@H](CC(C)C)NC1=O)=O)C3=O)=O)=O)=O)=O)C(OC([C@@H](NC(CCC)=O)C)=O)C)=O)C)=O
+CH$IUPAC: InChI=1S/C52H80ClN9O16/c1-13-15-37(65)54-26(7)44(68)59-42(29(10)77-51(75)27(8)55-38(66)16-14-2)48(72)60-41-30(11)78-52(76)40(25(5)6)58-46(70)35(23-31-17-19-36(64)32(53)22-31)61(12)50(74)43(28(9)63)62-39(67)20-18-33(49(62)73)56-45(69)34(21-24(3)4)57-47(41)71/h17,19,22,24-30,33-35,39-43,63-64,67H,13-16,18,20-21,23H2,1-12H3,(H,54,65)(H,55,66)(H,56,69)(H,57,71)(H,58,70)(H,59,68)(H,60,72)/t26-,27+,28-,29?,30-,33+,34+,35+,39+,40-,41-,42?,43+/m1/s1
+CH$LINK: PUBCHEM CID:155802153
+CH$LINK: INCHIKEY KEOLGCFLKHISHR-NFSIXUBXSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 77-1160
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.131 min
+MS$FOCUSED_ION: BASE_PEAK 1120.5344
+MS$FOCUSED_ION: PRECURSOR_M/Z 1120.5339
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 1449067.38
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0100-8900001005-3d6b411c4237b1658d1c
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  638.3548 C30H54O14- 23 638.3519 4.59
+  917.4171 C42H66ClN4O16- 14 917.4168 0.33
+  1076.5069 C52H77ClN6O16- 2 1076.509 -1.97
+  1120.5347 C52H79ClN9O16- 1 1120.5339 0.76
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  638.3548 42815.8 135
+  917.4171 187145.9 590
+  1076.5069 281627.2 889
+  1120.5347 316369.5 999
+//
diff --git a/Eawag/MSBNK-MLU-ED046452.txt b/Eawag/MSBNK-MLU-ED046452.txt
new file mode 100644
index 0000000000..745ed5f313
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED046452.txt
@@ -0,0 +1,52 @@
+ACCESSION: MSBNK-MLU-ED046452
+RECORD_TITLE: Scyptolin B; LC-ESI-QFT; MS2; CE: 20%; R=17500; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Enke [dtc], H. Enke [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 464
+CH$NAME: Scyptolin B
+CH$NAME: [3-[[(2R)-2-(butanoylamino)propanoyl]amino]-4-[[(2S,5S,8R,11R,12R,15S,18S,21S)-5-[(3-chloro-4-hydroxyphenyl)methyl]-21-hydroxy-2-[(1R)-1-hydroxyethyl]-4,11-dimethyl-15-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-4-oxobutan-2-yl] (2S)-2-(butanoylamino)propanoate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H80ClN9O16
+CH$EXACT_MASS: 1121.541155
+CH$SMILES: CCCC(N[C@@H](C(NC(C(N[C@@H]1[C@@H](C)OC([C@@H](C(C)C)NC([C@H](CC2=CC(Cl)=C(O)C=C2)N(C)C([C@H]([C@H](O)C)N3[C@@H](O)CC[C@H](NC([C@H](CC(C)C)NC1=O)=O)C3=O)=O)=O)=O)=O)C(OC([C@@H](NC(CCC)=O)C)=O)C)=O)C)=O
+CH$IUPAC: InChI=1S/C52H80ClN9O16/c1-13-15-37(65)54-26(7)44(68)59-42(29(10)77-51(75)27(8)55-38(66)16-14-2)48(72)60-41-30(11)78-52(76)40(25(5)6)58-46(70)35(23-31-17-19-36(64)32(53)22-31)61(12)50(74)43(28(9)63)62-39(67)20-18-33(49(62)73)56-45(69)34(21-24(3)4)57-47(41)71/h17,19,22,24-30,33-35,39-43,63-64,67H,13-16,18,20-21,23H2,1-12H3,(H,54,65)(H,55,66)(H,56,69)(H,57,71)(H,58,70)(H,59,68)(H,60,72)/t26-,27+,28-,29?,30-,33+,34+,35+,39+,40-,41-,42?,43+/m1/s1
+CH$LINK: PUBCHEM CID:155802153
+CH$LINK: INCHIKEY KEOLGCFLKHISHR-NFSIXUBXSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 77-1160
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.131 min
+MS$FOCUSED_ION: BASE_PEAK 1120.5344
+MS$FOCUSED_ION: PRECURSOR_M/Z 1120.5339
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 1449067.38
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-014i-2200012009-ab6d3175997a8e61c221
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  594.3252 C40H47ClO2- 20 594.327 -3.01
+  638.3531 C30H54O14- 23 638.3519 1.92
+  917.4198 C45H64ClN5O13- 14 917.4195 0.34
+  1076.5069 C52H77ClN6O16- 2 1076.509 -1.97
+  1120.5373 C52H79ClN9O16- 1 1120.5339 3.05
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  594.3252 71217.9 169
+  638.3531 100761.4 239
+  917.4198 420094.9 999
+  1076.5069 113720 270
+  1120.5373 94011.4 223
+//
diff --git a/Eawag/MSBNK-MLU-ED046453.txt b/Eawag/MSBNK-MLU-ED046453.txt
new file mode 100644
index 0000000000..7957a731e1
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED046453.txt
@@ -0,0 +1,58 @@
+ACCESSION: MSBNK-MLU-ED046453
+RECORD_TITLE: Scyptolin B; LC-ESI-QFT; MS2; CE: 25%; R=17500; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Enke [dtc], H. Enke [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 464
+CH$NAME: Scyptolin B
+CH$NAME: [3-[[(2R)-2-(butanoylamino)propanoyl]amino]-4-[[(2S,5S,8R,11R,12R,15S,18S,21S)-5-[(3-chloro-4-hydroxyphenyl)methyl]-21-hydroxy-2-[(1R)-1-hydroxyethyl]-4,11-dimethyl-15-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-4-oxobutan-2-yl] (2S)-2-(butanoylamino)propanoate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C52H80ClN9O16
+CH$EXACT_MASS: 1121.541155
+CH$SMILES: CCCC(N[C@@H](C(NC(C(N[C@@H]1[C@@H](C)OC([C@@H](C(C)C)NC([C@H](CC2=CC(Cl)=C(O)C=C2)N(C)C([C@H]([C@H](O)C)N3[C@@H](O)CC[C@H](NC([C@H](CC(C)C)NC1=O)=O)C3=O)=O)=O)=O)=O)C(OC([C@@H](NC(CCC)=O)C)=O)C)=O)C)=O
+CH$IUPAC: InChI=1S/C52H80ClN9O16/c1-13-15-37(65)54-26(7)44(68)59-42(29(10)77-51(75)27(8)55-38(66)16-14-2)48(72)60-41-30(11)78-52(76)40(25(5)6)58-46(70)35(23-31-17-19-36(64)32(53)22-31)61(12)50(74)43(28(9)63)62-39(67)20-18-33(49(62)73)56-45(69)34(21-24(3)4)57-47(41)71/h17,19,22,24-30,33-35,39-43,63-64,67H,13-16,18,20-21,23H2,1-12H3,(H,54,65)(H,55,66)(H,56,69)(H,57,71)(H,58,70)(H,59,68)(H,60,72)/t26-,27+,28-,29?,30-,33+,34+,35+,39+,40-,41-,42?,43+/m1/s1
+CH$LINK: PUBCHEM CID:155802153
+CH$LINK: INCHIKEY KEOLGCFLKHISHR-NFSIXUBXSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 77-1160
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.131 min
+MS$FOCUSED_ION: BASE_PEAK 1120.5344
+MS$FOCUSED_ION: PRECURSOR_M/Z 1120.5339
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 1449067.38
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-014i-0000012009-ac0c564a8495ca95b886
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  323.1727 C15H23N4O4- 11 323.1725 0.65
+  480.2349 C19H41ClO11- 17 480.2343 1.18
+  594.3247 C40H47ClO2- 21 594.327 -3.93
+  610.2671 C31H39ClN6O5- 20 610.2676 -0.75
+  638.3522 C30H54O14- 24 638.3519 0.39
+  693.3023 C50H37N4- 25 693.3024 -0.14
+  917.4193 C45H64ClN5O13- 15 917.4195 -0.2
+  1076.5132 C52H77ClN6O16- 1 1076.509 3.93
+PK$NUM_PEAK: 8
+PK$PEAK: m/z int. rel.int.
+  323.1727 26413 62
+  480.2349 15230.9 36
+  594.3247 79689.7 189
+  610.2671 34569.7 82
+  638.3522 42561.3 100
+  693.3023 62424.2 148
+  917.4193 421007 999
+  1076.5132 9514.9 22
+//
diff --git a/Eawag/MSBNK-MLU-ED052501.txt b/Eawag/MSBNK-MLU-ED052501.txt
new file mode 100644
index 0000000000..1ba2870e6b
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED052501.txt
@@ -0,0 +1,59 @@
+ACCESSION: MSBNK-MLU-ED052501
+RECORD_TITLE: Nostotrebin 6; LC-ESI-QFT; MS2; CE: 15%; R=17500; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], R. Kossack [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 525
+CH$NAME: Nostotrebin 6
+CH$NAME: 2-(4-hydroxyphenyl)-2-[1-(4-hydroxyphenyl)-3,4-bis[(4-hydroxyphenyl)methyl]-2,5-dioxocyclopent-3-en-1-yl]-4,5-bis[(4-hydroxyphenyl)methyl]cyclopent-4-ene-1,3-dione
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C50H38O10
+CH$EXACT_MASS: 798.2464974
+CH$SMILES: C1=CC(=CC=C1CC2=C(C(=O)C(C2=O)(C3=CC=C(C=C3)O)C4(C(=O)C(=C(C4=O)CC5=CC=C(C=C5)O)CC6=CC=C(C=C6)O)C7=CC=C(C=C7)O)CC8=CC=C(C=C8)O)O
+CH$IUPAC: InChI=1S/C50H38O10/c51-35-13-1-29(2-14-35)25-41-42(26-30-3-15-36(52)16-4-30)46(58)49(45(41)57,33-9-21-39(55)22-10-33)50(34-11-23-40(56)24-12-34)47(59)43(27-31-5-17-37(53)18-6-31)44(48(50)60)28-32-7-19-38(54)20-8-32/h1-24,51-56H,25-28H2
+CH$LINK: PUBCHEM CID:46240160
+CH$LINK: INCHIKEY BIRIZXULSMAMOU-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 78435989
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 55-835
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.305 min
+MS$FOCUSED_ION: BASE_PEAK 799.2541
+MS$FOCUSED_ION: PRECURSOR_M/Z 799.2538
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 110724225.62
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-052b-0009200000-eda59807456f212ba34e
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  107.049 C7H7O+ 1 107.0491 -0.95
+  307.0966 C19H15O4+ 1 307.0965 0.36
+  371.1284 C24H19O4+ 1 371.1278 1.58
+  399.1229 C25H19O5+ 1 399.1227 0.44
+  400.1306 C25H20O5+ 1 400.1305 0.1
+  401.1382 C25H21O5+ 1 401.1384 -0.31
+  599.171 C37H27O8+ 1 599.17 1.52
+  705.2127 C44H33O9+ 1 705.2119 1.14
+PK$NUM_PEAK: 8
+PK$PEAK: m/z int. rel.int.
+  107.049 2086843.5 28
+  307.0966 51291312 705
+  371.1284 1043943.3 14
+  399.1229 72598976 999
+  400.1306 12653235 174
+  401.1382 19827004 272
+  599.171 1063529.2 14
+  705.2127 2234517.5 30
+//
diff --git a/Eawag/MSBNK-MLU-ED052502.txt b/Eawag/MSBNK-MLU-ED052502.txt
new file mode 100644
index 0000000000..38b76a8561
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED052502.txt
@@ -0,0 +1,79 @@
+ACCESSION: MSBNK-MLU-ED052502
+RECORD_TITLE: Nostotrebin 6; LC-ESI-QFT; MS2; CE: 20%; R=17500; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], R. Kossack [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 525
+CH$NAME: Nostotrebin 6
+CH$NAME: 2-(4-hydroxyphenyl)-2-[1-(4-hydroxyphenyl)-3,4-bis[(4-hydroxyphenyl)methyl]-2,5-dioxocyclopent-3-en-1-yl]-4,5-bis[(4-hydroxyphenyl)methyl]cyclopent-4-ene-1,3-dione
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C50H38O10
+CH$EXACT_MASS: 798.2464974
+CH$SMILES: C1=CC(=CC=C1CC2=C(C(=O)C(C2=O)(C3=CC=C(C=C3)O)C4(C(=O)C(=C(C4=O)CC5=CC=C(C=C5)O)CC6=CC=C(C=C6)O)C7=CC=C(C=C7)O)CC8=CC=C(C=C8)O)O
+CH$IUPAC: InChI=1S/C50H38O10/c51-35-13-1-29(2-14-35)25-41-42(26-30-3-15-36(52)16-4-30)46(58)49(45(41)57,33-9-21-39(55)22-10-33)50(34-11-23-40(56)24-12-34)47(59)43(27-31-5-17-37(53)18-6-31)44(48(50)60)28-32-7-19-38(54)20-8-32/h1-24,51-56H,25-28H2
+CH$LINK: PUBCHEM CID:46240160
+CH$LINK: INCHIKEY BIRIZXULSMAMOU-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 78435989
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 55-835
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.305 min
+MS$FOCUSED_ION: BASE_PEAK 799.2541
+MS$FOCUSED_ION: PRECURSOR_M/Z 799.2538
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 110724225.62
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0a4j-0009100000-157a905845a1cc6301d6
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  121.028 C7H5O2+ 1 121.0284 -3.13
+  161.0229 C9H5O3+ 1 161.0233 -2.68
+  163.0389 C9H7O3+ 1 163.039 -0.69
+  213.0546 C13H9O3+ 1 213.0546 -0.08
+  277.0861 C18H13O3+ 1 277.0859 0.72
+  293.0809 C18H13O4+ 1 293.0808 0.16
+  294.0889 C18H14O4+ 1 294.0887 0.95
+  305.0811 C19H13O4+ 1 305.0808 0.93
+  306.0892 C19H14O4+ 1 306.0887 1.69
+  307.0966 C19H15O4+ 1 307.0965 0.36
+  343.133 C23H19O3+ 1 343.1329 0.49
+  353.1181 C24H17O3+ 1 353.1172 2.55
+  371.128 C24H19O4+ 1 371.1278 0.6
+  399.1228 C25H19O5+ 1 399.1227 0.29
+  400.1304 C25H20O5+ 1 400.1305 -0.2
+  401.1383 C25H21O5+ 1 401.1384 -0.24
+  599.1708 C37H27O8+ 1 599.17 1.22
+  705.2125 C44H33O9+ 1 705.2119 0.8
+PK$NUM_PEAK: 18
+PK$PEAK: m/z int. rel.int.
+  121.028 928422.6 14
+  161.0229 718812 11
+  163.0389 733865.5 11
+  213.0546 1694235.6 26
+  277.0861 729143.4 11
+  293.0809 1311864.1 20
+  294.0889 739918.8 11
+  305.0811 2034702.9 32
+  306.0892 2149430.8 33
+  307.0966 63215104 999
+  343.133 1925529.2 30
+  353.1181 715611.6 11
+  371.128 5873336 92
+  399.1228 57244320 904
+  400.1304 12711882 200
+  401.1383 5083371 80
+  599.1708 724151.6 11
+  705.2125 646758.1 10
+//
diff --git a/Eawag/MSBNK-MLU-ED052503.txt b/Eawag/MSBNK-MLU-ED052503.txt
new file mode 100644
index 0000000000..c4c9c31b27
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED052503.txt
@@ -0,0 +1,107 @@
+ACCESSION: MSBNK-MLU-ED052503
+RECORD_TITLE: Nostotrebin 6; LC-ESI-QFT; MS2; CE: 25%; R=17500; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], R. Kossack [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 525
+CH$NAME: Nostotrebin 6
+CH$NAME: 2-(4-hydroxyphenyl)-2-[1-(4-hydroxyphenyl)-3,4-bis[(4-hydroxyphenyl)methyl]-2,5-dioxocyclopent-3-en-1-yl]-4,5-bis[(4-hydroxyphenyl)methyl]cyclopent-4-ene-1,3-dione
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C50H38O10
+CH$EXACT_MASS: 798.2464974
+CH$SMILES: C1=CC(=CC=C1CC2=C(C(=O)C(C2=O)(C3=CC=C(C=C3)O)C4(C(=O)C(=C(C4=O)CC5=CC=C(C=C5)O)CC6=CC=C(C=C6)O)C7=CC=C(C=C7)O)CC8=CC=C(C=C8)O)O
+CH$IUPAC: InChI=1S/C50H38O10/c51-35-13-1-29(2-14-35)25-41-42(26-30-3-15-36(52)16-4-30)46(58)49(45(41)57,33-9-21-39(55)22-10-33)50(34-11-23-40(56)24-12-34)47(59)43(27-31-5-17-37(53)18-6-31)44(48(50)60)28-32-7-19-38(54)20-8-32/h1-24,51-56H,25-28H2
+CH$LINK: PUBCHEM CID:46240160
+CH$LINK: INCHIKEY BIRIZXULSMAMOU-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 78435989
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 55-835
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.305 min
+MS$FOCUSED_ION: BASE_PEAK 799.2541
+MS$FOCUSED_ION: PRECURSOR_M/Z 799.2538
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 110724225.62
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0a4i-0119000000-e77c534600c85b814906
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  107.049 C7H7O+ 1 107.0491 -1.52
+  121.0284 C7H5O2+ 1 121.0284 -0.04
+  135.044 C8H7O2+ 1 135.0441 -0.39
+  147.0439 C9H7O2+ 1 147.0441 -1.18
+  161.0233 C9H5O3+ 1 161.0233 -0.41
+  163.0389 C9H7O3+ 1 163.039 -0.5
+  185.0595 C12H9O2+ 1 185.0597 -1.17
+  199.0755 C13H11O2+ 1 199.0754 0.75
+  212.0468 C13H8O3+ 1 212.0468 0.25
+  213.0547 C13H9O3+ 1 213.0546 0.2
+  225.091 C15H13O2+ 1 225.091 -0.05
+  237.0911 C16H13O2+ 1 237.091 0.59
+  249.091 C17H13O2+ 1 249.091 0.18
+  261.0909 C18H13O2+ 1 261.091 -0.55
+  263.0701 C17H11O3+ 1 263.0703 -0.47
+  265.0857 C17H13O3+ 1 265.0859 -0.77
+  277.086 C18H13O3+ 1 277.0859 0.39
+  279.1016 C18H15O3+ 1 279.1016 -0.01
+  289.0855 C19H13O3+ 1 289.0859 -1.41
+  293.0809 C18H13O4+ 1 293.0808 0.26
+  294.0888 C18H14O4+ 1 294.0887 0.33
+  305.081 C19H13O4+ 1 305.0808 0.63
+  306.0889 C19H14O4+ 1 306.0887 0.79
+  307.0965 C19H15O4+ 1 307.0965 0.16
+  343.133 C23H19O3+ 1 343.1329 0.31
+  353.1174 C24H17O3+ 1 353.1172 0.39
+  371.1279 C24H19O4+ 1 371.1278 0.19
+  381.1124 C25H17O4+ 1 381.1121 0.8
+  399.1228 C25H19O5+ 1 399.1227 0.13
+  400.1305 C25H20O5+ 1 400.1305 -0.05
+  401.138 C25H21O5+ 1 401.1384 -1
+  475.1175 C30H19O6+ 1 475.1176 -0.19
+PK$NUM_PEAK: 32
+PK$PEAK: m/z int. rel.int.
+  107.049 8272127.5 125
+  121.0284 3376621 51
+  135.044 2424606.8 36
+  147.0439 663904.8 10
+  161.0233 4663444.5 70
+  163.0389 2014438.2 30
+  185.0595 695337.8 10
+  199.0755 1323945.1 20
+  212.0468 757924.8 11
+  213.0547 5960267 90
+  225.091 1553222 23
+  237.0911 1667573.1 25
+  249.091 1653722.5 25
+  261.0909 1062880.1 16
+  263.0701 1463967.5 22
+  265.0857 805874.2 12
+  277.086 3295606 50
+  279.1016 970280 14
+  289.0855 958959.4 14
+  293.0809 3006999.8 45
+  294.0888 1948184.9 29
+  305.081 4372542.5 66
+  306.0889 5755695 87
+  307.0965 65704468 999
+  343.133 7499802.5 114
+  353.1174 2653201 40
+  371.1279 14921803 226
+  381.1124 1496114.5 22
+  399.1228 33240556 505
+  400.1305 8007561 121
+  401.138 901741 13
+  475.1175 734236.8 11
+//
diff --git a/Eawag/MSBNK-MLU-ED052504.txt b/Eawag/MSBNK-MLU-ED052504.txt
new file mode 100644
index 0000000000..875b4d6465
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED052504.txt
@@ -0,0 +1,137 @@
+ACCESSION: MSBNK-MLU-ED052504
+RECORD_TITLE: Nostotrebin 6; LC-ESI-QFT; MS2; CE: 30%; R=17500; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], R. Kossack [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 525
+CH$NAME: Nostotrebin 6
+CH$NAME: 2-(4-hydroxyphenyl)-2-[1-(4-hydroxyphenyl)-3,4-bis[(4-hydroxyphenyl)methyl]-2,5-dioxocyclopent-3-en-1-yl]-4,5-bis[(4-hydroxyphenyl)methyl]cyclopent-4-ene-1,3-dione
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C50H38O10
+CH$EXACT_MASS: 798.2464974
+CH$SMILES: C1=CC(=CC=C1CC2=C(C(=O)C(C2=O)(C3=CC=C(C=C3)O)C4(C(=O)C(=C(C4=O)CC5=CC=C(C=C5)O)CC6=CC=C(C=C6)O)C7=CC=C(C=C7)O)CC8=CC=C(C=C8)O)O
+CH$IUPAC: InChI=1S/C50H38O10/c51-35-13-1-29(2-14-35)25-41-42(26-30-3-15-36(52)16-4-30)46(58)49(45(41)57,33-9-21-39(55)22-10-33)50(34-11-23-40(56)24-12-34)47(59)43(27-31-5-17-37(53)18-6-31)44(48(50)60)28-32-7-19-38(54)20-8-32/h1-24,51-56H,25-28H2
+CH$LINK: PUBCHEM CID:46240160
+CH$LINK: INCHIKEY BIRIZXULSMAMOU-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 78435989
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 55-835
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.305 min
+MS$FOCUSED_ION: BASE_PEAK 799.2541
+MS$FOCUSED_ION: PRECURSOR_M/Z 799.2538
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 110724225.62
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0a4i-0449000000-8624fa2c4dcf75037918
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  107.0491 C7H7O+ 1 107.0491 -0.16
+  119.0491 C8H7O+ 1 119.0491 0
+  121.0284 C7H5O2+ 1 121.0284 0.15
+  131.0488 C9H7O+ 1 131.0491 -2.68
+  133.0283 C8H5O2+ 1 133.0284 -0.66
+  135.044 C8H7O2+ 1 135.0441 -0.17
+  145.0648 C10H9O+ 1 145.0648 0.08
+  147.0439 C9H7O2+ 1 147.0441 -0.87
+  161.0232 C9H5O3+ 1 161.0233 -0.51
+  163.0389 C9H7O3+ 1 163.039 -0.32
+  173.0595 C11H9O2+ 1 173.0597 -0.92
+  184.0518 C12H8O2+ 1 184.0519 -0.46
+  185.0598 C12H9O2+ 1 185.0597 0.4
+  199.0754 C13H11O2+ 1 199.0754 0.21
+  211.0757 C14H11O2+ 1 211.0754 1.41
+  212.0469 C13H8O3+ 1 212.0468 0.53
+  213.0547 C13H9O3+ 1 213.0546 0.28
+  214.0625 C13H10O3+ 1 214.0624 0.3
+  225.091 C15H13O2+ 1 225.091 0.08
+  231.0804 C17H11O+ 1 231.0804 -0.26
+  237.0911 C16H13O2+ 1 237.091 0.33
+  249.0911 C17H13O2+ 1 249.091 0.24
+  250.099 C17H14O2+ 1 250.0988 0.87
+  251.1067 C17H15O2+ 1 251.1067 0.16
+  261.0909 C18H13O2+ 1 261.091 -0.32
+  263.0705 C17H11O3+ 1 263.0703 0.69
+  265.0859 C17H13O3+ 1 265.0859 -0.08
+  277.086 C18H13O3+ 1 277.0859 0.39
+  278.0938 C18H14O3+ 1 278.0937 0.36
+  279.1015 C18H15O3+ 1 279.1016 -0.23
+  288.078 C19H12O3+ 1 288.0781 -0.43
+  289.0857 C19H13O3+ 1 289.0859 -0.89
+  292.0724 C18H12O4+ 1 292.073 -2.21
+  293.081 C18H13O4+ 1 293.0808 0.47
+  294.0887 C18H14O4+ 1 294.0887 0.12
+  305.081 C19H13O4+ 1 305.0808 0.63
+  306.0888 C19H14O4+ 1 306.0887 0.4
+  307.0965 C19H15O4+ 1 307.0965 -0.04
+  335.1076 C24H15O2+ 1 335.1067 2.83
+  343.1329 C23H19O3+ 1 343.1329 0.13
+  353.1173 C24H17O3+ 1 353.1172 0.13
+  363.101 C25H15O3+ 1 363.1016 -1.57
+  371.1278 C24H19O4+ 1 371.1278 0.02
+  381.1119 C25H17O4+ 1 381.1121 -0.64
+  399.1228 C25H19O5+ 1 399.1227 0.13
+  400.1307 C25H20O5+ 1 400.1305 0.41
+  475.1176 C30H19O6+ 1 475.1176 0.01
+PK$NUM_PEAK: 47
+PK$PEAK: m/z int. rel.int.
+  107.0491 11318994 315
+  119.0491 480857.8 13
+  121.0284 5003769.5 139
+  131.0488 366829.5 10
+  133.0283 2381272.2 66
+  135.044 3727312.5 103
+  145.0648 518210.6 14
+  147.0439 1059046.8 29
+  161.0232 10208595 284
+  163.0389 1608660.9 44
+  173.0595 419040.4 11
+  184.0518 374823.4 10
+  185.0598 1883695.5 52
+  199.0754 1735046.6 48
+  211.0757 447373.7 12
+  212.0469 1281585 35
+  213.0547 7788264.5 217
+  214.0625 667331.4 18
+  225.091 1877315.2 52
+  231.0804 564912.1 15
+  237.0911 2437367 67
+  249.0911 3233255.8 90
+  250.099 831090.3 23
+  251.1067 610052.9 17
+  261.0909 2351226.5 65
+  263.0705 1510942.2 42
+  265.0859 1303440.2 36
+  277.086 4300138 119
+  278.0938 1125843.5 31
+  279.1015 1564154.1 43
+  288.078 568776.7 15
+  289.0857 1953526.4 54
+  292.0724 371473.9 10
+  293.081 2522758.5 70
+  294.0887 2256838 62
+  305.081 2964067.2 82
+  306.0888 4558349.5 127
+  307.0965 35829760 999
+  335.1076 451042.8 12
+  343.1329 8239713.5 229
+  353.1173 2782435.8 77
+  363.101 411706.2 11
+  371.1278 13124229 365
+  381.1119 1174394 32
+  399.1228 8224859.5 229
+  400.1307 2294791 63
+  475.1176 412662.9 11
+//
diff --git a/Eawag/MSBNK-MLU-ED052505.txt b/Eawag/MSBNK-MLU-ED052505.txt
new file mode 100644
index 0000000000..854ba3a3d2
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED052505.txt
@@ -0,0 +1,179 @@
+ACCESSION: MSBNK-MLU-ED052505
+RECORD_TITLE: Nostotrebin 6; LC-ESI-QFT; MS2; CE: 40%; R=17500; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], R. Kossack [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 525
+CH$NAME: Nostotrebin 6
+CH$NAME: 2-(4-hydroxyphenyl)-2-[1-(4-hydroxyphenyl)-3,4-bis[(4-hydroxyphenyl)methyl]-2,5-dioxocyclopent-3-en-1-yl]-4,5-bis[(4-hydroxyphenyl)methyl]cyclopent-4-ene-1,3-dione
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C50H38O10
+CH$EXACT_MASS: 798.2464974
+CH$SMILES: C1=CC(=CC=C1CC2=C(C(=O)C(C2=O)(C3=CC=C(C=C3)O)C4(C(=O)C(=C(C4=O)CC5=CC=C(C=C5)O)CC6=CC=C(C=C6)O)C7=CC=C(C=C7)O)CC8=CC=C(C=C8)O)O
+CH$IUPAC: InChI=1S/C50H38O10/c51-35-13-1-29(2-14-35)25-41-42(26-30-3-15-36(52)16-4-30)46(58)49(45(41)57,33-9-21-39(55)22-10-33)50(34-11-23-40(56)24-12-34)47(59)43(27-31-5-17-37(53)18-6-31)44(48(50)60)28-32-7-19-38(54)20-8-32/h1-24,51-56H,25-28H2
+CH$LINK: PUBCHEM CID:46240160
+CH$LINK: INCHIKEY BIRIZXULSMAMOU-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 78435989
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 55-835
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.305 min
+MS$FOCUSED_ION: BASE_PEAK 799.2541
+MS$FOCUSED_ION: PRECURSOR_M/Z 799.2538
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 110724225.62
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0bt9-0962000000-384d6edba7eab4e729c0
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  95.0491 C6H7O+ 1 95.0491 -0.23
+  105.0335 C7H5O+ 1 105.0335 0.42
+  107.0492 C7H7O+ 1 107.0491 0.33
+  119.0491 C8H7O+ 1 119.0491 -0.06
+  121.0284 C7H5O2+ 1 121.0284 0.21
+  131.0491 C9H7O+ 1 131.0491 -0.58
+  133.0284 C8H5O2+ 1 133.0284 -0.09
+  134.0362 C8H6O2+ 1 134.0362 -0.29
+  135.044 C8H7O2+ 1 135.0441 -0.62
+  144.0569 C10H8O+ 1 144.057 -0.47
+  145.0648 C10H9O+ 1 145.0648 -0.13
+  147.044 C9H7O2+ 1 147.0441 -0.35
+  157.0648 C11H9O+ 1 157.0648 -0.22
+  159.0441 C10H7O2+ 1 159.0441 0.02
+  161.0233 C9H5O3+ 1 161.0233 -0.41
+  163.039 C9H7O3+ 1 163.039 0.15
+  169.0648 C12H9O+ 1 169.0648 0.03
+  171.044 C11H7O2+ 1 171.0441 -0.2
+  173.0597 C11H9O2+ 1 173.0597 0.05
+  183.0442 C12H7O2+ 1 183.0441 0.6
+  184.0519 C12H8O2+ 1 184.0519 -0.13
+  185.0597 C12H9O2+ 1 185.0597 0.07
+  199.0754 C13H11O2+ 1 199.0754 0.29
+  207.0803 C15H11O+ 1 207.0804 -0.57
+  211.0756 C14H11O2+ 1 211.0754 1.05
+  212.0469 C13H8O3+ 1 212.0468 0.61
+  213.0546 C13H9O3+ 1 213.0546 0.13
+  214.0625 C13H10O3+ 1 214.0624 0.09
+  215.0854 C17H11+ 1 215.0855 -0.51
+  219.0805 C16H11O+ 1 219.0804 0.43
+  221.0961 C16H13O+ 1 221.0961 -0.07
+  223.0754 C15H11O2+ 1 223.0754 0.37
+  225.091 C15H13O2+ 1 225.091 0.08
+  231.0805 C17H11O+ 1 231.0804 0.2
+  233.0961 C17H13O+ 1 233.0961 0.19
+  235.0755 C16H11O2+ 1 235.0754 0.54
+  236.0832 C16H12O2+ 1 236.0832 0.17
+  237.0911 C16H13O2+ 1 237.091 0.2
+  247.0756 C17H11O2+ 1 247.0754 1.18
+  248.0828 C17H12O2+ 1 248.0832 -1.51
+  249.091 C17H13O2+ 1 249.091 0.05
+  250.0989 C17H14O2+ 1 250.0988 0.32
+  251.0703 C16H11O3+ 1 251.0703 0.26
+  251.1066 C17H15O2+ 1 251.1067 -0.14
+  259.0754 C18H11O2+ 1 259.0754 0.1
+  260.0831 C18H12O2+ 1 260.0832 -0.17
+  261.091 C18H13O2+ 1 261.091 0.03
+  263.0703 C17H11O3+ 1 263.0703 0.22
+  265.0858 C17H13O3+ 1 265.0859 -0.31
+  271.0754 C19H11O2+ 1 271.0754 0.13
+  277.0859 C18H13O3+ 1 277.0859 0.06
+  278.0936 C18H14O3+ 1 278.0937 -0.63
+  279.1014 C18H15O3+ 1 279.1016 -0.77
+  287.0704 C19H11O3+ 1 287.0703 0.56
+  288.078 C19H12O3+ 1 288.0781 -0.22
+  289.0856 C19H13O3+ 1 289.0859 -1.1
+  292.0716 C18H12O4+ 1 292.073 -4.82
+  293.0803 C18H13O4+ 1 293.0808 -1.82
+  294.0887 C18H14O4+ 1 294.0887 0.02
+  305.0806 C19H13O4+ 1 305.0808 -0.87
+  306.0886 C19H14O4+ 1 306.0887 -0.1
+  307.0961 C19H15O4+ 1 307.0965 -1.13
+  335.1066 C24H15O2+ 1 335.1067 -0.17
+  343.1329 C23H19O3+ 1 343.1329 0.13
+  353.1174 C24H17O3+ 1 353.1172 0.56
+  363.1027 C25H15O3+ 1 363.1016 3.14
+  371.1279 C24H19O4+ 1 371.1278 0.19
+  399.1238 C25H19O5+ 1 399.1227 2.66
+PK$NUM_PEAK: 68
+PK$PEAK: m/z int. rel.int.
+  95.0491 354111.6 10
+  105.0335 1062261.6 32
+  107.0492 32238918 999
+  119.0491 1340969.9 41
+  121.0284 10590792 328
+  131.0491 1650336.2 51
+  133.0284 16753539 519
+  134.0362 445065.8 13
+  135.044 6839630 211
+  144.0569 1028812.6 31
+  145.0648 2015237.5 62
+  147.044 2422129.2 75
+  157.0648 1112405.4 34
+  159.0441 689886.4 21
+  161.0233 20581732 637
+  163.039 833520.8 25
+  169.0648 437241.4 13
+  171.044 1021905.7 31
+  173.0597 955187.8 29
+  183.0442 1142484.6 35
+  184.0519 1067443.8 33
+  185.0597 7436651 230
+  199.0754 2753967.8 85
+  207.0803 377620.2 11
+  211.0756 812760.4 25
+  212.0469 2345951.5 72
+  213.0546 8298050 257
+  214.0625 1733365.4 53
+  215.0854 378735.1 11
+  219.0805 1435554.5 44
+  221.0961 1439173.1 44
+  223.0754 1274050 39
+  225.091 2774322.2 85
+  231.0805 3095617.2 95
+  233.0961 1671598 51
+  235.0755 887255.4 27
+  236.0832 1163245.1 36
+  237.0911 3999138.5 123
+  247.0756 926391.8 28
+  248.0828 327679 10
+  249.091 8208850 254
+  250.0989 1460519 45
+  251.0703 592134.9 18
+  251.1066 1724471.6 53
+  259.0754 1396493.5 43
+  260.0831 1302722.2 40
+  261.091 6537917.5 202
+  263.0703 1622840 50
+  265.0858 1972022 61
+  271.0754 859802.8 26
+  277.0859 6658532.5 206
+  278.0936 1483881.4 45
+  279.1014 2556252.8 79
+  287.0704 888027.4 27
+  288.078 1025318.2 31
+  289.0856 3819489.8 118
+  292.0716 564753.4 17
+  293.0803 1566017.1 48
+  294.0887 2455765.2 76
+  305.0806 2083364.5 64
+  306.0886 1857157.6 57
+  307.0961 9318174 288
+  335.1066 969477.6 30
+  343.1329 8780873 272
+  353.1174 2792985.2 86
+  363.1027 520094.4 16
+  371.1279 7172560.5 222
+  399.1238 646293.5 20
+//
diff --git a/Eawag/MSBNK-MLU-ED052506.txt b/Eawag/MSBNK-MLU-ED052506.txt
new file mode 100644
index 0000000000..800d1a7402
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED052506.txt
@@ -0,0 +1,189 @@
+ACCESSION: MSBNK-MLU-ED052506
+RECORD_TITLE: Nostotrebin 6; LC-ESI-QFT; MS2; CE: 50%; R=17500; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], R. Kossack [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 525
+CH$NAME: Nostotrebin 6
+CH$NAME: 2-(4-hydroxyphenyl)-2-[1-(4-hydroxyphenyl)-3,4-bis[(4-hydroxyphenyl)methyl]-2,5-dioxocyclopent-3-en-1-yl]-4,5-bis[(4-hydroxyphenyl)methyl]cyclopent-4-ene-1,3-dione
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C50H38O10
+CH$EXACT_MASS: 798.2464974
+CH$SMILES: C1=CC(=CC=C1CC2=C(C(=O)C(C2=O)(C3=CC=C(C=C3)O)C4(C(=O)C(=C(C4=O)CC5=CC=C(C=C5)O)CC6=CC=C(C=C6)O)C7=CC=C(C=C7)O)CC8=CC=C(C=C8)O)O
+CH$IUPAC: InChI=1S/C50H38O10/c51-35-13-1-29(2-14-35)25-41-42(26-30-3-15-36(52)16-4-30)46(58)49(45(41)57,33-9-21-39(55)22-10-33)50(34-11-23-40(56)24-12-34)47(59)43(27-31-5-17-37(53)18-6-31)44(48(50)60)28-32-7-19-38(54)20-8-32/h1-24,51-56H,25-28H2
+CH$LINK: PUBCHEM CID:46240160
+CH$LINK: INCHIKEY BIRIZXULSMAMOU-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 78435989
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 55-835
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.305 min
+MS$FOCUSED_ION: BASE_PEAK 799.2541
+MS$FOCUSED_ION: PRECURSOR_M/Z 799.2538
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 110724225.62
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0a59-0940000000-3c588af3a3b1e1112d9a
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  79.0543 C6H7+ 1 79.0542 0.46
+  95.0491 C6H7O+ 1 95.0491 0.09
+  105.0336 C7H5O+ 1 105.0335 0.93
+  107.0492 C7H7O+ 1 107.0491 0.33
+  119.0492 C8H7O+ 1 119.0491 0.45
+  121.0284 C7H5O2+ 1 121.0284 0.34
+  131.0492 C9H7O+ 1 131.0491 0.11
+  133.0284 C8H5O2+ 1 133.0284 -0.09
+  134.0361 C8H6O2+ 1 134.0362 -0.86
+  135.044 C8H7O2+ 1 135.0441 -0.62
+  144.0569 C10H8O+ 1 144.057 -0.57
+  145.0648 C10H9O+ 1 145.0648 -0.24
+  147.044 C9H7O2+ 1 147.0441 -0.45
+  155.049 C11H7O+ 1 155.0491 -0.8
+  157.0647 C11H9O+ 1 157.0648 -0.32
+  159.044 C10H7O2+ 1 159.0441 -0.46
+  161.0232 C9H5O3+ 1 161.0233 -0.51
+  168.057 C12H8O+ 1 168.057 0.16
+  169.0648 C12H9O+ 1 169.0648 0.3
+  171.044 C11H7O2+ 1 171.0441 -0.56
+  173.0597 C11H9O2+ 1 173.0597 0.05
+  181.0648 C13H9O+ 1 181.0648 -0.18
+  183.0441 C12H7O2+ 1 183.0441 0.51
+  184.0519 C12H8O2+ 1 184.0519 -0.13
+  185.0597 C12H9O2+ 1 185.0597 0.15
+  191.0854 C15H11+ 1 191.0855 -0.42
+  199.0754 C13H11O2+ 1 199.0754 0.29
+  203.0855 C16H11+ 1 203.0855 -0.07
+  205.1014 C16H13+ 1 205.1012 1.03
+  207.0803 C15H11O+ 1 207.0804 -0.5
+  211.0757 C14H11O2+ 1 211.0754 1.48
+  212.047 C13H8O3+ 1 212.0468 0.82
+  213.0546 C13H9O3+ 1 213.0546 -0.01
+  214.0625 C13H10O3+ 1 214.0624 0.23
+  215.0855 C17H11+ 1 215.0855 0.06
+  218.0726 C16H10O+ 1 218.0726 -0.02
+  219.0805 C16H11O+ 1 219.0804 0.29
+  221.0961 C16H13O+ 1 221.0961 0.2
+  223.0754 C15H11O2+ 1 223.0754 0.23
+  225.091 C15H13O2+ 1 225.091 -0.05
+  231.0805 C17H11O+ 1 231.0804 0.07
+  232.0879 C17H12O+ 1 232.0883 -1.42
+  233.0962 C17H13O+ 1 233.0961 0.38
+  234.0679 C16H10O2+ 1 234.0675 1.55
+  235.0753 C16H11O2+ 1 235.0754 -0.05
+  236.0832 C16H12O2+ 1 236.0832 0.17
+  237.0911 C16H13O2+ 1 237.091 0.2
+  243.0798 C18H11O+ 1 243.0804 -2.71
+  247.0752 C17H11O2+ 1 247.0754 -0.74
+  248.0829 C17H12O2+ 1 248.0832 -1.33
+  249.091 C17H13O2+ 1 249.091 -0.07
+  250.0985 C17H14O2+ 1 250.0988 -1.2
+  251.07 C16H11O3+ 1 251.0703 -1.08
+  251.1069 C17H15O2+ 1 251.1067 0.83
+  259.0752 C18H11O2+ 1 259.0754 -0.72
+  260.0832 C18H12O2+ 1 260.0832 0.07
+  261.091 C18H13O2+ 1 261.091 0.15
+  263.0701 C17H11O3+ 1 263.0703 -0.59
+  264.0775 C17H12O3+ 1 264.0781 -2.35
+  265.0857 C17H13O3+ 1 265.0859 -0.77
+  271.0755 C19H11O2+ 1 271.0754 0.58
+  277.0858 C18H13O3+ 1 277.0859 -0.27
+  278.0932 C18H14O3+ 1 278.0937 -1.95
+  279.1006 C18H15O3+ 1 279.1016 -3.4
+  287.0705 C19H11O3+ 1 287.0703 0.67
+  288.0778 C19H12O3+ 1 288.0781 -1.17
+  289.0845 C19H13O3+ 1 289.0859 -4.79
+  294.0883 C18H14O4+ 1 294.0887 -1.12
+  305.0794 C19H13O4+ 1 305.0808 -4.57
+  335.1068 C24H15O2+ 1 335.1067 0.47
+  343.133 C23H19O3+ 1 343.1329 0.31
+  353.1174 C24H17O3+ 1 353.1172 0.56
+  371.128 C24H19O4+ 1 371.1278 0.52
+PK$NUM_PEAK: 73
+PK$PEAK: m/z int. rel.int.
+  79.0543 896604.8 19
+  95.0491 675269.6 14
+  105.0336 4023551.5 88
+  107.0492 45221256 999
+  119.0492 2378087 52
+  121.0284 11147553 246
+  131.0492 3482401 76
+  133.0284 28199410 622
+  134.0361 590934.6 13
+  135.044 5974074 131
+  144.0569 1525923.6 33
+  145.0648 3020129.8 66
+  147.044 2308197 50
+  155.049 483868.4 10
+  157.0647 2846405.8 62
+  159.044 888872.9 19
+  161.0232 9030356 199
+  168.057 514123.8 11
+  169.0648 527869.1 11
+  171.044 1386612.9 30
+  173.0597 852332.1 18
+  181.0648 512187.5 11
+  183.0441 1350222.9 29
+  184.0519 944978.1 20
+  185.0597 7643994.5 168
+  191.0854 533545.4 11
+  199.0754 2246085 49
+  203.0855 1070939 23
+  205.1014 571866.1 12
+  207.0803 916533.9 20
+  211.0757 805927.5 17
+  212.047 1383767.5 30
+  213.0546 3035042 67
+  214.0625 1036022.5 22
+  215.0855 1610257.1 35
+  218.0726 795817.7 17
+  219.0805 2626739.2 58
+  221.0961 2112459 46
+  223.0754 1927932.2 42
+  225.091 1593536.9 35
+  231.0805 6739720 148
+  232.0879 658056.5 14
+  233.0962 2552920.2 56
+  234.0679 549743.2 12
+  235.0753 1462191.9 32
+  236.0832 1863807.9 41
+  237.0911 2537502.5 56
+  243.0798 1168907.2 25
+  247.0752 1762637.8 38
+  248.0829 704110.4 15
+  249.091 6983311.5 154
+  250.0985 831769.6 18
+  251.07 453394.8 10
+  251.1069 1145191.5 25
+  259.0752 1623095.1 35
+  260.0832 2157228.8 47
+  261.091 5952276.5 131
+  263.0701 1060843.5 23
+  264.0775 520425.3 11
+  265.0857 1048988.5 23
+  271.0755 1241931.1 27
+  277.0858 3584341.8 79
+  278.0932 750584.9 16
+  279.1006 1070663.4 23
+  287.0705 774687.1 17
+  288.0778 758767.8 16
+  289.0845 2116585.8 46
+  294.0883 1383928.1 30
+  305.0794 846224.1 18
+  335.1068 744380.1 16
+  343.133 2792725.5 61
+  353.1174 1048783.8 23
+  371.128 1049364.5 23
+//
diff --git a/Eawag/MSBNK-MLU-ED052507.txt b/Eawag/MSBNK-MLU-ED052507.txt
new file mode 100644
index 0000000000..cae090a9cf
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED052507.txt
@@ -0,0 +1,177 @@
+ACCESSION: MSBNK-MLU-ED052507
+RECORD_TITLE: Nostotrebin 6; LC-ESI-QFT; MS2; CE: 60%; R=17500; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], R. Kossack [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 525
+CH$NAME: Nostotrebin 6
+CH$NAME: 2-(4-hydroxyphenyl)-2-[1-(4-hydroxyphenyl)-3,4-bis[(4-hydroxyphenyl)methyl]-2,5-dioxocyclopent-3-en-1-yl]-4,5-bis[(4-hydroxyphenyl)methyl]cyclopent-4-ene-1,3-dione
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C50H38O10
+CH$EXACT_MASS: 798.2464974
+CH$SMILES: C1=CC(=CC=C1CC2=C(C(=O)C(C2=O)(C3=CC=C(C=C3)O)C4(C(=O)C(=C(C4=O)CC5=CC=C(C=C5)O)CC6=CC=C(C=C6)O)C7=CC=C(C=C7)O)CC8=CC=C(C=C8)O)O
+CH$IUPAC: InChI=1S/C50H38O10/c51-35-13-1-29(2-14-35)25-41-42(26-30-3-15-36(52)16-4-30)46(58)49(45(41)57,33-9-21-39(55)22-10-33)50(34-11-23-40(56)24-12-34)47(59)43(27-31-5-17-37(53)18-6-31)44(48(50)60)28-32-7-19-38(54)20-8-32/h1-24,51-56H,25-28H2
+CH$LINK: PUBCHEM CID:46240160
+CH$LINK: INCHIKEY BIRIZXULSMAMOU-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 78435989
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 55-835
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.305 min
+MS$FOCUSED_ION: BASE_PEAK 799.2541
+MS$FOCUSED_ION: PRECURSOR_M/Z 799.2538
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 110724225.62
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0a59-0930000000-a91460e07224112511ae
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  68.9972 C3HO2+ 1 68.9971 1.49
+  79.0543 C6H7+ 1 79.0542 0.37
+  91.0542 C7H7+ 1 91.0542 -0.17
+  95.0491 C6H7O+ 1 95.0491 0.01
+  103.0543 C8H7+ 1 103.0542 1.16
+  105.0336 C7H5O+ 1 105.0335 0.85
+  107.0491 C7H7O+ 1 107.0491 0.05
+  115.0541 C9H7+ 1 115.0542 -0.92
+  117.0698 C9H9+ 1 117.0699 -0.55
+  119.0492 C8H7O+ 1 119.0491 0.32
+  121.0284 C7H5O2+ 1 121.0284 0.21
+  129.0698 C10H9+ 1 129.0699 -0.4
+  131.0491 C9H7O+ 1 131.0491 -0.12
+  133.0284 C8H5O2+ 1 133.0284 -0.32
+  135.0439 C8H7O2+ 1 135.0441 -0.96
+  144.0569 C10H8O+ 1 144.057 -0.68
+  145.0647 C10H9O+ 1 145.0648 -0.97
+  147.0439 C9H7O2+ 1 147.0441 -0.97
+  155.049 C11H7O+ 1 155.0491 -1.1
+  157.0647 C11H9O+ 1 157.0648 -0.41
+  159.044 C10H7O2+ 1 159.0441 -0.27
+  161.0232 C9H5O3+ 1 161.0233 -0.69
+  168.0569 C12H8O+ 1 168.057 -0.56
+  171.0438 C11H7O2+ 1 171.0441 -1.54
+  173.0598 C11H9O2+ 1 173.0597 0.4
+  178.0776 C14H10+ 1 178.0777 -0.41
+  181.0648 C13H9O+ 1 181.0648 -0.01
+  183.0441 C12H7O2+ 1 183.0441 0.18
+  184.0518 C12H8O2+ 1 184.0519 -0.62
+  185.0597 C12H9O2+ 1 185.0597 -0.26
+  190.0779 C15H10+ 1 190.0777 0.84
+  191.0855 C15H11+ 1 191.0855 -0.34
+  195.0804 C14H11O+ 1 195.0804 -0.02
+  199.0753 C13H11O2+ 1 199.0754 -0.25
+  202.0776 C16H10+ 1 202.0777 -0.55
+  203.0856 C16H11+ 1 203.0855 0.31
+  205.1012 C16H13+ 1 205.1012 0.29
+  206.0728 C15H10O+ 1 206.0726 1.1
+  207.0802 C15H11O+ 1 207.0804 -1.09
+  211.0753 C14H11O2+ 1 211.0754 -0.11
+  212.047 C13H8O3+ 1 212.0468 0.82
+  213.0541 C13H9O3+ 1 213.0546 -2.3
+  215.0855 C17H11+ 1 215.0855 -0.15
+  218.0726 C16H10O+ 1 218.0726 -0.23
+  219.0804 C16H11O+ 1 219.0804 -0.13
+  221.0961 C16H13O+ 1 221.0961 -0.14
+  223.0754 C15H11O2+ 1 223.0754 0.3
+  225.091 C15H13O2+ 1 225.091 -0.05
+  231.0804 C17H11O+ 1 231.0804 -0.13
+  232.0884 C17H12O+ 1 232.0883 0.69
+  233.0962 C17H13O+ 1 233.0961 0.25
+  234.0674 C16H10O2+ 1 234.0675 -0.66
+  235.0753 C16H11O2+ 1 235.0754 -0.11
+  236.083 C16H12O2+ 1 236.0832 -0.6
+  237.091 C16H13O2+ 1 237.091 -0.19
+  242.0721 C18H10O+ 1 242.0726 -2.3
+  243.0798 C18H11O+ 1 243.0804 -2.58
+  247.0751 C17H11O2+ 1 247.0754 -0.86
+  248.0832 C17H12O2+ 1 248.0832 -0.09
+  249.0909 C17H13O2+ 1 249.091 -0.25
+  259.0752 C18H11O2+ 1 259.0754 -0.6
+  260.0832 C18H12O2+ 1 260.0832 -0.05
+  261.091 C18H13O2+ 1 261.091 0.03
+  263.0697 C17H11O3+ 1 263.0703 -2.33
+  271.0751 C19H11O2+ 1 271.0754 -1
+  277.0853 C18H13O3+ 1 277.0859 -2.36
+  289.0869 C19H13O3+ 1 289.0859 3.23
+PK$NUM_PEAK: 67
+PK$PEAK: m/z int. rel.int.
+  68.9972 639525.6 10
+  79.0543 2249363.2 35
+  91.0542 1191594.5 18
+  95.0491 1622629.4 25
+  103.0543 674278.7 10
+  105.0336 12635119 199
+  107.0491 63302748 999
+  115.0541 860613.9 13
+  117.0698 1051490.2 16
+  119.0492 3440327.2 54
+  121.0284 11833921 186
+  129.0698 886178.8 13
+  131.0491 6462322.5 101
+  133.0284 31419074 495
+  135.0439 4728910 74
+  144.0569 2049303.9 32
+  145.0647 3430561 54
+  147.0439 2197719.5 34
+  155.049 914646.3 14
+  157.0647 5668190.5 89
+  159.044 738984.3 11
+  161.0232 2488825.5 39
+  168.0569 1081987 17
+  171.0438 2109479.2 33
+  173.0598 744713.2 11
+  178.0776 655152.6 10
+  181.0648 1124990 17
+  183.0441 1081294.9 17
+  184.0518 893281.8 14
+  185.0597 6326547.5 99
+  190.0779 678219.4 10
+  191.0855 1341079.8 21
+  195.0804 647308.2 10
+  199.0753 1521707.8 24
+  202.0776 1344723.1 21
+  203.0856 2581353.8 40
+  205.1012 940513.4 14
+  206.0728 839444.3 13
+  207.0802 1419516.1 22
+  211.0753 677590.7 10
+  212.047 713623.2 11
+  213.0541 1262395.6 19
+  215.0855 3727660.5 58
+  218.0726 1953920.9 30
+  219.0804 3487749.5 55
+  221.0961 2125121.5 33
+  223.0754 2503096.2 39
+  225.091 712845.2 11
+  231.0804 9409130 148
+  232.0884 985566.4 15
+  233.0962 2480360.8 39
+  234.0674 985456.4 15
+  235.0753 1722958.2 27
+  236.083 2343051 36
+  237.091 1248259.9 19
+  242.0721 638195.8 10
+  243.0798 1425512.2 22
+  247.0751 2248000.2 35
+  248.0832 837733.2 13
+  249.0909 5766577.5 91
+  259.0752 1475333.2 23
+  260.0832 2381563.8 37
+  261.091 3170910 50
+  263.0697 933088.6 14
+  271.0751 1138195.2 17
+  277.0853 1247905.1 19
+  289.0869 678008.9 10
+//
diff --git a/Eawag/MSBNK-MLU-ED064201.txt b/Eawag/MSBNK-MLU-ED064201.txt
new file mode 100644
index 0000000000..29dfc8982b
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED064201.txt
@@ -0,0 +1,49 @@
+ACCESSION: MSBNK-MLU-ED064201
+RECORD_TITLE: Cyanopeptolin B; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+
+DATE: 2024.04.30
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 642
+CH$NAME: Cyanopeptolin B
+CH$NAME: 4-[[(2S,5S,8S,11R,12S,15S)-15-(4-aminobutyl)-5-benzyl-21-hydroxy-4,11-dimethyl-2-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-3-(hexanoylamino)-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C46H72N8O12
+CH$EXACT_MASS: 928.5269697
+CH$SMILES: CCCCCC(=O)NC(CC(=O)O)C(=O)N[C@H]1[C@H](OC(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](N2C(CCC(C2=O)NC(=O)[C@@H](NC1=O)CCCCN)O)CC(C)C)C)CC3=CC=CC=C3)C(C)C)C
+CH$IUPAC: InChI=1S/C46H72N8O12/c1-8-9-11-19-35(55)48-32(25-37(57)58)41(60)52-39-28(6)66-46(65)38(27(4)5)51-42(61)33(24-29-16-12-10-13-17-29)53(7)45(64)34(23-26(2)3)54-36(56)21-20-31(44(54)63)50-40(59)30(49-43(39)62)18-14-15-22-47/h10,12-13,16-17,26-28,30-34,36,38-39,56H,8-9,11,14-15,18-25,47H2,1-7H3,(H,48,55)(H,49,62)(H,50,59)(H,51,61)(H,52,60)(H,57,58)/t28-,30+,31?,32?,33+,34+,36?,38+,39+/m1/s1
+CH$LINK: PUBCHEM CID:139291933
+CH$LINK: INCHIKEY KSVGOBQTQGOLQM-PLGRJYAQSA-N
+CH$LINK: CHEMSPIDER 78437037
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 64-965
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.861 min
+MS$FOCUSED_ION: BASE_PEAK 957.5422
+MS$FOCUSED_ION: PRECURSOR_M/Z 929.5342
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 165576089.38
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03di-0000000009-8d99988f28b090a6b61a
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  370.2123 C21H28N3O3+ 4 370.2125 -0.59
+  911.524 C46H71N8O11+ 1 911.5237 0.35
+  929.5336 C46H73N8O12+ 1 929.5342 -0.67
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  370.2123 7138526.5 94
+  911.524 75826424 999
+  929.5336 7329189.5 96
+//
diff --git a/Eawag/MSBNK-MLU-ED064202.txt b/Eawag/MSBNK-MLU-ED064202.txt
new file mode 100644
index 0000000000..92a305b999
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED064202.txt
@@ -0,0 +1,73 @@
+ACCESSION: MSBNK-MLU-ED064202
+RECORD_TITLE: Cyanopeptolin B; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+
+DATE: 2024.04.30
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 642
+CH$NAME: Cyanopeptolin B
+CH$NAME: 4-[[(2S,5S,8S,11R,12S,15S)-15-(4-aminobutyl)-5-benzyl-21-hydroxy-4,11-dimethyl-2-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-3-(hexanoylamino)-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C46H72N8O12
+CH$EXACT_MASS: 928.5269697
+CH$SMILES: CCCCCC(=O)NC(CC(=O)O)C(=O)N[C@H]1[C@H](OC(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](N2C(CCC(C2=O)NC(=O)[C@@H](NC1=O)CCCCN)O)CC(C)C)C)CC3=CC=CC=C3)C(C)C)C
+CH$IUPAC: InChI=1S/C46H72N8O12/c1-8-9-11-19-35(55)48-32(25-37(57)58)41(60)52-39-28(6)66-46(65)38(27(4)5)51-42(61)33(24-29-16-12-10-13-17-29)53(7)45(64)34(23-26(2)3)54-36(56)21-20-31(44(54)63)50-40(59)30(49-43(39)62)18-14-15-22-47/h10,12-13,16-17,26-28,30-34,36,38-39,56H,8-9,11,14-15,18-25,47H2,1-7H3,(H,48,55)(H,49,62)(H,50,59)(H,51,61)(H,52,60)(H,57,58)/t28-,30+,31?,32?,33+,34+,36?,38+,39+/m1/s1
+CH$LINK: PUBCHEM CID:139291933
+CH$LINK: INCHIKEY KSVGOBQTQGOLQM-PLGRJYAQSA-N
+CH$LINK: CHEMSPIDER 78437037
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 64-965
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.861 min
+MS$FOCUSED_ION: BASE_PEAK 957.5422
+MS$FOCUSED_ION: PRECURSOR_M/Z 929.5342
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 165576089.38
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03k9-0117000109-07c69e642c7b6b55ea12
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  134.0962 C9H12N+ 1 134.0964 -1.64
+  181.1332 C10H17N2O+ 1 181.1335 -2.12
+  209.1283 C11H17N2O2+ 1 209.1285 -0.78
+  370.2122 C21H28N3O3+ 4 370.2125 -0.75
+  425.2396 C20H33N4O6+ 5 425.2395 0.42
+  498.3091 C29H42N2O5+ 6 498.3088 0.51
+  575.3068 C28H47O12+ 8 575.3062 0.96
+  581.345 C31H45N6O5+ 6 581.3446 0.75
+  680.4147 C38H56N4O7+ 7 680.4144 0.46
+  703.4028 C32H57N5O12+ 7 703.3998 4.24
+  794.4447 C41H60N7O9+ 5 794.4447 -0.03
+  812.4532 C41H62N7O10+ 2 812.4553 -2.54
+  893.5128 C46H69N8O10+ 1 893.5131 -0.31
+  911.5239 C46H71N8O11+ 1 911.5237 0.21
+  929.5307 C46H73N8O12+ 1 929.5342 -3.82
+PK$NUM_PEAK: 15
+PK$PEAK: m/z int. rel.int.
+  134.0962 4252249.5 107
+  181.1332 1237828.9 31
+  209.1283 4968511.5 125
+  370.2122 32156194 812
+  425.2396 637050.2 16
+  498.3091 449543.7 11
+  575.3068 402571.8 10
+  581.345 763695.8 19
+  680.4147 1293719.8 32
+  703.4028 3483848.8 88
+  794.4447 3958972.5 100
+  812.4532 544878.8 13
+  893.5128 708873 17
+  911.5239 39526944 999
+  929.5307 1803903 45
+//
diff --git a/Eawag/MSBNK-MLU-ED064203.txt b/Eawag/MSBNK-MLU-ED064203.txt
new file mode 100644
index 0000000000..2db0dc5809
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED064203.txt
@@ -0,0 +1,81 @@
+ACCESSION: MSBNK-MLU-ED064203
+RECORD_TITLE: Cyanopeptolin B; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+
+DATE: 2024.04.30
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 642
+CH$NAME: Cyanopeptolin B
+CH$NAME: 4-[[(2S,5S,8S,11R,12S,15S)-15-(4-aminobutyl)-5-benzyl-21-hydroxy-4,11-dimethyl-2-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-3-(hexanoylamino)-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C46H72N8O12
+CH$EXACT_MASS: 928.5269697
+CH$SMILES: CCCCCC(=O)NC(CC(=O)O)C(=O)N[C@H]1[C@H](OC(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](N2C(CCC(C2=O)NC(=O)[C@@H](NC1=O)CCCCN)O)CC(C)C)C)CC3=CC=CC=C3)C(C)C)C
+CH$IUPAC: InChI=1S/C46H72N8O12/c1-8-9-11-19-35(55)48-32(25-37(57)58)41(60)52-39-28(6)66-46(65)38(27(4)5)51-42(61)33(24-29-16-12-10-13-17-29)53(7)45(64)34(23-26(2)3)54-36(56)21-20-31(44(54)63)50-40(59)30(49-43(39)62)18-14-15-22-47/h10,12-13,16-17,26-28,30-34,36,38-39,56H,8-9,11,14-15,18-25,47H2,1-7H3,(H,48,55)(H,49,62)(H,50,59)(H,51,61)(H,52,60)(H,57,58)/t28-,30+,31?,32?,33+,34+,36?,38+,39+/m1/s1
+CH$LINK: PUBCHEM CID:139291933
+CH$LINK: INCHIKEY KSVGOBQTQGOLQM-PLGRJYAQSA-N
+CH$LINK: CHEMSPIDER 78437037
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 64-965
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.861 min
+MS$FOCUSED_ION: BASE_PEAK 957.5422
+MS$FOCUSED_ION: PRECURSOR_M/Z 929.5342
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 165576089.38
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-05gi-0659000100-88fcb7c838e33704deac
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  84.0808 C5H10N+ 1 84.0808 0.02
+  86.0962 C5H12N+ 1 86.0964 -2.12
+  134.0963 C9H12N+ 1 134.0964 -0.61
+  153.1384 C9H17N2+ 1 153.1386 -1.36
+  181.1333 C10H17N2O+ 1 181.1335 -1.36
+  209.1283 C11H17N2O2+ 1 209.1285 -0.64
+  230.1498 C10H20N3O3+ 1 230.1499 -0.32
+  245.1645 C15H21N2O+ 5 245.1648 -1.47
+  258.1486 C16H20NO2+ 4 258.1489 -0.9
+  279.1701 C15H23N2O3+ 3 279.1703 -0.91
+  314.1711 C14H24N3O5+ 5 314.171 0.19
+  370.2123 C21H28N3O3+ 4 370.2125 -0.67
+  407.2276 C20H31N4O5+ 4 407.2289 -3.1
+  425.2394 C20H33N4O6+ 5 425.2395 -0.16
+  575.3068 C28H47O12+ 8 575.3062 1.06
+  581.3441 C31H45N6O5+ 6 581.3446 -0.82
+  703.4024 C32H57N5O12+ 7 703.3998 3.72
+  794.4449 C41H60N7O9+ 6 794.4447 0.2
+  893.513 C46H69N8O10+ 1 893.5131 -0.1
+PK$NUM_PEAK: 19
+PK$PEAK: m/z int. rel.int.
+  84.0808 1328394.5 44
+  86.0962 1190599.1 39
+  134.0963 14391893 477
+  153.1384 1186969.1 39
+  181.1333 5914480 196
+  209.1283 16774501 556
+  230.1498 431282 14
+  245.1645 1312562 43
+  258.1486 757246.5 25
+  279.1701 997825.3 33
+  314.1711 327875.4 10
+  370.2123 30094822 999
+  407.2276 400169.2 13
+  425.2394 1068880.5 35
+  575.3068 627092.6 20
+  581.3441 1150665.8 38
+  703.4024 1919555.5 63
+  794.4449 3283234.2 108
+  893.513 372369.2 12
+//
diff --git a/Eawag/MSBNK-MLU-ED064204.txt b/Eawag/MSBNK-MLU-ED064204.txt
new file mode 100644
index 0000000000..839af9007f
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED064204.txt
@@ -0,0 +1,87 @@
+ACCESSION: MSBNK-MLU-ED064204
+RECORD_TITLE: Cyanopeptolin B; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+
+DATE: 2024.04.30
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 642
+CH$NAME: Cyanopeptolin B
+CH$NAME: 4-[[(2S,5S,8S,11R,12S,15S)-15-(4-aminobutyl)-5-benzyl-21-hydroxy-4,11-dimethyl-2-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-3-(hexanoylamino)-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C46H72N8O12
+CH$EXACT_MASS: 928.5269697
+CH$SMILES: CCCCCC(=O)NC(CC(=O)O)C(=O)N[C@H]1[C@H](OC(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](N2C(CCC(C2=O)NC(=O)[C@@H](NC1=O)CCCCN)O)CC(C)C)C)CC3=CC=CC=C3)C(C)C)C
+CH$IUPAC: InChI=1S/C46H72N8O12/c1-8-9-11-19-35(55)48-32(25-37(57)58)41(60)52-39-28(6)66-46(65)38(27(4)5)51-42(61)33(24-29-16-12-10-13-17-29)53(7)45(64)34(23-26(2)3)54-36(56)21-20-31(44(54)63)50-40(59)30(49-43(39)62)18-14-15-22-47/h10,12-13,16-17,26-28,30-34,36,38-39,56H,8-9,11,14-15,18-25,47H2,1-7H3,(H,48,55)(H,49,62)(H,50,59)(H,51,61)(H,52,60)(H,57,58)/t28-,30+,31?,32?,33+,34+,36?,38+,39+/m1/s1
+CH$LINK: PUBCHEM CID:139291933
+CH$LINK: INCHIKEY KSVGOBQTQGOLQM-PLGRJYAQSA-N
+CH$LINK: CHEMSPIDER 78437037
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 64-965
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.861 min
+MS$FOCUSED_ION: BASE_PEAK 957.5422
+MS$FOCUSED_ION: PRECURSOR_M/Z 929.5342
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 165576089.38
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-053r-1962000000-a50df0b50c6b130f0b76
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  84.0445 C4H6NO+ 1 84.0444 0.75
+  84.0808 C5H10N+ 1 84.0808 0.38
+  86.0964 C5H12N+ 1 86.0964 -0.08
+  124.112 C8H14N+ 1 124.1121 -1.01
+  134.0964 C9H12N+ 1 134.0964 -0.5
+  153.1385 C9H17N2+ 1 153.1386 -1.07
+  162.0909 C10H12NO+ 1 162.0913 -2.89
+  181.1334 C10H17N2O+ 1 181.1335 -0.94
+  192.1022 C11H14NO2+ 1 192.1019 1.49
+  209.1283 C11H17N2O2+ 1 209.1285 -0.64
+  230.1497 C10H20N3O3+ 2 230.1499 -1.05
+  245.1646 C15H21N2O+ 5 245.1648 -1.16
+  258.1486 C16H20NO2+ 4 258.1489 -1.02
+  279.17 C15H23N2O3+ 3 279.1703 -1.24
+  314.1709 C14H24N3O5+ 5 314.171 -0.58
+  327.1666 C14H23N4O5+ 4 327.1663 1.06
+  370.2123 C21H28N3O3+ 4 370.2125 -0.67
+  425.2395 C20H33N4O6+ 5 425.2395 0.13
+  680.4145 C38H56N4O7+ 7 680.4144 0.28
+  703.4031 C32H57N5O12+ 6 703.3998 4.67
+  766.4491 C40H60N7O8+ 6 766.4498 -0.85
+  911.523 C46H71N8O11+ 1 911.5237 -0.79
+PK$NUM_PEAK: 22
+PK$PEAK: m/z int. rel.int.
+  84.0445 294163 11
+  84.0808 3942331.2 158
+  86.0964 3936250.8 158
+  124.112 491011.7 19
+  134.0964 24769798 999
+  153.1385 3801340.2 153
+  162.0909 496101.7 20
+  181.1334 14341048 578
+  192.1022 294577.4 11
+  209.1283 24620936 992
+  230.1497 546065.5 22
+  245.1646 3288126.2 132
+  258.1486 1514260.6 61
+  279.17 1363266.9 54
+  314.1709 716422.1 28
+  327.1666 387386.7 15
+  370.2123 13086597 527
+  425.2395 959504.1 38
+  680.4145 410760.5 16
+  703.4031 414933.2 16
+  766.4491 638684.5 25
+  911.523 736790 29
+//
diff --git a/Eawag/MSBNK-MLU-ED064205.txt b/Eawag/MSBNK-MLU-ED064205.txt
new file mode 100644
index 0000000000..974bd8de06
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED064205.txt
@@ -0,0 +1,97 @@
+ACCESSION: MSBNK-MLU-ED064205
+RECORD_TITLE: Cyanopeptolin B; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+
+DATE: 2024.04.30
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 642
+CH$NAME: Cyanopeptolin B
+CH$NAME: 4-[[(2S,5S,8S,11R,12S,15S)-15-(4-aminobutyl)-5-benzyl-21-hydroxy-4,11-dimethyl-2-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-3-(hexanoylamino)-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C46H72N8O12
+CH$EXACT_MASS: 928.5269697
+CH$SMILES: CCCCCC(=O)NC(CC(=O)O)C(=O)N[C@H]1[C@H](OC(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](N2C(CCC(C2=O)NC(=O)[C@@H](NC1=O)CCCCN)O)CC(C)C)C)CC3=CC=CC=C3)C(C)C)C
+CH$IUPAC: InChI=1S/C46H72N8O12/c1-8-9-11-19-35(55)48-32(25-37(57)58)41(60)52-39-28(6)66-46(65)38(27(4)5)51-42(61)33(24-29-16-12-10-13-17-29)53(7)45(64)34(23-26(2)3)54-36(56)21-20-31(44(54)63)50-40(59)30(49-43(39)62)18-14-15-22-47/h10,12-13,16-17,26-28,30-34,36,38-39,56H,8-9,11,14-15,18-25,47H2,1-7H3,(H,48,55)(H,49,62)(H,50,59)(H,51,61)(H,52,60)(H,57,58)/t28-,30+,31?,32?,33+,34+,36?,38+,39+/m1/s1
+CH$LINK: PUBCHEM CID:139291933
+CH$LINK: INCHIKEY KSVGOBQTQGOLQM-PLGRJYAQSA-N
+CH$LINK: CHEMSPIDER 78437037
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 64-965
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.861 min
+MS$FOCUSED_ION: BASE_PEAK 957.5422
+MS$FOCUSED_ION: PRECURSOR_M/Z 929.5342
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 165576089.38
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-001i-3910000000-7956199b3e4af89984d3
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  68.0496 C4H6N+ 1 68.0495 1.69
+  74.0601 C3H8NO+ 1 74.06 0.53
+  84.0444 C4H6NO+ 1 84.0444 0.21
+  84.0808 C5H10N+ 1 84.0808 0.65
+  86.0964 C5H12N+ 1 86.0964 0.28
+  88.0393 C3H6NO2+ 1 88.0393 -0.05
+  119.0729 C8H9N+ 1 119.073 -0.18
+  124.1121 C8H14N+ 1 124.1121 0.28
+  129.1023 C6H13N2O+ 1 129.1022 0.16
+  134.0964 C9H12N+ 1 134.0964 -0.16
+  136.112 C9H14N+ 1 136.1121 -0.34
+  152.1433 C10H18N+ 1 152.1434 -0.41
+  153.1385 C9H17N2+ 1 153.1386 -0.77
+  155.0815 C7H11N2O2+ 1 155.0815 -0.29
+  155.1177 C8H15N2O+ 1 155.1179 -1.32
+  162.0913 C10H12NO+ 1 162.0913 -0.35
+  179.1179 C10H15N2O+ 1 179.1179 0.18
+  181.1334 C10H17N2O+ 1 181.1335 -0.68
+  192.1022 C11H14NO2+ 1 192.1019 1.41
+  199.0711 C8H11N2O4+ 1 199.0713 -0.98
+  209.1284 C11H17N2O2+ 1 209.1285 -0.42
+  230.1499 C10H20N3O3+ 1 230.1499 -0.19
+  245.1647 C15H21N2O+ 4 245.1648 -0.42
+  258.1487 C16H20NO2+ 4 258.1489 -0.43
+  279.1699 C15H23N2O3+ 3 279.1703 -1.67
+  327.1656 C14H23N4O5+ 3 327.1663 -2.02
+  370.2123 C21H28N3O3+ 4 370.2125 -0.59
+PK$NUM_PEAK: 27
+PK$PEAK: m/z int. rel.int.
+  68.0496 2548426 95
+  74.0601 386891.1 14
+  84.0444 522590 19
+  84.0808 7440316.5 277
+  86.0964 12217811 456
+  88.0393 1013303.6 37
+  119.0729 399643.4 14
+  124.1121 2001956.5 74
+  129.1023 3401996 127
+  134.0964 26743052 999
+  136.112 833280.5 31
+  152.1433 270649.3 10
+  153.1385 7285250.5 272
+  155.0815 424211.6 15
+  155.1177 312009.6 11
+  162.0913 731477.4 27
+  179.1179 340298.5 12
+  181.1334 17966838 671
+  192.1022 301965.2 11
+  199.0711 513097.9 19
+  209.1284 8625912 322
+  230.1499 338974.8 12
+  245.1647 1421246.8 53
+  258.1487 1686478.1 62
+  279.1699 295200.7 11
+  327.1656 473108.6 17
+  370.2123 583519.3 21
+//
diff --git a/Eawag/MSBNK-MLU-ED064251.txt b/Eawag/MSBNK-MLU-ED064251.txt
new file mode 100644
index 0000000000..9dd25b7334
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED064251.txt
@@ -0,0 +1,57 @@
+ACCESSION: MSBNK-MLU-ED064251
+RECORD_TITLE: Cyanopeptolin B; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M-H]-
+DATE: 2024.04.30
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 642
+CH$NAME: Cyanopeptolin B
+CH$NAME: 4-[[(2S,5S,8S,11R,12S,15S)-15-(4-aminobutyl)-5-benzyl-21-hydroxy-4,11-dimethyl-2-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-3-(hexanoylamino)-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C46H72N8O12
+CH$EXACT_MASS: 928.5269697
+CH$SMILES: CCCCCC(=O)NC(CC(=O)O)C(=O)N[C@H]1[C@H](OC(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](N2C(CCC(C2=O)NC(=O)[C@@H](NC1=O)CCCCN)O)CC(C)C)C)CC3=CC=CC=C3)C(C)C)C
+CH$IUPAC: InChI=1S/C46H72N8O12/c1-8-9-11-19-35(55)48-32(25-37(57)58)41(60)52-39-28(6)66-46(65)38(27(4)5)51-42(61)33(24-29-16-12-10-13-17-29)53(7)45(64)34(23-26(2)3)54-36(56)21-20-31(44(54)63)50-40(59)30(49-43(39)62)18-14-15-22-47/h10,12-13,16-17,26-28,30-34,36,38-39,56H,8-9,11,14-15,18-25,47H2,1-7H3,(H,48,55)(H,49,62)(H,50,59)(H,51,61)(H,52,60)(H,57,58)/t28-,30+,31?,32?,33+,34+,36?,38+,39+/m1/s1
+CH$LINK: PUBCHEM CID:139291933
+CH$LINK: INCHIKEY KSVGOBQTQGOLQM-PLGRJYAQSA-N
+CH$LINK: CHEMSPIDER 78437037
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 64-965
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.882 min
+MS$FOCUSED_ION: BASE_PEAK 955.5356
+MS$FOCUSED_ION: PRECURSOR_M/Z 927.5197
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 37152733
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-004i-0000000009-b52ede23e642bf0cebea
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  101.0606 C5H9O2- 1 101.0608 -1.89
+  521.2735 C24H37N6O7- 7 521.2729 1.2
+  706.3947 C39H54N4O8- 7 706.3947 -0.02
+  714.4213 C38H58N4O9- 6 714.4209 0.51
+  794.4102 C40H56N7O10- 5 794.4094 0.93
+  909.5098 C46H69N8O11- 1 909.5091 0.74
+  927.5199 C46H71N8O12- 1 927.5197 0.28
+PK$NUM_PEAK: 7
+PK$PEAK: m/z int. rel.int.
+  101.0606 112290.5 17
+  521.2735 645072.1 99
+  706.3947 231228 35
+  714.4213 132687.8 20
+  794.4102 516897.5 79
+  909.5098 2004773.5 307
+  927.5199 6502605.5 999
+//
diff --git a/Eawag/MSBNK-MLU-ED064252.txt b/Eawag/MSBNK-MLU-ED064252.txt
new file mode 100644
index 0000000000..71691fd581
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED064252.txt
@@ -0,0 +1,59 @@
+ACCESSION: MSBNK-MLU-ED064252
+RECORD_TITLE: Cyanopeptolin B; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M-H]-
+DATE: 2024.04.30
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 642
+CH$NAME: Cyanopeptolin B
+CH$NAME: 4-[[(2S,5S,8S,11R,12S,15S)-15-(4-aminobutyl)-5-benzyl-21-hydroxy-4,11-dimethyl-2-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-3-(hexanoylamino)-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C46H72N8O12
+CH$EXACT_MASS: 928.5269697
+CH$SMILES: CCCCCC(=O)NC(CC(=O)O)C(=O)N[C@H]1[C@H](OC(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](N2C(CCC(C2=O)NC(=O)[C@@H](NC1=O)CCCCN)O)CC(C)C)C)CC3=CC=CC=C3)C(C)C)C
+CH$IUPAC: InChI=1S/C46H72N8O12/c1-8-9-11-19-35(55)48-32(25-37(57)58)41(60)52-39-28(6)66-46(65)38(27(4)5)51-42(61)33(24-29-16-12-10-13-17-29)53(7)45(64)34(23-26(2)3)54-36(56)21-20-31(44(54)63)50-40(59)30(49-43(39)62)18-14-15-22-47/h10,12-13,16-17,26-28,30-34,36,38-39,56H,8-9,11,14-15,18-25,47H2,1-7H3,(H,48,55)(H,49,62)(H,50,59)(H,51,61)(H,52,60)(H,57,58)/t28-,30+,31?,32?,33+,34+,36?,38+,39+/m1/s1
+CH$LINK: PUBCHEM CID:139291933
+CH$LINK: INCHIKEY KSVGOBQTQGOLQM-PLGRJYAQSA-N
+CH$LINK: CHEMSPIDER 78437037
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 64-965
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.882 min
+MS$FOCUSED_ION: BASE_PEAK 955.5356
+MS$FOCUSED_ION: PRECURSOR_M/Z 927.5197
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 37152733
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0adi-0000030309-6cfcb722278b6d70d406
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  101.0605 C5H9O2- 1 101.0608 -3.1
+  254.1518 C12H20N3O3- 3 254.151 2.91
+  521.2732 C24H37N6O7- 7 521.2729 0.49
+  714.4204 C38H58N4O9- 7 714.4209 -0.77
+  794.4094 C40H56N7O10- 4 794.4094 0.01
+  795.4143 C40H57N7O10- 1 795.4172 -3.69
+  909.5092 C46H69N8O11- 1 909.5091 0.07
+  927.5193 C46H71N8O12- 1 927.5197 -0.45
+PK$NUM_PEAK: 8
+PK$PEAK: m/z int. rel.int.
+  101.0605 149889.8 57
+  254.1518 48306.8 18
+  521.2732 1491973.6 573
+  714.4204 295090.8 113
+  794.4094 989000.9 380
+  795.4143 49171.8 18
+  909.5092 2597232.2 999
+  927.5193 1366357 525
+//
diff --git a/Eawag/MSBNK-MLU-ED064253.txt b/Eawag/MSBNK-MLU-ED064253.txt
new file mode 100644
index 0000000000..0e177830ea
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED064253.txt
@@ -0,0 +1,87 @@
+ACCESSION: MSBNK-MLU-ED064253
+RECORD_TITLE: Cyanopeptolin B; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M-H]-
+DATE: 2024.04.30
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 642
+CH$NAME: Cyanopeptolin B
+CH$NAME: 4-[[(2S,5S,8S,11R,12S,15S)-15-(4-aminobutyl)-5-benzyl-21-hydroxy-4,11-dimethyl-2-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-3-(hexanoylamino)-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C46H72N8O12
+CH$EXACT_MASS: 928.5269697
+CH$SMILES: CCCCCC(=O)NC(CC(=O)O)C(=O)N[C@H]1[C@H](OC(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](N2C(CCC(C2=O)NC(=O)[C@@H](NC1=O)CCCCN)O)CC(C)C)C)CC3=CC=CC=C3)C(C)C)C
+CH$IUPAC: InChI=1S/C46H72N8O12/c1-8-9-11-19-35(55)48-32(25-37(57)58)41(60)52-39-28(6)66-46(65)38(27(4)5)51-42(61)33(24-29-16-12-10-13-17-29)53(7)45(64)34(23-26(2)3)54-36(56)21-20-31(44(54)63)50-40(59)30(49-43(39)62)18-14-15-22-47/h10,12-13,16-17,26-28,30-34,36,38-39,56H,8-9,11,14-15,18-25,47H2,1-7H3,(H,48,55)(H,49,62)(H,50,59)(H,51,61)(H,52,60)(H,57,58)/t28-,30+,31?,32?,33+,34+,36?,38+,39+/m1/s1
+CH$LINK: PUBCHEM CID:139291933
+CH$LINK: INCHIKEY KSVGOBQTQGOLQM-PLGRJYAQSA-N
+CH$LINK: CHEMSPIDER 78437037
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 64-965
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.882 min
+MS$FOCUSED_ION: BASE_PEAK 955.5356
+MS$FOCUSED_ION: PRECURSOR_M/Z 927.5197
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 37152733
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-052f-0111030902-f08961b33a0ac2a745a9
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  101.0606 C5H9O2- 1 101.0608 -1.89
+  114.091 C4H10N4- 1 114.0911 -0.4
+  116.0702 C3H8N4O- 1 116.0704 -1.47
+  135.0554 C5H5N5- 1 135.055 2.78
+  166.0984 C8H12N3O- 1 166.0986 -0.94
+  169.098 C8H13N2O2- 1 169.0983 -1.58
+  170.0939 C7H12N3O2- 1 170.0935 2.11
+  179.0463 C8H7N2O3- 1 179.0462 0.44
+  223.1088 C11H15N2O3- 1 223.1088 -0.15
+  246.1142 H18N6O9- 3 246.1141 0.48
+  254.1514 C12H20N3O3- 2 254.151 1.41
+  273.1611 C16H21N2O2- 3 273.1609 0.76
+  281.126 C12H17N4O4- 4 281.1255 1.69
+  294.1466 H22N8O10- 5 294.1464 0.4
+  351.1679 C16H23N4O5- 4 351.1674 1.34
+  390.2406 C7H34N8O10- 6 390.2403 0.6
+  485.2778 C27H33N8O- 7 485.2783 -1.03
+  521.2732 C24H37N6O7- 7 521.2729 0.49
+  706.3934 C37H52N7O7- 7 706.3934 -0.02
+  714.4203 C36H56N7O8- 7 714.4196 0.94
+  794.4097 C40H56N7O10- 5 794.4094 0.4
+  909.5094 C46H69N8O11- 1 909.5091 0.34
+PK$NUM_PEAK: 22
+PK$PEAK: m/z int. rel.int.
+  101.0606 50541.5 22
+  114.091 26695.7 11
+  116.0702 34389.6 15
+  135.0554 55135.7 24
+  166.0984 24006.4 10
+  169.098 23676.6 10
+  170.0939 29135.9 13
+  179.0463 200127.3 89
+  223.1088 122776.1 55
+  246.1142 24700 11
+  254.1514 62510.5 28
+  273.1611 44100.4 19
+  281.126 44020 19
+  294.1466 72240.5 32
+  351.1679 442781.1 198
+  390.2406 34422.8 15
+  485.2778 65785.5 29
+  521.2732 996514.9 447
+  706.3934 274505.3 123
+  714.4203 353042.3 158
+  794.4097 2223601.2 999
+  909.5094 915050.2 411
+//
diff --git a/Eawag/MSBNK-MLU-ED064254.txt b/Eawag/MSBNK-MLU-ED064254.txt
new file mode 100644
index 0000000000..f853a3032f
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED064254.txt
@@ -0,0 +1,127 @@
+ACCESSION: MSBNK-MLU-ED064254
+RECORD_TITLE: Cyanopeptolin B; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M-H]-
+DATE: 2024.04.30
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 642
+CH$NAME: Cyanopeptolin B
+CH$NAME: 4-[[(2S,5S,8S,11R,12S,15S)-15-(4-aminobutyl)-5-benzyl-21-hydroxy-4,11-dimethyl-2-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-3-(hexanoylamino)-4-oxobutanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C46H72N8O12
+CH$EXACT_MASS: 928.5269697
+CH$SMILES: CCCCCC(=O)NC(CC(=O)O)C(=O)N[C@H]1[C@H](OC(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](N2C(CCC(C2=O)NC(=O)[C@@H](NC1=O)CCCCN)O)CC(C)C)C)CC3=CC=CC=C3)C(C)C)C
+CH$IUPAC: InChI=1S/C46H72N8O12/c1-8-9-11-19-35(55)48-32(25-37(57)58)41(60)52-39-28(6)66-46(65)38(27(4)5)51-42(61)33(24-29-16-12-10-13-17-29)53(7)45(64)34(23-26(2)3)54-36(56)21-20-31(44(54)63)50-40(59)30(49-43(39)62)18-14-15-22-47/h10,12-13,16-17,26-28,30-34,36,38-39,56H,8-9,11,14-15,18-25,47H2,1-7H3,(H,48,55)(H,49,62)(H,50,59)(H,51,61)(H,52,60)(H,57,58)/t28-,30+,31?,32?,33+,34+,36?,38+,39+/m1/s1
+CH$LINK: PUBCHEM CID:139291933
+CH$LINK: INCHIKEY KSVGOBQTQGOLQM-PLGRJYAQSA-N
+CH$LINK: CHEMSPIDER 78437037
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 64-965
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.882 min
+MS$FOCUSED_ION: BASE_PEAK 955.5356
+MS$FOCUSED_ION: PRECURSOR_M/Z 927.5197
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 37152733
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-006x-0762022900-24d60a3e3a8d86d20683
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  69.0331 C2H3N3- 1 69.0332 -2.77
+  96.0074 C2N4O- 1 96.0078 -3.7
+  99.0548 C2H5N5- 1 99.055 -2.45
+  110.0232 C3H2N4O- 1 110.0234 -2.24
+  114.0909 C4H10N4- 1 114.0911 -1.27
+  116.0703 C3H8N4O- 1 116.0704 -0.41
+  123.0439 C5H5N3O- 1 123.0438 0.89
+  135.0556 C5H5N5- 1 135.055 4.03
+  136.0395 C5H4N4O- 1 136.0391 3.06
+  136.0761 C8H10NO- 1 136.0768 -4.84
+  140.0348 C6H6NO3- 1 140.0353 -3.41
+  142.0506 C6H8NO3- 1 142.051 -2.63
+  162.0559 C9H8NO2- 1 162.0561 -1.08
+  166.098 C8H12N3O- 2 166.0986 -3.61
+  167.0824 C8H11N2O2- 1 167.0826 -1.38
+  169.0982 C8H13N2O2- 1 169.0983 -0.22
+  170.0933 C7H12N3O2- 1 170.0935 -1.03
+  178.0871 C10H12NO2- 1 178.0874 -1.48
+  179.0463 C8H7N2O3- 1 179.0462 0.53
+  179.1192 C10H15N2O- 1 179.119 1.36
+  180.1141 C9H14N3O- 1 180.1142 -0.78
+  184.1087 C8H14N3O2- 1 184.1092 -2.27
+  223.109 C11H15N2O3- 1 223.1088 0.95
+  226.1192 C10H16N3O3- 2 226.1197 -2.38
+  227.1144 C9H15N4O3- 3 227.115 -2.61
+  238.1556 C12H20N3O2- 2 238.1561 -1.96
+  250.156 C13H20N3O2- 2 250.1561 -0.4
+  254.1516 C12H20N3O3- 3 254.151 2.43
+  273.1609 C16H21N2O2- 3 273.1609 0.31
+  277.1556 C15H21N2O3- 3 277.1558 -0.45
+  281.1257 C12H17N4O4- 3 281.1255 0.6
+  293.1522 C16H17N6- 4 293.152 0.52
+  294.1466 H22N8O10- 5 294.1464 0.4
+  337.1519 C15H21N4O5- 5 337.1517 0.46
+  351.1679 C16H23N4O5- 4 351.1674 1.51
+  354.214 C16H28N5O4- 3 354.2147 -1.81
+  485.2774 C27H33N8O- 7 485.2783 -1.85
+  521.2729 C24H37N6O7- 5 521.2729 -0.09
+  631.3825 C32H51N6O7- 8 631.3825 0.04
+  714.419 C36H56N7O8- 7 714.4196 -0.77
+  794.4097 C40H56N7O10- 5 794.4094 0.32
+  909.5073 C46H69N8O11- 1 909.5091 -2.01
+PK$NUM_PEAK: 42
+PK$PEAK: m/z int. rel.int.
+  69.0331 13404.2 10
+  96.0074 31061.4 23
+  99.0548 33571 25
+  110.0232 17635.8 13
+  114.0909 78101.9 59
+  116.0703 147706.3 112
+  123.0439 38171.1 29
+  135.0556 178546.7 136
+  136.0395 24319.5 18
+  136.0761 17266.9 13
+  140.0348 41251.1 31
+  142.0506 28142 21
+  162.0559 28365.3 21
+  166.098 52042.3 39
+  167.0824 21830.8 16
+  169.0982 100197.9 76
+  170.0933 97614.9 74
+  178.0871 22524.3 17
+  179.0463 332276.6 253
+  179.1192 68707.3 52
+  180.1141 36153.1 27
+  184.1087 38754.3 29
+  223.109 217912.4 166
+  226.1192 27229.8 20
+  227.1144 44589.4 34
+  238.1556 27287.5 20
+  250.156 14362.5 10
+  254.1516 70316 53
+  273.1609 215132.4 164
+  277.1556 261434.7 199
+  281.1257 85522.4 65
+  293.1522 87865.2 67
+  294.1466 33799.9 25
+  337.1519 21949.6 16
+  351.1679 378193.1 288
+  354.214 28086.1 21
+  485.2774 127572.1 97
+  521.2729 449701 343
+  631.3825 429429.1 327
+  714.419 240286.8 183
+  794.4097 1309153 999
+  909.5073 81683.2 62
+//
diff --git a/Eawag/MSBNK-MLU-ED065301.txt b/Eawag/MSBNK-MLU-ED065301.txt
new file mode 100644
index 0000000000..b924416f1b
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED065301.txt
@@ -0,0 +1,64 @@
+ACCESSION: MSBNK-MLU-ED065301
+RECORD_TITLE: Brunsvicamide B; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Mueller [dtc], G. M. Koenig  [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 653
+CH$NAME: Brunsvicamide B
+CH$NAME: (((3S,6S,9S,12S,15S)-6-((1H-indol-3-yl)methyl)-3-benzyl-12-((S)-sec-butyl)-9-isobutyl-7-methyl-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentaazacyclononadecan-15-yl)carbamoyl)-D-isoleucine
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C46H66N8O8
+CH$EXACT_MASS: 858.5003611
+CH$SMILES: CC[C@H]([C@H](C(O)=O)NC(N[C@@H]1C(N[C@H](C(N[C@H](C(N([C@H](C(N[C@H](C(NCCCC1)=O)CC2=CC=CC=C2)=O)CC3=CNC4=CC=CC=C43)C)=O)CC(C)C)=O)[C@H](CC)C)=O)=O)C
+CH$IUPAC: InChI=1S/C46H66N8O8/c1-8-28(5)38-43(58)50-36(23-27(3)4)44(59)54(7)37(25-31-26-48-33-20-14-13-19-32(31)33)42(57)49-35(24-30-17-11-10-12-18-30)40(55)47-22-16-15-21-34(41(56)52-38)51-46(62)53-39(45(60)61)29(6)9-2/h10-14,17-20,26-29,34-39,48H,8-9,15-16,21-25H2,1-7H3,(H,47,55)(H,49,57)(H,50,58)(H,52,56)(H,60,61)(H2,51,53,62)/t28-,29+,34-,35-,36-,37-,38-,39+/m0/s1
+CH$LINK: PUBCHEM CID:146682040
+CH$LINK: INCHIKEY CLAPAZQQSRVIAI-IRIVFKDGSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 59-895
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.668 min
+MS$FOCUSED_ION: BASE_PEAK 859.5075
+MS$FOCUSED_ION: PRECURSOR_M/Z 859.5076
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 1111478044.16
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0a4i-0000000190-4cb6eff7fbe2a1fa3824
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  314.1868 C4H26N8O8+ 3 314.1868 -0.15
+  348.1725 C23H24O3+ 2 348.172 1.44
+  427.2699 C24H35N4O3+ 4 427.2704 -0.99
+  633.3395 C34H45N6O6+ 4 633.3395 0
+  702.4337 C41H58N4O6+ 5 702.4351 -1.98
+  728.4132 C40H54N7O6+ 4 728.413 0.25
+  730.4497 C37H60N7O8+ 2 730.4498 -0.13
+  746.423 C40H56N7O7+ 3 746.4236 -0.74
+  831.5134 C45H67N8O7+ 1 831.5127 0.87
+  841.4986 C46H65N8O7+ 1 841.4971 1.84
+  859.5077 C46H67N8O8+ 1 859.5076 0.11
+PK$NUM_PEAK: 11
+PK$PEAK: m/z int. rel.int.
+  314.1868 13803829 29
+  348.1725 7511686.5 16
+  427.2699 4849950.5 10
+  633.3395 7229803 15
+  702.4337 36332700 78
+  728.4132 33553044 72
+  730.4497 8158873 17
+  746.423 13810653 29
+  831.5134 13491786 28
+  841.4986 10782940 23
+  859.5077 465015360 999
+//
diff --git a/Eawag/MSBNK-MLU-ED065302.txt b/Eawag/MSBNK-MLU-ED065302.txt
new file mode 100644
index 0000000000..5eedc6139f
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED065302.txt
@@ -0,0 +1,112 @@
+ACCESSION: MSBNK-MLU-ED065302
+RECORD_TITLE: Brunsvicamide B; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Mueller [dtc], G. M. Koenig  [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 653
+CH$NAME: Brunsvicamide B
+CH$NAME: (((3S,6S,9S,12S,15S)-6-((1H-indol-3-yl)methyl)-3-benzyl-12-((S)-sec-butyl)-9-isobutyl-7-methyl-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentaazacyclononadecan-15-yl)carbamoyl)-D-isoleucine
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C46H66N8O8
+CH$EXACT_MASS: 858.5003611
+CH$SMILES: CC[C@H]([C@H](C(O)=O)NC(N[C@@H]1C(N[C@H](C(N[C@H](C(N([C@H](C(N[C@H](C(NCCCC1)=O)CC2=CC=CC=C2)=O)CC3=CNC4=CC=CC=C43)C)=O)CC(C)C)=O)[C@H](CC)C)=O)=O)C
+CH$IUPAC: InChI=1S/C46H66N8O8/c1-8-28(5)38-43(58)50-36(23-27(3)4)44(59)54(7)37(25-31-26-48-33-20-14-13-19-32(31)33)42(57)49-35(24-30-17-11-10-12-18-30)40(55)47-22-16-15-21-34(41(56)52-38)51-46(62)53-39(45(60)61)29(6)9-2/h10-14,17-20,26-29,34-39,48H,8-9,15-16,21-25H2,1-7H3,(H,47,55)(H,49,57)(H,50,58)(H,52,56)(H,60,61)(H2,51,53,62)/t28-,29+,34-,35-,36-,37-,38-,39+/m0/s1
+CH$LINK: PUBCHEM CID:146682040
+CH$LINK: INCHIKEY CLAPAZQQSRVIAI-IRIVFKDGSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 59-895
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.668 min
+MS$FOCUSED_ION: BASE_PEAK 859.5075
+MS$FOCUSED_ION: PRECURSOR_M/Z 859.5076
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 1111478044.16
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0a6r-0112112970-dbfe7099912174bb0909
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  84.0808 C5H10N+ 1 84.0808 0.2
+  155.1172 C8H15N2O+ 2 155.1179 -4.67
+  173.1069 C11H13N2+ 1 173.1073 -2.64
+  185.1282 C9H17N2O2+ 1 185.1285 -1.6
+  201.1019 C12H13N2O+ 1 201.1022 -1.66
+  229.0968 C13H13N2O2+ 2 229.0972 -1.41
+  231.1488 C14H19N2O+ 3 231.1492 -1.64
+  298.2125 C15H28N3O3+ 3 298.2125 0.09
+  314.1868 C4H26N8O8+ 3 314.1868 -0.05
+  355.2725 C20H37NO4+ 2 355.2717 2.12
+  399.2609 C20H31N8O+ 4 399.2615 -1.61
+  405.2505 C22H29N8+ 4 405.251 -1.13
+  427.2705 C24H35N4O3+ 4 427.2704 0.3
+  431.2441 C26H31N4O2+ 4 431.2442 -0.16
+  433.2448 C22H33N4O5+ 4 433.2445 0.54
+  461.2557 C29H35NO4+ 3 461.2561 -0.74
+  494.2772 C27H36N5O4+ 5 494.2762 2
+  500.3238 C27H42N5O4+ 5 500.3231 1.25
+  520.2557 C28H34N5O5+ 4 520.2554 0.58
+  528.3164 C26H40N8O4+ 4 528.3167 -0.6
+  546.3286 C28H44N5O6+ 5 546.3286 -0.04
+  599.355 C31H47N6O6+ 5 599.3552 -0.28
+  605.3446 C33H45N6O5+ 5 605.3446 0.04
+  615.3331 C39H43N4O3+ 6 615.333 0.2
+  633.3394 C34H45N6O6+ 5 633.3395 -0.1
+  697.3699 C39H49N6O6+ 3 697.3708 -1.28
+  700.4192 C41H56N4O6+ 5 700.4194 -0.29
+  702.4346 C41H58N4O6+ 6 702.4351 -0.76
+  712.4371 C37H58N7O7+ 3 712.4392 -3.04
+  728.413 C40H54N7O6+ 4 728.413 0
+  730.449 C37H60N7O8+ 2 730.4498 -1.13
+  746.4238 C40H56N7O7+ 3 746.4236 0.24
+  831.5136 C45H67N8O7+ 1 831.5127 1.02
+  841.4969 C46H65N8O7+ 1 841.4971 -0.26
+  859.5079 C46H67N8O8+ 1 859.5076 0.32
+PK$NUM_PEAK: 35
+PK$PEAK: m/z int. rel.int.
+  84.0808 15871716 120
+  155.1172 2518908 19
+  173.1069 16894170 127
+  185.1282 5293036.5 40
+  201.1019 6964239.5 52
+  229.0968 14214647 107
+  231.1488 7110177 53
+  298.2125 3179010.8 24
+  314.1868 42313816 320
+  355.2725 1984384.6 15
+  399.2609 3773543.5 28
+  405.2505 3931509.2 29
+  427.2705 18478930 139
+  431.2441 3897400 29
+  433.2448 5129078.5 38
+  461.2557 1559200 11
+  494.2772 4605829.5 34
+  500.3238 1657322.6 12
+  520.2557 15022221 113
+  528.3164 6501506 49
+  546.3286 4683832.5 35
+  599.355 5399576 40
+  605.3446 16262862 123
+  615.3331 11341106 85
+  633.3394 22450374 169
+  697.3699 2014495.9 15
+  700.4192 9632548 72
+  702.4346 52881864 400
+  712.4371 4055360.8 30
+  728.413 59839316 452
+  730.449 9032338 68
+  746.4238 61802516 467
+  831.5136 21053968 159
+  841.4969 7709666.5 58
+  859.5079 131966368 999
+//
diff --git a/Eawag/MSBNK-MLU-ED065303.txt b/Eawag/MSBNK-MLU-ED065303.txt
new file mode 100644
index 0000000000..b9ecf58cff
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED065303.txt
@@ -0,0 +1,160 @@
+ACCESSION: MSBNK-MLU-ED065303
+RECORD_TITLE: Brunsvicamide B; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Mueller [dtc], G. M. Koenig  [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 653
+CH$NAME: Brunsvicamide B
+CH$NAME: (((3S,6S,9S,12S,15S)-6-((1H-indol-3-yl)methyl)-3-benzyl-12-((S)-sec-butyl)-9-isobutyl-7-methyl-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentaazacyclononadecan-15-yl)carbamoyl)-D-isoleucine
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C46H66N8O8
+CH$EXACT_MASS: 858.5003611
+CH$SMILES: CC[C@H]([C@H](C(O)=O)NC(N[C@@H]1C(N[C@H](C(N[C@H](C(N([C@H](C(N[C@H](C(NCCCC1)=O)CC2=CC=CC=C2)=O)CC3=CNC4=CC=CC=C43)C)=O)CC(C)C)=O)[C@H](CC)C)=O)=O)C
+CH$IUPAC: InChI=1S/C46H66N8O8/c1-8-28(5)38-43(58)50-36(23-27(3)4)44(59)54(7)37(25-31-26-48-33-20-14-13-19-32(31)33)42(57)49-35(24-30-17-11-10-12-18-30)40(55)47-22-16-15-21-34(41(56)52-38)51-46(62)53-39(45(60)61)29(6)9-2/h10-14,17-20,26-29,34-39,48H,8-9,15-16,21-25H2,1-7H3,(H,47,55)(H,49,57)(H,50,58)(H,52,56)(H,60,61)(H2,51,53,62)/t28-,29+,34-,35-,36-,37-,38-,39+/m0/s1
+CH$LINK: PUBCHEM CID:146682040
+CH$LINK: INCHIKEY CLAPAZQQSRVIAI-IRIVFKDGSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 59-895
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.668 min
+MS$FOCUSED_ION: BASE_PEAK 859.5075
+MS$FOCUSED_ION: PRECURSOR_M/Z 859.5076
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 1111478044.16
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-007k-2549243400-164343e13e8707b8ff33
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  84.0808 C5H10N+ 1 84.0808 0.38
+  100.0393 C4H6NO2+ 1 100.0393 -0.04
+  129.1021 C6H13N2O+ 1 129.1022 -0.88
+  155.1177 C8H15N2O+ 1 155.1179 -1.52
+  170.0594 C11H8NO+ 2 170.06 -3.85
+  173.1071 C11H13N2+ 1 173.1073 -1.4
+  185.1284 C9H17N2O2+ 1 185.1285 -0.36
+  189.1019 C11H13N2O+ 1 189.1022 -1.85
+  197.1651 C11H21N2O+ 1 197.1648 1.5
+  201.1022 C12H13N2O+ 1 201.1022 -0.29
+  219.1125 C12H15N2O2+ 2 219.1128 -1.33
+  227.1745 C12H23N2O2+ 2 227.1754 -4.02
+  229.0968 C13H13N2O2+ 2 229.0972 -1.61
+  231.1487 C14H19N2O+ 3 231.1492 -2.04
+  240.1705 C12H22N3O2+ 1 240.1707 -0.56
+  261.1596 C15H21N2O2+ 3 261.1598 -0.41
+  298.2127 C15H28N3O3+ 2 298.2125 0.61
+  300.1713 C3H24N8O8+ 3 300.1712 0.3
+  314.1868 C4H26N8O8+ 3 314.1868 0.04
+  317.1294 C6H19N7O8+ 2 317.129 1.29
+  320.1781 C8H26N5O8+ 2 320.1776 1.56
+  337.2608 C20H35NO3+ 2 337.2611 -1.03
+  348.1717 C23H24O3+ 3 348.172 -0.93
+  355.2707 C20H37NO4+ 4 355.2717 -2.86
+  361.2614 C22H35NO3+ 2 361.2611 0.6
+  371.2669 C21H33N5O+ 4 371.268 -2.93
+  381.2504 C20H29N8+ 3 381.251 -1.54
+  387.2399 C23H33NO4+ 3 387.2404 -1.42
+  389.255 C21H33N4O3+ 4 389.2547 0.69
+  391.1966 C19H27N4O5+ 3 391.1976 -2.53
+  399.2613 C20H31N8O+ 4 399.2615 -0.62
+  403.1978 C20H27N4O5+ 4 403.1976 0.6
+  405.2506 C22H29N8+ 4 405.251 -0.98
+  415.2308 C19H33N3O7+ 5 415.2313 -1.23
+  425.2179 C23H29N4O4+ 5 425.2183 -0.97
+  431.2446 C26H31N4O2+ 4 431.2442 1.11
+  433.2447 C22H33N4O5+ 4 433.2445 0.47
+  486.2705 C25H36N5O5+ 4 486.2711 -1.25
+  494.276 C27H36N5O4+ 5 494.2762 -0.47
+  500.324 C29H44N2O5+ 5 500.3245 -1
+  518.3331 C27H44N5O5+ 4 518.3337 -1.18
+  520.2557 C28H34N5O5+ 4 520.2554 0.58
+  546.329 C28H44N5O6+ 5 546.3286 0.63
+  561.3562 C32H45N6O3+ 5 561.3548 2.62
+  571.3593 C32H49N3O6+ 4 571.3616 -4
+  599.3552 C31H47N6O6+ 5 599.3552 0.03
+  602.297 C31H38N8O5+ 4 602.296 1.73
+  605.3452 C33H45N6O5+ 4 605.3446 0.95
+  615.3331 C39H43N4O3+ 6 615.333 0.2
+  617.3619 C42H49O4+ 4 617.3625 -1.03
+  633.3393 C34H45N6O6+ 5 633.3395 -0.29
+  697.3712 C39H49N6O6+ 4 697.3708 0.56
+  700.419 C41H56N4O6+ 5 700.4194 -0.64
+  702.4357 C41H58N4O6+ 6 702.4351 0.89
+  728.4134 C40H54N7O6+ 4 728.413 0.51
+  730.4499 C37H60N7O8+ 2 730.4498 0.12
+  746.4237 C40H56N7O7+ 3 746.4236 0.16
+  831.5129 C45H67N8O7+ 1 831.5127 0.21
+  859.5086 C46H67N8O8+ 1 859.5076 1.1
+PK$NUM_PEAK: 59
+PK$PEAK: m/z int. rel.int.
+  84.0808 41148024 570
+  100.0393 1595411.2 22
+  129.1021 2212924 30
+  155.1177 6609723 91
+  170.0594 1679957.9 23
+  173.1071 46075356 639
+  185.1284 12615045 174
+  189.1019 4542857.5 63
+  197.1651 1089604.2 15
+  201.1022 18758560 260
+  219.1125 1458659.8 20
+  227.1745 2592213.5 35
+  229.0968 20083156 278
+  231.1487 16742120 232
+  240.1705 816495.8 11
+  261.1596 1260583 17
+  298.2127 8228858 114
+  300.1713 1067763.6 14
+  314.1868 24053958 333
+  317.1294 2617391.8 36
+  320.1781 12852878 178
+  337.2608 797627.3 11
+  348.1717 72022800 999
+  355.2707 2498160.8 34
+  361.2614 747861.6 10
+  371.2669 1652003.8 22
+  381.2504 3366487 46
+  387.2399 2395608 33
+  389.255 944534.5 13
+  391.1966 1844676.8 25
+  399.2613 7071634.5 98
+  403.1978 770362 10
+  405.2506 7215691.5 100
+  415.2308 2925457 40
+  425.2179 1994951.9 27
+  431.2446 3227452 44
+  433.2447 8679202 120
+  486.2705 4008267.2 55
+  494.276 2751551.5 38
+  500.324 9874760 136
+  518.3331 2515419 34
+  520.2557 26524950 367
+  546.329 8326670.5 115
+  561.3562 2278932 31
+  571.3593 4367189.5 60
+  599.3552 5804101 80
+  602.297 2337518.5 32
+  605.3452 14664134 203
+  615.3331 8710625 120
+  617.3619 3547241.5 49
+  633.3393 14836354 205
+  697.3712 1380698.2 19
+  700.419 8865798 122
+  702.4357 14868267 206
+  728.4134 13628099 189
+  730.4499 1309938 18
+  746.4237 30024372 416
+  831.5129 4061897.2 56
+  859.5086 7230565.5 100
+//
diff --git a/Eawag/MSBNK-MLU-ED065304.txt b/Eawag/MSBNK-MLU-ED065304.txt
new file mode 100644
index 0000000000..817b4eeeed
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED065304.txt
@@ -0,0 +1,136 @@
+ACCESSION: MSBNK-MLU-ED065304
+RECORD_TITLE: Brunsvicamide B; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Mueller [dtc], G. M. Koenig  [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 653
+CH$NAME: Brunsvicamide B
+CH$NAME: (((3S,6S,9S,12S,15S)-6-((1H-indol-3-yl)methyl)-3-benzyl-12-((S)-sec-butyl)-9-isobutyl-7-methyl-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentaazacyclononadecan-15-yl)carbamoyl)-D-isoleucine
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C46H66N8O8
+CH$EXACT_MASS: 858.5003611
+CH$SMILES: CC[C@H]([C@H](C(O)=O)NC(N[C@@H]1C(N[C@H](C(N[C@H](C(N([C@H](C(N[C@H](C(NCCCC1)=O)CC2=CC=CC=C2)=O)CC3=CNC4=CC=CC=C43)C)=O)CC(C)C)=O)[C@H](CC)C)=O)=O)C
+CH$IUPAC: InChI=1S/C46H66N8O8/c1-8-28(5)38-43(58)50-36(23-27(3)4)44(59)54(7)37(25-31-26-48-33-20-14-13-19-32(31)33)42(57)49-35(24-30-17-11-10-12-18-30)40(55)47-22-16-15-21-34(41(56)52-38)51-46(62)53-39(45(60)61)29(6)9-2/h10-14,17-20,26-29,34-39,48H,8-9,15-16,21-25H2,1-7H3,(H,47,55)(H,49,57)(H,50,58)(H,52,56)(H,60,61)(H2,51,53,62)/t28-,29+,34-,35-,36-,37-,38-,39+/m0/s1
+CH$LINK: PUBCHEM CID:146682040
+CH$LINK: INCHIKEY CLAPAZQQSRVIAI-IRIVFKDGSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 59-895
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.668 min
+MS$FOCUSED_ION: BASE_PEAK 859.5075
+MS$FOCUSED_ION: PRECURSOR_M/Z 859.5076
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 1111478044.16
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00e9-5956130000-0156e182f16f1f42c0d9
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  84.0808 C5H10N+ 1 84.0808 0.47
+  86.0961 C5H12N+ 1 86.0964 -3.59
+  100.0393 C4H6NO2+ 1 100.0393 -0.35
+  120.0804 C8H10N+ 1 120.0808 -3.01
+  129.1022 C6H13N2O+ 1 129.1022 -0.17
+  130.0646 C9H8N+ 1 130.0651 -3.97
+  153.1022 C8H13N2O+ 1 153.1022 -0.01
+  154.159 C10H20N+ 1 154.159 -0.15
+  155.1178 C8H15N2O+ 1 155.1179 -0.73
+  170.0601 C11H8NO+ 1 170.06 0.28
+  173.1072 C11H13N2+ 1 173.1073 -0.87
+  185.1283 C9H17N2O2+ 1 185.1285 -0.69
+  189.102 C11H13N2O+ 1 189.1022 -1.04
+  197.1644 C11H21N2O+ 2 197.1648 -1.99
+  201.1021 C12H13N2O+ 1 201.1022 -0.67
+  203.118 C12H15N2O+ 1 203.1179 0.69
+  217.0974 C12H13N2O2+ 1 217.0972 0.98
+  227.1753 C12H23N2O2+ 1 227.1754 -0.52
+  229.0969 C13H13N2O2+ 2 229.0972 -1.14
+  231.1488 C14H19N2O+ 3 231.1492 -1.71
+  233.1645 C14H21N2O+ 3 233.1648 -1.43
+  240.1703 C12H22N3O2+ 2 240.1707 -1.45
+  261.1598 C15H21N2O2+ 2 261.1598 0.29
+  294.1818 C15H24N3O3+ 2 294.1812 2.05
+  298.2129 C15H28N3O3+ 2 298.2125 1.22
+  299.2116 C19H27N2O+ 3 299.2118 -0.49
+  300.171 C3H24N8O8+ 3 300.1712 -0.41
+  314.187 C4H26N8O8+ 3 314.1868 0.72
+  317.1292 C6H19N7O8+ 2 317.129 0.81
+  320.178 C8H26N5O8+ 2 320.1776 1.18
+  348.1716 C23H24O3+ 3 348.172 -1.11
+  353.2557 C20H35NO4+ 3 353.2561 -1.09
+  381.2507 C20H29N8+ 4 381.251 -0.65
+  387.2399 C23H33NO4+ 3 387.2404 -1.42
+  389.2542 C21H33N4O3+ 4 389.2547 -1.42
+  391.199 C19H27N4O5+ 4 391.1976 3.47
+  403.1977 C20H27N4O5+ 4 403.1976 0.37
+  405.2501 C21H33N4O4+ 5 405.2496 1.27
+  425.2185 C23H29N4O4+ 5 425.2183 0.32
+  433.2447 C22H33N4O5+ 4 433.2445 0.4
+  486.2713 C25H36N5O5+ 3 486.2711 0.38
+  500.3236 C27H42N5O4+ 5 500.3231 0.89
+  502.2623 C20H36N7O8+ 4 502.262 0.52
+  520.2556 C28H34N5O5+ 4 520.2554 0.22
+  546.329 C28H44N5O6+ 5 546.3286 0.74
+  571.3599 C32H49N3O6+ 4 571.3616 -3.04
+  746.4224 C40H56N7O7+ 2 746.4236 -1.55
+PK$NUM_PEAK: 47
+PK$PEAK: m/z int. rel.int.
+  84.0808 93321760 999
+  86.0961 7829885 83
+  100.0393 5899384.5 63
+  120.0804 6072464.5 65
+  129.1022 8262050.5 88
+  130.0646 4347327 46
+  153.1022 981219.9 10
+  154.159 1030235.6 11
+  155.1178 13204739 141
+  170.0601 6151106 65
+  173.1072 93283056 998
+  185.1283 18205880 194
+  189.102 19700760 210
+  197.1644 2734665 29
+  201.1021 35389508 378
+  203.118 1390227 14
+  217.0974 1146477.2 12
+  227.1753 8598682 92
+  229.0969 16655175 178
+  231.1488 26892578 287
+  233.1645 1625635.2 17
+  240.1703 3435898 36
+  261.1598 2758987.2 29
+  294.1818 955641.2 10
+  298.2129 10890613 116
+  299.2116 1272936.5 13
+  300.171 1257179.1 13
+  314.187 10385655 111
+  317.1292 5727604 61
+  320.178 26744504 286
+  348.1716 60303132 645
+  353.2557 7323350 78
+  381.2507 3558743.8 38
+  387.2399 7294617 78
+  389.2542 2015402.4 21
+  391.199 4944473.5 52
+  403.1977 1643673.1 17
+  405.2501 10354662 110
+  425.2185 5526198 59
+  433.2447 11897962 127
+  486.2713 4307783 46
+  500.3236 14939261 159
+  502.2623 1983113.5 21
+  520.2556 33706584 360
+  546.329 6754677 72
+  571.3599 5757690.5 61
+  746.4224 3552818 38
+//
diff --git a/Eawag/MSBNK-MLU-ED065305.txt b/Eawag/MSBNK-MLU-ED065305.txt
new file mode 100644
index 0000000000..a0c87a46b6
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED065305.txt
@@ -0,0 +1,154 @@
+ACCESSION: MSBNK-MLU-ED065305
+RECORD_TITLE: Brunsvicamide B; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Mueller [dtc], G. M. Koenig  [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 653
+CH$NAME: Brunsvicamide B
+CH$NAME: (((3S,6S,9S,12S,15S)-6-((1H-indol-3-yl)methyl)-3-benzyl-12-((S)-sec-butyl)-9-isobutyl-7-methyl-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentaazacyclononadecan-15-yl)carbamoyl)-D-isoleucine
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C46H66N8O8
+CH$EXACT_MASS: 858.5003611
+CH$SMILES: CC[C@H]([C@H](C(O)=O)NC(N[C@@H]1C(N[C@H](C(N[C@H](C(N([C@H](C(N[C@H](C(NCCCC1)=O)CC2=CC=CC=C2)=O)CC3=CNC4=CC=CC=C43)C)=O)CC(C)C)=O)[C@H](CC)C)=O)=O)C
+CH$IUPAC: InChI=1S/C46H66N8O8/c1-8-28(5)38-43(58)50-36(23-27(3)4)44(59)54(7)37(25-31-26-48-33-20-14-13-19-32(31)33)42(57)49-35(24-30-17-11-10-12-18-30)40(55)47-22-16-15-21-34(41(56)52-38)51-46(62)53-39(45(60)61)29(6)9-2/h10-14,17-20,26-29,34-39,48H,8-9,15-16,21-25H2,1-7H3,(H,47,55)(H,49,57)(H,50,58)(H,52,56)(H,60,61)(H2,51,53,62)/t28-,29+,34-,35-,36-,37-,38-,39+/m0/s1
+CH$LINK: PUBCHEM CID:146682040
+CH$LINK: INCHIKEY CLAPAZQQSRVIAI-IRIVFKDGSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 59-895
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.668 min
+MS$FOCUSED_ION: BASE_PEAK 859.5075
+MS$FOCUSED_ION: PRECURSOR_M/Z 859.5076
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 1111478044.16
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00e9-4921000000-c95aa89eb717cefe22b2
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  72.0444 C3H6NO+ 1 72.0444 0.43
+  84.0808 C5H10N+ 1 84.0808 0.74
+  86.0965 C5H12N+ 1 86.0964 0.3
+  100.0394 C4H6NO2+ 1 100.0393 0.65
+  112.112 C7H14N+ 1 112.1121 -0.59
+  118.0652 C8H8N+ 1 118.0651 0.35
+  120.0807 C8H10N+ 1 120.0808 -0.28
+  129.1022 C6H13N2O+ 1 129.1022 -0.05
+  130.0651 C9H8N+ 1 130.0651 -0.1
+  132.0808 C9H10N+ 1 132.0808 0.11
+  132.1019 C6H14NO2+ 1 132.1019 -0.21
+  144.0807 C10H10N+ 1 144.0808 -0.62
+  153.1023 C8H13N2O+ 1 153.1022 0.38
+  154.1588 C10H20N+ 1 154.159 -1.24
+  155.0817 C7H11N2O2+ 1 155.0815 1.09
+  155.1178 C8H15N2O+ 1 155.1179 -0.63
+  170.06 C11H8NO+ 1 170.06 -0.26
+  173.0928 C7H13N2O3+ 1 173.0921 4.4
+  173.1072 C11H13N2+ 1 173.1073 -0.96
+  183.0913 C12H11N2+ 1 183.0917 -1.98
+  185.1284 C9H17N2O2+ 1 185.1285 -0.44
+  188.1434 C13H18N+ 1 188.1434 0.11
+  189.1021 C11H13N2O+ 1 189.1022 -0.56
+  191.118 C11H15N2O+ 1 191.1179 0.33
+  197.165 C11H21N2O+ 1 197.1648 0.72
+  199.1804 C11H23N2O+ 1 199.1805 -0.66
+  201.1021 C12H13N2O+ 1 201.1022 -0.52
+  203.1179 C12H15N2O+ 1 203.1179 0.24
+  214.1911 C11H24N3O+ 1 214.1914 -1.22
+  219.1127 C12H15N2O2+ 1 219.1128 -0.57
+  223.1434 C10H17N5O+ 2 223.1428 2.77
+  227.1748 C12H23N2O2+ 2 227.1754 -2.88
+  229.0967 C13H13N2O2+ 2 229.0972 -1.81
+  231.1488 C14H19N2O+ 3 231.1492 -1.51
+  233.1643 C14H21N2O+ 3 233.1648 -2.48
+  240.1702 C12H22N3O2+ 2 240.1707 -1.77
+  261.1599 C15H21N2O2+ 2 261.1598 0.41
+  268.1656 C13H22N3O3+ 2 268.1656 0.14
+  289.1334 C19H17N2O+ 3 289.1335 -0.34
+  298.2129 C15H28N3O3+ 2 298.2125 1.22
+  299.2119 C19H27N2O+ 3 299.2118 0.43
+  317.1291 C6H19N7O8+ 2 317.129 0.42
+  320.1595 C16H22N3O4+ 2 320.1605 -3.06
+  348.1717 C23H24O3+ 3 348.172 -0.75
+  353.2561 C20H35NO4+ 3 353.2561 0.12
+  361.2615 C22H35NO3+ 2 361.2611 0.93
+  362.2455 C22H34O4+ 3 362.2452 0.96
+  387.24 C23H33NO4+ 3 387.2404 -1.03
+  388.2243 C22H26N7+ 4 388.2244 -0.33
+  389.1834 C21H27NO6+ 4 389.1833 0.27
+  391.1984 C19H27N4O5+ 4 391.1976 1.99
+  405.2501 C21H33N4O4+ 5 405.2496 1.19
+  425.2189 C23H29N4O4+ 6 425.2183 1.33
+  489.2141 C27H29N4O5+ 5 489.2132 1.84
+  500.3244 C29H44N2O5+ 3 500.3245 -0.21
+  520.2561 C28H34N5O5+ 4 520.2554 1.28
+PK$NUM_PEAK: 56
+PK$PEAK: m/z int. rel.int.
+  72.0444 1868295.9 10
+  84.0808 161033760 924
+  86.0965 31499912 180
+  100.0394 16138417 92
+  112.112 2089071.6 11
+  118.0652 1859648.4 10
+  120.0807 31687436 181
+  129.1022 21596082 123
+  130.0651 13238919 75
+  132.0808 11237883 64
+  132.1019 2070814.8 11
+  144.0807 5648572.5 32
+  153.1023 4893923.5 28
+  154.1588 3750954.8 21
+  155.0817 2665448.5 15
+  155.1178 16265934 93
+  170.06 19174320 110
+  173.0928 10287752 59
+  173.1072 174041216 999
+  183.0913 2610297 14
+  185.1284 11899137 68
+  188.1434 7521114.5 43
+  189.1021 53184616 305
+  191.118 4060540 23
+  197.165 4369790 25
+  199.1804 10468344 60
+  201.1021 37098108 212
+  203.1179 4265518.5 24
+  214.1911 1979266.1 11
+  219.1127 3308178.5 18
+  223.1434 1978746.1 11
+  227.1748 7381935.5 42
+  229.0967 2886233.5 16
+  231.1488 22485118 129
+  233.1643 4983706.5 28
+  240.1702 13710276 78
+  261.1599 1993084.6 11
+  268.1656 4351868 24
+  289.1334 5692923.5 32
+  298.2129 2996891 17
+  299.2119 3790293 21
+  317.1291 4669882 26
+  320.1595 27638100 158
+  348.1717 5883315 33
+  353.2561 8580921 49
+  361.2615 4544852 26
+  362.2455 4371072 25
+  387.24 9967437 57
+  388.2243 4500318.5 25
+  389.1834 2565863 14
+  391.1984 5060009.5 29
+  405.2501 6805162.5 39
+  425.2189 2751652 15
+  489.2141 4386231 25
+  500.3244 4261145.5 24
+  520.2561 4852649.5 27
+//
diff --git a/Eawag/MSBNK-MLU-ED065306.txt b/Eawag/MSBNK-MLU-ED065306.txt
new file mode 100644
index 0000000000..4881b8f0fc
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED065306.txt
@@ -0,0 +1,136 @@
+ACCESSION: MSBNK-MLU-ED065306
+RECORD_TITLE: Brunsvicamide B; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Mueller [dtc], G. M. Koenig  [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 653
+CH$NAME: Brunsvicamide B
+CH$NAME: (((3S,6S,9S,12S,15S)-6-((1H-indol-3-yl)methyl)-3-benzyl-12-((S)-sec-butyl)-9-isobutyl-7-methyl-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentaazacyclononadecan-15-yl)carbamoyl)-D-isoleucine
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C46H66N8O8
+CH$EXACT_MASS: 858.5003611
+CH$SMILES: CC[C@H]([C@H](C(O)=O)NC(N[C@@H]1C(N[C@H](C(N[C@H](C(N([C@H](C(N[C@H](C(NCCCC1)=O)CC2=CC=CC=C2)=O)CC3=CNC4=CC=CC=C43)C)=O)CC(C)C)=O)[C@H](CC)C)=O)=O)C
+CH$IUPAC: InChI=1S/C46H66N8O8/c1-8-28(5)38-43(58)50-36(23-27(3)4)44(59)54(7)37(25-31-26-48-33-20-14-13-19-32(31)33)42(57)49-35(24-30-17-11-10-12-18-30)40(55)47-22-16-15-21-34(41(56)52-38)51-46(62)53-39(45(60)61)29(6)9-2/h10-14,17-20,26-29,34-39,48H,8-9,15-16,21-25H2,1-7H3,(H,47,55)(H,49,57)(H,50,58)(H,52,56)(H,60,61)(H2,51,53,62)/t28-,29+,34-,35-,36-,37-,38-,39+/m0/s1
+CH$LINK: PUBCHEM CID:146682040
+CH$LINK: INCHIKEY CLAPAZQQSRVIAI-IRIVFKDGSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 59-895
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.668 min
+MS$FOCUSED_ION: BASE_PEAK 859.5075
+MS$FOCUSED_ION: PRECURSOR_M/Z 859.5076
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 1111478044.16
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00e9-4910000000-e22f47e333ca69e7e5cb
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  69.07 C5H9+ 1 69.0699 2.28
+  72.0445 C3H6NO+ 1 72.0444 1.28
+  84.0808 C5H10N+ 1 84.0808 0.83
+  86.0965 C5H12N+ 1 86.0964 0.48
+  91.0542 C7H7+ 1 91.0542 -0.67
+  100.0393 C4H6NO2+ 1 100.0393 0.26
+  105.07 C8H9+ 1 105.0699 1.4
+  112.1122 C7H14N+ 1 112.1121 0.7
+  118.0652 C8H8N+ 1 118.0651 0.74
+  120.0808 C8H10N+ 1 120.0808 0.3
+  127.0867 C6H11N2O+ 1 127.0866 1.13
+  129.1023 C6H13N2O+ 1 129.1022 0.42
+  130.0651 C9H8N+ 1 130.0651 0.14
+  132.0808 C9H10N+ 1 132.0808 0.11
+  132.1013 C6H14NO2+ 1 132.1019 -4.94
+  144.0807 C10H10N+ 1 144.0808 -0.19
+  152.1437 C10H18N+ 1 152.1434 1.8
+  153.1022 C8H13N2O+ 1 153.1022 -0.41
+  154.159 C10H20N+ 1 154.159 -0.05
+  155.0815 C7H11N2O2+ 1 155.0815 -0.18
+  155.1178 C8H15N2O+ 1 155.1179 -0.63
+  158.0837 C10H10N2+ 1 158.0838 -1.07
+  160.0757 C10H10NO+ 1 160.0757 0.26
+  161.1075 C10H13N2+ 1 161.1073 0.81
+  170.06 C11H8NO+ 1 170.06 -0.17
+  173.0925 C7H13N2O3+ 1 173.0921 2.55
+  173.1071 C11H13N2+ 1 173.1073 -1.14
+  183.0917 C12H11N2+ 1 183.0917 0.27
+  185.1281 C9H17N2O2+ 1 185.1285 -2.09
+  188.1433 C13H18N+ 1 188.1434 -0.3
+  189.1021 C11H13N2O+ 1 189.1022 -0.72
+  191.1175 C11H15N2O+ 2 191.1179 -2.22
+  197.1647 C11H21N2O+ 1 197.1648 -0.67
+  199.1804 C11H23N2O+ 1 199.1805 -0.43
+  201.1021 C12H13N2O+ 1 201.1022 -0.52
+  203.1176 C12H15N2O+ 1 203.1179 -1.42
+  223.1432 C10H17N5O+ 2 223.1428 1.81
+  231.1487 C14H19N2O+ 3 231.1492 -2.1
+  240.1702 C12H22N3O2+ 2 240.1707 -1.83
+  250.1549 C13H20N3O2+ 1 250.155 -0.3
+  289.1331 C19H17N2O+ 3 289.1335 -1.61
+  299.2119 C19H27N2O+ 2 299.2118 0.53
+  320.1608 C16H22N3O4+ 3 320.1605 0.85
+  353.2555 C20H35NO4+ 2 353.2561 -1.6
+  362.2445 C22H34O4+ 2 362.2452 -1.82
+  387.24 C23H33NO4+ 3 387.2404 -1.03
+  388.224 C22H26N7+ 4 388.2244 -0.96
+PK$NUM_PEAK: 47
+PK$PEAK: m/z int. rel.int.
+  69.07 2354536.8 12
+  72.0445 2939106.2 15
+  84.0808 194872464 999
+  86.0965 58702200 300
+  91.0542 10983553 56
+  100.0393 18130976 92
+  105.07 2881842.2 14
+  112.1122 3442074 17
+  118.0652 4180726.8 21
+  120.0808 86250680 442
+  127.0867 2622120.8 13
+  129.1023 28962728 148
+  130.0651 21423154 109
+  132.0808 35107600 179
+  132.1013 2226139.2 11
+  144.0807 15102987 77
+  152.1437 2131857 10
+  153.1022 5785507 29
+  154.159 5640534 28
+  155.0815 7004198 35
+  155.1178 13237202 67
+  158.0837 5036415 25
+  160.0757 2987769.2 15
+  161.1075 2287945.2 11
+  170.06 23657180 121
+  173.0925 14971626 76
+  173.1071 168447392 863
+  183.0917 4828318.5 24
+  185.1281 2214026.5 11
+  188.1433 18139282 92
+  189.1021 39562204 202
+  191.1175 4074966.5 20
+  197.1647 3221891.5 16
+  199.1804 6777081 34
+  201.1021 20934892 107
+  203.1176 4000248 20
+  223.1432 4177176 21
+  231.1487 8727022 44
+  240.1702 16069378 82
+  250.1549 2661788.5 13
+  289.1331 3610070.2 18
+  299.2119 2137686.2 10
+  320.1608 15851306 81
+  353.2555 2403395.5 12
+  362.2445 2522990.2 12
+  387.24 2368456.8 12
+  388.224 2657021.2 13
+//
diff --git a/Eawag/MSBNK-MLU-ED065307.txt b/Eawag/MSBNK-MLU-ED065307.txt
new file mode 100644
index 0000000000..36142137d2
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED065307.txt
@@ -0,0 +1,112 @@
+ACCESSION: MSBNK-MLU-ED065307
+RECORD_TITLE: Brunsvicamide B; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Mueller [dtc], G. M. Koenig  [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 653
+CH$NAME: Brunsvicamide B
+CH$NAME: (((3S,6S,9S,12S,15S)-6-((1H-indol-3-yl)methyl)-3-benzyl-12-((S)-sec-butyl)-9-isobutyl-7-methyl-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentaazacyclononadecan-15-yl)carbamoyl)-D-isoleucine
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C46H66N8O8
+CH$EXACT_MASS: 858.5003611
+CH$SMILES: CC[C@H]([C@H](C(O)=O)NC(N[C@@H]1C(N[C@H](C(N[C@H](C(N([C@H](C(N[C@H](C(NCCCC1)=O)CC2=CC=CC=C2)=O)CC3=CNC4=CC=CC=C43)C)=O)CC(C)C)=O)[C@H](CC)C)=O)=O)C
+CH$IUPAC: InChI=1S/C46H66N8O8/c1-8-28(5)38-43(58)50-36(23-27(3)4)44(59)54(7)37(25-31-26-48-33-20-14-13-19-32(31)33)42(57)49-35(24-30-17-11-10-12-18-30)40(55)47-22-16-15-21-34(41(56)52-38)51-46(62)53-39(45(60)61)29(6)9-2/h10-14,17-20,26-29,34-39,48H,8-9,15-16,21-25H2,1-7H3,(H,47,55)(H,49,57)(H,50,58)(H,52,56)(H,60,61)(H2,51,53,62)/t28-,29+,34-,35-,36-,37-,38-,39+/m0/s1
+CH$LINK: PUBCHEM CID:146682040
+CH$LINK: INCHIKEY CLAPAZQQSRVIAI-IRIVFKDGSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 59-895
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.668 min
+MS$FOCUSED_ION: BASE_PEAK 859.5075
+MS$FOCUSED_ION: PRECURSOR_M/Z 859.5076
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 1111478044.16
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0089-5900000000-cf304bb0886cab270b96
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  69.07 C5H9+ 1 69.0699 1.62
+  72.0444 C3H6NO+ 1 72.0444 0.01
+  84.0808 C5H10N+ 1 84.0808 0.47
+  86.0964 C5H12N+ 1 86.0964 0.13
+  91.0542 C7H7+ 1 91.0542 -0.25
+  100.0393 C4H6NO2+ 1 100.0393 -0.19
+  103.0542 C8H7+ 1 103.0542 -0.29
+  105.0698 C8H9+ 1 105.0699 -0.63
+  112.1121 C7H14N+ 1 112.1121 -0.12
+  115.054 C9H7+ 1 115.0542 -2.31
+  117.0574 C8H7N+ 1 117.0573 0.71
+  118.0652 C8H8N+ 1 118.0651 0.22
+  120.0808 C8H10N+ 1 120.0808 0.17
+  127.0865 C6H11N2O+ 1 127.0866 -0.79
+  129.1022 C6H13N2O+ 1 129.1022 0.07
+  130.0652 C9H8N+ 1 130.0651 0.25
+  132.0808 C9H10N+ 1 132.0808 0.11
+  142.0649 C10H8N+ 1 142.0651 -1.82
+  144.0808 C10H10N+ 1 144.0808 0.02
+  153.1021 C8H13N2O+ 1 153.1022 -0.81
+  154.1588 C10H20N+ 1 154.159 -1.34
+  155.0814 C7H11N2O2+ 1 155.0815 -0.38
+  155.1175 C8H15N2O+ 1 155.1179 -2.8
+  158.0838 C10H10N2+ 1 158.0838 -0.21
+  160.0756 C10H10NO+ 1 160.0757 -0.31
+  161.1071 C10H13N2+ 1 161.1073 -1.27
+  170.06 C11H8NO+ 1 170.06 -0.17
+  173.0923 C7H13N2O3+ 1 173.0921 1.05
+  173.1071 C11H13N2+ 1 173.1073 -1.4
+  183.0917 C12H11N2+ 1 183.0917 -0.06
+  188.1432 C13H18N+ 1 188.1434 -0.87
+  189.1021 C11H13N2O+ 1 189.1022 -0.8
+  197.1646 C11H21N2O+ 1 197.1648 -1.29
+  201.1021 C12H13N2O+ 1 201.1022 -0.67
+  240.1703 C12H22N3O2+ 2 240.1707 -1.51
+PK$NUM_PEAK: 35
+PK$PEAK: m/z int. rel.int.
+  69.07 5144704.5 31
+  72.0444 3315246.5 20
+  84.0808 163927040 999
+  86.0964 50274532 306
+  91.0542 15981971 97
+  100.0393 10405713 63
+  103.0542 2941189.5 17
+  105.0698 5179431.5 31
+  112.1121 2660726.8 16
+  115.054 2145915.8 13
+  117.0574 2371809.8 14
+  118.0652 5556109 33
+  120.0808 95988320 584
+  127.0865 2195715 13
+  129.1022 14653057 89
+  130.0652 21334874 130
+  132.0808 48904120 298
+  142.0649 4067206.5 24
+  144.0808 17255344 105
+  153.1021 4010217.8 24
+  154.1588 3230796.5 19
+  155.0814 8056361 49
+  155.1175 4402887 26
+  158.0838 5936741.5 36
+  160.0756 4484046 27
+  161.1071 2564289 15
+  170.06 18635406 113
+  173.0923 7257256 44
+  173.1071 84893424 517
+  183.0917 4585635 27
+  188.1432 13905510 84
+  189.1021 12683675 77
+  197.1646 2254295.2 13
+  201.1021 6279515 38
+  240.1703 8434068 51
+//
diff --git a/Eawag/MSBNK-MLU-ED065308.txt b/Eawag/MSBNK-MLU-ED065308.txt
new file mode 100644
index 0000000000..8d2a47abbc
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED065308.txt
@@ -0,0 +1,110 @@
+ACCESSION: MSBNK-MLU-ED065308
+RECORD_TITLE: Brunsvicamide B; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Mueller [dtc], G. M. Koenig  [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 653
+CH$NAME: Brunsvicamide B
+CH$NAME: (((3S,6S,9S,12S,15S)-6-((1H-indol-3-yl)methyl)-3-benzyl-12-((S)-sec-butyl)-9-isobutyl-7-methyl-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentaazacyclononadecan-15-yl)carbamoyl)-D-isoleucine
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C46H66N8O8
+CH$EXACT_MASS: 858.5003611
+CH$SMILES: CC[C@H]([C@H](C(O)=O)NC(N[C@@H]1C(N[C@H](C(N[C@H](C(N([C@H](C(N[C@H](C(NCCCC1)=O)CC2=CC=CC=C2)=O)CC3=CNC4=CC=CC=C43)C)=O)CC(C)C)=O)[C@H](CC)C)=O)=O)C
+CH$IUPAC: InChI=1S/C46H66N8O8/c1-8-28(5)38-43(58)50-36(23-27(3)4)44(59)54(7)37(25-31-26-48-33-20-14-13-19-32(31)33)42(57)49-35(24-30-17-11-10-12-18-30)40(55)47-22-16-15-21-34(41(56)52-38)51-46(62)53-39(45(60)61)29(6)9-2/h10-14,17-20,26-29,34-39,48H,8-9,15-16,21-25H2,1-7H3,(H,47,55)(H,49,57)(H,50,58)(H,52,56)(H,60,61)(H2,51,53,62)/t28-,29+,34-,35-,36-,37-,38-,39+/m0/s1
+CH$LINK: PUBCHEM CID:146682040
+CH$LINK: INCHIKEY CLAPAZQQSRVIAI-IRIVFKDGSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 59-895
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.668 min
+MS$FOCUSED_ION: BASE_PEAK 859.5075
+MS$FOCUSED_ION: PRECURSOR_M/Z 859.5076
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 1111478044.16
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0089-6900000000-509d8de943ccedbae050
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  69.07 C5H9+ 1 69.0699 1.62
+  72.0445 C3H6NO+ 1 72.0444 1.07
+  82.0651 C5H8N+ 1 82.0651 -0.01
+  84.0808 C5H10N+ 1 84.0808 0.65
+  86.0965 C5H12N+ 1 86.0964 0.3
+  91.0542 C7H7+ 1 91.0542 0.25
+  100.0393 C4H6NO2+ 1 100.0393 0.04
+  103.0543 C8H7+ 1 103.0542 0.45
+  105.0699 C8H9+ 1 105.0699 0.6
+  111.092 C6H11N2+ 1 111.0917 2.67
+  112.1122 C7H14N+ 1 112.1121 1.04
+  115.0542 C9H7+ 1 115.0542 -0.19
+  117.0574 C8H7N+ 1 117.0573 0.97
+  118.0652 C8H8N+ 1 118.0651 0.35
+  120.0808 C8H10N+ 1 120.0808 0.23
+  127.0867 C6H11N2O+ 1 127.0866 1.19
+  128.0706 C6H10NO2+ 1 128.0706 -0.19
+  129.1023 C6H13N2O+ 1 129.1022 0.3
+  130.0651 C9H8N+ 1 130.0651 -0.1
+  132.0808 C9H10N+ 1 132.0808 -0.01
+  142.0651 C10H8N+ 1 142.0651 -0.32
+  144.0807 C10H10N+ 1 144.0808 -0.41
+  153.1021 C8H13N2O+ 1 153.1022 -1.21
+  155.0816 C7H11N2O2+ 1 155.0815 0.31
+  158.0838 C10H10N2+ 1 158.0838 -0.11
+  160.0755 C10H10NO+ 1 160.0757 -0.88
+  170.06 C11H8NO+ 1 170.06 -0.17
+  173.0927 C7H13N2O3+ 1 173.0921 3.87
+  173.1072 C11H13N2+ 1 173.1073 -0.96
+  183.0916 C12H11N2+ 1 183.0917 -0.14
+  188.1433 C13H18N+ 1 188.1434 -0.62
+  189.1021 C11H13N2O+ 1 189.1022 -0.64
+  201.1021 C12H13N2O+ 1 201.1022 -0.59
+  240.1704 C12H22N3O2+ 2 240.1707 -1.13
+PK$NUM_PEAK: 34
+PK$PEAK: m/z int. rel.int.
+  69.07 10921462 43
+  72.0445 4526756 18
+  82.0651 3067333.8 12
+  84.0808 250822000 999
+  86.0965 65343576 260
+  91.0542 30663560 122
+  100.0393 12306728 49
+  103.0543 9127137 36
+  105.0699 11217930 44
+  111.092 3146594.2 12
+  112.1122 2711031.5 10
+  115.0542 7437343 29
+  117.0574 8620227 34
+  118.0652 10605944 42
+  120.0808 147950032 589
+  127.0867 3278604.8 13
+  128.0706 2984617.2 11
+  129.1023 14713120 58
+  130.0651 38759272 154
+  132.0808 86529440 344
+  142.0651 7715501 30
+  144.0807 26444476 105
+  153.1021 4072710.5 16
+  155.0816 8839240 35
+  158.0838 14441722 57
+  160.0755 8008196.5 31
+  170.06 18965616 75
+  173.0927 4208092 16
+  173.1072 64370996 256
+  183.0916 4606401 18
+  188.1433 9252341 36
+  189.1021 4660656.5 18
+  201.1021 2519413.8 10
+  240.1704 3287015.8 13
+//
diff --git a/Eawag/MSBNK-MLU-ED065309.txt b/Eawag/MSBNK-MLU-ED065309.txt
new file mode 100644
index 0000000000..e7ad71a030
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED065309.txt
@@ -0,0 +1,96 @@
+ACCESSION: MSBNK-MLU-ED065309
+RECORD_TITLE: Brunsvicamide B; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Mueller [dtc], G. M. Koenig  [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 653
+CH$NAME: Brunsvicamide B
+CH$NAME: (((3S,6S,9S,12S,15S)-6-((1H-indol-3-yl)methyl)-3-benzyl-12-((S)-sec-butyl)-9-isobutyl-7-methyl-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentaazacyclononadecan-15-yl)carbamoyl)-D-isoleucine
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C46H66N8O8
+CH$EXACT_MASS: 858.5003611
+CH$SMILES: CC[C@H]([C@H](C(O)=O)NC(N[C@@H]1C(N[C@H](C(N[C@H](C(N([C@H](C(N[C@H](C(NCCCC1)=O)CC2=CC=CC=C2)=O)CC3=CNC4=CC=CC=C43)C)=O)CC(C)C)=O)[C@H](CC)C)=O)=O)C
+CH$IUPAC: InChI=1S/C46H66N8O8/c1-8-28(5)38-43(58)50-36(23-27(3)4)44(59)54(7)37(25-31-26-48-33-20-14-13-19-32(31)33)42(57)49-35(24-30-17-11-10-12-18-30)40(55)47-22-16-15-21-34(41(56)52-38)51-46(62)53-39(45(60)61)29(6)9-2/h10-14,17-20,26-29,34-39,48H,8-9,15-16,21-25H2,1-7H3,(H,47,55)(H,49,57)(H,50,58)(H,52,56)(H,60,61)(H2,51,53,62)/t28-,29+,34-,35-,36-,37-,38-,39+/m0/s1
+CH$LINK: PUBCHEM CID:146682040
+CH$LINK: INCHIKEY CLAPAZQQSRVIAI-IRIVFKDGSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 59-895
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.668 min
+MS$FOCUSED_ION: BASE_PEAK 859.5075
+MS$FOCUSED_ION: PRECURSOR_M/Z 859.5076
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 1111478044.16
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-001i-6900000000-9ad723294b53b624d447
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  69.07 C5H9+ 1 69.0699 2.17
+  72.0445 C3H6NO+ 1 72.0444 1.6
+  82.0652 C5H8N+ 1 82.0651 1.48
+  84.0808 C5H10N+ 1 84.0808 0.65
+  86.0965 C5H12N+ 1 86.0964 0.3
+  91.0543 C7H7+ 1 91.0542 0.42
+  100.0394 C4H6NO2+ 1 100.0393 0.57
+  103.0543 C8H7+ 1 103.0542 0.45
+  105.0699 C8H9+ 1 105.0699 0.02
+  110.06 C6H8NO+ 1 110.06 -0.15
+  111.0917 C6H11N2+ 1 111.0917 0.33
+  115.0543 C9H7+ 1 115.0542 0.4
+  117.0574 C8H7N+ 1 117.0573 0.97
+  118.0652 C8H8N+ 1 118.0651 0.48
+  120.0808 C8H10N+ 1 120.0808 0.23
+  129.1023 C6H13N2O+ 1 129.1022 0.54
+  130.0651 C9H8N+ 1 130.0651 0.14
+  132.0808 C9H10N+ 1 132.0808 0.11
+  142.0652 C10H8N+ 1 142.0651 0.33
+  144.0808 C10H10N+ 1 144.0808 0.02
+  155.0818 C7H11N2O2+ 1 155.0815 2.08
+  158.0838 C10H10N2+ 1 158.0838 -0.01
+  160.0756 C10H10NO+ 1 160.0757 -0.31
+  170.0601 C11H8NO+ 1 170.06 0.19
+  173.1072 C11H13N2+ 1 173.1073 -0.61
+  183.0917 C12H11N2+ 1 183.0917 0.36
+  188.1429 C13H18N+ 1 188.1434 -2.33
+PK$NUM_PEAK: 27
+PK$PEAK: m/z int. rel.int.
+  69.07 7335017.5 51
+  72.0445 1673855.4 11
+  82.0652 2479022 17
+  84.0808 143302320 999
+  86.0965 28993304 202
+  91.0543 18867556 131
+  100.0394 5609547.5 39
+  103.0543 12043189 83
+  105.0699 8486686 59
+  110.06 2167223 15
+  111.0917 1770630.5 12
+  115.0543 7986005.5 55
+  117.0574 10475167 73
+  118.0652 6415023.5 44
+  120.0808 77557440 540
+  129.1023 4515762 31
+  130.0651 26132128 182
+  132.0808 52622572 366
+  142.0652 5315391.5 37
+  144.0808 12917938 90
+  155.0818 2792023.2 19
+  158.0838 9182163 64
+  160.0756 3134206.8 21
+  170.0601 7281572.5 50
+  173.1072 15908212 110
+  183.0917 2033343.1 14
+  188.1429 1968141.1 13
+//
diff --git a/Eawag/MSBNK-MLU-ED065351.txt b/Eawag/MSBNK-MLU-ED065351.txt
new file mode 100644
index 0000000000..951bb7aa90
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED065351.txt
@@ -0,0 +1,48 @@
+ACCESSION: MSBNK-MLU-ED065351
+RECORD_TITLE: Brunsvicamide B; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Mueller [dtc], G. M. Koenig  [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 653
+CH$NAME: Brunsvicamide B
+CH$NAME: (((3S,6S,9S,12S,15S)-6-((1H-indol-3-yl)methyl)-3-benzyl-12-((S)-sec-butyl)-9-isobutyl-7-methyl-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentaazacyclononadecan-15-yl)carbamoyl)-D-isoleucine
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C46H66N8O8
+CH$EXACT_MASS: 858.5003611
+CH$SMILES: CC[C@H]([C@H](C(O)=O)NC(N[C@@H]1C(N[C@H](C(N[C@H](C(N([C@H](C(N[C@H](C(NCCCC1)=O)CC2=CC=CC=C2)=O)CC3=CNC4=CC=CC=C43)C)=O)CC(C)C)=O)[C@H](CC)C)=O)=O)C
+CH$IUPAC: InChI=1S/C46H66N8O8/c1-8-28(5)38-43(58)50-36(23-27(3)4)44(59)54(7)37(25-31-26-48-33-20-14-13-19-32(31)33)42(57)49-35(24-30-17-11-10-12-18-30)40(55)47-22-16-15-21-34(41(56)52-38)51-46(62)53-39(45(60)61)29(6)9-2/h10-14,17-20,26-29,34-39,48H,8-9,15-16,21-25H2,1-7H3,(H,47,55)(H,49,57)(H,50,58)(H,52,56)(H,60,61)(H2,51,53,62)/t28-,29+,34-,35-,36-,37-,38-,39+/m0/s1
+CH$LINK: PUBCHEM CID:146682040
+CH$LINK: INCHIKEY CLAPAZQQSRVIAI-IRIVFKDGSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 59-895
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.647 min
+MS$FOCUSED_ION: BASE_PEAK 857.4931
+MS$FOCUSED_ION: PRECURSOR_M/Z 857.4931
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 727778634.25
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-004i-0000000910-05e1c6e7fcf17d1d7b22
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  726.3988 C40H52N7O6- 4 726.3985 0.53
+  727.4018 C46H53N3O5- 1 727.3991 3.71
+  839.4824 C46H63N8O7- 1 839.4825 -0.09
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  726.3988 114055136 999
+  727.4018 7780180.5 68
+  839.4824 20932622 183
+//
diff --git a/Eawag/MSBNK-MLU-ED065352.txt b/Eawag/MSBNK-MLU-ED065352.txt
new file mode 100644
index 0000000000..f01d6fcc2a
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED065352.txt
@@ -0,0 +1,52 @@
+ACCESSION: MSBNK-MLU-ED065352
+RECORD_TITLE: Brunsvicamide B; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Mueller [dtc], G. M. Koenig  [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 653
+CH$NAME: Brunsvicamide B
+CH$NAME: (((3S,6S,9S,12S,15S)-6-((1H-indol-3-yl)methyl)-3-benzyl-12-((S)-sec-butyl)-9-isobutyl-7-methyl-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentaazacyclononadecan-15-yl)carbamoyl)-D-isoleucine
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C46H66N8O8
+CH$EXACT_MASS: 858.5003611
+CH$SMILES: CC[C@H]([C@H](C(O)=O)NC(N[C@@H]1C(N[C@H](C(N[C@H](C(N([C@H](C(N[C@H](C(NCCCC1)=O)CC2=CC=CC=C2)=O)CC3=CNC4=CC=CC=C43)C)=O)CC(C)C)=O)[C@H](CC)C)=O)=O)C
+CH$IUPAC: InChI=1S/C46H66N8O8/c1-8-28(5)38-43(58)50-36(23-27(3)4)44(59)54(7)37(25-31-26-48-33-20-14-13-19-32(31)33)42(57)49-35(24-30-17-11-10-12-18-30)40(55)47-22-16-15-21-34(41(56)52-38)51-46(62)53-39(45(60)61)29(6)9-2/h10-14,17-20,26-29,34-39,48H,8-9,15-16,21-25H2,1-7H3,(H,47,55)(H,49,57)(H,50,58)(H,52,56)(H,60,61)(H2,51,53,62)/t28-,29+,34-,35-,36-,37-,38-,39+/m0/s1
+CH$LINK: PUBCHEM CID:146682040
+CH$LINK: INCHIKEY CLAPAZQQSRVIAI-IRIVFKDGSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 59-895
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.647 min
+MS$FOCUSED_ION: BASE_PEAK 857.4931
+MS$FOCUSED_ION: PRECURSOR_M/Z 857.4931
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 727778634.25
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-004i-0000000910-1a655d208f898293d226
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  130.086 C4H10N4O- 1 130.086 0.23
+  517.255 C27H37N2O8- 5 517.2555 -1.07
+  726.399 C40H52N7O6- 5 726.3985 0.78
+  727.4029 C40H53N7O6- 1 727.4063 -4.69
+  839.4829 C46H63N8O7- 1 839.4825 0.49
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  130.086 5589131.5 41
+  517.255 1495464.1 11
+  726.399 134314624 999
+  727.4029 7835861 58
+  839.4829 19399022 144
+//
diff --git a/Eawag/MSBNK-MLU-ED065353.txt b/Eawag/MSBNK-MLU-ED065353.txt
new file mode 100644
index 0000000000..3e55ba35d2
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED065353.txt
@@ -0,0 +1,62 @@
+ACCESSION: MSBNK-MLU-ED065353
+RECORD_TITLE: Brunsvicamide B; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Mueller [dtc], G. M. Koenig  [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 653
+CH$NAME: Brunsvicamide B
+CH$NAME: (((3S,6S,9S,12S,15S)-6-((1H-indol-3-yl)methyl)-3-benzyl-12-((S)-sec-butyl)-9-isobutyl-7-methyl-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentaazacyclononadecan-15-yl)carbamoyl)-D-isoleucine
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C46H66N8O8
+CH$EXACT_MASS: 858.5003611
+CH$SMILES: CC[C@H]([C@H](C(O)=O)NC(N[C@@H]1C(N[C@H](C(N[C@H](C(N([C@H](C(N[C@H](C(NCCCC1)=O)CC2=CC=CC=C2)=O)CC3=CNC4=CC=CC=C43)C)=O)CC(C)C)=O)[C@H](CC)C)=O)=O)C
+CH$IUPAC: InChI=1S/C46H66N8O8/c1-8-28(5)38-43(58)50-36(23-27(3)4)44(59)54(7)37(25-31-26-48-33-20-14-13-19-32(31)33)42(57)49-35(24-30-17-11-10-12-18-30)40(55)47-22-16-15-21-34(41(56)52-38)51-46(62)53-39(45(60)61)29(6)9-2/h10-14,17-20,26-29,34-39,48H,8-9,15-16,21-25H2,1-7H3,(H,47,55)(H,49,57)(H,50,58)(H,52,56)(H,60,61)(H2,51,53,62)/t28-,29+,34-,35-,36-,37-,38-,39+/m0/s1
+CH$LINK: PUBCHEM CID:146682040
+CH$LINK: INCHIKEY CLAPAZQQSRVIAI-IRIVFKDGSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 59-895
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.647 min
+MS$FOCUSED_ION: BASE_PEAK 857.4931
+MS$FOCUSED_ION: PRECURSOR_M/Z 857.4931
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 727778634.25
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-004i-0000020910-e75c18f7187d296c55d8
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  130.0861 C4H10N4O- 1 130.086 0.46
+  379.2348 C19H31N4O4- 5 379.2351 -0.8
+  400.1993 C19H30NO8- 4 400.1977 4.11
+  517.2561 C27H37N2O8- 5 517.2555 1.18
+  597.3406 C31H45N6O6- 5 597.3406 -0.04
+  683.3911 C41H53N3O6- 4 683.394 -4.27
+  710.425 C37H56N7O7- 3 710.4247 0.48
+  726.3987 C40H52N7O6- 4 726.3985 0.27
+  727.4035 C40H53N7O6- 1 727.4063 -3.77
+  839.4823 C46H63N8O7- 1 839.4825 -0.23
+PK$NUM_PEAK: 10
+PK$PEAK: m/z int. rel.int.
+  130.0861 8676030 93
+  379.2348 1012957.1 10
+  400.1993 2136306.8 23
+  517.2561 6971717 75
+  597.3406 19533500 210
+  683.3911 1007091.4 10
+  710.425 2111412.2 22
+  726.3987 92529928 999
+  727.4035 5660171 61
+  839.4823 11382042 122
+//
diff --git a/Eawag/MSBNK-MLU-ED065354.txt b/Eawag/MSBNK-MLU-ED065354.txt
new file mode 100644
index 0000000000..104b384921
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED065354.txt
@@ -0,0 +1,92 @@
+ACCESSION: MSBNK-MLU-ED065354
+RECORD_TITLE: Brunsvicamide B; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Mueller [dtc], G. M. Koenig  [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 653
+CH$NAME: Brunsvicamide B
+CH$NAME: (((3S,6S,9S,12S,15S)-6-((1H-indol-3-yl)methyl)-3-benzyl-12-((S)-sec-butyl)-9-isobutyl-7-methyl-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentaazacyclononadecan-15-yl)carbamoyl)-D-isoleucine
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C46H66N8O8
+CH$EXACT_MASS: 858.5003611
+CH$SMILES: CC[C@H]([C@H](C(O)=O)NC(N[C@@H]1C(N[C@H](C(N[C@H](C(N([C@H](C(N[C@H](C(NCCCC1)=O)CC2=CC=CC=C2)=O)CC3=CNC4=CC=CC=C43)C)=O)CC(C)C)=O)[C@H](CC)C)=O)=O)C
+CH$IUPAC: InChI=1S/C46H66N8O8/c1-8-28(5)38-43(58)50-36(23-27(3)4)44(59)54(7)37(25-31-26-48-33-20-14-13-19-32(31)33)42(57)49-35(24-30-17-11-10-12-18-30)40(55)47-22-16-15-21-34(41(56)52-38)51-46(62)53-39(45(60)61)29(6)9-2/h10-14,17-20,26-29,34-39,48H,8-9,15-16,21-25H2,1-7H3,(H,47,55)(H,49,57)(H,50,58)(H,52,56)(H,60,61)(H2,51,53,62)/t28-,29+,34-,35-,36-,37-,38-,39+/m0/s1
+CH$LINK: PUBCHEM CID:146682040
+CH$LINK: INCHIKEY CLAPAZQQSRVIAI-IRIVFKDGSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 59-895
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.647 min
+MS$FOCUSED_ION: BASE_PEAK 857.4931
+MS$FOCUSED_ION: PRECURSOR_M/Z 857.4931
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 727778634.25
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0002-0402290100-b670a52c7f1ce5b77f2b
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  97.1021 C7H13- 1 97.1023 -1.58
+  130.0861 C4H10N4O- 1 130.086 0.46
+  140.0703 C5H8N4O- 1 140.0704 -0.62
+  155.0815 C5H9N5O- 1 155.0813 1.27
+  183.1124 C7H13N5O- 1 183.1126 -0.75
+  189.0658 C8H7N5O- 1 189.0656 0.84
+  216.113 C10H12N6- 1 216.1129 0.59
+  229.1331 C12H15N5- 2 229.1333 -1.06
+  256.2022 C11H24N6O- 2 256.2017 1.76
+  282.1808 C12H22N6O2- 2 282.181 -0.67
+  300.1336 C14H16N6O2- 2 300.134 -1.33
+  370.2125 C19H26N6O2- 3 370.2123 0.58
+  379.2351 C19H31N4O4- 5 379.2351 0.01
+  388.1988 C19H26N5O4- 4 388.199 -0.57
+  400.1986 C19H30NO8- 4 400.1977 2.28
+  413.2188 C21H33O8- 6 413.2181 1.6
+  446.2544 C24H30N8O- 4 446.2548 -0.98
+  501.2823 C36H37O2- 4 501.2799 4.75
+  517.2563 C28H33N6O4- 4 517.2569 -1.06
+  579.3327 C31H43N6O5- 6 579.33 4.52
+  597.3406 C31H45N6O6- 5 597.3406 -0.04
+  683.3969 C41H53N3O6- 5 683.394 4.31
+  710.4239 C37H56N7O7- 3 710.4247 -1.06
+  727.4024 C46H53N3O5- 1 727.3991 4.55
+  839.4836 C46H63N8O7- 1 839.4825 1.29
+PK$NUM_PEAK: 25
+PK$PEAK: m/z int. rel.int.
+  97.1021 455602.5 19
+  130.0861 9310605 407
+  140.0703 480393.7 21
+  155.0815 1663946.8 72
+  183.1124 1246412.8 54
+  189.0658 1894712.5 82
+  216.113 792614.4 34
+  229.1331 410699.2 17
+  256.2022 305162 13
+  282.1808 1832946 80
+  300.1336 1439059 63
+  370.2125 1763449.2 77
+  379.2351 1337872.5 58
+  388.1988 5573378.5 244
+  400.1986 3049479.2 133
+  413.2188 1403549.5 61
+  446.2544 3290663.8 144
+  501.2823 778545.1 34
+  517.2563 6290929.5 275
+  579.3327 692741.1 30
+  597.3406 22816158 999
+  683.3969 676067.7 29
+  710.4239 2699663.8 118
+  727.4024 1582647.9 69
+  839.4836 2466882.2 108
+//
diff --git a/Eawag/MSBNK-MLU-ED068401.txt b/Eawag/MSBNK-MLU-ED068401.txt
new file mode 100644
index 0000000000..c15cee3c2e
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED068401.txt
@@ -0,0 +1,60 @@
+ACCESSION: MSBNK-MLU-ED068401
+RECORD_TITLE: Scyptolin A; LC-ESI-QFT; MS2; CE: 15%; R=17500; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Enke [dtc], H. Enke [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 684
+CH$NAME: Scyptolin A
+CH$NAME: (2R,3R)-2-[[(2R)-2-(butanoylamino)propanoyl]amino]-N-[(2R,5S,8R,11R,12R,15S,18S,21S)-5-[(3-chloro-4-hydroxyphenyl)methyl]-21-hydroxy-2-[(1R)-1-hydroxyethyl]-4,11-dimethyl-15-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]-3-hydroxybutanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C45H69ClN8O14
+CH$EXACT_MASS: 980.4621766
+CH$SMILES: C[C@H]1OC([C@H](NC([C@@H](N(C([C@H](N2C([C@H](CC[C@@H]2O)NC([C@@H](NC([C@@H]1NC([C@H](NC([C@H](NC(CCC)=O)C)=O)[C@@H](C)O)=O)=O)CC(C)C)=O)=O)[C@@H](C)O)=O)C)CC(C=C3)=CC(Cl)=C3O)=O)C(C)C)=O
+CH$IUPAC: InChI=1S/C45H69ClN8O14/c1-11-12-32(58)47-22(6)38(60)51-35(23(7)55)41(63)52-36-25(9)68-45(67)34(21(4)5)50-40(62)30(19-26-13-15-31(57)27(46)18-26)53(10)44(66)37(24(8)56)54-33(59)16-14-28(43(54)65)48-39(61)29(17-20(2)3)49-42(36)64/h13,15,18,20-25,28-30,33-37,55-57,59H,11-12,14,16-17,19H2,1-10H3,(H,47,58)(H,48,61)(H,49,64)(H,50,62)(H,51,60)(H,52,63)/t22-,23-,24-,25-,28+,29+,30+,33+,34-,35-,36-,37-/m1/s1
+CH$LINK: PUBCHEM CID:155802125
+CH$LINK: INCHIKEY IZUSQHCHSMJXLV-DEGMBRQQSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 68-1020
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.426 min
+MS$FOCUSED_ION: BASE_PEAK 1003.4519
+MS$FOCUSED_ION: PRECURSOR_M/Z 981.4695
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 3874372.45
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0229-0001100289-eb1b7dd09636bd0a4e0d
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  308.1605 C15H22N3O4+ 9 308.1605 -0.04
+  326.1712 C15H24N3O5+ 8 326.171 0.43
+  408.1318 C22H20N2O6+ 11 408.1316 0.4
+  525.2126 C27H31N3O8+ 14 525.2106 3.9
+  721.3331 C39H49N2O11+ 14 721.3331 -0.02
+  822.3805 C43H56N3O13+ 10 822.3808 -0.32
+  864.3896 C43H56N6O13+ 6 864.39 -0.4
+  945.4494 C45H66ClN8O12+ 1 945.4483 1.12
+  963.4594 C45H68ClN8O13+ 1 963.4589 0.52
+PK$NUM_PEAK: 9
+PK$PEAK: m/z int. rel.int.
+  308.1605 13933.9 26
+  326.1712 136693.4 258
+  408.1318 108511.1 205
+  525.2126 39637.8 75
+  721.3331 203008.2 384
+  822.3805 527951.8 999
+  864.3896 132769.2 251
+  945.4494 225123.8 425
+  963.4594 462190.5 874
+//
diff --git a/Eawag/MSBNK-MLU-ED068402.txt b/Eawag/MSBNK-MLU-ED068402.txt
new file mode 100644
index 0000000000..712f5a0194
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED068402.txt
@@ -0,0 +1,74 @@
+ACCESSION: MSBNK-MLU-ED068402
+RECORD_TITLE: Scyptolin A; LC-ESI-QFT; MS2; CE: 20%; R=17500; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Enke [dtc], H. Enke [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 684
+CH$NAME: Scyptolin A
+CH$NAME: (2R,3R)-2-[[(2R)-2-(butanoylamino)propanoyl]amino]-N-[(2R,5S,8R,11R,12R,15S,18S,21S)-5-[(3-chloro-4-hydroxyphenyl)methyl]-21-hydroxy-2-[(1R)-1-hydroxyethyl]-4,11-dimethyl-15-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]-3-hydroxybutanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C45H69ClN8O14
+CH$EXACT_MASS: 980.4621766
+CH$SMILES: C[C@H]1OC([C@H](NC([C@@H](N(C([C@H](N2C([C@H](CC[C@@H]2O)NC([C@@H](NC([C@@H]1NC([C@H](NC([C@H](NC(CCC)=O)C)=O)[C@@H](C)O)=O)=O)CC(C)C)=O)=O)[C@@H](C)O)=O)C)CC(C=C3)=CC(Cl)=C3O)=O)C(C)C)=O
+CH$IUPAC: InChI=1S/C45H69ClN8O14/c1-11-12-32(58)47-22(6)38(60)51-35(23(7)55)41(63)52-36-25(9)68-45(67)34(21(4)5)50-40(62)30(19-26-13-15-31(57)27(46)18-26)53(10)44(66)37(24(8)56)54-33(59)16-14-28(43(54)65)48-39(61)29(17-20(2)3)49-42(36)64/h13,15,18,20-25,28-30,33-37,55-57,59H,11-12,14,16-17,19H2,1-10H3,(H,47,58)(H,48,61)(H,49,64)(H,50,62)(H,51,60)(H,52,63)/t22-,23-,24-,25-,28+,29+,30+,33+,34-,35-,36-,37-/m1/s1
+CH$LINK: PUBCHEM CID:155802125
+CH$LINK: INCHIKEY IZUSQHCHSMJXLV-DEGMBRQQSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 68-1020
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.426 min
+MS$FOCUSED_ION: BASE_PEAK 1003.4519
+MS$FOCUSED_ION: PRECURSOR_M/Z 981.4695
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 3874372.45
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00dr-0000920273-1a9fd6c2a4bdfbdfb7c0
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  74.0602 C3H8NO+ 2 74.06 1.99
+  86.0966 C5H12N+ 1 86.0964 1.65
+  142.0864 C7H12NO2+ 2 142.0863 1.11
+  167.0816 C5H14ClN3O+ 2 167.082 -2.06
+  197.0926 C6H16ClN3O2+ 2 197.0926 0.25
+  421.2445 C18H36ClN5O4+ 11 421.245 -1.25
+  439.2553 C21H35N4O6+ 11 439.2551 0.52
+  521.2158 C28H31N3O7+ 15 521.2157 0.25
+  622.2604 C27H39ClN8O7+ 20 622.2625 -3.27
+  721.3333 C39H49N2O11+ 13 721.3331 0.32
+  804.3708 C37H59ClN3O14+ 11 804.368 3.47
+  822.3806 C43H56N3O13+ 10 822.3808 -0.25
+  864.3869 C43H56N6O13+ 2 864.39 -3.57
+  935.4518 C45H68ClN6O13+ 1 935.4527 -0.98
+  945.4493 C45H66ClN8O12+ 1 945.4483 0.99
+  963.4583 C45H68ClN8O13+ 1 963.4589 -0.56
+PK$NUM_PEAK: 16
+PK$PEAK: m/z int. rel.int.
+  74.0602 8418.2 23
+  86.0966 10998.3 31
+  142.0864 15226 42
+  167.0816 6538.5 18
+  197.0926 13579.5 38
+  421.2445 60212 169
+  439.2553 353839.8 999
+  521.2158 102682.8 289
+  622.2604 16158.9 45
+  721.3333 113189.2 319
+  804.3708 39824.3 112
+  822.3806 251177.1 709
+  864.3869 44604.6 125
+  935.4518 16680.1 47
+  945.4493 109923.4 310
+  963.4583 33453.4 94
+//
diff --git a/Eawag/MSBNK-MLU-ED068403.txt b/Eawag/MSBNK-MLU-ED068403.txt
new file mode 100644
index 0000000000..710947d59f
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED068403.txt
@@ -0,0 +1,90 @@
+ACCESSION: MSBNK-MLU-ED068403
+RECORD_TITLE: Scyptolin A; LC-ESI-QFT; MS2; CE: 25%; R=17500; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Enke [dtc], H. Enke [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 684
+CH$NAME: Scyptolin A
+CH$NAME: (2R,3R)-2-[[(2R)-2-(butanoylamino)propanoyl]amino]-N-[(2R,5S,8R,11R,12R,15S,18S,21S)-5-[(3-chloro-4-hydroxyphenyl)methyl]-21-hydroxy-2-[(1R)-1-hydroxyethyl]-4,11-dimethyl-15-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]-3-hydroxybutanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C45H69ClN8O14
+CH$EXACT_MASS: 980.4621766
+CH$SMILES: C[C@H]1OC([C@H](NC([C@@H](N(C([C@H](N2C([C@H](CC[C@@H]2O)NC([C@@H](NC([C@@H]1NC([C@H](NC([C@H](NC(CCC)=O)C)=O)[C@@H](C)O)=O)=O)CC(C)C)=O)=O)[C@@H](C)O)=O)C)CC(C=C3)=CC(Cl)=C3O)=O)C(C)C)=O
+CH$IUPAC: InChI=1S/C45H69ClN8O14/c1-11-12-32(58)47-22(6)38(60)51-35(23(7)55)41(63)52-36-25(9)68-45(67)34(21(4)5)50-40(62)30(19-26-13-15-31(57)27(46)18-26)53(10)44(66)37(24(8)56)54-33(59)16-14-28(43(54)65)48-39(61)29(17-20(2)3)49-42(36)64/h13,15,18,20-25,28-30,33-37,55-57,59H,11-12,14,16-17,19H2,1-10H3,(H,47,58)(H,48,61)(H,49,64)(H,50,62)(H,51,60)(H,52,63)/t22-,23-,24-,25-,28+,29+,30+,33+,34-,35-,36-,37-/m1/s1
+CH$LINK: PUBCHEM CID:155802125
+CH$LINK: INCHIKEY IZUSQHCHSMJXLV-DEGMBRQQSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 68-1020
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.426 min
+MS$FOCUSED_ION: BASE_PEAK 1003.4519
+MS$FOCUSED_ION: PRECURSOR_M/Z 981.4695
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 3874372.45
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0a4i-0209400000-29fa92e8ec5eb1873929
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  74.0601 C3H8NO+ 1 74.06 1.37
+  86.0964 C5H12N+ 1 86.0964 -0.65
+  114.0913 C6H12NO+ 2 114.0913 -0.58
+  142.0861 C7H12NO2+ 2 142.0863 -0.82
+  179.0812 C9H11N2O2+ 3 179.0815 -1.77
+  184.0523 C9H11ClNO+ 2 184.0524 -0.12
+  185.0925 C5H16ClN3O2+ 2 185.0926 -0.33
+  197.0924 C6H16ClN3O2+ 2 197.0926 -0.92
+  197.129 C10H17N2O2+ 2 197.1285 2.75
+  243.1344 C11H19N2O4+ 3 243.1339 2.08
+  252.1708 C13H22N3O2+ 6 252.1707 0.59
+  298.1768 H26N8O10+ 7 298.1766 0.67
+  308.1606 C15H22N3O4+ 9 308.1605 0.46
+  310.1763 C15H24N3O4+ 9 310.1761 0.39
+  326.1712 C15H24N3O5+ 10 326.171 0.62
+  367.2334 C18H31N4O4+ 11 367.234 -1.71
+  390.1216 C17H19ClN6O3+ 12 390.1202 3.74
+  408.1321 C8H22N7O12+ 11 408.1321 0.05
+  421.2443 C18H36ClN5O4+ 13 421.245 -1.76
+  493.221 C24H34ClN4O5+ 14 493.2212 -0.42
+  539.2246 C28H33N3O8+ 14 539.2262 -3.03
+  622.2611 C27H39ClN8O7+ 19 622.2625 -2.19
+  705.3009 C36H43N5O10+ 15 705.3004 0.66
+  804.3644 C37H59ClN3O14+ 7 804.368 -4.43
+PK$NUM_PEAK: 24
+PK$PEAK: m/z int. rel.int.
+  74.0601 19805.4 40
+  86.0964 36943.6 75
+  114.0913 11714 23
+  142.0861 56928.8 116
+  179.0812 12005.5 24
+  184.0523 86735.9 176
+  185.0925 26046.2 53
+  197.0924 60848.6 124
+  197.129 10098.5 20
+  243.1344 10244.3 20
+  252.1708 16696.2 34
+  298.1768 40443.8 82
+  308.1606 489662 999
+  310.1763 6956.2 14
+  326.1712 377781 770
+  367.2334 14452.2 29
+  390.1216 118573.2 241
+  408.1321 387999.5 791
+  421.2443 65926.8 134
+  493.221 25764.9 52
+  539.2246 18286.2 37
+  622.2611 13658.2 27
+  705.3009 43891.1 89
+  804.3644 13874.5 28
+//
diff --git a/Eawag/MSBNK-MLU-ED068404.txt b/Eawag/MSBNK-MLU-ED068404.txt
new file mode 100644
index 0000000000..8777a8a6d6
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED068404.txt
@@ -0,0 +1,108 @@
+ACCESSION: MSBNK-MLU-ED068404
+RECORD_TITLE: Scyptolin A; LC-ESI-QFT; MS2; CE: 30%; R=17500; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Enke [dtc], H. Enke [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 684
+CH$NAME: Scyptolin A
+CH$NAME: (2R,3R)-2-[[(2R)-2-(butanoylamino)propanoyl]amino]-N-[(2R,5S,8R,11R,12R,15S,18S,21S)-5-[(3-chloro-4-hydroxyphenyl)methyl]-21-hydroxy-2-[(1R)-1-hydroxyethyl]-4,11-dimethyl-15-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]-3-hydroxybutanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C45H69ClN8O14
+CH$EXACT_MASS: 980.4621766
+CH$SMILES: C[C@H]1OC([C@H](NC([C@@H](N(C([C@H](N2C([C@H](CC[C@@H]2O)NC([C@@H](NC([C@@H]1NC([C@H](NC([C@H](NC(CCC)=O)C)=O)[C@@H](C)O)=O)=O)CC(C)C)=O)=O)[C@@H](C)O)=O)C)CC(C=C3)=CC(Cl)=C3O)=O)C(C)C)=O
+CH$IUPAC: InChI=1S/C45H69ClN8O14/c1-11-12-32(58)47-22(6)38(60)51-35(23(7)55)41(63)52-36-25(9)68-45(67)34(21(4)5)50-40(62)30(19-26-13-15-31(57)27(46)18-26)53(10)44(66)37(24(8)56)54-33(59)16-14-28(43(54)65)48-39(61)29(17-20(2)3)49-42(36)64/h13,15,18,20-25,28-30,33-37,55-57,59H,11-12,14,16-17,19H2,1-10H3,(H,47,58)(H,48,61)(H,49,64)(H,50,62)(H,51,60)(H,52,63)/t22-,23-,24-,25-,28+,29+,30+,33+,34-,35-,36-,37-/m1/s1
+CH$LINK: PUBCHEM CID:155802125
+CH$LINK: INCHIKEY IZUSQHCHSMJXLV-DEGMBRQQSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 68-1020
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.426 min
+MS$FOCUSED_ION: BASE_PEAK 1003.4519
+MS$FOCUSED_ION: PRECURSOR_M/Z 981.4695
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 3874372.45
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0a4i-1918300000-04584480264441fdaadb
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  74.0602 C3H8NO+ 2 74.06 1.88
+  86.0965 C5H12N+ 1 86.0964 1.12
+  114.0911 C6H12NO+ 1 114.0913 -2.25
+  141.0658 C6H9N2O2+ 2 141.0659 -0.38
+  141.102 C7H13N2O+ 2 141.1022 -1.52
+  142.0862 C7H12NO2+ 2 142.0863 -0.07
+  153.0658 C7H9N2O2+ 2 153.0659 -0.4
+  167.0815 C5H14ClN3O+ 2 167.082 -2.79
+  169.0972 C8H13N2O2+ 2 169.0972 0.12
+  169.1332 C9H17N2O+ 2 169.1335 -1.91
+  179.0815 C9H11N2O2+ 3 179.0815 -0.15
+  184.0524 C9H11ClNO+ 2 184.0524 0.29
+  185.0921 C8H13N2O3+ 3 185.0921 0.32
+  197.129 C10H17N2O2+ 2 197.1285 2.91
+  221.1288 C9H20ClN3O+ 2 221.1289 -0.75
+  225.1227 C11H17N2O3+ 3 225.1234 -3.1
+  226.1552 C8H23ClN4O+ 4 226.1555 -1.46
+  243.1334 C11H19N2O4+ 4 243.1339 -2.31
+  252.1709 C10H25ClN4O+ 6 252.1711 -0.86
+  265.155 C11H24ClN3O2+ 5 265.1552 -0.73
+  280.1659 C11H25ClN4O2+ 7 280.1661 -0.55
+  308.1607 C15H22N3O4+ 8 308.1605 0.76
+  310.1763 C15H24N3O4+ 9 310.1761 0.39
+  326.1712 C15H24N3O5+ 8 326.171 0.34
+  329.1253 C17H13N8+ 8 329.1258 -1.35
+  367.2332 C18H31N4O4+ 11 367.234 -2.12
+  390.1221 C17H19ClN6O3+ 12 390.1202 4.83
+  408.1323 C8H22N7O12+ 12 408.1321 0.43
+  421.2454 C18H36ClN5O4+ 11 421.245 0.92
+  439.2548 C21H35N4O6+ 11 439.2551 -0.59
+  448.2005 C27H24N6O+ 15 448.2006 -0.32
+  521.2155 C28H31N3O7+ 15 521.2157 -0.21
+  705.2974 C43H40ClN7O+ 16 705.2977 -0.52
+PK$NUM_PEAK: 33
+PK$PEAK: m/z int. rel.int.
+  74.0602 44065.7 81
+  86.0965 62611.8 116
+  114.0911 42464.1 78
+  141.0658 11174.3 20
+  141.102 7615.9 14
+  142.0862 223478.3 415
+  153.0658 18131.2 33
+  167.0815 138655.8 257
+  169.0972 61032.1 113
+  169.1332 7282.4 13
+  179.0815 67904.4 126
+  184.0524 270288.5 502
+  185.0921 64995.1 120
+  197.129 10100.9 18
+  221.1288 7582.4 14
+  225.1227 30726.6 57
+  226.1552 13915.8 25
+  243.1334 14580.5 27
+  252.1709 66032.9 122
+  265.155 17826.1 33
+  280.1659 39639.3 73
+  308.1607 537854.8 999
+  310.1763 17415 32
+  326.1712 170238.4 316
+  329.1253 32220.2 59
+  367.2332 27897.7 51
+  390.1221 123382.8 229
+  408.1323 266543.2 495
+  421.2454 32311.2 60
+  439.2548 18588.4 34
+  448.2005 37567.2 69
+  521.2155 38434 71
+  705.2974 21962.2 40
+//
diff --git a/Eawag/MSBNK-MLU-ED068405.txt b/Eawag/MSBNK-MLU-ED068405.txt
new file mode 100644
index 0000000000..cedab65c9b
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED068405.txt
@@ -0,0 +1,128 @@
+ACCESSION: MSBNK-MLU-ED068405
+RECORD_TITLE: Scyptolin A; LC-ESI-QFT; MS2; CE: 40%; R=17500; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Enke [dtc], H. Enke [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 684
+CH$NAME: Scyptolin A
+CH$NAME: (2R,3R)-2-[[(2R)-2-(butanoylamino)propanoyl]amino]-N-[(2R,5S,8R,11R,12R,15S,18S,21S)-5-[(3-chloro-4-hydroxyphenyl)methyl]-21-hydroxy-2-[(1R)-1-hydroxyethyl]-4,11-dimethyl-15-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]-3-hydroxybutanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C45H69ClN8O14
+CH$EXACT_MASS: 980.4621766
+CH$SMILES: C[C@H]1OC([C@H](NC([C@@H](N(C([C@H](N2C([C@H](CC[C@@H]2O)NC([C@@H](NC([C@@H]1NC([C@H](NC([C@H](NC(CCC)=O)C)=O)[C@@H](C)O)=O)=O)CC(C)C)=O)=O)[C@@H](C)O)=O)C)CC(C=C3)=CC(Cl)=C3O)=O)C(C)C)=O
+CH$IUPAC: InChI=1S/C45H69ClN8O14/c1-11-12-32(58)47-22(6)38(60)51-35(23(7)55)41(63)52-36-25(9)68-45(67)34(21(4)5)50-40(62)30(19-26-13-15-31(57)27(46)18-26)53(10)44(66)37(24(8)56)54-33(59)16-14-28(43(54)65)48-39(61)29(17-20(2)3)49-42(36)64/h13,15,18,20-25,28-30,33-37,55-57,59H,11-12,14,16-17,19H2,1-10H3,(H,47,58)(H,48,61)(H,49,64)(H,50,62)(H,51,60)(H,52,63)/t22-,23-,24-,25-,28+,29+,30+,33+,34-,35-,36-,37-/m1/s1
+CH$LINK: PUBCHEM CID:155802125
+CH$LINK: INCHIKEY IZUSQHCHSMJXLV-DEGMBRQQSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 68-1020
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.426 min
+MS$FOCUSED_ION: BASE_PEAK 1003.4519
+MS$FOCUSED_ION: PRECURSOR_M/Z 981.4695
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 3874372.45
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00lu-1910000000-09e0bfb537e3822c9fd9
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  68.0495 C4H6N+ 1 68.0495 0.23
+  74.0601 C3H8NO+ 1 74.06 1.47
+  80.0494 C5H6N+ 1 80.0495 -1.47
+  84.0444 C4H6NO+ 1 84.0444 0.19
+  86.0964 C5H12N+ 1 86.0964 0.15
+  112.1125 C7H14N+ 1 112.1121 3.66
+  114.0914 C6H12NO+ 2 114.0913 0.35
+  123.0915 C7H11N2+ 1 123.0917 -1.68
+  124.1121 C8H14N+ 1 124.1121 0.31
+  125.0712 C3H12ClN3+ 2 125.0714 -1.52
+  136.0394 C7H6NO2+ 2 136.0393 0.55
+  136.1114 C9H14N+ 1 136.1121 -4.62
+  139.0866 C7H11N2O+ 2 139.0866 -0.02
+  141.0657 C6H9N2O2+ 2 141.0659 -0.81
+  141.1022 C7H13N2O+ 2 141.1022 -0.01
+  142.0863 C7H12NO2+ 2 142.0863 0.47
+  151.0866 C8H11N2O+ 2 151.0866 -0.13
+  153.0657 C7H9N2O2+ 3 153.0659 -1.2
+  155.0814 C7H11N2O2+ 2 155.0815 -0.5
+  157.0975 C4H16ClN3O+ 2 157.0976 -1.18
+  167.0815 C5H14ClN3O+ 3 167.082 -3.15
+  169.0971 C8H13N2O2+ 3 169.0972 -0.15
+  169.1337 C9H17N2O+ 2 169.1335 1.16
+  179.0815 C9H11N2O2+ 3 179.0815 0.02
+  184.0524 C9H11ClNO+ 2 184.0524 0.05
+  185.0918 C8H13N2O3+ 3 185.0921 -1.41
+  197.1279 C10H17N2O2+ 3 197.1285 -2.98
+  221.129 C9H20ClN3O+ 2 221.1289 0.21
+  225.1232 C11H17N2O3+ 3 225.1234 -0.59
+  226.1551 C8H23ClN4O+ 4 226.1555 -1.66
+  237.1605 H29O13+ 5 237.1603 1.16
+  243.1347 C11H19N2O4+ 4 243.1339 3.03
+  250.0637 C4H14N2O10+ 5 250.0643 -2.47
+  252.1708 C13H22N3O2+ 6 252.1707 0.47
+  265.1546 C14H21N2O3+ 6 265.1547 -0.39
+  280.1661 C11H25ClN4O2+ 9 280.1661 0
+  282.1452 C10H23ClN4O3+ 6 282.1453 -0.26
+  298.1773 H26N8O10+ 7 298.1766 2.1
+  308.1606 C15H22N3O4+ 9 308.1605 0.26
+  390.1213 C17H19ClN6O3+ 11 390.1202 2.96
+  408.1315 C22H20N2O6+ 11 408.1316 -0.12
+  420.2052 C8H33ClN8O9+ 13 420.2054 -0.29
+  448.2008 C27H24N6O+ 15 448.2006 0.36
+PK$NUM_PEAK: 43
+PK$PEAK: m/z int. rel.int.
+  68.0495 34171 71
+  74.0601 112039.9 235
+  80.0494 10544.2 22
+  84.0444 15001.5 31
+  86.0964 110105.5 230
+  112.1125 11060.6 23
+  114.0914 165433.3 347
+  123.0915 10832.9 22
+  124.1121 14260 29
+  125.0712 9895.2 20
+  136.0394 20081.1 42
+  136.1114 7224.2 15
+  139.0866 29258 61
+  141.0657 27245.1 57
+  141.1022 65312.4 136
+  142.0863 344120.4 721
+  151.0866 76248.2 159
+  153.0657 53421.6 112
+  155.0814 11950.2 25
+  157.0975 13483.6 28
+  167.0815 201139.6 421
+  169.0971 234182.8 491
+  169.1337 17292.9 36
+  179.0815 174041 365
+  184.0524 476263.5 999
+  185.0918 66804.8 140
+  197.1279 23025.5 48
+  221.129 16307.2 34
+  225.1232 59988.2 125
+  226.1551 37837.9 79
+  237.1605 18746.5 39
+  243.1347 9805.2 20
+  250.0637 16815.9 35
+  252.1708 157150.1 329
+  265.1546 27082.8 56
+  280.1661 17166.7 36
+  282.1452 17996.5 37
+  298.1773 15139.2 31
+  308.1606 142979.5 299
+  390.1213 18549.2 38
+  408.1315 29610.7 62
+  420.2052 18855.7 39
+  448.2008 11514.8 24
+//
diff --git a/Eawag/MSBNK-MLU-ED068406.txt b/Eawag/MSBNK-MLU-ED068406.txt
new file mode 100644
index 0000000000..1f2b57a9e3
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED068406.txt
@@ -0,0 +1,140 @@
+ACCESSION: MSBNK-MLU-ED068406
+RECORD_TITLE: Scyptolin A; LC-ESI-QFT; MS2; CE: 50%; R=17500; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Enke [dtc], H. Enke [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 684
+CH$NAME: Scyptolin A
+CH$NAME: (2R,3R)-2-[[(2R)-2-(butanoylamino)propanoyl]amino]-N-[(2R,5S,8R,11R,12R,15S,18S,21S)-5-[(3-chloro-4-hydroxyphenyl)methyl]-21-hydroxy-2-[(1R)-1-hydroxyethyl]-4,11-dimethyl-15-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]-3-hydroxybutanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C45H69ClN8O14
+CH$EXACT_MASS: 980.4621766
+CH$SMILES: C[C@H]1OC([C@H](NC([C@@H](N(C([C@H](N2C([C@H](CC[C@@H]2O)NC([C@@H](NC([C@@H]1NC([C@H](NC([C@H](NC(CCC)=O)C)=O)[C@@H](C)O)=O)=O)CC(C)C)=O)=O)[C@@H](C)O)=O)C)CC(C=C3)=CC(Cl)=C3O)=O)C(C)C)=O
+CH$IUPAC: InChI=1S/C45H69ClN8O14/c1-11-12-32(58)47-22(6)38(60)51-35(23(7)55)41(63)52-36-25(9)68-45(67)34(21(4)5)50-40(62)30(19-26-13-15-31(57)27(46)18-26)53(10)44(66)37(24(8)56)54-33(59)16-14-28(43(54)65)48-39(61)29(17-20(2)3)49-42(36)64/h13,15,18,20-25,28-30,33-37,55-57,59H,11-12,14,16-17,19H2,1-10H3,(H,47,58)(H,48,61)(H,49,64)(H,50,62)(H,51,60)(H,52,63)/t22-,23-,24-,25-,28+,29+,30+,33+,34-,35-,36-,37-/m1/s1
+CH$LINK: PUBCHEM CID:155802125
+CH$LINK: INCHIKEY IZUSQHCHSMJXLV-DEGMBRQQSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 68-1020
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.426 min
+MS$FOCUSED_ION: BASE_PEAK 1003.4519
+MS$FOCUSED_ION: PRECURSOR_M/Z 981.4695
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 3874372.45
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0159-2900000000-85fb8f81fd083ff90d03
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  68.0497 C4H6N+ 1 68.0495 2.69
+  70.0652 C4H8N+ 1 70.0651 0.36
+  71.0492 C4H7O+ 1 71.0491 0.18
+  74.0602 C3H8NO+ 1 74.06 1.58
+  80.0495 C5H6N+ 1 80.0495 0.62
+  82.0652 C5H8N+ 1 82.0651 1.08
+  84.0444 C4H6NO+ 1 84.0444 0.65
+  86.0965 C5H12N+ 1 86.0964 0.86
+  96.0807 C6H10N+ 1 96.0808 -0.61
+  97.076 C5H9N2+ 1 97.076 -0.34
+  106.0652 C7H8N+ 1 106.0651 0.47
+  108.0811 C7H10N+ 1 108.0808 3.42
+  110.06 C6H8NO+ 1 110.06 -0.58
+  111.0918 C6H11N2+ 1 111.0917 1.34
+  112.0394 C5H6NO2+ 2 112.0393 1.02
+  112.1122 C7H14N+ 1 112.1121 1.35
+  113.071 C5H9N2O+ 2 113.0709 0.6
+  114.0914 C6H12NO+ 2 114.0913 0.49
+  123.0918 C7H11N2+ 1 123.0917 0.62
+  124.0757 C7H10NO+ 2 124.0757 -0.3
+  124.112 C8H14N+ 1 124.1121 -0.61
+  126.0912 C7H12NO+ 2 126.0913 -1.03
+  134.0602 C8H8NO+ 2 134.06 1.26
+  136.0397 C7H6NO2+ 2 136.0393 2.68
+  139.0866 C7H11N2O+ 2 139.0866 -0.02
+  141.0659 C6H9N2O2+ 2 141.0659 0.05
+  141.1022 C7H13N2O+ 2 141.1022 -0.12
+  141.1386 C8H17N2+ 1 141.1386 0.04
+  142.0864 C7H12NO2+ 2 142.0863 1.01
+  149.0835 C9H11NO+ 2 149.0835 -0.33
+  151.0866 C8H11N2O+ 2 151.0866 0.27
+  153.0659 C7H9N2O2+ 2 153.0659 0.4
+  155.0816 C7H11N2O2+ 2 155.0815 0.39
+  162.0549 C9H8NO2+ 3 162.055 -0.59
+  167.0816 C5H14ClN3O+ 2 167.082 -2.15
+  169.0973 C8H13N2O2+ 2 169.0972 0.57
+  169.1336 C9H17N2O+ 2 169.1335 0.52
+  179.0816 C9H11N2O2+ 2 179.0815 0.54
+  184.0524 C9H11ClNO+ 2 184.0524 0.38
+  185.0927 C5H16ClN3O2+ 2 185.0926 0.9
+  187.1443 C9H19N2O2+ 2 187.1441 0.82
+  197.0926 C6H16ClN3O2+ 2 197.0926 0.17
+  197.129 C10H17N2O2+ 2 197.1285 2.83
+  225.1233 C11H17N2O3+ 3 225.1234 -0.25
+  226.1562 C8H23ClN4O+ 3 226.1555 2.93
+  238.1192 C8H19ClN4O2+ 3 238.1191 0.31
+  250.0636 C4H14N2O10+ 5 250.0643 -2.65
+  252.1711 C10H25ClN4O+ 5 252.1711 -0.31
+  254.1507 C9H23ClN4O2+ 5 254.1504 1.21
+PK$NUM_PEAK: 49
+PK$PEAK: m/z int. rel.int.
+  68.0497 120954.2 272
+  70.0652 17171.1 38
+  71.0492 16645 37
+  74.0602 176499.8 398
+  80.0495 41842.1 94
+  82.0652 20175.8 45
+  84.0444 35223.8 79
+  86.0965 125541.4 283
+  96.0807 26442.3 59
+  97.076 19458.9 43
+  106.0652 9939.4 22
+  108.0811 9300.3 20
+  110.06 14480.3 32
+  111.0918 5785.3 13
+  112.0394 16001.7 36
+  112.1122 31607.8 71
+  113.071 20253.2 45
+  114.0914 202177.2 455
+  123.0918 47290.1 106
+  124.0757 54789.2 123
+  124.112 27061.4 61
+  126.0912 48061.4 108
+  134.0602 7122.2 16
+  136.0397 30546.5 68
+  139.0866 86897.6 195
+  141.0659 36957.7 83
+  141.1022 99341.3 224
+  141.1386 14638.7 33
+  142.0864 168640.6 380
+  149.0835 10947.3 24
+  151.0866 161303.7 363
+  153.0659 42544.7 95
+  155.0816 32466.5 73
+  162.0549 13596.9 30
+  167.0816 105988.8 239
+  169.0973 222686.2 502
+  169.1336 19332.8 43
+  179.0816 125797.4 283
+  184.0524 442954 999
+  185.0927 33992.6 76
+  187.1443 8160.4 18
+  197.0926 58326.5 131
+  197.129 21772.8 49
+  225.1233 44335.8 99
+  226.1562 14813.9 33
+  238.1192 13865 31
+  250.0636 42971.2 96
+  252.1711 73106.8 164
+  254.1507 10283.4 23
+//
diff --git a/Eawag/MSBNK-MLU-ED068407.txt b/Eawag/MSBNK-MLU-ED068407.txt
new file mode 100644
index 0000000000..f4c95597d7
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED068407.txt
@@ -0,0 +1,140 @@
+ACCESSION: MSBNK-MLU-ED068407
+RECORD_TITLE: Scyptolin A; LC-ESI-QFT; MS2; CE: 60%; R=17500; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Enke [dtc], H. Enke [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 684
+CH$NAME: Scyptolin A
+CH$NAME: (2R,3R)-2-[[(2R)-2-(butanoylamino)propanoyl]amino]-N-[(2R,5S,8R,11R,12R,15S,18S,21S)-5-[(3-chloro-4-hydroxyphenyl)methyl]-21-hydroxy-2-[(1R)-1-hydroxyethyl]-4,11-dimethyl-15-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]-3-hydroxybutanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C45H69ClN8O14
+CH$EXACT_MASS: 980.4621766
+CH$SMILES: C[C@H]1OC([C@H](NC([C@@H](N(C([C@H](N2C([C@H](CC[C@@H]2O)NC([C@@H](NC([C@@H]1NC([C@H](NC([C@H](NC(CCC)=O)C)=O)[C@@H](C)O)=O)=O)CC(C)C)=O)=O)[C@@H](C)O)=O)C)CC(C=C3)=CC(Cl)=C3O)=O)C(C)C)=O
+CH$IUPAC: InChI=1S/C45H69ClN8O14/c1-11-12-32(58)47-22(6)38(60)51-35(23(7)55)41(63)52-36-25(9)68-45(67)34(21(4)5)50-40(62)30(19-26-13-15-31(57)27(46)18-26)53(10)44(66)37(24(8)56)54-33(59)16-14-28(43(54)65)48-39(61)29(17-20(2)3)49-42(36)64/h13,15,18,20-25,28-30,33-37,55-57,59H,11-12,14,16-17,19H2,1-10H3,(H,47,58)(H,48,61)(H,49,64)(H,50,62)(H,51,60)(H,52,63)/t22-,23-,24-,25-,28+,29+,30+,33+,34-,35-,36-,37-/m1/s1
+CH$LINK: PUBCHEM CID:155802125
+CH$LINK: INCHIKEY IZUSQHCHSMJXLV-DEGMBRQQSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 68-1020
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.426 min
+MS$FOCUSED_ION: BASE_PEAK 1003.4519
+MS$FOCUSED_ION: PRECURSOR_M/Z 981.4695
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 3874372.45
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00si-5900000000-88eb682bc34d9f6ee912
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  68.0496 C4H6N+ 1 68.0495 2.36
+  69.0334 C4H5O+ 1 69.0335 -0.73
+  70.0653 C4H8N+ 1 70.0651 2.21
+  71.0492 C4H7O+ 1 71.0491 1.25
+  72.0809 C4H10N+ 1 72.0808 1.55
+  74.0601 C3H8NO+ 1 74.06 1.47
+  80.0495 C5H6N+ 1 80.0495 0.81
+  82.0652 C5H8N+ 1 82.0651 1.08
+  84.0445 C4H6NO+ 1 84.0444 0.74
+  86.0965 C5H12N+ 1 86.0964 0.68
+  96.0443 C5H6NO+ 1 96.0444 -1.08
+  96.0807 C6H10N+ 1 96.0808 -0.53
+  97.0761 C5H9N2+ 1 97.076 0.68
+  98.0602 C5H8NO+ 2 98.06 2.1
+  106.0652 C7H8N+ 1 106.0651 0.97
+  108.0809 C7H10N+ 1 108.0808 1.09
+  110.0602 C6H8NO+ 2 110.06 1.16
+  111.0555 C5H7N2O+ 2 111.0553 1.83
+  111.0918 C6H11N2+ 1 111.0917 0.86
+  112.0394 C5H6NO2+ 2 112.0393 0.81
+  112.112 C7H14N+ 1 112.1121 -0.35
+  114.0914 C6H12NO+ 2 114.0913 0.49
+  123.0918 C7H11N2+ 1 123.0917 0.62
+  124.0756 C7H10NO+ 2 124.0757 -0.36
+  124.1122 C8H14N+ 1 124.1121 1.17
+  125.0714 C3H12ClN3+ 2 125.0714 -0.36
+  126.0915 C7H12NO+ 2 126.0913 1.09
+  130.0865 C6H12NO2+ 2 130.0863 1.69
+  136.0393 C7H6NO2+ 2 136.0393 0.33
+  138.0911 C8H12NO+ 1 138.0913 -1.6
+  139.0866 C7H11N2O+ 2 139.0866 -0.24
+  141.0105 C7H6ClO+ 1 141.0102 2.15
+  141.1022 C7H13N2O+ 2 141.1022 -0.22
+  142.0863 C7H12NO2+ 2 142.0863 0.58
+  142.1226 C8H16NO+ 2 142.1226 -0.45
+  148.0754 C9H10NO+ 1 148.0757 -1.81
+  149.0835 C9H11NO+ 2 149.0835 0.19
+  151.0866 C8H11N2O+ 2 151.0866 -0.23
+  153.0658 C7H9N2O2+ 2 153.0659 -0.5
+  155.0813 C7H11N2O2+ 3 155.0815 -1.09
+  162.0553 C9H8NO2+ 2 162.055 2.33
+  167.0815 C5H14ClN3O+ 2 167.082 -2.88
+  169.097 C8H13N2O2+ 3 169.0972 -0.78
+  179.0817 C9H11N2O2+ 2 179.0815 1.13
+  184.0524 C9H11ClNO+ 2 184.0524 0.21
+  185.0922 C8H13N2O3+ 2 185.0921 0.73
+  197.1287 C10H17N2O2+ 2 197.1285 1.28
+  225.1241 C11H17N2O3+ 3 225.1234 3.27
+  250.0635 C4H14N2O10+ 4 250.0643 -3.08
+PK$NUM_PEAK: 49
+PK$PEAK: m/z int. rel.int.
+  68.0496 275279.2 675
+  69.0334 10544.2 25
+  70.0653 42618.5 104
+  71.0492 22933.7 56
+  72.0809 14889.7 36
+  74.0601 234608.8 575
+  80.0495 91850.4 225
+  82.0652 43163.9 105
+  84.0445 63200.8 155
+  86.0965 126013.3 309
+  96.0443 15957.1 39
+  96.0807 51206.4 125
+  97.0761 28566.1 70
+  98.0602 18498.4 45
+  106.0652 34422 84
+  108.0809 18140.6 44
+  110.0602 24639.5 60
+  111.0555 6456.1 15
+  111.0918 11832.2 29
+  112.0394 21172.1 51
+  112.112 31005.4 76
+  114.0914 117425.4 288
+  123.0918 67194.9 164
+  124.0756 91411 224
+  124.1122 25961.8 63
+  125.0714 28449 69
+  126.0915 35149.1 86
+  130.0865 9745.3 23
+  136.0393 26220 64
+  138.0911 8888.3 21
+  139.0866 119674.6 293
+  141.0105 8825 21
+  141.1022 73007.7 179
+  142.0863 52554.3 128
+  142.1226 7930 19
+  148.0754 26314.6 64
+  149.0835 42494.2 104
+  151.0866 163863.6 402
+  153.0658 23297.5 57
+  155.0813 35626.2 87
+  162.0553 14219.6 34
+  167.0815 56730.7 139
+  169.097 107942.5 264
+  179.0817 57479.8 141
+  184.0524 407152.4 999
+  185.0922 11601.7 28
+  197.1287 13671.2 33
+  225.1241 14442.3 35
+  250.0635 20256.4 49
+//
diff --git a/Eawag/MSBNK-MLU-ED068408.txt b/Eawag/MSBNK-MLU-ED068408.txt
new file mode 100644
index 0000000000..0a76389a48
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED068408.txt
@@ -0,0 +1,156 @@
+ACCESSION: MSBNK-MLU-ED068408
+RECORD_TITLE: Scyptolin A; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Enke [dtc], H. Enke [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 684
+CH$NAME: Scyptolin A
+CH$NAME: (2R,3R)-2-[[(2R)-2-(butanoylamino)propanoyl]amino]-N-[(2R,5S,8R,11R,12R,15S,18S,21S)-5-[(3-chloro-4-hydroxyphenyl)methyl]-21-hydroxy-2-[(1R)-1-hydroxyethyl]-4,11-dimethyl-15-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]-3-hydroxybutanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C45H69ClN8O14
+CH$EXACT_MASS: 980.4621766
+CH$SMILES: C[C@H]1OC([C@H](NC([C@@H](N(C([C@H](N2C([C@H](CC[C@@H]2O)NC([C@@H](NC([C@@H]1NC([C@H](NC([C@H](NC(CCC)=O)C)=O)[C@@H](C)O)=O)=O)CC(C)C)=O)=O)[C@@H](C)O)=O)C)CC(C=C3)=CC(Cl)=C3O)=O)C(C)C)=O
+CH$IUPAC: InChI=1S/C45H69ClN8O14/c1-11-12-32(58)47-22(6)38(60)51-35(23(7)55)41(63)52-36-25(9)68-45(67)34(21(4)5)50-40(62)30(19-26-13-15-31(57)27(46)18-26)53(10)44(66)37(24(8)56)54-33(59)16-14-28(43(54)65)48-39(61)29(17-20(2)3)49-42(36)64/h13,15,18,20-25,28-30,33-37,55-57,59H,11-12,14,16-17,19H2,1-10H3,(H,47,58)(H,48,61)(H,49,64)(H,50,62)(H,51,60)(H,52,63)/t22-,23-,24-,25-,28+,29+,30+,33+,34-,35-,36-,37-/m1/s1
+CH$LINK: PUBCHEM CID:155802125
+CH$LINK: INCHIKEY IZUSQHCHSMJXLV-DEGMBRQQSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 68-1020
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.426 min
+MS$FOCUSED_ION: BASE_PEAK 1003.4519
+MS$FOCUSED_ION: PRECURSOR_M/Z 981.4695
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 3874372.45
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00si-8900000000-cf868bf1b2d017be7785
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  68.0496 C4H6N+ 1 68.0495 2.25
+  69.0335 C4H5O+ 1 69.0335 -0.07
+  69.0573 C4H7N+ 1 69.0573 0.51
+  70.0653 C4H8N+ 1 70.0651 2.86
+  71.0493 C4H7O+ 2 71.0491 2.01
+  72.0809 C4H10N+ 1 72.0808 1.87
+  74.0602 C3H8NO+ 1 74.06 1.58
+  80.0495 C5H6N+ 1 80.0495 0.05
+  82.0652 C5H8N+ 1 82.0651 1.17
+  84.0445 C4H6NO+ 2 84.0444 1.28
+  86.0965 C5H12N+ 1 86.0964 0.41
+  94.065 C6H8N+ 1 94.0651 -1.68
+  96.0443 C5H6NO+ 1 96.0444 -0.76
+  96.0809 C6H10N+ 1 96.0808 1.06
+  97.076 C5H9N2+ 1 97.076 -0.18
+  98.06 C5H8NO+ 1 98.06 -0.08
+  106.0653 C7H8N+ 1 106.0651 1.91
+  107.0492 C7H7O+ 2 107.0491 0.9
+  108.081 C7H10N+ 1 108.0808 2.36
+  110.0599 C6H8NO+ 1 110.06 -1.27
+  111.0918 C6H11N2+ 1 111.0917 1.27
+  112.0393 C5H6NO2+ 2 112.0393 0.34
+  112.0757 C6H10NO+ 2 112.0757 -0.35
+  112.1119 C7H14N+ 1 112.1121 -1.24
+  113.0711 C5H9N2O+ 2 113.0709 1.01
+  114.0915 C6H12NO+ 2 114.0913 1.42
+  120.0809 C8H10N+ 1 120.0808 0.69
+  123.0917 C7H11N2+ 1 123.0917 0.55
+  124.0757 C7H10NO+ 2 124.0757 -0.12
+  124.1121 C8H14N+ 1 124.1121 0.37
+  125.0154 C7H6Cl+ 1 125.0153 0.77
+  126.0914 C7H12NO+ 2 126.0913 0.49
+  127.0862 C6H11N2O+ 1 127.0866 -3.19
+  133.0523 C8H7NO+ 2 133.0522 0.44
+  134.0599 C8H8NO+ 2 134.06 -0.9
+  136.0388 C7H6NO2+ 2 136.0393 -3.6
+  136.112 C9H14N+ 1 136.1121 -0.7
+  138.0914 C8H12NO+ 2 138.0913 0.39
+  139.0866 C7H11N2O+ 2 139.0866 0.09
+  141.0101 C7H6ClO+ 1 141.0102 -0.66
+  141.0658 C6H9N2O2+ 2 141.0659 -0.05
+  141.1022 C7H13N2O+ 2 141.1022 -0.12
+  141.1383 C8H17N2+ 1 141.1386 -2.55
+  142.086 C7H12NO2+ 3 142.0863 -1.46
+  148.0757 C9H10NO+ 2 148.0757 0.15
+  149.0833 C9H11NO+ 2 149.0835 -1.35
+  151.0867 C8H11N2O+ 2 151.0866 0.47
+  153.0104 C8H6ClO+ 1 153.0102 1.53
+  153.0657 C7H9N2O2+ 3 153.0659 -1.1
+  155.0255 C8H8ClO+ 1 155.0258 -1.84
+  155.0817 C7H11N2O2+ 2 155.0815 1.17
+  167.0817 C5H14ClN3O+ 2 167.082 -1.96
+  168.0204 C8H7ClNO+ 3 168.0211 -3.78
+  169.0969 C8H13N2O2+ 3 169.0972 -1.59
+  179.0817 C9H11N2O2+ 2 179.0815 1.05
+  184.0524 C9H11ClNO+ 2 184.0524 0.21
+  250.0646 C4H14N2O10+ 4 250.0643 1.07
+PK$NUM_PEAK: 57
+PK$PEAK: m/z int. rel.int.
+  68.0496 356231 999
+  69.0335 10026.4 28
+  69.0573 9596.9 26
+  70.0653 47455.8 133
+  71.0493 21926.9 61
+  72.0809 10593.8 29
+  74.0602 212196.4 595
+  80.0495 103805.2 291
+  82.0652 39956.2 112
+  84.0445 78616.6 220
+  86.0965 75527.2 211
+  94.065 18674.5 52
+  96.0443 16147.4 45
+  96.0809 77741.6 218
+  97.076 27998 78
+  98.06 27186 76
+  106.0653 26491.7 74
+  107.0492 7125.2 19
+  108.081 12072.3 33
+  110.0599 15226.4 42
+  111.0918 16467 46
+  112.0393 20220.3 56
+  112.0757 7441.5 20
+  112.1119 15751.6 44
+  113.0711 11748.4 32
+  114.0915 46785 131
+  120.0809 14785.4 41
+  123.0917 55055.5 154
+  124.0757 94738.2 265
+  124.1121 15379.8 43
+  125.0154 7567 21
+  126.0914 29895.1 83
+  127.0862 7745.1 21
+  133.0523 13536.3 37
+  134.0599 16440.2 46
+  136.0388 13582.9 38
+  136.112 12855.1 36
+  138.0914 5674.3 15
+  139.0866 68425 191
+  141.0101 18490.7 51
+  141.0658 8645.7 24
+  141.1022 36235 101
+  141.1383 6169.5 17
+  142.086 11849.7 33
+  148.0757 51328.5 143
+  149.0833 86945.4 243
+  151.0867 87304.2 244
+  153.0104 7034.6 19
+  153.0657 10586.2 29
+  155.0255 19578.3 54
+  155.0817 11801.9 33
+  167.0817 17646 49
+  168.0204 4956.8 13
+  169.0969 26220.8 73
+  179.0817 14660.1 41
+  184.0524 220497.8 618
+  250.0646 9063.5 25
+//
diff --git a/Eawag/MSBNK-MLU-ED068409.txt b/Eawag/MSBNK-MLU-ED068409.txt
new file mode 100644
index 0000000000..c9d58abdae
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED068409.txt
@@ -0,0 +1,130 @@
+ACCESSION: MSBNK-MLU-ED068409
+RECORD_TITLE: Scyptolin A; LC-ESI-QFT; MS2; CE: 80%; R=17500; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Enke [dtc], H. Enke [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 684
+CH$NAME: Scyptolin A
+CH$NAME: (2R,3R)-2-[[(2R)-2-(butanoylamino)propanoyl]amino]-N-[(2R,5S,8R,11R,12R,15S,18S,21S)-5-[(3-chloro-4-hydroxyphenyl)methyl]-21-hydroxy-2-[(1R)-1-hydroxyethyl]-4,11-dimethyl-15-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]-3-hydroxybutanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C45H69ClN8O14
+CH$EXACT_MASS: 980.4621766
+CH$SMILES: C[C@H]1OC([C@H](NC([C@@H](N(C([C@H](N2C([C@H](CC[C@@H]2O)NC([C@@H](NC([C@@H]1NC([C@H](NC([C@H](NC(CCC)=O)C)=O)[C@@H](C)O)=O)=O)CC(C)C)=O)=O)[C@@H](C)O)=O)C)CC(C=C3)=CC(Cl)=C3O)=O)C(C)C)=O
+CH$IUPAC: InChI=1S/C45H69ClN8O14/c1-11-12-32(58)47-22(6)38(60)51-35(23(7)55)41(63)52-36-25(9)68-45(67)34(21(4)5)50-40(62)30(19-26-13-15-31(57)27(46)18-26)53(10)44(66)37(24(8)56)54-33(59)16-14-28(43(54)65)48-39(61)29(17-20(2)3)49-42(36)64/h13,15,18,20-25,28-30,33-37,55-57,59H,11-12,14,16-17,19H2,1-10H3,(H,47,58)(H,48,61)(H,49,64)(H,50,62)(H,51,60)(H,52,63)/t22-,23-,24-,25-,28+,29+,30+,33+,34-,35-,36-,37-/m1/s1
+CH$LINK: PUBCHEM CID:155802125
+CH$LINK: INCHIKEY IZUSQHCHSMJXLV-DEGMBRQQSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 68-1020
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.426 min
+MS$FOCUSED_ION: BASE_PEAK 1003.4519
+MS$FOCUSED_ION: PRECURSOR_M/Z 981.4695
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 3874372.45
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-01c1-9500000000-0e0109f6a7bad916c03b
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  68.0497 C4H6N+ 1 68.0495 2.69
+  69.0336 C4H5O+ 1 69.0335 1.7
+  69.0575 C4H7N+ 1 69.0573 2.28
+  70.0653 C4H8N+ 1 70.0651 2.1
+  71.0492 C4H7O+ 1 71.0491 1.47
+  72.0809 C4H10N+ 1 72.0808 1.97
+  74.0602 C3H8NO+ 2 74.06 1.68
+  79.0544 C6H7+ 1 79.0542 2.01
+  80.0495 C5H6N+ 1 80.0495 0.72
+  82.0652 C5H8N+ 1 82.0651 0.8
+  83.0604 C4H7N2+ 1 83.0604 0.34
+  84.0445 C4H6NO+ 2 84.0444 1.28
+  84.081 C5H10N+ 1 84.0808 2.73
+  86.0965 C5H12N+ 1 86.0964 0.68
+  94.0652 C6H8N+ 1 94.0651 0.51
+  96.0446 C5H6NO+ 2 96.0444 1.94
+  96.0808 C6H10N+ 1 96.0808 0.19
+  97.0761 C5H9N2+ 1 97.076 1.23
+  98.0602 C5H8NO+ 2 98.06 1.71
+  106.0652 C7H8N+ 1 106.0651 1.04
+  107.0492 C7H7O+ 2 107.0491 0.83
+  108.0811 C7H10N+ 1 108.0808 2.78
+  110.0602 C6H8NO+ 2 110.06 1.16
+  111.0553 C5H7N2O+ 2 111.0553 0.45
+  112.0395 C5H6NO2+ 2 112.0393 1.77
+  112.1122 C7H14N+ 1 112.1121 1.55
+  113.0711 C5H9N2O+ 2 113.0709 1.41
+  114.0917 C6H12NO+ 2 114.0913 3.3
+  120.0808 C8H10N+ 1 120.0808 0.57
+  123.0917 C7H11N2+ 1 123.0917 0.24
+  124.0757 C7H10NO+ 2 124.0757 0.19
+  125.015 C7H6Cl+ 1 125.0153 -1.67
+  133.0525 C8H7NO+ 2 133.0522 2.5
+  134.0604 C8H8NO+ 2 134.06 2.74
+  136.0392 C7H6NO2+ 2 136.0393 -1.02
+  136.1116 C9H14N+ 1 136.1121 -3.28
+  139.0868 C7H11N2O+ 2 139.0866 1.52
+  141.1024 C7H13N2O+ 2 141.1022 0.86
+  148.0756 C9H10NO+ 2 148.0757 -0.57
+  149.0835 C9H11NO+ 2 149.0835 -0.33
+  151.0868 C8H11N2O+ 2 151.0866 1.48
+  155.026 C8H8ClO+ 1 155.0258 1.41
+  169.0288 C8H8ClNO+ 2 169.0289 -0.37
+  184.0523 C9H11ClNO+ 2 184.0524 -0.12
+PK$NUM_PEAK: 44
+PK$PEAK: m/z int. rel.int.
+  68.0497 398714.8 999
+  69.0336 19010.4 47
+  69.0575 13495.4 33
+  70.0653 48339.8 121
+  71.0492 35981.6 90
+  72.0809 17370.4 43
+  74.0602 185647.8 465
+  79.0544 9939.9 24
+  80.0495 151271.8 379
+  82.0652 52565.9 131
+  83.0604 13126.9 32
+  84.0445 75940.9 190
+  84.081 6480.7 16
+  86.0965 56386.5 141
+  94.0652 33719.1 84
+  96.0446 31387.2 78
+  96.0808 86388.4 216
+  97.0761 18837.4 47
+  98.0602 12466.6 31
+  106.0652 40955.9 102
+  107.0492 16818 42
+  108.0811 13461 33
+  110.0602 16942.1 42
+  111.0553 5816.6 14
+  112.0395 18875.6 47
+  112.1122 6283.3 15
+  113.0711 9941.9 24
+  114.0917 23501.3 58
+  120.0808 13807.9 34
+  123.0917 47216.2 118
+  124.0757 71786.9 179
+  125.015 11781 29
+  133.0525 27474.5 68
+  134.0604 19083.8 47
+  136.0392 10833.4 27
+  136.1116 10478 26
+  139.0868 31421.3 78
+  141.1024 9994.2 25
+  148.0756 57329.1 143
+  149.0835 112848.6 282
+  151.0868 37810.7 94
+  155.026 17439.1 43
+  169.0288 30873.5 77
+  184.0523 121225.9 303
+//
diff --git a/Eawag/MSBNK-MLU-ED068451.txt b/Eawag/MSBNK-MLU-ED068451.txt
new file mode 100644
index 0000000000..105d3730e6
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED068451.txt
@@ -0,0 +1,46 @@
+ACCESSION: MSBNK-MLU-ED068451
+RECORD_TITLE: Scyptolin A; LC-ESI-QFT; MS2; CE: 15%; R=17500; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Enke [dtc], H. Enke [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 684
+CH$NAME: Scyptolin A
+CH$NAME: (2R,3R)-2-[[(2R)-2-(butanoylamino)propanoyl]amino]-N-[(2R,5S,8R,11R,12R,15S,18S,21S)-5-[(3-chloro-4-hydroxyphenyl)methyl]-21-hydroxy-2-[(1R)-1-hydroxyethyl]-4,11-dimethyl-15-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]-3-hydroxybutanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C45H69ClN8O14
+CH$EXACT_MASS: 980.4621766
+CH$SMILES: C[C@H]1OC([C@H](NC([C@@H](N(C([C@H](N2C([C@H](CC[C@@H]2O)NC([C@@H](NC([C@@H]1NC([C@H](NC([C@H](NC(CCC)=O)C)=O)[C@@H](C)O)=O)=O)CC(C)C)=O)=O)[C@@H](C)O)=O)C)CC(C=C3)=CC(Cl)=C3O)=O)C(C)C)=O
+CH$IUPAC: InChI=1S/C45H69ClN8O14/c1-11-12-32(58)47-22(6)38(60)51-35(23(7)55)41(63)52-36-25(9)68-45(67)34(21(4)5)50-40(62)30(19-26-13-15-31(57)27(46)18-26)53(10)44(66)37(24(8)56)54-33(59)16-14-28(43(54)65)48-39(61)29(17-20(2)3)49-42(36)64/h13,15,18,20-25,28-30,33-37,55-57,59H,11-12,14,16-17,19H2,1-10H3,(H,47,58)(H,48,61)(H,49,64)(H,50,62)(H,51,60)(H,52,63)/t22-,23-,24-,25-,28+,29+,30+,33+,34-,35-,36-,37-/m1/s1
+CH$LINK: PUBCHEM CID:155802125
+CH$LINK: INCHIKEY IZUSQHCHSMJXLV-DEGMBRQQSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 67-1015
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.449 min
+MS$FOCUSED_ION: BASE_PEAK 979.4553
+MS$FOCUSED_ION: PRECURSOR_M/Z 979.4549
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 3451930.62
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-004l-0000000069-b11b49649ed6a15d04eb
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  891.4037 C43H62ClN5O13- 4 891.4038 -0.18
+  979.4543 C45H68ClN8O14- 1 979.4549 -0.59
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  891.4037 278531.3 707
+  979.4543 393099.6 999
+//
diff --git a/Eawag/MSBNK-MLU-ED068452.txt b/Eawag/MSBNK-MLU-ED068452.txt
new file mode 100644
index 0000000000..d828967cf5
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED068452.txt
@@ -0,0 +1,50 @@
+ACCESSION: MSBNK-MLU-ED068452
+RECORD_TITLE: Scyptolin A; LC-ESI-QFT; MS2; CE: 20%; R=17500; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Enke [dtc], H. Enke [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 684
+CH$NAME: Scyptolin A
+CH$NAME: (2R,3R)-2-[[(2R)-2-(butanoylamino)propanoyl]amino]-N-[(2R,5S,8R,11R,12R,15S,18S,21S)-5-[(3-chloro-4-hydroxyphenyl)methyl]-21-hydroxy-2-[(1R)-1-hydroxyethyl]-4,11-dimethyl-15-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]-3-hydroxybutanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C45H69ClN8O14
+CH$EXACT_MASS: 980.4621766
+CH$SMILES: C[C@H]1OC([C@H](NC([C@@H](N(C([C@H](N2C([C@H](CC[C@@H]2O)NC([C@@H](NC([C@@H]1NC([C@H](NC([C@H](NC(CCC)=O)C)=O)[C@@H](C)O)=O)=O)CC(C)C)=O)=O)[C@@H](C)O)=O)C)CC(C=C3)=CC(Cl)=C3O)=O)C(C)C)=O
+CH$IUPAC: InChI=1S/C45H69ClN8O14/c1-11-12-32(58)47-22(6)38(60)51-35(23(7)55)41(63)52-36-25(9)68-45(67)34(21(4)5)50-40(62)30(19-26-13-15-31(57)27(46)18-26)53(10)44(66)37(24(8)56)54-33(59)16-14-28(43(54)65)48-39(61)29(17-20(2)3)49-42(36)64/h13,15,18,20-25,28-30,33-37,55-57,59H,11-12,14,16-17,19H2,1-10H3,(H,47,58)(H,48,61)(H,49,64)(H,50,62)(H,51,60)(H,52,63)/t22-,23-,24-,25-,28+,29+,30+,33+,34-,35-,36-,37-/m1/s1
+CH$LINK: PUBCHEM CID:155802125
+CH$LINK: INCHIKEY IZUSQHCHSMJXLV-DEGMBRQQSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 67-1015
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.449 min
+MS$FOCUSED_ION: BASE_PEAK 979.4553
+MS$FOCUSED_ION: PRECURSOR_M/Z 979.4549
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 3451930.62
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00ko-0000040069-d12c6f8d396ffb5e0d39
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  568.3098 C36H43ClN3O- 16 568.31 -0.31
+  891.4026 C41H60ClN8O12- 4 891.4025 0.17
+  935.4302 C45H66ClN5O14- 2 935.43 0.19
+  979.4538 C45H68ClN8O14- 1 979.4549 -1.09
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  568.3098 242424.5 658
+  891.4026 367968.7 999
+  935.4302 348579.2 946
+  979.4538 145505.5 395
+//
diff --git a/Eawag/MSBNK-MLU-ED068453.txt b/Eawag/MSBNK-MLU-ED068453.txt
new file mode 100644
index 0000000000..0b654a31bb
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED068453.txt
@@ -0,0 +1,46 @@
+ACCESSION: MSBNK-MLU-ED068453
+RECORD_TITLE: Scyptolin A; LC-ESI-QFT; MS2; CE: 25%; R=17500; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Enke [dtc], H. Enke [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 684
+CH$NAME: Scyptolin A
+CH$NAME: (2R,3R)-2-[[(2R)-2-(butanoylamino)propanoyl]amino]-N-[(2R,5S,8R,11R,12R,15S,18S,21S)-5-[(3-chloro-4-hydroxyphenyl)methyl]-21-hydroxy-2-[(1R)-1-hydroxyethyl]-4,11-dimethyl-15-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]-3-hydroxybutanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C45H69ClN8O14
+CH$EXACT_MASS: 980.4621766
+CH$SMILES: C[C@H]1OC([C@H](NC([C@@H](N(C([C@H](N2C([C@H](CC[C@@H]2O)NC([C@@H](NC([C@@H]1NC([C@H](NC([C@H](NC(CCC)=O)C)=O)[C@@H](C)O)=O)=O)CC(C)C)=O)=O)[C@@H](C)O)=O)C)CC(C=C3)=CC(Cl)=C3O)=O)C(C)C)=O
+CH$IUPAC: InChI=1S/C45H69ClN8O14/c1-11-12-32(58)47-22(6)38(60)51-35(23(7)55)41(63)52-36-25(9)68-45(67)34(21(4)5)50-40(62)30(19-26-13-15-31(57)27(46)18-26)53(10)44(66)37(24(8)56)54-33(59)16-14-28(43(54)65)48-39(61)29(17-20(2)3)49-42(36)64/h13,15,18,20-25,28-30,33-37,55-57,59H,11-12,14,16-17,19H2,1-10H3,(H,47,58)(H,48,61)(H,49,64)(H,50,62)(H,51,60)(H,52,63)/t22-,23-,24-,25-,28+,29+,30+,33+,34-,35-,36-,37-/m1/s1
+CH$LINK: PUBCHEM CID:155802125
+CH$LINK: INCHIKEY IZUSQHCHSMJXLV-DEGMBRQQSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 67-1015
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.449 min
+MS$FOCUSED_ION: BASE_PEAK 979.4553
+MS$FOCUSED_ION: PRECURSOR_M/Z 979.4549
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 3451930.62
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00kf-0000060090-e7f5a2efa0f4224fa3ae
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  568.3098 C36H43ClN3O- 16 568.31 -0.41
+  891.4026 C41H60ClN8O12- 4 891.4025 0.17
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  568.3098 328090.2 768
+  891.4026 426303.8 999
+//
diff --git a/Eawag/MSBNK-MLU-ED070201.txt b/Eawag/MSBNK-MLU-ED070201.txt
new file mode 100644
index 0000000000..d33df1f2e6
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED070201.txt
@@ -0,0 +1,66 @@
+ACCESSION: MSBNK-MLU-ED070201
+RECORD_TITLE: Brunsvicamide C; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Mueller [dtc], G. M. Koenig  [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 702
+CH$NAME: Brunsvicamide C
+CH$NAME: (((3S,6R,9S,12S,15S)-3-benzyl-6-(2-(2-formamidophenyl)-2-oxoethyl)-9-isobutyl-12-isopropyl-7-methyl-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentaazacyclononadecan-15-yl)carbamoyl)-D-isoleucine
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C45H64N8O10
+CH$EXACT_MASS: 876.4745402
+CH$SMILES: CC[C@H]([C@H](C(O)=O)NC(N[C@@H]1C(N[C@H](C(N[C@H](C(N([C@@H](C(N[C@H](C(NCCCC1)=O)CC2=CC=CC=C2)=O)CC(C3=C(NC([H])=O)C=CC=C3)=O)C)=O)CC(C)C)=O)C(C)C)=O)=O)C
+CH$IUPAC: InChI=1S/C45H64N8O10/c1-8-28(6)38(44(61)62)52-45(63)50-32-20-14-15-21-46-39(56)33(23-29-16-10-9-11-17-29)48-41(58)35(24-36(55)30-18-12-13-19-31(30)47-25-54)53(7)43(60)34(22-26(2)3)49-42(59)37(27(4)5)51-40(32)57/h9-13,16-19,25-28,32-35,37-38H,8,14-15,20-24H2,1-7H3,(H,46,56)(H,47,54)(H,48,58)(H,49,59)(H,51,57)(H,61,62)(H2,50,52,63)/t28-,32+,33+,34+,35-,37+,38-/m1/s1
+CH$LINK: PUBCHEM CID:146682035
+CH$LINK: INCHIKEY HQMATMGVGJKSPD-MMHNDARSSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 61-915
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.413 min
+MS$FOCUSED_ION: BASE_PEAK 877.4819
+MS$FOCUSED_ION: PRECURSOR_M/Z 877.4818
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 169176255.35
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-004i-0000000190-b00c4fe2f8becb40267c
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  592.3136 C32H42N5O6+ 5 592.313 1.09
+  601.3337 C44H43NO+ 6 601.3339 -0.37
+  634.2879 C35H42N2O9+ 5 634.2885 -0.96
+  714.4184 C36H56N7O8+ 4 714.4185 -0.07
+  720.4079 C38H54N7O7+ 5 720.4079 0.03
+  733.3559 C38H49N6O9+ 4 733.3556 0.53
+  746.3873 C39H52N7O8+ 4 746.3872 0.17
+  831.477 C44H63N8O8+ 1 831.4763 0.81
+  846.4396 C44H60N7O10+ 1 846.4396 -0.01
+  849.4863 C44H65N8O9+ 1 849.4869 -0.71
+  859.4722 C45H63N8O9+ 1 859.4713 1.11
+  877.4816 C45H65N8O10+ 1 877.4818 -0.3
+PK$NUM_PEAK: 12
+PK$PEAK: m/z int. rel.int.
+  592.3136 745294.7 13
+  601.3337 1009772.5 18
+  634.2879 1078355.1 19
+  714.4184 1947374.8 35
+  720.4079 5002550 91
+  733.3559 1308905.4 24
+  746.3873 4008363 73
+  831.477 565127.5 10
+  846.4396 1077920.9 19
+  849.4863 2796843.8 51
+  859.4722 2776757.5 51
+  877.4816 54347044 999
+//
diff --git a/Eawag/MSBNK-MLU-ED070202.txt b/Eawag/MSBNK-MLU-ED070202.txt
new file mode 100644
index 0000000000..ece45f2a16
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED070202.txt
@@ -0,0 +1,160 @@
+ACCESSION: MSBNK-MLU-ED070202
+RECORD_TITLE: Brunsvicamide C; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Mueller [dtc], G. M. Koenig  [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 702
+CH$NAME: Brunsvicamide C
+CH$NAME: (((3S,6R,9S,12S,15S)-3-benzyl-6-(2-(2-formamidophenyl)-2-oxoethyl)-9-isobutyl-12-isopropyl-7-methyl-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentaazacyclononadecan-15-yl)carbamoyl)-D-isoleucine
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C45H64N8O10
+CH$EXACT_MASS: 876.4745402
+CH$SMILES: CC[C@H]([C@H](C(O)=O)NC(N[C@@H]1C(N[C@H](C(N[C@H](C(N([C@@H](C(N[C@H](C(NCCCC1)=O)CC2=CC=CC=C2)=O)CC(C3=C(NC([H])=O)C=CC=C3)=O)C)=O)CC(C)C)=O)C(C)C)=O)=O)C
+CH$IUPAC: InChI=1S/C45H64N8O10/c1-8-28(6)38(44(61)62)52-45(63)50-32-20-14-15-21-46-39(56)33(23-29-16-10-9-11-17-29)48-41(58)35(24-36(55)30-18-12-13-19-31(30)47-25-54)53(7)43(60)34(22-26(2)3)49-42(59)37(27(4)5)51-40(32)57/h9-13,16-19,25-28,32-35,37-38H,8,14-15,20-24H2,1-7H3,(H,46,56)(H,47,54)(H,48,58)(H,49,59)(H,51,57)(H,61,62)(H2,50,52,63)/t28-,32+,33+,34+,35-,37+,38-/m1/s1
+CH$LINK: PUBCHEM CID:146682035
+CH$LINK: INCHIKEY HQMATMGVGJKSPD-MMHNDARSSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 61-915
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.413 min
+MS$FOCUSED_ION: BASE_PEAK 877.4819
+MS$FOCUSED_ION: PRECURSOR_M/Z 877.4818
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 169176255.35
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0h0s-1013236960-5b6e6d47f822dff0ab71
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  84.0808 C5H10N+ 1 84.0808 0.02
+  145.1333 C7H17N2O+ 1 145.1335 -1.35
+  189.1017 C11H13N2O+ 2 189.1022 -2.9
+  202.0495 C11H8NO3+ 2 202.0499 -1.65
+  205.097 C11H13N2O2+ 1 205.0972 -0.62
+  213.1596 C11H21N2O2+ 1 213.1598 -0.69
+  231.1488 C14H19N2O+ 3 231.1492 -1.58
+  233.0913 C12H13N2O3+ 2 233.0921 -3.39
+  261.0867 C13H13N2O4+ 2 261.087 -1.05
+  318.1817 C3H26N8O9+ 4 318.1817 -0.01
+  320.1613 C2H24N8O10+ 4 320.161 0.89
+  334.1556 C6H22N8O8+ 4 334.1555 0.41
+  339.2397 C19H33NO4+ 3 339.2404 -1.97
+  344.14 C7H20N8O8+ 4 344.1399 0.47
+  346.1769 C4H26N8O10+ 4 346.1766 0.81
+  349.119 C6H19N7O10+ 3 349.1188 0.73
+  352.1667 C22H24O4+ 5 352.1669 -0.68
+  367.2348 C19H27N8+ 3 367.2353 -1.46
+  380.1615 C22H18N7+ 5 380.1618 -0.84
+  389.1826 C19H25N4O5+ 3 389.1819 1.61
+  398.2779 C19H36N5O4+ 3 398.2762 4.26
+  405.2497 C21H33N4O4+ 5 405.2496 0.06
+  433.2443 C22H33N4O5+ 5 433.2445 -0.52
+  445.2442 C23H33N4O5+ 5 445.2445 -0.7
+  456.261 C24H34N5O4+ 5 456.2605 0.97
+  463.2341 C26H31N4O4+ 5 463.234 0.21
+  470.2407 C26H34N2O6+ 5 470.2411 -1.01
+  474.2708 C24H36N5O5+ 5 474.2711 -0.66
+  493.2436 C27H33N4O5+ 6 493.2445 -1.9
+  502.266 C25H36N5O6+ 5 502.266 0.05
+  504.3198 C28H44N2O6+ 4 504.3194 0.85
+  514.3027 C27H40N5O5+ 5 514.3024 0.62
+  532.3132 C27H42N5O6+ 6 532.313 0.36
+  545.3445 C28H45N6O5+ 4 545.3446 -0.14
+  556.2525 C28H36N4O8+ 5 556.2528 -0.52
+  557.3449 C29H45N6O5+ 5 557.3446 0.52
+  588.2788 C30H36N8O5+ 6 588.2803 -2.66
+  592.3129 C32H42N5O6+ 6 592.313 -0.14
+  601.3341 C44H43NO+ 8 601.3339 0.34
+  606.292 C32H40N5O7+ 6 606.2922 -0.36
+  616.275 C31H36N8O6+ 7 616.2752 -0.4
+  633.3022 C33H41N6O7+ 6 633.3031 -1.44
+  634.2864 C35H42N2O9+ 5 634.2885 -3.27
+  637.3346 C33H45N6O7+ 6 637.3344 0.22
+  645.397 C33H53N6O7+ 7 645.397 -0.03
+  665.3293 C34H45N6O8+ 6 665.3293 -0.02
+  689.3656 C37H49N6O7+ 5 689.3657 -0.12
+  714.4189 C36H56N7O8+ 4 714.4185 0.62
+  718.3938 C40H54N4O8+ 5 718.3936 0.32
+  720.4078 C38H54N7O7+ 5 720.4079 -0.23
+  728.378 C39H50N7O7+ 5 728.3766 1.94
+  733.3556 C38H49N6O9+ 3 733.3556 0.12
+  746.3874 C39H52N7O8+ 4 746.3872 0.26
+  764.3978 C39H54N7O9+ 3 764.3978 0.09
+  831.4757 C44H63N8O8+ 1 831.4763 -0.73
+  846.4408 C44H60N7O10+ 1 846.4396 1.43
+  849.4865 C44H65N8O9+ 1 849.4869 -0.49
+  859.4707 C45H63N8O9+ 1 859.4713 -0.59
+  877.4815 C45H65N8O10+ 1 877.4818 -0.37
+PK$NUM_PEAK: 59
+PK$PEAK: m/z int. rel.int.
+  84.0808 3911694.5 345
+  145.1333 300104.5 26
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+  433.2443 833294.5 73
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+  470.2407 320378.1 28
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+  502.266 2297229.5 203
+  504.3198 223972.3 19
+  514.3027 886844.9 78
+  532.3132 1105979 97
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+  557.3449 608966.6 53
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+  606.292 538930.6 47
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+  633.3022 282363 24
+  634.2864 2193574 194
+  637.3346 1890259.2 167
+  645.397 765969.1 67
+  665.3293 2280580.8 201
+  689.3656 1656293.5 146
+  714.4189 1570076.2 138
+  718.3938 941905.4 83
+  720.4078 4724197 417
+  728.378 416097.7 36
+  733.3556 2542212.2 224
+  746.3874 4727651 418
+  764.3978 7302688 645
+  831.4757 514012.7 45
+  846.4408 746641.8 66
+  849.4865 2474796.8 218
+  859.4707 1060291.8 93
+  877.4815 11295659 999
+//
diff --git a/Eawag/MSBNK-MLU-ED070203.txt b/Eawag/MSBNK-MLU-ED070203.txt
new file mode 100644
index 0000000000..c429859c36
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED070203.txt
@@ -0,0 +1,204 @@
+ACCESSION: MSBNK-MLU-ED070203
+RECORD_TITLE: Brunsvicamide C; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Mueller [dtc], G. M. Koenig  [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 702
+CH$NAME: Brunsvicamide C
+CH$NAME: (((3S,6R,9S,12S,15S)-3-benzyl-6-(2-(2-formamidophenyl)-2-oxoethyl)-9-isobutyl-12-isopropyl-7-methyl-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentaazacyclononadecan-15-yl)carbamoyl)-D-isoleucine
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C45H64N8O10
+CH$EXACT_MASS: 876.4745402
+CH$SMILES: CC[C@H]([C@H](C(O)=O)NC(N[C@@H]1C(N[C@H](C(N[C@H](C(N([C@@H](C(N[C@H](C(NCCCC1)=O)CC2=CC=CC=C2)=O)CC(C3=C(NC([H])=O)C=CC=C3)=O)C)=O)CC(C)C)=O)C(C)C)=O)=O)C
+CH$IUPAC: InChI=1S/C45H64N8O10/c1-8-28(6)38(44(61)62)52-45(63)50-32-20-14-15-21-46-39(56)33(23-29-16-10-9-11-17-29)48-41(58)35(24-36(55)30-18-12-13-19-31(30)47-25-54)53(7)43(60)34(22-26(2)3)49-42(59)37(27(4)5)51-40(32)57/h9-13,16-19,25-28,32-35,37-38H,8,14-15,20-24H2,1-7H3,(H,46,56)(H,47,54)(H,48,58)(H,49,59)(H,51,57)(H,61,62)(H2,50,52,63)/t28-,32+,33+,34+,35-,37+,38-/m1/s1
+CH$LINK: PUBCHEM CID:146682035
+CH$LINK: INCHIKEY HQMATMGVGJKSPD-MMHNDARSSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 61-915
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.413 min
+MS$FOCUSED_ION: BASE_PEAK 877.4819
+MS$FOCUSED_ION: PRECURSOR_M/Z 877.4818
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 169176255.35
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0f89-6279755200-4ba3e78bc9013803df47
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  72.0805 C4H10N+ 1 72.0808 -4.13
+  84.0808 C5H10N+ 1 84.0808 0.02
+  86.0962 C5H12N+ 1 86.0964 -2.8
+  129.102 C6H13N2O+ 1 129.1022 -1.94
+  145.1334 C7H17N2O+ 1 145.1335 -0.72
+  146.0601 C9H8NO+ 1 146.06 0.73
+  148.038 C6H4N4O+ 1 148.038 0.07
+  173.092 C7H13N2O3+ 1 173.0921 -0.36
+  174.0546 C10H8NO2+ 1 174.055 -2.09
+  177.1018 C10H13N2O+ 1 177.1022 -2.34
+  185.1646 C10H21N2O+ 1 185.1648 -1.56
+  189.1016 C11H13N2O+ 2 189.1022 -3.14
+  202.0496 C11H8NO3+ 1 202.0499 -1.12
+  205.097 C11H13N2O2+ 1 205.0972 -0.55
+  213.1595 C11H21N2O2+ 1 213.1598 -1.05
+  217.0969 C12H13N2O2+ 1 217.0972 -1.06
+  225.1231 C11H17N2O3+ 2 225.1234 -1.02
+  226.1548 C11H20N3O2+ 2 226.155 -0.98
+  231.1488 C14H19N2O+ 3 231.1492 -1.71
+  233.0917 C12H13N2O3+ 2 233.0921 -1.75
+  244.2014 C12H26N3O2+ 2 244.202 -2.12
+  251.1026 C12H15N2O4+ 1 251.1026 -0.25
+  254.1498 C12H20N3O3+ 2 254.1499 -0.65
+  258.181 C12H24N3O3+ 2 258.1812 -0.71
+  261.0868 C13H13N2O4+ 2 261.087 -0.82
+  261.1597 C15H21N2O2+ 3 261.1598 -0.18
+  272.1604 C12H22N3O4+ 2 272.1605 -0.13
+  300.1711 C3H24N8O8+ 4 300.1712 -0.2
+  318.1821 C3H26N8O9+ 4 318.1817 1.14
+  320.1611 C2H24N8O10+ 4 320.161 0.22
+  321.124 C5H19N7O9+ 3 321.1239 0.27
+  339.24 C19H33NO4+ 3 339.2404 -1.16
+  344.1402 C7H20N8O8+ 4 344.1399 1
+  346.1769 C4H26N8O10+ 4 346.1766 0.81
+  352.1667 C22H24O4+ 5 352.1669 -0.6
+  367.2353 C19H27N8+ 4 367.2353 -0.13
+  373.2244 C22H31NO4+ 4 373.2248 -0.88
+  375.2401 C22H33NO4+ 4 375.2404 -0.73
+  380.1614 C22H18N7+ 5 380.1618 -1.08
+  389.1826 C19H25N4O5+ 3 389.1819 1.61
+  398.2748 C19H36N5O4+ 4 398.2762 -3.48
+  401.2187 C21H29N4O4+ 5 401.2183 0.95
+  405.2498 C21H33N4O4+ 5 405.2496 0.44
+  411.2022 C22H27N4O4+ 5 411.2027 -1.18
+  415.2338 C22H31N4O4+ 5 415.234 -0.56
+  419.2283 C21H31N4O5+ 6 419.2289 -1.44
+  433.2448 C22H33N4O5+ 5 433.2445 0.61
+  442.2447 C23H32N5O4+ 4 442.2449 -0.48
+  443.2305 C23H31N4O5+ 4 443.2289 3.56
+  445.245 C23H33N4O5+ 5 445.2445 0.95
+  456.2609 C24H34N5O4+ 4 456.2605 0.83
+  463.2341 C26H31N4O4+ 5 463.234 0.21
+  470.2406 C26H34N2O6+ 5 470.2411 -1.14
+  471.2235 C25H27N8O2+ 5 471.2251 -3.41
+  474.2704 C24H36N5O5+ 5 474.2711 -1.37
+  486.3074 C26H40N5O4+ 4 486.3075 -0.26
+  493.2447 C27H33N4O5+ 5 493.2445 0.32
+  502.2661 C25H36N5O6+ 5 502.266 0.17
+  504.3193 C28H44N2O6+ 3 504.3194 -0.17
+  514.3025 C27H40N5O5+ 4 514.3024 0.14
+  521.2014 C27H29N4O7+ 5 521.2031 -3.29
+  532.3131 C27H42N5O6+ 6 532.313 0.25
+  545.3448 C28H45N6O5+ 5 545.3446 0.3
+  552.2448 C42H32O+ 6 552.2448 0.03
+  555.3293 C29H43N6O5+ 5 555.3289 0.57
+  557.3445 C29H45N6O5+ 6 557.3446 -0.14
+  592.3134 C32H42N5O6+ 5 592.313 0.68
+  601.3341 C44H43NO+ 6 601.3339 0.24
+  602.2614 C32H36N5O7+ 5 602.2609 0.73
+  606.2917 C32H40N5O7+ 5 606.2922 -0.86
+  616.2759 C31H36N8O6+ 5 616.2752 1.08
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+  634.2871 C35H42N2O9+ 6 634.2885 -2.21
+  637.3347 C33H45N6O7+ 6 637.3344 0.41
+  665.33 C34H45N6O8+ 4 665.3293 0.99
+  689.3664 C37H49N6O7+ 6 689.3657 0.95
+  700.3772 C37H54N3O10+ 4 700.3804 -4.47
+  718.3935 C40H54N4O8+ 5 718.3936 -0.11
+  720.4079 C38H54N7O7+ 5 720.4079 -0.06
+  728.3743 C39H50N7O7+ 2 728.3766 -3.17
+  764.3983 C39H54N7O9+ 4 764.3978 0.73
+PK$NUM_PEAK: 81
+PK$PEAK: m/z int. rel.int.
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+  486.3074 1469711.6 112
+  493.2447 739017.2 56
+  502.2661 3310224.2 253
+  504.3193 409919 31
+  514.3025 989078.5 75
+  521.2014 153218 11
+  532.3131 1184305.9 90
+  545.3448 634547.2 48
+  552.2448 2405767.8 184
+  555.3293 1151872.4 88
+  557.3445 624335.8 47
+  592.3134 660727 50
+  601.3341 5068433 388
+  602.2614 177587.9 13
+  606.2917 720799.8 55
+  616.2759 227646.8 17
+  633.3032 308264.2 23
+  634.2871 1588793.9 121
+  637.3347 1422402.4 109
+  665.33 1161148.9 88
+  689.3664 1294745.4 99
+  700.3772 151432.9 11
+  718.3935 1121224.6 85
+  720.4079 1049047.2 80
+  728.3743 316209.2 24
+  764.3983 2319069.8 177
+//
diff --git a/Eawag/MSBNK-MLU-ED070204.txt b/Eawag/MSBNK-MLU-ED070204.txt
new file mode 100644
index 0000000000..e55dbd3a12
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED070204.txt
@@ -0,0 +1,172 @@
+ACCESSION: MSBNK-MLU-ED070204
+RECORD_TITLE: Brunsvicamide C; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Mueller [dtc], G. M. Koenig  [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 702
+CH$NAME: Brunsvicamide C
+CH$NAME: (((3S,6R,9S,12S,15S)-3-benzyl-6-(2-(2-formamidophenyl)-2-oxoethyl)-9-isobutyl-12-isopropyl-7-methyl-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentaazacyclononadecan-15-yl)carbamoyl)-D-isoleucine
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C45H64N8O10
+CH$EXACT_MASS: 876.4745402
+CH$SMILES: CC[C@H]([C@H](C(O)=O)NC(N[C@@H]1C(N[C@H](C(N[C@H](C(N([C@@H](C(N[C@H](C(NCCCC1)=O)CC2=CC=CC=C2)=O)CC(C3=C(NC([H])=O)C=CC=C3)=O)C)=O)CC(C)C)=O)C(C)C)=O)=O)C
+CH$IUPAC: InChI=1S/C45H64N8O10/c1-8-28(6)38(44(61)62)52-45(63)50-32-20-14-15-21-46-39(56)33(23-29-16-10-9-11-17-29)48-41(58)35(24-36(55)30-18-12-13-19-31(30)47-25-54)53(7)43(60)34(22-26(2)3)49-42(59)37(27(4)5)51-40(32)57/h9-13,16-19,25-28,32-35,37-38H,8,14-15,20-24H2,1-7H3,(H,46,56)(H,47,54)(H,48,58)(H,49,59)(H,51,57)(H,61,62)(H2,50,52,63)/t28-,32+,33+,34+,35-,37+,38-/m1/s1
+CH$LINK: PUBCHEM CID:146682035
+CH$LINK: INCHIKEY HQMATMGVGJKSPD-MMHNDARSSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 61-915
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.413 min
+MS$FOCUSED_ION: BASE_PEAK 877.4819
+MS$FOCUSED_ION: PRECURSOR_M/Z 877.4818
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 169176255.35
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-001i-9676410000-619d1d89d32e25b4632f
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  72.0808 C4H10N+ 1 72.0808 -0.22
+  84.0808 C5H10N+ 1 84.0808 0.29
+  86.0963 C5H12N+ 1 86.0964 -1.47
+  120.0807 C8H10N+ 1 120.0808 -1.04
+  129.1022 C6H13N2O+ 1 129.1022 -0.05
+  134.0965 C9H12N+ 1 134.0964 0.87
+  145.1336 C7H17N2O+ 1 145.1335 0.33
+  146.0596 C9H8NO+ 1 146.06 -2.93
+  148.0386 C8H6NO2+ 2 148.0393 -4.57
+  153.1019 C8H13N2O+ 1 153.1022 -2.01
+  173.0921 C7H13N2O3+ 1 173.0921 0.43
+  174.0548 C10H8NO2+ 1 174.055 -0.87
+  177.1023 C10H13N2O+ 1 177.1022 0.42
+  185.1647 C10H21N2O+ 1 185.1648 -0.66
+  189.102 C11H13N2O+ 1 189.1022 -1.28
+  202.0497 C11H8NO3+ 1 202.0499 -0.9
+  205.097 C11H13N2O2+ 1 205.0972 -0.99
+  213.1595 C11H21N2O2+ 1 213.1598 -1.12
+  217.097 C12H13N2O2+ 1 217.0972 -0.63
+  225.1232 C11H17N2O3+ 1 225.1234 -0.82
+  226.1547 C11H20N3O2+ 2 226.155 -1.52
+  231.1488 C14H19N2O+ 3 231.1492 -1.84
+  233.092 C12H13N2O3+ 1 233.0921 -0.38
+  233.1647 C14H21N2O+ 2 233.1648 -0.45
+  244.2025 C12H26N3O2+ 2 244.202 2.19
+  254.1493 C12H20N3O3+ 2 254.1499 -2.33
+  258.1814 C12H24N3O3+ 2 258.1812 0.7
+  261.0869 C13H13N2O4+ 2 261.087 -0.46
+  261.16 C15H21N2O2+ 2 261.1598 0.88
+  272.1609 C12H22N3O4+ 3 272.1605 1.66
+  300.1711 C3H24N8O8+ 4 300.1712 -0.31
+  320.1612 C2H24N8O10+ 4 320.161 0.6
+  321.1241 C5H19N7O9+ 3 321.1239 0.56
+  334.1556 C6H22N8O8+ 4 334.1555 0.32
+  339.24 C19H33NO4+ 3 339.2404 -1.25
+  349.1191 C6H19N7O10+ 3 349.1188 0.81
+  352.1665 C6H24N8O9+ 4 352.1661 1.17
+  373.225 C22H31NO4+ 4 373.2248 0.51
+  375.2411 C22H33NO4+ 3 375.2404 1.71
+  380.1615 C22H18N7+ 5 380.1618 -0.92
+  389.1824 C19H25N4O5+ 5 389.1819 1.21
+  401.2177 C21H29N4O4+ 5 401.2183 -1.56
+  405.25 C21H33N4O4+ 5 405.2496 0.82
+  411.2028 C22H27N4O4+ 5 411.2027 0.31
+  419.2284 C21H31N4O5+ 5 419.2289 -1.15
+  425.2179 C23H29N4O4+ 5 425.2183 -1.11
+  433.2449 C22H33N4O5+ 5 433.2445 0.89
+  442.2448 C23H32N5O4+ 4 442.2449 -0.21
+  443.2277 C23H31N4O5+ 4 443.2289 -2.7
+  445.2452 C23H33N4O5+ 6 445.2445 1.49
+  456.26 C24H34N5O4+ 5 456.2605 -1.17
+  470.241 C26H34N2O6+ 3 470.2411 -0.23
+  471.2231 C25H27N8O2+ 6 471.2251 -4.25
+  474.2711 C24H36N5O5+ 4 474.2711 0.11
+  486.3072 C26H40N5O4+ 5 486.3075 -0.58
+  502.2664 C25H36N5O6+ 6 502.266 0.84
+  514.3022 C27H40N5O5+ 5 514.3024 -0.45
+  521.2034 C27H29N4O7+ 6 521.2031 0.69
+  524.2856 C27H42NO9+ 5 524.2854 0.44
+  552.2447 C42H32O+ 6 552.2448 -0.19
+  555.3287 C29H43N6O5+ 4 555.3289 -0.42
+  557.3452 C29H45N6O5+ 5 557.3446 1.07
+  588.2785 C30H36N8O5+ 6 588.2803 -3.07
+  634.2914 C35H42N2O9+ 6 634.2885 4.52
+  637.3337 C33H45N6O7+ 5 637.3344 -1.12
+PK$NUM_PEAK: 65
+PK$PEAK: m/z int. rel.int.
+  72.0808 597275.3 29
+  84.0808 19952878 999
+  86.0963 1540244.6 77
+  120.0807 1419005.6 71
+  129.1022 1027015.5 51
+  134.0965 230776.3 11
+  145.1336 1538984.5 77
+  146.0596 559702.9 28
+  148.0386 508151.9 25
+  153.1019 373677.8 18
+  173.0921 716671.8 35
+  174.0548 3023909.5 151
+  177.1023 440007.2 22
+  185.1647 1683534.6 84
+  189.102 4647348 232
+  202.0497 6429098 321
+  205.097 1672975.8 83
+  213.1595 1668210 83
+  217.097 551740.3 27
+  225.1232 220629.4 11
+  226.1547 743950.7 37
+  231.1488 3817723.8 191
+  233.092 972827.8 48
+  233.1647 225672.6 11
+  244.2025 359874.4 18
+  254.1493 256592.8 12
+  258.1814 348465.4 17
+  261.0869 1623384.5 81
+  261.16 405635.3 20
+  272.1609 305941.6 15
+  300.1711 1333522.4 66
+  320.1612 1975336 98
+  321.1241 835083.4 41
+  334.1556 569214.9 28
+  339.24 1136801.5 56
+  349.1191 520820.1 26
+  352.1665 2380199.5 119
+  373.225 709951.8 35
+  375.2411 224776 11
+  380.1615 4325842 216
+  389.1824 2208377.5 110
+  401.2177 273810.4 13
+  405.25 1392409.5 69
+  411.2028 2193976.8 109
+  419.2284 239041 11
+  425.2179 685510.4 34
+  433.2449 816557.4 40
+  442.2448 846369 42
+  443.2277 787155.8 39
+  445.2452 954663.9 47
+  456.26 299701.7 15
+  470.241 290009.9 14
+  471.2231 557790.1 27
+  474.2711 941754.9 47
+  486.3072 1955201.9 97
+  502.2664 1402276.1 70
+  514.3022 314213.6 15
+  521.2034 226708.9 11
+  524.2856 475804 23
+  552.2447 1467576.6 73
+  555.3287 271552.9 13
+  557.3452 219406.4 10
+  588.2785 251366 12
+  634.2914 270379.6 13
+  637.3337 477241 23
+//
diff --git a/Eawag/MSBNK-MLU-ED070205.txt b/Eawag/MSBNK-MLU-ED070205.txt
new file mode 100644
index 0000000000..59f93209c4
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED070205.txt
@@ -0,0 +1,136 @@
+ACCESSION: MSBNK-MLU-ED070205
+RECORD_TITLE: Brunsvicamide C; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Mueller [dtc], G. M. Koenig  [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 702
+CH$NAME: Brunsvicamide C
+CH$NAME: (((3S,6R,9S,12S,15S)-3-benzyl-6-(2-(2-formamidophenyl)-2-oxoethyl)-9-isobutyl-12-isopropyl-7-methyl-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentaazacyclononadecan-15-yl)carbamoyl)-D-isoleucine
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C45H64N8O10
+CH$EXACT_MASS: 876.4745402
+CH$SMILES: CC[C@H]([C@H](C(O)=O)NC(N[C@@H]1C(N[C@H](C(N[C@H](C(N([C@@H](C(N[C@H](C(NCCCC1)=O)CC2=CC=CC=C2)=O)CC(C3=C(NC([H])=O)C=CC=C3)=O)C)=O)CC(C)C)=O)C(C)C)=O)=O)C
+CH$IUPAC: InChI=1S/C45H64N8O10/c1-8-28(6)38(44(61)62)52-45(63)50-32-20-14-15-21-46-39(56)33(23-29-16-10-9-11-17-29)48-41(58)35(24-36(55)30-18-12-13-19-31(30)47-25-54)53(7)43(60)34(22-26(2)3)49-42(59)37(27(4)5)51-40(32)57/h9-13,16-19,25-28,32-35,37-38H,8,14-15,20-24H2,1-7H3,(H,46,56)(H,47,54)(H,48,58)(H,49,59)(H,51,57)(H,61,62)(H2,50,52,63)/t28-,32+,33+,34+,35-,37+,38-/m1/s1
+CH$LINK: PUBCHEM CID:146682035
+CH$LINK: INCHIKEY HQMATMGVGJKSPD-MMHNDARSSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 61-915
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.413 min
+MS$FOCUSED_ION: BASE_PEAK 877.4819
+MS$FOCUSED_ION: PRECURSOR_M/Z 877.4818
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 169176255.35
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-001i-7931000000-8f725c201bea67026ec4
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  72.0808 C4H10N+ 1 72.0808 0.74
+  84.0808 C5H10N+ 1 84.0808 0.38
+  86.0964 C5H12N+ 1 86.0964 -0.05
+  91.0539 C7H7+ 1 91.0542 -4.1
+  120.0444 C7H6NO+ 1 120.0444 0.17
+  120.0807 C8H10N+ 1 120.0808 -0.53
+  129.1022 C6H13N2O+ 1 129.1022 -0.05
+  134.0963 C9H12N+ 1 134.0964 -0.95
+  140.1432 C9H18N+ 1 140.1434 -0.96
+  145.1335 C7H17N2O+ 1 145.1335 0.02
+  146.06 C9H8NO+ 1 146.06 -0.11
+  148.0391 C8H6NO2+ 1 148.0393 -1.37
+  153.1021 C8H13N2O+ 1 153.1022 -1.11
+  155.0811 C7H11N2O2+ 1 155.0815 -2.55
+  155.1173 C8H15N2O+ 2 155.1179 -4.08
+  156.0443 C10H6NO+ 1 156.0444 -0.43
+  161.1073 C10H13N2+ 1 161.1073 -0.14
+  173.092 C7H13N2O3+ 1 173.0921 -0.45
+  174.0548 C10H8NO2+ 1 174.055 -0.69
+  174.1274 C12H16N+ 1 174.1277 -1.84
+  177.1019 C10H13N2O+ 1 177.1022 -1.91
+  183.1489 C10H19N2O+ 1 183.1492 -1.5
+  185.1647 C10H21N2O+ 1 185.1648 -0.74
+  188.1434 C13H18N+ 1 188.1434 0.11
+  189.1021 C11H13N2O+ 1 189.1022 -0.96
+  202.0497 C11H8NO3+ 1 202.0499 -0.9
+  205.0971 C11H13N2O2+ 1 205.0972 -0.02
+  209.1281 C11H17N2O2+ 2 209.1285 -1.71
+  213.1598 C11H21N2O2+ 1 213.1598 0.17
+  217.0968 C12H13N2O2+ 2 217.0972 -1.48
+  226.1546 C11H20N3O2+ 2 226.155 -1.99
+  231.1488 C14H19N2O+ 3 231.1492 -1.71
+  233.0913 C12H13N2O3+ 2 233.0921 -3.45
+  233.1645 C14H21N2O+ 3 233.1648 -1.43
+  254.1497 C12H20N3O3+ 2 254.1499 -0.83
+  261.0866 C13H13N2O4+ 2 261.087 -1.28
+  272.1603 C12H22N3O4+ 2 272.1605 -0.81
+  275.1172 C18H15N2O+ 3 275.1179 -2.67
+  320.161 C2H24N8O10+ 4 320.161 0.03
+  321.1236 C5H19N7O9+ 4 321.1239 -0.77
+  339.24 C19H33NO4+ 3 339.2404 -1.07
+  352.1661 C6H24N8O9+ 4 352.1661 0.13
+  373.2247 C22H31NO4+ 4 373.2248 -0.06
+  389.1821 C19H25N4O5+ 5 389.1819 0.27
+  411.203 C22H27N4O4+ 5 411.2027 0.75
+  425.218 C23H29N4O4+ 5 425.2183 -0.75
+  486.307 C26H40N5O4+ 5 486.3075 -1.08
+PK$NUM_PEAK: 47
+PK$PEAK: m/z int. rel.int.
+  72.0808 2311660.8 56
+  84.0808 41138668 999
+  86.0964 6070314 147
+  91.0539 732721.6 17
+  120.0444 1308501.4 31
+  120.0807 6682060 162
+  129.1022 3717762 90
+  134.0963 492365.8 11
+  140.1432 639138.1 15
+  145.1335 1795841.1 43
+  146.06 3055643.5 74
+  148.0391 1657928.2 40
+  153.1021 1614174.8 39
+  155.0811 500582.3 12
+  155.1173 466294.8 11
+  156.0443 1074844.9 26
+  161.1073 505621.5 12
+  173.092 3255820 79
+  174.0548 9612120 233
+  174.1274 527989.8 12
+  177.1019 1435436.8 34
+  183.1489 609896.1 14
+  185.1647 2876474.5 69
+  188.1434 1053836.5 25
+  189.1021 14460149 351
+  202.0497 9608177 233
+  205.0971 1347937.6 32
+  209.1281 563954 13
+  213.1598 968564 23
+  217.0968 1284879.9 31
+  226.1546 3064624.8 74
+  231.1488 3324808.8 80
+  233.0913 599162.6 14
+  233.1645 458638.2 11
+  254.1497 563796.4 13
+  261.0866 520993.1 12
+  272.1603 563372.6 13
+  275.1172 1043449.6 25
+  320.161 3520099.5 85
+  321.1236 797371.4 19
+  339.24 2016217.5 48
+  352.1661 1189002.1 28
+  373.2247 1313140.2 31
+  389.1821 1269338.1 30
+  411.203 1873873 45
+  425.218 593401.8 14
+  486.307 665771.8 16
+//
diff --git a/Eawag/MSBNK-MLU-ED070206.txt b/Eawag/MSBNK-MLU-ED070206.txt
new file mode 100644
index 0000000000..2ccc67d804
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED070206.txt
@@ -0,0 +1,112 @@
+ACCESSION: MSBNK-MLU-ED070206
+RECORD_TITLE: Brunsvicamide C; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Mueller [dtc], G. M. Koenig  [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 702
+CH$NAME: Brunsvicamide C
+CH$NAME: (((3S,6R,9S,12S,15S)-3-benzyl-6-(2-(2-formamidophenyl)-2-oxoethyl)-9-isobutyl-12-isopropyl-7-methyl-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentaazacyclononadecan-15-yl)carbamoyl)-D-isoleucine
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C45H64N8O10
+CH$EXACT_MASS: 876.4745402
+CH$SMILES: CC[C@H]([C@H](C(O)=O)NC(N[C@@H]1C(N[C@H](C(N[C@H](C(N([C@@H](C(N[C@H](C(NCCCC1)=O)CC2=CC=CC=C2)=O)CC(C3=C(NC([H])=O)C=CC=C3)=O)C)=O)CC(C)C)=O)C(C)C)=O)=O)C
+CH$IUPAC: InChI=1S/C45H64N8O10/c1-8-28(6)38(44(61)62)52-45(63)50-32-20-14-15-21-46-39(56)33(23-29-16-10-9-11-17-29)48-41(58)35(24-36(55)30-18-12-13-19-31(30)47-25-54)53(7)43(60)34(22-26(2)3)49-42(59)37(27(4)5)51-40(32)57/h9-13,16-19,25-28,32-35,37-38H,8,14-15,20-24H2,1-7H3,(H,46,56)(H,47,54)(H,48,58)(H,49,59)(H,51,57)(H,61,62)(H2,50,52,63)/t28-,32+,33+,34+,35-,37+,38-/m1/s1
+CH$LINK: PUBCHEM CID:146682035
+CH$LINK: INCHIKEY HQMATMGVGJKSPD-MMHNDARSSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 61-915
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.413 min
+MS$FOCUSED_ION: BASE_PEAK 877.4819
+MS$FOCUSED_ION: PRECURSOR_M/Z 877.4818
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 169176255.35
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-001i-7910000000-a1a001f76f636c4ca141
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  72.0808 C4H10N+ 1 72.0808 0.95
+  84.0808 C5H10N+ 1 84.0808 0.56
+  86.0965 C5H12N+ 1 86.0964 0.3
+  91.0542 C7H7+ 1 91.0542 -0.75
+  120.0444 C7H6NO+ 1 120.0444 0.05
+  120.0808 C8H10N+ 1 120.0808 -0.15
+  127.0863 C6H11N2O+ 1 127.0866 -2.65
+  129.1022 C6H13N2O+ 1 129.1022 -0.17
+  130.065 C9H8N+ 1 130.0651 -0.8
+  132.0442 C8H6NO+ 1 132.0444 -1.1
+  134.0964 C9H12N+ 1 134.0964 -0.5
+  140.1432 C9H18N+ 1 140.1434 -1.18
+  145.1338 C7H17N2O+ 1 145.1335 2.12
+  146.06 C9H8NO+ 1 146.06 -0.21
+  148.0392 C8H6NO2+ 1 148.0393 -0.85
+  153.1021 C8H13N2O+ 1 153.1022 -1.01
+  155.0814 C7H11N2O2+ 1 155.0815 -0.97
+  155.1176 C8H15N2O+ 1 155.1179 -1.71
+  156.0442 C10H6NO+ 1 156.0444 -1.21
+  161.1073 C10H13N2+ 1 161.1073 -0.42
+  173.092 C7H13N2O3+ 1 173.0921 -0.27
+  174.0549 C10H8NO2+ 1 174.055 -0.52
+  174.1278 C12H16N+ 1 174.1277 0.44
+  177.1021 C10H13N2O+ 1 177.1022 -0.96
+  183.1494 C10H19N2O+ 1 183.1492 1.08
+  184.0392 C11H6NO2+ 1 184.0393 -0.48
+  185.165 C10H21N2O+ 1 185.1648 0.66
+  188.1434 C13H18N+ 1 188.1434 0.02
+  189.1021 C11H13N2O+ 1 189.1022 -0.8
+  202.0497 C11H8NO3+ 1 202.0499 -0.82
+  209.1285 C11H17N2O2+ 1 209.1285 0.04
+  226.1546 C11H20N3O2+ 2 226.155 -1.99
+  231.1489 C14H19N2O+ 3 231.1492 -1.44
+  275.1169 C18H15N2O+ 3 275.1179 -3.56
+  320.161 C2H24N8O10+ 4 320.161 0.03
+PK$NUM_PEAK: 35
+PK$PEAK: m/z int. rel.int.
+  72.0808 2760002.8 85
+  84.0808 32156164 999
+  86.0965 5706255.5 177
+  91.0542 2969353.2 92
+  120.0444 2341570.2 72
+  120.0808 8906554 276
+  127.0863 345290.5 10
+  129.1022 3436309.2 106
+  130.065 525530.5 16
+  132.0442 463244.5 14
+  134.0964 376901.7 11
+  140.1432 473550.4 14
+  145.1338 582399.9 18
+  146.06 4327108 134
+  148.0392 1850449.8 57
+  153.1021 1875716.1 58
+  155.0814 744863.6 23
+  155.1176 461973.9 14
+  156.0442 1505082.6 46
+  161.1073 820793.2 25
+  173.092 2007947.6 62
+  174.0549 6828827 212
+  174.1278 758952.6 23
+  177.1021 759032.9 23
+  183.1494 463641.5 14
+  184.0392 603924.8 18
+  185.165 697214.1 21
+  188.1434 1267487.1 39
+  189.1021 9106222 282
+  202.0497 4299401.5 133
+  209.1285 825717.9 25
+  226.1546 2153870.2 66
+  231.1489 671506.1 20
+  275.1169 604989.7 18
+  320.161 984068.7 30
+//
diff --git a/Eawag/MSBNK-MLU-ED070207.txt b/Eawag/MSBNK-MLU-ED070207.txt
new file mode 100644
index 0000000000..e5f91182f6
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED070207.txt
@@ -0,0 +1,106 @@
+ACCESSION: MSBNK-MLU-ED070207
+RECORD_TITLE: Brunsvicamide C; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Mueller [dtc], G. M. Koenig  [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 702
+CH$NAME: Brunsvicamide C
+CH$NAME: (((3S,6R,9S,12S,15S)-3-benzyl-6-(2-(2-formamidophenyl)-2-oxoethyl)-9-isobutyl-12-isopropyl-7-methyl-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentaazacyclononadecan-15-yl)carbamoyl)-D-isoleucine
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C45H64N8O10
+CH$EXACT_MASS: 876.4745402
+CH$SMILES: CC[C@H]([C@H](C(O)=O)NC(N[C@@H]1C(N[C@H](C(N[C@H](C(N([C@@H](C(N[C@H](C(NCCCC1)=O)CC2=CC=CC=C2)=O)CC(C3=C(NC([H])=O)C=CC=C3)=O)C)=O)CC(C)C)=O)C(C)C)=O)=O)C
+CH$IUPAC: InChI=1S/C45H64N8O10/c1-8-28(6)38(44(61)62)52-45(63)50-32-20-14-15-21-46-39(56)33(23-29-16-10-9-11-17-29)48-41(58)35(24-36(55)30-18-12-13-19-31(30)47-25-54)53(7)43(60)34(22-26(2)3)49-42(59)37(27(4)5)51-40(32)57/h9-13,16-19,25-28,32-35,37-38H,8,14-15,20-24H2,1-7H3,(H,46,56)(H,47,54)(H,48,58)(H,49,59)(H,51,57)(H,61,62)(H2,50,52,63)/t28-,32+,33+,34+,35-,37+,38-/m1/s1
+CH$LINK: PUBCHEM CID:146682035
+CH$LINK: INCHIKEY HQMATMGVGJKSPD-MMHNDARSSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 61-915
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.413 min
+MS$FOCUSED_ION: BASE_PEAK 877.4819
+MS$FOCUSED_ION: PRECURSOR_M/Z 877.4818
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 169176255.35
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0089-8900000000-37c7265ff8ca1a131226
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  69.07 C5H9+ 1 69.0699 2.17
+  72.0809 C4H10N+ 1 72.0808 1.16
+  82.0651 C5H8N+ 1 82.0651 0.17
+  84.0808 C5H10N+ 1 84.0808 0.47
+  86.0964 C5H12N+ 1 86.0964 0.04
+  91.0542 C7H7+ 1 91.0542 -0.16
+  103.0542 C8H7+ 1 103.0542 0.15
+  105.0699 C8H9+ 1 105.0699 -0.12
+  110.0602 C6H8NO+ 1 110.06 1.17
+  120.0445 C7H6NO+ 1 120.0444 0.56
+  120.0808 C8H10N+ 1 120.0808 -0.02
+  127.0865 C6H11N2O+ 1 127.0866 -0.43
+  129.1022 C6H13N2O+ 1 129.1022 -0.17
+  130.0288 C8H4NO+ 1 130.0287 0.67
+  130.0651 C9H8N+ 1 130.0651 -0.1
+  132.0444 C8H6NO+ 1 132.0444 -0.06
+  134.0965 C9H12N+ 1 134.0964 0.53
+  146.06 C9H8NO+ 1 146.06 -0.32
+  148.0392 C8H6NO2+ 1 148.0393 -0.96
+  153.1022 C8H13N2O+ 1 153.1022 -0.41
+  155.0813 C7H11N2O2+ 1 155.0815 -1.17
+  156.0443 C10H6NO+ 1 156.0444 -0.72
+  161.1072 C10H13N2+ 1 161.1073 -1.08
+  173.092 C7H13N2O3+ 1 173.0921 -0.27
+  174.0549 C10H8NO2+ 1 174.055 -0.52
+  174.1275 C12H16N+ 1 174.1277 -1.49
+  184.0392 C11H6NO2+ 1 184.0393 -0.48
+  188.1434 C13H18N+ 1 188.1434 -0.06
+  189.1021 C11H13N2O+ 1 189.1022 -0.96
+  202.0497 C11H8NO3+ 1 202.0499 -0.67
+  209.1281 C11H17N2O2+ 2 209.1285 -1.49
+  226.1547 C11H20N3O2+ 2 226.155 -1.52
+PK$NUM_PEAK: 32
+PK$PEAK: m/z int. rel.int.
+  69.07 605344.8 11
+  72.0809 4774128.5 90
+  82.0651 864785.1 16
+  84.0808 52846512 999
+  86.0964 9244380 174
+  91.0542 9423656 178
+  103.0542 830200.1 15
+  105.0699 1047608.8 19
+  110.0602 639186.1 12
+  120.0445 6226029 117
+  120.0808 18318688 346
+  127.0865 664823.4 12
+  129.1022 4398766.5 83
+  130.0288 581687.6 10
+  130.0651 1272477.2 24
+  132.0444 1515028.6 28
+  134.0965 635809.9 12
+  146.06 10655882 201
+  148.0392 3406564.5 64
+  153.1022 2897838.8 54
+  155.0813 1492486.9 28
+  156.0443 2713635.8 51
+  161.1072 1739721.2 32
+  173.092 1299488.4 24
+  174.0549 7956752 150
+  174.1275 993868.9 18
+  184.0392 1053049.4 19
+  188.1434 1631871.1 30
+  189.1021 6805872 128
+  202.0497 2764602.2 52
+  209.1281 1025927.4 19
+  226.1547 2089943.9 39
+//
diff --git a/Eawag/MSBNK-MLU-ED070208.txt b/Eawag/MSBNK-MLU-ED070208.txt
new file mode 100644
index 0000000000..beb954d931
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED070208.txt
@@ -0,0 +1,110 @@
+ACCESSION: MSBNK-MLU-ED070208
+RECORD_TITLE: Brunsvicamide C; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Mueller [dtc], G. M. Koenig  [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 702
+CH$NAME: Brunsvicamide C
+CH$NAME: (((3S,6R,9S,12S,15S)-3-benzyl-6-(2-(2-formamidophenyl)-2-oxoethyl)-9-isobutyl-12-isopropyl-7-methyl-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentaazacyclononadecan-15-yl)carbamoyl)-D-isoleucine
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C45H64N8O10
+CH$EXACT_MASS: 876.4745402
+CH$SMILES: CC[C@H]([C@H](C(O)=O)NC(N[C@@H]1C(N[C@H](C(N[C@H](C(N([C@@H](C(N[C@H](C(NCCCC1)=O)CC2=CC=CC=C2)=O)CC(C3=C(NC([H])=O)C=CC=C3)=O)C)=O)CC(C)C)=O)C(C)C)=O)=O)C
+CH$IUPAC: InChI=1S/C45H64N8O10/c1-8-28(6)38(44(61)62)52-45(63)50-32-20-14-15-21-46-39(56)33(23-29-16-10-9-11-17-29)48-41(58)35(24-36(55)30-18-12-13-19-31(30)47-25-54)53(7)43(60)34(22-26(2)3)49-42(59)37(27(4)5)51-40(32)57/h9-13,16-19,25-28,32-35,37-38H,8,14-15,20-24H2,1-7H3,(H,46,56)(H,47,54)(H,48,58)(H,49,59)(H,51,57)(H,61,62)(H2,50,52,63)/t28-,32+,33+,34+,35-,37+,38-/m1/s1
+CH$LINK: PUBCHEM CID:146682035
+CH$LINK: INCHIKEY HQMATMGVGJKSPD-MMHNDARSSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 61-915
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.413 min
+MS$FOCUSED_ION: BASE_PEAK 877.4819
+MS$FOCUSED_ION: PRECURSOR_M/Z 877.4818
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 169176255.35
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-001i-9700000000-0655be58449b1145d332
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  67.0543 C5H7+ 1 67.0542 1.36
+  69.0699 C5H9+ 1 69.0699 0.74
+  72.0809 C4H10N+ 1 72.0808 1.06
+  82.0651 C5H8N+ 1 82.0651 -0.2
+  84.0808 C5H10N+ 1 84.0808 0.56
+  86.0964 C5H12N+ 1 86.0964 0.13
+  91.0542 C7H7+ 1 91.0542 0.09
+  92.0495 C6H6N+ 1 92.0495 0.03
+  103.0542 C8H7+ 1 103.0542 -0.29
+  105.0699 C8H9+ 1 105.0699 0.24
+  110.0601 C6H8NO+ 1 110.06 0.61
+  111.0916 C6H11N2+ 1 111.0917 -0.35
+  118.0652 C8H8N+ 1 118.0651 0.35
+  120.0444 C7H6NO+ 1 120.0444 0.24
+  120.0808 C8H10N+ 1 120.0808 -0.21
+  127.0865 C6H11N2O+ 1 127.0866 -0.49
+  129.1022 C6H13N2O+ 1 129.1022 -0.53
+  130.0289 C8H4NO+ 1 130.0287 1.14
+  130.0651 C9H8N+ 1 130.0651 -0.22
+  132.0444 C8H6NO+ 1 132.0444 -0.17
+  134.0962 C9H12N+ 1 134.0964 -1.63
+  146.06 C9H8NO+ 1 146.06 -0.32
+  148.0392 C8H6NO2+ 1 148.0393 -0.75
+  153.1021 C8H13N2O+ 1 153.1022 -0.71
+  155.0813 C7H11N2O2+ 1 155.0815 -1.27
+  156.0442 C10H6NO+ 1 156.0444 -1.02
+  161.1071 C10H13N2+ 1 161.1073 -1.65
+  174.0549 C10H8NO2+ 1 174.055 -0.52
+  174.1276 C12H16N+ 1 174.1277 -0.97
+  184.0394 C11H6NO2+ 1 184.0393 0.35
+  188.1431 C13H18N+ 1 188.1434 -1.44
+  189.1021 C11H13N2O+ 1 189.1022 -0.88
+  202.0494 C11H8NO3+ 2 202.0499 -2.18
+  226.1544 C11H20N3O2+ 2 226.155 -2.67
+PK$NUM_PEAK: 34
+PK$PEAK: m/z int. rel.int.
+  67.0543 556081.4 12
+  69.0699 729970 16
+  72.0809 4083949 90
+  82.0651 871312.1 19
+  84.0808 44988844 999
+  86.0964 6825434.5 151
+  91.0542 10836283 240
+  92.0495 595692.5 13
+  103.0542 1412106 31
+  105.0699 1446179.9 32
+  110.0601 779761.6 17
+  111.0916 637163.4 14
+  118.0652 553743.3 12
+  120.0444 6511157.5 144
+  120.0808 15877300 352
+  127.0865 539862.5 11
+  129.1022 2133734.2 47
+  130.0289 641983.6 14
+  130.0651 1189763.1 26
+  132.0444 2124630.2 47
+  134.0962 526117.9 11
+  146.06 10568269 234
+  148.0392 2809893.5 62
+  153.1021 1424019.4 31
+  155.0813 978873.6 21
+  156.0442 2614544.5 58
+  161.1071 961484.8 21
+  174.0549 3686160 81
+  174.1276 510767.9 11
+  184.0394 607694.8 13
+  188.1431 781591.8 17
+  189.1021 1599140.8 35
+  202.0494 498471.2 11
+  226.1544 650009.4 14
+//
diff --git a/Eawag/MSBNK-MLU-ED070209.txt b/Eawag/MSBNK-MLU-ED070209.txt
new file mode 100644
index 0000000000..f9fb268979
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED070209.txt
@@ -0,0 +1,78 @@
+ACCESSION: MSBNK-MLU-ED070209
+RECORD_TITLE: Brunsvicamide C; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Mueller [dtc], G. M. Koenig  [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 702
+CH$NAME: Brunsvicamide C
+CH$NAME: (((3S,6R,9S,12S,15S)-3-benzyl-6-(2-(2-formamidophenyl)-2-oxoethyl)-9-isobutyl-12-isopropyl-7-methyl-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentaazacyclononadecan-15-yl)carbamoyl)-D-isoleucine
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C45H64N8O10
+CH$EXACT_MASS: 876.4745402
+CH$SMILES: CC[C@H]([C@H](C(O)=O)NC(N[C@@H]1C(N[C@H](C(N[C@H](C(N([C@@H](C(N[C@H](C(NCCCC1)=O)CC2=CC=CC=C2)=O)CC(C3=C(NC([H])=O)C=CC=C3)=O)C)=O)CC(C)C)=O)C(C)C)=O)=O)C
+CH$IUPAC: InChI=1S/C45H64N8O10/c1-8-28(6)38(44(61)62)52-45(63)50-32-20-14-15-21-46-39(56)33(23-29-16-10-9-11-17-29)48-41(58)35(24-36(55)30-18-12-13-19-31(30)47-25-54)53(7)43(60)34(22-26(2)3)49-42(59)37(27(4)5)51-40(32)57/h9-13,16-19,25-28,32-35,37-38H,8,14-15,20-24H2,1-7H3,(H,46,56)(H,47,54)(H,48,58)(H,49,59)(H,51,57)(H,61,62)(H2,50,52,63)/t28-,32+,33+,34+,35-,37+,38-/m1/s1
+CH$LINK: PUBCHEM CID:146682035
+CH$LINK: INCHIKEY HQMATMGVGJKSPD-MMHNDARSSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 61-915
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.413 min
+MS$FOCUSED_ION: BASE_PEAK 877.4819
+MS$FOCUSED_ION: PRECURSOR_M/Z 877.4818
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 169176255.35
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0089-9600000000-eb8f47da4bf0a2258331
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  67.0543 C5H7+ 1 67.0542 1.59
+  69.07 C5H9+ 1 69.0699 1.51
+  82.0651 C5H8N+ 1 82.0651 0.08
+  84.0808 C5H10N+ 1 84.0808 0.38
+  86.0964 C5H12N+ 1 86.0964 -0.05
+  91.0542 C7H7+ 1 91.0542 0
+  92.0495 C6H6N+ 1 92.0495 0.19
+  105.0699 C8H9+ 1 105.0699 0.31
+  110.0601 C6H8NO+ 1 110.06 0.33
+  120.0444 C7H6NO+ 1 120.0444 0.36
+  120.0808 C8H10N+ 1 120.0808 -0.15
+  129.1022 C6H13N2O+ 1 129.1022 -0.53
+  130.0288 C8H4NO+ 1 130.0287 0.08
+  132.0444 C8H6NO+ 1 132.0444 -0.29
+  146.06 C9H8NO+ 1 146.06 -0.32
+  148.0392 C8H6NO2+ 1 148.0393 -0.75
+  153.1019 C8H13N2O+ 1 153.1022 -1.91
+  156.0442 C10H6NO+ 1 156.0444 -1.21
+PK$NUM_PEAK: 18
+PK$PEAK: m/z int. rel.int.
+  67.0543 1131968.5 27
+  69.07 847841.4 20
+  82.0651 1017161.8 24
+  84.0808 41378672 999
+  86.0964 4764497.5 115
+  91.0542 11141360 268
+  92.0495 1305323.1 31
+  105.0699 1656915.6 40
+  110.0601 732769.9 17
+  120.0444 6468195.5 156
+  120.0808 14376460 347
+  129.1022 850517.4 20
+  130.0288 1091991.1 26
+  132.0444 2552909.8 61
+  146.06 10341724 249
+  148.0392 2680763.2 64
+  153.1019 496602.4 11
+  156.0442 2034887.9 49
+//
diff --git a/Eawag/MSBNK-MLU-ED070251.txt b/Eawag/MSBNK-MLU-ED070251.txt
new file mode 100644
index 0000000000..8b46eaa9b0
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED070251.txt
@@ -0,0 +1,52 @@
+ACCESSION: MSBNK-MLU-ED070251
+RECORD_TITLE: Brunsvicamide C; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Mueller [dtc], G. M. Koenig  [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 702
+CH$NAME: Brunsvicamide C
+CH$NAME: (((3S,6R,9S,12S,15S)-3-benzyl-6-(2-(2-formamidophenyl)-2-oxoethyl)-9-isobutyl-12-isopropyl-7-methyl-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentaazacyclononadecan-15-yl)carbamoyl)-D-isoleucine
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C45H64N8O10
+CH$EXACT_MASS: 876.4745402
+CH$SMILES: CC[C@H]([C@H](C(O)=O)NC(N[C@@H]1C(N[C@H](C(N[C@H](C(N([C@@H](C(N[C@H](C(NCCCC1)=O)CC2=CC=CC=C2)=O)CC(C3=C(NC([H])=O)C=CC=C3)=O)C)=O)CC(C)C)=O)C(C)C)=O)=O)C
+CH$IUPAC: InChI=1S/C45H64N8O10/c1-8-28(6)38(44(61)62)52-45(63)50-32-20-14-15-21-46-39(56)33(23-29-16-10-9-11-17-29)48-41(58)35(24-36(55)30-18-12-13-19-31(30)47-25-54)53(7)43(60)34(22-26(2)3)49-42(59)37(27(4)5)51-40(32)57/h9-13,16-19,25-28,32-35,37-38H,8,14-15,20-24H2,1-7H3,(H,46,56)(H,47,54)(H,48,58)(H,49,59)(H,51,57)(H,61,62)(H2,50,52,63)/t28-,32+,33+,34+,35-,37+,38-/m1/s1
+CH$LINK: PUBCHEM CID:146682035
+CH$LINK: INCHIKEY HQMATMGVGJKSPD-MMHNDARSSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 60-910
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.434 min
+MS$FOCUSED_ION: BASE_PEAK 875.4672
+MS$FOCUSED_ION: PRECURSOR_M/Z 875.4673
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 82495426
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-014i-0000100930-fdce3c23ed91545cbc10
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  475.1983 C26H27N4O5- 6 475.1987 -0.82
+  716.3776 C38H50N7O7- 5 716.3777 -0.18
+  717.3835 C35H53N6O10- 3 717.3829 0.9
+  829.4611 C44H61N8O8- 1 829.4618 -0.78
+  857.4571 C45H61N8O9- 1 857.4567 0.49
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  475.1983 918711.4 150
+  716.3776 6095020 999
+  717.3835 340922.4 55
+  829.4611 1057304 173
+  857.4571 1426909.2 233
+//
diff --git a/Eawag/MSBNK-MLU-ED070252.txt b/Eawag/MSBNK-MLU-ED070252.txt
new file mode 100644
index 0000000000..5c63261bc6
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED070252.txt
@@ -0,0 +1,66 @@
+ACCESSION: MSBNK-MLU-ED070252
+RECORD_TITLE: Brunsvicamide C; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Mueller [dtc], G. M. Koenig  [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 702
+CH$NAME: Brunsvicamide C
+CH$NAME: (((3S,6R,9S,12S,15S)-3-benzyl-6-(2-(2-formamidophenyl)-2-oxoethyl)-9-isobutyl-12-isopropyl-7-methyl-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentaazacyclononadecan-15-yl)carbamoyl)-D-isoleucine
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C45H64N8O10
+CH$EXACT_MASS: 876.4745402
+CH$SMILES: CC[C@H]([C@H](C(O)=O)NC(N[C@@H]1C(N[C@H](C(N[C@H](C(N([C@@H](C(N[C@H](C(NCCCC1)=O)CC2=CC=CC=C2)=O)CC(C3=C(NC([H])=O)C=CC=C3)=O)C)=O)CC(C)C)=O)C(C)C)=O)=O)C
+CH$IUPAC: InChI=1S/C45H64N8O10/c1-8-28(6)38(44(61)62)52-45(63)50-32-20-14-15-21-46-39(56)33(23-29-16-10-9-11-17-29)48-41(58)35(24-36(55)30-18-12-13-19-31(30)47-25-54)53(7)43(60)34(22-26(2)3)49-42(59)37(27(4)5)51-40(32)57/h9-13,16-19,25-28,32-35,37-38H,8,14-15,20-24H2,1-7H3,(H,46,56)(H,47,54)(H,48,58)(H,49,59)(H,51,57)(H,61,62)(H2,50,52,63)/t28-,32+,33+,34+,35-,37+,38-/m1/s1
+CH$LINK: PUBCHEM CID:146682035
+CH$LINK: INCHIKEY HQMATMGVGJKSPD-MMHNDARSSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 60-910
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.434 min
+MS$FOCUSED_ION: BASE_PEAK 875.4672
+MS$FOCUSED_ION: PRECURSOR_M/Z 875.4673
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 82495426
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-014i-0000010910-b5e4c6db7d9686790b5c
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  268.1654 C11H20N6O2- 2 268.1653 0.24
+  319.107 C17H13N5O2- 3 319.1075 -1.58
+  475.1981 C26H27N4O5- 6 475.1987 -1.34
+  543.3295 C28H43N6O5- 5 543.33 -0.97
+  569.3091 C29H41N6O6- 5 569.3093 -0.35
+  571.3245 C43H41N- 6 571.3244 0.06
+  655.361 C37H47N6O5- 6 655.3613 -0.48
+  684.4085 C35H54N7O7- 5 684.409 -0.73
+  716.378 C38H50N7O7- 5 716.3777 0.33
+  717.3806 C35H53N6O10- 3 717.3829 -3.18
+  829.4624 C44H61N8O8- 1 829.4618 0.77
+  857.4554 C45H61N8O9- 1 857.4567 -1.57
+PK$NUM_PEAK: 12
+PK$PEAK: m/z int. rel.int.
+  268.1654 130012.7 12
+  319.107 133907.1 12
+  475.1981 962312.3 89
+  543.3295 368819.6 34
+  569.3091 474687 43
+  571.3245 643955.1 59
+  655.361 126644.2 11
+  684.4085 152543.9 14
+  716.378 10787172 999
+  717.3806 669004.8 61
+  829.4624 1665138 154
+  857.4554 215362.6 19
+//
diff --git a/Eawag/MSBNK-MLU-ED070253.txt b/Eawag/MSBNK-MLU-ED070253.txt
new file mode 100644
index 0000000000..47b483cf39
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED070253.txt
@@ -0,0 +1,86 @@
+ACCESSION: MSBNK-MLU-ED070253
+RECORD_TITLE: Brunsvicamide C; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Mueller [dtc], G. M. Koenig  [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 702
+CH$NAME: Brunsvicamide C
+CH$NAME: (((3S,6R,9S,12S,15S)-3-benzyl-6-(2-(2-formamidophenyl)-2-oxoethyl)-9-isobutyl-12-isopropyl-7-methyl-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentaazacyclononadecan-15-yl)carbamoyl)-D-isoleucine
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C45H64N8O10
+CH$EXACT_MASS: 876.4745402
+CH$SMILES: CC[C@H]([C@H](C(O)=O)NC(N[C@@H]1C(N[C@H](C(N[C@H](C(N([C@@H](C(N[C@H](C(NCCCC1)=O)CC2=CC=CC=C2)=O)CC(C3=C(NC([H])=O)C=CC=C3)=O)C)=O)CC(C)C)=O)C(C)C)=O)=O)C
+CH$IUPAC: InChI=1S/C45H64N8O10/c1-8-28(6)38(44(61)62)52-45(63)50-32-20-14-15-21-46-39(56)33(23-29-16-10-9-11-17-29)48-41(58)35(24-36(55)30-18-12-13-19-31(30)47-25-54)53(7)43(60)34(22-26(2)3)49-42(59)37(27(4)5)51-40(32)57/h9-13,16-19,25-28,32-35,37-38H,8,14-15,20-24H2,1-7H3,(H,46,56)(H,47,54)(H,48,58)(H,49,59)(H,51,57)(H,61,62)(H2,50,52,63)/t28-,32+,33+,34+,35-,37+,38-/m1/s1
+CH$LINK: PUBCHEM CID:146682035
+CH$LINK: INCHIKEY HQMATMGVGJKSPD-MMHNDARSSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 60-910
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.434 min
+MS$FOCUSED_ION: BASE_PEAK 875.4672
+MS$FOCUSED_ION: PRECURSOR_M/Z 875.4673
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 82495426
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-014i-0000140910-6f26d2196e3f543e4d3f
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  130.0861 C4H10N4O- 1 130.086 0.82
+  172.0389 C8H4N4O- 1 172.0391 -0.88
+  174.0548 C8H6N4O- 1 174.0547 0.25
+  189.0652 C8H7N5O- 3 189.0656 -2.23
+  252.1697 C11H20N6O- 2 252.1704 -2.83
+  268.1645 C11H20N6O2- 2 268.1653 -2.95
+  319.1076 C17H13N5O2- 4 319.1075 0.43
+  424.2558 C19H38NO9- 5 424.2552 1.41
+  431.2081 C25H27N4O3- 5 431.2089 -1.82
+  475.1986 C26H27N4O5- 5 475.1987 -0.25
+  526.3046 C28H40N5O5- 5 526.3035 2.09
+  529.2433 C30H33N4O5- 6 529.2456 -4.43
+  543.3293 C27H47N2O9- 5 543.3287 1.05
+  569.3091 C29H41N6O6- 5 569.3093 -0.35
+  571.3247 C43H41N- 5 571.3244 0.38
+  585.3407 C30H45N6O6- 7 585.3406 0.08
+  655.3615 C37H47N6O5- 6 655.3613 0.18
+  656.4135 C34H54N7O6- 5 656.4141 -0.98
+  684.4094 C35H54N7O7- 5 684.409 0.52
+  716.378 C38H50N7O7- 5 716.3777 0.33
+  717.3812 C35H53N6O10- 3 717.3829 -2.33
+  829.4618 C44H61N8O8- 1 829.4618 0.03
+PK$NUM_PEAK: 22
+PK$PEAK: m/z int. rel.int.
+  130.0861 118434.1 17
+  172.0389 207449.7 30
+  174.0548 138358.9 20
+  189.0652 212540.4 31
+  252.1697 82690.6 12
+  268.1645 96796.6 14
+  319.1076 281438.9 41
+  424.2558 402238.6 59
+  431.2081 185681.2 27
+  475.1986 244319.8 36
+  526.3046 237332.2 35
+  529.2433 77962.3 11
+  543.3293 1358951.6 202
+  569.3091 618947.9 92
+  571.3247 824273.7 122
+  585.3407 240936.1 35
+  655.3615 323466.2 48
+  656.4135 177115.5 26
+  684.4094 193657.3 28
+  716.378 6708890 999
+  717.3812 472075.7 70
+  829.4618 943723.5 140
+//
diff --git a/Eawag/MSBNK-MLU-ED070254.txt b/Eawag/MSBNK-MLU-ED070254.txt
new file mode 100644
index 0000000000..86bdcc51ad
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED070254.txt
@@ -0,0 +1,100 @@
+ACCESSION: MSBNK-MLU-ED070254
+RECORD_TITLE: Brunsvicamide C; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Mueller [dtc], G. M. Koenig  [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 702
+CH$NAME: Brunsvicamide C
+CH$NAME: (((3S,6R,9S,12S,15S)-3-benzyl-6-(2-(2-formamidophenyl)-2-oxoethyl)-9-isobutyl-12-isopropyl-7-methyl-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentaazacyclononadecan-15-yl)carbamoyl)-D-isoleucine
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C45H64N8O10
+CH$EXACT_MASS: 876.4745402
+CH$SMILES: CC[C@H]([C@H](C(O)=O)NC(N[C@@H]1C(N[C@H](C(N[C@H](C(N([C@@H](C(N[C@H](C(NCCCC1)=O)CC2=CC=CC=C2)=O)CC(C3=C(NC([H])=O)C=CC=C3)=O)C)=O)CC(C)C)=O)C(C)C)=O)=O)C
+CH$IUPAC: InChI=1S/C45H64N8O10/c1-8-28(6)38(44(61)62)52-45(63)50-32-20-14-15-21-46-39(56)33(23-29-16-10-9-11-17-29)48-41(58)35(24-36(55)30-18-12-13-19-31(30)47-25-54)53(7)43(60)34(22-26(2)3)49-42(59)37(27(4)5)51-40(32)57/h9-13,16-19,25-28,32-35,37-38H,8,14-15,20-24H2,1-7H3,(H,46,56)(H,47,54)(H,48,58)(H,49,59)(H,51,57)(H,61,62)(H2,50,52,63)/t28-,32+,33+,34+,35-,37+,38-/m1/s1
+CH$LINK: PUBCHEM CID:146682035
+CH$LINK: INCHIKEY HQMATMGVGJKSPD-MMHNDARSSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 60-910
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.434 min
+MS$FOCUSED_ION: BASE_PEAK 875.4672
+MS$FOCUSED_ION: PRECURSOR_M/Z 875.4673
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 82495426
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00r6-0511190500-9c2f5ae83c4753fcdb5a
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  130.0861 C4H10N4O- 1 130.086 0.93
+  131.0363 C6H3N4- 1 131.0363 -0.11
+  144.044 C7H4N4- 1 144.0441 -1.07
+  146.0595 C7H6N4- 1 146.0598 -1.8
+  155.0813 C5H9N5O- 1 155.0813 0.19
+  169.0968 C6H11N5O- 1 169.0969 -0.35
+  172.039 C8H4N4O- 1 172.0391 -0.08
+  174.0547 C8H6N4O- 1 174.0547 -0.19
+  185.0701 C9H7N5- 2 185.0707 -3.15
+  186.0541 C9H6N4O- 3 186.0547 -3.24
+  189.0655 C8H7N5O- 1 189.0656 -0.37
+  200.0337 C9H4N4O2- 1 200.034 -1.39
+  242.1866 C10H22N6O- 2 242.1861 2.36
+  252.1703 C11H20N6O- 2 252.1704 -0.53
+  268.1653 C11H20N6O2- 2 268.1653 -0.11
+  276.1013 C16H12N4O- 3 276.1017 -1.39
+  319.1081 C17H13N5O2- 3 319.1075 1.96
+  356.1975 C20H26N3O3- 3 356.198 -1.41
+  396.2608 C18H38NO8- 4 396.2603 1.27
+  424.2556 C19H38NO9- 4 424.2552 0.84
+  431.2074 C25H27N4O3- 4 431.2089 -3.45
+  526.3031 C28H40N5O5- 5 526.3035 -0.7
+  529.2481 C30H33N4O5- 6 529.2456 4.68
+  543.3295 C28H43N6O5- 5 543.33 -0.97
+  571.3247 C43H41N- 5 571.3244 0.38
+  655.3614 C37H47N6O5- 6 655.3613 0.08
+  716.3778 C38H50N7O7- 5 716.3777 0.16
+  717.3832 C35H53N6O10- 3 717.3829 0.48
+  829.4638 C44H61N8O8- 1 829.4618 2.39
+PK$NUM_PEAK: 29
+PK$PEAK: m/z int. rel.int.
+  130.0861 226495.3 86
+  131.0363 92422.9 35
+  144.044 177195.8 67
+  146.0595 124912.4 47
+  155.0813 74936.2 28
+  169.0968 194598.2 74
+  172.039 569519.5 217
+  174.0547 322599.1 122
+  185.0701 30593.2 11
+  186.0541 48471.9 18
+  189.0655 639057.6 243
+  200.0337 67171 25
+  242.1866 172269.2 65
+  252.1703 237768.3 90
+  268.1653 250309 95
+  276.1013 66082.1 25
+  319.1081 279598.5 106
+  356.1975 81327.6 30
+  396.2608 565191.8 215
+  424.2556 346438.4 132
+  431.2074 140901.8 53
+  526.3031 766035.6 291
+  529.2481 55908.7 21
+  543.3295 2621808 999
+  571.3247 843687.8 321
+  655.3614 301564.8 114
+  716.3778 2576256 981
+  717.3832 185298.8 70
+  829.4638 357870.2 136
+//
diff --git a/Eawag/MSBNK-MLU-ED070255.txt b/Eawag/MSBNK-MLU-ED070255.txt
new file mode 100644
index 0000000000..fee9aa840d
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED070255.txt
@@ -0,0 +1,142 @@
+ACCESSION: MSBNK-MLU-ED070255
+RECORD_TITLE: Brunsvicamide C; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Mueller [dtc], G. M. Koenig  [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 702
+CH$NAME: Brunsvicamide C
+CH$NAME: (((3S,6R,9S,12S,15S)-3-benzyl-6-(2-(2-formamidophenyl)-2-oxoethyl)-9-isobutyl-12-isopropyl-7-methyl-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentaazacyclononadecan-15-yl)carbamoyl)-D-isoleucine
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C45H64N8O10
+CH$EXACT_MASS: 876.4745402
+CH$SMILES: CC[C@H]([C@H](C(O)=O)NC(N[C@@H]1C(N[C@H](C(N[C@H](C(N([C@@H](C(N[C@H](C(NCCCC1)=O)CC2=CC=CC=C2)=O)CC(C3=C(NC([H])=O)C=CC=C3)=O)C)=O)CC(C)C)=O)C(C)C)=O)=O)C
+CH$IUPAC: InChI=1S/C45H64N8O10/c1-8-28(6)38(44(61)62)52-45(63)50-32-20-14-15-21-46-39(56)33(23-29-16-10-9-11-17-29)48-41(58)35(24-36(55)30-18-12-13-19-31(30)47-25-54)53(7)43(60)34(22-26(2)3)49-42(59)37(27(4)5)51-40(32)57/h9-13,16-19,25-28,32-35,37-38H,8,14-15,20-24H2,1-7H3,(H,46,56)(H,47,54)(H,48,58)(H,49,59)(H,51,57)(H,61,62)(H2,50,52,63)/t28-,32+,33+,34+,35-,37+,38-/m1/s1
+CH$LINK: PUBCHEM CID:146682035
+CH$LINK: INCHIKEY HQMATMGVGJKSPD-MMHNDARSSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 60-910
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.434 min
+MS$FOCUSED_ION: BASE_PEAK 875.4672
+MS$FOCUSED_ION: PRECURSOR_M/Z 875.4673
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 82495426
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00kf-0941010000-151186d36aece90b216a
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  98.0109 CN5O- 1 98.0108 0.91
+  99.0189 CHN5O- 1 99.0187 2.02
+  112.0265 C2H2N5O- 1 112.0265 -0.29
+  115.0864 C3H9N5- 1 115.0863 0.35
+  125.0707 C4H7N5- 1 125.0707 0.35
+  126.0549 C4H6N4O- 1 126.0547 1.49
+  130.0862 C4H10N4O- 1 130.086 1.17
+  131.0365 C6H3N4- 1 131.0363 1.17
+  132.0437 C6H4N4- 1 132.0441 -3.35
+  141.0659 C4H7N5O- 1 141.0656 2.28
+  143.1178 C5H13N5- 1 143.1176 0.92
+  144.0442 C7H4N4- 1 144.0441 0.09
+  146.06 C7H6N4- 1 146.0598 1.13
+  152.0818 C5H8N6- 1 152.0816 1.25
+  153.0651 C5H7N5O- 1 153.0656 -3.17
+  155.0812 C5H9N5O- 1 155.0813 -0.5
+  169.097 C6H11N5O- 1 169.0969 0.55
+  172.039 C8H4N4O- 1 172.0391 -0.44
+  174.0545 C8H6N4O- 1 174.0547 -1.24
+  185.0709 C9H7N5- 1 185.0707 1.06
+  186.055 C9H6N4O- 1 186.0547 1.76
+  187.086 C9H9N5- 1 187.0863 -1.85
+  188.0707 C9H8N4O- 1 188.0704 1.95
+  189.0655 C8H7N5O- 1 189.0656 -0.53
+  192.0766 C7H8N6O- 1 192.0765 0.65
+  200.0341 C9H4N4O2- 1 200.034 0.44
+  211.1434 C9H17N5O- 3 211.1439 -2.05
+  225.1102 C8H13N6O2- 2 225.1105 -1.74
+  226.1553 C9H18N6O- 2 226.1548 2.29
+  227.1174 C12H13N5- 2 227.1176 -0.91
+  229.1334 C12H15N5- 1 229.1333 0.27
+  240.1698 C10H20N6O- 2 240.1704 -2.33
+  242.1859 C10H22N6O- 2 242.1861 -0.53
+  244.1448 C12H16N6- 2 244.1442 2.44
+  252.1702 C11H20N6O- 2 252.1704 -0.95
+  254.1864 C11H22N6O- 2 254.1861 1.52
+  268.1654 C11H20N6O2- 2 268.1653 0.24
+  272.1396 C13H16N6O- 3 272.1391 1.87
+  274.155 C13H18N6O- 2 274.1548 0.8
+  276.1024 C16H12N4O- 3 276.1017 2.59
+  300.1346 C14H16N6O2- 3 300.134 1.83
+  319.108 C17H13N5O2- 3 319.1075 1.67
+  356.1978 C20H26N3O3- 4 356.198 -0.55
+  373.2231 C18H27N7O2- 4 373.2232 -0.24
+  396.2604 C18H38NO8- 4 396.2603 0.35
+  424.2559 C19H38NO9- 5 424.2552 1.55
+  500.3233 C26H46NO8- 5 500.3229 0.82
+  543.3293 C27H47N2O9- 5 543.3287 1.16
+  585.3411 C30H45N6O6- 6 585.3406 0.81
+  656.4143 C34H54N7O6- 6 656.4141 0.32
+PK$NUM_PEAK: 50
+PK$PEAK: m/z int. rel.int.
+  98.0109 37988.4 43
+  99.0189 28494.2 32
+  112.0265 89289.3 101
+  115.0864 36440.3 41
+  125.0707 76187.6 86
+  126.0549 49711.7 56
+  130.0862 340382.4 388
+  131.0365 299084.1 341
+  132.0437 27193.5 31
+  141.0659 28774.7 32
+  143.1178 173789.9 198
+  144.0442 610235.8 696
+  146.06 504499.8 575
+  152.0818 26693.7 30
+  153.0651 50653.8 57
+  155.0812 226009.5 257
+  169.097 802205.7 914
+  172.039 641965 732
+  174.0545 289137.9 329
+  185.0709 78234.2 89
+  186.055 43569.9 49
+  187.086 30695.2 35
+  188.0707 44906.1 51
+  189.0655 832539.1 949
+  192.0766 46569.7 53
+  200.0341 47902.8 54
+  211.1434 114402.6 130
+  225.1102 44320.7 50
+  226.1553 59906.9 68
+  227.1174 181089.3 206
+  229.1334 74897.8 85
+  240.1698 49165.7 56
+  242.1859 875867.4 999
+  244.1448 52859.3 60
+  252.1702 384695.1 438
+  254.1864 72921.5 83
+  268.1654 486969.8 555
+  272.1396 35922 40
+  274.155 41818.9 47
+  276.1024 98822.7 112
+  300.1346 137628.8 156
+  319.108 102296.8 116
+  356.1978 181005 206
+  373.2231 121274.4 138
+  396.2604 421870 481
+  424.2559 88318.9 100
+  500.3233 49236.3 56
+  543.3293 789833.4 900
+  585.3411 93256.4 106
+  656.4143 45319 51
+//
diff --git a/Eawag/MSBNK-MLU-ED070256.txt b/Eawag/MSBNK-MLU-ED070256.txt
new file mode 100644
index 0000000000..209618d7a7
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED070256.txt
@@ -0,0 +1,150 @@
+ACCESSION: MSBNK-MLU-ED070256
+RECORD_TITLE: Brunsvicamide C; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Mueller [dtc], G. M. Koenig  [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 702
+CH$NAME: Brunsvicamide C
+CH$NAME: (((3S,6R,9S,12S,15S)-3-benzyl-6-(2-(2-formamidophenyl)-2-oxoethyl)-9-isobutyl-12-isopropyl-7-methyl-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentaazacyclononadecan-15-yl)carbamoyl)-D-isoleucine
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C45H64N8O10
+CH$EXACT_MASS: 876.4745402
+CH$SMILES: CC[C@H]([C@H](C(O)=O)NC(N[C@@H]1C(N[C@H](C(N[C@H](C(N([C@@H](C(N[C@H](C(NCCCC1)=O)CC2=CC=CC=C2)=O)CC(C3=C(NC([H])=O)C=CC=C3)=O)C)=O)CC(C)C)=O)C(C)C)=O)=O)C
+CH$IUPAC: InChI=1S/C45H64N8O10/c1-8-28(6)38(44(61)62)52-45(63)50-32-20-14-15-21-46-39(56)33(23-29-16-10-9-11-17-29)48-41(58)35(24-36(55)30-18-12-13-19-31(30)47-25-54)53(7)43(60)34(22-26(2)3)49-42(59)37(27(4)5)51-40(32)57/h9-13,16-19,25-28,32-35,37-38H,8,14-15,20-24H2,1-7H3,(H,46,56)(H,47,54)(H,48,58)(H,49,59)(H,51,57)(H,61,62)(H2,50,52,63)/t28-,32+,33+,34+,35-,37+,38-/m1/s1
+CH$LINK: PUBCHEM CID:146682035
+CH$LINK: INCHIKEY HQMATMGVGJKSPD-MMHNDARSSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 60-910
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.434 min
+MS$FOCUSED_ION: BASE_PEAK 875.4672
+MS$FOCUSED_ION: PRECURSOR_M/Z 875.4673
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 82495426
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0006-0930000000-af4ad733346601c84f49
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  71.0236 HN5- 1 71.0237 -1.72
+  98.0108 CN5O- 1 98.0108 -0.03
+  99.0186 CHN5O- 1 99.0187 -0.52
+  111.0185 C2HN5O- 1 111.0187 -1.24
+  112.0265 C2H2N5O- 1 112.0265 -0.22
+  115.0863 C3H9N5- 1 115.0863 -0.05
+  124.0629 C4H6N5- 1 124.0629 0.33
+  125.0338 C3H3N5O- 1 125.0343 -3.73
+  125.071 C4H7N5- 1 125.0707 2.67
+  126.0544 C4H6N4O- 1 126.0547 -2.14
+  129.1025 C4H11N5- 1 129.102 3.77
+  130.086 C4H10N4O- 1 130.086 0.23
+  131.0364 C6H3N4- 1 131.0363 0.47
+  132.0441 C6H4N4- 1 132.0441 -0.46
+  141.0658 C4H7N5O- 1 141.0656 1.42
+  143.1177 C5H13N5- 1 143.1176 0.39
+  144.0443 C7H4N4- 1 144.0441 0.83
+  145.064 C8H7N3- 1 145.0645 -3.46
+  146.0599 C7H6N4- 1 146.0598 0.4
+  147.044 C7H5N3O- 1 147.0438 1.21
+  152.0814 C5H8N6- 1 152.0816 -1.26
+  153.0657 C5H7N5O- 1 153.0656 0.32
+  153.1018 C6H11N5- 1 153.102 -1.23
+  154.0971 C5H10N6- 1 154.0972 -0.77
+  155.0814 C5H9N5O- 1 155.0813 0.68
+  167.0813 C6H9N5O- 1 167.0813 0.02
+  169.0968 C6H11N5O- 1 169.0969 -0.71
+  170.092 C5H10N6O- 1 170.0922 -0.65
+  172.039 C8H4N4O- 1 172.0391 -0.17
+  173.0707 C8H7N5- 1 173.0707 0.09
+  174.0546 C8H6N4O- 1 174.0547 -0.36
+  181.1338 C8H15N5- 2 181.1333 2.77
+  183.1488 C8H17N5- 1 183.1489 -0.55
+  185.0708 C9H7N5- 1 185.0707 0.4
+  187.0854 C9H9N5- 2 187.0863 -4.87
+  188.0707 C9H8N4O- 1 188.0704 1.7
+  189.0656 C8H7N5O- 1 189.0656 -0.13
+  192.0766 C7H8N6O- 1 192.0765 0.26
+  193.1337 C9H15N5- 2 193.1333 2.26
+  200.0333 C9H4N4O2- 3 200.034 -3.53
+  211.1436 C9H17N5O- 1 211.1439 -1.33
+  225.1104 C8H13N6O2- 1 225.1105 -0.59
+  226.1543 C9H18N6O- 2 226.1548 -2.16
+  227.117 C11H17NO4- 2 227.1163 2.89
+  229.1331 C12H15N5- 1 229.1333 -0.79
+  240.1703 C10H20N6O- 1 240.1704 -0.55
+  242.1859 C10H22N6O- 2 242.1861 -0.85
+  244.1445 C12H16N6- 2 244.1442 1.25
+  252.17 C11H20N6O- 2 252.1704 -1.62
+  268.165 C11H20N6O2- 2 268.1653 -1.13
+  272.1392 C13H16N6O- 2 272.1391 0.41
+  300.1346 C14H16N6O2- 3 300.134 1.83
+  337.1891 C16H25N4O4- 3 337.1881 2.9
+  396.2607 C18H38NO8- 4 396.2603 1.04
+PK$NUM_PEAK: 54
+PK$PEAK: m/z int. rel.int.
+  71.0236 49893.7 44
+  98.0108 70327.9 62
+  99.0186 99134.8 88
+  111.0185 46459.5 41
+  112.0265 276446.2 246
+  115.0863 112196.4 100
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+  125.0338 22686 20
+  125.071 159156 142
+  126.0544 61062 54
+  129.1025 18455.6 16
+  130.086 442181 395
+  131.0364 757496.1 676
+  132.0441 42287.6 37
+  141.0658 75392.6 67
+  143.1177 582106.6 520
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+  145.064 29066.8 25
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+  147.044 23985.2 21
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+  153.0657 68413.6 61
+  153.1018 42789.2 38
+  154.0971 34262.1 30
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+  167.0813 51346.6 45
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+  170.092 126353.8 112
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+  181.1338 25617.7 22
+  183.1488 64631 57
+  185.0708 88570.8 79
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+  188.0707 23555.6 21
+  189.0656 517105.5 462
+  192.0766 87148.7 77
+  193.1337 43029.8 38
+  200.0333 43355.5 38
+  211.1436 228610.1 204
+  225.1104 133919.9 119
+  226.1543 66553.4 59
+  227.117 246390 220
+  229.1331 124947.4 111
+  240.1703 43351.9 38
+  242.1859 1111079.2 992
+  244.1445 46778.9 41
+  252.17 188057 168
+  268.165 269011.2 240
+  272.1392 33368.4 29
+  300.1346 83693.2 74
+  337.1891 130918.6 116
+  396.2607 91532.3 81
+//
diff --git a/Eawag/MSBNK-MLU-ED070257.txt b/Eawag/MSBNK-MLU-ED070257.txt
new file mode 100644
index 0000000000..3b48106640
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED070257.txt
@@ -0,0 +1,128 @@
+ACCESSION: MSBNK-MLU-ED070257
+RECORD_TITLE: Brunsvicamide C; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Mueller [dtc], G. M. Koenig  [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 702
+CH$NAME: Brunsvicamide C
+CH$NAME: (((3S,6R,9S,12S,15S)-3-benzyl-6-(2-(2-formamidophenyl)-2-oxoethyl)-9-isobutyl-12-isopropyl-7-methyl-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentaazacyclononadecan-15-yl)carbamoyl)-D-isoleucine
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C45H64N8O10
+CH$EXACT_MASS: 876.4745402
+CH$SMILES: CC[C@H]([C@H](C(O)=O)NC(N[C@@H]1C(N[C@H](C(N[C@H](C(N([C@@H](C(N[C@H](C(NCCCC1)=O)CC2=CC=CC=C2)=O)CC(C3=C(NC([H])=O)C=CC=C3)=O)C)=O)CC(C)C)=O)C(C)C)=O)=O)C
+CH$IUPAC: InChI=1S/C45H64N8O10/c1-8-28(6)38(44(61)62)52-45(63)50-32-20-14-15-21-46-39(56)33(23-29-16-10-9-11-17-29)48-41(58)35(24-36(55)30-18-12-13-19-31(30)47-25-54)53(7)43(60)34(22-26(2)3)49-42(59)37(27(4)5)51-40(32)57/h9-13,16-19,25-28,32-35,37-38H,8,14-15,20-24H2,1-7H3,(H,46,56)(H,47,54)(H,48,58)(H,49,59)(H,51,57)(H,61,62)(H2,50,52,63)/t28-,32+,33+,34+,35-,37+,38-/m1/s1
+CH$LINK: PUBCHEM CID:146682035
+CH$LINK: INCHIKEY HQMATMGVGJKSPD-MMHNDARSSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 60-910
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.434 min
+MS$FOCUSED_ION: BASE_PEAK 875.4672
+MS$FOCUSED_ION: PRECURSOR_M/Z 875.4673
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 82495426
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-000x-0910000000-b304f5498b7796cdd92f
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  71.0236 HN5- 1 71.0237 -1.62
+  82.0157 CN5- 1 82.0159 -2.94
+  98.0106 CN5O- 1 98.0108 -2.05
+  99.0189 CHN5O- 1 99.0187 2.49
+  111.0186 C2HN5O- 1 111.0187 -0.76
+  112.0266 C2H2N5O- 1 112.0265 0.73
+  115.0862 C3H9N5- 1 115.0863 -1.24
+  124.0629 C4H6N5- 1 124.0629 0.15
+  125.0343 C3H3N5O- 1 125.0343 0.29
+  125.071 C4H7N5- 1 125.0707 2.3
+  126.091 C5H10N4- 1 126.0911 -0.39
+  130.086 C4H10N4O- 1 130.086 -0.01
+  131.0364 C6H3N4- 1 131.0363 0.24
+  132.0444 C6H4N4- 1 132.0441 1.62
+  143.1178 C5H13N5- 1 143.1176 0.81
+  144.0442 C7H4N4- 1 144.0441 0.41
+  145.0643 C8H7N3- 1 145.0645 -1.88
+  146.0599 C7H6N4- 1 146.0598 0.5
+  152.0816 C5H8N6- 1 152.0816 0.15
+  153.0651 C5H7N5O- 1 153.0656 -3.07
+  153.1017 C6H11N5- 1 153.102 -2.13
+  154.097 C5H10N6- 1 154.0972 -1.47
+  155.0812 C5H9N5O- 1 155.0813 -0.1
+  167.0819 C6H9N5O- 2 167.0813 3.95
+  169.0968 C6H11N5O- 1 169.0969 -0.53
+  170.0919 C5H10N6O- 1 170.0922 -1.64
+  172.039 C8H4N4O- 1 172.0391 -0.26
+  173.071 C8H7N5- 1 173.0707 1.68
+  174.0541 C8H6N4O- 3 174.0547 -3.34
+  181.1332 C8H15N5- 1 181.1333 -0.52
+  183.1489 C8H17N5- 1 183.1489 -0.38
+  189.0655 C8H7N5O- 1 189.0656 -0.45
+  192.0764 C7H8N6O- 1 192.0765 -0.7
+  193.1333 C9H15N5- 1 193.1333 -0.19
+  211.1439 C9H17N5O- 1 211.1439 -0.03
+  225.1103 C8H13N6O2- 1 225.1105 -0.93
+  227.1171 C12H13N5- 2 227.1176 -2.39
+  229.1334 C12H15N5- 1 229.1333 0.4
+  242.1859 C10H22N6O- 1 242.1861 -0.47
+  252.1343 C10H16N6O2- 2 252.134 1.08
+  252.1704 C11H20N6O- 1 252.1704 -0.11
+  268.1658 C11H20N6O2- 2 268.1653 1.83
+  337.1876 C16H25N4O4- 3 337.1881 -1.63
+PK$NUM_PEAK: 43
+PK$PEAK: m/z int. rel.int.
+  71.0236 44798.6 36
+  82.0157 21182.4 17
+  98.0106 148417.4 120
+  99.0189 106979 86
+  111.0186 83684.5 67
+  112.0266 326726.8 265
+  115.0862 185343 150
+  124.0629 29060.3 23
+  125.0343 51210.9 41
+  125.071 195541.1 158
+  126.091 69263.4 56
+  130.086 378144.6 306
+  131.0364 988888.4 802
+  132.0444 56205.8 45
+  143.1178 552618.9 448
+  144.0442 1231234.9 999
+  145.0643 34320.2 27
+  146.0599 319425.6 259
+  152.0816 58314.3 47
+  153.0651 35484.1 28
+  153.1017 37716.5 30
+  154.097 52213.8 42
+  155.0812 159581 129
+  167.0819 44119.8 35
+  169.0968 383302.1 311
+  170.0919 66175.5 53
+  172.039 161355.3 130
+  173.071 24011.7 19
+  174.0541 38064.5 30
+  181.1332 44504.4 36
+  183.1489 93490.4 75
+  189.0655 133605.5 108
+  192.0764 84810 68
+  193.1333 51564 41
+  211.1439 154043.3 124
+  225.1103 112063.6 90
+  227.1171 110296.5 89
+  229.1334 81512.7 66
+  242.1859 435625.6 353
+  252.1343 36712.5 29
+  252.1704 33407.8 27
+  268.1658 70249.4 56
+  337.1876 41121.3 33
+//
diff --git a/Eawag/MSBNK-MLU-ED070258.txt b/Eawag/MSBNK-MLU-ED070258.txt
new file mode 100644
index 0000000000..a622306ba4
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED070258.txt
@@ -0,0 +1,114 @@
+ACCESSION: MSBNK-MLU-ED070258
+RECORD_TITLE: Brunsvicamide C; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Mueller [dtc], G. M. Koenig  [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 702
+CH$NAME: Brunsvicamide C
+CH$NAME: (((3S,6R,9S,12S,15S)-3-benzyl-6-(2-(2-formamidophenyl)-2-oxoethyl)-9-isobutyl-12-isopropyl-7-methyl-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentaazacyclononadecan-15-yl)carbamoyl)-D-isoleucine
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C45H64N8O10
+CH$EXACT_MASS: 876.4745402
+CH$SMILES: CC[C@H]([C@H](C(O)=O)NC(N[C@@H]1C(N[C@H](C(N[C@H](C(N([C@@H](C(N[C@H](C(NCCCC1)=O)CC2=CC=CC=C2)=O)CC(C3=C(NC([H])=O)C=CC=C3)=O)C)=O)CC(C)C)=O)C(C)C)=O)=O)C
+CH$IUPAC: InChI=1S/C45H64N8O10/c1-8-28(6)38(44(61)62)52-45(63)50-32-20-14-15-21-46-39(56)33(23-29-16-10-9-11-17-29)48-41(58)35(24-36(55)30-18-12-13-19-31(30)47-25-54)53(7)43(60)34(22-26(2)3)49-42(59)37(27(4)5)51-40(32)57/h9-13,16-19,25-28,32-35,37-38H,8,14-15,20-24H2,1-7H3,(H,46,56)(H,47,54)(H,48,58)(H,49,59)(H,51,57)(H,61,62)(H2,50,52,63)/t28-,32+,33+,34+,35-,37+,38-/m1/s1
+CH$LINK: PUBCHEM CID:146682035
+CH$LINK: INCHIKEY HQMATMGVGJKSPD-MMHNDARSSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 60-910
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.434 min
+MS$FOCUSED_ION: BASE_PEAK 875.4672
+MS$FOCUSED_ION: PRECURSOR_M/Z 875.4673
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 82495426
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-000x-0900000000-5bb7dc7de6c890604469
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  82.0158 CN5- 1 82.0159 -1.45
+  95.0237 C2HN5- 1 95.0237 -0.36
+  98.0109 CN5O- 1 98.0108 0.67
+  99.0185 CHN5O- 1 99.0187 -1.98
+  109.0392 C3H3N5- 1 109.0394 -1.93
+  111.0188 C2HN5O- 1 111.0187 1.58
+  112.0264 C2H2N5O- 1 112.0265 -0.43
+  115.0863 C3H9N5- 1 115.0863 -0.44
+  124.0264 C3H2N5O- 1 124.0265 -0.83
+  124.0628 C4H6N5- 1 124.0629 -0.77
+  125.0344 C3H3N5O- 1 125.0343 0.42
+  125.0708 C4H7N5- 1 125.0707 0.47
+  126.0914 C5H10N4- 1 126.0911 2.15
+  130.086 C4H10N4O- 1 130.086 0.11
+  131.0364 C6H3N4- 1 131.0363 0.35
+  141.0655 C4H7N5O- 1 141.0656 -0.96
+  143.1177 C5H13N5- 1 143.1176 0.39
+  144.0442 C7H4N4- 1 144.0441 0.3
+  145.0651 C8H7N3- 1 145.0645 3.59
+  146.0598 C7H6N4- 1 146.0598 0.19
+  152.0817 C5H8N6- 1 152.0816 0.75
+  153.0656 C5H7N5O- 1 153.0656 -0.38
+  155.0814 C5H9N5O- 1 155.0813 1.18
+  167.0812 C6H9N5O- 1 167.0813 -0.53
+  169.0969 C6H11N5O- 1 169.0969 -0.08
+  170.092 C5H10N6O- 1 170.0922 -0.74
+  172.0392 C8H4N4O- 1 172.0391 0.63
+  181.1331 C8H15N5- 1 181.1333 -0.86
+  183.1488 C8H17N5- 1 183.1489 -0.63
+  189.0653 C8H7N5O- 1 189.0656 -1.58
+  192.0761 C7H8N6O- 2 192.0765 -2.05
+  211.1429 C9H17N5O- 3 211.1439 -4.37
+  225.1098 C8H13N6O2- 2 225.1105 -3.16
+  227.1167 C11H17NO4- 2 227.1163 1.68
+  242.1855 C10H22N6O- 2 242.1861 -2.36
+  252.1336 C10H16N6O2- 2 252.134 -1.7
+PK$NUM_PEAK: 36
+PK$PEAK: m/z int. rel.int.
+  82.0158 42288.9 38
+  95.0237 45816.9 41
+  98.0109 108725.4 98
+  99.0185 106160.5 96
+  109.0392 29811.2 27
+  111.0188 115563.7 104
+  112.0264 416345.7 377
+  115.0863 193611.5 175
+  124.0264 36322 32
+  124.0628 23943.8 21
+  125.0344 47459 43
+  125.0708 156415.4 141
+  126.0914 111566 101
+  130.086 246203.8 223
+  131.0364 1102283.2 999
+  141.0655 44593.7 40
+  143.1177 472741.8 428
+  144.0442 1053741.8 955
+  145.0651 21383.6 19
+  146.0598 114915 104
+  152.0817 26213.4 23
+  153.0656 36742.7 33
+  155.0814 103331.2 93
+  167.0812 32691.4 29
+  169.0969 180421.6 163
+  170.092 36728.8 33
+  172.0392 100879.8 91
+  181.1331 65797.5 59
+  183.1488 68177.7 61
+  189.0653 54293.8 49
+  192.0761 49554.1 44
+  211.1429 72009.2 65
+  225.1098 47797.9 43
+  227.1167 34284.1 31
+  242.1855 104621 94
+  252.1336 31408.1 28
+//
diff --git a/Eawag/MSBNK-MLU-ED070259.txt b/Eawag/MSBNK-MLU-ED070259.txt
new file mode 100644
index 0000000000..925c790dea
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED070259.txt
@@ -0,0 +1,84 @@
+ACCESSION: MSBNK-MLU-ED070259
+RECORD_TITLE: Brunsvicamide C; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Mueller [dtc], G. M. Koenig  [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 702
+CH$NAME: Brunsvicamide C
+CH$NAME: (((3S,6R,9S,12S,15S)-3-benzyl-6-(2-(2-formamidophenyl)-2-oxoethyl)-9-isobutyl-12-isopropyl-7-methyl-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentaazacyclononadecan-15-yl)carbamoyl)-D-isoleucine
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C45H64N8O10
+CH$EXACT_MASS: 876.4745402
+CH$SMILES: CC[C@H]([C@H](C(O)=O)NC(N[C@@H]1C(N[C@H](C(N[C@H](C(N([C@@H](C(N[C@H](C(NCCCC1)=O)CC2=CC=CC=C2)=O)CC(C3=C(NC([H])=O)C=CC=C3)=O)C)=O)CC(C)C)=O)C(C)C)=O)=O)C
+CH$IUPAC: InChI=1S/C45H64N8O10/c1-8-28(6)38(44(61)62)52-45(63)50-32-20-14-15-21-46-39(56)33(23-29-16-10-9-11-17-29)48-41(58)35(24-36(55)30-18-12-13-19-31(30)47-25-54)53(7)43(60)34(22-26(2)3)49-42(59)37(27(4)5)51-40(32)57/h9-13,16-19,25-28,32-35,37-38H,8,14-15,20-24H2,1-7H3,(H,46,56)(H,47,54)(H,48,58)(H,49,59)(H,51,57)(H,61,62)(H2,50,52,63)/t28-,32+,33+,34+,35-,37+,38-/m1/s1
+CH$LINK: PUBCHEM CID:146682035
+CH$LINK: INCHIKEY HQMATMGVGJKSPD-MMHNDARSSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 60-910
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.434 min
+MS$FOCUSED_ION: BASE_PEAK 875.4672
+MS$FOCUSED_ION: PRECURSOR_M/Z 875.4673
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 82495426
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-000x-0900000000-09cb09bab525962a48b0
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  82.016 CN5- 1 82.0159 1.16
+  95.024 C2HN5- 1 95.0237 2.37
+  98.0107 CN5O- 1 98.0108 -1.51
+  99.0186 CHN5O- 1 99.0187 -0.67
+  109.0394 C3H3N5- 1 109.0394 0.45
+  111.0188 C2HN5O- 1 111.0187 1.03
+  112.0265 C2H2N5O- 1 112.0265 -0.22
+  115.0865 C3H9N5- 1 115.0863 1.61
+  124.0268 C3H2N5O- 1 124.0265 2.86
+  125.0346 C3H3N5O- 1 125.0343 2.43
+  125.0711 C4H7N5- 1 125.0707 3.64
+  126.0913 C5H10N4- 1 126.0911 1.24
+  130.086 C4H10N4O- 1 130.086 -0.12
+  131.0365 C6H3N4- 1 131.0363 1.17
+  141.0656 C4H7N5O- 1 141.0656 0.12
+  143.1176 C5H13N5- 1 143.1176 -0.15
+  144.0443 C7H4N4- 1 144.0441 1.36
+  146.0599 C7H6N4- 1 146.0598 0.5
+  169.097 C6H11N5O- 1 169.0969 0.28
+  172.0387 C8H4N4O- 1 172.0391 -1.86
+  181.1331 C8H15N5- 1 181.1333 -1.03
+PK$NUM_PEAK: 21
+PK$PEAK: m/z int. rel.int.
+  82.016 51064.1 58
+  95.024 53100.6 60
+  98.0107 100142.5 114
+  99.0186 59225 67
+  109.0394 48181.5 55
+  111.0188 127650.8 146
+  112.0265 342499.5 392
+  115.0865 65574 75
+  124.0268 34142.9 39
+  125.0346 40778.7 46
+  125.0711 91886.1 105
+  126.0913 96433.6 110
+  130.086 92931.7 106
+  131.0365 787647 903
+  141.0656 28077.6 32
+  143.1176 187756.4 215
+  144.0443 871040.6 999
+  146.0599 62447.3 71
+  169.097 57943.8 66
+  172.0387 47085.8 54
+  181.1331 26519.2 30
+//
diff --git a/Eawag/MSBNK-MLU-ED071301.txt b/Eawag/MSBNK-MLU-ED071301.txt
new file mode 100644
index 0000000000..f3fa678420
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED071301.txt
@@ -0,0 +1,56 @@
+ACCESSION: MSBNK-MLU-ED071301
+RECORD_TITLE: Oscillamide Y; LC-ESI-QFT; MS2; CE: 15%; R=17500; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Enke [dtc], H. Enke [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 713
+CH$NAME: Oscillamide Y
+CH$NAME: (((3S,12S,15R)-3-benzyl-12-((R)-sec-butyl)-9-(4-hydroxyphenethyl)-6,7-dimethyl-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentaazacyclononadecan-15-yl)carbamoyl)-L-tyrosine
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C45H59N7O10
+CH$EXACT_MASS: 857.4323411
+CH$SMILES: CC[C@@H](C)[C@@H]1NC(=O)[C@@H](CCCCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)N(C)C(=O)[C@H](CCc3ccc(O)cc3)NC1=O)NC(=O)N[C@@H](Cc4ccc(O)cc4)C(O)=O
+CH$IUPAC: InChI=1S/C45H59N7O10/c1-5-27(2)38-42(58)47-35(23-18-29-14-19-32(53)20-15-29)43(59)52(4)28(3)39(55)48-36(25-30-11-7-6-8-12-30)40(56)46-24-10-9-13-34(41(57)51-38)49-45(62)50-37(44(60)61)26-31-16-21-33(54)22-17-31/h6-8,11-12,14-17,19-22,27-28,34-38,53-54H,5,9-10,13,18,23-26H2,1-4H3,(H,46,56)(H,47,58)(H,48,55)(H,51,57)(H,60,61)(H2,49,50,62)/t27-,28+,34-,35+,36+,37+,38+/m1/s1
+CH$LINK: PUBCHEM CID:155802150
+CH$LINK: INCHIKEY KCAKUFQSCADGHZ-JNFDXLRCSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 59-895
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.536 min
+MS$FOCUSED_ION: BASE_PEAK 858.4407
+MS$FOCUSED_ION: PRECURSOR_M/Z 858.4396
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 10332183.5
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0a4i-0000001090-7ba5208be5b79ee44d91
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  84.0808 C5H10N+ 1 84.0808 0.37
+  568.2772 C29H38N5O7+ 5 568.2766 1.12
+  677.3663 C36H49N6O7+ 5 677.3657 0.91
+  681.3616 C37H51N3O9+ 5 681.362 -0.5
+  830.445 C44H60N7O9+ 1 830.4447 0.3
+  840.4289 C45H58N7O9+ 1 840.4291 -0.19
+  858.4398 C45H60N7O10+ 1 858.4396 0.23
+PK$NUM_PEAK: 7
+PK$PEAK: m/z int. rel.int.
+  84.0808 125684 33
+  568.2772 103257.1 27
+  677.3663 409466.4 110
+  681.3616 184292.9 49
+  830.445 187423.7 50
+  840.4289 155453.4 41
+  858.4398 3705972 999
+//
diff --git a/Eawag/MSBNK-MLU-ED071302.txt b/Eawag/MSBNK-MLU-ED071302.txt
new file mode 100644
index 0000000000..af8c80ef00
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED071302.txt
@@ -0,0 +1,88 @@
+ACCESSION: MSBNK-MLU-ED071302
+RECORD_TITLE: Oscillamide Y; LC-ESI-QFT; MS2; CE: 20%; R=17500; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Enke [dtc], H. Enke [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 713
+CH$NAME: Oscillamide Y
+CH$NAME: (((3S,12S,15R)-3-benzyl-12-((R)-sec-butyl)-9-(4-hydroxyphenethyl)-6,7-dimethyl-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentaazacyclononadecan-15-yl)carbamoyl)-L-tyrosine
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C45H59N7O10
+CH$EXACT_MASS: 857.4323411
+CH$SMILES: CC[C@@H](C)[C@@H]1NC(=O)[C@@H](CCCCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)N(C)C(=O)[C@H](CCc3ccc(O)cc3)NC1=O)NC(=O)N[C@@H](Cc4ccc(O)cc4)C(O)=O
+CH$IUPAC: InChI=1S/C45H59N7O10/c1-5-27(2)38-42(58)47-35(23-18-29-14-19-32(53)20-15-29)43(59)52(4)28(3)39(55)48-36(25-30-11-7-6-8-12-30)40(56)46-24-10-9-13-34(41(57)51-38)49-45(62)50-37(44(60)61)26-31-16-21-33(54)22-17-31/h6-8,11-12,14-17,19-22,27-28,34-38,53-54H,5,9-10,13,18,23-26H2,1-4H3,(H,46,56)(H,47,58)(H,48,55)(H,51,57)(H,60,61)(H2,49,50,62)/t27-,28+,34-,35+,36+,37+,38+/m1/s1
+CH$LINK: PUBCHEM CID:155802150
+CH$LINK: INCHIKEY KCAKUFQSCADGHZ-JNFDXLRCSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 59-895
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.536 min
+MS$FOCUSED_ION: BASE_PEAK 858.4407
+MS$FOCUSED_ION: PRECURSOR_M/Z 858.4396
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 10332183.5
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-001i-6131129060-297fd52a0e61184f2296
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  84.0809 C5H10N+ 1 84.0808 0.91
+  86.06 C4H8NO+ 1 86.06 -0.82
+  114.0551 C5H8NO2+ 1 114.055 1.03
+  231.1492 C14H19N2O+ 2 231.1492 0.1
+  233.1286 C13H17N2O2+ 1 233.1285 0.78
+  249.1233 C13H17N2O3+ 1 249.1234 -0.19
+  263.1391 C14H19N2O3+ 2 263.139 0.49
+  316.2024 C18H26N3O2+ 3 316.202 1.28
+  376.2236 C20H30N3O4+ 4 376.2231 1.42
+  379.2338 C19H31N4O4+ 4 379.234 -0.37
+  405.2137 C20H29N4O5+ 4 405.2132 1.03
+  417.2509 C24H35NO5+ 3 417.251 -0.28
+  445.2455 C25H35NO6+ 3 445.2459 -0.78
+  493.2838 C30H39NO5+ 4 493.2823 3.14
+  523.2923 C32H37N5O2+ 5 523.2942 -3.54
+  568.2766 C29H38N5O7+ 6 568.2766 0.04
+  649.371 C35H49N6O6+ 6 649.3708 0.26
+  651.387 C35H51N6O6+ 6 651.3865 0.87
+  681.361 C35H49N6O8+ 4 681.3606 0.48
+  695.3771 C38H53N3O9+ 5 695.3776 -0.79
+  830.4454 C44H60N7O9+ 1 830.4447 0.89
+  840.4308 C45H58N7O9+ 1 840.4291 2.14
+  858.4398 C45H60N7O10+ 1 858.4396 0.16
+PK$NUM_PEAK: 23
+PK$PEAK: m/z int. rel.int.
+  84.0809 1018219.8 999
+  86.06 22974.8 22
+  114.0551 174698.1 171
+  231.1492 112412.4 110
+  233.1286 102898.3 100
+  249.1233 48682.4 47
+  263.1391 344249.9 337
+  316.2024 73699.8 72
+  376.2236 164478.8 161
+  379.2338 64364.6 63
+  405.2137 121691.9 119
+  417.2509 13186.5 12
+  445.2455 30554.9 29
+  493.2838 23339.2 22
+  523.2923 62738 61
+  568.2766 298595.4 292
+  649.371 274580.2 269
+  651.387 522386 512
+  681.361 641382.8 629
+  695.3771 86615 84
+  830.4454 277289.9 272
+  840.4308 103843.2 101
+  858.4398 783541 768
+//
diff --git a/Eawag/MSBNK-MLU-ED071303.txt b/Eawag/MSBNK-MLU-ED071303.txt
new file mode 100644
index 0000000000..60446d1cc8
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED071303.txt
@@ -0,0 +1,106 @@
+ACCESSION: MSBNK-MLU-ED071303
+RECORD_TITLE: Oscillamide Y; LC-ESI-QFT; MS2; CE: 25%; R=17500; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Enke [dtc], H. Enke [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 713
+CH$NAME: Oscillamide Y
+CH$NAME: (((3S,12S,15R)-3-benzyl-12-((R)-sec-butyl)-9-(4-hydroxyphenethyl)-6,7-dimethyl-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentaazacyclononadecan-15-yl)carbamoyl)-L-tyrosine
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C45H59N7O10
+CH$EXACT_MASS: 857.4323411
+CH$SMILES: CC[C@@H](C)[C@@H]1NC(=O)[C@@H](CCCCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)N(C)C(=O)[C@H](CCc3ccc(O)cc3)NC1=O)NC(=O)N[C@@H](Cc4ccc(O)cc4)C(O)=O
+CH$IUPAC: InChI=1S/C45H59N7O10/c1-5-27(2)38-42(58)47-35(23-18-29-14-19-32(53)20-15-29)43(59)52(4)28(3)39(55)48-36(25-30-11-7-6-8-12-30)40(56)46-24-10-9-13-34(41(57)51-38)49-45(62)50-37(44(60)61)26-31-16-21-33(54)22-17-31/h6-8,11-12,14-17,19-22,27-28,34-38,53-54H,5,9-10,13,18,23-26H2,1-4H3,(H,46,56)(H,47,58)(H,48,55)(H,51,57)(H,60,61)(H2,49,50,62)/t27-,28+,34-,35+,36+,37+,38+/m1/s1
+CH$LINK: PUBCHEM CID:155802150
+CH$LINK: INCHIKEY KCAKUFQSCADGHZ-JNFDXLRCSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 59-895
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.536 min
+MS$FOCUSED_ION: BASE_PEAK 858.4407
+MS$FOCUSED_ION: PRECURSOR_M/Z 858.4396
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 10332183.5
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-001i-9241224000-3461958a29cd1bc39deb
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  84.0809 C5H10N+ 1 84.0808 1.09
+  86.06 C4H8NO+ 1 86.06 -0.02
+  114.055 C5H8NO2+ 1 114.055 0.36
+  120.0812 C8H10N+ 1 120.0808 3.62
+  129.1023 C6H13N2O+ 1 129.1022 0.79
+  205.1338 C12H17N2O+ 1 205.1335 1.34
+  231.1493 C14H19N2O+ 2 231.1492 0.37
+  233.1286 C13H17N2O2+ 1 233.1285 0.46
+  249.1235 C13H17N2O3+ 1 249.1234 0.49
+  263.1392 C14H19N2O3+ 2 263.139 0.83
+  275.1031 H17N7O10+ 3 275.1031 0.01
+  291.1701 C16H23N2O3+ 3 291.1703 -0.92
+  316.2028 C18H26N3O2+ 3 316.202 2.82
+  353.2194 C19H31NO5+ 3 353.2197 -0.84
+  376.2235 C20H30N3O4+ 4 376.2231 1.1
+  379.2342 C19H31N4O4+ 4 379.234 0.59
+  405.2133 C20H29N4O5+ 4 405.2132 0.12
+  410.2073 C23H28N3O4+ 4 410.2074 -0.22
+  417.2499 C22H33N4O4+ 4 417.2496 0.74
+  445.2459 C25H35NO6+ 3 445.2459 0.04
+  446.312 C24H40N5O3+ 4 446.3126 -1.25
+  472.2922 C25H38N5O4+ 4 472.2918 0.8
+  502.3031 C26H40N5O5+ 4 502.3024 1.31
+  523.2964 C32H37N5O2+ 5 523.2942 4.16
+  540.2824 C30H40N2O7+ 5 540.283 -1.03
+  564.3187 C33H44N2O6+ 4 564.3194 -1.2
+  568.276 C43H36O+ 5 568.2761 -0.14
+  649.3713 C35H49N6O6+ 6 649.3708 0.82
+  651.3871 C35H51N6O6+ 5 651.3865 0.97
+  677.3655 C36H49N6O7+ 5 677.3657 -0.35
+  681.3613 C37H51N3O9+ 5 681.362 -0.95
+  695.3771 C38H53N3O9+ 5 695.3776 -0.7
+PK$NUM_PEAK: 32
+PK$PEAK: m/z int. rel.int.
+  84.0809 2153549.2 999
+  86.06 114768.7 53
+  114.055 565796.3 262
+  120.0812 22577.8 10
+  129.1023 43356.2 20
+  205.1338 56670.4 26
+  231.1493 241903 112
+  233.1286 243980.5 113
+  249.1235 90079.1 41
+  263.1392 347702.6 161
+  275.1031 27136 12
+  291.1701 60346.9 27
+  316.2028 79898 37
+  353.2194 30520.4 14
+  376.2235 252133 116
+  379.2342 61403.9 28
+  405.2133 265809.7 123
+  410.2073 29252.2 13
+  417.2499 84342.3 39
+  445.2459 34767.2 16
+  446.312 36545.4 16
+  472.2922 62112.5 28
+  502.3031 31424.2 14
+  523.2964 25208 11
+  540.2824 224130.8 103
+  564.3187 130104.9 60
+  568.276 309747.5 143
+  649.3713 360469.5 167
+  651.3871 216001.2 100
+  677.3655 115311.1 53
+  681.3613 363168.8 168
+  695.3771 71734.8 33
+//
diff --git a/Eawag/MSBNK-MLU-ED071304.txt b/Eawag/MSBNK-MLU-ED071304.txt
new file mode 100644
index 0000000000..00d89d9053
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED071304.txt
@@ -0,0 +1,96 @@
+ACCESSION: MSBNK-MLU-ED071304
+RECORD_TITLE: Oscillamide Y; LC-ESI-QFT; MS2; CE: 30%; R=17500; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Enke [dtc], H. Enke [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 713
+CH$NAME: Oscillamide Y
+CH$NAME: (((3S,12S,15R)-3-benzyl-12-((R)-sec-butyl)-9-(4-hydroxyphenethyl)-6,7-dimethyl-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentaazacyclononadecan-15-yl)carbamoyl)-L-tyrosine
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C45H59N7O10
+CH$EXACT_MASS: 857.4323411
+CH$SMILES: CC[C@@H](C)[C@@H]1NC(=O)[C@@H](CCCCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)N(C)C(=O)[C@H](CCc3ccc(O)cc3)NC1=O)NC(=O)N[C@@H](Cc4ccc(O)cc4)C(O)=O
+CH$IUPAC: InChI=1S/C45H59N7O10/c1-5-27(2)38-42(58)47-35(23-18-29-14-19-32(53)20-15-29)43(59)52(4)28(3)39(55)48-36(25-30-11-7-6-8-12-30)40(56)46-24-10-9-13-34(41(57)51-38)49-45(62)50-37(44(60)61)26-31-16-21-33(54)22-17-31/h6-8,11-12,14-17,19-22,27-28,34-38,53-54H,5,9-10,13,18,23-26H2,1-4H3,(H,46,56)(H,47,58)(H,48,55)(H,51,57)(H,60,61)(H2,49,50,62)/t27-,28+,34-,35+,36+,37+,38+/m1/s1
+CH$LINK: PUBCHEM CID:155802150
+CH$LINK: INCHIKEY KCAKUFQSCADGHZ-JNFDXLRCSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 59-895
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.536 min
+MS$FOCUSED_ION: BASE_PEAK 858.4407
+MS$FOCUSED_ION: PRECURSOR_M/Z 858.4396
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 10332183.5
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-001i-9331210000-ae0d19eb232288e6aacb
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  84.0808 C5H10N+ 1 84.0808 0.64
+  86.0601 C4H8NO+ 1 86.06 0.42
+  114.055 C5H8NO2+ 1 114.055 0.29
+  120.0803 C8H10N+ 1 120.0808 -4.2
+  129.1022 C6H13N2O+ 1 129.1022 -0.63
+  169.134 C9H17N2O+ 1 169.1335 2.96
+  205.1336 C12H17N2O+ 1 205.1335 0.37
+  231.1493 C14H19N2O+ 2 231.1492 0.5
+  233.1286 C13H17N2O2+ 1 233.1285 0.78
+  240.1701 C12H22N3O2+ 2 240.1707 -2.35
+  249.1232 C13H17N2O3+ 2 249.1234 -0.8
+  263.1388 C14H19N2O3+ 3 263.139 -0.67
+  268.1655 C13H22N3O3+ 2 268.1656 -0.37
+  275.103 H17N7O10+ 3 275.1031 -0.55
+  316.2011 C18H26N3O2+ 2 316.202 -2.68
+  320.1606 C16H22N3O4+ 4 320.1605 0.23
+  376.2233 C20H30N3O4+ 4 376.2231 0.61
+  379.2334 C19H31N4O4+ 3 379.234 -1.66
+  405.2134 C20H29N4O5+ 4 405.2132 0.42
+  417.2501 C22H33N4O4+ 4 417.2496 1.03
+  455.2267 C24H31N4O5+ 5 455.2289 -4.86
+  472.2923 C25H38N5O4+ 4 472.2918 0.93
+  502.3018 C26H40N5O5+ 4 502.3024 -1.12
+  564.3186 C33H44N2O6+ 4 564.3194 -1.41
+  568.2759 C43H36O+ 5 568.2761 -0.35
+  649.3709 C35H49N6O6+ 6 649.3708 0.07
+  651.3868 C35H51N6O6+ 6 651.3865 0.59
+PK$NUM_PEAK: 27
+PK$PEAK: m/z int. rel.int.
+  84.0808 2304071.2 999
+  86.0601 211185.5 91
+  114.055 669075.4 290
+  120.0803 46423.9 20
+  129.1022 99263.4 43
+  169.134 23981.7 10
+  205.1336 124644.3 54
+  231.1493 202646.4 87
+  233.1286 225077.4 97
+  240.1701 53302 23
+  249.1232 71901.6 31
+  263.1388 141138.4 61
+  268.1655 25456.6 11
+  275.103 26799.3 11
+  316.2011 26311.1 11
+  320.1606 99509.7 43
+  376.2233 143055.6 62
+  379.2334 58971.3 25
+  405.2134 325648.8 141
+  417.2501 99724.1 43
+  455.2267 58816.4 25
+  472.2923 85252.1 36
+  502.3018 42122.4 18
+  564.3186 154577.7 67
+  568.2759 88181 38
+  649.3709 98834 42
+  651.3868 26114.6 11
+//
diff --git a/Eawag/MSBNK-MLU-ED071305.txt b/Eawag/MSBNK-MLU-ED071305.txt
new file mode 100644
index 0000000000..8cc018ba9b
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED071305.txt
@@ -0,0 +1,84 @@
+ACCESSION: MSBNK-MLU-ED071305
+RECORD_TITLE: Oscillamide Y; LC-ESI-QFT; MS2; CE: 40%; R=17500; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Enke [dtc], H. Enke [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 713
+CH$NAME: Oscillamide Y
+CH$NAME: (((3S,12S,15R)-3-benzyl-12-((R)-sec-butyl)-9-(4-hydroxyphenethyl)-6,7-dimethyl-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentaazacyclononadecan-15-yl)carbamoyl)-L-tyrosine
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C45H59N7O10
+CH$EXACT_MASS: 857.4323411
+CH$SMILES: CC[C@@H](C)[C@@H]1NC(=O)[C@@H](CCCCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)N(C)C(=O)[C@H](CCc3ccc(O)cc3)NC1=O)NC(=O)N[C@@H](Cc4ccc(O)cc4)C(O)=O
+CH$IUPAC: InChI=1S/C45H59N7O10/c1-5-27(2)38-42(58)47-35(23-18-29-14-19-32(53)20-15-29)43(59)52(4)28(3)39(55)48-36(25-30-11-7-6-8-12-30)40(56)46-24-10-9-13-34(41(57)51-38)49-45(62)50-37(44(60)61)26-31-16-21-33(54)22-17-31/h6-8,11-12,14-17,19-22,27-28,34-38,53-54H,5,9-10,13,18,23-26H2,1-4H3,(H,46,56)(H,47,58)(H,48,55)(H,51,57)(H,60,61)(H2,49,50,62)/t27-,28+,34-,35+,36+,37+,38+/m1/s1
+CH$LINK: PUBCHEM CID:155802150
+CH$LINK: INCHIKEY KCAKUFQSCADGHZ-JNFDXLRCSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 59-895
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.536 min
+MS$FOCUSED_ION: BASE_PEAK 858.4407
+MS$FOCUSED_ION: PRECURSOR_M/Z 858.4396
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 10332183.5
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-001i-9311000000-70c2a0640674f77dc927
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  84.0808 C5H10N+ 1 84.0808 0.64
+  86.0601 C4H8NO+ 1 86.06 0.42
+  86.0964 C5H12N+ 1 86.0964 -0.12
+  107.049 C7H7O+ 1 107.0491 -1.45
+  114.055 C5H8NO2+ 1 114.055 0.43
+  120.0808 C8H10N+ 1 120.0808 -0.07
+  126.1277 C8H16N+ 1 126.1277 0
+  129.1023 C6H13N2O+ 1 129.1022 0.2
+  136.0757 C8H10NO+ 1 136.0757 -0.19
+  155.0813 C7H11N2O2+ 1 155.0815 -1.58
+  169.1334 C9H17N2O+ 1 169.1335 -0.92
+  188.1434 C13H18N+ 1 188.1434 0.08
+  190.1229 C12H16NO+ 1 190.1226 1.23
+  205.1336 C12H17N2O+ 1 205.1335 0.44
+  231.1492 C14H19N2O+ 2 231.1492 -0.03
+  233.1286 C13H17N2O2+ 1 233.1285 0.59
+  266.1854 C14H24N3O2+ 2 266.1863 -3.31
+  320.1605 C16H22N3O4+ 4 320.1605 -0.06
+  387.2389 C21H31N4O3+ 4 387.2391 -0.34
+  405.2134 C20H29N4O5+ 4 405.2132 0.27
+  417.2508 C24H35NO5+ 3 417.251 -0.43
+PK$NUM_PEAK: 21
+PK$PEAK: m/z int. rel.int.
+  84.0808 2931777.5 999
+  86.0601 537325.6 183
+  86.0964 127581.3 43
+  107.049 90118.8 30
+  114.055 604783.1 206
+  120.0808 353599.2 120
+  126.1277 40349.1 13
+  129.1023 228698 77
+  136.0757 99633.4 33
+  155.0813 45262.8 15
+  169.1334 31355.3 10
+  188.1434 50161.7 17
+  190.1229 35419.7 12
+  205.1336 241976.8 82
+  231.1492 169524.9 57
+  233.1286 118582.2 40
+  266.1854 31979.1 10
+  320.1605 287250.8 97
+  387.2389 171020 58
+  405.2134 126110.3 42
+  417.2508 61339 20
+//
diff --git a/Eawag/MSBNK-MLU-ED071351.txt b/Eawag/MSBNK-MLU-ED071351.txt
new file mode 100644
index 0000000000..7fd585a83d
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED071351.txt
@@ -0,0 +1,50 @@
+ACCESSION: MSBNK-MLU-ED071351
+RECORD_TITLE: Oscillamide Y; LC-ESI-QFT; MS2; CE: 15%; R=17500; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Enke [dtc], H. Enke [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 713
+CH$NAME: Oscillamide Y
+CH$NAME: (((3S,12S,15R)-3-benzyl-12-((R)-sec-butyl)-9-(4-hydroxyphenethyl)-6,7-dimethyl-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentaazacyclononadecan-15-yl)carbamoyl)-L-tyrosine
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C45H59N7O10
+CH$EXACT_MASS: 857.4323411
+CH$SMILES: CC[C@@H](C)[C@@H]1NC(=O)[C@@H](CCCCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)N(C)C(=O)[C@H](CCc3ccc(O)cc3)NC1=O)NC(=O)N[C@@H](Cc4ccc(O)cc4)C(O)=O
+CH$IUPAC: InChI=1S/C45H59N7O10/c1-5-27(2)38-42(58)47-35(23-18-29-14-19-32(53)20-15-29)43(59)52(4)28(3)39(55)48-36(25-30-11-7-6-8-12-30)40(56)46-24-10-9-13-34(41(57)51-38)49-45(62)50-37(44(60)61)26-31-16-21-33(54)22-17-31/h6-8,11-12,14-17,19-22,27-28,34-38,53-54H,5,9-10,13,18,23-26H2,1-4H3,(H,46,56)(H,47,58)(H,48,55)(H,51,57)(H,60,61)(H2,49,50,62)/t27-,28+,34-,35+,36+,37+,38+/m1/s1
+CH$LINK: PUBCHEM CID:155802150
+CH$LINK: INCHIKEY KCAKUFQSCADGHZ-JNFDXLRCSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 59-890
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.559 min
+MS$FOCUSED_ION: BASE_PEAK 856.4257
+MS$FOCUSED_ION: PRECURSOR_M/Z 856.4251
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 3680786.35
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-004i-0000009020-7b1e47e726f22b2b2757
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  180.0664 C9H10NO3- 1 180.0666 -1.21
+  675.3515 C36H47N6O7- 5 675.3512 0.51
+  676.3566 C45H46N3O3- 3 676.3545 3.12
+  838.4145 C45H56N7O9- 1 838.4145 -0.05
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  180.0664 9606.9 20
+  675.3515 477204.2 999
+  676.3566 23285 48
+  838.4145 159294.5 333
+//
diff --git a/Eawag/MSBNK-MLU-ED071352.txt b/Eawag/MSBNK-MLU-ED071352.txt
new file mode 100644
index 0000000000..059246accf
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED071352.txt
@@ -0,0 +1,52 @@
+ACCESSION: MSBNK-MLU-ED071352
+RECORD_TITLE: Oscillamide Y; LC-ESI-QFT; MS2; CE: 20%; R=17500; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Enke [dtc], H. Enke [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 713
+CH$NAME: Oscillamide Y
+CH$NAME: (((3S,12S,15R)-3-benzyl-12-((R)-sec-butyl)-9-(4-hydroxyphenethyl)-6,7-dimethyl-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentaazacyclononadecan-15-yl)carbamoyl)-L-tyrosine
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C45H59N7O10
+CH$EXACT_MASS: 857.4323411
+CH$SMILES: CC[C@@H](C)[C@@H]1NC(=O)[C@@H](CCCCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)N(C)C(=O)[C@H](CCc3ccc(O)cc3)NC1=O)NC(=O)N[C@@H](Cc4ccc(O)cc4)C(O)=O
+CH$IUPAC: InChI=1S/C45H59N7O10/c1-5-27(2)38-42(58)47-35(23-18-29-14-19-32(53)20-15-29)43(59)52(4)28(3)39(55)48-36(25-30-11-7-6-8-12-30)40(56)46-24-10-9-13-34(41(57)51-38)49-45(62)50-37(44(60)61)26-31-16-21-33(54)22-17-31/h6-8,11-12,14-17,19-22,27-28,34-38,53-54H,5,9-10,13,18,23-26H2,1-4H3,(H,46,56)(H,47,58)(H,48,55)(H,51,57)(H,60,61)(H2,49,50,62)/t27-,28+,34-,35+,36+,37+,38+/m1/s1
+CH$LINK: PUBCHEM CID:155802150
+CH$LINK: INCHIKEY KCAKUFQSCADGHZ-JNFDXLRCSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 59-890
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.559 min
+MS$FOCUSED_ION: BASE_PEAK 856.4257
+MS$FOCUSED_ION: PRECURSOR_M/Z 856.4251
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 3680786.35
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-004i-0000009010-b07893ef1158b2736896
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  93.1605 CH21N2O2- 1 93.1609 -3.66
+  180.066 C9H10NO3- 2 180.0666 -3.42
+  402.2137 C19H32NO8- 3 402.2133 0.79
+  675.3509 C36H47N6O7- 5 675.3512 -0.4
+  838.4146 C45H56N7O9- 1 838.4145 0.09
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  93.1605 8997.9 14
+  180.066 43327.9 70
+  402.2137 11456 18
+  675.3509 616675.3 999
+  838.4146 121693 197
+//
diff --git a/Eawag/MSBNK-MLU-ED071353.txt b/Eawag/MSBNK-MLU-ED071353.txt
new file mode 100644
index 0000000000..49be896948
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED071353.txt
@@ -0,0 +1,58 @@
+ACCESSION: MSBNK-MLU-ED071353
+RECORD_TITLE: Oscillamide Y; LC-ESI-QFT; MS2; CE: 25%; R=17500; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Enke [dtc], H. Enke [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 713
+CH$NAME: Oscillamide Y
+CH$NAME: (((3S,12S,15R)-3-benzyl-12-((R)-sec-butyl)-9-(4-hydroxyphenethyl)-6,7-dimethyl-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentaazacyclononadecan-15-yl)carbamoyl)-L-tyrosine
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C45H59N7O10
+CH$EXACT_MASS: 857.4323411
+CH$SMILES: CC[C@@H](C)[C@@H]1NC(=O)[C@@H](CCCCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)N(C)C(=O)[C@H](CCc3ccc(O)cc3)NC1=O)NC(=O)N[C@@H](Cc4ccc(O)cc4)C(O)=O
+CH$IUPAC: InChI=1S/C45H59N7O10/c1-5-27(2)38-42(58)47-35(23-18-29-14-19-32(53)20-15-29)43(59)52(4)28(3)39(55)48-36(25-30-11-7-6-8-12-30)40(56)46-24-10-9-13-34(41(57)51-38)49-45(62)50-37(44(60)61)26-31-16-21-33(54)22-17-31/h6-8,11-12,14-17,19-22,27-28,34-38,53-54H,5,9-10,13,18,23-26H2,1-4H3,(H,46,56)(H,47,58)(H,48,55)(H,51,57)(H,60,61)(H2,49,50,62)/t27-,28+,34-,35+,36+,37+,38+/m1/s1
+CH$LINK: PUBCHEM CID:155802150
+CH$LINK: INCHIKEY KCAKUFQSCADGHZ-JNFDXLRCSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 59-890
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.559 min
+MS$FOCUSED_ION: BASE_PEAK 856.4257
+MS$FOCUSED_ION: PRECURSOR_M/Z 856.4251
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 3680786.35
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-004i-0100109100-0378a547d81246cc2689
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  180.0664 C9H10NO3- 1 180.0666 -0.96
+  402.2141 C20H28N5O4- 3 402.2147 -1.55
+  443.2286 C23H31N4O5- 4 443.23 -3.19
+  631.3576 C34H51N2O9- 5 631.36 -3.81
+  675.3512 C36H47N6O7- 5 675.3512 0.05
+  676.3543 C45H46N3O3- 4 676.3545 -0.31
+  732.3724 C38H50N7O8- 3 732.3726 -0.36
+  838.416 C45H56N7O9- 1 838.4145 1.84
+PK$NUM_PEAK: 8
+PK$PEAK: m/z int. rel.int.
+  180.0664 52773.9 125
+  402.2141 53257.9 126
+  443.2286 5641.3 13
+  631.3576 6457.5 15
+  675.3512 420990.9 999
+  676.3543 23915.1 56
+  732.3724 72834.3 172
+  838.416 36213.5 85
+//
diff --git a/Eawag/MSBNK-MLU-ED071354.txt b/Eawag/MSBNK-MLU-ED071354.txt
new file mode 100644
index 0000000000..8ee3bdd480
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED071354.txt
@@ -0,0 +1,64 @@
+ACCESSION: MSBNK-MLU-ED071354
+RECORD_TITLE: Oscillamide Y; LC-ESI-QFT; MS2; CE: 30%; R=17500; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Enke [dtc], H. Enke [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 713
+CH$NAME: Oscillamide Y
+CH$NAME: (((3S,12S,15R)-3-benzyl-12-((R)-sec-butyl)-9-(4-hydroxyphenethyl)-6,7-dimethyl-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentaazacyclononadecan-15-yl)carbamoyl)-L-tyrosine
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C45H59N7O10
+CH$EXACT_MASS: 857.4323411
+CH$SMILES: CC[C@@H](C)[C@@H]1NC(=O)[C@@H](CCCCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)N(C)C(=O)[C@H](CCc3ccc(O)cc3)NC1=O)NC(=O)N[C@@H](Cc4ccc(O)cc4)C(O)=O
+CH$IUPAC: InChI=1S/C45H59N7O10/c1-5-27(2)38-42(58)47-35(23-18-29-14-19-32(53)20-15-29)43(59)52(4)28(3)39(55)48-36(25-30-11-7-6-8-12-30)40(56)46-24-10-9-13-34(41(57)51-38)49-45(62)50-37(44(60)61)26-31-16-21-33(54)22-17-31/h6-8,11-12,14-17,19-22,27-28,34-38,53-54H,5,9-10,13,18,23-26H2,1-4H3,(H,46,56)(H,47,58)(H,48,55)(H,51,57)(H,60,61)(H2,49,50,62)/t27-,28+,34-,35+,36+,37+,38+/m1/s1
+CH$LINK: PUBCHEM CID:155802150
+CH$LINK: INCHIKEY KCAKUFQSCADGHZ-JNFDXLRCSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 59-890
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.559 min
+MS$FOCUSED_ION: BASE_PEAK 856.4257
+MS$FOCUSED_ION: PRECURSOR_M/Z 856.4251
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 3680786.35
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0fc0-0400409200-7f36696a86a31572e89c
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  93.0332 C4H3N3- 1 93.0332 -0.09
+  119.0489 C6H5N3- 1 119.0489 -0.17
+  180.0664 C9H10NO3- 1 180.0666 -1.3
+  189.0668 C10H9N2O2- 1 189.067 -1.03
+  261.1247 C14H17N2O3- 2 261.1245 0.8
+  300.1353 C16H18N3O3- 3 300.1354 -0.38
+  402.2145 C20H28N5O4- 3 402.2147 -0.41
+  631.363 C34H51N2O9- 6 631.36 4.8
+  675.3512 C36H47N6O7- 5 675.3512 0.05
+  676.3528 C45H46N3O3- 4 676.3545 -2.47
+  732.3752 C42H54NO10- 5 732.3753 -0.2
+PK$NUM_PEAK: 11
+PK$PEAK: m/z int. rel.int.
+  93.0332 6428.4 39
+  119.0489 10601.8 64
+  180.0664 74675.4 456
+  189.0668 5452.6 33
+  261.1247 5086.9 31
+  300.1353 10726.7 65
+  402.2145 98224.8 600
+  631.363 7158.3 43
+  675.3512 163453.7 999
+  676.3528 6502.1 39
+  732.3752 43307.1 264
+//
diff --git a/Eawag/MSBNK-MLU-ED076001.txt b/Eawag/MSBNK-MLU-ED076001.txt
new file mode 100644
index 0000000000..485ee712d3
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED076001.txt
@@ -0,0 +1,65 @@
+ACCESSION: MSBNK-MLU-ED076001
+RECORD_TITLE: Anabaenopeptin A; LC-ESI-QFT; MS2; CE: 15%; R=17500; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Enke [dtc], H. Enke [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 760
+CH$NAME: Anabaenopeptin A
+CH$NAME: (2S)-2-[[(3S,6S,9S,12S,15R)-3-benzyl-9-[2-(4-hydroxyphenyl)ethyl]-6,7-dimethyl-2,5,8,11,14-pentaoxo-12-propan-2-yl-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C44H57N7O10
+CH$EXACT_MASS: 843.416691
+CH$SMILES: C[C@H]1C(N[C@@H](CC2=CC=CC=C2)C(NCCCC[C@@H](NC(N[C@H](C(O)=O)CC3=CC=C(O)C=C3)=O)C(N[C@@H](C(C)C)C(N[C@@H](CCC4=CC=C(O)C=C4)C(N1C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C44H57N7O10/c1-26(2)37-41(57)46-34(22-17-28-13-18-31(52)19-14-28)42(58)51(4)27(3)38(54)47-35(24-29-10-6-5-7-11-29)39(55)45-23-9-8-12-33(40(56)50-37)48-44(61)49-36(43(59)60)25-30-15-20-32(53)21-16-30/h5-7,10-11,13-16,18-21,26-27,33-37,52-53H,8-9,12,17,22-25H2,1-4H3,(H,45,55)(H,46,57)(H,47,54)(H,50,56)(H,59,60)(H2,48,49,61)/t27-,33+,34-,35-,36-,37-/m0/s1
+CH$LINK: PUBCHEM CID:10418092
+CH$LINK: INCHIKEY JWVKNHDSRADFFA-IFWSNWNESA-N
+CH$LINK: CHEMSPIDER 8593524
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 58-880
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.345 min
+MS$FOCUSED_ION: BASE_PEAK 844.4237
+MS$FOCUSED_ION: PRECURSOR_M/Z 844.424
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 35387717.74
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0006-0000002090-9248c000a06fb96ed32b
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  84.0807 C5H10N+ 1 84.0808 -0.54
+  263.1388 C14H19N2O3+ 3 263.139 -1.02
+  509.2775 C30H39NO6+ 4 509.2772 0.58
+  568.2756 C43H36O+ 5 568.2761 -0.78
+  637.3707 C34H49N6O6+ 6 637.3708 -0.22
+  649.3362 C36H47N3O8+ 5 649.3358 0.74
+  663.3496 C35H47N6O7+ 5 663.3501 -0.78
+  667.3443 C34H47N6O8+ 3 667.345 -1.02
+  816.4285 C43H58N7O9+ 1 816.4291 -0.64
+  826.4122 C44H56N7O9+ 1 826.4134 -1.41
+  844.4233 C44H58N7O10+ 1 844.424 -0.74
+PK$NUM_PEAK: 11
+PK$PEAK: m/z int. rel.int.
+  84.0807 409937.4 31
+  263.1388 289064.9 22
+  509.2775 130029.8 10
+  568.2756 343337.1 26
+  637.3707 1505062.4 117
+  649.3362 193846.6 15
+  663.3496 1425229.5 111
+  667.3443 625524.6 48
+  816.4285 671079.4 52
+  826.4122 547715.4 42
+  844.4233 12806165 999
+//
diff --git a/Eawag/MSBNK-MLU-ED076002.txt b/Eawag/MSBNK-MLU-ED076002.txt
new file mode 100644
index 0000000000..4276d27e55
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED076002.txt
@@ -0,0 +1,101 @@
+ACCESSION: MSBNK-MLU-ED076002
+RECORD_TITLE: Anabaenopeptin A; LC-ESI-QFT; MS2; CE: 20%; R=17500; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Enke [dtc], H. Enke [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 760
+CH$NAME: Anabaenopeptin A
+CH$NAME: (2S)-2-[[(3S,6S,9S,12S,15R)-3-benzyl-9-[2-(4-hydroxyphenyl)ethyl]-6,7-dimethyl-2,5,8,11,14-pentaoxo-12-propan-2-yl-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C44H57N7O10
+CH$EXACT_MASS: 843.416691
+CH$SMILES: C[C@H]1C(N[C@@H](CC2=CC=CC=C2)C(NCCCC[C@@H](NC(N[C@H](C(O)=O)CC3=CC=C(O)C=C3)=O)C(N[C@@H](C(C)C)C(N[C@@H](CCC4=CC=C(O)C=C4)C(N1C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C44H57N7O10/c1-26(2)37-41(57)46-34(22-17-28-13-18-31(52)19-14-28)42(58)51(4)27(3)38(54)47-35(24-29-10-6-5-7-11-29)39(55)45-23-9-8-12-33(40(56)50-37)48-44(61)49-36(43(59)60)25-30-15-20-32(53)21-16-30/h5-7,10-11,13-16,18-21,26-27,33-37,52-53H,8-9,12,17,22-25H2,1-4H3,(H,45,55)(H,46,57)(H,47,54)(H,50,56)(H,59,60)(H2,48,49,61)/t27-,33+,34-,35-,36-,37-/m0/s1
+CH$LINK: PUBCHEM CID:10418092
+CH$LINK: INCHIKEY JWVKNHDSRADFFA-IFWSNWNESA-N
+CH$LINK: CHEMSPIDER 8593524
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 58-880
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.345 min
+MS$FOCUSED_ION: BASE_PEAK 844.4237
+MS$FOCUSED_ION: PRECURSOR_M/Z 844.424
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 35387717.74
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03yu-4021019050-400c915d584d257e8c74
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  84.0808 C5H10N+ 1 84.0808 -0.27
+  86.0597 C4H8NO+ 1 86.06 -3.66
+  114.0548 C5H8NO2+ 1 114.055 -1.11
+  231.1491 C14H19N2O+ 2 231.1492 -0.49
+  233.1284 C13H17N2O2+ 1 233.1285 -0.4
+  249.1232 C13H17N2O3+ 2 249.1234 -0.55
+  263.1389 C14H19N2O3+ 3 263.139 -0.44
+  316.2021 C18H26N3O2+ 3 316.202 0.5
+  362.2074 C19H28N3O4+ 4 362.2074 -0.05
+  379.234 C19H31N4O4+ 4 379.234 0.11
+  403.2343 C21H31N4O4+ 4 403.234 0.7
+  435.2235 C21H31N4O6+ 4 435.2238 -0.7
+  458.2765 C24H36N5O4+ 3 458.2762 0.61
+  483.2237 C25H31N4O6+ 4 483.2238 -0.17
+  486.2709 C25H36N5O5+ 3 486.2711 -0.38
+  493.2806 C28H37N4O4+ 5 493.2809 -0.76
+  509.2766 C30H39NO6+ 5 509.2772 -1.22
+  522.2711 C28H36N5O5+ 3 522.2711 -0.02
+  540.2818 C28H38N5O6+ 5 540.2817 0.33
+  582.2922 C30H40N5O7+ 6 582.2922 0.01
+  621.3388 C32H49N2O10+ 5 621.3382 1.02
+  635.355 C34H47N6O6+ 6 635.3552 -0.28
+  637.3705 C34H49N6O6+ 6 637.3708 -0.41
+  649.3355 C36H47N3O8+ 5 649.3358 -0.39
+  663.3498 C35H47N6O7+ 5 663.3501 -0.42
+  667.3446 C34H47N6O8+ 5 667.345 -0.57
+  816.4285 C43H58N7O9+ 1 816.4291 -0.71
+  826.4119 C44H56N7O9+ 1 826.4134 -1.78
+  844.4233 C44H58N7O10+ 1 844.424 -0.81
+PK$NUM_PEAK: 29
+PK$PEAK: m/z int. rel.int.
+  84.0808 3186040 999
+  86.0597 83567.7 26
+  114.0548 568184.2 178
+  231.1491 313790.4 98
+  233.1284 326429.8 102
+  249.1232 129515.8 40
+  263.1389 1138431.4 356
+  316.2021 283388.1 88
+  362.2074 608936.2 190
+  379.234 256031.9 80
+  403.2343 36684.8 11
+  435.2235 83478 26
+  458.2765 34726.1 10
+  483.2237 86583.4 27
+  486.2709 303397.6 95
+  493.2806 76436.9 23
+  509.2766 216555.7 67
+  522.2711 101020.6 31
+  540.2818 491633.8 154
+  582.2922 125135.9 39
+  621.3388 72529 22
+  635.355 941225.3 295
+  637.3705 1937940 607
+  649.3355 182090.1 57
+  663.3498 1824889.4 572
+  667.3446 2108578.2 661
+  816.4285 917303.6 287
+  826.4119 330116.3 103
+  844.4233 2978771 934
+//
diff --git a/Eawag/MSBNK-MLU-ED076003.txt b/Eawag/MSBNK-MLU-ED076003.txt
new file mode 100644
index 0000000000..6ad36ebfa5
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED076003.txt
@@ -0,0 +1,115 @@
+ACCESSION: MSBNK-MLU-ED076003
+RECORD_TITLE: Anabaenopeptin A; LC-ESI-QFT; MS2; CE: 25%; R=17500; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Enke [dtc], H. Enke [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 760
+CH$NAME: Anabaenopeptin A
+CH$NAME: (2S)-2-[[(3S,6S,9S,12S,15R)-3-benzyl-9-[2-(4-hydroxyphenyl)ethyl]-6,7-dimethyl-2,5,8,11,14-pentaoxo-12-propan-2-yl-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C44H57N7O10
+CH$EXACT_MASS: 843.416691
+CH$SMILES: C[C@H]1C(N[C@@H](CC2=CC=CC=C2)C(NCCCC[C@@H](NC(N[C@H](C(O)=O)CC3=CC=C(O)C=C3)=O)C(N[C@@H](C(C)C)C(N[C@@H](CCC4=CC=C(O)C=C4)C(N1C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C44H57N7O10/c1-26(2)37-41(57)46-34(22-17-28-13-18-31(52)19-14-28)42(58)51(4)27(3)38(54)47-35(24-29-10-6-5-7-11-29)39(55)45-23-9-8-12-33(40(56)50-37)48-44(61)49-36(43(59)60)25-30-15-20-32(53)21-16-30/h5-7,10-11,13-16,18-21,26-27,33-37,52-53H,8-9,12,17,22-25H2,1-4H3,(H,45,55)(H,46,57)(H,47,54)(H,50,56)(H,59,60)(H2,48,49,61)/t27-,33+,34-,35-,36-,37-/m0/s1
+CH$LINK: PUBCHEM CID:10418092
+CH$LINK: INCHIKEY JWVKNHDSRADFFA-IFWSNWNESA-N
+CH$LINK: CHEMSPIDER 8593524
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 58-880
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.345 min
+MS$FOCUSED_ION: BASE_PEAK 844.4237
+MS$FOCUSED_ION: PRECURSOR_M/Z 844.424
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 35387717.74
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-01q9-9242224000-427ae8553c5c78dac2e7
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  84.0808 C5H10N+ 1 84.0808 0.19
+  86.06 C4H8NO+ 1 86.06 -0.29
+  114.0549 C5H8NO2+ 1 114.055 -0.51
+  129.1019 C6H13N2O+ 1 129.1022 -2.52
+  150.0911 C9H12NO+ 1 150.0913 -1.82
+  205.1335 C12H17N2O+ 1 205.1335 -0.08
+  231.1491 C14H19N2O+ 2 231.1492 -0.36
+  233.1284 C13H17N2O2+ 1 233.1285 -0.33
+  249.1232 C13H17N2O3+ 2 249.1234 -0.49
+  249.16 C14H21N2O2+ 2 249.1598 0.82
+  263.139 C14H19N2O3+ 3 263.139 -0.21
+  277.1542 C15H21N2O3+ 3 277.1547 -1.56
+  316.2026 C18H26N3O2+ 3 316.202 2.05
+  320.161 C16H22N3O4+ 3 320.1605 1.75
+  362.2073 C19H28N3O4+ 4 362.2074 -0.47
+  373.2236 C20H29N4O3+ 5 373.2234 0.46
+  379.234 C19H31N4O4+ 4 379.234 0.11
+  405.212 C19H33O9+ 4 405.2119 0.26
+  432.2968 C23H38N5O3+ 4 432.2969 -0.31
+  435.224 C21H31N4O6+ 4 435.2238 0.43
+  455.2296 C24H31N4O5+ 5 455.2289 1.44
+  483.2233 C25H31N4O6+ 5 483.2238 -1.12
+  486.271 C25H36N5O5+ 3 486.2711 -0.19
+  488.2874 C25H38N5O5+ 4 488.2867 1.32
+  522.2714 C28H36N5O5+ 4 522.2711 0.68
+  540.282 C28H38N5O6+ 5 540.2817 0.55
+  550.307 C33H38N6O2+ 5 550.3051 3.47
+  568.2762 C43H36O+ 5 568.2761 0.29
+  582.2941 C30H40N5O7+ 5 582.2922 3.26
+  621.338 C32H49N2O10+ 6 621.3382 -0.35
+  635.3549 C34H47N6O6+ 6 635.3552 -0.37
+  637.3705 C34H49N6O6+ 6 637.3708 -0.51
+  663.3502 C35H47N6O7+ 5 663.3501 0.23
+  667.3449 C34H47N6O8+ 5 667.345 -0.11
+  816.4277 C43H58N7O9+ 1 816.4291 -1.61
+  844.423 C44H58N7O10+ 1 844.424 -1.18
+PK$NUM_PEAK: 36
+PK$PEAK: m/z int. rel.int.
+  84.0808 5761937 999
+  86.06 339985.2 58
+  114.0549 1564248 271
+  129.1019 96867.3 16
+  150.0911 62190.3 10
+  205.1335 173028.4 29
+  231.1491 585266.9 101
+  233.1284 583967.6 101
+  249.1232 233818.8 40
+  249.16 75197.7 13
+  263.139 1053927.8 182
+  277.1542 123758.3 21
+  316.2026 187917.5 32
+  320.161 112416 19
+  362.2073 811425.1 140
+  373.2236 78145.2 13
+  379.234 186391.3 32
+  405.212 700014.9 121
+  432.2968 94487.6 16
+  435.224 149056.8 25
+  455.2296 113786.3 19
+  483.2233 174985.6 30
+  486.271 407229.1 70
+  488.2874 104291.4 18
+  522.2714 81505.9 14
+  540.282 578404.8 100
+  550.307 328276.9 56
+  568.2762 702933.2 121
+  582.2941 102334.5 17
+  621.338 104724 18
+  635.3549 1079962.2 187
+  637.3705 586930.4 101
+  663.3502 361716.4 62
+  667.3449 1097115.1 190
+  816.4277 163326.3 28
+  844.423 97206.4 16
+//
diff --git a/Eawag/MSBNK-MLU-ED076004.txt b/Eawag/MSBNK-MLU-ED076004.txt
new file mode 100644
index 0000000000..661596d077
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED076004.txt
@@ -0,0 +1,117 @@
+ACCESSION: MSBNK-MLU-ED076004
+RECORD_TITLE: Anabaenopeptin A; LC-ESI-QFT; MS2; CE: 30%; R=17500; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Enke [dtc], H. Enke [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 760
+CH$NAME: Anabaenopeptin A
+CH$NAME: (2S)-2-[[(3S,6S,9S,12S,15R)-3-benzyl-9-[2-(4-hydroxyphenyl)ethyl]-6,7-dimethyl-2,5,8,11,14-pentaoxo-12-propan-2-yl-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C44H57N7O10
+CH$EXACT_MASS: 843.416691
+CH$SMILES: C[C@H]1C(N[C@@H](CC2=CC=CC=C2)C(NCCCC[C@@H](NC(N[C@H](C(O)=O)CC3=CC=C(O)C=C3)=O)C(N[C@@H](C(C)C)C(N[C@@H](CCC4=CC=C(O)C=C4)C(N1C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C44H57N7O10/c1-26(2)37-41(57)46-34(22-17-28-13-18-31(52)19-14-28)42(58)51(4)27(3)38(54)47-35(24-29-10-6-5-7-11-29)39(55)45-23-9-8-12-33(40(56)50-37)48-44(61)49-36(43(59)60)25-30-15-20-32(53)21-16-30/h5-7,10-11,13-16,18-21,26-27,33-37,52-53H,8-9,12,17,22-25H2,1-4H3,(H,45,55)(H,46,57)(H,47,54)(H,50,56)(H,59,60)(H2,48,49,61)/t27-,33+,34-,35-,36-,37-/m0/s1
+CH$LINK: PUBCHEM CID:10418092
+CH$LINK: INCHIKEY JWVKNHDSRADFFA-IFWSNWNESA-N
+CH$LINK: CHEMSPIDER 8593524
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 58-880
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.345 min
+MS$FOCUSED_ION: BASE_PEAK 844.4237
+MS$FOCUSED_ION: PRECURSOR_M/Z 844.424
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 35387717.74
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-001i-9331210000-84a2b8ac569b88094d0d
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  84.0808 C5H10N+ 1 84.0808 -0.18
+  86.06 C4H8NO+ 1 86.06 -0.82
+  114.0549 C5H8NO2+ 1 114.055 -0.51
+  120.0804 C8H10N+ 1 120.0808 -2.8
+  129.1021 C6H13N2O+ 1 129.1022 -0.86
+  150.0909 C9H12NO+ 1 150.0913 -3.14
+  169.1336 C9H17N2O+ 1 169.1335 0.52
+  190.1225 C12H16NO+ 1 190.1226 -0.78
+  205.1335 C12H17N2O+ 1 205.1335 -0.37
+  226.1549 C11H20N3O2+ 1 226.155 -0.45
+  231.149 C14H19N2O+ 2 231.1492 -0.62
+  233.1284 C13H17N2O2+ 1 233.1285 -0.26
+  249.1228 C13H17N2O3+ 2 249.1234 -2.39
+  249.1592 C14H21N2O2+ 3 249.1598 -2.12
+  254.1495 C12H20N3O3+ 2 254.1499 -1.79
+  263.1389 C14H19N2O3+ 3 263.139 -0.56
+  272.1603 C12H22N3O4+ 2 272.1605 -0.69
+  277.1544 C15H21N2O3+ 3 277.1547 -1.01
+  297.1913 C14H25N4O3+ 3 297.1921 -2.74
+  320.1603 C16H22N3O4+ 4 320.1605 -0.53
+  362.2074 C19H28N3O4+ 4 362.2074 -0.05
+  373.2232 C20H29N4O3+ 4 373.2234 -0.61
+  379.2343 C19H31N4O4+ 4 379.234 0.92
+  403.2341 C21H31N4O4+ 4 403.234 0.24
+  405.2121 C19H33O9+ 4 405.2119 0.49
+  432.2964 C23H38N5O3+ 4 432.2969 -1.23
+  435.2243 C21H31N4O6+ 4 435.2238 1.06
+  455.2286 C24H31N4O5+ 4 455.2289 -0.64
+  458.276 C24H36N5O4+ 3 458.2762 -0.32
+  483.2236 C25H31N4O6+ 4 483.2238 -0.42
+  488.2863 C25H38N5O5+ 4 488.2867 -0.99
+  536.2854 C28H42NO9+ 4 536.2854 0.05
+  540.2814 C28H38N5O6+ 5 540.2817 -0.47
+  550.3027 C33H38N6O2+ 4 550.3051 -4.29
+  568.2762 C43H36O+ 5 568.2761 0.29
+  635.3547 C34H47N6O6+ 6 635.3552 -0.66
+  667.3453 C34H47N6O8+ 4 667.345 0.53
+PK$NUM_PEAK: 37
+PK$PEAK: m/z int. rel.int.
+  84.0808 7334533 999
+  86.06 667179 90
+  114.0549 2209544.5 300
+  120.0804 184349.3 25
+  129.1021 263473.6 35
+  150.0909 140926.6 19
+  169.1336 87381.8 11
+  190.1225 116327.4 15
+  205.1335 394079.8 53
+  226.1549 170839 23
+  231.149 650659.4 88
+  233.1284 652512.1 88
+  249.1228 231139.1 31
+  249.1592 206641.9 28
+  254.1495 100816.2 13
+  263.1389 532523.7 72
+  272.1603 93021.4 12
+  277.1544 187947.6 25
+  297.1913 86742.8 11
+  320.1603 314928.1 42
+  362.2074 535853.1 72
+  373.2232 301366.2 41
+  379.2343 138353.3 18
+  403.2341 367903.7 50
+  405.2121 915302.7 124
+  432.2964 124575.8 16
+  435.2243 117176.3 15
+  455.2286 154955.8 21
+  458.276 244806 33
+  483.2236 155511.9 21
+  488.2863 127668.2 17
+  536.2854 85467.8 11
+  540.2814 448989.3 61
+  550.3027 541002.4 73
+  568.2762 249093.1 33
+  635.3547 343025.8 46
+  667.3453 167014.1 22
+//
diff --git a/Eawag/MSBNK-MLU-ED076005.txt b/Eawag/MSBNK-MLU-ED076005.txt
new file mode 100644
index 0000000000..1610215a3e
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED076005.txt
@@ -0,0 +1,99 @@
+ACCESSION: MSBNK-MLU-ED076005
+RECORD_TITLE: Anabaenopeptin A; LC-ESI-QFT; MS2; CE: 40%; R=17500; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Enke [dtc], H. Enke [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 760
+CH$NAME: Anabaenopeptin A
+CH$NAME: (2S)-2-[[(3S,6S,9S,12S,15R)-3-benzyl-9-[2-(4-hydroxyphenyl)ethyl]-6,7-dimethyl-2,5,8,11,14-pentaoxo-12-propan-2-yl-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C44H57N7O10
+CH$EXACT_MASS: 843.416691
+CH$SMILES: C[C@H]1C(N[C@@H](CC2=CC=CC=C2)C(NCCCC[C@@H](NC(N[C@H](C(O)=O)CC3=CC=C(O)C=C3)=O)C(N[C@@H](C(C)C)C(N[C@@H](CCC4=CC=C(O)C=C4)C(N1C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C44H57N7O10/c1-26(2)37-41(57)46-34(22-17-28-13-18-31(52)19-14-28)42(58)51(4)27(3)38(54)47-35(24-29-10-6-5-7-11-29)39(55)45-23-9-8-12-33(40(56)50-37)48-44(61)49-36(43(59)60)25-30-15-20-32(53)21-16-30/h5-7,10-11,13-16,18-21,26-27,33-37,52-53H,8-9,12,17,22-25H2,1-4H3,(H,45,55)(H,46,57)(H,47,54)(H,50,56)(H,59,60)(H2,48,49,61)/t27-,33+,34-,35-,36-,37-/m0/s1
+CH$LINK: PUBCHEM CID:10418092
+CH$LINK: INCHIKEY JWVKNHDSRADFFA-IFWSNWNESA-N
+CH$LINK: CHEMSPIDER 8593524
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 58-880
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.345 min
+MS$FOCUSED_ION: BASE_PEAK 844.4237
+MS$FOCUSED_ION: PRECURSOR_M/Z 844.424
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 35387717.74
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-001i-9421000000-10dd89d11da13f141331
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  72.0808 C4H10N+ 1 72.0808 0.17
+  84.0808 C5H10N+ 1 84.0808 0.19
+  86.06 C4H8NO+ 1 86.06 -0.2
+  107.049 C7H7O+ 1 107.0491 -1.59
+  112.1121 C7H14N+ 1 112.1121 0.05
+  114.0549 C5H8NO2+ 1 114.055 -0.24
+  120.0807 C8H10N+ 1 120.0808 -0.77
+  129.1022 C6H13N2O+ 1 129.1022 -0.39
+  136.0756 C8H10NO+ 1 136.0757 -0.86
+  150.0913 C9H12NO+ 1 150.0913 -0.6
+  155.0813 C7H11N2O2+ 1 155.0815 -1.29
+  169.1335 C9H17N2O+ 1 169.1335 -0.38
+  173.0919 C7H13N2O3+ 1 173.0921 -1
+  174.1276 C12H16N+ 1 174.1277 -0.78
+  176.1066 C11H14NO+ 1 176.107 -2.21
+  190.1224 C12H16NO+ 1 190.1226 -1.5
+  205.1336 C12H17N2O+ 1 205.1335 0.22
+  226.1549 C11H20N3O2+ 1 226.155 -0.58
+  231.1492 C14H19N2O+ 2 231.1492 -0.03
+  233.1285 C13H17N2O2+ 1 233.1285 0.19
+  249.1598 C14H21N2O2+ 2 249.1598 0.02
+  254.1497 C12H20N3O3+ 2 254.1499 -0.71
+  272.1603 C12H22N3O4+ 2 272.1605 -0.69
+  297.1923 C14H25N4O3+ 2 297.1921 0.75
+  320.1604 C16H22N3O4+ 4 320.1605 -0.15
+  373.2233 C20H29N4O3+ 4 373.2234 -0.36
+  403.2341 C21H31N4O4+ 4 403.234 0.39
+  455.2293 C24H31N4O5+ 4 455.2289 0.84
+PK$NUM_PEAK: 28
+PK$PEAK: m/z int. rel.int.
+  72.0808 242333 29
+  84.0808 8161335 999
+  86.06 1528565 187
+  107.049 281852.1 34
+  112.1121 94903.5 11
+  114.0549 1784890.8 218
+  120.0807 973639.1 119
+  129.1022 617932.8 75
+  136.0756 279407.7 34
+  150.0913 470634 57
+  155.0813 105963.2 12
+  169.1335 84196.2 10
+  173.0919 178094.5 21
+  174.1276 144731.3 17
+  176.1066 96057.8 11
+  190.1224 163844.3 20
+  205.1336 544854.6 66
+  226.1549 644591.2 78
+  231.1492 523928.9 64
+  233.1285 319862.2 39
+  249.1598 331135.6 40
+  254.1497 145956.3 17
+  272.1603 119300.3 14
+  297.1923 239120.5 29
+  320.1604 768952.6 94
+  373.2233 552197.1 67
+  403.2341 191976.8 23
+  455.2293 100507.6 12
+//
diff --git a/Eawag/MSBNK-MLU-ED076006.txt b/Eawag/MSBNK-MLU-ED076006.txt
new file mode 100644
index 0000000000..c886ea0d15
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED076006.txt
@@ -0,0 +1,89 @@
+ACCESSION: MSBNK-MLU-ED076006
+RECORD_TITLE: Anabaenopeptin A; LC-ESI-QFT; MS2; CE: 50%; R=17500; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Enke [dtc], H. Enke [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 760
+CH$NAME: Anabaenopeptin A
+CH$NAME: (2S)-2-[[(3S,6S,9S,12S,15R)-3-benzyl-9-[2-(4-hydroxyphenyl)ethyl]-6,7-dimethyl-2,5,8,11,14-pentaoxo-12-propan-2-yl-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C44H57N7O10
+CH$EXACT_MASS: 843.416691
+CH$SMILES: C[C@H]1C(N[C@@H](CC2=CC=CC=C2)C(NCCCC[C@@H](NC(N[C@H](C(O)=O)CC3=CC=C(O)C=C3)=O)C(N[C@@H](C(C)C)C(N[C@@H](CCC4=CC=C(O)C=C4)C(N1C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C44H57N7O10/c1-26(2)37-41(57)46-34(22-17-28-13-18-31(52)19-14-28)42(58)51(4)27(3)38(54)47-35(24-29-10-6-5-7-11-29)39(55)45-23-9-8-12-33(40(56)50-37)48-44(61)49-36(43(59)60)25-30-15-20-32(53)21-16-30/h5-7,10-11,13-16,18-21,26-27,33-37,52-53H,8-9,12,17,22-25H2,1-4H3,(H,45,55)(H,46,57)(H,47,54)(H,50,56)(H,59,60)(H2,48,49,61)/t27-,33+,34-,35-,36-,37-/m0/s1
+CH$LINK: PUBCHEM CID:10418092
+CH$LINK: INCHIKEY JWVKNHDSRADFFA-IFWSNWNESA-N
+CH$LINK: CHEMSPIDER 8593524
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 58-880
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.345 min
+MS$FOCUSED_ION: BASE_PEAK 844.4237
+MS$FOCUSED_ION: PRECURSOR_M/Z 844.424
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 35387717.74
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-001i-9510000000-5516f8352cb8b0349cf7
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  72.0808 C4H10N+ 1 72.0808 1.02
+  84.0808 C5H10N+ 1 84.0808 0.19
+  86.06 C4H8NO+ 1 86.06 -0.29
+  107.0491 C7H7O+ 1 107.0491 -0.09
+  112.1121 C7H14N+ 1 112.1121 0.26
+  114.0549 C5H8NO2+ 1 114.055 -0.24
+  120.0807 C8H10N+ 1 120.0808 -0.45
+  129.1022 C6H13N2O+ 1 129.1022 -0.51
+  136.0756 C8H10NO+ 1 136.0757 -0.97
+  146.0965 C10H12N+ 1 146.0964 0.68
+  150.0911 C9H12NO+ 1 150.0913 -1.31
+  155.0812 C7H11N2O2+ 1 155.0815 -1.68
+  173.092 C7H13N2O3+ 1 173.0921 -0.47
+  174.1276 C12H16N+ 1 174.1277 -0.61
+  176.1069 C11H14NO+ 1 176.107 -0.74
+  190.1225 C12H16NO+ 1 190.1226 -0.62
+  205.1338 C12H17N2O+ 1 205.1335 1.04
+  209.1284 C11H17N2O2+ 1 209.1285 -0.13
+  226.1549 C11H20N3O2+ 1 226.155 -0.65
+  231.149 C14H19N2O+ 3 231.1492 -0.82
+  249.1595 C14H21N2O2+ 3 249.1598 -1.2
+  320.1605 C16H22N3O4+ 4 320.1605 -0.06
+  373.224 C20H29N4O3+ 3 373.2234 1.44
+PK$NUM_PEAK: 23
+PK$PEAK: m/z int. rel.int.
+  72.0808 537486.1 63
+  84.0808 8508565 999
+  86.06 2026366.8 237
+  107.0491 756915.1 88
+  112.1121 115840.3 13
+  114.0549 831996.2 97
+  120.0807 2319632 272
+  129.1022 685983.1 80
+  136.0756 412807.4 48
+  146.0965 107571.3 12
+  150.0911 591391.1 69
+  155.0812 170760.5 20
+  173.092 285711.1 33
+  174.1276 277296 32
+  176.1069 118479.8 13
+  190.1225 141254.6 16
+  205.1338 237626.5 27
+  209.1284 130063.1 15
+  226.1549 744727.4 87
+  231.149 202995.2 23
+  249.1595 88014.2 10
+  320.1605 317356.5 37
+  373.224 106521.7 12
+//
diff --git a/Eawag/MSBNK-MLU-ED076007.txt b/Eawag/MSBNK-MLU-ED076007.txt
new file mode 100644
index 0000000000..072ab80d28
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED076007.txt
@@ -0,0 +1,81 @@
+ACCESSION: MSBNK-MLU-ED076007
+RECORD_TITLE: Anabaenopeptin A; LC-ESI-QFT; MS2; CE: 60%; R=17500; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Enke [dtc], H. Enke [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 760
+CH$NAME: Anabaenopeptin A
+CH$NAME: (2S)-2-[[(3S,6S,9S,12S,15R)-3-benzyl-9-[2-(4-hydroxyphenyl)ethyl]-6,7-dimethyl-2,5,8,11,14-pentaoxo-12-propan-2-yl-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C44H57N7O10
+CH$EXACT_MASS: 843.416691
+CH$SMILES: C[C@H]1C(N[C@@H](CC2=CC=CC=C2)C(NCCCC[C@@H](NC(N[C@H](C(O)=O)CC3=CC=C(O)C=C3)=O)C(N[C@@H](C(C)C)C(N[C@@H](CCC4=CC=C(O)C=C4)C(N1C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C44H57N7O10/c1-26(2)37-41(57)46-34(22-17-28-13-18-31(52)19-14-28)42(58)51(4)27(3)38(54)47-35(24-29-10-6-5-7-11-29)39(55)45-23-9-8-12-33(40(56)50-37)48-44(61)49-36(43(59)60)25-30-15-20-32(53)21-16-30/h5-7,10-11,13-16,18-21,26-27,33-37,52-53H,8-9,12,17,22-25H2,1-4H3,(H,45,55)(H,46,57)(H,47,54)(H,50,56)(H,59,60)(H2,48,49,61)/t27-,33+,34-,35-,36-,37-/m0/s1
+CH$LINK: PUBCHEM CID:10418092
+CH$LINK: INCHIKEY JWVKNHDSRADFFA-IFWSNWNESA-N
+CH$LINK: CHEMSPIDER 8593524
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 58-880
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.345 min
+MS$FOCUSED_ION: BASE_PEAK 844.4237
+MS$FOCUSED_ION: PRECURSOR_M/Z 844.424
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 35387717.74
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-001i-9500000000-d00ab0bb24afd1c4aa39
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  72.0808 C4H10N+ 1 72.0808 1.02
+  82.065 C5H8N+ 1 82.0651 -1.52
+  84.0808 C5H10N+ 1 84.0808 0.1
+  86.06 C4H8NO+ 1 86.06 -0.29
+  91.0541 C7H7+ 1 91.0542 -1.26
+  103.0541 C8H7+ 1 103.0542 -1.14
+  105.0699 C8H9+ 1 105.0699 0.12
+  107.0491 C7H7O+ 1 107.0491 -0.16
+  114.055 C5H8NO2+ 1 114.055 -0.04
+  120.0807 C8H10N+ 1 120.0808 -0.32
+  127.0866 C6H11N2O+ 1 127.0866 0.23
+  129.1021 C6H13N2O+ 1 129.1022 -0.75
+  136.0756 C8H10NO+ 1 136.0757 -0.52
+  140.0706 C7H10NO2+ 1 140.0706 -0.19
+  150.0912 C9H12NO+ 1 150.0913 -1.01
+  155.0814 C7H11N2O2+ 1 155.0815 -0.99
+  173.0921 C7H13N2O3+ 1 173.0921 0.32
+  174.1276 C12H16N+ 1 174.1277 -0.78
+  226.1548 C11H20N3O2+ 1 226.155 -0.92
+PK$NUM_PEAK: 19
+PK$PEAK: m/z int. rel.int.
+  72.0808 663538.2 65
+  82.065 102418.8 10
+  84.0808 10114470 999
+  86.06 2303681 227
+  91.0541 157616.8 15
+  103.0541 146301 14
+  105.0699 169344.3 16
+  107.0491 1330248.1 131
+  114.055 367892 36
+  120.0807 3430740.2 338
+  127.0866 119158.1 11
+  129.1021 620005.1 61
+  136.0756 588743 58
+  140.0706 128063.3 12
+  150.0912 370587.8 36
+  155.0814 305045.7 30
+  173.0921 222249.4 21
+  174.1276 294562.6 29
+  226.1548 458657.1 45
+//
diff --git a/Eawag/MSBNK-MLU-ED076008.txt b/Eawag/MSBNK-MLU-ED076008.txt
new file mode 100644
index 0000000000..7b1d15d690
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED076008.txt
@@ -0,0 +1,83 @@
+ACCESSION: MSBNK-MLU-ED076008
+RECORD_TITLE: Anabaenopeptin A; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Enke [dtc], H. Enke [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 760
+CH$NAME: Anabaenopeptin A
+CH$NAME: (2S)-2-[[(3S,6S,9S,12S,15R)-3-benzyl-9-[2-(4-hydroxyphenyl)ethyl]-6,7-dimethyl-2,5,8,11,14-pentaoxo-12-propan-2-yl-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C44H57N7O10
+CH$EXACT_MASS: 843.416691
+CH$SMILES: C[C@H]1C(N[C@@H](CC2=CC=CC=C2)C(NCCCC[C@@H](NC(N[C@H](C(O)=O)CC3=CC=C(O)C=C3)=O)C(N[C@@H](C(C)C)C(N[C@@H](CCC4=CC=C(O)C=C4)C(N1C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C44H57N7O10/c1-26(2)37-41(57)46-34(22-17-28-13-18-31(52)19-14-28)42(58)51(4)27(3)38(54)47-35(24-29-10-6-5-7-11-29)39(55)45-23-9-8-12-33(40(56)50-37)48-44(61)49-36(43(59)60)25-30-15-20-32(53)21-16-30/h5-7,10-11,13-16,18-21,26-27,33-37,52-53H,8-9,12,17,22-25H2,1-4H3,(H,45,55)(H,46,57)(H,47,54)(H,50,56)(H,59,60)(H2,48,49,61)/t27-,33+,34-,35-,36-,37-/m0/s1
+CH$LINK: PUBCHEM CID:10418092
+CH$LINK: INCHIKEY JWVKNHDSRADFFA-IFWSNWNESA-N
+CH$LINK: CHEMSPIDER 8593524
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 58-880
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.345 min
+MS$FOCUSED_ION: BASE_PEAK 844.4237
+MS$FOCUSED_ION: PRECURSOR_M/Z 844.424
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 35387717.74
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-001i-9500000000-e8cb332d2f5ed348eabf
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  67.0544 C5H7+ 1 67.0542 2.06
+  72.0809 C4H10N+ 1 72.0808 1.13
+  82.0651 C5H8N+ 1 82.0651 0.24
+  84.0808 C5H10N+ 1 84.0808 0.37
+  86.06 C4H8NO+ 1 86.06 -0.11
+  91.0541 C7H7+ 1 91.0542 -0.84
+  103.0542 C8H7+ 1 103.0542 -0.1
+  105.0699 C8H9+ 1 105.0699 0.19
+  107.0491 C7H7O+ 1 107.0491 -0.02
+  110.0602 C6H8NO+ 1 110.06 1.64
+  114.0552 C5H8NO2+ 1 114.055 2.03
+  119.0491 C8H7O+ 1 119.0491 -0.13
+  120.0807 C8H10N+ 1 120.0808 -0.26
+  127.0865 C6H11N2O+ 1 127.0866 -0.43
+  129.1022 C6H13N2O+ 1 129.1022 -0.51
+  136.0756 C8H10NO+ 1 136.0757 -0.75
+  140.0705 C7H10NO2+ 1 140.0706 -0.4
+  146.0603 C9H8NO+ 1 146.06 1.48
+  155.0813 C7H11N2O2+ 1 155.0815 -1.48
+  174.1274 C12H16N+ 1 174.1277 -1.83
+PK$NUM_PEAK: 20
+PK$PEAK: m/z int. rel.int.
+  67.0544 128600.7 13
+  72.0809 651754.2 70
+  82.0651 111184.8 12
+  84.0808 9246450 999
+  86.06 1679710 181
+  91.0541 262331.9 28
+  103.0542 259891 28
+  105.0699 211771.8 22
+  107.0491 1671758.1 180
+  110.0602 134307.1 14
+  114.0552 126766.8 13
+  119.0491 134264.7 14
+  120.0807 3390514.2 366
+  127.0865 94694.4 10
+  129.1022 312709.5 33
+  136.0756 450701.3 48
+  140.0705 99276.6 10
+  146.0603 101517.8 10
+  155.0813 171110.5 18
+  174.1274 136540.2 14
+//
diff --git a/Eawag/MSBNK-MLU-ED076051.txt b/Eawag/MSBNK-MLU-ED076051.txt
new file mode 100644
index 0000000000..8f7bd3b421
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED076051.txt
@@ -0,0 +1,51 @@
+ACCESSION: MSBNK-MLU-ED076051
+RECORD_TITLE: Anabaenopeptin A; LC-ESI-QFT; MS2; CE: 15%; R=17500; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Enke [dtc], H. Enke [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 760
+CH$NAME: Anabaenopeptin A
+CH$NAME: (2S)-2-[[(3S,6S,9S,12S,15R)-3-benzyl-9-[2-(4-hydroxyphenyl)ethyl]-6,7-dimethyl-2,5,8,11,14-pentaoxo-12-propan-2-yl-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C44H57N7O10
+CH$EXACT_MASS: 843.416691
+CH$SMILES: C[C@H]1C(N[C@@H](CC2=CC=CC=C2)C(NCCCC[C@@H](NC(N[C@H](C(O)=O)CC3=CC=C(O)C=C3)=O)C(N[C@@H](C(C)C)C(N[C@@H](CCC4=CC=C(O)C=C4)C(N1C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C44H57N7O10/c1-26(2)37-41(57)46-34(22-17-28-13-18-31(52)19-14-28)42(58)51(4)27(3)38(54)47-35(24-29-10-6-5-7-11-29)39(55)45-23-9-8-12-33(40(56)50-37)48-44(61)49-36(43(59)60)25-30-15-20-32(53)21-16-30/h5-7,10-11,13-16,18-21,26-27,33-37,52-53H,8-9,12,17,22-25H2,1-4H3,(H,45,55)(H,46,57)(H,47,54)(H,50,56)(H,59,60)(H2,48,49,61)/t27-,33+,34-,35-,36-,37-/m0/s1
+CH$LINK: PUBCHEM CID:10418092
+CH$LINK: INCHIKEY JWVKNHDSRADFFA-IFWSNWNESA-N
+CH$LINK: CHEMSPIDER 8593524
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 58-875
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.367 min
+MS$FOCUSED_ION: BASE_PEAK 842.4094
+MS$FOCUSED_ION: PRECURSOR_M/Z 842.4094
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 14911652.86
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03di-0000009020-a0ed3978d009a1a46bac
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  180.0664 C9H10NO3- 1 180.0666 -1.21
+  661.3356 C35H45N6O7- 5 661.3355 0.05
+  662.3379 C42H42N6O2- 5 662.3375 0.6
+  824.3991 C44H54N7O9- 1 824.3988 0.34
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  180.0664 48077.5 23
+  661.3356 2020162 999
+  662.3379 112113.5 55
+  824.3991 624624.4 308
+//
diff --git a/Eawag/MSBNK-MLU-ED076052.txt b/Eawag/MSBNK-MLU-ED076052.txt
new file mode 100644
index 0000000000..1d9208dab3
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED076052.txt
@@ -0,0 +1,53 @@
+ACCESSION: MSBNK-MLU-ED076052
+RECORD_TITLE: Anabaenopeptin A; LC-ESI-QFT; MS2; CE: 20%; R=17500; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Enke [dtc], H. Enke [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 760
+CH$NAME: Anabaenopeptin A
+CH$NAME: (2S)-2-[[(3S,6S,9S,12S,15R)-3-benzyl-9-[2-(4-hydroxyphenyl)ethyl]-6,7-dimethyl-2,5,8,11,14-pentaoxo-12-propan-2-yl-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C44H57N7O10
+CH$EXACT_MASS: 843.416691
+CH$SMILES: C[C@H]1C(N[C@@H](CC2=CC=CC=C2)C(NCCCC[C@@H](NC(N[C@H](C(O)=O)CC3=CC=C(O)C=C3)=O)C(N[C@@H](C(C)C)C(N[C@@H](CCC4=CC=C(O)C=C4)C(N1C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C44H57N7O10/c1-26(2)37-41(57)46-34(22-17-28-13-18-31(52)19-14-28)42(58)51(4)27(3)38(54)47-35(24-29-10-6-5-7-11-29)39(55)45-23-9-8-12-33(40(56)50-37)48-44(61)49-36(43(59)60)25-30-15-20-32(53)21-16-30/h5-7,10-11,13-16,18-21,26-27,33-37,52-53H,8-9,12,17,22-25H2,1-4H3,(H,45,55)(H,46,57)(H,47,54)(H,50,56)(H,59,60)(H2,48,49,61)/t27-,33+,34-,35-,36-,37-/m0/s1
+CH$LINK: PUBCHEM CID:10418092
+CH$LINK: INCHIKEY JWVKNHDSRADFFA-IFWSNWNESA-N
+CH$LINK: CHEMSPIDER 8593524
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 58-875
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.367 min
+MS$FOCUSED_ION: BASE_PEAK 842.4094
+MS$FOCUSED_ION: PRECURSOR_M/Z 842.4094
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 14911652.86
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03di-0000009010-f6c73c079c074d31e298
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  180.0663 C9H10NO3- 1 180.0666 -1.72
+  661.3357 C35H45N6O7- 5 661.3355 0.33
+  662.3394 C44H44N3O3- 4 662.3388 0.88
+  718.3564 C37H48N7O8- 3 718.357 -0.8
+  824.3997 C44H54N7O9- 1 824.3988 1.09
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  180.0663 109570.3 53
+  661.3357 2028484.4 999
+  662.3394 99630.2 49
+  718.3564 97251.7 47
+  824.3997 362737.5 178
+//
diff --git a/Eawag/MSBNK-MLU-ED076053.txt b/Eawag/MSBNK-MLU-ED076053.txt
new file mode 100644
index 0000000000..adc4efed46
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED076053.txt
@@ -0,0 +1,57 @@
+ACCESSION: MSBNK-MLU-ED076053
+RECORD_TITLE: Anabaenopeptin A; LC-ESI-QFT; MS2; CE: 25%; R=17500; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Enke [dtc], H. Enke [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 760
+CH$NAME: Anabaenopeptin A
+CH$NAME: (2S)-2-[[(3S,6S,9S,12S,15R)-3-benzyl-9-[2-(4-hydroxyphenyl)ethyl]-6,7-dimethyl-2,5,8,11,14-pentaoxo-12-propan-2-yl-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C44H57N7O10
+CH$EXACT_MASS: 843.416691
+CH$SMILES: C[C@H]1C(N[C@@H](CC2=CC=CC=C2)C(NCCCC[C@@H](NC(N[C@H](C(O)=O)CC3=CC=C(O)C=C3)=O)C(N[C@@H](C(C)C)C(N[C@@H](CCC4=CC=C(O)C=C4)C(N1C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C44H57N7O10/c1-26(2)37-41(57)46-34(22-17-28-13-18-31(52)19-14-28)42(58)51(4)27(3)38(54)47-35(24-29-10-6-5-7-11-29)39(55)45-23-9-8-12-33(40(56)50-37)48-44(61)49-36(43(59)60)25-30-15-20-32(53)21-16-30/h5-7,10-11,13-16,18-21,26-27,33-37,52-53H,8-9,12,17,22-25H2,1-4H3,(H,45,55)(H,46,57)(H,47,54)(H,50,56)(H,59,60)(H2,48,49,61)/t27-,33+,34-,35-,36-,37-/m0/s1
+CH$LINK: PUBCHEM CID:10418092
+CH$LINK: INCHIKEY JWVKNHDSRADFFA-IFWSNWNESA-N
+CH$LINK: CHEMSPIDER 8593524
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 58-875
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.367 min
+MS$FOCUSED_ION: BASE_PEAK 842.4094
+MS$FOCUSED_ION: PRECURSOR_M/Z 842.4094
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 14911652.86
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03di-0100109100-7bffb1006cd26d1c0179
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  180.0663 C9H10NO3- 1 180.0666 -1.72
+  402.2141 C20H28N5O4- 3 402.2147 -1.47
+  617.3448 C36H47N3O6- 4 617.347 -3.59
+  618.3314 C36H46N2O7- 5 618.3311 0.54
+  661.3354 C35H45N6O7- 5 661.3355 -0.13
+  662.3395 C44H44N3O3- 3 662.3388 0.97
+  718.3571 C37H48N7O8- 3 718.357 0.14
+PK$NUM_PEAK: 7
+PK$PEAK: m/z int. rel.int.
+  180.0663 213327.2 133
+  402.2141 235132.2 146
+  617.3448 19072.8 11
+  618.3314 30320.6 18
+  661.3354 1599187.2 999
+  662.3395 70204.7 43
+  718.3571 248998 155
+//
diff --git a/Eawag/MSBNK-MLU-ED076054.txt b/Eawag/MSBNK-MLU-ED076054.txt
new file mode 100644
index 0000000000..74cf032731
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED076054.txt
@@ -0,0 +1,79 @@
+ACCESSION: MSBNK-MLU-ED076054
+RECORD_TITLE: Anabaenopeptin A; LC-ESI-QFT; MS2; CE: 30%; R=17500; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Enke [dtc], H. Enke [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 760
+CH$NAME: Anabaenopeptin A
+CH$NAME: (2S)-2-[[(3S,6S,9S,12S,15R)-3-benzyl-9-[2-(4-hydroxyphenyl)ethyl]-6,7-dimethyl-2,5,8,11,14-pentaoxo-12-propan-2-yl-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C44H57N7O10
+CH$EXACT_MASS: 843.416691
+CH$SMILES: C[C@H]1C(N[C@@H](CC2=CC=CC=C2)C(NCCCC[C@@H](NC(N[C@H](C(O)=O)CC3=CC=C(O)C=C3)=O)C(N[C@@H](C(C)C)C(N[C@@H](CCC4=CC=C(O)C=C4)C(N1C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C44H57N7O10/c1-26(2)37-41(57)46-34(22-17-28-13-18-31(52)19-14-28)42(58)51(4)27(3)38(54)47-35(24-29-10-6-5-7-11-29)39(55)45-23-9-8-12-33(40(56)50-37)48-44(61)49-36(43(59)60)25-30-15-20-32(53)21-16-30/h5-7,10-11,13-16,18-21,26-27,33-37,52-53H,8-9,12,17,22-25H2,1-4H3,(H,45,55)(H,46,57)(H,47,54)(H,50,56)(H,59,60)(H2,48,49,61)/t27-,33+,34-,35-,36-,37-/m0/s1
+CH$LINK: PUBCHEM CID:10418092
+CH$LINK: INCHIKEY JWVKNHDSRADFFA-IFWSNWNESA-N
+CH$LINK: CHEMSPIDER 8593524
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 58-875
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.367 min
+MS$FOCUSED_ION: BASE_PEAK 842.4094
+MS$FOCUSED_ION: PRECURSOR_M/Z 842.4094
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 14911652.86
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0il0-0402609000-951ffe5f389a121afb5a
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  119.0489 C6H5N3- 1 119.0489 -0.24
+  127.05 C3H5N5O- 1 127.05 0.47
+  163.04 C9H7O3- 1 163.0401 -0.53
+  180.0664 C9H10NO3- 1 180.0666 -1.13
+  189.0669 C10H9N2O2- 1 189.067 -0.06
+  204.0665 C11H10NO3- 1 204.0666 -0.73
+  261.1247 C14H17N2O3- 2 261.1245 0.91
+  278.1512 C14H20N3O3- 2 278.151 0.78
+  300.1348 C16H18N3O3- 2 300.1354 -1.8
+  331.2138 C18H27N4O2- 4 331.2139 -0.38
+  356.1968 C18H24N6O2- 3 356.1966 0.48
+  399.2038 C21H27N4O4- 4 399.2038 0.09
+  402.2143 C20H28N5O4- 3 402.2147 -0.87
+  416.2309 C21H30N5O4- 3 416.2303 1.32
+  459.2369 C24H33N3O6- 5 459.2375 -1.36
+  460.2565 C23H34N5O5- 3 460.2565 -0.14
+  661.3357 C35H45N6O7- 5 661.3355 0.24
+  662.3368 C42H42N6O2- 4 662.3375 -1.06
+PK$NUM_PEAK: 18
+PK$PEAK: m/z int. rel.int.
+  119.0489 15633.9 30
+  127.05 14271.7 27
+  163.04 20085.2 39
+  180.0664 215185.1 418
+  189.0669 17158.6 33
+  204.0665 10403.5 20
+  261.1247 18071.8 35
+  278.1512 16405.7 31
+  300.1348 39708.9 77
+  331.2138 77112.5 150
+  356.1968 28288.9 55
+  399.2038 32069.4 62
+  402.2143 314069.4 611
+  416.2309 21601.5 42
+  459.2369 38463.2 74
+  460.2565 23888.6 46
+  661.3357 513146.9 999
+  662.3368 26031.1 50
+//
diff --git a/Eawag/MSBNK-MLU-ED076055.txt b/Eawag/MSBNK-MLU-ED076055.txt
new file mode 100644
index 0000000000..1474d5a248
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED076055.txt
@@ -0,0 +1,85 @@
+ACCESSION: MSBNK-MLU-ED076055
+RECORD_TITLE: Anabaenopeptin A; LC-ESI-QFT; MS2; CE: 40%; R=17500; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Enke [dtc], H. Enke [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 760
+CH$NAME: Anabaenopeptin A
+CH$NAME: (2S)-2-[[(3S,6S,9S,12S,15R)-3-benzyl-9-[2-(4-hydroxyphenyl)ethyl]-6,7-dimethyl-2,5,8,11,14-pentaoxo-12-propan-2-yl-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C44H57N7O10
+CH$EXACT_MASS: 843.416691
+CH$SMILES: C[C@H]1C(N[C@@H](CC2=CC=CC=C2)C(NCCCC[C@@H](NC(N[C@H](C(O)=O)CC3=CC=C(O)C=C3)=O)C(N[C@@H](C(C)C)C(N[C@@H](CCC4=CC=C(O)C=C4)C(N1C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C44H57N7O10/c1-26(2)37-41(57)46-34(22-17-28-13-18-31(52)19-14-28)42(58)51(4)27(3)38(54)47-35(24-29-10-6-5-7-11-29)39(55)45-23-9-8-12-33(40(56)50-37)48-44(61)49-36(43(59)60)25-30-15-20-32(53)21-16-30/h5-7,10-11,13-16,18-21,26-27,33-37,52-53H,8-9,12,17,22-25H2,1-4H3,(H,45,55)(H,46,57)(H,47,54)(H,50,56)(H,59,60)(H2,48,49,61)/t27-,33+,34-,35-,36-,37-/m0/s1
+CH$LINK: PUBCHEM CID:10418092
+CH$LINK: INCHIKEY JWVKNHDSRADFFA-IFWSNWNESA-N
+CH$LINK: CHEMSPIDER 8593524
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 58-875
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.367 min
+MS$FOCUSED_ION: BASE_PEAK 842.4094
+MS$FOCUSED_ION: PRECURSOR_M/Z 842.4094
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 14911652.86
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0fai-1932100000-a79b7c47ba85b069344f
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  93.0332 C4H3N3- 1 93.0332 -0.42
+  99.0187 CHN5O- 1 99.0187 0.3
+  101.0706 C2H7N5- 1 101.0707 -1.38
+  107.0488 C5H5N3- 1 107.0489 -0.9
+  119.0489 C6H5N3- 1 119.0489 -0.3
+  127.05 C3H5N5O- 1 127.05 0.11
+  141.0664 C6H9N2O2- 1 141.067 -4.12
+  160.0762 C10H10NO- 2 160.0768 -3.44
+  163.0396 C9H7O3- 1 163.0401 -2.68
+  180.0663 C9H10NO3- 1 180.0666 -1.98
+  200.0712 C12H10NO2- 2 200.0717 -2.36
+  204.0667 C11H10NO3- 1 204.0666 0.4
+  229.1345 C14H17N2O- 2 229.1346 -0.69
+  231.1136 C13H15N2O2- 2 231.1139 -1.29
+  261.1243 C14H17N2O3- 3 261.1245 -0.61
+  300.1352 C16H18N3O3- 2 300.1354 -0.58
+  306.1826 C16H24N3O3- 2 306.1823 0.81
+  314.1506 C17H20N3O3- 2 314.151 -1.3
+  338.1869 C18H22N6O- 2 338.1861 2.36
+  355.214 C20H27N4O2- 4 355.2139 0.08
+  402.2144 C20H28N5O4- 3 402.2147 -0.79
+PK$NUM_PEAK: 21
+PK$PEAK: m/z int. rel.int.
+  93.0332 43366.8 140
+  99.0187 51339.8 166
+  101.0706 64229.1 208
+  107.0488 32262.8 104
+  119.0489 117025.2 380
+  127.05 48316.6 156
+  141.0664 42647.7 138
+  160.0762 54089.3 175
+  163.0396 90883.6 295
+  180.0663 307493.9 999
+  200.0712 14871.9 48
+  204.0667 23255.5 75
+  229.1345 182546.1 593
+  231.1136 32676.4 106
+  261.1243 42892.9 139
+  300.1352 105406.1 342
+  306.1826 21235.3 68
+  314.1506 43121.4 140
+  338.1869 12812.7 41
+  355.214 13937 45
+  402.2144 103826.5 337
+//
diff --git a/Eawag/MSBNK-MLU-ED076056.txt b/Eawag/MSBNK-MLU-ED076056.txt
new file mode 100644
index 0000000000..9f8ae41dd2
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED076056.txt
@@ -0,0 +1,81 @@
+ACCESSION: MSBNK-MLU-ED076056
+RECORD_TITLE: Anabaenopeptin A; LC-ESI-QFT; MS2; CE: 50%; R=17500; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Enke [dtc], H. Enke [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 760
+CH$NAME: Anabaenopeptin A
+CH$NAME: (2S)-2-[[(3S,6S,9S,12S,15R)-3-benzyl-9-[2-(4-hydroxyphenyl)ethyl]-6,7-dimethyl-2,5,8,11,14-pentaoxo-12-propan-2-yl-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C44H57N7O10
+CH$EXACT_MASS: 843.416691
+CH$SMILES: C[C@H]1C(N[C@@H](CC2=CC=CC=C2)C(NCCCC[C@@H](NC(N[C@H](C(O)=O)CC3=CC=C(O)C=C3)=O)C(N[C@@H](C(C)C)C(N[C@@H](CCC4=CC=C(O)C=C4)C(N1C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C44H57N7O10/c1-26(2)37-41(57)46-34(22-17-28-13-18-31(52)19-14-28)42(58)51(4)27(3)38(54)47-35(24-29-10-6-5-7-11-29)39(55)45-23-9-8-12-33(40(56)50-37)48-44(61)49-36(43(59)60)25-30-15-20-32(53)21-16-30/h5-7,10-11,13-16,18-21,26-27,33-37,52-53H,8-9,12,17,22-25H2,1-4H3,(H,45,55)(H,46,57)(H,47,54)(H,50,56)(H,59,60)(H2,48,49,61)/t27-,33+,34-,35-,36-,37-/m0/s1
+CH$LINK: PUBCHEM CID:10418092
+CH$LINK: INCHIKEY JWVKNHDSRADFFA-IFWSNWNESA-N
+CH$LINK: CHEMSPIDER 8593524
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 58-875
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.367 min
+MS$FOCUSED_ION: BASE_PEAK 842.4094
+MS$FOCUSED_ION: PRECURSOR_M/Z 842.4094
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 14911652.86
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0hjm-1920000000-3c299a0a5fbfe3bddc48
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  72.0078 N4O- 1 72.0078 0.09
+  93.0332 C4H3N3- 1 93.0332 -0.33
+  99.0186 CHN5O- 1 99.0187 -0.32
+  101.0707 C2H7N5- 1 101.0707 -0.4
+  102.0545 C2H6N4O- 1 102.0547 -2.42
+  107.049 C5H5N3- 1 107.0489 0.59
+  119.0489 C6H5N3- 1 119.0489 -0.11
+  125.0344 C3H3N5O- 1 125.0343 0.52
+  127.05 C3H5N5O- 1 127.05 -0.01
+  127.0865 C4H9N5- 1 127.0863 1.37
+  141.0663 C6H9N2O2- 2 141.067 -4.77
+  146.0606 C9H8NO- 1 146.0611 -3.82
+  163.0397 C9H7O3- 1 163.0401 -2.03
+  167.082 C8H11N2O2- 2 167.0826 -3.56
+  180.0664 C9H10NO3- 1 180.0666 -1.3
+  227.1186 C14H15N2O- 3 227.119 -1.79
+  229.1346 C14H17N2O- 2 229.1346 -0.16
+  231.1137 C13H15N2O2- 2 231.1139 -0.9
+  300.1358 C16H18N3O3- 3 300.1354 1.55
+PK$NUM_PEAK: 19
+PK$PEAK: m/z int. rel.int.
+  72.0078 31359.2 208
+  93.0332 45593.1 303
+  99.0186 42534.4 283
+  101.0707 83629.2 556
+  102.0545 17242.5 114
+  107.049 45848.7 305
+  119.0489 146847 977
+  125.0344 6312.3 42
+  127.05 32000.4 213
+  127.0865 6412.8 42
+  141.0663 51907.4 345
+  146.0606 42290.8 281
+  163.0397 105060.4 699
+  167.082 10979.5 73
+  180.0664 150070.2 999
+  227.1186 37120.9 247
+  229.1346 108525.3 722
+  231.1137 12184.9 81
+  300.1358 20235.1 134
+//
diff --git a/Eawag/MSBNK-MLU-ED076057.txt b/Eawag/MSBNK-MLU-ED076057.txt
new file mode 100644
index 0000000000..12437e5515
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED076057.txt
@@ -0,0 +1,77 @@
+ACCESSION: MSBNK-MLU-ED076057
+RECORD_TITLE: Anabaenopeptin A; LC-ESI-QFT; MS2; CE: 60%; R=17500; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Enke [dtc], H. Enke [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 760
+CH$NAME: Anabaenopeptin A
+CH$NAME: (2S)-2-[[(3S,6S,9S,12S,15R)-3-benzyl-9-[2-(4-hydroxyphenyl)ethyl]-6,7-dimethyl-2,5,8,11,14-pentaoxo-12-propan-2-yl-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C44H57N7O10
+CH$EXACT_MASS: 843.416691
+CH$SMILES: C[C@H]1C(N[C@@H](CC2=CC=CC=C2)C(NCCCC[C@@H](NC(N[C@H](C(O)=O)CC3=CC=C(O)C=C3)=O)C(N[C@@H](C(C)C)C(N[C@@H](CCC4=CC=C(O)C=C4)C(N1C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C44H57N7O10/c1-26(2)37-41(57)46-34(22-17-28-13-18-31(52)19-14-28)42(58)51(4)27(3)38(54)47-35(24-29-10-6-5-7-11-29)39(55)45-23-9-8-12-33(40(56)50-37)48-44(61)49-36(43(59)60)25-30-15-20-32(53)21-16-30/h5-7,10-11,13-16,18-21,26-27,33-37,52-53H,8-9,12,17,22-25H2,1-4H3,(H,45,55)(H,46,57)(H,47,54)(H,50,56)(H,59,60)(H2,48,49,61)/t27-,33+,34-,35-,36-,37-/m0/s1
+CH$LINK: PUBCHEM CID:10418092
+CH$LINK: INCHIKEY JWVKNHDSRADFFA-IFWSNWNESA-N
+CH$LINK: CHEMSPIDER 8593524
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 58-875
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.367 min
+MS$FOCUSED_ION: BASE_PEAK 842.4094
+MS$FOCUSED_ION: PRECURSOR_M/Z 842.4094
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 14911652.86
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-02t9-1900000000-64b1d43a0655203841c2
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  72.0077 N4O- 1 72.0078 -0.44
+  93.0333 C4H3N3- 1 93.0332 0.9
+  98.0107 CN5O- 1 98.0108 -1.43
+  98.0235 C2H2N4O- 1 98.0234 1.42
+  101.0707 C2H7N5- 1 101.0707 -0.1
+  102.0545 C2H6N4O- 1 102.0547 -2.5
+  107.049 C5H5N3- 1 107.0489 0.73
+  113.0343 C2H3N5O- 1 113.0343 -0.13
+  119.0489 C6H5N3- 1 119.0489 -0.17
+  125.0341 C3H3N5O- 1 125.0343 -1.68
+  127.05 C3H5N5O- 1 127.05 0.29
+  141.0664 C6H9N2O2- 1 141.067 -4.23
+  141.1023 C5H11N5- 1 141.102 2.32
+  160.0766 C10H10NO- 1 160.0768 -0.87
+  163.0397 C9H7O3- 1 163.0401 -2.31
+  180.0662 C9H10NO3- 1 180.0666 -2.15
+  227.1183 C14H15N2O- 2 227.119 -2.86
+PK$NUM_PEAK: 17
+PK$PEAK: m/z int. rel.int.
+  72.0077 39101.3 202
+  93.0333 58319.1 301
+  98.0107 9685.7 50
+  98.0235 6386.1 33
+  101.0707 62438.9 323
+  102.0545 9060.7 46
+  107.049 41699.5 215
+  113.0343 6575 34
+  119.0489 192952.3 999
+  125.0341 6729.3 34
+  127.05 23867 123
+  141.0664 27221.7 140
+  141.1023 10038.6 51
+  160.0766 21776.8 112
+  163.0397 102122.2 528
+  180.0662 55727.9 288
+  227.1183 18818.9 97
+//
diff --git a/Eawag/MSBNK-MLU-ED085901.txt b/Eawag/MSBNK-MLU-ED085901.txt
new file mode 100644
index 0000000000..f907802cf9
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED085901.txt
@@ -0,0 +1,50 @@
+ACCESSION: MSBNK-MLU-ED085901
+RECORD_TITLE: Anabaenopeptin C; LC-ESI-QFT; MS2; CE: 15%; R=17500; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Enke [dtc], H. Enke [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 859
+CH$NAME: Anabaenopeptin C
+CH$NAME: (2R)-6-amino-2-[[(3S,6S,9S,12S,15R)-3-benzyl-9-[2-(4-hydroxyphenyl)ethyl]-6,7-dimethyl-2,5,8,11,14-pentaoxo-12-propan-2-yl-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]hexanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C41H60N8O9
+CH$EXACT_MASS: 808.4483255
+CH$SMILES: C[C@H]1C(N[C@@H](CC2=CC=CC=C2)C(NCCCC[C@@H](NC(N[C@@H](C(O)=O)CCCCN)=O)C(N[C@@H](C(C)C)C(N[C@@H](CCC3=CC=C(O)C=C3)C(N1C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C41H60N8O9/c1-25(2)34-38(54)44-31(21-18-27-16-19-29(50)20-17-27)39(55)49(4)26(3)35(51)45-33(24-28-12-6-5-7-13-28)36(52)43-23-11-9-14-30(37(53)48-34)46-41(58)47-32(40(56)57)15-8-10-22-42/h5-7,12-13,16-17,19-20,25-26,30-34,50H,8-11,14-15,18,21-24,42H2,1-4H3,(H,43,52)(H,44,54)(H,45,51)(H,48,53)(H,56,57)(H2,46,47,58)/t26-,30+,31-,32+,33-,34-/m0/s1
+CH$LINK: PUBCHEM CID:146682033
+CH$LINK: INCHIKEY VNOIUJQJSYNRHB-LJSCDKKUSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 56-845
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 2.566 min
+MS$FOCUSED_ION: BASE_PEAK 809.4558
+MS$FOCUSED_ION: PRECURSOR_M/Z 809.4556
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 10219738.92
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0a4i-0000003090-c260892f9539257aa809
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  637.3705 C34H49N6O6+ 5 637.3708 -0.51
+  663.3491 C35H47N6O7+ 3 663.3501 -1.52
+  791.4449 C41H59N8O8+ 1 791.445 -0.18
+  809.455 C41H61N8O9+ 1 809.4556 -0.79
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  637.3705 3114662 314
+  663.3491 179200.4 18
+  791.4449 108570.8 10
+  809.455 9879938 999
+//
diff --git a/Eawag/MSBNK-MLU-ED085902.txt b/Eawag/MSBNK-MLU-ED085902.txt
new file mode 100644
index 0000000000..6d3ee12247
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED085902.txt
@@ -0,0 +1,86 @@
+ACCESSION: MSBNK-MLU-ED085902
+RECORD_TITLE: Anabaenopeptin C; LC-ESI-QFT; MS2; CE: 20%; R=17500; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Enke [dtc], H. Enke [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 859
+CH$NAME: Anabaenopeptin C
+CH$NAME: (2R)-6-amino-2-[[(3S,6S,9S,12S,15R)-3-benzyl-9-[2-(4-hydroxyphenyl)ethyl]-6,7-dimethyl-2,5,8,11,14-pentaoxo-12-propan-2-yl-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]hexanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C41H60N8O9
+CH$EXACT_MASS: 808.4483255
+CH$SMILES: C[C@H]1C(N[C@@H](CC2=CC=CC=C2)C(NCCCC[C@@H](NC(N[C@@H](C(O)=O)CCCCN)=O)C(N[C@@H](C(C)C)C(N[C@@H](CCC3=CC=C(O)C=C3)C(N1C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C41H60N8O9/c1-25(2)34-38(54)44-31(21-18-27-16-19-29(50)20-17-27)39(55)49(4)26(3)35(51)45-33(24-28-12-6-5-7-13-28)36(52)43-23-11-9-14-30(37(53)48-34)46-41(58)47-32(40(56)57)15-8-10-22-42/h5-7,12-13,16-17,19-20,25-26,30-34,50H,8-11,14-15,18,21-24,42H2,1-4H3,(H,43,52)(H,44,54)(H,45,51)(H,48,53)(H,56,57)(H2,46,47,58)/t26-,30+,31-,32+,33-,34-/m0/s1
+CH$LINK: PUBCHEM CID:146682033
+CH$LINK: INCHIKEY VNOIUJQJSYNRHB-LJSCDKKUSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 56-845
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 2.566 min
+MS$FOCUSED_ION: BASE_PEAK 809.4558
+MS$FOCUSED_ION: PRECURSOR_M/Z 809.4556
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 10219738.92
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-052r-0011019070-50532953cedbfbcf357d
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  114.0548 C5H8NO2+ 1 114.055 -1.45
+  231.1491 C14H19N2O+ 2 231.1492 -0.23
+  232.1656 C10H22N3O3+ 1 232.1656 0.03
+  263.139 C14H19N2O3+ 2 263.139 -0.09
+  275.1711 C11H23N4O4+ 3 275.1714 -0.89
+  294.1812 C15H24N3O3+ 4 294.1812 -0.08
+  316.2017 C18H26N3O2+ 4 316.202 -0.65
+  362.2074 C19H28N3O4+ 4 362.2074 -0.21
+  379.234 C19H31N4O4+ 5 379.234 0.11
+  431.2289 C22H31N4O5+ 5 431.2289 0.03
+  516.2816 C26H38N5O6+ 4 516.2817 -0.04
+  533.3081 C26H41N6O6+ 4 533.3082 -0.25
+  552.318 C30H42N5O5+ 6 552.318 -0.13
+  577.3344 C28H45N6O7+ 5 577.3344 -0.04
+  578.2969 C31H40N5O6+ 4 578.2973 -0.77
+  632.3771 C31H50N7O7+ 4 632.3766 0.72
+  637.3706 C34H49N6O6+ 5 637.3708 -0.32
+  663.3496 C35H47N6O7+ 4 663.3501 -0.69
+  724.402 C37H54N7O8+ 3 724.4028 -1.1
+  781.4613 C40H61N8O8+ 1 781.4607 0.8
+  791.4448 C41H59N8O8+ 1 791.445 -0.26
+  809.455 C41H61N8O9+ 1 809.4556 -0.79
+PK$NUM_PEAK: 22
+PK$PEAK: m/z int. rel.int.
+  114.0548 127179.6 24
+  231.1491 168264.9 31
+  232.1656 269482.4 50
+  263.139 323555.1 61
+  275.1711 98070.1 18
+  294.1812 123499.7 23
+  316.2017 131632.2 24
+  362.2074 503837.6 95
+  379.234 199939.7 37
+  431.2289 59834 11
+  516.2816 279444.8 52
+  533.3081 172259.5 32
+  552.318 120754.6 22
+  577.3344 120467 22
+  578.2969 98691.9 18
+  632.3771 144961.5 27
+  637.3706 5291476 999
+  663.3496 495722.2 93
+  724.402 91395.3 17
+  781.4613 158047.9 29
+  791.4448 267656.1 50
+  809.455 5260844.5 993
+//
diff --git a/Eawag/MSBNK-MLU-ED085903.txt b/Eawag/MSBNK-MLU-ED085903.txt
new file mode 100644
index 0000000000..4147d2a6a9
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED085903.txt
@@ -0,0 +1,130 @@
+ACCESSION: MSBNK-MLU-ED085903
+RECORD_TITLE: Anabaenopeptin C; LC-ESI-QFT; MS2; CE: 25%; R=17500; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Enke [dtc], H. Enke [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 859
+CH$NAME: Anabaenopeptin C
+CH$NAME: (2R)-6-amino-2-[[(3S,6S,9S,12S,15R)-3-benzyl-9-[2-(4-hydroxyphenyl)ethyl]-6,7-dimethyl-2,5,8,11,14-pentaoxo-12-propan-2-yl-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]hexanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C41H60N8O9
+CH$EXACT_MASS: 808.4483255
+CH$SMILES: C[C@H]1C(N[C@@H](CC2=CC=CC=C2)C(NCCCC[C@@H](NC(N[C@@H](C(O)=O)CCCCN)=O)C(N[C@@H](C(C)C)C(N[C@@H](CCC3=CC=C(O)C=C3)C(N1C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C41H60N8O9/c1-25(2)34-38(54)44-31(21-18-27-16-19-29(50)20-17-27)39(55)49(4)26(3)35(51)45-33(24-28-12-6-5-7-13-28)36(52)43-23-11-9-14-30(37(53)48-34)46-41(58)47-32(40(56)57)15-8-10-22-42/h5-7,12-13,16-17,19-20,25-26,30-34,50H,8-11,14-15,18,21-24,42H2,1-4H3,(H,43,52)(H,44,54)(H,45,51)(H,48,53)(H,56,57)(H2,46,47,58)/t26-,30+,31-,32+,33-,34-/m0/s1
+CH$LINK: PUBCHEM CID:146682033
+CH$LINK: INCHIKEY VNOIUJQJSYNRHB-LJSCDKKUSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 56-845
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 2.566 min
+MS$FOCUSED_ION: BASE_PEAK 809.4558
+MS$FOCUSED_ION: PRECURSOR_M/Z 809.4556
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 10219738.92
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-01qi-8263139120-4413b0afe73edb277bbb
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  58.0652 C3H8N+ 1 58.0651 1.3
+  84.0808 C5H10N+ 1 84.0808 0.1
+  86.0599 C4H8NO+ 1 86.06 -1.62
+  114.0549 C5H8NO2+ 1 114.055 -0.58
+  129.1022 C6H13N2O+ 1 129.1022 -0.27
+  147.1126 C6H15N2O2+ 1 147.1128 -1.64
+  169.1336 C9H17N2O+ 1 169.1335 0.07
+  190.1189 C7H16N3O3+ 1 190.1186 1.36
+  231.1492 C14H19N2O+ 2 231.1492 0.04
+  232.1654 C10H22N3O3+ 1 232.1656 -0.76
+  233.1285 C13H17N2O2+ 1 233.1285 0.19
+  236.1387 C12H18N3O2+ 2 236.1394 -2.82
+  254.1495 C12H20N3O3+ 2 254.1499 -1.49
+  258.1445 C9H18N6O3+ 2 258.1435 4.04
+  263.139 C14H19N2O3+ 2 263.139 -0.09
+  275.1712 C11H23N4O4+ 3 275.1714 -0.67
+  277.1548 C15H21N2O3+ 2 277.1547 0.42
+  294.181 C15H24N3O3+ 3 294.1812 -0.8
+  316.2021 C18H26N3O2+ 4 316.202 0.41
+  320.1601 C16H22N3O4+ 2 320.1605 -1.11
+  347.2456 C19H31N4O2+ 3 347.2442 4.06
+  362.2073 C19H28N3O4+ 4 362.2074 -0.38
+  379.2341 C19H31N4O4+ 5 379.234 0.19
+  387.2412 C23H33NO4+ 3 387.2404 2.03
+  403.2337 C21H31N4O4+ 5 403.234 -0.74
+  431.2282 C22H31N4O5+ 6 431.2289 -1.52
+  460.2923 C24H38N5O4+ 5 460.2918 1.02
+  488.2867 C25H38N5O5+ 4 488.2867 -0.18
+  516.2816 C26H38N5O6+ 4 516.2817 -0.16
+  533.3087 C26H41N6O6+ 5 533.3082 1.01
+  550.3027 C30H40N5O5+ 5 550.3024 0.47
+  552.3183 C30H42N5O5+ 5 552.318 0.53
+  577.334 C28H45N6O7+ 4 577.3344 -0.67
+  578.2969 C31H40N5O6+ 4 578.2973 -0.77
+  609.376 C33H49N6O5+ 6 609.3759 0.13
+  619.3594 C33H51N2O9+ 4 619.3589 0.76
+  632.3764 C31H50N7O7+ 4 632.3766 -0.34
+  635.3552 C34H47N6O6+ 5 635.3552 0.01
+  637.3707 C34H49N6O6+ 5 637.3708 -0.22
+  663.3498 C35H47N6O7+ 4 663.3501 -0.42
+  724.4027 C37H54N7O8+ 3 724.4028 -0.25
+  781.4606 C40H61N8O8+ 1 781.4607 -0.06
+  791.4436 C41H59N8O8+ 1 791.445 -1.8
+  809.4552 C41H61N8O9+ 1 809.4556 -0.49
+PK$NUM_PEAK: 44
+PK$PEAK: m/z int. rel.int.
+  58.0652 342924.2 126
+  84.0808 2715785.5 999
+  86.0599 103712.4 38
+  114.0549 597516.8 219
+  129.1022 70281.5 25
+  147.1126 119903.8 44
+  169.1336 123480.9 45
+  190.1189 39173.5 14
+  231.1492 545487.6 200
+  232.1654 431865.1 158
+  233.1285 232864.9 85
+  236.1387 34052.1 12
+  254.1495 60425.6 22
+  258.1445 127207.1 46
+  263.139 762211.8 280
+  275.1712 254525.3 93
+  277.1548 108954.8 40
+  294.181 152425.3 56
+  316.2021 152608.9 56
+  320.1601 55192.2 20
+  347.2456 45398.9 16
+  362.2073 637676.6 234
+  379.2341 261710.4 96
+  387.2412 31966.4 11
+  403.2337 127778.5 47
+  431.2282 111041.2 40
+  460.2923 166484.4 61
+  488.2867 280513.4 103
+  516.2816 206354.8 75
+  533.3087 267144.8 98
+  550.3027 213100.6 78
+  552.3183 193539.2 71
+  577.334 218848.3 80
+  578.2969 102141.8 37
+  609.376 151018.2 55
+  619.3594 154435 56
+  632.3764 304963.6 112
+  635.3552 354403.5 130
+  637.3707 2279141.2 838
+  663.3498 243316.5 89
+  724.4027 194167.5 71
+  781.4606 121675.2 44
+  791.4436 115087.2 42
+  809.4552 976305 359
+//
diff --git a/Eawag/MSBNK-MLU-ED085904.txt b/Eawag/MSBNK-MLU-ED085904.txt
new file mode 100644
index 0000000000..4cece40933
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED085904.txt
@@ -0,0 +1,134 @@
+ACCESSION: MSBNK-MLU-ED085904
+RECORD_TITLE: Anabaenopeptin C; LC-ESI-QFT; MS2; CE: 30%; R=17500; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Enke [dtc], H. Enke [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 859
+CH$NAME: Anabaenopeptin C
+CH$NAME: (2R)-6-amino-2-[[(3S,6S,9S,12S,15R)-3-benzyl-9-[2-(4-hydroxyphenyl)ethyl]-6,7-dimethyl-2,5,8,11,14-pentaoxo-12-propan-2-yl-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]hexanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C41H60N8O9
+CH$EXACT_MASS: 808.4483255
+CH$SMILES: C[C@H]1C(N[C@@H](CC2=CC=CC=C2)C(NCCCC[C@@H](NC(N[C@@H](C(O)=O)CCCCN)=O)C(N[C@@H](C(C)C)C(N[C@@H](CCC3=CC=C(O)C=C3)C(N1C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C41H60N8O9/c1-25(2)34-38(54)44-31(21-18-27-16-19-29(50)20-17-27)39(55)49(4)26(3)35(51)45-33(24-28-12-6-5-7-13-28)36(52)43-23-11-9-14-30(37(53)48-34)46-41(58)47-32(40(56)57)15-8-10-22-42/h5-7,12-13,16-17,19-20,25-26,30-34,50H,8-11,14-15,18,21-24,42H2,1-4H3,(H,43,52)(H,44,54)(H,45,51)(H,48,53)(H,56,57)(H2,46,47,58)/t26-,30+,31-,32+,33-,34-/m0/s1
+CH$LINK: PUBCHEM CID:146682033
+CH$LINK: INCHIKEY VNOIUJQJSYNRHB-LJSCDKKUSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 56-845
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 2.566 min
+MS$FOCUSED_ION: BASE_PEAK 809.4558
+MS$FOCUSED_ION: PRECURSOR_M/Z 809.4556
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 10219738.92
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-001i-9362111000-8426532f7015be1ca9df
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  58.0653 C3H8N+ 1 58.0651 2.22
+  84.0808 C5H10N+ 1 84.0808 0.01
+  86.06 C4H8NO+ 1 86.06 -0.73
+  114.0549 C5H8NO2+ 1 114.055 -0.38
+  120.0803 C8H10N+ 1 120.0808 -3.75
+  129.1022 C6H13N2O+ 1 129.1022 -0.63
+  130.0859 C6H12NO2+ 1 130.0863 -2.76
+  147.1127 C6H15N2O2+ 1 147.1128 -1.02
+  150.0912 C9H12NO+ 1 150.0913 -1.01
+  169.1334 C9H17N2O+ 1 169.1335 -0.65
+  190.1188 C7H16N3O3+ 1 190.1186 1.2
+  200.1761 C10H22N3O+ 1 200.1757 1.7
+  205.1335 C12H17N2O+ 1 205.1335 -0.37
+  231.1491 C14H19N2O+ 2 231.1492 -0.23
+  232.1654 C10H22N3O3+ 1 232.1656 -0.56
+  233.1284 C13H17N2O2+ 1 233.1285 -0.4
+  236.139 C12H18N3O2+ 2 236.1394 -1.65
+  249.1597 C14H21N2O2+ 2 249.1598 -0.16
+  254.1499 C12H20N3O3+ 1 254.1499 0.07
+  258.1443 C9H18N6O3+ 2 258.1435 2.97
+  261.1598 C15H21N2O2+ 2 261.1598 0.18
+  263.1389 C14H19N2O3+ 3 263.139 -0.32
+  275.1711 C11H23N4O4+ 3 275.1714 -0.89
+  277.1545 C15H21N2O3+ 3 277.1547 -0.68
+  294.1809 C15H24N3O3+ 3 294.1812 -1.01
+  316.2016 C18H26N3O2+ 3 316.202 -1.14
+  320.1606 C16H22N3O4+ 4 320.1605 0.32
+  337.1874 C16H25N4O4+ 5 337.187 0.95
+  347.2437 C19H31N4O2+ 3 347.2442 -1.22
+  362.2074 C19H28N3O4+ 4 362.2074 -0.21
+  373.2233 C20H29N4O3+ 4 373.2234 -0.36
+  379.2343 C19H31N4O4+ 5 379.234 0.92
+  387.2401 C23H33NO4+ 3 387.2404 -0.73
+  403.2338 C21H31N4O4+ 5 403.234 -0.44
+  448.2552 C22H34N5O5+ 4 448.2554 -0.51
+  460.2917 C24H38N5O4+ 4 460.2918 -0.31
+  488.2872 C25H38N5O5+ 5 488.2867 0.88
+  533.3085 C26H41N6O6+ 5 533.3082 0.55
+  550.3016 C30H40N5O5+ 5 550.3024 -1.42
+  552.3175 C30H42N5O5+ 5 552.318 -0.9
+  577.335 C28H45N6O7+ 5 577.3344 0.91
+  609.3765 C33H49N6O5+ 5 609.3759 0.93
+  632.3757 C31H50N7O7+ 2 632.3766 -1.4
+  635.3549 C34H47N6O6+ 5 635.3552 -0.47
+  637.3707 C34H49N6O6+ 5 637.3708 -0.22
+  724.4011 C37H54N7O8+ 2 724.4028 -2.44
+PK$NUM_PEAK: 46
+PK$PEAK: m/z int. rel.int.
+  58.0653 788416.6 208
+  84.0808 3769355.5 999
+  86.06 285228.5 75
+  114.0549 1142425.5 302
+  120.0803 115187.7 30
+  129.1022 194569.3 51
+  130.0859 55433.9 14
+  147.1127 189625.8 50
+  150.0912 73400.5 19
+  169.1334 220366.7 58
+  190.1188 80213.6 21
+  200.1761 48155.2 12
+  205.1335 118089.6 31
+  231.1491 736825.1 195
+  232.1654 497909.6 131
+  233.1284 271195 71
+  236.139 78052.8 20
+  249.1597 193664.7 51
+  254.1499 109072 28
+  258.1443 227905.3 60
+  261.1598 69946.3 18
+  263.1389 602487.4 159
+  275.1711 265351 70
+  277.1545 163038 43
+  294.1809 174677.5 46
+  316.2016 69590.5 18
+  320.1606 146770.7 38
+  337.1874 80248 21
+  347.2437 111579.8 29
+  362.2074 390905.2 103
+  373.2233 92000.9 24
+  379.2343 153689.6 40
+  387.2401 112630 29
+  403.2338 251914.7 66
+  448.2552 54240.2 14
+  460.2917 110123.8 29
+  488.2872 191879.9 50
+  533.3085 214735.3 56
+  550.3016 284424.6 75
+  552.3175 172949.1 45
+  577.335 74668.1 19
+  609.3765 80228 21
+  632.3757 112368.4 29
+  635.3549 173949.9 46
+  637.3707 441663.8 117
+  724.4011 68364.8 18
+//
diff --git a/Eawag/MSBNK-MLU-ED085905.txt b/Eawag/MSBNK-MLU-ED085905.txt
new file mode 100644
index 0000000000..dd7d99da1c
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED085905.txt
@@ -0,0 +1,110 @@
+ACCESSION: MSBNK-MLU-ED085905
+RECORD_TITLE: Anabaenopeptin C; LC-ESI-QFT; MS2; CE: 40%; R=17500; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Enke [dtc], H. Enke [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 859
+CH$NAME: Anabaenopeptin C
+CH$NAME: (2R)-6-amino-2-[[(3S,6S,9S,12S,15R)-3-benzyl-9-[2-(4-hydroxyphenyl)ethyl]-6,7-dimethyl-2,5,8,11,14-pentaoxo-12-propan-2-yl-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]hexanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C41H60N8O9
+CH$EXACT_MASS: 808.4483255
+CH$SMILES: C[C@H]1C(N[C@@H](CC2=CC=CC=C2)C(NCCCC[C@@H](NC(N[C@@H](C(O)=O)CCCCN)=O)C(N[C@@H](C(C)C)C(N[C@@H](CCC3=CC=C(O)C=C3)C(N1C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C41H60N8O9/c1-25(2)34-38(54)44-31(21-18-27-16-19-29(50)20-17-27)39(55)49(4)26(3)35(51)45-33(24-28-12-6-5-7-13-28)36(52)43-23-11-9-14-30(37(53)48-34)46-41(58)47-32(40(56)57)15-8-10-22-42/h5-7,12-13,16-17,19-20,25-26,30-34,50H,8-11,14-15,18,21-24,42H2,1-4H3,(H,43,52)(H,44,54)(H,45,51)(H,48,53)(H,56,57)(H2,46,47,58)/t26-,30+,31-,32+,33-,34-/m0/s1
+CH$LINK: PUBCHEM CID:146682033
+CH$LINK: INCHIKEY VNOIUJQJSYNRHB-LJSCDKKUSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 56-845
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 2.566 min
+MS$FOCUSED_ION: BASE_PEAK 809.4558
+MS$FOCUSED_ION: PRECURSOR_M/Z 809.4556
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 10219738.92
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-001i-9430000000-3da4a94d6e984611819f
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  58.0653 C3H8N+ 1 58.0651 3.66
+  72.0807 C4H10N+ 1 72.0808 -1.1
+  84.0808 C5H10N+ 1 84.0808 0.19
+  86.06 C4H8NO+ 1 86.06 -0.2
+  107.0489 C7H7O+ 1 107.0491 -2.16
+  114.0549 C5H8NO2+ 1 114.055 -0.11
+  120.0807 C8H10N+ 1 120.0808 -0.77
+  129.1022 C6H13N2O+ 1 129.1022 -0.39
+  130.0863 C6H12NO2+ 1 130.0863 0.05
+  147.1126 C6H15N2O2+ 1 147.1128 -1.23
+  150.0912 C9H12NO+ 1 150.0913 -0.91
+  169.1334 C9H17N2O+ 1 169.1335 -0.56
+  173.0921 C7H13N2O3+ 1 173.0921 0.23
+  174.1277 C12H16N+ 1 174.1277 -0.25
+  190.1201 C9H18O4+ 1 190.12 0.72
+  200.1757 C10H22N3O+ 1 200.1757 -0.43
+  205.1335 C12H17N2O+ 1 205.1335 -0.3
+  226.155 C11H20N3O2+ 1 226.155 -0.05
+  231.1491 C14H19N2O+ 2 231.1492 -0.29
+  232.1655 C10H22N3O3+ 1 232.1656 -0.23
+  233.1285 C13H17N2O2+ 1 233.1285 0.06
+  236.1394 C12H18N3O2+ 1 236.1394 0.09
+  249.1598 C14H21N2O2+ 2 249.1598 0.02
+  254.1501 C12H20N3O3+ 2 254.1499 0.61
+  258.1444 C9H18N6O3+ 2 258.1435 3.45
+  263.139 C14H19N2O3+ 2 263.139 -0.09
+  294.1812 C15H24N3O3+ 4 294.1812 -0.18
+  297.1917 C14H25N4O3+ 3 297.1921 -1.3
+  320.1606 C16H22N3O4+ 4 320.1605 0.23
+  347.244 C19H31N4O2+ 4 347.2442 -0.34
+  373.2232 C20H29N4O3+ 4 373.2234 -0.69
+  387.2391 C23H33NO4+ 4 387.2404 -3.49
+  403.234 C21H31N4O4+ 5 403.234 0.17
+  550.3021 C30H40N5O5+ 5 550.3024 -0.53
+PK$NUM_PEAK: 34
+PK$PEAK: m/z int. rel.int.
+  58.0653 2229284 405
+  72.0807 166739.6 30
+  84.0808 5494540.5 999
+  86.06 886813.8 161
+  107.0489 182094.6 33
+  114.0549 1408941.2 256
+  120.0807 613646 111
+  129.1022 552819.1 100
+  130.0863 158299.5 28
+  147.1126 267816.7 48
+  150.0912 410100.7 74
+  169.1334 268754.1 48
+  173.0921 122153.2 22
+  174.1277 65885.6 11
+  190.1201 129166.5 23
+  200.1757 123217.5 22
+  205.1335 212838.8 38
+  226.155 255390.7 46
+  231.1491 650622.6 118
+  232.1655 337493.7 61
+  233.1285 131473.7 23
+  236.1394 87020.8 15
+  249.1598 289574.8 52
+  254.1501 146456.2 26
+  258.1444 303827.6 55
+  263.139 125854.7 22
+  294.1812 198359.9 36
+  297.1917 124384.9 22
+  320.1606 232923.5 42
+  347.244 223833.7 40
+  373.2232 210233.9 38
+  387.2391 146654.5 26
+  403.234 186835.5 33
+  550.3021 59689.7 10
+//
diff --git a/Eawag/MSBNK-MLU-ED085906.txt b/Eawag/MSBNK-MLU-ED085906.txt
new file mode 100644
index 0000000000..54ea1b0693
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED085906.txt
@@ -0,0 +1,88 @@
+ACCESSION: MSBNK-MLU-ED085906
+RECORD_TITLE: Anabaenopeptin C; LC-ESI-QFT; MS2; CE: 50%; R=17500; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Enke [dtc], H. Enke [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 859
+CH$NAME: Anabaenopeptin C
+CH$NAME: (2R)-6-amino-2-[[(3S,6S,9S,12S,15R)-3-benzyl-9-[2-(4-hydroxyphenyl)ethyl]-6,7-dimethyl-2,5,8,11,14-pentaoxo-12-propan-2-yl-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]hexanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C41H60N8O9
+CH$EXACT_MASS: 808.4483255
+CH$SMILES: C[C@H]1C(N[C@@H](CC2=CC=CC=C2)C(NCCCC[C@@H](NC(N[C@@H](C(O)=O)CCCCN)=O)C(N[C@@H](C(C)C)C(N[C@@H](CCC3=CC=C(O)C=C3)C(N1C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C41H60N8O9/c1-25(2)34-38(54)44-31(21-18-27-16-19-29(50)20-17-27)39(55)49(4)26(3)35(51)45-33(24-28-12-6-5-7-13-28)36(52)43-23-11-9-14-30(37(53)48-34)46-41(58)47-32(40(56)57)15-8-10-22-42/h5-7,12-13,16-17,19-20,25-26,30-34,50H,8-11,14-15,18,21-24,42H2,1-4H3,(H,43,52)(H,44,54)(H,45,51)(H,48,53)(H,56,57)(H2,46,47,58)/t26-,30+,31-,32+,33-,34-/m0/s1
+CH$LINK: PUBCHEM CID:146682033
+CH$LINK: INCHIKEY VNOIUJQJSYNRHB-LJSCDKKUSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 56-845
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 2.566 min
+MS$FOCUSED_ION: BASE_PEAK 809.4558
+MS$FOCUSED_ION: PRECURSOR_M/Z 809.4556
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 10219738.92
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-001i-9300000000-098ec4fb4631ceaa0079
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  58.0654 C3H8N+ 1 58.0651 3.99
+  72.0809 C4H10N+ 1 72.0808 1.23
+  84.0808 C5H10N+ 1 84.0808 0.46
+  86.06 C4H8NO+ 1 86.06 -0.02
+  114.055 C5H8NO2+ 1 114.055 0.22
+  120.0808 C8H10N+ 1 120.0808 -0.07
+  129.1022 C6H13N2O+ 1 129.1022 -0.39
+  130.0862 C6H12NO2+ 1 130.0863 -0.53
+  147.1127 C6H15N2O2+ 1 147.1128 -0.92
+  150.0913 C9H12NO+ 1 150.0913 -0.6
+  155.0812 C7H11N2O2+ 1 155.0815 -1.68
+  173.0919 C7H13N2O3+ 1 173.0921 -0.74
+  174.1277 C12H16N+ 1 174.1277 -0.43
+  183.1493 C10H19N2O+ 1 183.1492 0.43
+  190.1197 C9H18O4+ 1 190.12 -1.13
+  200.1758 C10H22N3O+ 1 200.1757 0.33
+  209.1283 C11H17N2O2+ 1 209.1285 -0.57
+  231.1492 C14H19N2O+ 2 231.1492 0.1
+  249.1597 C14H21N2O2+ 2 249.1598 -0.28
+  258.1435 C9H18N6O3+ 1 258.1435 0.14
+  297.1917 C14H25N4O3+ 3 297.1921 -1.4
+  347.2443 C19H31N4O2+ 5 347.2442 0.54
+  373.2228 C20H29N4O3+ 3 373.2234 -1.67
+PK$NUM_PEAK: 23
+PK$PEAK: m/z int. rel.int.
+  58.0654 2655893 497
+  72.0809 299040 55
+  84.0808 5337034 999
+  86.06 1152933.8 215
+  114.055 568368.1 106
+  120.0808 1179101.6 220
+  129.1022 557853.1 104
+  130.0862 212786.3 39
+  147.1127 215144.5 40
+  150.0913 426231 79
+  155.0812 65263.7 12
+  173.0919 154680.7 28
+  174.1277 129124.2 24
+  183.1493 150249.8 28
+  190.1197 67217.1 12
+  200.1758 76766.6 14
+  209.1283 74678.5 13
+  231.1492 233137.7 43
+  249.1597 74483.1 13
+  258.1435 72117 13
+  297.1917 67264 12
+  347.2443 59587 11
+  373.2228 54197.6 10
+//
diff --git a/Eawag/MSBNK-MLU-ED085907.txt b/Eawag/MSBNK-MLU-ED085907.txt
new file mode 100644
index 0000000000..7ae4c3f6a3
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED085907.txt
@@ -0,0 +1,80 @@
+ACCESSION: MSBNK-MLU-ED085907
+RECORD_TITLE: Anabaenopeptin C; LC-ESI-QFT; MS2; CE: 60%; R=17500; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Enke [dtc], H. Enke [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 859
+CH$NAME: Anabaenopeptin C
+CH$NAME: (2R)-6-amino-2-[[(3S,6S,9S,12S,15R)-3-benzyl-9-[2-(4-hydroxyphenyl)ethyl]-6,7-dimethyl-2,5,8,11,14-pentaoxo-12-propan-2-yl-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]hexanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C41H60N8O9
+CH$EXACT_MASS: 808.4483255
+CH$SMILES: C[C@H]1C(N[C@@H](CC2=CC=CC=C2)C(NCCCC[C@@H](NC(N[C@@H](C(O)=O)CCCCN)=O)C(N[C@@H](C(C)C)C(N[C@@H](CCC3=CC=C(O)C=C3)C(N1C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C41H60N8O9/c1-25(2)34-38(54)44-31(21-18-27-16-19-29(50)20-17-27)39(55)49(4)26(3)35(51)45-33(24-28-12-6-5-7-13-28)36(52)43-23-11-9-14-30(37(53)48-34)46-41(58)47-32(40(56)57)15-8-10-22-42/h5-7,12-13,16-17,19-20,25-26,30-34,50H,8-11,14-15,18,21-24,42H2,1-4H3,(H,43,52)(H,44,54)(H,45,51)(H,48,53)(H,56,57)(H2,46,47,58)/t26-,30+,31-,32+,33-,34-/m0/s1
+CH$LINK: PUBCHEM CID:146682033
+CH$LINK: INCHIKEY VNOIUJQJSYNRHB-LJSCDKKUSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 56-845
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 2.566 min
+MS$FOCUSED_ION: BASE_PEAK 809.4558
+MS$FOCUSED_ION: PRECURSOR_M/Z 809.4556
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 10219738.92
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-053r-9300000000-efd51977dde77b190334
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  58.0654 C3H8N+ 1 58.0651 4.12
+  72.0809 C4H10N+ 1 72.0808 1.34
+  84.0808 C5H10N+ 1 84.0808 0.37
+  86.06 C4H8NO+ 1 86.06 -0.11
+  103.0543 C8H7+ 1 103.0542 0.27
+  105.0698 C8H9+ 1 105.0699 -0.61
+  107.0491 C7H7O+ 1 107.0491 0.05
+  114.055 C5H8NO2+ 1 114.055 0.09
+  120.0808 C8H10N+ 1 120.0808 -0.13
+  129.1022 C6H13N2O+ 1 129.1022 -0.39
+  130.0862 C6H12NO2+ 1 130.0863 -0.3
+  138.1276 C9H16N+ 1 138.1277 -0.89
+  146.0963 C10H12N+ 1 146.0964 -0.67
+  147.1128 C6H15N2O2+ 1 147.1128 0.02
+  150.0912 C9H12NO+ 1 150.0913 -1.01
+  155.0813 C7H11N2O2+ 1 155.0815 -1.38
+  173.0922 C7H13N2O3+ 1 173.0921 0.85
+  209.1283 C11H17N2O2+ 1 209.1285 -0.65
+  226.1549 C11H20N3O2+ 1 226.155 -0.31
+PK$NUM_PEAK: 19
+PK$PEAK: m/z int. rel.int.
+  58.0654 3471651.2 487
+  72.0809 457037.2 64
+  84.0808 7120217.5 999
+  86.06 1498181.5 210
+  103.0543 73981.3 10
+  105.0698 91980.8 12
+  107.0491 996501.7 139
+  114.055 266864.4 37
+  120.0808 1809881 253
+  129.1022 538948.8 75
+  130.0862 240129.2 33
+  138.1276 94017.1 13
+  146.0963 84542.9 11
+  147.1128 137027.2 19
+  150.0912 273407.5 38
+  155.0813 133795.1 18
+  173.0922 107842.1 15
+  209.1283 76591.4 10
+  226.1549 243125.5 34
+//
diff --git a/Eawag/MSBNK-MLU-ED085908.txt b/Eawag/MSBNK-MLU-ED085908.txt
new file mode 100644
index 0000000000..1df1f6f957
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED085908.txt
@@ -0,0 +1,78 @@
+ACCESSION: MSBNK-MLU-ED085908
+RECORD_TITLE: Anabaenopeptin C; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Enke [dtc], H. Enke [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 859
+CH$NAME: Anabaenopeptin C
+CH$NAME: (2R)-6-amino-2-[[(3S,6S,9S,12S,15R)-3-benzyl-9-[2-(4-hydroxyphenyl)ethyl]-6,7-dimethyl-2,5,8,11,14-pentaoxo-12-propan-2-yl-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]hexanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C41H60N8O9
+CH$EXACT_MASS: 808.4483255
+CH$SMILES: C[C@H]1C(N[C@@H](CC2=CC=CC=C2)C(NCCCC[C@@H](NC(N[C@@H](C(O)=O)CCCCN)=O)C(N[C@@H](C(C)C)C(N[C@@H](CCC3=CC=C(O)C=C3)C(N1C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C41H60N8O9/c1-25(2)34-38(54)44-31(21-18-27-16-19-29(50)20-17-27)39(55)49(4)26(3)35(51)45-33(24-28-12-6-5-7-13-28)36(52)43-23-11-9-14-30(37(53)48-34)46-41(58)47-32(40(56)57)15-8-10-22-42/h5-7,12-13,16-17,19-20,25-26,30-34,50H,8-11,14-15,18,21-24,42H2,1-4H3,(H,43,52)(H,44,54)(H,45,51)(H,48,53)(H,56,57)(H2,46,47,58)/t26-,30+,31-,32+,33-,34-/m0/s1
+CH$LINK: PUBCHEM CID:146682033
+CH$LINK: INCHIKEY VNOIUJQJSYNRHB-LJSCDKKUSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 56-845
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 2.566 min
+MS$FOCUSED_ION: BASE_PEAK 809.4558
+MS$FOCUSED_ION: PRECURSOR_M/Z 809.4556
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 10219738.92
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-053r-9300000000-70093a53ce5bdfa6d26e
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  58.0653 C3H8N+ 1 58.0651 3.73
+  72.0809 C4H10N+ 1 72.0808 1.44
+  82.0651 C5H8N+ 1 82.0651 0.15
+  84.0808 C5H10N+ 1 84.0808 0.19
+  86.06 C4H8NO+ 1 86.06 -0.38
+  103.0542 C8H7+ 1 103.0542 -0.18
+  105.0699 C8H9+ 1 105.0699 0.05
+  107.0491 C7H7O+ 1 107.0491 -0.02
+  110.0601 C6H8NO+ 1 110.06 0.39
+  114.0549 C5H8NO2+ 1 114.055 -0.18
+  120.0807 C8H10N+ 1 120.0808 -0.32
+  129.1021 C6H13N2O+ 1 129.1022 -0.75
+  130.0862 C6H12NO2+ 1 130.0863 -0.42
+  138.1277 C9H16N+ 1 138.1277 -0.22
+  150.0911 C9H12NO+ 1 150.0913 -1.72
+  155.0813 C7H11N2O2+ 1 155.0815 -1.48
+  174.1276 C12H16N+ 1 174.1277 -0.52
+  226.1552 C11H20N3O2+ 1 226.155 0.76
+PK$NUM_PEAK: 18
+PK$PEAK: m/z int. rel.int.
+  58.0653 2965511.8 484
+  72.0809 430294.8 70
+  82.0651 79389 12
+  84.0808 6118889.5 999
+  86.06 1043214.2 170
+  103.0542 146155.5 23
+  105.0699 116475.1 19
+  107.0491 1098452.9 179
+  110.0601 71680.8 11
+  114.0549 95935.7 15
+  120.0807 1570393.2 256
+  129.1021 257410.7 42
+  130.0862 142953.8 23
+  138.1277 109077.2 17
+  150.0911 80045.8 13
+  155.0813 85670.9 13
+  174.1276 80177.4 13
+  226.1552 72626.2 11
+//
diff --git a/Eawag/MSBNK-MLU-ED085951.txt b/Eawag/MSBNK-MLU-ED085951.txt
new file mode 100644
index 0000000000..d68a80abe8
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED085951.txt
@@ -0,0 +1,48 @@
+ACCESSION: MSBNK-MLU-ED085951
+RECORD_TITLE: Anabaenopeptin C; LC-ESI-QFT; MS2; CE: 15%; R=17500; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Enke [dtc], H. Enke [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 859
+CH$NAME: Anabaenopeptin C
+CH$NAME: (2R)-6-amino-2-[[(3S,6S,9S,12S,15R)-3-benzyl-9-[2-(4-hydroxyphenyl)ethyl]-6,7-dimethyl-2,5,8,11,14-pentaoxo-12-propan-2-yl-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]hexanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C41H60N8O9
+CH$EXACT_MASS: 808.4483255
+CH$SMILES: C[C@H]1C(N[C@@H](CC2=CC=CC=C2)C(NCCCC[C@@H](NC(N[C@@H](C(O)=O)CCCCN)=O)C(N[C@@H](C(C)C)C(N[C@@H](CCC3=CC=C(O)C=C3)C(N1C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C41H60N8O9/c1-25(2)34-38(54)44-31(21-18-27-16-19-29(50)20-17-27)39(55)49(4)26(3)35(51)45-33(24-28-12-6-5-7-13-28)36(52)43-23-11-9-14-30(37(53)48-34)46-41(58)47-32(40(56)57)15-8-10-22-42/h5-7,12-13,16-17,19-20,25-26,30-34,50H,8-11,14-15,18,21-24,42H2,1-4H3,(H,43,52)(H,44,54)(H,45,51)(H,48,53)(H,56,57)(H2,46,47,58)/t26-,30+,31-,32+,33-,34-/m0/s1
+CH$LINK: PUBCHEM CID:146682033
+CH$LINK: INCHIKEY VNOIUJQJSYNRHB-LJSCDKKUSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 56-840
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 2.543 min
+MS$FOCUSED_ION: BASE_PEAK 807.4413
+MS$FOCUSED_ION: PRECURSOR_M/Z 807.441
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 4326419.9
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03di-0000009200-a8ee66ebd820c6a5c7f1
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  661.3356 C35H45N6O7- 4 661.3355 0.05
+  662.3393 C30H46N8O9- 2 662.3393 0.02
+  789.4307 C41H57N8O8- 1 789.4305 0.27
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  661.3356 1313110.4 999
+  662.3393 57456.7 43
+  789.4307 399062.2 303
+//
diff --git a/Eawag/MSBNK-MLU-ED085952.txt b/Eawag/MSBNK-MLU-ED085952.txt
new file mode 100644
index 0000000000..b696354e89
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED085952.txt
@@ -0,0 +1,50 @@
+ACCESSION: MSBNK-MLU-ED085952
+RECORD_TITLE: Anabaenopeptin C; LC-ESI-QFT; MS2; CE: 20%; R=17500; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Enke [dtc], H. Enke [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 859
+CH$NAME: Anabaenopeptin C
+CH$NAME: (2R)-6-amino-2-[[(3S,6S,9S,12S,15R)-3-benzyl-9-[2-(4-hydroxyphenyl)ethyl]-6,7-dimethyl-2,5,8,11,14-pentaoxo-12-propan-2-yl-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]hexanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C41H60N8O9
+CH$EXACT_MASS: 808.4483255
+CH$SMILES: C[C@H]1C(N[C@@H](CC2=CC=CC=C2)C(NCCCC[C@@H](NC(N[C@@H](C(O)=O)CCCCN)=O)C(N[C@@H](C(C)C)C(N[C@@H](CCC3=CC=C(O)C=C3)C(N1C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C41H60N8O9/c1-25(2)34-38(54)44-31(21-18-27-16-19-29(50)20-17-27)39(55)49(4)26(3)35(51)45-33(24-28-12-6-5-7-13-28)36(52)43-23-11-9-14-30(37(53)48-34)46-41(58)47-32(40(56)57)15-8-10-22-42/h5-7,12-13,16-17,19-20,25-26,30-34,50H,8-11,14-15,18,21-24,42H2,1-4H3,(H,43,52)(H,44,54)(H,45,51)(H,48,53)(H,56,57)(H2,46,47,58)/t26-,30+,31-,32+,33-,34-/m0/s1
+CH$LINK: PUBCHEM CID:146682033
+CH$LINK: INCHIKEY VNOIUJQJSYNRHB-LJSCDKKUSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 56-840
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 2.543 min
+MS$FOCUSED_ION: BASE_PEAK 807.4413
+MS$FOCUSED_ION: PRECURSOR_M/Z 807.441
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 4326419.9
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03di-0000009100-affaffd9dd28b75b09c8
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  145.0976 C6H13N2O2- 2 145.0983 -4.37
+  661.336 C35H45N6O7- 4 661.3355 0.7
+  662.3391 C30H46N8O9- 2 662.3393 -0.35
+  789.4312 C41H57N8O8- 1 789.4305 0.89
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  145.0976 46073.8 37
+  661.336 1242843.9 999
+  662.3391 50689.6 40
+  789.4312 278183 223
+//
diff --git a/Eawag/MSBNK-MLU-ED085953.txt b/Eawag/MSBNK-MLU-ED085953.txt
new file mode 100644
index 0000000000..6cc4598543
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED085953.txt
@@ -0,0 +1,56 @@
+ACCESSION: MSBNK-MLU-ED085953
+RECORD_TITLE: Anabaenopeptin C; LC-ESI-QFT; MS2; CE: 25%; R=17500; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Enke [dtc], H. Enke [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 859
+CH$NAME: Anabaenopeptin C
+CH$NAME: (2R)-6-amino-2-[[(3S,6S,9S,12S,15R)-3-benzyl-9-[2-(4-hydroxyphenyl)ethyl]-6,7-dimethyl-2,5,8,11,14-pentaoxo-12-propan-2-yl-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]hexanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C41H60N8O9
+CH$EXACT_MASS: 808.4483255
+CH$SMILES: C[C@H]1C(N[C@@H](CC2=CC=CC=C2)C(NCCCC[C@@H](NC(N[C@@H](C(O)=O)CCCCN)=O)C(N[C@@H](C(C)C)C(N[C@@H](CCC3=CC=C(O)C=C3)C(N1C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C41H60N8O9/c1-25(2)34-38(54)44-31(21-18-27-16-19-29(50)20-17-27)39(55)49(4)26(3)35(51)45-33(24-28-12-6-5-7-13-28)36(52)43-23-11-9-14-30(37(53)48-34)46-41(58)47-32(40(56)57)15-8-10-22-42/h5-7,12-13,16-17,19-20,25-26,30-34,50H,8-11,14-15,18,21-24,42H2,1-4H3,(H,43,52)(H,44,54)(H,45,51)(H,48,53)(H,56,57)(H2,46,47,58)/t26-,30+,31-,32+,33-,34-/m0/s1
+CH$LINK: PUBCHEM CID:146682033
+CH$LINK: INCHIKEY VNOIUJQJSYNRHB-LJSCDKKUSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 56-840
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 2.543 min
+MS$FOCUSED_ION: BASE_PEAK 807.4413
+MS$FOCUSED_ION: PRECURSOR_M/Z 807.441
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 4326419.9
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03di-0000109100-525d5ae57ad9f9016d18
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  145.0977 C6H13N2O2- 1 145.0983 -3.84
+  331.2133 C18H27N4O2- 3 331.2139 -1.86
+  402.2145 C20H28N5O4- 4 402.2147 -0.49
+  429.214 C22H29N4O5- 5 429.2143 -0.81
+  661.3358 C35H45N6O7- 4 661.3355 0.42
+  662.3385 C30H46N8O9- 2 662.3393 -1.18
+  789.4306 C41H57N8O8- 1 789.4305 0.11
+PK$NUM_PEAK: 7
+PK$PEAK: m/z int. rel.int.
+  145.0977 80203.6 88
+  331.2133 13572.3 14
+  402.2145 142529.3 157
+  429.214 13909.9 15
+  661.3358 904193.6 999
+  662.3385 39755.4 43
+  789.4306 156963.6 173
+//
diff --git a/Eawag/MSBNK-MLU-ED085954.txt b/Eawag/MSBNK-MLU-ED085954.txt
new file mode 100644
index 0000000000..f870173d93
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED085954.txt
@@ -0,0 +1,72 @@
+ACCESSION: MSBNK-MLU-ED085954
+RECORD_TITLE: Anabaenopeptin C; LC-ESI-QFT; MS2; CE: 30%; R=17500; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Enke [dtc], H. Enke [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 859
+CH$NAME: Anabaenopeptin C
+CH$NAME: (2R)-6-amino-2-[[(3S,6S,9S,12S,15R)-3-benzyl-9-[2-(4-hydroxyphenyl)ethyl]-6,7-dimethyl-2,5,8,11,14-pentaoxo-12-propan-2-yl-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]hexanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C41H60N8O9
+CH$EXACT_MASS: 808.4483255
+CH$SMILES: C[C@H]1C(N[C@@H](CC2=CC=CC=C2)C(NCCCC[C@@H](NC(N[C@@H](C(O)=O)CCCCN)=O)C(N[C@@H](C(C)C)C(N[C@@H](CCC3=CC=C(O)C=C3)C(N1C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C41H60N8O9/c1-25(2)34-38(54)44-31(21-18-27-16-19-29(50)20-17-27)39(55)49(4)26(3)35(51)45-33(24-28-12-6-5-7-13-28)36(52)43-23-11-9-14-30(37(53)48-34)46-41(58)47-32(40(56)57)15-8-10-22-42/h5-7,12-13,16-17,19-20,25-26,30-34,50H,8-11,14-15,18,21-24,42H2,1-4H3,(H,43,52)(H,44,54)(H,45,51)(H,48,53)(H,56,57)(H2,46,47,58)/t26-,30+,31-,32+,33-,34-/m0/s1
+CH$LINK: PUBCHEM CID:146682033
+CH$LINK: INCHIKEY VNOIUJQJSYNRHB-LJSCDKKUSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 56-840
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 2.543 min
+MS$FOCUSED_ION: BASE_PEAK 807.4413
+MS$FOCUSED_ION: PRECURSOR_M/Z 807.441
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 4326419.9
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0ik9-0310609000-5eaab29b127d25345dd2
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  127.0497 C3H5N5O- 1 127.05 -1.75
+  145.0976 C6H13N2O2- 2 145.0983 -4.69
+  170.0931 C7H12N3O2- 1 170.0935 -2.32
+  189.067 C10H9N2O2- 1 189.067 0.27
+  204.0665 C11H10NO3- 1 204.0666 -0.8
+  229.1347 C14H17N2O- 2 229.1346 0.17
+  261.1255 H19N7O9- 2 261.125 2.01
+  278.1506 C14H20N3O3- 3 278.151 -1.52
+  356.1971 C18H24N6O2- 3 356.1966 1.42
+  399.2038 C21H27N4O4- 5 399.2038 -0.07
+  402.2141 C20H28N5O4- 4 402.2147 -1.47
+  429.2143 C22H29N4O5- 5 429.2143 -0.1
+  487.3026 C24H43N2O8- 4 487.3025 0.2
+  530.3104 C28H42N4O6- 5 530.311 -1.18
+  661.3356 C35H45N6O7- 4 661.3355 0.14
+PK$NUM_PEAK: 15
+PK$PEAK: m/z int. rel.int.
+  127.0497 16043.8 28
+  145.0976 151371.6 269
+  170.0931 31023.3 55
+  189.067 13232.1 23
+  204.0665 17693.1 31
+  229.1347 13423.2 23
+  261.1255 33264.1 59
+  278.1506 9591.9 17
+  356.1971 30316.6 53
+  399.2038 29337 52
+  402.2141 345792.8 615
+  429.2143 31705.4 56
+  487.3026 11123 19
+  530.3104 49305.4 87
+  661.3356 561205.1 999
+//
diff --git a/Eawag/MSBNK-MLU-ED085955.txt b/Eawag/MSBNK-MLU-ED085955.txt
new file mode 100644
index 0000000000..b212050011
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED085955.txt
@@ -0,0 +1,86 @@
+ACCESSION: MSBNK-MLU-ED085955
+RECORD_TITLE: Anabaenopeptin C; LC-ESI-QFT; MS2; CE: 40%; R=17500; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Enke [dtc], H. Enke [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 859
+CH$NAME: Anabaenopeptin C
+CH$NAME: (2R)-6-amino-2-[[(3S,6S,9S,12S,15R)-3-benzyl-9-[2-(4-hydroxyphenyl)ethyl]-6,7-dimethyl-2,5,8,11,14-pentaoxo-12-propan-2-yl-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]hexanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C41H60N8O9
+CH$EXACT_MASS: 808.4483255
+CH$SMILES: C[C@H]1C(N[C@@H](CC2=CC=CC=C2)C(NCCCC[C@@H](NC(N[C@@H](C(O)=O)CCCCN)=O)C(N[C@@H](C(C)C)C(N[C@@H](CCC3=CC=C(O)C=C3)C(N1C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C41H60N8O9/c1-25(2)34-38(54)44-31(21-18-27-16-19-29(50)20-17-27)39(55)49(4)26(3)35(51)45-33(24-28-12-6-5-7-13-28)36(52)43-23-11-9-14-30(37(53)48-34)46-41(58)47-32(40(56)57)15-8-10-22-42/h5-7,12-13,16-17,19-20,25-26,30-34,50H,8-11,14-15,18,21-24,42H2,1-4H3,(H,43,52)(H,44,54)(H,45,51)(H,48,53)(H,56,57)(H2,46,47,58)/t26-,30+,31-,32+,33-,34-/m0/s1
+CH$LINK: PUBCHEM CID:146682033
+CH$LINK: INCHIKEY VNOIUJQJSYNRHB-LJSCDKKUSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 56-840
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 2.543 min
+MS$FOCUSED_ION: BASE_PEAK 807.4413
+MS$FOCUSED_ION: PRECURSOR_M/Z 807.441
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 4326419.9
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0f9t-0933100000-9f471abc4d1ead65bb78
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  101.0707 C2H7N5- 1 101.0707 0.28
+  102.0547 C2H6N4O- 1 102.0547 -0.41
+  107.0488 C5H5N3- 1 107.0489 -1.12
+  119.0489 C6H5N3- 1 119.0489 0.02
+  125.0708 C4H7N5- 1 125.0707 0.58
+  127.0496 C3H5N5O- 1 127.05 -2.96
+  141.0662 C4H7N5O- 2 141.0656 4.53
+  145.0976 C6H13N2O2- 2 145.0983 -4.58
+  146.0606 C9H8NO- 1 146.0611 -3.61
+  153.0662 C5H7N5O- 2 153.0656 3.95
+  160.0764 C10H10NO- 1 160.0768 -2.3
+  170.0931 C7H12N3O2- 1 170.0935 -2.23
+  204.0665 C11H10NO3- 1 204.0666 -0.35
+  227.1194 H17N7O7- 2 227.1195 -0.26
+  229.1346 C14H17N2O- 2 229.1346 -0.29
+  278.15 C14H20N3O3- 2 278.151 -3.71
+  300.135 C16H18N3O3- 3 300.1354 -1.19
+  306.1818 C16H24N3O3- 3 306.1823 -1.68
+  331.2138 C18H27N4O2- 4 331.2139 -0.57
+  356.1972 C18H24N6O2- 3 356.1966 1.51
+  402.2143 C20H28N5O4- 4 402.2147 -0.87
+  429.2137 C22H29N4O5- 6 429.2143 -1.52
+PK$NUM_PEAK: 22
+PK$PEAK: m/z int. rel.int.
+  101.0707 47591.2 251
+  102.0547 14521.7 76
+  107.0488 21660.3 114
+  119.0489 38733.9 204
+  125.0708 17953.3 94
+  127.0496 25074 132
+  141.0662 32597.8 172
+  145.0976 189261.9 999
+  146.0606 23703.6 125
+  153.0662 14720.1 77
+  160.0764 39749.2 209
+  170.0931 69788.5 368
+  204.0665 16688.3 88
+  227.1194 23204.3 122
+  229.1346 123937.9 654
+  278.15 21651.5 114
+  300.135 71644.1 378
+  306.1818 15982 84
+  331.2138 100077.8 528
+  356.1972 15728.8 83
+  402.2143 67193.4 354
+  429.2137 11403.4 60
+//
diff --git a/Eawag/MSBNK-MLU-ED085956.txt b/Eawag/MSBNK-MLU-ED085956.txt
new file mode 100644
index 0000000000..6d79ecf805
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED085956.txt
@@ -0,0 +1,86 @@
+ACCESSION: MSBNK-MLU-ED085956
+RECORD_TITLE: Anabaenopeptin C; LC-ESI-QFT; MS2; CE: 50%; R=17500; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Enke [dtc], H. Enke [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 859
+CH$NAME: Anabaenopeptin C
+CH$NAME: (2R)-6-amino-2-[[(3S,6S,9S,12S,15R)-3-benzyl-9-[2-(4-hydroxyphenyl)ethyl]-6,7-dimethyl-2,5,8,11,14-pentaoxo-12-propan-2-yl-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]hexanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C41H60N8O9
+CH$EXACT_MASS: 808.4483255
+CH$SMILES: C[C@H]1C(N[C@@H](CC2=CC=CC=C2)C(NCCCC[C@@H](NC(N[C@@H](C(O)=O)CCCCN)=O)C(N[C@@H](C(C)C)C(N[C@@H](CCC3=CC=C(O)C=C3)C(N1C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C41H60N8O9/c1-25(2)34-38(54)44-31(21-18-27-16-19-29(50)20-17-27)39(55)49(4)26(3)35(51)45-33(24-28-12-6-5-7-13-28)36(52)43-23-11-9-14-30(37(53)48-34)46-41(58)47-32(40(56)57)15-8-10-22-42/h5-7,12-13,16-17,19-20,25-26,30-34,50H,8-11,14-15,18,21-24,42H2,1-4H3,(H,43,52)(H,44,54)(H,45,51)(H,48,53)(H,56,57)(H2,46,47,58)/t26-,30+,31-,32+,33-,34-/m0/s1
+CH$LINK: PUBCHEM CID:146682033
+CH$LINK: INCHIKEY VNOIUJQJSYNRHB-LJSCDKKUSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 56-840
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 2.543 min
+MS$FOCUSED_ION: BASE_PEAK 807.4413
+MS$FOCUSED_ION: PRECURSOR_M/Z 807.441
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 4326419.9
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-002b-0910000000-4db354412bb02f792348
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  93.0331 C4H3N3- 1 93.0332 -1.4
+  98.0105 CN5O- 1 98.0108 -3.69
+  99.0185 CHN5O- 1 99.0187 -1.39
+  101.0707 C2H7N5- 1 101.0707 0.43
+  102.0548 C2H6N4O- 1 102.0547 1.09
+  107.0489 C5H5N3- 1 107.0489 0.09
+  115.0864 C3H9N5- 1 115.0863 0.33
+  119.049 C6H5N3- 1 119.0489 0.72
+  125.0704 C4H7N5- 1 125.0707 -2.35
+  127.05 C3H5N5O- 1 127.05 0.71
+  127.0863 C4H9N5- 1 127.0863 -0.61
+  141.0662 C4H7N5O- 1 141.0656 4.21
+  145.0976 C6H13N2O2- 2 145.0983 -4.48
+  146.0604 C9H8NO- 2 146.0611 -4.96
+  152.0713 C8H10NO2- 1 152.0717 -2.75
+  153.0662 C5H7N5O- 2 153.0656 4.05
+  160.0766 C10H10NO- 1 160.0768 -1.44
+  170.0932 C7H12N3O2- 1 170.0935 -1.96
+  189.0666 C10H9N2O2- 1 189.067 -1.99
+  200.0717 C12H10NO2- 1 200.0717 0.15
+  229.1347 C14H17N2O- 2 229.1346 0.31
+  231.1128 C11H13N5O- 2 231.1126 1.08
+PK$NUM_PEAK: 22
+PK$PEAK: m/z int. rel.int.
+  93.0331 16547.6 73
+  98.0105 4751.4 21
+  99.0185 14958.1 66
+  101.0707 79780.5 354
+  102.0548 14924.9 66
+  107.0489 32674.2 145
+  115.0864 11458.9 50
+  119.049 63913.2 283
+  125.0704 25124 111
+  127.05 34599.3 153
+  127.0863 10638.7 47
+  141.0662 42893.6 190
+  145.0976 224969.7 999
+  146.0604 49379.8 219
+  152.0713 12568 55
+  153.0662 21876 97
+  160.0766 23910.8 106
+  170.0932 61084.8 271
+  189.0666 19107.8 84
+  200.0717 5854.5 25
+  229.1347 121558 539
+  231.1128 12665.9 56
+//
diff --git a/Eawag/MSBNK-MLU-ED085957.txt b/Eawag/MSBNK-MLU-ED085957.txt
new file mode 100644
index 0000000000..6fa73943f9
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED085957.txt
@@ -0,0 +1,88 @@
+ACCESSION: MSBNK-MLU-ED085957
+RECORD_TITLE: Anabaenopeptin C; LC-ESI-QFT; MS2; CE: 60%; R=17500; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Enke [dtc], H. Enke [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 859
+CH$NAME: Anabaenopeptin C
+CH$NAME: (2R)-6-amino-2-[[(3S,6S,9S,12S,15R)-3-benzyl-9-[2-(4-hydroxyphenyl)ethyl]-6,7-dimethyl-2,5,8,11,14-pentaoxo-12-propan-2-yl-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]hexanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C41H60N8O9
+CH$EXACT_MASS: 808.4483255
+CH$SMILES: C[C@H]1C(N[C@@H](CC2=CC=CC=C2)C(NCCCC[C@@H](NC(N[C@@H](C(O)=O)CCCCN)=O)C(N[C@@H](C(C)C)C(N[C@@H](CCC3=CC=C(O)C=C3)C(N1C)=O)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C41H60N8O9/c1-25(2)34-38(54)44-31(21-18-27-16-19-29(50)20-17-27)39(55)49(4)26(3)35(51)45-33(24-28-12-6-5-7-13-28)36(52)43-23-11-9-14-30(37(53)48-34)46-41(58)47-32(40(56)57)15-8-10-22-42/h5-7,12-13,16-17,19-20,25-26,30-34,50H,8-11,14-15,18,21-24,42H2,1-4H3,(H,43,52)(H,44,54)(H,45,51)(H,48,53)(H,56,57)(H2,46,47,58)/t26-,30+,31-,32+,33-,34-/m0/s1
+CH$LINK: PUBCHEM CID:146682033
+CH$LINK: INCHIKEY VNOIUJQJSYNRHB-LJSCDKKUSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 56-840
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 2.543 min
+MS$FOCUSED_ION: BASE_PEAK 807.4413
+MS$FOCUSED_ION: PRECURSOR_M/Z 807.441
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 4326419.9
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0002-0910000000-24cdd1c96ac0d4c07d52
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  93.0333 C4H3N3- 1 93.0332 0.57
+  98.0108 CN5O- 1 98.0108 -0.26
+  99.0186 CHN5O- 1 99.0187 -0.85
+  101.0707 C2H7N5- 1 101.0707 -0.32
+  102.0548 C2H6N4O- 1 102.0547 0.72
+  107.0489 C5H5N3- 1 107.0489 0.02
+  119.0489 C6H5N3- 1 119.0489 -0.3
+  124.0266 C3H2N5O- 1 124.0265 0.94
+  125.0707 C4H7N5- 1 125.0707 0.27
+  127.0495 C3H5N5O- 1 127.05 -3.86
+  127.0862 C4H9N5- 1 127.0863 -1.16
+  131.0491 C7H5N3- 1 131.0489 1.79
+  141.0661 C4H7N5O- 1 141.0656 3.67
+  141.1022 C5H11N5- 1 141.102 1.78
+  145.0976 C6H13N2O2- 2 145.0983 -4.58
+  146.0607 C9H8NO- 1 146.0611 -2.77
+  152.0713 C8H10NO2- 1 152.0717 -2.96
+  153.0659 C5H7N5O- 1 153.0656 2.16
+  160.0764 C10H10NO- 1 160.0768 -2.3
+  170.0931 C7H12N3O2- 1 170.0935 -2.41
+  207.1135 C11H15N2O2- 2 207.1139 -1.85
+  227.1193 H17N7O7- 2 227.1195 -0.93
+  229.1347 C14H17N2O- 2 229.1346 0.17
+PK$NUM_PEAK: 23
+PK$PEAK: m/z int. rel.int.
+  93.0333 9956.6 63
+  98.0108 9159.4 58
+  99.0186 14062.4 89
+  101.0707 66033.1 421
+  102.0548 10296.4 65
+  107.0489 31456.3 200
+  119.0489 57883.6 369
+  124.0266 11103.5 70
+  125.0707 12575.4 80
+  127.0495 17569.2 112
+  127.0862 8741.9 55
+  131.0491 4545.8 29
+  141.0661 24652.5 157
+  141.1022 11101 70
+  145.0976 156351.4 999
+  146.0607 29554.3 188
+  152.0713 5297.6 33
+  153.0659 13718.6 87
+  160.0764 10628.9 67
+  170.0931 27510.4 175
+  207.1135 4623.5 29
+  227.1193 18996.7 121
+  229.1347 32232.3 205
+//
diff --git a/Eawag/MSBNK-MLU-ED090051.txt b/Eawag/MSBNK-MLU-ED090051.txt
new file mode 100644
index 0000000000..e71db49682
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED090051.txt
@@ -0,0 +1,55 @@
+ACCESSION: MSBNK-MLU-ED090051
+RECORD_TITLE: Cylindrofridin C; LC-ESI-QFT; MS2; CE: 15%; R=17500; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], M. Preisitsch [dtc], S. Mundt [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 900
+CH$NAME: Cylindrofridin C
+CH$NAME: [(1R,2S,7S)-7-[4-[(1R,2S)-1-acetyloxy-7-chloro-2-methylundecyl]-2,6-dihydroxyphenyl]-1-(3,5-dihydroxyphenyl)-2-methylundecyl] acetate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C40H61ClO8
+CH$EXACT_MASS: 704.4054966
+CH$SMILES: CCCC[C@@H](CCCC[C@H](C)[C@H](C1=CC(=CC(=C1)O)O)OC(=O)C)C2=C(C=C(C=C2O)[C@@H]([C@@H](C)CCCCC(CCCC)Cl)OC(=O)C)O
+CH$IUPAC: InChI=1S/C40H61ClO8/c1-7-9-17-30(18-13-11-15-26(3)39(48-28(5)42)31-21-34(44)25-35(45)22-31)38-36(46)23-32(24-37(38)47)40(49-29(6)43)27(4)16-12-14-20-33(41)19-10-8-2/h21-27,30,33,39-40,44-47H,7-20H2,1-6H3/t26-,27-,30-,33?,39+,40+/m0/s1
+CH$LINK: PUBCHEM CID:127032791
+CH$LINK: INCHIKEY GTRRNAAYKNENPF-ZQUJOIDOSA-N
+CH$LINK: CHEMSPIDER 58915007
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-735
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.092 min
+MS$FOCUSED_ION: BASE_PEAK 703.3983
+MS$FOCUSED_ION: PRECURSOR_M/Z 703.3982
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 5788950.08
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0udi-0000003900-9d7f2aa544f196a8e33e
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  583.3572 C36H52ClO4- 1 583.356 2.07
+  607.4018 C38H55O6- 1 607.4004 2.36
+  643.3775 C38H56ClO6- 1 643.3771 0.59
+  667.4222 C40H59O8- 1 667.4215 1
+  685.3876 C40H58ClO7- 1 685.3877 -0.14
+  703.3987 C40H60ClO8- 1 703.3982 0.66
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  583.3572 20851.1 11
+  607.4018 109129.2 58
+  643.3775 144669.6 77
+  667.4222 372015.4 198
+  685.3876 22876.7 12
+  703.3987 1874226.8 999
+//
diff --git a/Eawag/MSBNK-MLU-ED090052.txt b/Eawag/MSBNK-MLU-ED090052.txt
new file mode 100644
index 0000000000..40b104c624
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED090052.txt
@@ -0,0 +1,65 @@
+ACCESSION: MSBNK-MLU-ED090052
+RECORD_TITLE: Cylindrofridin C; LC-ESI-QFT; MS2; CE: 20%; R=17500; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], M. Preisitsch [dtc], S. Mundt [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 900
+CH$NAME: Cylindrofridin C
+CH$NAME: [(1R,2S,7S)-7-[4-[(1R,2S)-1-acetyloxy-7-chloro-2-methylundecyl]-2,6-dihydroxyphenyl]-1-(3,5-dihydroxyphenyl)-2-methylundecyl] acetate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C40H61ClO8
+CH$EXACT_MASS: 704.4054966
+CH$SMILES: CCCC[C@@H](CCCC[C@H](C)[C@H](C1=CC(=CC(=C1)O)O)OC(=O)C)C2=C(C=C(C=C2O)[C@@H]([C@@H](C)CCCCC(CCCC)Cl)OC(=O)C)O
+CH$IUPAC: InChI=1S/C40H61ClO8/c1-7-9-17-30(18-13-11-15-26(3)39(48-28(5)42)31-21-34(44)25-35(45)22-31)38-36(46)23-32(24-37(38)47)40(49-29(6)43)27(4)16-12-14-20-33(41)19-10-8-2/h21-27,30,33,39-40,44-47H,7-20H2,1-6H3/t26-,27-,30-,33?,39+,40+/m0/s1
+CH$LINK: PUBCHEM CID:127032791
+CH$LINK: INCHIKEY GTRRNAAYKNENPF-ZQUJOIDOSA-N
+CH$LINK: CHEMSPIDER 58915007
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-735
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.092 min
+MS$FOCUSED_ION: BASE_PEAK 703.3983
+MS$FOCUSED_ION: PRECURSOR_M/Z 703.3982
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 5788950.08
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-1000-0000029400-62f0e08228d23c855ccd
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  547.3792 C36H51O4- 2 547.3793 -0.22
+  565.39 C36H53O5- 2 565.3898 0.24
+  579.4076 C37H55O5- 1 579.4055 3.61
+  583.357 C36H52ClO4- 1 583.356 1.86
+  589.3907 C38H53O5- 1 589.3898 1.48
+  607.4006 C38H55O6- 2 607.4004 0.35
+  643.3777 C38H56ClO6- 1 643.3771 0.87
+  649.4124 C40H57O7- 1 649.411 2.14
+  661.3878 C38H58ClO7- 1 661.3877 0.22
+  667.4225 C40H59O8- 1 667.4215 1.37
+  703.3989 C40H60ClO8- 1 703.3982 0.92
+PK$NUM_PEAK: 11
+PK$PEAK: m/z int. rel.int.
+  547.3792 146455.8 288
+  565.39 8012.3 15
+  579.4076 11848.8 23
+  583.357 82305.3 162
+  589.3907 13054.6 25
+  607.4006 349328.6 687
+  643.3777 223185.6 439
+  649.4124 15617.9 30
+  661.3878 17331.3 34
+  667.4225 351612.3 692
+  703.3989 507439.9 999
+//
diff --git a/Eawag/MSBNK-MLU-ED090053.txt b/Eawag/MSBNK-MLU-ED090053.txt
new file mode 100644
index 0000000000..c46ca934c0
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED090053.txt
@@ -0,0 +1,71 @@
+ACCESSION: MSBNK-MLU-ED090053
+RECORD_TITLE: Cylindrofridin C; LC-ESI-QFT; MS2; CE: 25%; R=17500; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], M. Preisitsch [dtc], S. Mundt [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 900
+CH$NAME: Cylindrofridin C
+CH$NAME: [(1R,2S,7S)-7-[4-[(1R,2S)-1-acetyloxy-7-chloro-2-methylundecyl]-2,6-dihydroxyphenyl]-1-(3,5-dihydroxyphenyl)-2-methylundecyl] acetate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C40H61ClO8
+CH$EXACT_MASS: 704.4054966
+CH$SMILES: CCCC[C@@H](CCCC[C@H](C)[C@H](C1=CC(=CC(=C1)O)O)OC(=O)C)C2=C(C=C(C=C2O)[C@@H]([C@@H](C)CCCCC(CCCC)Cl)OC(=O)C)O
+CH$IUPAC: InChI=1S/C40H61ClO8/c1-7-9-17-30(18-13-11-15-26(3)39(48-28(5)42)31-21-34(44)25-35(45)22-31)38-36(46)23-32(24-37(38)47)40(49-29(6)43)27(4)16-12-14-20-33(41)19-10-8-2/h21-27,30,33,39-40,44-47H,7-20H2,1-6H3/t26-,27-,30-,33?,39+,40+/m0/s1
+CH$LINK: PUBCHEM CID:127032791
+CH$LINK: INCHIKEY GTRRNAAYKNENPF-ZQUJOIDOSA-N
+CH$LINK: CHEMSPIDER 58915007
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-735
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.092 min
+MS$FOCUSED_ION: BASE_PEAK 703.3983
+MS$FOCUSED_ION: PRECURSOR_M/Z 703.3982
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 5788950.08
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-052b-0000097000-d3e7e7457eb7fadee152
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  503.3877 C35H51O2- 2 503.3895 -3.51
+  519.3831 C29H56ClO5- 2 519.3822 1.85
+  529.3712 C36H49O3- 1 529.3687 4.71
+  547.3792 C36H51O4- 2 547.3793 -0.11
+  548.3834 C30H57ClO6- 1 548.3849 -2.7
+  583.3557 C36H52ClO4- 1 583.356 -0.44
+  589.3899 C38H53O5- 2 589.3898 0.03
+  607.4004 C38H55O6- 2 607.4004 0.05
+  643.3769 C38H56ClO6- 1 643.3771 -0.36
+  649.4132 C40H57O7- 1 649.411 3.36
+  661.3895 C38H58ClO7- 1 661.3877 2.81
+  667.4218 C40H59O8- 1 667.4215 0.45
+  685.389 C40H58ClO7- 1 685.3877 2
+  703.3992 C40H60ClO8- 1 703.3982 1.44
+PK$NUM_PEAK: 14
+PK$PEAK: m/z int. rel.int.
+  503.3877 25978.5 41
+  519.3831 53662.3 85
+  529.3712 25987.8 41
+  547.3792 629600.6 999
+  548.3834 13748.2 21
+  583.3557 173849.5 275
+  589.3899 50940.5 80
+  607.4004 445359.4 706
+  643.3769 148203 235
+  649.4132 20046.2 31
+  661.3895 22129.9 35
+  667.4218 117128.1 185
+  685.389 23823.3 37
+  703.3992 67904.7 107
+//
diff --git a/Eawag/MSBNK-MLU-ED090054.txt b/Eawag/MSBNK-MLU-ED090054.txt
new file mode 100644
index 0000000000..a830559e5c
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED090054.txt
@@ -0,0 +1,67 @@
+ACCESSION: MSBNK-MLU-ED090054
+RECORD_TITLE: Cylindrofridin C; LC-ESI-QFT; MS2; CE: 30%; R=17500; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], M. Preisitsch [dtc], S. Mundt [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 900
+CH$NAME: Cylindrofridin C
+CH$NAME: [(1R,2S,7S)-7-[4-[(1R,2S)-1-acetyloxy-7-chloro-2-methylundecyl]-2,6-dihydroxyphenyl]-1-(3,5-dihydroxyphenyl)-2-methylundecyl] acetate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C40H61ClO8
+CH$EXACT_MASS: 704.4054966
+CH$SMILES: CCCC[C@@H](CCCC[C@H](C)[C@H](C1=CC(=CC(=C1)O)O)OC(=O)C)C2=C(C=C(C=C2O)[C@@H]([C@@H](C)CCCCC(CCCC)Cl)OC(=O)C)O
+CH$IUPAC: InChI=1S/C40H61ClO8/c1-7-9-17-30(18-13-11-15-26(3)39(48-28(5)42)31-21-34(44)25-35(45)22-31)38-36(46)23-32(24-37(38)47)40(49-29(6)43)27(4)16-12-14-20-33(41)19-10-8-2/h21-27,30,33,39-40,44-47H,7-20H2,1-6H3/t26-,27-,30-,33?,39+,40+/m0/s1
+CH$LINK: PUBCHEM CID:127032791
+CH$LINK: INCHIKEY GTRRNAAYKNENPF-ZQUJOIDOSA-N
+CH$LINK: CHEMSPIDER 58915007
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-735
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.092 min
+MS$FOCUSED_ION: BASE_PEAK 703.3983
+MS$FOCUSED_ION: PRECURSOR_M/Z 703.3982
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 5788950.08
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0002-0000091000-5a45fe3671051c2c02ed
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  503.3903 C35H51O2- 1 503.3895 1.7
+  519.3846 C35H51O3- 2 519.3844 0.44
+  529.3694 C36H49O3- 1 529.3687 1.36
+  547.3794 C36H51O4- 2 547.3793 0.23
+  565.3915 C36H53O5- 1 565.3898 2.84
+  579.4059 C37H55O5- 2 579.4055 0.66
+  583.3558 C36H52ClO4- 1 583.356 -0.24
+  589.3906 C38H53O5- 2 589.3898 1.27
+  607.4008 C38H55O6- 2 607.4004 0.65
+  643.3775 C38H56ClO6- 1 643.3771 0.59
+  649.4137 C40H57O7- 1 649.411 4.21
+  667.4214 C40H59O8- 1 667.4215 -0.28
+PK$NUM_PEAK: 12
+PK$PEAK: m/z int. rel.int.
+  503.3903 71862.4 82
+  519.3846 143786.3 164
+  529.3694 44835.5 51
+  547.3794 874867.4 999
+  565.3915 67700.3 77
+  579.4059 15485.6 17
+  583.3558 112082.5 127
+  589.3906 66767.5 76
+  607.4008 181097.4 206
+  643.3775 34348.7 39
+  649.4137 9483.4 10
+  667.4214 11486.7 13
+//
diff --git a/Eawag/MSBNK-MLU-ED090055.txt b/Eawag/MSBNK-MLU-ED090055.txt
new file mode 100644
index 0000000000..f7fe044980
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED090055.txt
@@ -0,0 +1,63 @@
+ACCESSION: MSBNK-MLU-ED090055
+RECORD_TITLE: Cylindrofridin C; LC-ESI-QFT; MS2; CE: 40%; R=17500; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], M. Preisitsch [dtc], S. Mundt [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 900
+CH$NAME: Cylindrofridin C
+CH$NAME: [(1R,2S,7S)-7-[4-[(1R,2S)-1-acetyloxy-7-chloro-2-methylundecyl]-2,6-dihydroxyphenyl]-1-(3,5-dihydroxyphenyl)-2-methylundecyl] acetate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C40H61ClO8
+CH$EXACT_MASS: 704.4054966
+CH$SMILES: CCCC[C@@H](CCCC[C@H](C)[C@H](C1=CC(=CC(=C1)O)O)OC(=O)C)C2=C(C=C(C=C2O)[C@@H]([C@@H](C)CCCCC(CCCC)Cl)OC(=O)C)O
+CH$IUPAC: InChI=1S/C40H61ClO8/c1-7-9-17-30(18-13-11-15-26(3)39(48-28(5)42)31-21-34(44)25-35(45)22-31)38-36(46)23-32(24-37(38)47)40(49-29(6)43)27(4)16-12-14-20-33(41)19-10-8-2/h21-27,30,33,39-40,44-47H,7-20H2,1-6H3/t26-,27-,30-,33?,39+,40+/m0/s1
+CH$LINK: PUBCHEM CID:127032791
+CH$LINK: INCHIKEY GTRRNAAYKNENPF-ZQUJOIDOSA-N
+CH$LINK: CHEMSPIDER 58915007
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-735
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 10.092 min
+MS$FOCUSED_ION: BASE_PEAK 703.3983
+MS$FOCUSED_ION: PRECURSOR_M/Z 703.3982
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 5788950.08
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0002-0000090000-42e7b74e4015c299ef1e
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  149.0602 C9H9O2- 1 149.0608 -4.16
+  231.1752 C16H23O- 1 231.1754 -1.09
+  273.186 C18H25O2- 1 273.186 -0.19
+  315.1963 C20H27O3- 1 315.1966 -1
+  380.198 C24H28O4- 2 380.1993 -3.51
+  503.3895 C35H51O2- 2 503.3895 0.19
+  519.3841 C35H51O3- 2 519.3844 -0.61
+  547.3795 C36H51O4- 2 547.3793 0.45
+  565.3915 C36H53O5- 1 565.3898 2.84
+  583.357 C36H52ClO4- 1 583.356 1.86
+PK$NUM_PEAK: 10
+PK$PEAK: m/z int. rel.int.
+  149.0602 4719.4 13
+  231.1752 15096.3 41
+  273.186 14698.5 40
+  315.1963 7397.6 20
+  380.198 10403.4 28
+  503.3895 87248.5 241
+  519.3841 111867.9 309
+  547.3795 361220.7 999
+  565.3915 30653.4 84
+  583.357 5693.7 15
+//
diff --git a/Eawag/MSBNK-MLU-ED090401.txt b/Eawag/MSBNK-MLU-ED090401.txt
new file mode 100644
index 0000000000..614d3c99ad
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED090401.txt
@@ -0,0 +1,53 @@
+ACCESSION: MSBNK-MLU-ED090401
+RECORD_TITLE: Cyanostatin B; LC-ESI-QFT; MS2; CE: 15%; R=17500; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Enke [dtc], H. Enke [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 904
+CH$NAME: Cyanostatin B
+CH$NAME: (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S,3R)-3-amino-2-hydroxydecanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]-methylamino]-3-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C40H59N5O9
+CH$EXACT_MASS: 753.4312785
+CH$SMILES: CCCCCCC[C@H]([C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N(C)[C@@H]([C@@H](C)CC)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)O)O)N
+CH$IUPAC: InChI=1S/C40H59N5O9/c1-5-7-8-9-10-12-30(41)35(48)37(50)42-31(23-26-14-18-28(46)19-15-26)38(51)44(4)34(25(3)6-2)39(52)45-22-11-13-33(45)36(49)43-32(40(53)54)24-27-16-20-29(47)21-17-27/h14-21,25,30-35,46-48H,5-13,22-24,41H2,1-4H3,(H,42,50)(H,43,49)(H,53,54)/t25-,30+,31-,32-,33-,34-,35-/m0/s1
+CH$LINK: PUBCHEM CID:139586711
+CH$LINK: INCHIKEY BDDHCMIGYUBMCI-YGKFCERESA-N
+CH$LINK: CHEMSPIDER 78437817
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 52-790
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.336 min
+MS$FOCUSED_ION: BASE_PEAK 754.4395
+MS$FOCUSED_ION: PRECURSOR_M/Z 754.4386
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 6508292.59
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-004i-0000900000-2fa6c321363234863c60
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  128.1435 C8H18N+ 1 128.1434 1.23
+  146.1174 C7H16NO2+ 1 146.1176 -0.85
+  331.2017 C19H27N2O3+ 2 331.2016 0.1
+  406.2333 C21H32N3O5+ 2 406.2336 -0.97
+  476.3119 C26H42N3O5+ 2 476.3119 -0.07
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  128.1435 41629.8 11
+  146.1174 77525.2 21
+  331.2017 156404.8 43
+  406.2333 47875.8 13
+  476.3119 3578882 999
+//
diff --git a/Eawag/MSBNK-MLU-ED090402.txt b/Eawag/MSBNK-MLU-ED090402.txt
new file mode 100644
index 0000000000..e1b49b770b
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED090402.txt
@@ -0,0 +1,73 @@
+ACCESSION: MSBNK-MLU-ED090402
+RECORD_TITLE: Cyanostatin B; LC-ESI-QFT; MS2; CE: 20%; R=17500; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Enke [dtc], H. Enke [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 904
+CH$NAME: Cyanostatin B
+CH$NAME: (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S,3R)-3-amino-2-hydroxydecanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]-methylamino]-3-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C40H59N5O9
+CH$EXACT_MASS: 753.4312785
+CH$SMILES: CCCCCCC[C@H]([C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N(C)[C@@H]([C@@H](C)CC)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)O)O)N
+CH$IUPAC: InChI=1S/C40H59N5O9/c1-5-7-8-9-10-12-30(41)35(48)37(50)42-31(23-26-14-18-28(46)19-15-26)38(51)44(4)34(25(3)6-2)39(52)45-22-11-13-33(45)36(49)43-32(40(53)54)24-27-16-20-29(47)21-17-27/h14-21,25,30-35,46-48H,5-13,22-24,41H2,1-4H3,(H,42,50)(H,43,49)(H,53,54)/t25-,30+,31-,32-,33-,34-,35-/m0/s1
+CH$LINK: PUBCHEM CID:139586711
+CH$LINK: INCHIKEY BDDHCMIGYUBMCI-YGKFCERESA-N
+CH$LINK: CHEMSPIDER 78437817
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 52-790
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.336 min
+MS$FOCUSED_ION: BASE_PEAK 754.4395
+MS$FOCUSED_ION: PRECURSOR_M/Z 754.4386
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 6508292.59
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-004i-0403900000-8e971c2af2e8a2a20bd1
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  100.112 C6H14N+ 1 100.1121 -0.85
+  128.1429 C8H18N+ 1 128.1434 -3.89
+  146.1174 C7H16NO2+ 1 146.1176 -0.96
+  158.1536 C9H20NO+ 1 158.1539 -1.88
+  168.138 C10H18NO+ 1 168.1383 -1.8
+  303.2066 C18H27N2O2+ 2 303.2067 -0.43
+  309.1808 C16H25N2O4+ 2 309.1809 -0.18
+  319.1655 C17H23N2O4+ 1 319.1652 0.83
+  331.2014 C19H27N2O3+ 2 331.2016 -0.54
+  349.1749 C16H23N5O4+ 2 349.1745 1.22
+  349.2124 C19H29N2O4+ 2 349.2122 0.5
+  432.322 C25H42N3O3+ 2 432.3221 -0.11
+  448.3177 C27H44O5+ 3 448.3183 -1.49
+  458.301 C26H40N3O4+ 2 458.3013 -0.67
+  476.3118 C26H42N3O5+ 2 476.3119 -0.2
+PK$NUM_PEAK: 15
+PK$PEAK: m/z int. rel.int.
+  100.112 563579 197
+  128.1429 252510.9 88
+  146.1174 430334.8 150
+  158.1536 43404.7 15
+  168.138 260497.4 91
+  303.2066 123962.5 43
+  309.1808 166865.3 58
+  319.1655 34658.7 12
+  331.2014 622927.8 218
+  349.1749 55324.4 19
+  349.2124 208770.9 73
+  432.322 33495.7 11
+  448.3177 60643.2 21
+  458.301 103615.8 36
+  476.3118 2847863.5 999
+//
diff --git a/Eawag/MSBNK-MLU-ED090403.txt b/Eawag/MSBNK-MLU-ED090403.txt
new file mode 100644
index 0000000000..9b82ea1eca
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED090403.txt
@@ -0,0 +1,89 @@
+ACCESSION: MSBNK-MLU-ED090403
+RECORD_TITLE: Cyanostatin B; LC-ESI-QFT; MS2; CE: 25%; R=17500; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Enke [dtc], H. Enke [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 904
+CH$NAME: Cyanostatin B
+CH$NAME: (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S,3R)-3-amino-2-hydroxydecanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]-methylamino]-3-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C40H59N5O9
+CH$EXACT_MASS: 753.4312785
+CH$SMILES: CCCCCCC[C@H]([C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N(C)[C@@H]([C@@H](C)CC)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)O)O)N
+CH$IUPAC: InChI=1S/C40H59N5O9/c1-5-7-8-9-10-12-30(41)35(48)37(50)42-31(23-26-14-18-28(46)19-15-26)38(51)44(4)34(25(3)6-2)39(52)45-22-11-13-33(45)36(49)43-32(40(53)54)24-27-16-20-29(47)21-17-27/h14-21,25,30-35,46-48H,5-13,22-24,41H2,1-4H3,(H,42,50)(H,43,49)(H,53,54)/t25-,30+,31-,32-,33-,34-,35-/m0/s1
+CH$LINK: PUBCHEM CID:139586711
+CH$LINK: INCHIKEY BDDHCMIGYUBMCI-YGKFCERESA-N
+CH$LINK: CHEMSPIDER 78437817
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 52-790
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.336 min
+MS$FOCUSED_ION: BASE_PEAK 754.4395
+MS$FOCUSED_ION: PRECURSOR_M/Z 754.4386
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 6508292.59
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0ufr-0903200000-c0fad29cc7723d8a4ff0
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  58.0652 C3H8N+ 1 58.0651 1.76
+  100.1121 C6H14N+ 1 100.1121 0.14
+  128.1433 C8H18N+ 1 128.1434 -0.44
+  136.0754 C8H10NO+ 1 136.0757 -2.2
+  140.1431 C9H18N+ 1 140.1434 -1.72
+  146.1174 C7H16NO2+ 1 146.1176 -0.85
+  158.154 C9H20NO+ 1 158.1539 0.24
+  168.1382 C10H18NO+ 1 168.1383 -0.8
+  213.1236 C10H17N2O3+ 1 213.1234 0.89
+  274.1436 C16H20NO3+ 2 274.1438 -0.48
+  279.1341 C14H19N2O4+ 1 279.1339 0.49
+  285.1971 C6H29N4O8+ 2 285.198 -3
+  303.2067 C18H27N2O2+ 2 303.2067 0.07
+  309.181 C16H25N2O4+ 2 309.1809 0.31
+  319.1655 C17H23N2O4+ 1 319.1652 0.92
+  331.2015 C19H27N2O3+ 2 331.2016 -0.26
+  349.175 C16H23N5O4+ 2 349.1745 1.49
+  349.2129 C19H29N2O4+ 1 349.2122 2.16
+  406.2338 C21H32N3O5+ 2 406.2336 0.46
+  432.3221 C25H42N3O3+ 2 432.3221 0.03
+  448.3177 C27H44O5+ 3 448.3183 -1.36
+  458.3005 C26H40N3O4+ 3 458.3013 -1.8
+  476.312 C26H42N3O5+ 2 476.3119 0.25
+PK$NUM_PEAK: 23
+PK$PEAK: m/z int. rel.int.
+  58.0652 16429.4 12
+  100.1121 1359532 999
+  128.1433 776078.9 570
+  136.0754 106618.5 78
+  140.1431 64660.2 47
+  146.1174 536380.5 394
+  158.154 100104.8 73
+  168.1382 507225.1 372
+  213.1236 14079.3 10
+  274.1436 74170.7 54
+  279.1341 28067.9 20
+  285.1971 14104.8 10
+  303.2067 226750.7 166
+  309.181 238255.4 175
+  319.1655 30193.1 22
+  331.2015 541750.1 398
+  349.175 77889.7 57
+  349.2129 153163 112
+  406.2338 28771.9 21
+  432.3221 34348.7 25
+  448.3177 56908.2 41
+  458.3005 78115 57
+  476.312 689412.5 506
+//
diff --git a/Eawag/MSBNK-MLU-ED090404.txt b/Eawag/MSBNK-MLU-ED090404.txt
new file mode 100644
index 0000000000..cbeadac18b
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED090404.txt
@@ -0,0 +1,79 @@
+ACCESSION: MSBNK-MLU-ED090404
+RECORD_TITLE: Cyanostatin B; LC-ESI-QFT; MS2; CE: 30%; R=17500; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Enke [dtc], H. Enke [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 904
+CH$NAME: Cyanostatin B
+CH$NAME: (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S,3R)-3-amino-2-hydroxydecanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]-methylamino]-3-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C40H59N5O9
+CH$EXACT_MASS: 753.4312785
+CH$SMILES: CCCCCCC[C@H]([C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N(C)[C@@H]([C@@H](C)CC)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)O)O)N
+CH$IUPAC: InChI=1S/C40H59N5O9/c1-5-7-8-9-10-12-30(41)35(48)37(50)42-31(23-26-14-18-28(46)19-15-26)38(51)44(4)34(25(3)6-2)39(52)45-22-11-13-33(45)36(49)43-32(40(53)54)24-27-16-20-29(47)21-17-27/h14-21,25,30-35,46-48H,5-13,22-24,41H2,1-4H3,(H,42,50)(H,43,49)(H,53,54)/t25-,30+,31-,32-,33-,34-,35-/m0/s1
+CH$LINK: PUBCHEM CID:139586711
+CH$LINK: INCHIKEY BDDHCMIGYUBMCI-YGKFCERESA-N
+CH$LINK: CHEMSPIDER 78437817
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 52-790
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.336 min
+MS$FOCUSED_ION: BASE_PEAK 754.4395
+MS$FOCUSED_ION: PRECURSOR_M/Z 754.4386
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 6508292.59
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0ufr-0901000000-7dd6bf157d296e9abd4b
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  58.0653 C3H8N+ 1 58.0651 3.33
+  100.1121 C6H14N+ 1 100.1121 0.07
+  107.049 C7H7O+ 1 107.0491 -1.23
+  128.1433 C8H18N+ 1 128.1434 -0.32
+  136.0756 C8H10NO+ 1 136.0757 -0.97
+  140.1432 C9H18N+ 1 140.1434 -1.18
+  146.1174 C7H16NO2+ 1 146.1176 -0.85
+  158.1539 C9H20NO+ 1 158.1539 -0.43
+  168.1382 C10H18NO+ 1 168.1383 -0.62
+  194.0814 C10H12NO3+ 1 194.0812 1.01
+  213.1233 C10H17N2O3+ 1 213.1234 -0.19
+  222.0757 C11H12NO4+ 2 222.0761 -1.69
+  274.1437 C16H20NO3+ 2 274.1438 -0.37
+  279.1344 C14H19N2O4+ 1 279.1339 1.69
+  303.2067 C18H27N2O2+ 2 303.2067 -0.03
+  309.1808 C16H25N2O4+ 2 309.1809 -0.18
+  331.2013 C19H27N2O3+ 2 331.2016 -0.91
+  476.3119 C26H42N3O5+ 2 476.3119 -0.07
+PK$NUM_PEAK: 18
+PK$PEAK: m/z int. rel.int.
+  58.0653 43029.5 22
+  100.1121 1897027.1 999
+  107.049 20018.4 10
+  128.1433 1150507.1 605
+  136.0756 226760.1 119
+  140.1432 122233.1 64
+  146.1174 488386.4 257
+  158.1539 136869.5 72
+  168.1382 535769.5 282
+  194.0814 38292.8 20
+  213.1233 22639 11
+  222.0757 27076 14
+  274.1437 124826.4 65
+  279.1344 46247.6 24
+  303.2067 187370.5 98
+  309.1808 157292.8 82
+  331.2013 237297 124
+  476.3119 82678.3 43
+//
diff --git a/Eawag/MSBNK-MLU-ED090405.txt b/Eawag/MSBNK-MLU-ED090405.txt
new file mode 100644
index 0000000000..ac789f7ff9
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED090405.txt
@@ -0,0 +1,73 @@
+ACCESSION: MSBNK-MLU-ED090405
+RECORD_TITLE: Cyanostatin B; LC-ESI-QFT; MS2; CE: 40%; R=17500; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Enke [dtc], H. Enke [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 904
+CH$NAME: Cyanostatin B
+CH$NAME: (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S,3R)-3-amino-2-hydroxydecanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]-methylamino]-3-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C40H59N5O9
+CH$EXACT_MASS: 753.4312785
+CH$SMILES: CCCCCCC[C@H]([C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N(C)[C@@H]([C@@H](C)CC)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)O)O)N
+CH$IUPAC: InChI=1S/C40H59N5O9/c1-5-7-8-9-10-12-30(41)35(48)37(50)42-31(23-26-14-18-28(46)19-15-26)38(51)44(4)34(25(3)6-2)39(52)45-22-11-13-33(45)36(49)43-32(40(53)54)24-27-16-20-29(47)21-17-27/h14-21,25,30-35,46-48H,5-13,22-24,41H2,1-4H3,(H,42,50)(H,43,49)(H,53,54)/t25-,30+,31-,32-,33-,34-,35-/m0/s1
+CH$LINK: PUBCHEM CID:139586711
+CH$LINK: INCHIKEY BDDHCMIGYUBMCI-YGKFCERESA-N
+CH$LINK: CHEMSPIDER 78437817
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 52-790
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.336 min
+MS$FOCUSED_ION: BASE_PEAK 754.4395
+MS$FOCUSED_ION: PRECURSOR_M/Z 754.4386
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 6508292.59
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0ufr-0900000000-2a51d85b37123ba06f01
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  58.0654 C3H8N+ 1 58.0651 4.32
+  69.07 C5H9+ 1 69.0699 1.69
+  100.1121 C6H14N+ 1 100.1121 -0.09
+  107.0493 C7H7O+ 1 107.0491 1.47
+  128.1433 C8H18N+ 1 128.1434 -0.44
+  136.0756 C8H10NO+ 1 136.0757 -0.97
+  140.1432 C9H18N+ 1 140.1434 -1.4
+  146.1174 C7H16NO2+ 1 146.1176 -1.06
+  158.1538 C9H20NO+ 1 158.1539 -1.01
+  168.1382 C10H18NO+ 1 168.1383 -0.8
+  194.0811 C10H12NO3+ 1 194.0812 -0.33
+  213.1227 C10H17N2O3+ 2 213.1234 -3.27
+  274.1436 C16H20NO3+ 2 274.1438 -0.48
+  279.134 C14H19N2O4+ 2 279.1339 0.16
+  321.2176 C18H29N2O3+ 1 321.2173 1.01
+PK$NUM_PEAK: 15
+PK$PEAK: m/z int. rel.int.
+  58.0654 100312.5 46
+  69.07 52395.1 24
+  100.1121 2154347 999
+  107.0493 36771.4 17
+  128.1433 1405398.5 651
+  136.0756 422490.7 195
+  140.1432 148723 68
+  146.1174 328097.8 152
+  158.1538 117658.1 54
+  168.1382 400329.3 185
+  194.0811 96475.7 44
+  213.1227 21597.5 10
+  274.1436 110764.6 51
+  279.134 31096.8 14
+  321.2176 23493.8 10
+//
diff --git a/Eawag/MSBNK-MLU-ED090406.txt b/Eawag/MSBNK-MLU-ED090406.txt
new file mode 100644
index 0000000000..dde232a339
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED090406.txt
@@ -0,0 +1,69 @@
+ACCESSION: MSBNK-MLU-ED090406
+RECORD_TITLE: Cyanostatin B; LC-ESI-QFT; MS2; CE: 50%; R=17500; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Enke [dtc], H. Enke [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 904
+CH$NAME: Cyanostatin B
+CH$NAME: (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S,3R)-3-amino-2-hydroxydecanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]-methylamino]-3-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C40H59N5O9
+CH$EXACT_MASS: 753.4312785
+CH$SMILES: CCCCCCC[C@H]([C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N(C)[C@@H]([C@@H](C)CC)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)O)O)N
+CH$IUPAC: InChI=1S/C40H59N5O9/c1-5-7-8-9-10-12-30(41)35(48)37(50)42-31(23-26-14-18-28(46)19-15-26)38(51)44(4)34(25(3)6-2)39(52)45-22-11-13-33(45)36(49)43-32(40(53)54)24-27-16-20-29(47)21-17-27/h14-21,25,30-35,46-48H,5-13,22-24,41H2,1-4H3,(H,42,50)(H,43,49)(H,53,54)/t25-,30+,31-,32-,33-,34-,35-/m0/s1
+CH$LINK: PUBCHEM CID:139586711
+CH$LINK: INCHIKEY BDDHCMIGYUBMCI-YGKFCERESA-N
+CH$LINK: CHEMSPIDER 78437817
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 52-790
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.336 min
+MS$FOCUSED_ION: BASE_PEAK 754.4395
+MS$FOCUSED_ION: PRECURSOR_M/Z 754.4386
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 6508292.59
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0ufr-0900000000-8ba3801b976dba1df6e5
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  58.0654 C3H8N+ 1 58.0651 3.92
+  69.07 C5H9+ 1 69.0699 2.02
+  70.0652 C4H8N+ 1 70.0651 1.12
+  81.0698 C6H9+ 1 81.0699 -0.5
+  100.1121 C6H14N+ 1 100.1121 0.14
+  128.1433 C8H18N+ 1 128.1434 -0.32
+  136.0756 C8H10NO+ 1 136.0757 -0.75
+  140.1433 C9H18N+ 1 140.1434 -0.42
+  146.1175 C7H16NO2+ 1 146.1176 -0.44
+  158.154 C9H20NO+ 1 158.1539 0.15
+  168.1382 C10H18NO+ 1 168.1383 -0.71
+  194.0812 C10H12NO3+ 1 194.0812 0.14
+  274.1436 C16H20NO3+ 2 274.1438 -0.59
+PK$NUM_PEAK: 13
+PK$PEAK: m/z int. rel.int.
+  58.0654 177025.9 105
+  69.07 118164.8 70
+  70.0652 69849.2 41
+  81.0698 21010 12
+  100.1121 1675870.5 999
+  128.1433 1254931.9 748
+  136.0756 399334.8 238
+  140.1433 82830.3 49
+  146.1175 139828.2 83
+  158.154 47881.6 28
+  168.1382 252853.7 150
+  194.0812 69045.8 41
+  274.1436 43730.5 26
+//
diff --git a/Eawag/MSBNK-MLU-ED090407.txt b/Eawag/MSBNK-MLU-ED090407.txt
new file mode 100644
index 0000000000..f70f2eb8dc
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED090407.txt
@@ -0,0 +1,73 @@
+ACCESSION: MSBNK-MLU-ED090407
+RECORD_TITLE: Cyanostatin B; LC-ESI-QFT; MS2; CE: 60%; R=17500; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Enke [dtc], H. Enke [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 904
+CH$NAME: Cyanostatin B
+CH$NAME: (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S,3R)-3-amino-2-hydroxydecanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]-methylamino]-3-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C40H59N5O9
+CH$EXACT_MASS: 753.4312785
+CH$SMILES: CCCCCCC[C@H]([C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N(C)[C@@H]([C@@H](C)CC)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)O)O)N
+CH$IUPAC: InChI=1S/C40H59N5O9/c1-5-7-8-9-10-12-30(41)35(48)37(50)42-31(23-26-14-18-28(46)19-15-26)38(51)44(4)34(25(3)6-2)39(52)45-22-11-13-33(45)36(49)43-32(40(53)54)24-27-16-20-29(47)21-17-27/h14-21,25,30-35,46-48H,5-13,22-24,41H2,1-4H3,(H,42,50)(H,43,49)(H,53,54)/t25-,30+,31-,32-,33-,34-,35-/m0/s1
+CH$LINK: PUBCHEM CID:139586711
+CH$LINK: INCHIKEY BDDHCMIGYUBMCI-YGKFCERESA-N
+CH$LINK: CHEMSPIDER 78437817
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 52-790
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.336 min
+MS$FOCUSED_ION: BASE_PEAK 754.4395
+MS$FOCUSED_ION: PRECURSOR_M/Z 754.4386
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 6508292.59
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0ufr-2900000000-7d49d2719d9de037c59e
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  56.0497 C3H6N+ 1 56.0495 3.62
+  58.0653 C3H8N+ 1 58.0651 3.6
+  67.0544 C5H7+ 1 67.0542 2.51
+  69.07 C5H9+ 1 69.0699 1.8
+  70.0652 C4H8N+ 1 70.0651 1.55
+  91.0542 C7H7+ 1 91.0542 -0.17
+  100.1121 C6H14N+ 1 100.1121 0.14
+  107.0491 C7H7O+ 1 107.0491 -0.24
+  119.0489 C8H7O+ 1 119.0491 -1.92
+  128.1434 C8H18N+ 1 128.1434 -0.2
+  136.0756 C8H10NO+ 1 136.0757 -0.41
+  158.1541 C9H20NO+ 1 158.1539 1.11
+  168.1382 C10H18NO+ 1 168.1383 -0.53
+  186.0911 C12H12NO+ 1 186.0913 -1.16
+  194.0812 C10H12NO3+ 1 194.0812 -0.09
+PK$NUM_PEAK: 15
+PK$PEAK: m/z int. rel.int.
+  56.0497 37700.7 30
+  58.0653 239588.5 192
+  67.0544 21019.7 16
+  69.07 212817.3 171
+  70.0652 79095.3 63
+  91.0542 57733.8 46
+  100.1121 1240569.5 999
+  107.0491 68456.5 55
+  119.0489 44997.7 36
+  128.1434 799295.8 643
+  136.0756 328706.2 264
+  158.1541 25690 20
+  168.1382 123488.3 99
+  186.0911 14138.4 11
+  194.0812 20786.1 16
+//
diff --git a/Eawag/MSBNK-MLU-ED090451.txt b/Eawag/MSBNK-MLU-ED090451.txt
new file mode 100644
index 0000000000..53cbc40314
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED090451.txt
@@ -0,0 +1,45 @@
+ACCESSION: MSBNK-MLU-ED090451
+RECORD_TITLE: Cyanostatin B; LC-ESI-QFT; MS2; CE: 15%; R=17500; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Enke [dtc], H. Enke [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 904
+CH$NAME: Cyanostatin B
+CH$NAME: (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S,3R)-3-amino-2-hydroxydecanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]-methylamino]-3-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C40H59N5O9
+CH$EXACT_MASS: 753.4312785
+CH$SMILES: CCCCCCC[C@H]([C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N(C)[C@@H]([C@@H](C)CC)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)O)O)N
+CH$IUPAC: InChI=1S/C40H59N5O9/c1-5-7-8-9-10-12-30(41)35(48)37(50)42-31(23-26-14-18-28(46)19-15-26)38(51)44(4)34(25(3)6-2)39(52)45-22-11-13-33(45)36(49)43-32(40(53)54)24-27-16-20-29(47)21-17-27/h14-21,25,30-35,46-48H,5-13,22-24,41H2,1-4H3,(H,42,50)(H,43,49)(H,53,54)/t25-,30+,31-,32-,33-,34-,35-/m0/s1
+CH$LINK: PUBCHEM CID:139586711
+CH$LINK: INCHIKEY BDDHCMIGYUBMCI-YGKFCERESA-N
+CH$LINK: CHEMSPIDER 78437817
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 52-785
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.313 min
+MS$FOCUSED_ION: BASE_PEAK 752.424
+MS$FOCUSED_ION: PRECURSOR_M/Z 752.424
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 1787266
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0udi-0000000900-e88a8f464e7a0f78660d
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  752.4238 C40H58N5O9- 1 752.424 -0.29
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  752.4238 304434.9 999
+//
diff --git a/Eawag/MSBNK-MLU-ED090452.txt b/Eawag/MSBNK-MLU-ED090452.txt
new file mode 100644
index 0000000000..5a98b5a0d1
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED090452.txt
@@ -0,0 +1,47 @@
+ACCESSION: MSBNK-MLU-ED090452
+RECORD_TITLE: Cyanostatin B; LC-ESI-QFT; MS2; CE: 20%; R=17500; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Enke [dtc], H. Enke [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 904
+CH$NAME: Cyanostatin B
+CH$NAME: (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S,3R)-3-amino-2-hydroxydecanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]-methylamino]-3-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C40H59N5O9
+CH$EXACT_MASS: 753.4312785
+CH$SMILES: CCCCCCC[C@H]([C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N(C)[C@@H]([C@@H](C)CC)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)O)O)N
+CH$IUPAC: InChI=1S/C40H59N5O9/c1-5-7-8-9-10-12-30(41)35(48)37(50)42-31(23-26-14-18-28(46)19-15-26)38(51)44(4)34(25(3)6-2)39(52)45-22-11-13-33(45)36(49)43-32(40(53)54)24-27-16-20-29(47)21-17-27/h14-21,25,30-35,46-48H,5-13,22-24,41H2,1-4H3,(H,42,50)(H,43,49)(H,53,54)/t25-,30+,31-,32-,33-,34-,35-/m0/s1
+CH$LINK: PUBCHEM CID:139586711
+CH$LINK: INCHIKEY BDDHCMIGYUBMCI-YGKFCERESA-N
+CH$LINK: CHEMSPIDER 78437817
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 52-785
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.313 min
+MS$FOCUSED_ION: BASE_PEAK 752.424
+MS$FOCUSED_ION: PRECURSOR_M/Z 752.424
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 1787266
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0udi-0000000900-e2d1be5629d30e9172ba
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  277.1188 C14H17N2O4- 2 277.1194 -2.08
+  752.424 C40H58N5O9- 1 752.424 0.03
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  277.1188 19723 84
+  752.424 233881.1 999
+//
diff --git a/Eawag/MSBNK-MLU-ED090453.txt b/Eawag/MSBNK-MLU-ED090453.txt
new file mode 100644
index 0000000000..ff34185754
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED090453.txt
@@ -0,0 +1,55 @@
+ACCESSION: MSBNK-MLU-ED090453
+RECORD_TITLE: Cyanostatin B; LC-ESI-QFT; MS2; CE: 25%; R=17500; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Enke [dtc], H. Enke [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 904
+CH$NAME: Cyanostatin B
+CH$NAME: (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S,3R)-3-amino-2-hydroxydecanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]-methylamino]-3-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C40H59N5O9
+CH$EXACT_MASS: 753.4312785
+CH$SMILES: CCCCCCC[C@H]([C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N(C)[C@@H]([C@@H](C)CC)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)O)O)N
+CH$IUPAC: InChI=1S/C40H59N5O9/c1-5-7-8-9-10-12-30(41)35(48)37(50)42-31(23-26-14-18-28(46)19-15-26)38(51)44(4)34(25(3)6-2)39(52)45-22-11-13-33(45)36(49)43-32(40(53)54)24-27-16-20-29(47)21-17-27/h14-21,25,30-35,46-48H,5-13,22-24,41H2,1-4H3,(H,42,50)(H,43,49)(H,53,54)/t25-,30+,31-,32-,33-,34-,35-/m0/s1
+CH$LINK: PUBCHEM CID:139586711
+CH$LINK: INCHIKEY BDDHCMIGYUBMCI-YGKFCERESA-N
+CH$LINK: CHEMSPIDER 78437817
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 52-785
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.313 min
+MS$FOCUSED_ION: BASE_PEAK 752.424
+MS$FOCUSED_ION: PRECURSOR_M/Z 752.424
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 1787266
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0ufr-0051000900-a0127a7f849664abb8c0
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  233.1296 C13H17N2O2- 1 233.1296 0.24
+  277.1194 C14H17N2O4- 2 277.1194 0.12
+  368.2554 C19H34N3O4- 2 368.2555 -0.15
+  404.2182 C21H30N3O5- 2 404.2191 -2.17
+  646.3805 C33H52N5O8- 2 646.3821 -2.61
+  752.4234 C40H58N5O9- 1 752.424 -0.78
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  233.1296 8533.5 50
+  277.1194 88884.9 525
+  368.2554 30721.7 181
+  404.2182 13672.4 80
+  646.3805 10622.6 62
+  752.4234 169012.2 999
+//
diff --git a/Eawag/MSBNK-MLU-ED090454.txt b/Eawag/MSBNK-MLU-ED090454.txt
new file mode 100644
index 0000000000..a66a4d8d2a
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED090454.txt
@@ -0,0 +1,61 @@
+ACCESSION: MSBNK-MLU-ED090454
+RECORD_TITLE: Cyanostatin B; LC-ESI-QFT; MS2; CE: 30%; R=17500; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Enke [dtc], H. Enke [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 904
+CH$NAME: Cyanostatin B
+CH$NAME: (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S,3R)-3-amino-2-hydroxydecanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]-methylamino]-3-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C40H59N5O9
+CH$EXACT_MASS: 753.4312785
+CH$SMILES: CCCCCCC[C@H]([C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N(C)[C@@H]([C@@H](C)CC)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)O)O)N
+CH$IUPAC: InChI=1S/C40H59N5O9/c1-5-7-8-9-10-12-30(41)35(48)37(50)42-31(23-26-14-18-28(46)19-15-26)38(51)44(4)34(25(3)6-2)39(52)45-22-11-13-33(45)36(49)43-32(40(53)54)24-27-16-20-29(47)21-17-27/h14-21,25,30-35,46-48H,5-13,22-24,41H2,1-4H3,(H,42,50)(H,43,49)(H,53,54)/t25-,30+,31-,32-,33-,34-,35-/m0/s1
+CH$LINK: PUBCHEM CID:139586711
+CH$LINK: INCHIKEY BDDHCMIGYUBMCI-YGKFCERESA-N
+CH$LINK: CHEMSPIDER 78437817
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 52-785
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.313 min
+MS$FOCUSED_ION: BASE_PEAK 752.424
+MS$FOCUSED_ION: PRECURSOR_M/Z 752.424
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 1787266
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-004i-0293000100-10cb270fba6acd077cac
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  113.0705 C3H7N5- 1 113.0707 -1.49
+  119.0485 C6H5N3- 1 119.0489 -3.12
+  171.077 C7H11N2O3- 2 171.0775 -2.9
+  183.1137 C9H15N2O2- 1 183.1139 -1
+  233.1298 C13H17N2O2- 1 233.1296 0.89
+  277.1194 C14H17N2O4- 2 277.1194 -0.1
+  368.255 C19H34N3O4- 2 368.2555 -1.23
+  404.2191 C21H30N3O5- 2 404.2191 -0.06
+  752.4249 C40H58N5O9- 1 752.424 1.25
+PK$NUM_PEAK: 9
+PK$PEAK: m/z int. rel.int.
+  113.0705 11255.3 74
+  119.0485 5957.6 39
+  171.077 12944.2 86
+  183.1137 15260.1 101
+  233.1298 24523.4 163
+  277.1194 150106.5 999
+  368.255 60074.2 399
+  404.2191 16027.7 106
+  752.4249 37370.6 248
+//
diff --git a/Eawag/MSBNK-MLU-ED090455.txt b/Eawag/MSBNK-MLU-ED090455.txt
new file mode 100644
index 0000000000..a97fcf0cf2
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED090455.txt
@@ -0,0 +1,65 @@
+ACCESSION: MSBNK-MLU-ED090455
+RECORD_TITLE: Cyanostatin B; LC-ESI-QFT; MS2; CE: 40%; R=17500; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Enke [dtc], H. Enke [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 904
+CH$NAME: Cyanostatin B
+CH$NAME: (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S,3R)-3-amino-2-hydroxydecanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]-methylamino]-3-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C40H59N5O9
+CH$EXACT_MASS: 753.4312785
+CH$SMILES: CCCCCCC[C@H]([C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N(C)[C@@H]([C@@H](C)CC)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)O)O)N
+CH$IUPAC: InChI=1S/C40H59N5O9/c1-5-7-8-9-10-12-30(41)35(48)37(50)42-31(23-26-14-18-28(46)19-15-26)38(51)44(4)34(25(3)6-2)39(52)45-22-11-13-33(45)36(49)43-32(40(53)54)24-27-16-20-29(47)21-17-27/h14-21,25,30-35,46-48H,5-13,22-24,41H2,1-4H3,(H,42,50)(H,43,49)(H,53,54)/t25-,30+,31-,32-,33-,34-,35-/m0/s1
+CH$LINK: PUBCHEM CID:139586711
+CH$LINK: INCHIKEY BDDHCMIGYUBMCI-YGKFCERESA-N
+CH$LINK: CHEMSPIDER 78437817
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 52-785
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.313 min
+MS$FOCUSED_ION: BASE_PEAK 752.424
+MS$FOCUSED_ION: PRECURSOR_M/Z 752.424
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 1787266
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-003r-0981000000-c4e519c1a069794fc6aa
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  87.0548 CH5N5- 1 87.055 -2.69
+  113.0706 C3H7N5- 1 113.0707 -0.41
+  119.049 C6H5N3- 1 119.0489 0.6
+  163.0397 C9H7O3- 1 163.0401 -2.22
+  171.0773 C7H11N2O3- 1 171.0775 -1.38
+  180.0662 C9H10NO3- 1 180.0666 -2.15
+  183.1136 C9H15N2O2- 1 183.1139 -1.67
+  233.1294 C13H17N2O2- 2 233.1296 -0.81
+  241.1194 C11H17N2O4- 1 241.1194 0.03
+  277.1192 C14H17N2O4- 2 277.1194 -0.54
+  368.2543 C19H34N3O4- 2 368.2555 -3.22
+PK$NUM_PEAK: 11
+PK$PEAK: m/z int. rel.int.
+  87.0548 6070.5 68
+  113.0706 47865.4 538
+  119.049 18596.2 209
+  163.0397 12983.7 146
+  171.0773 29955.5 337
+  180.0662 10227 115
+  183.1136 62907.5 708
+  233.1294 73485.7 827
+  241.1194 10346 116
+  277.1192 88751.8 999
+  368.2543 29943.8 337
+//
diff --git a/Eawag/MSBNK-MLU-ED090456.txt b/Eawag/MSBNK-MLU-ED090456.txt
new file mode 100644
index 0000000000..4cadd85abe
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED090456.txt
@@ -0,0 +1,67 @@
+ACCESSION: MSBNK-MLU-ED090456
+RECORD_TITLE: Cyanostatin B; LC-ESI-QFT; MS2; CE: 50%; R=17500; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Enke [dtc], H. Enke [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 904
+CH$NAME: Cyanostatin B
+CH$NAME: (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S,3R)-3-amino-2-hydroxydecanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]-methylamino]-3-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C40H59N5O9
+CH$EXACT_MASS: 753.4312785
+CH$SMILES: CCCCCCC[C@H]([C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N(C)[C@@H]([C@@H](C)CC)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)O)O)N
+CH$IUPAC: InChI=1S/C40H59N5O9/c1-5-7-8-9-10-12-30(41)35(48)37(50)42-31(23-26-14-18-28(46)19-15-26)38(51)44(4)34(25(3)6-2)39(52)45-22-11-13-33(45)36(49)43-32(40(53)54)24-27-16-20-29(47)21-17-27/h14-21,25,30-35,46-48H,5-13,22-24,41H2,1-4H3,(H,42,50)(H,43,49)(H,53,54)/t25-,30+,31-,32-,33-,34-,35-/m0/s1
+CH$LINK: PUBCHEM CID:139586711
+CH$LINK: INCHIKEY BDDHCMIGYUBMCI-YGKFCERESA-N
+CH$LINK: CHEMSPIDER 78437817
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 52-785
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.313 min
+MS$FOCUSED_ION: BASE_PEAK 752.424
+MS$FOCUSED_ION: PRECURSOR_M/Z 752.424
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 1787266
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-01q9-0920000000-efd446b0c97172fd3b68
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  87.055 CH5N5- 1 87.055 -0.85
+  97.0983 C2H13N2O2- 1 97.0983 0.99
+  113.0707 C3H7N5- 1 113.0707 -0.34
+  119.049 C6H5N3- 1 119.0489 0.85
+  127.0859 C4H9N5- 1 127.0863 -3.44
+  163.0395 C9H7O3- 2 163.0401 -3.53
+  171.0773 C7H11N2O3- 1 171.0775 -1.03
+  180.0665 C9H10NO3- 1 180.0666 -0.79
+  183.1136 C9H15N2O2- 1 183.1139 -1.84
+  233.1295 C13H17N2O2- 1 233.1296 -0.35
+  241.119 C11H17N2O4- 2 241.1194 -1.55
+  277.1196 C14H17N2O4- 1 277.1194 0.89
+PK$NUM_PEAK: 12
+PK$PEAK: m/z int. rel.int.
+  87.055 9700.4 89
+  97.0983 9779.7 89
+  113.0707 108757.9 999
+  119.049 23263.7 213
+  127.0859 8976.1 82
+  163.0395 9245.2 84
+  171.0773 22355.4 205
+  180.0665 10656.7 97
+  183.1136 88301.4 811
+  233.1295 49242 452
+  241.119 4806 44
+  277.1196 13271 121
+//
diff --git a/Eawag/MSBNK-MLU-ED090457.txt b/Eawag/MSBNK-MLU-ED090457.txt
new file mode 100644
index 0000000000..62f55a8a85
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED090457.txt
@@ -0,0 +1,57 @@
+ACCESSION: MSBNK-MLU-ED090457
+RECORD_TITLE: Cyanostatin B; LC-ESI-QFT; MS2; CE: 60%; R=17500; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Enke [dtc], H. Enke [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 904
+CH$NAME: Cyanostatin B
+CH$NAME: (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S,3R)-3-amino-2-hydroxydecanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]-methylamino]-3-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C40H59N5O9
+CH$EXACT_MASS: 753.4312785
+CH$SMILES: CCCCCCC[C@H]([C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N(C)[C@@H]([C@@H](C)CC)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)O)O)N
+CH$IUPAC: InChI=1S/C40H59N5O9/c1-5-7-8-9-10-12-30(41)35(48)37(50)42-31(23-26-14-18-28(46)19-15-26)38(51)44(4)34(25(3)6-2)39(52)45-22-11-13-33(45)36(49)43-32(40(53)54)24-27-16-20-29(47)21-17-27/h14-21,25,30-35,46-48H,5-13,22-24,41H2,1-4H3,(H,42,50)(H,43,49)(H,53,54)/t25-,30+,31-,32-,33-,34-,35-/m0/s1
+CH$LINK: PUBCHEM CID:139586711
+CH$LINK: INCHIKEY BDDHCMIGYUBMCI-YGKFCERESA-N
+CH$LINK: CHEMSPIDER 78437817
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 52-785
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.313 min
+MS$FOCUSED_ION: BASE_PEAK 752.424
+MS$FOCUSED_ION: PRECURSOR_M/Z 752.424
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 1787266
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03e9-0910000000-a6dbf1fd948a44564494
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  87.055 CH5N5- 1 87.055 -0.85
+  113.0706 C3H7N5- 1 113.0707 -0.41
+  119.0489 C6H5N3- 1 119.0489 -0.36
+  127.0863 C4H9N5- 1 127.0863 -0.07
+  171.0772 C7H11N2O3- 1 171.0775 -1.56
+  183.1136 C9H15N2O2- 1 183.1139 -1.59
+  233.1293 C13H17N2O2- 2 233.1296 -1.07
+PK$NUM_PEAK: 7
+PK$PEAK: m/z int. rel.int.
+  87.055 16952.2 146
+  113.0706 115904.6 999
+  119.0489 34064.3 293
+  127.0863 8450.8 72
+  171.0772 7226.4 62
+  183.1136 46979.8 404
+  233.1293 23813.3 205
+//
diff --git a/Eawag/MSBNK-MLU-ED092401.txt b/Eawag/MSBNK-MLU-ED092401.txt
new file mode 100644
index 0000000000..fb29e0f2e7
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED092401.txt
@@ -0,0 +1,46 @@
+ACCESSION: MSBNK-MLU-ED092401
+RECORD_TITLE: Kasumigamide; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+
+DATE: 2024.04.30
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Enke [dtc], H. Enke [dtc], A.  Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 924
+CH$NAME: Kasumigamide
+CH$NAME: (2R,3R)-2-[[(2R)-5-(diaminomethylideneamino)-2-[[(3S,4R)-3-hydroxy-4-[3-[[(2R)-2-hydroxy-3-phenylpropanoyl]amino]propanoylamino]-5-(1H-indol-3-yl)pentanoyl]amino]pentanoyl]amino]-3-hydroxy-3-phenylpropanoic acid
+CH$NAME: (2S,3S)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(3R,4S)-3-hydroxy-4-[3-[[(2S)-2-hydroxy-3-phenylpropanoyl]amino]propanoylamino]-5-(1H-indol-3-yl)pentanoyl]amino]pentanoyl]amino]-3-hydroxy-3-phenylpropanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C40H50N8O9
+CH$EXACT_MASS: 786.3700752
+CH$SMILES: C1=CC=C(C=C1)C[C@@H](C(=O)NCCC(=O)N[C@@H](CC2=CNC3=CC=CC=C32)[C@@H](CC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H]([C@H](C4=CC=CC=C4)O)C(=O)O)O)O
+CH$IUPAC: InChI=1S/C40H50N8O9/c41-40(42)44-18-9-16-29(37(54)48-35(39(56)57)36(53)25-12-5-2-6-13-25)46-34(52)22-31(49)30(21-26-23-45-28-15-8-7-14-27(26)28)47-33(51)17-19-43-38(55)32(50)20-24-10-3-1-4-11-24/h1-8,10-15,23,29-32,35-36,45,49-50,53H,9,16-22H2,(H,43,55)(H,46,52)(H,47,51)(H,48,54)(H,56,57)(H4,41,42,44)/t29-,30-,31+,32-,35-,36-/m0/s1
+CH$LINK: PUBCHEM CID:133562461
+CH$LINK: INCHIKEY WUXSZVRSSSITPJ-XDWCYEPESA-N
+CH$LINK: CHEMSPIDER 8756497
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 54-820
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 2.701 min
+MS$FOCUSED_ION: BASE_PEAK 787.3773
+MS$FOCUSED_ION: PRECURSOR_M/Z 787.3774
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 1076035859.88
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-000i-0000000900-7f1d41c5a436b5eda1fc
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  787.3775 C40H51N8O9+ 1 787.3774 0.14
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  787.3775 480782848 999
+//
diff --git a/Eawag/MSBNK-MLU-ED092402.txt b/Eawag/MSBNK-MLU-ED092402.txt
new file mode 100644
index 0000000000..389564d58c
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED092402.txt
@@ -0,0 +1,52 @@
+ACCESSION: MSBNK-MLU-ED092402
+RECORD_TITLE: Kasumigamide; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+
+DATE: 2024.04.30
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Enke [dtc], H. Enke [dtc], A.  Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 924
+CH$NAME: Kasumigamide
+CH$NAME: (2R,3R)-2-[[(2R)-5-(diaminomethylideneamino)-2-[[(3S,4R)-3-hydroxy-4-[3-[[(2R)-2-hydroxy-3-phenylpropanoyl]amino]propanoylamino]-5-(1H-indol-3-yl)pentanoyl]amino]pentanoyl]amino]-3-hydroxy-3-phenylpropanoic acid
+CH$NAME: (2S,3S)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(3R,4S)-3-hydroxy-4-[3-[[(2S)-2-hydroxy-3-phenylpropanoyl]amino]propanoylamino]-5-(1H-indol-3-yl)pentanoyl]amino]pentanoyl]amino]-3-hydroxy-3-phenylpropanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C40H50N8O9
+CH$EXACT_MASS: 786.3700752
+CH$SMILES: C1=CC=C(C=C1)C[C@@H](C(=O)NCCC(=O)N[C@@H](CC2=CNC3=CC=CC=C32)[C@@H](CC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H]([C@H](C4=CC=CC=C4)O)C(=O)O)O)O
+CH$IUPAC: InChI=1S/C40H50N8O9/c41-40(42)44-18-9-16-29(37(54)48-35(39(56)57)36(53)25-12-5-2-6-13-25)46-34(52)22-31(49)30(21-26-23-45-28-15-8-7-14-27(26)28)47-33(51)17-19-43-38(55)32(50)20-24-10-3-1-4-11-24/h1-8,10-15,23,29-32,35-36,45,49-50,53H,9,16-22H2,(H,43,55)(H,46,52)(H,47,51)(H,48,54)(H,56,57)(H4,41,42,44)/t29-,30-,31+,32-,35-,36-/m0/s1
+CH$LINK: PUBCHEM CID:133562461
+CH$LINK: INCHIKEY WUXSZVRSSSITPJ-XDWCYEPESA-N
+CH$LINK: CHEMSPIDER 8756497
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 54-820
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 2.701 min
+MS$FOCUSED_ION: BASE_PEAK 787.3773
+MS$FOCUSED_ION: PRECURSOR_M/Z 787.3774
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 1076035859.88
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-000i-0000000900-85b57a9ff0609a989602
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  624.3137 C31H42N7O7+ 4 624.314 -0.57
+  681.3361 C33H45N8O8+ 3 681.3355 0.92
+  725.3784 C39H49N8O6+ 1 725.377 2.03
+  787.3778 C40H51N8O9+ 1 787.3774 0.53
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  624.3137 11861060 29
+  681.3361 8964035 22
+  725.3784 8513278 21
+  787.3778 399288320 999
+//
diff --git a/Eawag/MSBNK-MLU-ED092403.txt b/Eawag/MSBNK-MLU-ED092403.txt
new file mode 100644
index 0000000000..b6666f1cce
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED092403.txt
@@ -0,0 +1,74 @@
+ACCESSION: MSBNK-MLU-ED092403
+RECORD_TITLE: Kasumigamide; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+
+DATE: 2024.04.30
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Enke [dtc], H. Enke [dtc], A.  Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 924
+CH$NAME: Kasumigamide
+CH$NAME: (2R,3R)-2-[[(2R)-5-(diaminomethylideneamino)-2-[[(3S,4R)-3-hydroxy-4-[3-[[(2R)-2-hydroxy-3-phenylpropanoyl]amino]propanoylamino]-5-(1H-indol-3-yl)pentanoyl]amino]pentanoyl]amino]-3-hydroxy-3-phenylpropanoic acid
+CH$NAME: (2S,3S)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(3R,4S)-3-hydroxy-4-[3-[[(2S)-2-hydroxy-3-phenylpropanoyl]amino]propanoylamino]-5-(1H-indol-3-yl)pentanoyl]amino]pentanoyl]amino]-3-hydroxy-3-phenylpropanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C40H50N8O9
+CH$EXACT_MASS: 786.3700752
+CH$SMILES: C1=CC=C(C=C1)C[C@@H](C(=O)NCCC(=O)N[C@@H](CC2=CNC3=CC=CC=C32)[C@@H](CC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H]([C@H](C4=CC=CC=C4)O)C(=O)O)O)O
+CH$IUPAC: InChI=1S/C40H50N8O9/c41-40(42)44-18-9-16-29(37(54)48-35(39(56)57)36(53)25-12-5-2-6-13-25)46-34(52)22-31(49)30(21-26-23-45-28-15-8-7-14-27(26)28)47-33(51)17-19-43-38(55)32(50)20-24-10-3-1-4-11-24/h1-8,10-15,23,29-32,35-36,45,49-50,53H,9,16-22H2,(H,43,55)(H,46,52)(H,47,51)(H,48,54)(H,56,57)(H4,41,42,44)/t29-,30-,31+,32-,35-,36-/m0/s1
+CH$LINK: PUBCHEM CID:133562461
+CH$LINK: INCHIKEY WUXSZVRSSSITPJ-XDWCYEPESA-N
+CH$LINK: CHEMSPIDER 8756497
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 54-820
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 2.701 min
+MS$FOCUSED_ION: BASE_PEAK 787.3773
+MS$FOCUSED_ION: PRECURSOR_M/Z 787.3774
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 1076035859.88
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-000i-0000003900-88e20790a7a49dce92a0
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  70.0651 C4H8N+ 1 70.0651 0.31
+  112.0867 C5H10N3+ 1 112.0869 -2.29
+  130.0649 C9H8N+ 1 130.0651 -1.76
+  196.0755 C13H10NO+ 1 196.0757 -1.22
+  220.0967 C12H14NO3+ 1 220.0968 -0.58
+  321.1554 C15H21N4O4+ 3 321.1557 -1.12
+  335.15 C19H19N4O2+ 4 335.1503 -0.63
+  352.177 C19H22N5O2+ 5 352.1768 0.57
+  370.1868 C19H24N5O3+ 3 370.1874 -1.65
+  606.3037 C31H40N7O6+ 5 606.3035 0.38
+  624.3144 C31H42N7O7+ 4 624.314 0.61
+  681.3353 C33H45N8O8+ 2 681.3355 -0.25
+  725.3778 C39H49N8O6+ 2 725.377 1.11
+  769.3683 C40H49N8O8+ 1 769.3668 1.93
+  787.3778 C40H51N8O9+ 1 787.3774 0.61
+PK$NUM_PEAK: 15
+PK$PEAK: m/z int. rel.int.
+  70.0651 1955841.1 12
+  112.0867 2280235.2 14
+  130.0649 4723767 30
+  196.0755 5501423 35
+  220.0967 11544125 73
+  321.1554 3505336 22
+  335.15 2451171.2 15
+  352.177 2157077.2 13
+  370.1868 5284160.5 33
+  606.3037 12412661 79
+  624.3144 31947082 203
+  681.3353 15529326 98
+  725.3778 15434017 98
+  769.3683 5533936 35
+  787.3778 156821984 999
+//
diff --git a/Eawag/MSBNK-MLU-ED092404.txt b/Eawag/MSBNK-MLU-ED092404.txt
new file mode 100644
index 0000000000..cdce211def
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED092404.txt
@@ -0,0 +1,110 @@
+ACCESSION: MSBNK-MLU-ED092404
+RECORD_TITLE: Kasumigamide; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+
+DATE: 2024.04.30
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Enke [dtc], H. Enke [dtc], A.  Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 924
+CH$NAME: Kasumigamide
+CH$NAME: (2R,3R)-2-[[(2R)-5-(diaminomethylideneamino)-2-[[(3S,4R)-3-hydroxy-4-[3-[[(2R)-2-hydroxy-3-phenylpropanoyl]amino]propanoylamino]-5-(1H-indol-3-yl)pentanoyl]amino]pentanoyl]amino]-3-hydroxy-3-phenylpropanoic acid
+CH$NAME: (2S,3S)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(3R,4S)-3-hydroxy-4-[3-[[(2S)-2-hydroxy-3-phenylpropanoyl]amino]propanoylamino]-5-(1H-indol-3-yl)pentanoyl]amino]pentanoyl]amino]-3-hydroxy-3-phenylpropanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C40H50N8O9
+CH$EXACT_MASS: 786.3700752
+CH$SMILES: C1=CC=C(C=C1)C[C@@H](C(=O)NCCC(=O)N[C@@H](CC2=CNC3=CC=CC=C32)[C@@H](CC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H]([C@H](C4=CC=CC=C4)O)C(=O)O)O)O
+CH$IUPAC: InChI=1S/C40H50N8O9/c41-40(42)44-18-9-16-29(37(54)48-35(39(56)57)36(53)25-12-5-2-6-13-25)46-34(52)22-31(49)30(21-26-23-45-28-15-8-7-14-27(26)28)47-33(51)17-19-43-38(55)32(50)20-24-10-3-1-4-11-24/h1-8,10-15,23,29-32,35-36,45,49-50,53H,9,16-22H2,(H,43,55)(H,46,52)(H,47,51)(H,48,54)(H,56,57)(H4,41,42,44)/t29-,30-,31+,32-,35-,36-/m0/s1
+CH$LINK: PUBCHEM CID:133562461
+CH$LINK: INCHIKEY WUXSZVRSSSITPJ-XDWCYEPESA-N
+CH$LINK: CHEMSPIDER 8756497
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 54-820
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 2.701 min
+MS$FOCUSED_ION: BASE_PEAK 787.3773
+MS$FOCUSED_ION: PRECURSOR_M/Z 787.3774
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 1076035859.88
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00di-1972008600-835ad950fb439d097cca
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  60.0556 CH6N3+ 1 60.0556 0.23
+  70.0652 C4H8N+ 1 70.0651 1.4
+  112.0869 C5H10N3+ 1 112.0869 0.23
+  115.0866 C5H11N2O+ 1 115.0866 -0.08
+  130.0651 C9H8N+ 1 130.0651 -0.23
+  140.0819 C6H10N3O+ 1 140.0818 0.09
+  157.1084 C6H13N4O+ 1 157.1084 0.35
+  172.1083 C7H14N3O2+ 1 172.1081 1.61
+  175.1187 C6H15N4O2+ 1 175.119 -1.53
+  178.086 C10H12NO2+ 1 178.0863 -1.37
+  181.0969 C9H13N2O2+ 1 181.0972 -1.23
+  196.0756 C13H10NO+ 1 196.0757 -0.68
+  202.0865 C12H12NO2+ 1 202.0863 1.04
+  213.1022 C13H13N2O+ 1 213.1022 -0.38
+  217.1295 C8H17N4O3+ 1 217.1295 0.04
+  220.0967 C12H14NO3+ 1 220.0968 -0.58
+  222.0879 C10H12N3O3+ 2 222.0873 2.79
+  223.1188 C10H15N4O2+ 1 223.119 -0.79
+  231.1126 C13H15N2O2+ 2 231.1128 -0.95
+  232.1402 C8H18N5O3+ 3 232.1404 -0.91
+  284.1395 C16H18N3O2+ 3 284.1394 0.4
+  285.1228 C16H17N2O3+ 3 285.1234 -1.87
+  321.1557 C15H21N4O4+ 5 321.1557 -0.17
+  335.1503 C19H19N4O2+ 4 335.1503 0.28
+  370.1871 C19H24N5O3+ 4 370.1874 -0.74
+  381.1922 C21H25N4O3+ 4 381.1921 0.27
+  388.1994 C19H26N5O4+ 3 388.1979 3.77
+  606.3033 C31H40N7O6+ 5 606.3035 -0.32
+  624.3144 C31H42N7O7+ 4 624.314 0.61
+  681.3354 C33H45N8O8+ 2 681.3355 -0.16
+  725.378 C39H49N8O6+ 1 725.377 1.45
+  769.3663 C40H49N8O8+ 1 769.3668 -0.61
+  787.3778 C40H51N8O9+ 1 787.3774 0.61
+PK$NUM_PEAK: 33
+PK$PEAK: m/z int. rel.int.
+  60.0556 739687.2 12
+  70.0652 15459759 257
+  112.0869 15066561 250
+  115.0866 6653363.5 110
+  130.0651 33737024 560
+  140.0819 1656801 27
+  157.1084 2018847.1 33
+  172.1083 740521.2 12
+  175.1187 4477622.5 74
+  178.086 6975125 115
+  181.0969 976391.4 16
+  196.0756 28758420 478
+  202.0865 616716 10
+  213.1022 7096538 117
+  217.1295 4896799.5 81
+  220.0967 54443372 905
+  222.0879 649695.9 10
+  223.1188 2724236.8 45
+  231.1126 5941921.5 98
+  232.1402 1129490.9 18
+  284.1395 638242 10
+  285.1228 2467492.2 41
+  321.1557 8406905 139
+  335.1503 8121927.5 135
+  370.1871 12181660 202
+  381.1922 2546992.2 42
+  388.1994 2233277.2 37
+  606.3033 17461164 290
+  624.3144 60082424 999
+  681.3354 18454140 306
+  725.378 17184708 285
+  769.3663 5565113 92
+  787.3778 53431000 888
+//
diff --git a/Eawag/MSBNK-MLU-ED092405.txt b/Eawag/MSBNK-MLU-ED092405.txt
new file mode 100644
index 0000000000..df080890a0
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED092405.txt
@@ -0,0 +1,166 @@
+ACCESSION: MSBNK-MLU-ED092405
+RECORD_TITLE: Kasumigamide; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+
+DATE: 2024.04.30
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Enke [dtc], H. Enke [dtc], A.  Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 924
+CH$NAME: Kasumigamide
+CH$NAME: (2R,3R)-2-[[(2R)-5-(diaminomethylideneamino)-2-[[(3S,4R)-3-hydroxy-4-[3-[[(2R)-2-hydroxy-3-phenylpropanoyl]amino]propanoylamino]-5-(1H-indol-3-yl)pentanoyl]amino]pentanoyl]amino]-3-hydroxy-3-phenylpropanoic acid
+CH$NAME: (2S,3S)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(3R,4S)-3-hydroxy-4-[3-[[(2S)-2-hydroxy-3-phenylpropanoyl]amino]propanoylamino]-5-(1H-indol-3-yl)pentanoyl]amino]pentanoyl]amino]-3-hydroxy-3-phenylpropanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C40H50N8O9
+CH$EXACT_MASS: 786.3700752
+CH$SMILES: C1=CC=C(C=C1)C[C@@H](C(=O)NCCC(=O)N[C@@H](CC2=CNC3=CC=CC=C32)[C@@H](CC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H]([C@H](C4=CC=CC=C4)O)C(=O)O)O)O
+CH$IUPAC: InChI=1S/C40H50N8O9/c41-40(42)44-18-9-16-29(37(54)48-35(39(56)57)36(53)25-12-5-2-6-13-25)46-34(52)22-31(49)30(21-26-23-45-28-15-8-7-14-27(26)28)47-33(51)17-19-43-38(55)32(50)20-24-10-3-1-4-11-24/h1-8,10-15,23,29-32,35-36,45,49-50,53H,9,16-22H2,(H,43,55)(H,46,52)(H,47,51)(H,48,54)(H,56,57)(H4,41,42,44)/t29-,30-,31+,32-,35-,36-/m0/s1
+CH$LINK: PUBCHEM CID:133562461
+CH$LINK: INCHIKEY WUXSZVRSSSITPJ-XDWCYEPESA-N
+CH$LINK: CHEMSPIDER 8756497
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 54-820
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 2.701 min
+MS$FOCUSED_ION: BASE_PEAK 787.3773
+MS$FOCUSED_ION: PRECURSOR_M/Z 787.3774
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 1076035859.88
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00ea-2930000000-5845f955cfc024126226
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  55.0181 C3H3O+ 1 55.0178 4.99
+  60.0559 CH6N3+ 1 60.0556 4.55
+  70.0652 C4H8N+ 1 70.0651 1.62
+  72.0445 C3H6NO+ 1 72.0444 2.01
+  72.0808 C4H10N+ 1 72.0808 -0.12
+  73.0283 C3H5O2+ 1 73.0284 -1.64
+  84.0445 C4H6NO+ 1 84.0444 1.57
+  95.0605 C5H7N2+ 1 95.0604 1.26
+  97.076 C5H9N2+ 1 97.076 -0.38
+  100.0393 C4H6NO2+ 1 100.0393 -0.34
+  105.0698 C8H9+ 1 105.0699 -0.34
+  112.0869 C5H10N3+ 1 112.0869 -0.04
+  113.0709 C5H9N2O+ 1 113.0709 -0.34
+  114.1026 C5H12N3+ 1 114.1026 0.28
+  115.0866 C5H11N2O+ 1 115.0866 -0.14
+  116.0708 C5H10NO2+ 1 116.0706 2.06
+  117.07 C9H9+ 1 117.0699 0.87
+  118.0651 C8H8N+ 1 118.0651 -0.21
+  120.0808 C8H10N+ 1 120.0808 -0.06
+  130.0651 C9H8N+ 1 130.0651 -0.12
+  131.049 C9H7O+ 1 131.0491 -1.05
+  140.0819 C6H10N3O+ 1 140.0818 0.74
+  150.0918 C9H12NO+ 1 150.0913 3.36
+  157.1086 C6H13N4O+ 1 157.1084 1.13
+  158.0923 C6H12N3O2+ 1 158.0924 -0.55
+  168.0805 C12H10N+ 1 168.0808 -1.79
+  170.0595 C11H8NO+ 2 170.06 -2.93
+  170.0967 C12H12N+ 1 170.0964 1.87
+  171.0921 C11H11N2+ 1 171.0917 2.44
+  172.1081 C7H14N3O2+ 1 172.1081 0.45
+  173.0928 C7H13N2O3+ 1 173.0921 4.04
+  175.1191 C6H15N4O2+ 1 175.119 0.65
+  178.0861 C10H12NO2+ 1 178.0863 -1.03
+  180.1132 C9H14N3O+ 1 180.1131 0.48
+  181.0968 C9H13N2O2+ 1 181.0972 -2.07
+  182.0928 C8H12N3O2+ 1 182.0924 2.35
+  196.0756 C13H10NO+ 1 196.0757 -0.44
+  202.0868 C12H12NO2+ 1 202.0863 2.7
+  206.0926 C10H12N3O2+ 1 206.0924 0.92
+  213.1022 C13H13N2O+ 1 213.1022 -0.16
+  214.086 C13H12NO2+ 2 214.0863 -1.4
+  215.1152 C10H17NO4+ 1 215.1152 0.14
+  217.1304 C8H17N4O3+ 2 217.1295 3.97
+  220.0967 C12H14NO3+ 1 220.0968 -0.44
+  223.1189 C10H15N4O2+ 1 223.119 -0.1
+  225.1035 H15N7O7+ 2 225.1027 3.37
+  230.1284 C13H16N3O+ 2 230.1288 -1.8
+  231.1127 C13H15N2O2+ 1 231.1128 -0.29
+  248.1398 C13H18N3O2+ 2 248.1394 1.97
+  259.1557 C14H19N4O+ 2 259.1553 1.54
+  267.1128 C16H15N2O2+ 3 267.1128 -0.07
+  284.1388 C16H18N3O2+ 3 284.1394 -1.86
+  285.1234 C16H17N2O3+ 3 285.1234 0.06
+  321.1563 C15H21N4O4+ 3 321.1557 1.64
+  335.1499 C19H19N4O2+ 3 335.1503 -1.08
+  352.1761 C19H22N5O2+ 3 352.1768 -1.86
+  370.1872 C19H24N5O3+ 4 370.1874 -0.49
+  381.1926 C21H25N4O3+ 4 381.1921 1.39
+  388.1969 C19H26N5O4+ 4 388.1979 -2.59
+  406.1879 C22H24N5O3+ 4 406.1874 1.24
+  424.1985 C22H26N5O4+ 4 424.1979 1.27
+PK$NUM_PEAK: 61
+PK$PEAK: m/z int. rel.int.
+  55.0181 782123.8 12
+  60.0559 2036682.1 31
+  70.0652 33748064 519
+  72.0445 5160837.5 79
+  72.0808 1092592 16
+  73.0283 858305.8 13
+  84.0445 1245329.8 19
+  95.0605 2153610.2 33
+  97.076 1623593 25
+  100.0393 1348939.2 20
+  105.0698 996631.1 15
+  112.0869 18455122 284
+  113.0709 4398245 67
+  114.1026 3516376.8 54
+  115.0866 7579770.5 116
+  116.0708 1688443.2 26
+  117.07 685576.4 10
+  118.0651 2163663 33
+  120.0808 2545864.2 39
+  130.0651 64840884 999
+  131.049 2157084.5 33
+  140.0819 1908202.4 29
+  150.0918 2132232.2 32
+  157.1086 929964.3 14
+  158.0923 4988749.5 76
+  168.0805 3068495 47
+  170.0595 981436.1 15
+  170.0967 923298.6 14
+  171.0921 1086700.6 16
+  172.1081 1285717.1 19
+  173.0928 792338.9 12
+  175.1191 4620791.5 71
+  178.0861 22407578 345
+  180.1132 1559939.2 24
+  181.0968 1558489.6 24
+  182.0928 660525.9 10
+  196.0756 41790728 643
+  202.0868 1599603.9 24
+  206.0926 2418297 37
+  213.1022 10537247 162
+  214.086 1903434 29
+  215.1152 2702033.2 41
+  217.1304 3455972.8 53
+  220.0967 34917496 537
+  223.1189 1340312.1 20
+  225.1035 1452709.5 22
+  230.1284 1619379.6 24
+  231.1127 6220032.5 95
+  248.1398 727360.2 11
+  259.1557 1863511.4 28
+  267.1128 3549904 54
+  284.1388 1148746.1 17
+  285.1234 1704592.8 26
+  321.1563 1819452.8 28
+  335.1499 3112305.8 47
+  352.1761 886119.7 13
+  370.1872 1318638.5 20
+  381.1926 772217.1 11
+  388.1969 967310.4 14
+  406.1879 762860.9 11
+  424.1985 1645413.9 25
+//
diff --git a/Eawag/MSBNK-MLU-ED092406.txt b/Eawag/MSBNK-MLU-ED092406.txt
new file mode 100644
index 0000000000..707d5f6c4d
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED092406.txt
@@ -0,0 +1,142 @@
+ACCESSION: MSBNK-MLU-ED092406
+RECORD_TITLE: Kasumigamide; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+
+DATE: 2024.04.30
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Enke [dtc], H. Enke [dtc], A.  Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 924
+CH$NAME: Kasumigamide
+CH$NAME: (2R,3R)-2-[[(2R)-5-(diaminomethylideneamino)-2-[[(3S,4R)-3-hydroxy-4-[3-[[(2R)-2-hydroxy-3-phenylpropanoyl]amino]propanoylamino]-5-(1H-indol-3-yl)pentanoyl]amino]pentanoyl]amino]-3-hydroxy-3-phenylpropanoic acid
+CH$NAME: (2S,3S)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(3R,4S)-3-hydroxy-4-[3-[[(2S)-2-hydroxy-3-phenylpropanoyl]amino]propanoylamino]-5-(1H-indol-3-yl)pentanoyl]amino]pentanoyl]amino]-3-hydroxy-3-phenylpropanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C40H50N8O9
+CH$EXACT_MASS: 786.3700752
+CH$SMILES: C1=CC=C(C=C1)C[C@@H](C(=O)NCCC(=O)N[C@@H](CC2=CNC3=CC=CC=C32)[C@@H](CC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H]([C@H](C4=CC=CC=C4)O)C(=O)O)O)O
+CH$IUPAC: InChI=1S/C40H50N8O9/c41-40(42)44-18-9-16-29(37(54)48-35(39(56)57)36(53)25-12-5-2-6-13-25)46-34(52)22-31(49)30(21-26-23-45-28-15-8-7-14-27(26)28)47-33(51)17-19-43-38(55)32(50)20-24-10-3-1-4-11-24/h1-8,10-15,23,29-32,35-36,45,49-50,53H,9,16-22H2,(H,43,55)(H,46,52)(H,47,51)(H,48,54)(H,56,57)(H4,41,42,44)/t29-,30-,31+,32-,35-,36-/m0/s1
+CH$LINK: PUBCHEM CID:133562461
+CH$LINK: INCHIKEY WUXSZVRSSSITPJ-XDWCYEPESA-N
+CH$LINK: CHEMSPIDER 8756497
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 54-820
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 2.701 min
+MS$FOCUSED_ION: BASE_PEAK 787.3773
+MS$FOCUSED_ION: PRECURSOR_M/Z 787.3774
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 1076035859.88
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-008a-3910000000-257872f82445f4afd217
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  55.0181 C3H3O+ 1 55.0178 4.44
+  60.0559 CH6N3+ 1 60.0556 4.17
+  70.0652 C4H8N+ 1 70.0651 1.73
+  71.0492 C4H7O+ 1 71.0491 1.09
+  72.0445 C3H6NO+ 1 72.0444 1.48
+  72.081 C4H10N+ 1 72.0808 2.95
+  73.0284 C3H5O2+ 1 73.0284 0.45
+  84.0443 C4H6NO+ 1 84.0444 -1.43
+  91.0543 C7H7+ 1 91.0542 0.44
+  95.0603 C5H7N2+ 1 95.0604 -0.27
+  97.076 C5H9N2+ 1 97.076 0.17
+  100.0393 C4H6NO2+ 1 100.0393 0.27
+  103.0543 C8H7+ 1 103.0542 0.34
+  112.0869 C5H10N3+ 1 112.0869 -0.11
+  113.071 C5H9N2O+ 1 113.0709 0.4
+  114.1026 C5H12N3+ 1 114.1026 0.22
+  115.0866 C5H11N2O+ 1 115.0866 0.19
+  116.0705 C5H10NO2+ 1 116.0706 -0.96
+  117.0699 C9H9+ 1 117.0699 0.55
+  118.0652 C8H8N+ 1 118.0651 0.5
+  120.0809 C8H10N+ 1 120.0808 0.96
+  121.0648 C8H9O+ 1 121.0648 -0.16
+  130.0651 C9H8N+ 1 130.0651 -0.23
+  131.049 C9H7O+ 1 131.0491 -0.7
+  132.0808 C9H10N+ 1 132.0808 0.12
+  144.0807 C10H10N+ 1 144.0808 -0.39
+  150.0914 C9H12NO+ 1 150.0913 0.41
+  154.065 C11H8N+ 1 154.0651 -0.86
+  158.0925 C6H12N3O2+ 1 158.0924 0.42
+  168.0806 C12H10N+ 1 168.0808 -1.25
+  170.0964 C12H12N+ 1 170.0964 -0.19
+  171.091 C11H11N2+ 1 171.0917 -3.8
+  172.1079 C7H14N3O2+ 1 172.1081 -0.7
+  175.1183 C6H15N4O2+ 3 175.119 -3.53
+  178.086 C10H12NO2+ 1 178.0863 -1.63
+  180.113 C9H14N3O+ 1 180.1131 -0.79
+  181.0968 C9H13N2O2+ 1 181.0972 -1.9
+  185.1071 C12H13N2+ 1 185.1073 -1.1
+  195.0917 C13H11N2+ 1 195.0917 -0.11
+  196.0756 C13H10NO+ 1 196.0757 -0.68
+  213.1021 C13H13N2O+ 1 213.1022 -0.59
+  214.0859 C13H12NO2+ 2 214.0863 -1.75
+  215.1157 C10H17NO4+ 2 215.1152 2.41
+  217.1299 C8H17N4O3+ 2 217.1295 1.79
+  220.0966 C12H14NO3+ 2 220.0968 -1.14
+  225.1026 H15N7O7+ 2 225.1027 -0.76
+  230.1282 C13H16N3O+ 2 230.1288 -2.59
+  231.1128 C13H15N2O2+ 1 231.1128 -0.09
+  267.1126 C16H15N2O2+ 3 267.1128 -0.75
+PK$NUM_PEAK: 49
+PK$PEAK: m/z int. rel.int.
+  55.0181 3430131 27
+  60.0559 3230380.8 26
+  70.0652 75805992 616
+  71.0492 1879616.8 15
+  72.0445 15887466 129
+  72.081 2639674.8 21
+  73.0284 1605143 13
+  84.0443 2631519.5 21
+  91.0543 1299621.4 10
+  95.0603 6777946.5 55
+  97.076 3362215.2 27
+  100.0393 2422600.8 19
+  103.0543 2881073.5 23
+  112.0869 21448602 174
+  113.071 3624518.8 29
+  114.1026 5295338 43
+  115.0866 9973812 81
+  116.0705 4368365.5 35
+  117.0699 3226503 26
+  118.0652 5396680 43
+  120.0809 5083736.5 41
+  121.0648 2817856.8 22
+  130.0651 122820720 999
+  131.049 5182333 42
+  132.0808 5408009.5 43
+  144.0807 1575932.5 12
+  150.0914 4926160 40
+  154.065 2093634.6 17
+  158.0925 3990526.5 32
+  168.0806 12683284 103
+  170.0964 3070742.5 24
+  171.091 2408040.5 19
+  172.1079 1635002.2 13
+  175.1183 2923822.5 23
+  178.086 24615458 200
+  180.113 2080350 16
+  181.0968 2559218.2 20
+  185.1071 2531596.5 20
+  195.0917 1792580 14
+  196.0756 61716912 501
+  213.1021 15848967 128
+  214.0859 2432993 19
+  215.1157 1684049.8 13
+  217.1299 1550474 12
+  220.0966 12912003 105
+  225.1026 1840612.8 14
+  230.1282 1535759.1 12
+  231.1128 5468344 44
+  267.1126 2382182.2 19
+//
diff --git a/Eawag/MSBNK-MLU-ED092407.txt b/Eawag/MSBNK-MLU-ED092407.txt
new file mode 100644
index 0000000000..95bcec1652
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED092407.txt
@@ -0,0 +1,108 @@
+ACCESSION: MSBNK-MLU-ED092407
+RECORD_TITLE: Kasumigamide; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+
+DATE: 2024.04.30
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Enke [dtc], H. Enke [dtc], A.  Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 924
+CH$NAME: Kasumigamide
+CH$NAME: (2R,3R)-2-[[(2R)-5-(diaminomethylideneamino)-2-[[(3S,4R)-3-hydroxy-4-[3-[[(2R)-2-hydroxy-3-phenylpropanoyl]amino]propanoylamino]-5-(1H-indol-3-yl)pentanoyl]amino]pentanoyl]amino]-3-hydroxy-3-phenylpropanoic acid
+CH$NAME: (2S,3S)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(3R,4S)-3-hydroxy-4-[3-[[(2S)-2-hydroxy-3-phenylpropanoyl]amino]propanoylamino]-5-(1H-indol-3-yl)pentanoyl]amino]pentanoyl]amino]-3-hydroxy-3-phenylpropanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C40H50N8O9
+CH$EXACT_MASS: 786.3700752
+CH$SMILES: C1=CC=C(C=C1)C[C@@H](C(=O)NCCC(=O)N[C@@H](CC2=CNC3=CC=CC=C32)[C@@H](CC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H]([C@H](C4=CC=CC=C4)O)C(=O)O)O)O
+CH$IUPAC: InChI=1S/C40H50N8O9/c41-40(42)44-18-9-16-29(37(54)48-35(39(56)57)36(53)25-12-5-2-6-13-25)46-34(52)22-31(49)30(21-26-23-45-28-15-8-7-14-27(26)28)47-33(51)17-19-43-38(55)32(50)20-24-10-3-1-4-11-24/h1-8,10-15,23,29-32,35-36,45,49-50,53H,9,16-22H2,(H,43,55)(H,46,52)(H,47,51)(H,48,54)(H,56,57)(H4,41,42,44)/t29-,30-,31+,32-,35-,36-/m0/s1
+CH$LINK: PUBCHEM CID:133562461
+CH$LINK: INCHIKEY WUXSZVRSSSITPJ-XDWCYEPESA-N
+CH$LINK: CHEMSPIDER 8756497
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 54-820
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 2.701 min
+MS$FOCUSED_ION: BASE_PEAK 787.3773
+MS$FOCUSED_ION: PRECURSOR_M/Z 787.3774
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 1076035859.88
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0089-4900000000-8f6195fd6773ab9e390b
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  55.0181 C3H3O+ 1 55.0178 4.99
+  68.0496 C4H6N+ 1 68.0495 2.36
+  70.0653 C4H8N+ 1 70.0651 1.84
+  71.0493 C4H7O+ 1 71.0491 1.84
+  72.0445 C3H6NO+ 1 72.0444 1.48
+  72.0809 C4H10N+ 1 72.0808 1.57
+  73.0285 C3H5O2+ 1 73.0284 0.87
+  84.0443 C4H6NO+ 1 84.0444 -1.06
+  85.076 C4H9N2+ 1 85.076 -0.72
+  95.0604 C5H7N2+ 1 95.0604 0.05
+  97.076 C5H9N2+ 1 97.076 -0.15
+  98.0601 C5H8NO+ 1 98.06 0.47
+  100.0393 C4H6NO2+ 1 100.0393 -0.11
+  103.0542 C8H7+ 1 103.0542 -0.03
+  105.0698 C8H9+ 1 105.0699 -0.34
+  112.0869 C5H10N3+ 1 112.0869 0.16
+  115.0866 C5H11N2O+ 1 115.0866 -0.14
+  117.0698 C9H9+ 1 117.0699 -0.89
+  118.0651 C8H8N+ 1 118.0651 0.11
+  121.0648 C8H9O+ 1 121.0648 0.22
+  130.0651 C9H8N+ 1 130.0651 0
+  131.0491 C9H7O+ 1 131.0491 -0.24
+  132.0807 C9H10N+ 1 132.0808 -0.34
+  158.0928 C6H12N3O2+ 1 158.0924 2.35
+  166.0858 C9H12NO2+ 1 166.0863 -2.76
+  167.0721 C12H9N+ 1 167.073 -4.93
+  168.0806 C12H10N+ 1 168.0808 -0.88
+  171.0914 C11H11N2+ 1 171.0917 -1.75
+  178.0859 C10H12NO2+ 1 178.0863 -1.97
+  196.0755 C13H10NO+ 1 196.0757 -0.91
+  213.1021 C13H13N2O+ 1 213.1022 -0.52
+  220.0966 C12H14NO3+ 2 220.0968 -1.2
+PK$NUM_PEAK: 32
+PK$PEAK: m/z int. rel.int.
+  55.0181 4808573 52
+  68.0496 1009378.2 10
+  70.0653 62360612 675
+  71.0493 3103240.2 33
+  72.0445 12796640 138
+  72.0809 3123744.8 33
+  73.0285 1012863.2 10
+  84.0443 1751800.1 18
+  85.076 1236594.4 13
+  95.0604 5215805.5 56
+  97.076 3753637.5 40
+  98.0601 1045536.1 11
+  100.0393 1441076.9 15
+  103.0542 4897401.5 53
+  105.0698 1167900.5 12
+  112.0869 11808790 127
+  115.0866 4340475 47
+  117.0698 2379198.8 25
+  118.0651 6501803 70
+  121.0648 4830665.5 52
+  130.0651 92212872 999
+  131.0491 4707193 50
+  132.0807 6258060.5 67
+  158.0928 1035492.9 11
+  166.0858 1018224.3 11
+  167.0721 1875909.4 20
+  168.0806 18449282 199
+  171.0914 2684836 29
+  178.0859 4785536.5 51
+  196.0755 30621064 331
+  213.1021 5548781 60
+  220.0966 1057310.5 11
+//
diff --git a/Eawag/MSBNK-MLU-ED092408.txt b/Eawag/MSBNK-MLU-ED092408.txt
new file mode 100644
index 0000000000..fa15fbea50
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED092408.txt
@@ -0,0 +1,118 @@
+ACCESSION: MSBNK-MLU-ED092408
+RECORD_TITLE: Kasumigamide; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+
+DATE: 2024.04.30
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Enke [dtc], H. Enke [dtc], A.  Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 924
+CH$NAME: Kasumigamide
+CH$NAME: (2R,3R)-2-[[(2R)-5-(diaminomethylideneamino)-2-[[(3S,4R)-3-hydroxy-4-[3-[[(2R)-2-hydroxy-3-phenylpropanoyl]amino]propanoylamino]-5-(1H-indol-3-yl)pentanoyl]amino]pentanoyl]amino]-3-hydroxy-3-phenylpropanoic acid
+CH$NAME: (2S,3S)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(3R,4S)-3-hydroxy-4-[3-[[(2S)-2-hydroxy-3-phenylpropanoyl]amino]propanoylamino]-5-(1H-indol-3-yl)pentanoyl]amino]pentanoyl]amino]-3-hydroxy-3-phenylpropanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C40H50N8O9
+CH$EXACT_MASS: 786.3700752
+CH$SMILES: C1=CC=C(C=C1)C[C@@H](C(=O)NCCC(=O)N[C@@H](CC2=CNC3=CC=CC=C32)[C@@H](CC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H]([C@H](C4=CC=CC=C4)O)C(=O)O)O)O
+CH$IUPAC: InChI=1S/C40H50N8O9/c41-40(42)44-18-9-16-29(37(54)48-35(39(56)57)36(53)25-12-5-2-6-13-25)46-34(52)22-31(49)30(21-26-23-45-28-15-8-7-14-27(26)28)47-33(51)17-19-43-38(55)32(50)20-24-10-3-1-4-11-24/h1-8,10-15,23,29-32,35-36,45,49-50,53H,9,16-22H2,(H,43,55)(H,46,52)(H,47,51)(H,48,54)(H,56,57)(H4,41,42,44)/t29-,30-,31+,32-,35-,36-/m0/s1
+CH$LINK: PUBCHEM CID:133562461
+CH$LINK: INCHIKEY WUXSZVRSSSITPJ-XDWCYEPESA-N
+CH$LINK: CHEMSPIDER 8756497
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 54-820
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 2.701 min
+MS$FOCUSED_ION: BASE_PEAK 787.3773
+MS$FOCUSED_ION: PRECURSOR_M/Z 787.3774
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 1076035859.88
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0089-4900000000-5b7ea657bda2b0beef14
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  60.0559 CH6N3+ 1 60.0556 4.48
+  68.0496 C4H6N+ 1 68.0495 2.47
+  70.0653 C4H8N+ 1 70.0651 1.95
+  71.0493 C4H7O+ 1 71.0491 2.91
+  72.0445 C3H6NO+ 1 72.0444 1.69
+  72.0809 C4H10N+ 1 72.0808 1.68
+  73.0287 C3H5O2+ 1 73.0284 4.52
+  85.0758 C4H9N2+ 1 85.076 -2.15
+  91.0543 C7H7+ 1 91.0542 0.61
+  95.0604 C5H7N2+ 1 95.0604 0.54
+  97.0761 C5H9N2+ 1 97.076 1.27
+  98.06 C5H8NO+ 1 98.06 0
+  100.0396 C4H6NO2+ 1 100.0393 2.56
+  103.0542 C8H7+ 1 103.0542 -0.03
+  105.0698 C8H9+ 1 105.0699 -0.41
+  112.087 C5H10N3+ 1 112.0869 0.5
+  114.1028 C5H12N3+ 1 114.1026 2.09
+  115.0865 C5H11N2O+ 1 115.0866 -0.61
+  116.0706 C5H10NO2+ 1 116.0706 0.29
+  117.07 C9H9+ 1 117.0699 0.74
+  118.0653 C8H8N+ 1 118.0651 1.14
+  120.0808 C8H10N+ 1 120.0808 -0.12
+  121.0648 C8H9O+ 1 121.0648 0.35
+  130.0651 C9H8N+ 1 130.0651 0
+  131.0491 C9H7O+ 1 131.0491 -0.24
+  132.0808 C9H10N+ 1 132.0808 0.24
+  144.0807 C10H10N+ 1 144.0808 -0.6
+  154.065 C11H8N+ 1 154.0651 -0.56
+  167.0727 C12H9N+ 1 167.073 -1.74
+  168.0807 C12H10N+ 1 168.0808 -0.7
+  170.0596 C11H8NO+ 1 170.06 -2.3
+  170.0963 C12H12N+ 1 170.0964 -0.64
+  171.0913 C11H11N2+ 1 171.0917 -2.02
+  185.1078 C12H13N2+ 1 185.1073 2.44
+  195.0913 C13H11N2+ 1 195.0917 -1.99
+  196.0755 C13H10NO+ 1 196.0757 -0.83
+  213.1018 C13H13N2O+ 2 213.1022 -2.24
+PK$NUM_PEAK: 37
+PK$PEAK: m/z int. rel.int.
+  60.0559 3728701.5 31
+  68.0496 3172985.2 26
+  70.0653 82638800 696
+  71.0493 3032026.8 25
+  72.0445 14669726 123
+  72.0809 3911404.8 32
+  73.0287 1483618 12
+  85.0758 1666399.5 14
+  91.0543 4450211.5 37
+  95.0604 6346933.5 53
+  97.0761 4182026.2 35
+  98.06 1360965.2 11
+  100.0396 1689474.9 14
+  103.0542 12237212 103
+  105.0698 1666934.8 14
+  112.087 9584016 80
+  114.1028 2206552.8 18
+  115.0865 2589491.8 21
+  116.0706 1411922.2 11
+  117.07 2385268.2 20
+  118.0653 6622989 55
+  120.0808 5468217 46
+  121.0648 5852245.5 49
+  130.0651 118489232 999
+  131.0491 4762426.5 40
+  132.0808 7495770 63
+  144.0807 3655567 30
+  154.065 5003235 42
+  167.0727 6609611.5 55
+  168.0807 31891948 268
+  170.0596 1623519.5 13
+  170.0963 2576085.2 21
+  171.0913 2521984 21
+  185.1078 1766783.5 14
+  195.0913 1556249.2 13
+  196.0755 21488986 181
+  213.1018 2182652.8 18
+//
diff --git a/Eawag/MSBNK-MLU-ED092451.txt b/Eawag/MSBNK-MLU-ED092451.txt
new file mode 100644
index 0000000000..ef110914a1
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED092451.txt
@@ -0,0 +1,48 @@
+ACCESSION: MSBNK-MLU-ED092451
+RECORD_TITLE: Kasumigamide; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M-H]-
+DATE: 2024.04.30
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Enke [dtc], H. Enke [dtc], A.  Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 924
+CH$NAME: Kasumigamide
+CH$NAME: (2R,3R)-2-[[(2R)-5-(diaminomethylideneamino)-2-[[(3S,4R)-3-hydroxy-4-[3-[[(2R)-2-hydroxy-3-phenylpropanoyl]amino]propanoylamino]-5-(1H-indol-3-yl)pentanoyl]amino]pentanoyl]amino]-3-hydroxy-3-phenylpropanoic acid
+CH$NAME: (2S,3S)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(3R,4S)-3-hydroxy-4-[3-[[(2S)-2-hydroxy-3-phenylpropanoyl]amino]propanoylamino]-5-(1H-indol-3-yl)pentanoyl]amino]pentanoyl]amino]-3-hydroxy-3-phenylpropanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C40H50N8O9
+CH$EXACT_MASS: 786.3700752
+CH$SMILES: C1=CC=C(C=C1)C[C@@H](C(=O)NCCC(=O)N[C@@H](CC2=CNC3=CC=CC=C32)[C@@H](CC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H]([C@H](C4=CC=CC=C4)O)C(=O)O)O)O
+CH$IUPAC: InChI=1S/C40H50N8O9/c41-40(42)44-18-9-16-29(37(54)48-35(39(56)57)36(53)25-12-5-2-6-13-25)46-34(52)22-31(49)30(21-26-23-45-28-15-8-7-14-27(26)28)47-33(51)17-19-43-38(55)32(50)20-24-10-3-1-4-11-24/h1-8,10-15,23,29-32,35-36,45,49-50,53H,9,16-22H2,(H,43,55)(H,46,52)(H,47,51)(H,48,54)(H,56,57)(H4,41,42,44)/t29-,30-,31+,32-,35-,36-/m0/s1
+CH$LINK: PUBCHEM CID:133562461
+CH$LINK: INCHIKEY WUXSZVRSSSITPJ-XDWCYEPESA-N
+CH$LINK: CHEMSPIDER 8756497
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 54-820
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 2.721 min
+MS$FOCUSED_ION: BASE_PEAK 785.3628
+MS$FOCUSED_ION: PRECURSOR_M/Z 785.3628
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 395742131.73
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-000i-0000004900-83d33f117d234b7c7175
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  679.3216 C35H45N5O9- 3 679.3223 -0.93
+  785.3631 C40H49N8O9- 1 785.3628 0.34
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  679.3216 9859537 460
+  785.3631 21375560 999
+//
diff --git a/Eawag/MSBNK-MLU-ED092452.txt b/Eawag/MSBNK-MLU-ED092452.txt
new file mode 100644
index 0000000000..3acf16fa1d
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED092452.txt
@@ -0,0 +1,60 @@
+ACCESSION: MSBNK-MLU-ED092452
+RECORD_TITLE: Kasumigamide; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M-H]-
+DATE: 2024.04.30
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Enke [dtc], H. Enke [dtc], A.  Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 924
+CH$NAME: Kasumigamide
+CH$NAME: (2R,3R)-2-[[(2R)-5-(diaminomethylideneamino)-2-[[(3S,4R)-3-hydroxy-4-[3-[[(2R)-2-hydroxy-3-phenylpropanoyl]amino]propanoylamino]-5-(1H-indol-3-yl)pentanoyl]amino]pentanoyl]amino]-3-hydroxy-3-phenylpropanoic acid
+CH$NAME: (2S,3S)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(3R,4S)-3-hydroxy-4-[3-[[(2S)-2-hydroxy-3-phenylpropanoyl]amino]propanoylamino]-5-(1H-indol-3-yl)pentanoyl]amino]pentanoyl]amino]-3-hydroxy-3-phenylpropanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C40H50N8O9
+CH$EXACT_MASS: 786.3700752
+CH$SMILES: C1=CC=C(C=C1)C[C@@H](C(=O)NCCC(=O)N[C@@H](CC2=CNC3=CC=CC=C32)[C@@H](CC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H]([C@H](C4=CC=CC=C4)O)C(=O)O)O)O
+CH$IUPAC: InChI=1S/C40H50N8O9/c41-40(42)44-18-9-16-29(37(54)48-35(39(56)57)36(53)25-12-5-2-6-13-25)46-34(52)22-31(49)30(21-26-23-45-28-15-8-7-14-27(26)28)47-33(51)17-19-43-38(55)32(50)20-24-10-3-1-4-11-24/h1-8,10-15,23,29-32,35-36,45,49-50,53H,9,16-22H2,(H,43,55)(H,46,52)(H,47,51)(H,48,54)(H,56,57)(H4,41,42,44)/t29-,30-,31+,32-,35-,36-/m0/s1
+CH$LINK: PUBCHEM CID:133562461
+CH$LINK: INCHIKEY WUXSZVRSSSITPJ-XDWCYEPESA-N
+CH$LINK: CHEMSPIDER 8756497
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 54-820
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 2.721 min
+MS$FOCUSED_ION: BASE_PEAK 785.3628
+MS$FOCUSED_ION: PRECURSOR_M/Z 785.3628
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 395742131.73
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-004i-0030009200-fe000bf8bac304300798
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  272.1367 C10H18N5O4- 2 272.1364 1.14
+  277.12 C14H17N2O4- 2 277.1194 2.23
+  289.1197 C15H17N2O4- 2 289.1194 1.23
+  406.1781 C24H20N7- 4 406.1786 -1.21
+  514.2432 C26H34N4O7- 5 514.2433 -0.13
+  679.3216 C33H43N8O8- 3 679.3209 0.95
+  680.3218 C39H44N4O7- 3 680.3215 0.4
+  785.363 C40H49N8O9- 1 785.3628 0.26
+PK$NUM_PEAK: 8
+PK$PEAK: m/z int. rel.int.
+  272.1367 5793851.5 295
+  277.12 848532 43
+  289.1197 237548.2 12
+  406.1781 334445 17
+  514.2432 232805.2 11
+  679.3216 19616262 999
+  680.3218 918410.8 46
+  785.363 6350594.5 323
+//
diff --git a/Eawag/MSBNK-MLU-ED092453.txt b/Eawag/MSBNK-MLU-ED092453.txt
new file mode 100644
index 0000000000..b9822c84d9
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED092453.txt
@@ -0,0 +1,80 @@
+ACCESSION: MSBNK-MLU-ED092453
+RECORD_TITLE: Kasumigamide; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M-H]-
+DATE: 2024.04.30
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Enke [dtc], H. Enke [dtc], A.  Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 924
+CH$NAME: Kasumigamide
+CH$NAME: (2R,3R)-2-[[(2R)-5-(diaminomethylideneamino)-2-[[(3S,4R)-3-hydroxy-4-[3-[[(2R)-2-hydroxy-3-phenylpropanoyl]amino]propanoylamino]-5-(1H-indol-3-yl)pentanoyl]amino]pentanoyl]amino]-3-hydroxy-3-phenylpropanoic acid
+CH$NAME: (2S,3S)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(3R,4S)-3-hydroxy-4-[3-[[(2S)-2-hydroxy-3-phenylpropanoyl]amino]propanoylamino]-5-(1H-indol-3-yl)pentanoyl]amino]pentanoyl]amino]-3-hydroxy-3-phenylpropanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C40H50N8O9
+CH$EXACT_MASS: 786.3700752
+CH$SMILES: C1=CC=C(C=C1)C[C@@H](C(=O)NCCC(=O)N[C@@H](CC2=CNC3=CC=CC=C32)[C@@H](CC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H]([C@H](C4=CC=CC=C4)O)C(=O)O)O)O
+CH$IUPAC: InChI=1S/C40H50N8O9/c41-40(42)44-18-9-16-29(37(54)48-35(39(56)57)36(53)25-12-5-2-6-13-25)46-34(52)22-31(49)30(21-26-23-45-28-15-8-7-14-27(26)28)47-33(51)17-19-43-38(55)32(50)20-24-10-3-1-4-11-24/h1-8,10-15,23,29-32,35-36,45,49-50,53H,9,16-22H2,(H,43,55)(H,46,52)(H,47,51)(H,48,54)(H,56,57)(H4,41,42,44)/t29-,30-,31+,32-,35-,36-/m0/s1
+CH$LINK: PUBCHEM CID:133562461
+CH$LINK: INCHIKEY WUXSZVRSSSITPJ-XDWCYEPESA-N
+CH$LINK: CHEMSPIDER 8756497
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 54-820
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 2.721 min
+MS$FOCUSED_ION: BASE_PEAK 785.3628
+MS$FOCUSED_ION: PRECURSOR_M/Z 785.3628
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 395742131.73
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00fr-0190004000-4a47ffd1c7ab9d732428
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  74.0234 H2N4O- 1 74.0234 -0.75
+  112.0389 C3H4N4O- 1 112.0391 -1.09
+  144.1141 C6H14N3O- 1 144.1142 -1.26
+  146.0611 C9H8NO- 1 146.0611 -0.1
+  164.0717 C9H10NO2- 1 164.0717 0.12
+  186.1242 C8H16N3O2- 2 186.1248 -3.21
+  197.1048 C8H13N4O2- 2 197.1044 1.97
+  228.1467 C9H18N5O2- 1 228.1466 0.47
+  255.1102 C10H15N4O4- 3 255.1099 1.2
+  272.1367 C10H18N5O4- 2 272.1364 1.14
+  273.1398 C19H17N2- 2 273.1397 0.46
+  277.1196 C14H17N2O4- 2 277.1194 0.91
+  289.1193 C15H17N2O4- 3 289.1194 -0.35
+  316.1776 C16H22N5O2- 3 316.1779 -1.09
+  406.178 C24H20N7- 4 406.1786 -1.51
+  661.31 C33H41N8O7- 3 661.3104 -0.52
+  679.3214 C33H43N8O8- 2 679.3209 0.68
+  680.3216 C39H44N4O7- 3 680.3215 0.05
+PK$NUM_PEAK: 18
+PK$PEAK: m/z int. rel.int.
+  74.0234 2292584.2 103
+  112.0389 550412.1 24
+  144.1141 241683.2 10
+  146.0611 331305.5 15
+  164.0717 742831.2 33
+  186.1242 1514830.4 68
+  197.1048 862909.4 39
+  228.1467 408304.7 18
+  255.1102 2667150.2 120
+  272.1367 22041714 999
+  273.1398 235746 10
+  277.1196 3632914.5 164
+  289.1193 1072359.1 48
+  316.1776 460575.4 20
+  406.178 577893.7 26
+  661.31 1528842.6 69
+  679.3214 14114567 639
+  680.3216 713497.5 32
+//
diff --git a/Eawag/MSBNK-MLU-ED092454.txt b/Eawag/MSBNK-MLU-ED092454.txt
new file mode 100644
index 0000000000..eadc8815d4
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED092454.txt
@@ -0,0 +1,88 @@
+ACCESSION: MSBNK-MLU-ED092454
+RECORD_TITLE: Kasumigamide; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M-H]-
+DATE: 2024.04.30
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Enke [dtc], H. Enke [dtc], A.  Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 924
+CH$NAME: Kasumigamide
+CH$NAME: (2R,3R)-2-[[(2R)-5-(diaminomethylideneamino)-2-[[(3S,4R)-3-hydroxy-4-[3-[[(2R)-2-hydroxy-3-phenylpropanoyl]amino]propanoylamino]-5-(1H-indol-3-yl)pentanoyl]amino]pentanoyl]amino]-3-hydroxy-3-phenylpropanoic acid
+CH$NAME: (2S,3S)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(3R,4S)-3-hydroxy-4-[3-[[(2S)-2-hydroxy-3-phenylpropanoyl]amino]propanoylamino]-5-(1H-indol-3-yl)pentanoyl]amino]pentanoyl]amino]-3-hydroxy-3-phenylpropanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C40H50N8O9
+CH$EXACT_MASS: 786.3700752
+CH$SMILES: C1=CC=C(C=C1)C[C@@H](C(=O)NCCC(=O)N[C@@H](CC2=CNC3=CC=CC=C32)[C@@H](CC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H]([C@H](C4=CC=CC=C4)O)C(=O)O)O)O
+CH$IUPAC: InChI=1S/C40H50N8O9/c41-40(42)44-18-9-16-29(37(54)48-35(39(56)57)36(53)25-12-5-2-6-13-25)46-34(52)22-31(49)30(21-26-23-45-28-15-8-7-14-27(26)28)47-33(51)17-19-43-38(55)32(50)20-24-10-3-1-4-11-24/h1-8,10-15,23,29-32,35-36,45,49-50,53H,9,16-22H2,(H,43,55)(H,46,52)(H,47,51)(H,48,54)(H,56,57)(H4,41,42,44)/t29-,30-,31+,32-,35-,36-/m0/s1
+CH$LINK: PUBCHEM CID:133562461
+CH$LINK: INCHIKEY WUXSZVRSSSITPJ-XDWCYEPESA-N
+CH$LINK: CHEMSPIDER 8756497
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 54-820
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 2.721 min
+MS$FOCUSED_ION: BASE_PEAK 785.3628
+MS$FOCUSED_ION: PRECURSOR_M/Z 785.3628
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 395742131.73
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00di-1390000000-a541fcd492d74e6579a0
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  72.0077 N4O- 1 72.0078 -0.95
+  74.0234 H2N4O- 1 74.0234 -0.75
+  112.039 C3H4N4O- 1 112.0391 -0.48
+  124.0388 C4H4N4O- 1 124.0391 -1.9
+  144.1137 C6H14N3O- 1 144.1142 -3.8
+  146.0609 C9H8NO- 1 146.0611 -1.87
+  155.0825 C7H11N2O2- 1 155.0826 -0.33
+  168.1143 C8H14N3O- 1 168.1142 0.58
+  169.1098 C7H13N4O- 1 169.1095 2.11
+  180.0784 C8H10N3O2- 2 180.0779 2.83
+  186.1243 C8H16N3O2- 2 186.1248 -2.56
+  197.1044 C8H13N4O2- 1 197.1044 0.19
+  211.1204 C9H15N4O2- 2 211.12 1.89
+  228.1466 C9H18N5O2- 1 228.1466 0.07
+  230.1254 C8H16N5O3- 3 230.1259 -1.85
+  238.1314 C10H16N5O2- 2 238.1309 1.84
+  255.1104 C10H15N4O4- 3 255.1099 1.86
+  272.137 C10H18N5O4- 2 272.1364 1.93
+  277.1198 C14H17N2O4- 2 277.1194 1.57
+  289.1198 C15H17N2O4- 2 289.1194 1.55
+  661.3109 C33H41N8O7- 3 661.3104 0.78
+  679.3218 C35H45N5O9- 3 679.3223 -0.66
+PK$NUM_PEAK: 22
+PK$PEAK: m/z int. rel.int.
+  72.0077 436894.4 26
+  74.0234 4848449 291
+  112.039 1668193.1 100
+  124.0388 323021.4 19
+  144.1137 1012916.3 60
+  146.0609 701565.6 42
+  155.0825 400082.7 24
+  168.1143 413715.8 24
+  169.1098 279921.1 16
+  180.0784 809865.8 48
+  186.1243 3720851.5 223
+  197.1044 1162210.2 69
+  211.1204 234175.4 14
+  228.1466 520464.6 31
+  230.1254 1187725.5 71
+  238.1314 242088.2 14
+  255.1104 3933261.2 236
+  272.137 16625151 999
+  277.1198 3734558.5 224
+  289.1198 946259.9 56
+  661.3109 793260.9 47
+  679.3218 1905416.4 114
+//
diff --git a/Eawag/MSBNK-MLU-ED092455.txt b/Eawag/MSBNK-MLU-ED092455.txt
new file mode 100644
index 0000000000..389380cf3b
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED092455.txt
@@ -0,0 +1,100 @@
+ACCESSION: MSBNK-MLU-ED092455
+RECORD_TITLE: Kasumigamide; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M-H]-
+DATE: 2024.04.30
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Enke [dtc], H. Enke [dtc], A.  Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 924
+CH$NAME: Kasumigamide
+CH$NAME: (2R,3R)-2-[[(2R)-5-(diaminomethylideneamino)-2-[[(3S,4R)-3-hydroxy-4-[3-[[(2R)-2-hydroxy-3-phenylpropanoyl]amino]propanoylamino]-5-(1H-indol-3-yl)pentanoyl]amino]pentanoyl]amino]-3-hydroxy-3-phenylpropanoic acid
+CH$NAME: (2S,3S)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(3R,4S)-3-hydroxy-4-[3-[[(2S)-2-hydroxy-3-phenylpropanoyl]amino]propanoylamino]-5-(1H-indol-3-yl)pentanoyl]amino]pentanoyl]amino]-3-hydroxy-3-phenylpropanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C40H50N8O9
+CH$EXACT_MASS: 786.3700752
+CH$SMILES: C1=CC=C(C=C1)C[C@@H](C(=O)NCCC(=O)N[C@@H](CC2=CNC3=CC=CC=C32)[C@@H](CC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H]([C@H](C4=CC=CC=C4)O)C(=O)O)O)O
+CH$IUPAC: InChI=1S/C40H50N8O9/c41-40(42)44-18-9-16-29(37(54)48-35(39(56)57)36(53)25-12-5-2-6-13-25)46-34(52)22-31(49)30(21-26-23-45-28-15-8-7-14-27(26)28)47-33(51)17-19-43-38(55)32(50)20-24-10-3-1-4-11-24/h1-8,10-15,23,29-32,35-36,45,49-50,53H,9,16-22H2,(H,43,55)(H,46,52)(H,47,51)(H,48,54)(H,56,57)(H4,41,42,44)/t29-,30-,31+,32-,35-,36-/m0/s1
+CH$LINK: PUBCHEM CID:133562461
+CH$LINK: INCHIKEY WUXSZVRSSSITPJ-XDWCYEPESA-N
+CH$LINK: CHEMSPIDER 8756497
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 54-820
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 2.721 min
+MS$FOCUSED_ION: BASE_PEAK 785.3628
+MS$FOCUSED_ION: PRECURSOR_M/Z 785.3628
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 395742131.73
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00dr-3920000000-f0687288356c6939c631
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  58.0286 H2N4- 1 58.0285 1.98
+  72.0077 N4O- 1 72.0078 -0.63
+  72.044 CH4N4- 1 72.0441 -2.66
+  74.0234 H2N4O- 1 74.0234 -0.44
+  82.0286 C2H2N4- 1 82.0285 0.76
+  98.0599 C3H6N4- 1 98.0598 0.82
+  110.0597 C4H6N4- 1 110.0598 -0.86
+  112.0389 C3H4N4O- 1 112.0391 -1.09
+  113.0707 C3H7N5- 1 113.0707 0.19
+  124.039 C4H4N4O- 1 124.0391 -0.86
+  127.0866 C4H9N5- 1 127.0863 1.71
+  144.1141 C6H14N3O- 1 144.1142 -1.26
+  146.061 C9H8NO- 1 146.0611 -1.24
+  155.0825 C7H11N2O2- 1 155.0826 -0.63
+  164.0718 C9H10NO2- 1 164.0717 0.4
+  168.1145 C8H14N3O- 1 168.1142 1.48
+  169.1095 C7H13N4O- 1 169.1095 0.3
+  170.0937 C7H12N3O2- 1 170.0935 0.94
+  180.0782 C8H10N3O2- 1 180.0779 1.81
+  186.1244 C8H16N3O2- 2 186.1248 -2.31
+  188.1038 C7H14N3O3- 1 188.1041 -1.17
+  197.1046 C8H13N4O2- 1 197.1044 0.96
+  211.1203 C9H15N4O2- 1 211.12 1.24
+  213.0993 C8H13N4O3- 1 213.0993 -0.18
+  230.1256 C8H16N5O3- 3 230.1259 -1.25
+  232.1457 C13H18N3O- 1 232.1455 0.66
+  255.1099 C10H15N4O4- 1 255.1099 0.18
+  272.1368 C10H18N5O4- 2 272.1364 1.37
+PK$NUM_PEAK: 28
+PK$PEAK: m/z int. rel.int.
+  58.0286 355838.3 43
+  72.0077 1920529 234
+  72.044 125511.8 15
+  74.0234 8167146 999
+  82.0286 405621.6 49
+  98.0599 116635.5 14
+  110.0597 389999.5 47
+  112.0389 3501098 428
+  113.0707 335726.4 41
+  124.039 490600.7 60
+  127.0866 192994.9 23
+  144.1141 5328989.5 651
+  146.061 2806613.2 343
+  155.0825 1082534.8 132
+  164.0718 2123429 259
+  168.1145 1079372.5 132
+  169.1095 755707.8 92
+  170.0937 582223 71
+  180.0782 956452.9 116
+  186.1244 7263175.5 888
+  188.1038 302644 37
+  197.1046 338215.2 41
+  211.1203 310091.8 37
+  213.0993 551776.5 67
+  230.1256 854441.2 104
+  232.1457 162255.5 19
+  255.1099 1806553.1 220
+  272.1368 2519315.2 308
+//
diff --git a/Eawag/MSBNK-MLU-ED092456.txt b/Eawag/MSBNK-MLU-ED092456.txt
new file mode 100644
index 0000000000..f6f6f273c1
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED092456.txt
@@ -0,0 +1,92 @@
+ACCESSION: MSBNK-MLU-ED092456
+RECORD_TITLE: Kasumigamide; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M-H]-
+DATE: 2024.04.30
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Enke [dtc], H. Enke [dtc], A.  Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 924
+CH$NAME: Kasumigamide
+CH$NAME: (2R,3R)-2-[[(2R)-5-(diaminomethylideneamino)-2-[[(3S,4R)-3-hydroxy-4-[3-[[(2R)-2-hydroxy-3-phenylpropanoyl]amino]propanoylamino]-5-(1H-indol-3-yl)pentanoyl]amino]pentanoyl]amino]-3-hydroxy-3-phenylpropanoic acid
+CH$NAME: (2S,3S)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(3R,4S)-3-hydroxy-4-[3-[[(2S)-2-hydroxy-3-phenylpropanoyl]amino]propanoylamino]-5-(1H-indol-3-yl)pentanoyl]amino]pentanoyl]amino]-3-hydroxy-3-phenylpropanoic acid
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C40H50N8O9
+CH$EXACT_MASS: 786.3700752
+CH$SMILES: C1=CC=C(C=C1)C[C@@H](C(=O)NCCC(=O)N[C@@H](CC2=CNC3=CC=CC=C32)[C@@H](CC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H]([C@H](C4=CC=CC=C4)O)C(=O)O)O)O
+CH$IUPAC: InChI=1S/C40H50N8O9/c41-40(42)44-18-9-16-29(37(54)48-35(39(56)57)36(53)25-12-5-2-6-13-25)46-34(52)22-31(49)30(21-26-23-45-28-15-8-7-14-27(26)28)47-33(51)17-19-43-38(55)32(50)20-24-10-3-1-4-11-24/h1-8,10-15,23,29-32,35-36,45,49-50,53H,9,16-22H2,(H,43,55)(H,46,52)(H,47,51)(H,48,54)(H,56,57)(H4,41,42,44)/t29-,30-,31+,32-,35-,36-/m0/s1
+CH$LINK: PUBCHEM CID:133562461
+CH$LINK: INCHIKEY WUXSZVRSSSITPJ-XDWCYEPESA-N
+CH$LINK: CHEMSPIDER 8756497
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 54-820
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 2.721 min
+MS$FOCUSED_ION: BASE_PEAK 785.3628
+MS$FOCUSED_ION: PRECURSOR_M/Z 785.3628
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 395742131.73
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-006x-3900000000-b9cf6080eebb71ec6d4e
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  58.0286 H2N4- 1 58.0285 1.72
+  72.0078 N4O- 1 72.0078 0.01
+  72.0443 CH4N4- 1 72.0441 1.58
+  74.0234 H2N4O- 1 74.0234 -0.55
+  82.0285 C2H2N4- 1 82.0285 -0.36
+  98.0596 C3H6N4- 1 98.0598 -1.59
+  110.0597 C4H6N4- 1 110.0598 -0.72
+  112.0389 C3H4N4O- 1 112.0391 -1.03
+  113.0704 C3H7N5- 1 113.0707 -2.37
+  124.0393 C4H4N4O- 1 124.0391 1.79
+  127.0868 C4H9N5- 1 127.0863 3.21
+  129.0657 C3H7N5O- 1 129.0656 1.08
+  144.114 C6H14N3O- 1 144.1142 -1.69
+  146.0609 C9H8NO- 1 146.0611 -1.45
+  155.0826 C7H11N2O2- 1 155.0826 -0.13
+  168.1143 C8H14N3O- 1 168.1142 0.12
+  169.1093 C7H13N4O- 1 169.1095 -1.23
+  170.0934 C7H12N3O2- 1 170.0935 -0.5
+  180.0782 C8H10N3O2- 1 180.0779 1.73
+  186.1244 C8H16N3O2- 2 186.1248 -2.23
+  188.1039 C7H14N3O3- 1 188.1041 -0.68
+  213.0995 C8H13N4O3- 1 213.0993 0.89
+  232.146 C13H18N3O- 2 232.1455 2.17
+  255.1102 C10H15N4O4- 3 255.1099 1.26
+PK$NUM_PEAK: 24
+PK$PEAK: m/z int. rel.int.
+  58.0286 669586.3 59
+  72.0078 2739504 243
+  72.0443 157742.8 14
+  74.0234 6298138 559
+  82.0285 632481.9 56
+  98.0596 479434.6 42
+  110.0597 441839.4 39
+  112.0389 2727824.8 242
+  113.0704 972793.9 86
+  124.0393 249410.1 22
+  127.0868 484657.5 43
+  129.0657 152833.5 13
+  144.114 11240704 999
+  146.0609 3520563.2 312
+  155.0826 1013145.7 90
+  168.1143 1105069 98
+  169.1093 372400.7 33
+  170.0934 589852.8 52
+  180.0782 263106.4 23
+  186.1244 3825267.8 339
+  188.1039 300248.1 26
+  213.0995 445508.6 39
+  232.146 293488.5 26
+  255.1102 119887.7 10
+//
diff --git a/Eawag/MSBNK-MLU-ED096151.txt b/Eawag/MSBNK-MLU-ED096151.txt
new file mode 100644
index 0000000000..1f600ea886
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED096151.txt
@@ -0,0 +1,47 @@
+ACCESSION: MSBNK-MLU-ED096151
+RECORD_TITLE: Cylindrofridin B; LC-ESI-QFT; MS2; CE: 15%; R=17500; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], M. Preisitsch [dtc], S. Mundt [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 961
+CH$NAME: Cylindrofridin B
+CH$NAME: [(1R,2S,7S)-7-[4-[(1R,2S)-7-chloro-1-hydroxy-2-methylundecyl]-2,6-dihydroxyphenyl]-1-(3,5-dihydroxyphenyl)-2-methylundecyl] acetate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C38H59ClO7
+CH$EXACT_MASS: 662.3949319
+CH$SMILES: CCCC[C@@H](CCCC[C@H](C)[C@H](C1=CC(=CC(=C1)O)O)OC(=O)C)C2=C(C=C(C=C2O)[C@@H]([C@@H](C)CCCCC(CCCC)Cl)O)O
+CH$IUPAC: InChI=1S/C38H59ClO7/c1-6-8-16-28(17-12-10-15-26(4)38(46-27(5)40)30-20-32(41)24-33(42)21-30)36-34(43)22-29(23-35(36)44)37(45)25(3)14-11-13-19-31(39)18-9-7-2/h20-26,28,31,37-38,41-45H,6-19H2,1-5H3/t25-,26-,28-,31?,37+,38+/m0/s1
+CH$LINK: PUBCHEM CID:127032790
+CH$LINK: INCHIKEY OALOPYYRKWCJGW-KIWBYYFGSA-N
+CH$LINK: CHEMSPIDER 58915006
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-695
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.981 min
+MS$FOCUSED_ION: BASE_PEAK 661.3876
+MS$FOCUSED_ION: PRECURSOR_M/Z 661.3877
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 8739100.81
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03di-0000009000-3417df324ca8a6691f93
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  625.411 C38H57O7- 1 625.411 -0.03
+  661.3879 C38H58ClO7- 1 661.3877 0.31
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  625.411 574289.9 193
+  661.3879 2962129.8 999
+//
diff --git a/Eawag/MSBNK-MLU-ED096152.txt b/Eawag/MSBNK-MLU-ED096152.txt
new file mode 100644
index 0000000000..c4829550cf
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED096152.txt
@@ -0,0 +1,53 @@
+ACCESSION: MSBNK-MLU-ED096152
+RECORD_TITLE: Cylindrofridin B; LC-ESI-QFT; MS2; CE: 20%; R=17500; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], M. Preisitsch [dtc], S. Mundt [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 961
+CH$NAME: Cylindrofridin B
+CH$NAME: [(1R,2S,7S)-7-[4-[(1R,2S)-7-chloro-1-hydroxy-2-methylundecyl]-2,6-dihydroxyphenyl]-1-(3,5-dihydroxyphenyl)-2-methylundecyl] acetate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C38H59ClO7
+CH$EXACT_MASS: 662.3949319
+CH$SMILES: CCCC[C@@H](CCCC[C@H](C)[C@H](C1=CC(=CC(=C1)O)O)OC(=O)C)C2=C(C=C(C=C2O)[C@@H]([C@@H](C)CCCCC(CCCC)Cl)O)O
+CH$IUPAC: InChI=1S/C38H59ClO7/c1-6-8-16-28(17-12-10-15-26(4)38(46-27(5)40)30-20-32(41)24-33(42)21-30)36-34(43)22-29(23-35(36)44)37(45)25(3)14-11-13-19-31(39)18-9-7-2/h20-26,28,31,37-38,41-45H,6-19H2,1-5H3/t25-,26-,28-,31?,37+,38+/m0/s1
+CH$LINK: PUBCHEM CID:127032790
+CH$LINK: INCHIKEY OALOPYYRKWCJGW-KIWBYYFGSA-N
+CH$LINK: CHEMSPIDER 58915006
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-695
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.981 min
+MS$FOCUSED_ION: BASE_PEAK 661.3876
+MS$FOCUSED_ION: PRECURSOR_M/Z 661.3877
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 8739100.81
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03fr-0000009000-89cd07e5b85cee1098b8
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  565.3896 C30H58ClO7- 2 565.3877 3.48
+  601.3657 C36H54ClO5- 1 601.3665 -1.33
+  625.4109 C38H57O7- 1 625.411 -0.13
+  643.3769 C38H56ClO6- 1 643.3771 -0.36
+  661.3879 C38H58ClO7- 1 661.3877 0.41
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  565.3896 264880.5 170
+  601.3657 76059.9 48
+  625.4109 1317236.8 847
+  643.3769 40195.3 25
+  661.3879 1552861.1 999
+//
diff --git a/Eawag/MSBNK-MLU-ED096153.txt b/Eawag/MSBNK-MLU-ED096153.txt
new file mode 100644
index 0000000000..ab53d5cfe6
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED096153.txt
@@ -0,0 +1,59 @@
+ACCESSION: MSBNK-MLU-ED096153
+RECORD_TITLE: Cylindrofridin B; LC-ESI-QFT; MS2; CE: 25%; R=17500; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], M. Preisitsch [dtc], S. Mundt [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 961
+CH$NAME: Cylindrofridin B
+CH$NAME: [(1R,2S,7S)-7-[4-[(1R,2S)-7-chloro-1-hydroxy-2-methylundecyl]-2,6-dihydroxyphenyl]-1-(3,5-dihydroxyphenyl)-2-methylundecyl] acetate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C38H59ClO7
+CH$EXACT_MASS: 662.3949319
+CH$SMILES: CCCC[C@@H](CCCC[C@H](C)[C@H](C1=CC(=CC(=C1)O)O)OC(=O)C)C2=C(C=C(C=C2O)[C@@H]([C@@H](C)CCCCC(CCCC)Cl)O)O
+CH$IUPAC: InChI=1S/C38H59ClO7/c1-6-8-16-28(17-12-10-15-26(4)38(46-27(5)40)30-20-32(41)24-33(42)21-30)36-34(43)22-29(23-35(36)44)37(45)25(3)14-11-13-19-31(39)18-9-7-2/h20-26,28,31,37-38,41-45H,6-19H2,1-5H3/t25-,26-,28-,31?,37+,38+/m0/s1
+CH$LINK: PUBCHEM CID:127032790
+CH$LINK: INCHIKEY OALOPYYRKWCJGW-KIWBYYFGSA-N
+CH$LINK: CHEMSPIDER 58915006
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-695
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.981 min
+MS$FOCUSED_ION: BASE_PEAK 661.3876
+MS$FOCUSED_ION: PRECURSOR_M/Z 661.3877
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 8739100.81
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00or-0000059000-239aaef55a7b557ccbc8
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  537.3947 C35H53O4- 2 537.3949 -0.45
+  547.3773 C30H56ClO6- 2 547.3771 0.44
+  565.3895 C30H58ClO7- 2 565.3877 3.26
+  583.4009 C36H55O6- 1 583.4004 0.88
+  601.3656 C36H54ClO5- 1 601.3665 -1.53
+  607.4011 C38H55O6- 1 607.4004 1.06
+  625.4107 C38H57O7- 1 625.411 -0.42
+  661.3876 C38H58ClO7- 1 661.3877 -0.15
+PK$NUM_PEAK: 8
+PK$PEAK: m/z int. rel.int.
+  537.3947 71996.5 53
+  547.3773 20055.7 14
+  565.3895 1076040 794
+  583.4009 67666 49
+  601.3656 111806.4 82
+  607.4011 148800.6 109
+  625.4107 1352249.5 999
+  661.3876 550106.6 406
+//
diff --git a/Eawag/MSBNK-MLU-ED096154.txt b/Eawag/MSBNK-MLU-ED096154.txt
new file mode 100644
index 0000000000..b750e28ae2
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED096154.txt
@@ -0,0 +1,61 @@
+ACCESSION: MSBNK-MLU-ED096154
+RECORD_TITLE: Cylindrofridin B; LC-ESI-QFT; MS2; CE: 30%; R=17500; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], M. Preisitsch [dtc], S. Mundt [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 961
+CH$NAME: Cylindrofridin B
+CH$NAME: [(1R,2S,7S)-7-[4-[(1R,2S)-7-chloro-1-hydroxy-2-methylundecyl]-2,6-dihydroxyphenyl]-1-(3,5-dihydroxyphenyl)-2-methylundecyl] acetate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C38H59ClO7
+CH$EXACT_MASS: 662.3949319
+CH$SMILES: CCCC[C@@H](CCCC[C@H](C)[C@H](C1=CC(=CC(=C1)O)O)OC(=O)C)C2=C(C=C(C=C2O)[C@@H]([C@@H](C)CCCCC(CCCC)Cl)O)O
+CH$IUPAC: InChI=1S/C38H59ClO7/c1-6-8-16-28(17-12-10-15-26(4)38(46-27(5)40)30-20-32(41)24-33(42)21-30)36-34(43)22-29(23-35(36)44)37(45)25(3)14-11-13-19-31(39)18-9-7-2/h20-26,28,31,37-38,41-45H,6-19H2,1-5H3/t25-,26-,28-,31?,37+,38+/m0/s1
+CH$LINK: PUBCHEM CID:127032790
+CH$LINK: INCHIKEY OALOPYYRKWCJGW-KIWBYYFGSA-N
+CH$LINK: CHEMSPIDER 58915006
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-695
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.981 min
+MS$FOCUSED_ION: BASE_PEAK 661.3876
+MS$FOCUSED_ION: PRECURSOR_M/Z 661.3877
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 8739100.81
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-014i-0000093000-d0a9e5795cbd40706d68
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  331.2274 C21H31O3- 1 331.2279 -1.4
+  383.222 C18H36ClO6- 2 383.2206 3.7
+  521.3999 C35H53O3- 2 521.4 -0.2
+  537.3946 C35H53O4- 2 537.3949 -0.57
+  565.3896 C30H58ClO7- 2 565.3877 3.37
+  583.3996 C36H55O6- 1 583.4004 -1.31
+  607.4002 C38H55O6- 1 607.4004 -0.35
+  625.411 C38H57O7- 1 625.411 -0.03
+  661.3887 C38H58ClO7- 1 661.3877 1.51
+PK$NUM_PEAK: 9
+PK$PEAK: m/z int. rel.int.
+  331.2274 45667.8 42
+  383.222 14252.6 13
+  521.3999 81421.3 75
+  537.3946 97410 90
+  565.3896 1076891.2 999
+  583.3996 72541.9 67
+  607.4002 106208.8 98
+  625.411 319281.2 296
+  661.3887 52873 49
+//
diff --git a/Eawag/MSBNK-MLU-ED096155.txt b/Eawag/MSBNK-MLU-ED096155.txt
new file mode 100644
index 0000000000..b88f6a7e1b
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED096155.txt
@@ -0,0 +1,63 @@
+ACCESSION: MSBNK-MLU-ED096155
+RECORD_TITLE: Cylindrofridin B; LC-ESI-QFT; MS2; CE: 40%; R=17500; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], M. Preisitsch [dtc], S. Mundt [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 961
+CH$NAME: Cylindrofridin B
+CH$NAME: [(1R,2S,7S)-7-[4-[(1R,2S)-7-chloro-1-hydroxy-2-methylundecyl]-2,6-dihydroxyphenyl]-1-(3,5-dihydroxyphenyl)-2-methylundecyl] acetate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C38H59ClO7
+CH$EXACT_MASS: 662.3949319
+CH$SMILES: CCCC[C@@H](CCCC[C@H](C)[C@H](C1=CC(=CC(=C1)O)O)OC(=O)C)C2=C(C=C(C=C2O)[C@@H]([C@@H](C)CCCCC(CCCC)Cl)O)O
+CH$IUPAC: InChI=1S/C38H59ClO7/c1-6-8-16-28(17-12-10-15-26(4)38(46-27(5)40)30-20-32(41)24-33(42)21-30)36-34(43)22-29(23-35(36)44)37(45)25(3)14-11-13-19-31(39)18-9-7-2/h20-26,28,31,37-38,41-45H,6-19H2,1-5H3/t25-,26-,28-,31?,37+,38+/m0/s1
+CH$LINK: PUBCHEM CID:127032790
+CH$LINK: INCHIKEY OALOPYYRKWCJGW-KIWBYYFGSA-N
+CH$LINK: CHEMSPIDER 58915006
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-695
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.981 min
+MS$FOCUSED_ION: BASE_PEAK 661.3876
+MS$FOCUSED_ION: PRECURSOR_M/Z 661.3877
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 8739100.81
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0159-0003090000-0e2941bbce966d11366b
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  247.1698 C16H23O2- 1 247.1704 -2.27
+  249.1859 C16H25O2- 1 249.186 -0.59
+  315.1962 C20H27O3- 1 315.1966 -1.1
+  331.2275 C21H31O3- 1 331.2279 -1.13
+  383.222 C18H36ClO6- 2 383.2206 3.78
+  521.3995 C35H53O3- 2 521.4 -1.02
+  537.3944 C35H53O4- 2 537.3949 -1.02
+  547.3776 C30H56ClO6- 2 547.3771 0.89
+  565.3894 C30H58ClO7- 2 565.3877 3.04
+  583.4001 C36H55O6- 1 583.4004 -0.58
+PK$NUM_PEAK: 10
+PK$PEAK: m/z int. rel.int.
+  247.1698 13639.8 21
+  249.1859 93180 144
+  315.1962 52350.9 81
+  331.2275 271306.7 421
+  383.222 70135 108
+  521.3995 154788 240
+  537.3944 125348.4 194
+  547.3776 51072.1 79
+  565.3894 643592.4 999
+  583.4001 41737.1 64
+//
diff --git a/Eawag/MSBNK-MLU-ED096351.txt b/Eawag/MSBNK-MLU-ED096351.txt
new file mode 100644
index 0000000000..6777ad2fc2
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED096351.txt
@@ -0,0 +1,53 @@
+ACCESSION: MSBNK-MLU-ED096351
+RECORD_TITLE: Carbamidocyclophane E; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M-H]-
+DATE: 2024.04.30
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], M. Preisitsch [dtc], S. Mundt [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 963
+CH$NAME: Carbamidocyclophane E
+CH$NAME: (2S,3R,10S,11R)-8,16-dibutyl-13,15,92,96-tetrahydroxy-3,11-dimethyl-1,9(1,4)-dibenzenacyclohexadecaphane-2,10-diyl dicarbamate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C38H58N2O8
+CH$EXACT_MASS: 670.4193168
+CH$SMILES: CCCCC1CCCC[C@@H]([C@H](C2=CC(=C(C(CCCC[C@@H]([C@H](C3=CC(=C1C(=C3)O)O)OC(=O)N)C)CCCC)C(=C2)O)O)OC(=O)N)C
+CH$IUPAC: InChI=1S/C38H58N2O8/c1-5-7-15-25-17-11-9-13-23(3)36(48-38(40)46)28-21-31(43)34(32(44)22-28)26(16-8-6-2)18-12-10-14-24(4)35(47-37(39)45)27-19-29(41)33(25)30(42)20-27/h19-26,35-36,41-44H,5-18H2,1-4H3,(H2,39,45)(H2,40,46)/t23-,24-,25?,26?,35+,36+/m0/s1
+CH$LINK: PUBCHEM CID:16216032
+CH$LINK: INCHIKEY MMNOSSIKVRRNRZ-MJVHAFATSA-N
+CH$LINK: CHEMSPIDER 17214519
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-700
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.637 min
+MS$FOCUSED_ION: BASE_PEAK 669.4123
+MS$FOCUSED_ION: PRECURSOR_M/Z 669.412
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 514051258.01
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-014i-0000009000-44e501d9313b6a2e906b
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  547.3781 C36H51O4- 1 547.3793 -2.2
+  565.3896 C36H53O5- 1 565.3898 -0.4
+  608.3959 C37H54NO6- 1 608.3957 0.46
+  626.4061 C37H56NO7- 1 626.4062 -0.24
+  669.4124 C38H57N2O8- 1 669.412 0.48
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  547.3781 4633761.5 28
+  565.3896 16005564 98
+  608.3959 8399384 51
+  626.4061 15978289 98
+  669.4124 161908512 999
+//
diff --git a/Eawag/MSBNK-MLU-ED096352.txt b/Eawag/MSBNK-MLU-ED096352.txt
new file mode 100644
index 0000000000..0abcc6aecb
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED096352.txt
@@ -0,0 +1,57 @@
+ACCESSION: MSBNK-MLU-ED096352
+RECORD_TITLE: Carbamidocyclophane E; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M-H]-
+DATE: 2024.04.30
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], M. Preisitsch [dtc], S. Mundt [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 963
+CH$NAME: Carbamidocyclophane E
+CH$NAME: (2S,3R,10S,11R)-8,16-dibutyl-13,15,92,96-tetrahydroxy-3,11-dimethyl-1,9(1,4)-dibenzenacyclohexadecaphane-2,10-diyl dicarbamate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C38H58N2O8
+CH$EXACT_MASS: 670.4193168
+CH$SMILES: CCCCC1CCCC[C@@H]([C@H](C2=CC(=C(C(CCCC[C@@H]([C@H](C3=CC(=C1C(=C3)O)O)OC(=O)N)C)CCCC)C(=C2)O)O)OC(=O)N)C
+CH$IUPAC: InChI=1S/C38H58N2O8/c1-5-7-15-25-17-11-9-13-23(3)36(48-38(40)46)28-21-31(43)34(32(44)22-28)26(16-8-6-2)18-12-10-14-24(4)35(47-37(39)45)27-19-29(41)33(25)30(42)20-27/h19-26,35-36,41-44H,5-18H2,1-4H3,(H2,39,45)(H2,40,46)/t23-,24-,25?,26?,35+,36+/m0/s1
+CH$LINK: PUBCHEM CID:16216032
+CH$LINK: INCHIKEY MMNOSSIKVRRNRZ-MJVHAFATSA-N
+CH$LINK: CHEMSPIDER 17214519
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-700
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.637 min
+MS$FOCUSED_ION: BASE_PEAK 669.4123
+MS$FOCUSED_ION: PRECURSOR_M/Z 669.412
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 514051258.01
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-014i-0000069000-32c9bea40f57b51b3fa4
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  547.3797 C36H51O4- 1 547.3793 0.81
+  565.3898 C36H53O5- 1 565.3898 -0.08
+  566.3936 C31H54N2O7- 1 566.3937 -0.12
+  583.4002 C36H55O6- 1 583.4004 -0.4
+  608.3959 C37H54NO6- 1 608.3957 0.36
+  626.4067 C37H56NO7- 1 626.4062 0.73
+  669.4129 C38H57N2O8- 1 669.412 1.21
+PK$NUM_PEAK: 7
+PK$PEAK: m/z int. rel.int.
+  547.3797 19003142 306
+  565.3898 49483944 799
+  566.3936 1849446.9 29
+  583.4002 8410759 135
+  608.3959 14351430 231
+  626.4067 32808168 529
+  669.4129 61847328 999
+//
diff --git a/Eawag/MSBNK-MLU-ED096353.txt b/Eawag/MSBNK-MLU-ED096353.txt
new file mode 100644
index 0000000000..decbcc17c5
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED096353.txt
@@ -0,0 +1,67 @@
+ACCESSION: MSBNK-MLU-ED096353
+RECORD_TITLE: Carbamidocyclophane E; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M-H]-
+DATE: 2024.04.30
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], M. Preisitsch [dtc], S. Mundt [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 963
+CH$NAME: Carbamidocyclophane E
+CH$NAME: (2S,3R,10S,11R)-8,16-dibutyl-13,15,92,96-tetrahydroxy-3,11-dimethyl-1,9(1,4)-dibenzenacyclohexadecaphane-2,10-diyl dicarbamate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C38H58N2O8
+CH$EXACT_MASS: 670.4193168
+CH$SMILES: CCCCC1CCCC[C@@H]([C@H](C2=CC(=C(C(CCCC[C@@H]([C@H](C3=CC(=C1C(=C3)O)O)OC(=O)N)C)CCCC)C(=C2)O)O)OC(=O)N)C
+CH$IUPAC: InChI=1S/C38H58N2O8/c1-5-7-15-25-17-11-9-13-23(3)36(48-38(40)46)28-21-31(43)34(32(44)22-28)26(16-8-6-2)18-12-10-14-24(4)35(47-37(39)45)27-19-29(41)33(25)30(42)20-27/h19-26,35-36,41-44H,5-18H2,1-4H3,(H2,39,45)(H2,40,46)/t23-,24-,25?,26?,35+,36+/m0/s1
+CH$LINK: PUBCHEM CID:16216032
+CH$LINK: INCHIKEY MMNOSSIKVRRNRZ-MJVHAFATSA-N
+CH$LINK: CHEMSPIDER 17214519
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-700
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.637 min
+MS$FOCUSED_ION: BASE_PEAK 669.4123
+MS$FOCUSED_ION: PRECURSOR_M/Z 669.412
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 514051258.01
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-014i-0000092000-feaff90f8959bcf92335
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  503.3908 C35H51O2- 1 503.3895 2.75
+  519.3845 C35H51O3- 1 519.3844 0.16
+  521.401 C35H53O3- 2 521.4 1.85
+  537.3952 C35H53O4- 2 537.3949 0.5
+  547.3794 C36H51O4- 1 547.3793 0.26
+  564.4063 C36H54NO4- 1 564.4058 0.91
+  565.3897 C36H53O5- 1 565.3898 -0.19
+  566.3938 C31H54N2O7- 1 566.3937 0.21
+  583.4005 C36H55O6- 1 583.4004 0.23
+  608.3958 C37H54NO6- 1 608.3957 0.16
+  626.4061 C37H56NO7- 1 626.4062 -0.24
+  669.4126 C38H57N2O8- 1 669.412 0.85
+PK$NUM_PEAK: 12
+PK$PEAK: m/z int. rel.int.
+  503.3908 1351259.2 17
+  519.3845 3965372.5 50
+  521.401 1005741.8 12
+  537.3952 3317360 42
+  547.3794 35847024 458
+  564.4063 1054488.5 13
+  565.3897 78079632 999
+  566.3938 2493785.8 31
+  583.4005 20431306 261
+  608.3958 7430831 95
+  626.4061 17778184 227
+  669.4126 8857359 113
+//
diff --git a/Eawag/MSBNK-MLU-ED096354.txt b/Eawag/MSBNK-MLU-ED096354.txt
new file mode 100644
index 0000000000..7c70bc002c
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED096354.txt
@@ -0,0 +1,67 @@
+ACCESSION: MSBNK-MLU-ED096354
+RECORD_TITLE: Carbamidocyclophane E; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M-H]-
+DATE: 2024.04.30
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], M. Preisitsch [dtc], S. Mundt [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 963
+CH$NAME: Carbamidocyclophane E
+CH$NAME: (2S,3R,10S,11R)-8,16-dibutyl-13,15,92,96-tetrahydroxy-3,11-dimethyl-1,9(1,4)-dibenzenacyclohexadecaphane-2,10-diyl dicarbamate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C38H58N2O8
+CH$EXACT_MASS: 670.4193168
+CH$SMILES: CCCCC1CCCC[C@@H]([C@H](C2=CC(=C(C(CCCC[C@@H]([C@H](C3=CC(=C1C(=C3)O)O)OC(=O)N)C)CCCC)C(=C2)O)O)OC(=O)N)C
+CH$IUPAC: InChI=1S/C38H58N2O8/c1-5-7-15-25-17-11-9-13-23(3)36(48-38(40)46)28-21-31(43)34(32(44)22-28)26(16-8-6-2)18-12-10-14-24(4)35(47-37(39)45)27-19-29(41)33(25)30(42)20-27/h19-26,35-36,41-44H,5-18H2,1-4H3,(H2,39,45)(H2,40,46)/t23-,24-,25?,26?,35+,36+/m0/s1
+CH$LINK: PUBCHEM CID:16216032
+CH$LINK: INCHIKEY MMNOSSIKVRRNRZ-MJVHAFATSA-N
+CH$LINK: CHEMSPIDER 17214519
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-700
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.637 min
+MS$FOCUSED_ION: BASE_PEAK 669.4123
+MS$FOCUSED_ION: PRECURSOR_M/Z 669.412
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 514051258.01
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-014i-0000090000-692b2b228a3004893de0
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  503.3894 C35H51O2- 1 503.3895 -0.1
+  519.3845 C35H51O3- 2 519.3844 0.28
+  521.4004 C35H53O3- 2 521.4 0.8
+  529.3696 C36H49O3- 1 529.3687 1.65
+  537.395 C35H53O4- 2 537.3949 0.16
+  547.3794 C36H51O4- 1 547.3793 0.26
+  548.3833 C31H52N2O6- 1 548.3831 0.33
+  565.3899 C36H53O5- 1 565.3898 0.03
+  566.3936 C31H54N2O7- 1 566.3937 -0.01
+  583.4005 C36H55O6- 1 583.4004 0.23
+  608.3952 C37H54NO6- 1 608.3957 -0.74
+  626.4065 C37H56NO7- 1 626.4062 0.44
+PK$NUM_PEAK: 12
+PK$PEAK: m/z int. rel.int.
+  503.3894 3851690.8 47
+  519.3845 8639502 106
+  521.4004 3546692.5 43
+  529.3696 1201743.9 14
+  537.395 6838571.5 84
+  547.3794 42534580 523
+  548.3833 1528591.4 18
+  565.3899 81129672 999
+  566.3936 2765210.8 34
+  583.4005 25934646 319
+  608.3952 2016155.1 24
+  626.4065 4015344.5 49
+//
diff --git a/Eawag/MSBNK-MLU-ED096355.txt b/Eawag/MSBNK-MLU-ED096355.txt
new file mode 100644
index 0000000000..460cf0ec08
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED096355.txt
@@ -0,0 +1,69 @@
+ACCESSION: MSBNK-MLU-ED096355
+RECORD_TITLE: Carbamidocyclophane E; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M-H]-
+DATE: 2024.04.30
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], M. Preisitsch [dtc], S. Mundt [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 963
+CH$NAME: Carbamidocyclophane E
+CH$NAME: (2S,3R,10S,11R)-8,16-dibutyl-13,15,92,96-tetrahydroxy-3,11-dimethyl-1,9(1,4)-dibenzenacyclohexadecaphane-2,10-diyl dicarbamate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C38H58N2O8
+CH$EXACT_MASS: 670.4193168
+CH$SMILES: CCCCC1CCCC[C@@H]([C@H](C2=CC(=C(C(CCCC[C@@H]([C@H](C3=CC(=C1C(=C3)O)O)OC(=O)N)C)CCCC)C(=C2)O)O)OC(=O)N)C
+CH$IUPAC: InChI=1S/C38H58N2O8/c1-5-7-15-25-17-11-9-13-23(3)36(48-38(40)46)28-21-31(43)34(32(44)22-28)26(16-8-6-2)18-12-10-14-24(4)35(47-37(39)45)27-19-29(41)33(25)30(42)20-27/h19-26,35-36,41-44H,5-18H2,1-4H3,(H2,39,45)(H2,40,46)/t23-,24-,25?,26?,35+,36+/m0/s1
+CH$LINK: PUBCHEM CID:16216032
+CH$LINK: INCHIKEY MMNOSSIKVRRNRZ-MJVHAFATSA-N
+CH$LINK: CHEMSPIDER 17214519
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-700
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.637 min
+MS$FOCUSED_ION: BASE_PEAK 669.4123
+MS$FOCUSED_ION: PRECURSOR_M/Z 669.412
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 514051258.01
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-014j-0000090000-e98583d46eb7d1f8c7c5
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  289.2171 C19H29O2- 1 289.2173 -0.54
+  394.2144 C25H30O4- 1 394.215 -1.54
+  503.3901 C35H51O2- 1 503.3895 1.23
+  519.3848 C35H51O3- 2 519.3844 0.75
+  521.4001 C35H53O3- 2 521.4 0.22
+  523.3788 C34H51O4- 1 523.3793 -0.88
+  529.3687 C36H49O3- 1 529.3687 0.03
+  537.3952 C35H53O4- 2 537.3949 0.5
+  539.4112 C35H55O4- 2 539.4106 1.23
+  547.3797 C36H51O4- 1 547.3793 0.81
+  548.3824 C31H52N2O6- 1 548.3831 -1.23
+  565.3901 C36H53O5- 1 565.3898 0.46
+  583.4007 C36H55O6- 1 583.4004 0.54
+PK$NUM_PEAK: 13
+PK$PEAK: m/z int. rel.int.
+  289.2171 582235 13
+  394.2144 755255.2 17
+  503.3901 8482427 198
+  519.3848 13251836 310
+  521.4001 18502574 433
+  523.3788 548742.1 12
+  529.3687 1430705.5 33
+  537.3952 9754860 228
+  539.4112 4421556.5 103
+  547.3797 28502432 668
+  548.3824 894296.5 20
+  565.3901 42606584 999
+  583.4007 15338007 359
+//
diff --git a/Eawag/MSBNK-MLU-ED096356.txt b/Eawag/MSBNK-MLU-ED096356.txt
new file mode 100644
index 0000000000..0746fa85da
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED096356.txt
@@ -0,0 +1,107 @@
+ACCESSION: MSBNK-MLU-ED096356
+RECORD_TITLE: Carbamidocyclophane E; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M-H]-
+DATE: 2024.04.30
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], M. Preisitsch [dtc], S. Mundt [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 963
+CH$NAME: Carbamidocyclophane E
+CH$NAME: (2S,3R,10S,11R)-8,16-dibutyl-13,15,92,96-tetrahydroxy-3,11-dimethyl-1,9(1,4)-dibenzenacyclohexadecaphane-2,10-diyl dicarbamate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C38H58N2O8
+CH$EXACT_MASS: 670.4193168
+CH$SMILES: CCCCC1CCCC[C@@H]([C@H](C2=CC(=C(C(CCCC[C@@H]([C@H](C3=CC(=C1C(=C3)O)O)OC(=O)N)C)CCCC)C(=C2)O)O)OC(=O)N)C
+CH$IUPAC: InChI=1S/C38H58N2O8/c1-5-7-15-25-17-11-9-13-23(3)36(48-38(40)46)28-21-31(43)34(32(44)22-28)26(16-8-6-2)18-12-10-14-24(4)35(47-37(39)45)27-19-29(41)33(25)30(42)20-27/h19-26,35-36,41-44H,5-18H2,1-4H3,(H2,39,45)(H2,40,46)/t23-,24-,25?,26?,35+,36+/m0/s1
+CH$LINK: PUBCHEM CID:16216032
+CH$LINK: INCHIKEY MMNOSSIKVRRNRZ-MJVHAFATSA-N
+CH$LINK: CHEMSPIDER 17214519
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-700
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.637 min
+MS$FOCUSED_ION: BASE_PEAK 669.4123
+MS$FOCUSED_ION: PRECURSOR_M/Z 669.412
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 514051258.01
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00y1-0110090000-82a5da7cd5809bd22ead
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  135.0446 C8H7O2- 1 135.0452 -4.2
+  137.0239 C7H5O3- 1 137.0244 -3.45
+  147.0815 C10H11O- 1 147.0815 -0.37
+  149.0608 C9H9O2- 1 149.0608 0.23
+  161.0967 C11H13O- 1 161.0972 -3.13
+  163.0397 C9H7O3- 1 163.0401 -2.44
+  163.1124 C11H15O- 1 163.1128 -2.64
+  173.0607 C11H9O2- 1 173.0608 -0.87
+  175.0767 C11H11O2- 1 175.0765 1.36
+  177.0924 C11H13O2- 1 177.0921 1.72
+  189.0924 C12H13O2- 1 189.0921 1.53
+  191.1077 C12H15O2- 1 191.1078 -0.31
+  203.1085 C13H15O2- 1 203.1078 3.6
+  217.1235 C14H17O2- 1 217.1234 0.45
+  231.1389 C15H19O2- 1 231.1391 -0.87
+  231.1751 C16H23O- 1 231.1754 -1.51
+  245.1907 C17H25O- 1 245.1911 -1.43
+  273.1864 C18H25O2- 1 273.186 1.52
+  289.2178 C19H29O2- 1 289.2173 1.68
+  291.1966 C18H27O3- 1 291.1966 0.24
+  299.2023 C20H27O2- 1 299.2017 2.28
+  315.2318 C21H31O2- 1 315.233 -3.81
+  331.2284 C21H31O3- 1 331.2279 1.61
+  493.4067 C34H53O2- 1 493.4051 3.17
+  503.39 C35H51O2- 1 503.3895 1.11
+  519.3848 C35H51O3- 2 519.3844 0.86
+  521.4002 C35H53O3- 2 521.4 0.33
+  537.3954 C35H53O4- 2 537.3949 0.95
+  539.4114 C35H55O4- 2 539.4106 1.46
+  547.3795 C36H51O4- 1 547.3793 0.48
+  565.3896 C36H53O5- 1 565.3898 -0.51
+  583.4013 C36H55O6- 1 583.4004 1.48
+PK$NUM_PEAK: 32
+PK$PEAK: m/z int. rel.int.
+  135.0446 688891.4 78
+  137.0239 3034864.8 345
+  147.0815 450392.7 51
+  149.0608 287689.4 32
+  161.0967 777425.6 88
+  163.0397 516790.1 58
+  163.1124 457531.4 52
+  173.0607 135729.8 15
+  175.0767 378856 43
+  177.0924 349769.3 39
+  189.0924 290373.6 33
+  191.1077 288587.6 32
+  203.1085 353938.2 40
+  217.1235 219467.7 25
+  231.1389 308950 35
+  231.1751 1070824.1 121
+  245.1907 265250.5 30
+  273.1864 1856643.1 211
+  289.2178 1138475.2 129
+  291.1966 1089941.2 124
+  299.2023 329532.3 37
+  315.2318 237864.2 27
+  331.2284 1102423.5 125
+  493.4067 1205229.9 137
+  503.39 4400545 501
+  519.3848 5304146.5 604
+  521.4002 8768821 999
+  537.3954 3145087.8 358
+  539.4114 1766231.6 201
+  547.3795 5536076.5 630
+  565.3896 5227715.5 595
+  583.4013 1538115.2 175
+//
diff --git a/Eawag/MSBNK-MLU-ED096951.txt b/Eawag/MSBNK-MLU-ED096951.txt
new file mode 100644
index 0000000000..8ceb14212e
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED096951.txt
@@ -0,0 +1,57 @@
+ACCESSION: MSBNK-MLU-ED096951
+RECORD_TITLE: Carbamidocyclophane D; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M-H]-
+DATE: 2024.04.30
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], M. Preisitsch [dtc], S. Mundt [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 969
+CH$NAME: Carbamidocyclophane D
+CH$NAME: (2R,3S,10R,11S)-8-butyl-16-(4-chlorobutyl)-13,15,92,96-tetrahydroxy-3,11-dimethyl-1,9(1,4)-dibenzenacyclohexadecaphane-2,10-diyl dicarbamate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C38H57ClN2O8
+CH$EXACT_MASS: 704.3803445
+CH$SMILES: CCCCC1CCCC[C@@H]([C@H](C2=CC(=C(C(CCCC[C@@H]([C@H](C3=CC(=C1C(=C3)O)O)OC(=O)N)C)CCCCCl)C(=C2)O)O)OC(=O)N)C
+CH$IUPAC: InChI=1S/C38H57ClN2O8/c1-4-5-14-25-15-8-6-12-23(2)36(49-38(41)47)28-21-31(44)34(32(45)22-28)26(17-10-11-18-39)16-9-7-13-24(3)35(48-37(40)46)27-19-29(42)33(25)30(43)20-27/h19-26,35-36,42-45H,4-18H2,1-3H3,(H2,40,46)(H2,41,47)/t23-,24-,25?,26?,35+,36+/m0/s1
+CH$LINK: PUBCHEM CID:16216031
+CH$LINK: INCHIKEY YSZWKXRRCFZDNI-MJVHAFATSA-N
+CH$LINK: CHEMSPIDER 17214518
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-735
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.595 min
+MS$FOCUSED_ION: BASE_PEAK 703.3736
+MS$FOCUSED_ION: PRECURSOR_M/Z 703.3731
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 287135046.34
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0udi-0000003900-762bbcad3243aae2add6
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  563.3734 C36H51O5- 3 563.3742 -1.43
+  606.3809 C34H55ClN2O5- 2 606.3805 0.72
+  624.3911 C37H54NO7- 1 624.3906 0.88
+  642.3582 C37H53ClNO6- 1 642.3567 2.41
+  660.3687 C37H55ClNO7- 1 660.3673 2.17
+  667.397 C38H55N2O8- 1 667.3964 0.99
+  703.3735 C38H56ClN2O8- 1 703.3731 0.65
+PK$NUM_PEAK: 7
+PK$PEAK: m/z int. rel.int.
+  563.3734 4074602.2 55
+  606.3809 1433488.8 19
+  624.3911 3664801.2 50
+  642.3582 2115268.8 28
+  660.3687 4646698 63
+  667.397 15033735 205
+  703.3735 72961832 999
+//
diff --git a/Eawag/MSBNK-MLU-ED096952.txt b/Eawag/MSBNK-MLU-ED096952.txt
new file mode 100644
index 0000000000..23b86ba467
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED096952.txt
@@ -0,0 +1,63 @@
+ACCESSION: MSBNK-MLU-ED096952
+RECORD_TITLE: Carbamidocyclophane D; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M-H]-
+DATE: 2024.04.30
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], M. Preisitsch [dtc], S. Mundt [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 969
+CH$NAME: Carbamidocyclophane D
+CH$NAME: (2R,3S,10R,11S)-8-butyl-16-(4-chlorobutyl)-13,15,92,96-tetrahydroxy-3,11-dimethyl-1,9(1,4)-dibenzenacyclohexadecaphane-2,10-diyl dicarbamate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C38H57ClN2O8
+CH$EXACT_MASS: 704.3803445
+CH$SMILES: CCCCC1CCCC[C@@H]([C@H](C2=CC(=C(C(CCCC[C@@H]([C@H](C3=CC(=C1C(=C3)O)O)OC(=O)N)C)CCCCCl)C(=C2)O)O)OC(=O)N)C
+CH$IUPAC: InChI=1S/C38H57ClN2O8/c1-4-5-14-25-15-8-6-12-23(2)36(49-38(41)47)28-21-31(44)34(32(45)22-28)26(17-10-11-18-39)16-9-7-13-24(3)35(48-37(40)46)27-19-29(42)33(25)30(43)20-27/h19-26,35-36,42-45H,4-18H2,1-3H3,(H2,40,46)(H2,41,47)/t23-,24-,25?,26?,35+,36+/m0/s1
+CH$LINK: PUBCHEM CID:16216031
+CH$LINK: INCHIKEY YSZWKXRRCFZDNI-MJVHAFATSA-N
+CH$LINK: CHEMSPIDER 17214518
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-735
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.595 min
+MS$FOCUSED_ION: BASE_PEAK 703.3736
+MS$FOCUSED_ION: PRECURSOR_M/Z 703.3731
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 287135046.34
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0j4i-0000049400-8dee0092f93e2622693e
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  545.3641 C33H52ClNO3- 4 545.3641 -0.02
+  563.3739 C36H51O5- 3 563.3742 -0.57
+  599.3513 C36H52ClO5- 2 599.3509 0.7
+  606.3808 C34H55ClN2O5- 2 606.3805 0.42
+  617.3617 C36H54ClO6- 2 617.3614 0.37
+  624.3908 C37H54NO7- 1 624.3906 0.29
+  642.3574 C37H53ClNO6- 1 642.3567 1.17
+  660.3683 C37H55ClNO7- 1 660.3673 1.61
+  667.3972 C38H55N2O8- 1 667.3964 1.17
+  703.3738 C38H56ClN2O8- 1 703.3731 1
+PK$NUM_PEAK: 10
+PK$PEAK: m/z int. rel.int.
+  545.3641 3705561.5 152
+  563.3739 16080822 660
+  599.3513 2445638.2 100
+  606.3808 4920818 202
+  617.3617 1193084.2 49
+  624.3908 11652297 478
+  642.3574 4036471 165
+  660.3683 8971613 368
+  667.3972 15173419 623
+  703.3738 24309770 999
+//
diff --git a/Eawag/MSBNK-MLU-ED096953.txt b/Eawag/MSBNK-MLU-ED096953.txt
new file mode 100644
index 0000000000..e0d5417cd8
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED096953.txt
@@ -0,0 +1,67 @@
+ACCESSION: MSBNK-MLU-ED096953
+RECORD_TITLE: Carbamidocyclophane D; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M-H]-
+DATE: 2024.04.30
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], M. Preisitsch [dtc], S. Mundt [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 969
+CH$NAME: Carbamidocyclophane D
+CH$NAME: (2R,3S,10R,11S)-8-butyl-16-(4-chlorobutyl)-13,15,92,96-tetrahydroxy-3,11-dimethyl-1,9(1,4)-dibenzenacyclohexadecaphane-2,10-diyl dicarbamate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C38H57ClN2O8
+CH$EXACT_MASS: 704.3803445
+CH$SMILES: CCCCC1CCCC[C@@H]([C@H](C2=CC(=C(C(CCCC[C@@H]([C@H](C3=CC(=C1C(=C3)O)O)OC(=O)N)C)CCCCCl)C(=C2)O)O)OC(=O)N)C
+CH$IUPAC: InChI=1S/C38H57ClN2O8/c1-4-5-14-25-15-8-6-12-23(2)36(49-38(41)47)28-21-31(44)34(32(45)22-28)26(17-10-11-18-39)16-9-7-13-24(3)35(48-37(40)46)27-19-29(42)33(25)30(43)20-27/h19-26,35-36,42-45H,4-18H2,1-3H3,(H2,40,46)(H2,41,47)/t23-,24-,25?,26?,35+,36+/m0/s1
+CH$LINK: PUBCHEM CID:16216031
+CH$LINK: INCHIKEY YSZWKXRRCFZDNI-MJVHAFATSA-N
+CH$LINK: CHEMSPIDER 17214518
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-735
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.595 min
+MS$FOCUSED_ION: BASE_PEAK 703.3736
+MS$FOCUSED_ION: PRECURSOR_M/Z 703.3731
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 287135046.34
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03di-0000096000-4618ed958592466e398d
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  517.369 C35H49O3- 4 517.3687 0.45
+  562.3912 C33H55ClN2O3- 2 562.3907 0.97
+  563.3741 C36H51O5- 3 563.3742 -0.24
+  564.376 C31H52N2O7- 2 564.378 -3.52
+  599.351 C36H52ClO5- 2 599.3509 0.19
+  606.3808 C34H55ClN2O5- 2 606.3805 0.52
+  617.3613 C36H54ClO6- 2 617.3614 -0.22
+  624.3907 C37H54NO7- 1 624.3906 0.2
+  642.357 C37H53ClNO6- 1 642.3567 0.51
+  660.3678 C37H55ClNO7- 1 660.3673 0.78
+  667.3964 C38H55N2O8- 1 667.3964 0.07
+  703.3742 C38H56ClN2O8- 1 703.3731 1.61
+PK$NUM_PEAK: 12
+PK$PEAK: m/z int. rel.int.
+  517.369 873077.9 26
+  562.3912 361332.6 10
+  563.3741 33349678 999
+  564.376 827960.3 24
+  599.351 2856328.5 85
+  606.3808 3964900.5 118
+  617.3613 2314196 69
+  624.3907 9315966 279
+  642.357 1655502 49
+  660.3678 4290342.5 128
+  667.3964 4699070.5 140
+  703.3742 3373181 101
+//
diff --git a/Eawag/MSBNK-MLU-ED096954.txt b/Eawag/MSBNK-MLU-ED096954.txt
new file mode 100644
index 0000000000..9883ddee85
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED096954.txt
@@ -0,0 +1,63 @@
+ACCESSION: MSBNK-MLU-ED096954
+RECORD_TITLE: Carbamidocyclophane D; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M-H]-
+DATE: 2024.04.30
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], M. Preisitsch [dtc], S. Mundt [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 969
+CH$NAME: Carbamidocyclophane D
+CH$NAME: (2R,3S,10R,11S)-8-butyl-16-(4-chlorobutyl)-13,15,92,96-tetrahydroxy-3,11-dimethyl-1,9(1,4)-dibenzenacyclohexadecaphane-2,10-diyl dicarbamate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C38H57ClN2O8
+CH$EXACT_MASS: 704.3803445
+CH$SMILES: CCCCC1CCCC[C@@H]([C@H](C2=CC(=C(C(CCCC[C@@H]([C@H](C3=CC(=C1C(=C3)O)O)OC(=O)N)C)CCCCCl)C(=C2)O)O)OC(=O)N)C
+CH$IUPAC: InChI=1S/C38H57ClN2O8/c1-4-5-14-25-15-8-6-12-23(2)36(49-38(41)47)28-21-31(44)34(32(45)22-28)26(17-10-11-18-39)16-9-7-13-24(3)35(48-37(40)46)27-19-29(42)33(25)30(43)20-27/h19-26,35-36,42-45H,4-18H2,1-3H3,(H2,40,46)(H2,41,47)/t23-,24-,25?,26?,35+,36+/m0/s1
+CH$LINK: PUBCHEM CID:16216031
+CH$LINK: INCHIKEY YSZWKXRRCFZDNI-MJVHAFATSA-N
+CH$LINK: CHEMSPIDER 17214518
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-735
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.595 min
+MS$FOCUSED_ION: BASE_PEAK 703.3736
+MS$FOCUSED_ION: PRECURSOR_M/Z 703.3731
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 287135046.34
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03di-0000090000-cbd4a6fedf2a53b8aed2
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  501.3728 C32H52ClNO- 3 501.3743 -2.9
+  517.3687 C35H49O3- 3 517.3687 -0.02
+  519.3846 C35H51O3- 4 519.3844 0.39
+  545.3639 C33H52ClNO3- 3 545.3641 -0.36
+  563.3742 C36H51O5- 3 563.3742 0.08
+  564.378 C31H52N2O7- 1 564.378 0.05
+  580.4009 C36H54NO5- 2 580.4007 0.3
+  581.3885 C36H54ClN2O2- 1 581.3879 0.93
+  624.3908 C37H54NO7- 1 624.3906 0.29
+  660.3678 C37H55ClNO7- 1 660.3673 0.87
+PK$NUM_PEAK: 10
+PK$PEAK: m/z int. rel.int.
+  501.3728 1015443.8 31
+  517.3687 1756547.4 53
+  519.3846 2310383.5 70
+  545.3639 14187900 434
+  563.3742 32650158 999
+  564.378 939105.4 28
+  580.4009 343286.1 10
+  581.3885 12556874 384
+  624.3908 2345597 71
+  660.3678 821597.5 25
+//
diff --git a/Eawag/MSBNK-MLU-ED096955.txt b/Eawag/MSBNK-MLU-ED096955.txt
new file mode 100644
index 0000000000..51a47cd320
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED096955.txt
@@ -0,0 +1,57 @@
+ACCESSION: MSBNK-MLU-ED096955
+RECORD_TITLE: Carbamidocyclophane D; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M-H]-
+DATE: 2024.04.30
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], M. Preisitsch [dtc], S. Mundt [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 969
+CH$NAME: Carbamidocyclophane D
+CH$NAME: (2R,3S,10R,11S)-8-butyl-16-(4-chlorobutyl)-13,15,92,96-tetrahydroxy-3,11-dimethyl-1,9(1,4)-dibenzenacyclohexadecaphane-2,10-diyl dicarbamate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C38H57ClN2O8
+CH$EXACT_MASS: 704.3803445
+CH$SMILES: CCCCC1CCCC[C@@H]([C@H](C2=CC(=C(C(CCCC[C@@H]([C@H](C3=CC(=C1C(=C3)O)O)OC(=O)N)C)CCCCCl)C(=C2)O)O)OC(=O)N)C
+CH$IUPAC: InChI=1S/C38H57ClN2O8/c1-4-5-14-25-15-8-6-12-23(2)36(49-38(41)47)28-21-31(44)34(32(45)22-28)26(17-10-11-18-39)16-9-7-13-24(3)35(48-37(40)46)27-19-29(42)33(25)30(43)20-27/h19-26,35-36,42-45H,4-18H2,1-3H3,(H2,40,46)(H2,41,47)/t23-,24-,25?,26?,35+,36+/m0/s1
+CH$LINK: PUBCHEM CID:16216031
+CH$LINK: INCHIKEY YSZWKXRRCFZDNI-MJVHAFATSA-N
+CH$LINK: CHEMSPIDER 17214518
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-735
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.595 min
+MS$FOCUSED_ION: BASE_PEAK 703.3736
+MS$FOCUSED_ION: PRECURSOR_M/Z 703.3731
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 287135046.34
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00lb-0000090000-a3dc11d8414d97c90b98
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  491.3902 C31H54ClNO- 2 491.3899 0.51
+  501.3746 C32H52ClNO- 2 501.3743 0.69
+  519.3846 C35H51O3- 4 519.3844 0.51
+  535.3795 C35H51O4- 4 535.3793 0.33
+  537.3971 C38H51NO- 4 537.3976 -0.97
+  545.3643 C33H52ClNO3- 3 545.3641 0.32
+  581.3867 C36H54ClN2O2- 3 581.3879 -2.12
+PK$NUM_PEAK: 7
+PK$PEAK: m/z int. rel.int.
+  491.3902 252877.2 37
+  501.3746 1811712 269
+  519.3846 4195092 624
+  535.3795 1733860.8 258
+  537.3971 1729450.8 257
+  545.3643 6710548.5 999
+  581.3867 4990648.5 742
+//
diff --git a/Eawag/MSBNK-MLU-ED097251.txt b/Eawag/MSBNK-MLU-ED097251.txt
new file mode 100644
index 0000000000..7b9a39fd74
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED097251.txt
@@ -0,0 +1,61 @@
+ACCESSION: MSBNK-MLU-ED097251
+RECORD_TITLE: Carbamidocyclophane C; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M-H]-
+DATE: 2024.04.30
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], M. Preisitsch [dtc], S. Mundt [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 972
+CH$NAME: Carbamidocyclophane C
+CH$NAME: (2R,3S,10R,11S)-8-butyl-16-(4,4-dichlorobutyl)-13,15,92,96-tetrahydroxy-3,11-dimethyl-1,9(1,4)-dibenzenacyclohexadecaphane-2,10-diyl dicarbamate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C38H56Cl2N2O8
+CH$EXACT_MASS: 738.3413721
+CH$SMILES: CCCCC1CCCC[C@@H]([C@H](C2=CC(=C(C(CCCC[C@@H]([C@H](C3=CC(=C1C(=C3)O)O)OC(=O)N)C)CCCC(Cl)Cl)C(=C2)O)O)OC(=O)N)C
+CH$IUPAC: InChI=1S/C38H56Cl2N2O8/c1-4-5-13-24-14-8-6-11-22(2)36(50-38(42)48)27-20-30(45)34(31(46)21-27)25(16-10-17-32(39)40)15-9-7-12-23(3)35(49-37(41)47)26-18-28(43)33(24)29(44)19-26/h18-25,32,35-36,43-46H,4-17H2,1-3H3,(H2,41,47)(H2,42,48)/t22-,23-,24?,25?,35+,36+/m0/s1
+CH$LINK: PUBCHEM CID:16216030
+CH$LINK: INCHIKEY GTNWJJTZQLWLEN-BSSQUUOISA-N
+CH$LINK: CHEMSPIDER 17214517
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 51-770
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.842 min
+MS$FOCUSED_ION: BASE_PEAK 737.3348
+MS$FOCUSED_ION: PRECURSOR_M/Z 737.3341
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 219203913.36
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-000i-0000000900-6f4f4b4c705b67cbebb7
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  579.323 C37H43N2O4- 6 579.3228 0.27
+  597.3351 C36H50ClO5- 4 597.3352 -0.16
+  640.3423 C34H54Cl2N2O5- 2 640.3415 1.22
+  658.3521 C37H53ClNO7- 1 658.3516 0.74
+  665.3794 C38H53N2O8- 1 665.3807 -2.08
+  676.3188 C37H52Cl2NO6- 1 676.3177 1.66
+  694.3297 C37H54Cl2NO7- 1 694.3283 1.99
+  701.3581 C38H54ClN2O8- 1 701.3574 0.96
+  737.335 C38H55Cl2N2O8- 1 737.3341 1.22
+PK$NUM_PEAK: 9
+PK$PEAK: m/z int. rel.int.
+  579.323 466989.3 10
+  597.3351 2034771.9 47
+  640.3423 1321730.9 30
+  658.3521 1239994.1 28
+  665.3794 1115206.1 26
+  676.3188 867218.9 20
+  694.3297 1876726.2 43
+  701.3581 16422599 383
+  737.335 42817268 999
+//
diff --git a/Eawag/MSBNK-MLU-ED097252.txt b/Eawag/MSBNK-MLU-ED097252.txt
new file mode 100644
index 0000000000..fb952228de
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED097252.txt
@@ -0,0 +1,69 @@
+ACCESSION: MSBNK-MLU-ED097252
+RECORD_TITLE: Carbamidocyclophane C; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M-H]-
+DATE: 2024.04.30
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], M. Preisitsch [dtc], S. Mundt [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 972
+CH$NAME: Carbamidocyclophane C
+CH$NAME: (2R,3S,10R,11S)-8-butyl-16-(4,4-dichlorobutyl)-13,15,92,96-tetrahydroxy-3,11-dimethyl-1,9(1,4)-dibenzenacyclohexadecaphane-2,10-diyl dicarbamate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C38H56Cl2N2O8
+CH$EXACT_MASS: 738.3413721
+CH$SMILES: CCCCC1CCCC[C@@H]([C@H](C2=CC(=C(C(CCCC[C@@H]([C@H](C3=CC(=C1C(=C3)O)O)OC(=O)N)C)CCCC(Cl)Cl)C(=C2)O)O)OC(=O)N)C
+CH$IUPAC: InChI=1S/C38H56Cl2N2O8/c1-4-5-13-24-14-8-6-11-22(2)36(50-38(42)48)27-20-30(45)34(31(46)21-27)25(16-10-17-32(39)40)15-9-7-12-23(3)35(49-37(41)47)26-18-28(43)33(24)29(44)19-26/h18-25,32,35-36,43-46H,4-17H2,1-3H3,(H2,41,47)(H2,42,48)/t22-,23-,24?,25?,35+,36+/m0/s1
+CH$LINK: PUBCHEM CID:16216030
+CH$LINK: INCHIKEY GTNWJJTZQLWLEN-BSSQUUOISA-N
+CH$LINK: CHEMSPIDER 17214517
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 51-770
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.842 min
+MS$FOCUSED_ION: BASE_PEAK 737.3348
+MS$FOCUSED_ION: PRECURSOR_M/Z 737.3341
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 219203913.36
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0uds-0000035900-510abf611ae6449c1c56
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  561.3598 C30H55Cl2N2O3- 4 561.3595 0.58
+  597.3357 C33H53Cl2NO4- 5 597.3357 -0.06
+  598.3367 C34H48NO8- 3 598.3385 -3.16
+  622.3761 C34H55ClN2O6- 2 622.3754 1.03
+  633.3136 C36H51Cl2O5- 1 633.3119 2.75
+  640.3414 C34H54Cl2N2O5- 2 640.3415 -0.21
+  651.3215 C36H53Cl2O6- 3 651.3225 -1.54
+  658.3524 C37H53ClNO7- 1 658.3516 1.2
+  665.382 C38H53N2O8- 1 665.3807 1.95
+  676.3185 C37H52Cl2NO6- 1 676.3177 1.12
+  694.3294 C37H54Cl2NO7- 1 694.3283 1.64
+  701.3581 C38H54ClN2O8- 1 701.3574 0.96
+  737.335 C38H55Cl2N2O8- 1 737.3341 1.22
+PK$NUM_PEAK: 13
+PK$PEAK: m/z int. rel.int.
+  561.3598 1698958.9 78
+  597.3357 11547237 536
+  598.3367 447183.3 20
+  622.3761 845047.7 39
+  633.3136 619566.9 28
+  640.3414 4444872 206
+  651.3215 294535 13
+  658.3524 8718035 405
+  665.382 1984162.5 92
+  676.3185 1615384.2 75
+  694.3294 3531409 164
+  701.3581 21504122 999
+  737.335 13146544 610
+//
diff --git a/Eawag/MSBNK-MLU-ED097253.txt b/Eawag/MSBNK-MLU-ED097253.txt
new file mode 100644
index 0000000000..a610962b7f
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED097253.txt
@@ -0,0 +1,69 @@
+ACCESSION: MSBNK-MLU-ED097253
+RECORD_TITLE: Carbamidocyclophane C; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M-H]-
+DATE: 2024.04.30
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], M. Preisitsch [dtc], S. Mundt [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 972
+CH$NAME: Carbamidocyclophane C
+CH$NAME: (2R,3S,10R,11S)-8-butyl-16-(4,4-dichlorobutyl)-13,15,92,96-tetrahydroxy-3,11-dimethyl-1,9(1,4)-dibenzenacyclohexadecaphane-2,10-diyl dicarbamate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C38H56Cl2N2O8
+CH$EXACT_MASS: 738.3413721
+CH$SMILES: CCCCC1CCCC[C@@H]([C@H](C2=CC(=C(C(CCCC[C@@H]([C@H](C3=CC(=C1C(=C3)O)O)OC(=O)N)C)CCCC(Cl)Cl)C(=C2)O)O)OC(=O)N)C
+CH$IUPAC: InChI=1S/C38H56Cl2N2O8/c1-4-5-13-24-14-8-6-11-22(2)36(50-38(42)48)27-20-30(45)34(31(46)21-27)25(16-10-17-32(39)40)15-9-7-12-23(3)35(49-37(41)47)26-18-28(43)33(24)29(44)19-26/h18-25,32,35-36,43-46H,4-17H2,1-3H3,(H2,41,47)(H2,42,48)/t22-,23-,24?,25?,35+,36+/m0/s1
+CH$LINK: PUBCHEM CID:16216030
+CH$LINK: INCHIKEY GTNWJJTZQLWLEN-BSSQUUOISA-N
+CH$LINK: CHEMSPIDER 17214517
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 51-770
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.842 min
+MS$FOCUSED_ION: BASE_PEAK 737.3348
+MS$FOCUSED_ION: PRECURSOR_M/Z 737.3341
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 219203913.36
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0002-0000094100-40e340ff21827eddd60e
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  543.3473 C36H47O4- 5 543.348 -1.2
+  551.3293 C36H43N2O3- 4 551.3279 2.51
+  579.3227 C37H43N2O4- 6 579.3228 -0.16
+  597.3355 C33H53Cl2NO4- 5 597.3357 -0.36
+  598.3369 C34H48NO8- 3 598.3385 -2.75
+  640.3419 C34H54Cl2N2O5- 2 640.3415 0.56
+  651.324 C36H53Cl2O6- 1 651.3225 2.4
+  658.3518 C37H53ClNO7- 1 658.3516 0.37
+  665.3823 C38H53N2O8- 1 665.3807 2.41
+  676.3171 C37H52Cl2NO6- 1 676.3177 -0.86
+  694.3289 C37H54Cl2NO7- 1 694.3283 0.85
+  701.3578 C38H54ClN2O8- 1 701.3574 0.61
+  737.3339 C38H55Cl2N2O8- 1 737.3341 -0.27
+PK$NUM_PEAK: 13
+PK$PEAK: m/z int. rel.int.
+  543.3473 1072757 68
+  551.3293 498893.8 31
+  579.3227 7544073 479
+  597.3355 15707803 999
+  598.3369 543447.4 34
+  640.3419 2807377.8 178
+  651.324 220114.9 13
+  658.3518 6619589.5 420
+  665.3823 753310.1 47
+  676.3171 375247.2 23
+  694.3289 1011339.6 64
+  701.3578 4387301 279
+  737.3339 1101024.9 70
+//
diff --git a/Eawag/MSBNK-MLU-ED097254.txt b/Eawag/MSBNK-MLU-ED097254.txt
new file mode 100644
index 0000000000..2aa5abf72b
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED097254.txt
@@ -0,0 +1,65 @@
+ACCESSION: MSBNK-MLU-ED097254
+RECORD_TITLE: Carbamidocyclophane C; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M-H]-
+DATE: 2024.04.30
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], M. Preisitsch [dtc], S. Mundt [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 972
+CH$NAME: Carbamidocyclophane C
+CH$NAME: (2R,3S,10R,11S)-8-butyl-16-(4,4-dichlorobutyl)-13,15,92,96-tetrahydroxy-3,11-dimethyl-1,9(1,4)-dibenzenacyclohexadecaphane-2,10-diyl dicarbamate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C38H56Cl2N2O8
+CH$EXACT_MASS: 738.3413721
+CH$SMILES: CCCCC1CCCC[C@@H]([C@H](C2=CC(=C(C(CCCC[C@@H]([C@H](C3=CC(=C1C(=C3)O)O)OC(=O)N)C)CCCC(Cl)Cl)C(=C2)O)O)OC(=O)N)C
+CH$IUPAC: InChI=1S/C38H56Cl2N2O8/c1-4-5-13-24-14-8-6-11-22(2)36(50-38(42)48)27-20-30(45)34(31(46)21-27)25(16-10-17-32(39)40)15-9-7-12-23(3)35(49-37(41)47)26-18-28(43)33(24)29(44)19-26/h18-25,32,35-36,43-46H,4-17H2,1-3H3,(H2,41,47)(H2,42,48)/t22-,23-,24?,25?,35+,36+/m0/s1
+CH$LINK: PUBCHEM CID:16216030
+CH$LINK: INCHIKEY GTNWJJTZQLWLEN-BSSQUUOISA-N
+CH$LINK: CHEMSPIDER 17214517
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 51-770
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.842 min
+MS$FOCUSED_ION: BASE_PEAK 737.3348
+MS$FOCUSED_ION: PRECURSOR_M/Z 737.3341
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 219203913.36
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0002-0000092000-ef96fe3661e3d5787b87
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  543.3479 C36H47O4- 5 543.348 -0.08
+  551.3293 C36H43N2O3- 4 551.3279 2.51
+  553.3468 C32H53Cl2NO2- 4 553.3459 1.68
+  561.3598 C30H55Cl2N2O3- 4 561.3595 0.47
+  569.3413 C32H53Cl2NO3- 5 569.3408 0.82
+  597.3355 C33H53Cl2NO4- 5 597.3357 -0.36
+  615.348 C36H52ClO6- 3 615.3458 3.6
+  622.3768 C34H55ClN2O6- 2 622.3754 2.21
+  640.3443 C34H54Cl2N2O5- 1 640.3415 4.37
+  658.3533 C37H53ClNO7- 1 658.3516 2.59
+  701.358 C38H54ClN2O8- 1 701.3574 0.87
+PK$NUM_PEAK: 11
+PK$PEAK: m/z int. rel.int.
+  543.3479 2215865 143
+  551.3293 989442.9 64
+  553.3468 179936.8 11
+  561.3598 4757514 308
+  569.3413 754596.4 48
+  597.3355 15386920 999
+  615.348 5311364.5 344
+  622.3768 414032.9 26
+  640.3443 741837.3 48
+  658.3533 1622854.5 105
+  701.358 367848.8 23
+//
diff --git a/Eawag/MSBNK-MLU-ED097851.txt b/Eawag/MSBNK-MLU-ED097851.txt
new file mode 100644
index 0000000000..f553901bbb
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED097851.txt
@@ -0,0 +1,59 @@
+ACCESSION: MSBNK-MLU-ED097851
+RECORD_TITLE: Carbamidocyclophane B; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M-H]-
+DATE: 2024.04.30
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], M. Preisitsch [dtc], S. Mundt [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 978
+CH$NAME: Carbamidocyclophane B
+CH$NAME: (2R,3S,10R,11S)-8-(4-chlorobutyl)-16-(4,4-dichlorobutyl)-13,15,92,96-tetrahydroxy-3,11-dimethyl-1,9(1,4)-dibenzenacyclohexadecaphane-2,10-diyl dicarbamate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C38H55Cl3N2O8
+CH$EXACT_MASS: 772.3023998
+CH$SMILES: C[C@H]1CCCCC(C2=C(C=C(C=C2O)[C@@H]([C@H](CCCCC(C3=C(C=C([C@@H]1OC(=O)N)C=C3O)O)CCCC(Cl)Cl)C)OC(=O)N)O)CCCCCl
+CH$IUPAC: InChI=1S/C38H55Cl3N2O8/c1-22-10-3-5-12-24(14-7-8-17-39)33-28(44)18-26(19-29(33)45)35(50-37(42)48)23(2)11-4-6-13-25(15-9-16-32(40)41)34-30(46)20-27(21-31(34)47)36(22)51-38(43)49/h18-25,32,35-36,44-47H,3-17H2,1-2H3,(H2,42,48)(H2,43,49)/t22-,23-,24?,25?,35+,36+/m0/s1
+CH$LINK: PUBCHEM CID:16215903
+CH$LINK: INCHIKEY PXEFELGJKKNAPC-BSSQUUOISA-N
+CH$LINK: CHEMSPIDER 17214516
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 53-805
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.791 min
+MS$FOCUSED_ION: BASE_PEAK 773.293
+MS$FOCUSED_ION: PRECURSOR_M/Z 771.2951
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 151342625.46
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00di-0000000900-b7f9f034d6674a46ecce
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  656.3388 C34H54Cl2N2O6- 2 656.3364 3.58
+  674.3032 C34H53Cl3N2O5- 2 674.3026 0.99
+  692.3128 C37H52Cl2NO7- 1 692.3126 0.28
+  699.3414 C38H52ClN2O8- 1 699.3418 -0.57
+  710.2784 C37H51Cl3NO6- 1 710.2787 -0.46
+  728.2909 C37H53Cl3NO7- 1 728.2893 2.25
+  735.3194 C38H53Cl2N2O8- 1 735.3184 1.26
+  771.2956 C38H54Cl3N2O8- 1 771.2951 0.61
+PK$NUM_PEAK: 8
+PK$PEAK: m/z int. rel.int.
+  656.3388 364567.2 12
+  674.3032 717007.1 24
+  692.3128 787379.1 27
+  699.3414 1850082.2 63
+  710.2784 561395.8 19
+  728.2909 1009870.3 34
+  735.3194 9371285 323
+  771.2956 28924688 999
+//
diff --git a/Eawag/MSBNK-MLU-ED097852.txt b/Eawag/MSBNK-MLU-ED097852.txt
new file mode 100644
index 0000000000..f29129465d
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED097852.txt
@@ -0,0 +1,65 @@
+ACCESSION: MSBNK-MLU-ED097852
+RECORD_TITLE: Carbamidocyclophane B; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M-H]-
+DATE: 2024.04.30
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], M. Preisitsch [dtc], S. Mundt [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 978
+CH$NAME: Carbamidocyclophane B
+CH$NAME: (2R,3S,10R,11S)-8-(4-chlorobutyl)-16-(4,4-dichlorobutyl)-13,15,92,96-tetrahydroxy-3,11-dimethyl-1,9(1,4)-dibenzenacyclohexadecaphane-2,10-diyl dicarbamate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C38H55Cl3N2O8
+CH$EXACT_MASS: 772.3023998
+CH$SMILES: C[C@H]1CCCCC(C2=C(C=C(C=C2O)[C@@H]([C@H](CCCCC(C3=C(C=C([C@@H]1OC(=O)N)C=C3O)O)CCCC(Cl)Cl)C)OC(=O)N)O)CCCCCl
+CH$IUPAC: InChI=1S/C38H55Cl3N2O8/c1-22-10-3-5-12-24(14-7-8-17-39)33-28(44)18-26(19-29(33)45)35(50-37(42)48)23(2)11-4-6-13-25(15-9-16-32(40)41)34-30(46)20-27(21-31(34)47)36(22)51-38(43)49/h18-25,32,35-36,44-47H,3-17H2,1-2H3,(H2,42,48)(H2,43,49)/t22-,23-,24?,25?,35+,36+/m0/s1
+CH$LINK: PUBCHEM CID:16215903
+CH$LINK: INCHIKEY PXEFELGJKKNAPC-BSSQUUOISA-N
+CH$LINK: CHEMSPIDER 17214516
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 53-805
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.791 min
+MS$FOCUSED_ION: BASE_PEAK 773.293
+MS$FOCUSED_ION: PRECURSOR_M/Z 771.2951
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 151342625.46
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-007a-0000015900-1087b03f8d74d9050d63
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  595.3199 C33H51Cl2NO4- 6 595.3201 -0.21
+  638.3271 C34H52Cl2N2O5- 2 638.3259 1.85
+  663.3654 C38H51N2O8- 1 663.3651 0.44
+  674.3029 C34H53Cl3N2O5- 2 674.3026 0.54
+  692.313 C37H52Cl2NO7- 1 692.3126 0.54
+  699.3425 C38H52ClN2O8- 1 699.3418 1
+  700.3465 C38H53ClN2O8- 1 700.3496 -4.42
+  710.2795 C37H51Cl3NO6- 1 710.2787 1.09
+  728.2903 C37H53Cl3NO7- 1 728.2893 1.41
+  735.3194 C38H53Cl2N2O8- 1 735.3184 1.26
+  771.2958 C38H54Cl3N2O8- 1 771.2951 0.85
+PK$NUM_PEAK: 11
+PK$PEAK: m/z int. rel.int.
+  595.3199 3504492 450
+  638.3271 1217951.9 156
+  663.3654 379864.1 48
+  674.3029 1282783.6 164
+  692.313 2462909.8 316
+  699.3425 3915043.8 503
+  700.3465 182560.1 23
+  710.2795 599239.9 77
+  728.2903 1579805.9 203
+  735.3194 7767510 999
+  771.2958 6465652 831
+//
diff --git a/Eawag/MSBNK-MLU-ED097853.txt b/Eawag/MSBNK-MLU-ED097853.txt
new file mode 100644
index 0000000000..7f34af62e6
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED097853.txt
@@ -0,0 +1,67 @@
+ACCESSION: MSBNK-MLU-ED097853
+RECORD_TITLE: Carbamidocyclophane B; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M-H]-
+DATE: 2024.04.30
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], M. Preisitsch [dtc], S. Mundt [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 978
+CH$NAME: Carbamidocyclophane B
+CH$NAME: (2R,3S,10R,11S)-8-(4-chlorobutyl)-16-(4,4-dichlorobutyl)-13,15,92,96-tetrahydroxy-3,11-dimethyl-1,9(1,4)-dibenzenacyclohexadecaphane-2,10-diyl dicarbamate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C38H55Cl3N2O8
+CH$EXACT_MASS: 772.3023998
+CH$SMILES: C[C@H]1CCCCC(C2=C(C=C(C=C2O)[C@@H]([C@H](CCCCC(C3=C(C=C([C@@H]1OC(=O)N)C=C3O)O)CCCC(Cl)Cl)C)OC(=O)N)O)CCCCCl
+CH$IUPAC: InChI=1S/C38H55Cl3N2O8/c1-22-10-3-5-12-24(14-7-8-17-39)33-28(44)18-26(19-29(33)45)35(50-37(42)48)23(2)11-4-6-13-25(15-9-16-32(40)41)34-30(46)20-27(21-31(34)47)36(22)51-38(43)49/h18-25,32,35-36,44-47H,3-17H2,1-2H3,(H2,42,48)(H2,43,49)/t22-,23-,24?,25?,35+,36+/m0/s1
+CH$LINK: PUBCHEM CID:16215903
+CH$LINK: INCHIKEY PXEFELGJKKNAPC-BSSQUUOISA-N
+CH$LINK: CHEMSPIDER 17214516
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 53-805
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.791 min
+MS$FOCUSED_ION: BASE_PEAK 773.293
+MS$FOCUSED_ION: PRECURSOR_M/Z 771.2951
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 151342625.46
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0002-0000098100-60d24252b1c0cc5e13c1
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  559.3438 C30H53Cl2N2O3- 4 559.3439 -0.13
+  577.306 C30H51Cl2O6- 5 577.3068 -1.48
+  595.32 C33H51Cl2NO4- 6 595.3201 -0.11
+  596.3227 C34H46NO8- 5 596.3229 -0.35
+  631.2965 C33H52Cl3NO4- 5 631.2967 -0.38
+  638.3266 C34H52Cl2N2O5- 2 638.3259 1.18
+  656.3367 C34H54Cl2N2O6- 2 656.3364 0.32
+  674.3029 C34H53Cl3N2O5- 2 674.3026 0.45
+  692.3136 C37H52Cl2NO7- 1 692.3126 1.33
+  699.3427 C38H52ClN2O8- 1 699.3418 1.27
+  735.3197 C38H53Cl2N2O8- 1 735.3184 1.67
+  771.2957 C38H54Cl3N2O8- 1 771.2951 0.77
+PK$NUM_PEAK: 12
+PK$PEAK: m/z int. rel.int.
+  559.3438 1393290.6 181
+  577.306 2760100 359
+  595.32 7665485.5 999
+  596.3227 294331.1 38
+  631.2965 1641221.2 213
+  638.3266 1426194.5 185
+  656.3367 3204664.5 417
+  674.3029 1090938.2 142
+  692.3136 2365358.2 308
+  699.3427 2061087.5 268
+  735.3197 1861711 242
+  771.2957 633735.4 82
+//
diff --git a/Eawag/MSBNK-MLU-ED097854.txt b/Eawag/MSBNK-MLU-ED097854.txt
new file mode 100644
index 0000000000..5dd5bb5613
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED097854.txt
@@ -0,0 +1,57 @@
+ACCESSION: MSBNK-MLU-ED097854
+RECORD_TITLE: Carbamidocyclophane B; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M-H]-
+DATE: 2024.04.30
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], M. Preisitsch [dtc], S. Mundt [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 978
+CH$NAME: Carbamidocyclophane B
+CH$NAME: (2R,3S,10R,11S)-8-(4-chlorobutyl)-16-(4,4-dichlorobutyl)-13,15,92,96-tetrahydroxy-3,11-dimethyl-1,9(1,4)-dibenzenacyclohexadecaphane-2,10-diyl dicarbamate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C38H55Cl3N2O8
+CH$EXACT_MASS: 772.3023998
+CH$SMILES: C[C@H]1CCCCC(C2=C(C=C(C=C2O)[C@@H]([C@H](CCCCC(C3=C(C=C([C@@H]1OC(=O)N)C=C3O)O)CCCC(Cl)Cl)C)OC(=O)N)O)CCCCCl
+CH$IUPAC: InChI=1S/C38H55Cl3N2O8/c1-22-10-3-5-12-24(14-7-8-17-39)33-28(44)18-26(19-29(33)45)35(50-37(42)48)23(2)11-4-6-13-25(15-9-16-32(40)41)34-30(46)20-27(21-31(34)47)36(22)51-38(43)49/h18-25,32,35-36,44-47H,3-17H2,1-2H3,(H2,42,48)(H2,43,49)/t22-,23-,24?,25?,35+,36+/m0/s1
+CH$LINK: PUBCHEM CID:16215903
+CH$LINK: INCHIKEY PXEFELGJKKNAPC-BSSQUUOISA-N
+CH$LINK: CHEMSPIDER 17214516
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 53-805
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.791 min
+MS$FOCUSED_ION: BASE_PEAK 773.293
+MS$FOCUSED_ION: PRECURSOR_M/Z 771.2951
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 151342625.46
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0002-0000091000-6f512009f663478d12ab
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  541.3322 C27H53Cl2NO5- 5 541.3306 2.91
+  549.3149 C29H52Cl3N2O- 6 549.3151 -0.3
+  567.3241 C36H43N2O4- 5 567.3228 2.28
+  577.3047 C30H51Cl2O6- 6 577.3068 -3.7
+  595.3203 C33H51Cl2NO4- 6 595.3201 0.41
+  631.2965 C33H52Cl3NO4- 5 631.2967 -0.38
+  656.3367 C34H54Cl2N2O6- 2 656.3364 0.32
+PK$NUM_PEAK: 7
+PK$PEAK: m/z int. rel.int.
+  541.3322 822240.4 117
+  549.3149 182416.1 26
+  567.3241 276890.6 39
+  577.3047 2788929.2 397
+  595.3203 7004692 999
+  631.2965 772279 110
+  656.3367 869201.3 123
+//
diff --git a/Eawag/MSBNK-MLU-ED098351.txt b/Eawag/MSBNK-MLU-ED098351.txt
new file mode 100644
index 0000000000..a9bd5f2eff
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED098351.txt
@@ -0,0 +1,59 @@
+ACCESSION: MSBNK-MLU-ED098351
+RECORD_TITLE: Carbamidocyclophane A; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M-H]-
+DATE: 2024.04.30
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], M. Preisitsch [dtc], S. Mundt [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 983
+CH$NAME: Carbamidocyclophane A
+CH$NAME: (2R,3S,10R,11S)-8,16-bis(4,4-dichlorobutyl)-13,15,92,96-tetrahydroxy-3,11-dimethyl-1,9(1,4)-dibenzenacyclohexadecaphane-2,10-diyl dicarbamate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C38H54Cl4N2O8
+CH$EXACT_MASS: 806.2634274
+CH$SMILES: C[C@H]1CCCCC(C2=C(C=C(C=C2O)[C@@H]([C@H](CCCCC(C3=C(C=C([C@@H]1OC(=O)N)C=C3O)O)CCCC(Cl)Cl)C)OC(=O)N)O)CCCC(Cl)Cl
+CH$IUPAC: InChI=1S/C38H54Cl4N2O8/c1-21-9-3-5-11-23(13-7-15-31(39)40)34-29(47)19-26(20-30(34)48)36(52-38(44)50)22(2)10-4-6-12-24(14-8-16-32(41)42)33-27(45)17-25(18-28(33)46)35(21)51-37(43)49/h17-24,31-32,35-36,45-48H,3-16H2,1-2H3,(H2,43,49)(H2,44,50)/t21-,22-,23?,24?,35+,36+/m0/s1
+CH$LINK: PUBCHEM CID:16215902
+CH$LINK: INCHIKEY KQQDTKLGLAIGOF-TXPPAELQSA-N
+CH$LINK: CHEMSPIDER 17343539
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 56-840
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.066 min
+MS$FOCUSED_ION: BASE_PEAK 807.2539
+MS$FOCUSED_ION: PRECURSOR_M/Z 805.2562
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 129969234.23
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0a4i-0000000490-bcc0d65fe13f1d8c8244
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  672.2886 C34H51Cl3N2O5- 2 672.2869 2.49
+  708.264 C34H52Cl4N2O5- 2 708.2636 0.62
+  726.2745 C37H51Cl3NO7- 1 726.2737 1.2
+  733.3036 C38H51Cl2N2O8- 1 733.3028 1.14
+  744.2412 C37H50Cl4NO6- 1 744.2398 1.95
+  762.2517 C37H52Cl4NO7- 1 762.2503 1.76
+  769.2802 C38H52Cl3N2O8- 1 769.2795 0.97
+  805.2566 C38H53Cl4N2O8- 1 805.2562 0.59
+PK$NUM_PEAK: 8
+PK$PEAK: m/z int. rel.int.
+  672.2886 467975.2 19
+  708.264 406086.4 16
+  726.2745 425888.4 17
+  733.3036 2293485.5 94
+  744.2412 392364.9 16
+  762.2517 648331.2 26
+  769.2802 8624462 356
+  805.2566 24164000 999
+//
diff --git a/Eawag/MSBNK-MLU-ED098352.txt b/Eawag/MSBNK-MLU-ED098352.txt
new file mode 100644
index 0000000000..c4a5546186
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED098352.txt
@@ -0,0 +1,65 @@
+ACCESSION: MSBNK-MLU-ED098352
+RECORD_TITLE: Carbamidocyclophane A; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M-H]-
+DATE: 2024.04.30
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], M. Preisitsch [dtc], S. Mundt [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 983
+CH$NAME: Carbamidocyclophane A
+CH$NAME: (2R,3S,10R,11S)-8,16-bis(4,4-dichlorobutyl)-13,15,92,96-tetrahydroxy-3,11-dimethyl-1,9(1,4)-dibenzenacyclohexadecaphane-2,10-diyl dicarbamate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C38H54Cl4N2O8
+CH$EXACT_MASS: 806.2634274
+CH$SMILES: C[C@H]1CCCCC(C2=C(C=C(C=C2O)[C@@H]([C@H](CCCCC(C3=C(C=C([C@@H]1OC(=O)N)C=C3O)O)CCCC(Cl)Cl)C)OC(=O)N)O)CCCC(Cl)Cl
+CH$IUPAC: InChI=1S/C38H54Cl4N2O8/c1-21-9-3-5-11-23(13-7-15-31(39)40)34-29(47)19-26(20-30(34)48)36(52-38(44)50)22(2)10-4-6-12-24(14-8-16-32(41)42)33-27(45)17-25(18-28(33)46)35(21)51-37(43)49/h17-24,31-32,35-36,45-48H,3-16H2,1-2H3,(H2,43,49)(H2,44,50)/t21-,22-,23?,24?,35+,36+/m0/s1
+CH$LINK: PUBCHEM CID:16215902
+CH$LINK: INCHIKEY KQQDTKLGLAIGOF-TXPPAELQSA-N
+CH$LINK: CHEMSPIDER 17343539
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 56-840
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.066 min
+MS$FOCUSED_ION: BASE_PEAK 807.2539
+MS$FOCUSED_ION: PRECURSOR_M/Z 805.2562
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 129969234.23
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-067i-0000002930-abd463f78649d4af5e23
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  611.2682 C31H45Cl2N2O6- 8 611.266 3.65
+  654.3201 C37H49ClNO7- 2 654.3203 -0.29
+  672.2871 C34H51Cl3N2O5- 3 672.2869 0.22
+  690.2976 C34H53Cl3N2O6- 2 690.2975 0.14
+  697.3264 C38H50ClN2O8- 1 697.3261 0.35
+  708.2632 C37H49Cl3NO6- 2 708.2631 0.1
+  726.274 C37H51Cl3NO7- 1 726.2737 0.53
+  733.3038 C38H51Cl2N2O8- 1 733.3028 1.3
+  762.2505 C37H52Cl4NO7- 1 762.2503 0.23
+  769.2804 C38H52Cl3N2O8- 1 769.2795 1.21
+  805.2569 C38H53Cl4N2O8- 1 805.2562 0.97
+PK$NUM_PEAK: 11
+PK$PEAK: m/z int. rel.int.
+  611.2682 635589.2 103
+  654.3201 195447.7 31
+  672.2871 1013842.7 164
+  690.2976 1190003.4 193
+  697.3264 738335.8 119
+  708.2632 710720.9 115
+  726.274 1299213.2 210
+  733.3038 4161909 675
+  762.2505 921079.8 149
+  769.2804 6156928 999
+  805.2569 4658865.5 755
+//
diff --git a/Eawag/MSBNK-MLU-ED098353.txt b/Eawag/MSBNK-MLU-ED098353.txt
new file mode 100644
index 0000000000..b6f7cab6f1
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED098353.txt
@@ -0,0 +1,73 @@
+ACCESSION: MSBNK-MLU-ED098353
+RECORD_TITLE: Carbamidocyclophane A; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M-H]-
+DATE: 2024.04.30
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], M. Preisitsch [dtc], S. Mundt [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 983
+CH$NAME: Carbamidocyclophane A
+CH$NAME: (2R,3S,10R,11S)-8,16-bis(4,4-dichlorobutyl)-13,15,92,96-tetrahydroxy-3,11-dimethyl-1,9(1,4)-dibenzenacyclohexadecaphane-2,10-diyl dicarbamate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C38H54Cl4N2O8
+CH$EXACT_MASS: 806.2634274
+CH$SMILES: C[C@H]1CCCCC(C2=C(C=C(C=C2O)[C@@H]([C@H](CCCCC(C3=C(C=C([C@@H]1OC(=O)N)C=C3O)O)CCCC(Cl)Cl)C)OC(=O)N)O)CCCC(Cl)Cl
+CH$IUPAC: InChI=1S/C38H54Cl4N2O8/c1-21-9-3-5-11-23(13-7-15-31(39)40)34-29(47)19-26(20-30(34)48)36(52-38(44)50)22(2)10-4-6-12-24(14-8-16-32(41)42)33-27(45)17-25(18-28(33)46)35(21)51-37(43)49/h17-24,31-32,35-36,45-48H,3-16H2,1-2H3,(H2,43,49)(H2,44,50)/t21-,22-,23?,24?,35+,36+/m0/s1
+CH$LINK: PUBCHEM CID:16215902
+CH$LINK: INCHIKEY KQQDTKLGLAIGOF-TXPPAELQSA-N
+CH$LINK: CHEMSPIDER 17343539
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 56-840
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.066 min
+MS$FOCUSED_ION: BASE_PEAK 807.2539
+MS$FOCUSED_ION: PRECURSOR_M/Z 805.2562
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 129969234.23
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-004l-0000019300-74676e9735938960702f
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  575.2919 C27H52Cl3NO5- 7 575.2917 0.48
+  593.3052 C30H52Cl3N2O3- 4 593.3049 0.46
+  594.3071 C34H44NO8- 5 594.3072 -0.19
+  611.2679 C31H45Cl2N2O6- 8 611.266 3.15
+  629.2813 C33H50Cl3NO4- 6 629.2811 0.35
+  636.3102 C34H50Cl2N2O5- 3 636.3102 -0.01
+  654.3205 C37H49ClNO7- 2 654.3203 0.27
+  672.2871 C34H51Cl3N2O5- 3 672.2869 0.22
+  690.2977 C34H53Cl3N2O6- 2 690.2975 0.32
+  697.3276 C38H50ClN2O8- 1 697.3261 2.1
+  708.2621 C37H49Cl3NO6- 2 708.2631 -1.45
+  726.275 C37H51Cl3NO7- 1 726.2737 1.88
+  733.3041 C38H51Cl2N2O8- 1 733.3028 1.72
+  762.2506 C37H52Cl4NO7- 1 762.2503 0.31
+  769.2799 C38H52Cl3N2O8- 1 769.2795 0.5
+PK$NUM_PEAK: 15
+PK$PEAK: m/z int. rel.int.
+  575.2919 495071.7 95
+  593.3052 1635042.5 315
+  594.3071 79115.5 15
+  611.2679 2209419 426
+  629.2813 5181146.5 999
+  636.3102 282333.3 54
+  654.3205 504755.1 97
+  672.2871 1123849.2 216
+  690.2977 2148147 414
+  697.3276 523684 100
+  708.2621 463629.9 89
+  726.275 1053923 203
+  733.3041 1986241.9 382
+  762.2506 322010.6 62
+  769.2799 1078154.2 207
+//
diff --git a/Eawag/MSBNK-MLU-ED098354.txt b/Eawag/MSBNK-MLU-ED098354.txt
new file mode 100644
index 0000000000..0ca37a3b0a
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED098354.txt
@@ -0,0 +1,63 @@
+ACCESSION: MSBNK-MLU-ED098354
+RECORD_TITLE: Carbamidocyclophane A; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M-H]-
+DATE: 2024.04.30
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], M. Preisitsch [dtc], S. Mundt [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 983
+CH$NAME: Carbamidocyclophane A
+CH$NAME: (2R,3S,10R,11S)-8,16-bis(4,4-dichlorobutyl)-13,15,92,96-tetrahydroxy-3,11-dimethyl-1,9(1,4)-dibenzenacyclohexadecaphane-2,10-diyl dicarbamate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C38H54Cl4N2O8
+CH$EXACT_MASS: 806.2634274
+CH$SMILES: C[C@H]1CCCCC(C2=C(C=C(C=C2O)[C@@H]([C@H](CCCCC(C3=C(C=C([C@@H]1OC(=O)N)C=C3O)O)CCCC(Cl)Cl)C)OC(=O)N)O)CCCC(Cl)Cl
+CH$IUPAC: InChI=1S/C38H54Cl4N2O8/c1-21-9-3-5-11-23(13-7-15-31(39)40)34-29(47)19-26(20-30(34)48)36(52-38(44)50)22(2)10-4-6-12-24(14-8-16-32(41)42)33-27(45)17-25(18-28(33)46)35(21)51-37(43)49/h17-24,31-32,35-36,45-48H,3-16H2,1-2H3,(H2,43,49)(H2,44,50)/t21-,22-,23?,24?,35+,36+/m0/s1
+CH$LINK: PUBCHEM CID:16215902
+CH$LINK: INCHIKEY KQQDTKLGLAIGOF-TXPPAELQSA-N
+CH$LINK: CHEMSPIDER 17343539
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 56-840
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.066 min
+MS$FOCUSED_ION: BASE_PEAK 807.2539
+MS$FOCUSED_ION: PRECURSOR_M/Z 805.2562
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 129969234.23
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-004i-0000019000-cf79cae7dc804de8672c
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  557.3293 C30H51Cl2N2O3- 4 557.3282 2.01
+  565.309 C38H44ClNO- 6 565.3117 -4.77
+  575.2922 C27H52Cl3NO5- 7 575.2917 0.9
+  629.2809 C33H50Cl3NO4- 6 629.2811 -0.33
+  647.2962 C36H50Cl3N2O2- 1 647.2943 2.9
+  654.3185 C37H49ClNO7- 2 654.3203 -2.71
+  665.2594 C33H51Cl4NO4- 3 665.2578 2.48
+  672.2867 C34H51Cl3N2O5- 3 672.2869 -0.32
+  708.2656 C34H52Cl4N2O5- 2 708.2636 2.86
+  733.3026 C38H51Cl2N2O8- 1 733.3028 -0.28
+PK$NUM_PEAK: 10
+PK$PEAK: m/z int. rel.int.
+  557.3293 380868 65
+  565.309 128794.2 22
+  575.2922 1018388.9 176
+  629.2809 5778573 999
+  647.2962 1956454.6 338
+  654.3185 347900.2 60
+  665.2594 260169.7 44
+  672.2867 431556.5 74
+  708.2656 95518.7 16
+  733.3026 248238.3 42
+//
diff --git a/Eawag/MSBNK-MLU-ED110401.txt b/Eawag/MSBNK-MLU-ED110401.txt
new file mode 100644
index 0000000000..3ed65fa915
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED110401.txt
@@ -0,0 +1,87 @@
+ACCESSION: MSBNK-MLU-ED110401
+RECORD_TITLE: Cryptophycin A; LC-ESI-QFT; MS2; CE: 15%; R=17500; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Enke [dtc], H. Enke [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1104
+CH$NAME: Cryptophycin A
+CH$NAME: (3S,6R,10S,13E,16S)-10-[(3-chloro-4-methoxyphenyl)methyl]-6-methyl-3-(2-methylpropyl)-16-[(1S)-1-[(2R,3R)-3-phenyloxiran-2-yl]ethyl]-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C35H43ClN2O8
+CH$EXACT_MASS: 654.270794
+CH$SMILES: C[C@@H]1CNC(=O)[C@@H](NC(=O)/C=C/C[C@H](OC(=O)[C@@H](OC1=O)CC(C)C)[C@H](C)[C@@H]2[C@H](O2)C3=CC=CC=C3)CC4=CC(=C(C=C4)OC)Cl
+CH$IUPAC: InChI=1S/C35H43ClN2O8/c1-20(2)16-29-35(42)44-27(22(4)31-32(46-31)24-10-7-6-8-11-24)12-9-13-30(39)38-26(33(40)37-19-21(3)34(41)45-29)18-23-14-15-28(43-5)25(36)17-23/h6-11,13-15,17,20-22,26-27,29,31-32H,12,16,18-19H2,1-5H3,(H,37,40)(H,38,39)/b13-9+/t21-,22+,26+,27+,29+,31-,32-/m1/s1
+CH$LINK: PUBCHEM CID:6504906
+CH$LINK: INCHIKEY PSNOPSMXOBPNNV-XUMGCJJFSA-N
+CH$LINK: CHEMSPIDER 10474934
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-685
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.863 min
+MS$FOCUSED_ION: BASE_PEAK 655.2783
+MS$FOCUSED_ION: PRECURSOR_M/Z 655.2781
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 19374058.44
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0aor-0040209000-be30148856ff74e38d49
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  69.0335 C4H5O+ 1 69.0335 0.82
+  86.0598 C4H8NO+ 1 86.06 -2.95
+  87.0441 C4H7O2+ 1 87.0441 0.2
+  91.0543 C7H7+ 1 91.0542 1
+  109.0645 C7H9O+ 1 109.0648 -2.68
+  171.1015 C9H15O3+ 2 171.1016 -0.67
+  173.117 C9H17O3+ 2 173.1172 -1.12
+  183.1015 C10H15O3+ 2 183.1016 -0.43
+  184.0522 C9H11ClNO+ 2 184.0524 -0.87
+  218.1387 C10H20NO4+ 2 218.1387 0.06
+  227.1065 C15H15O2+ 2 227.1067 -0.8
+  245.1171 C15H17O3+ 2 245.1172 -0.44
+  320.1048 C17H19ClNO3+ 2 320.1048 0.01
+  405.1579 C21H26ClN2O4+ 3 405.1576 0.78
+  410.1517 C24H25ClNO3+ 2 410.1517 -0.02
+  428.1621 C24H27ClNO4+ 2 428.1623 -0.41
+  438.1465 C25H25ClNO4+ 2 438.1467 -0.27
+  443.2537 C25H35N2O5+ 2 443.254 -0.88
+  542.2306 C30H37ClNO6+ 3 542.2304 0.44
+  627.2831 C34H44ClN2O7+ 1 627.2832 -0.02
+  637.2665 C35H42ClN2O7+ 1 637.2675 -1.51
+  655.2778 C35H44ClN2O8+ 1 655.2781 -0.45
+PK$NUM_PEAK: 22
+PK$PEAK: m/z int. rel.int.
+  69.0335 315314.7 37
+  86.0598 143274.9 16
+  87.0441 150298.1 17
+  91.0543 157597.2 18
+  109.0645 112945.7 13
+  171.1015 85936 10
+  173.117 86596.9 10
+  183.1015 342754.3 40
+  184.0522 542831 64
+  218.1387 4598576 542
+  227.1065 638970.8 75
+  245.1171 269153.4 31
+  320.1048 94074.5 11
+  405.1579 84764.7 9
+  410.1517 1376613 162
+  428.1621 304086.8 35
+  438.1465 1375450.4 162
+  443.2537 114693.6 13
+  542.2306 976860.8 115
+  627.2831 2450258.2 289
+  637.2665 265422.9 31
+  655.2778 8468158 999
+//
diff --git a/Eawag/MSBNK-MLU-ED110402.txt b/Eawag/MSBNK-MLU-ED110402.txt
new file mode 100644
index 0000000000..a71359056a
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED110402.txt
@@ -0,0 +1,135 @@
+ACCESSION: MSBNK-MLU-ED110402
+RECORD_TITLE: Cryptophycin A; LC-ESI-QFT; MS2; CE: 20%; R=17500; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Enke [dtc], H. Enke [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1104
+CH$NAME: Cryptophycin A
+CH$NAME: (3S,6R,10S,13E,16S)-10-[(3-chloro-4-methoxyphenyl)methyl]-6-methyl-3-(2-methylpropyl)-16-[(1S)-1-[(2R,3R)-3-phenyloxiran-2-yl]ethyl]-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C35H43ClN2O8
+CH$EXACT_MASS: 654.270794
+CH$SMILES: C[C@@H]1CNC(=O)[C@@H](NC(=O)/C=C/C[C@H](OC(=O)[C@@H](OC1=O)CC(C)C)[C@H](C)[C@@H]2[C@H](O2)C3=CC=CC=C3)CC4=CC(=C(C=C4)OC)Cl
+CH$IUPAC: InChI=1S/C35H43ClN2O8/c1-20(2)16-29-35(42)44-27(22(4)31-32(46-31)24-10-7-6-8-11-24)12-9-13-30(39)38-26(33(40)37-19-21(3)34(41)45-29)18-23-14-15-28(43-5)25(36)17-23/h6-11,13-15,17,20-22,26-27,29,31-32H,12,16,18-19H2,1-5H3,(H,37,40)(H,38,39)/b13-9+/t21-,22+,26+,27+,29+,31-,32-/m1/s1
+CH$LINK: PUBCHEM CID:6504906
+CH$LINK: INCHIKEY PSNOPSMXOBPNNV-XUMGCJJFSA-N
+CH$LINK: CHEMSPIDER 10474934
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-685
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.863 min
+MS$FOCUSED_ION: BASE_PEAK 655.2783
+MS$FOCUSED_ION: PRECURSOR_M/Z 655.2781
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 19374058.44
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00or-2390305000-dfbda77e5fd639ab7deb
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  69.0336 C4H5O+ 1 69.0335 1.26
+  69.0698 C5H9+ 1 69.0699 -1.63
+  81.0335 C5H5O+ 1 81.0335 0.26
+  86.06 C4H8NO+ 1 86.06 -0.47
+  87.0441 C4H7O2+ 1 87.0441 0.2
+  91.0539 C7H7+ 1 91.0542 -3.78
+  104.0706 C4H10NO2+ 2 104.0706 0.01
+  105.0334 C7H5O+ 1 105.0335 -0.96
+  109.0648 C7H9O+ 2 109.0648 -0.3
+  126.0913 C7H12NO+ 2 126.0913 -0.36
+  155.0254 C8H8ClO+ 1 155.0258 -2.53
+  159.0803 C11H11O+ 2 159.0804 -1.09
+  161.117 C8H17O3+ 2 161.1172 -1.15
+  162.1123 C7H16NO3+ 2 162.1125 -0.99
+  171.1016 C9H15O3+ 2 171.1016 0.31
+  173.1172 C9H17O3+ 2 173.1172 0.11
+  181.1009 C14H13+ 1 181.1012 -1.49
+  183.1015 C10H15O3+ 2 183.1016 -0.18
+  184.0523 C9H11ClNO+ 2 184.0524 -0.37
+  185.096 C13H13O+ 2 185.0961 -0.64
+  196.0523 C10H11ClNO+ 2 196.0524 -0.41
+  199.1117 C14H15O+ 2 199.1117 0.02
+  209.0961 C15H13O+ 2 209.0961 0.15
+  218.1387 C10H20NO4+ 2 218.1387 -0.01
+  227.1065 C15H15O2+ 2 227.1067 -0.47
+  244.1335 C12H21ClN2O+ 2 244.1337 -0.8
+  245.1172 C15H17O3+ 2 245.1172 -0.13
+  252.0785 C13H15ClNO2+ 2 252.0786 -0.26
+  290.0944 C16H17ClNO2+ 2 290.0942 0.66
+  292.1098 C16H19ClNO2+ 2 292.1099 -0.35
+  297.1002 C14H18ClN2O3+ 2 297.1 0.44
+  312.1588 C19H22NO3+ 3 312.1594 -2.08
+  320.105 C17H19ClNO3+ 2 320.1048 0.48
+  384.157 C19H27ClNO5+ 2 384.1572 -0.52
+  392.1407 C27H20O3+ 2 392.1407 0.09
+  405.1575 C21H26ClN2O4+ 2 405.1576 -0.2
+  410.1517 C24H25ClNO3+ 2 410.1517 -0.09
+  428.1624 C24H27ClNO4+ 2 428.1623 0.09
+  429.1784 C23H27NO7+ 2 429.1782 0.54
+  438.1465 C25H25ClNO4+ 2 438.1467 -0.27
+  443.2537 C25H35N2O5+ 2 443.254 -0.88
+  542.2306 C30H37ClNO6+ 3 542.2304 0.32
+  610.2565 C34H41ClNO7+ 1 610.2566 -0.13
+  627.2829 C34H44ClN2O7+ 1 627.2832 -0.41
+  637.2667 C35H42ClN2O7+ 1 637.2675 -1.22
+  655.2777 C35H44ClN2O8+ 1 655.2781 -0.54
+PK$NUM_PEAK: 46
+PK$PEAK: m/z int. rel.int.
+  69.0336 759687.2 134
+  69.0698 66763.1 11
+  81.0335 108836.5 19
+  86.06 607425.4 107
+  87.0441 176982.5 31
+  91.0539 781778.2 137
+  104.0706 126792.3 22
+  105.0334 146113.8 25
+  109.0648 906818.9 160
+  126.0913 160121.5 28
+  155.0254 136725.4 24
+  159.0803 126351.6 22
+  161.117 71702.3 12
+  162.1123 94867.5 16
+  171.1016 266648.7 47
+  173.1172 131968.3 23
+  181.1009 89459 15
+  183.1015 259049.9 45
+  184.0523 1347907.9 237
+  185.096 112187.1 19
+  196.0523 121021.5 21
+  199.1117 392024.7 69
+  209.0961 158055.5 27
+  218.1387 5659749 999
+  227.1065 2644022 466
+  244.1335 129221.2 22
+  245.1172 802922.8 141
+  252.0785 856281.4 151
+  290.0944 59803.8 10
+  292.1098 573194.7 101
+  297.1002 190613.2 33
+  312.1588 82656.1 14
+  320.105 212447.8 37
+  384.157 622755.1 109
+  392.1407 96410.1 17
+  405.1575 145482.4 25
+  410.1517 2355783.2 415
+  428.1624 495338.7 87
+  429.1784 117483.9 20
+  438.1465 962428.4 169
+  443.2537 248176.6 43
+  542.2306 573607 101
+  610.2565 80131.2 14
+  627.2829 4244123 749
+  637.2667 218338.7 38
+  655.2777 1733977 306
+//
diff --git a/Eawag/MSBNK-MLU-ED110403.txt b/Eawag/MSBNK-MLU-ED110403.txt
new file mode 100644
index 0000000000..b5a0a935c9
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED110403.txt
@@ -0,0 +1,163 @@
+ACCESSION: MSBNK-MLU-ED110403
+RECORD_TITLE: Cryptophycin A; LC-ESI-QFT; MS2; CE: 25%; R=17500; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Enke [dtc], H. Enke [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1104
+CH$NAME: Cryptophycin A
+CH$NAME: (3S,6R,10S,13E,16S)-10-[(3-chloro-4-methoxyphenyl)methyl]-6-methyl-3-(2-methylpropyl)-16-[(1S)-1-[(2R,3R)-3-phenyloxiran-2-yl]ethyl]-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C35H43ClN2O8
+CH$EXACT_MASS: 654.270794
+CH$SMILES: C[C@@H]1CNC(=O)[C@@H](NC(=O)/C=C/C[C@H](OC(=O)[C@@H](OC1=O)CC(C)C)[C@H](C)[C@@H]2[C@H](O2)C3=CC=CC=C3)CC4=CC(=C(C=C4)OC)Cl
+CH$IUPAC: InChI=1S/C35H43ClN2O8/c1-20(2)16-29-35(42)44-27(22(4)31-32(46-31)24-10-7-6-8-11-24)12-9-13-30(39)38-26(33(40)37-19-21(3)34(41)45-29)18-23-14-15-28(43-5)25(36)17-23/h6-11,13-15,17,20-22,26-27,29,31-32H,12,16,18-19H2,1-5H3,(H,37,40)(H,38,39)/b13-9+/t21-,22+,26+,27+,29+,31-,32-/m1/s1
+CH$LINK: PUBCHEM CID:6504906
+CH$LINK: INCHIKEY PSNOPSMXOBPNNV-XUMGCJJFSA-N
+CH$LINK: CHEMSPIDER 10474934
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-685
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.863 min
+MS$FOCUSED_ION: BASE_PEAK 655.2783
+MS$FOCUSED_ION: PRECURSOR_M/Z 655.2781
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 19374058.44
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00or-4790101000-f1963e1b6dc1a9e593ab
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  57.0337 C3H5O+ 1 57.0335 2.8
+  69.0336 C4H5O+ 1 69.0335 1.37
+  69.0699 C5H9+ 1 69.0699 0.58
+  75.0439 C3H7O2+ 1 75.0441 -2.25
+  81.0335 C5H5O+ 1 81.0335 -0.21
+  81.0699 C6H9+ 1 81.0699 -0.22
+  86.06 C4H8NO+ 1 86.06 -0.11
+  87.0441 C4H7O2+ 1 87.0441 -0.06
+  91.0541 C7H7+ 1 91.0542 -1.01
+  104.0706 C4H10NO2+ 2 104.0706 0.23
+  105.0335 C7H5O+ 2 105.0335 -0.16
+  109.0648 C7H9O+ 2 109.0648 0.12
+  119.0488 C8H7O+ 1 119.0491 -3.14
+  126.0913 C7H12NO+ 2 126.0913 0
+  130.0497 C5H8NO3+ 2 130.0499 -1.06
+  131.0851 C10H11+ 1 131.0855 -3.21
+  137.0595 C8H9O2+ 1 137.0597 -1.79
+  143.0856 C11H11+ 1 143.0855 0.53
+  143.1062 C8H15O2+ 1 143.1067 -2.85
+  145.065 C10H9O+ 2 145.0648 1.55
+  155.0255 C8H8ClO+ 1 155.0258 -1.84
+  159.0803 C11H11O+ 2 159.0804 -0.99
+  161.117 C8H17O3+ 2 161.1172 -1.44
+  162.1123 C7H16NO3+ 2 162.1125 -0.99
+  171.08 C12H11O+ 1 171.0804 -2.75
+  171.1016 C9H15O3+ 2 171.1016 0.04
+  181.1012 C14H13+ 1 181.1012 -0.06
+  183.1013 C10H15O3+ 2 183.1016 -1.26
+  184.0523 C9H11ClNO+ 2 184.0524 -0.29
+  185.096 C13H13O+ 2 185.0961 -0.39
+  194.1175 C11H16NO2+ 2 194.1176 -0.29
+  195.0209 C10H8ClO2+ 1 195.0207 1
+  196.0523 C10H11ClNO+ 2 196.0524 -0.33
+  199.1117 C14H15O+ 2 199.1117 -0.37
+  209.0961 C15H13O+ 2 209.0961 -0.14
+  210.0682 C11H13ClNO+ 2 210.068 0.95
+  218.1387 C10H20NO4+ 2 218.1387 -0.01
+  226.1223 C15H16NO+ 2 226.1226 -1.47
+  227.1066 C15H15O2+ 2 227.1067 -0.4
+  245.1172 C15H17O3+ 2 245.1172 -0.07
+  252.0785 C13H15ClNO2+ 2 252.0786 -0.26
+  262.0629 C14H13ClNO2+ 2 262.0629 -0.08
+  270.0894 C13H17ClNO3+ 2 270.0891 0.81
+  280.0734 C14H15ClNO3+ 2 280.0735 -0.23
+  290.0941 C16H17ClNO2+ 2 290.0942 -0.39
+  292.1098 C16H19ClNO2+ 2 292.1099 -0.25
+  297.1001 C14H18ClN2O3+ 2 297.1 0.03
+  312.159 C19H22NO3+ 2 312.1594 -1.3
+  320.1052 C17H19ClNO3+ 2 320.1048 1.15
+  405.1586 C21H26ClN2O4+ 3 405.1576 2.51
+  410.1517 C24H25ClNO3+ 2 410.1517 -0.17
+  428.162 C27H24O5+ 2 428.1618 0.45
+  429.1783 C23H27NO7+ 2 429.1782 0.32
+  438.1469 C25H25ClNO4+ 3 438.1467 0.49
+  443.253 C25H35N2O5+ 3 443.254 -2.32
+  542.2304 C30H37ClNO6+ 3 542.2304 0.1
+  610.2567 C34H41ClNO7+ 1 610.2566 0.07
+  627.2828 C34H44ClN2O7+ 1 627.2832 -0.51
+  637.2665 C35H42ClN2O7+ 1 637.2675 -1.51
+  655.2771 C35H44ClN2O8+ 1 655.2781 -1.47
+PK$NUM_PEAK: 60
+PK$PEAK: m/z int. rel.int.
+  57.0337 97950.5 34
+  69.0336 801744.8 283
+  69.0699 57005.5 20
+  75.0439 38238.3 13
+  81.0335 174993.9 61
+  81.0699 221931.2 78
+  86.06 885425.4 313
+  87.0441 81958.9 28
+  91.0541 1820047.6 643
+  104.0706 163347 57
+  105.0335 248187.3 87
+  109.0648 2055928.6 727
+  119.0488 45232.5 16
+  126.0913 422550.2 149
+  130.0497 34880.7 12
+  131.0851 40159.7 14
+  137.0595 29824.6 10
+  143.0856 34216.1 12
+  143.1062 50049.5 17
+  145.065 49922.2 17
+  155.0255 392590.6 138
+  159.0803 215108.7 76
+  161.117 102323.9 36
+  162.1123 133129.9 47
+  171.08 50916.2 18
+  171.1016 293270.9 103
+  181.1012 194005.8 68
+  183.1013 79331.5 28
+  184.0523 1528769.9 540
+  185.096 125219.2 44
+  194.1175 111607.6 39
+  195.0209 84303.3 29
+  196.0523 521067.1 184
+  199.1117 867083.6 306
+  209.0961 280868.3 99
+  210.0682 60090.2 21
+  218.1387 2824025.2 999
+  226.1223 45234.5 16
+  227.1066 2534718.2 896
+  245.1172 555153.9 196
+  252.0785 1652922.6 584
+  262.0629 91965.9 32
+  270.0894 70915.7 25
+  280.0734 71251.5 25
+  290.0941 75878.1 26
+  292.1098 680872.8 240
+  297.1001 119984.2 42
+  312.159 141947.3 50
+  320.1052 115499.7 40
+  405.1586 51670.2 18
+  410.1517 939188.6 332
+  428.162 221714.3 78
+  429.1783 36305.7 12
+  438.1469 176991.4 62
+  443.253 189722.6 67
+  542.2304 79928.2 28
+  610.2567 64618.5 22
+  627.2828 1662916.4 588
+  637.2665 59033.2 20
+  655.2771 117049.9 41
+//
diff --git a/Eawag/MSBNK-MLU-ED110404.txt b/Eawag/MSBNK-MLU-ED110404.txt
new file mode 100644
index 0000000000..d92aac4f9d
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED110404.txt
@@ -0,0 +1,179 @@
+ACCESSION: MSBNK-MLU-ED110404
+RECORD_TITLE: Cryptophycin A; LC-ESI-QFT; MS2; CE: 30%; R=17500; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Enke [dtc], H. Enke [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1104
+CH$NAME: Cryptophycin A
+CH$NAME: (3S,6R,10S,13E,16S)-10-[(3-chloro-4-methoxyphenyl)methyl]-6-methyl-3-(2-methylpropyl)-16-[(1S)-1-[(2R,3R)-3-phenyloxiran-2-yl]ethyl]-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C35H43ClN2O8
+CH$EXACT_MASS: 654.270794
+CH$SMILES: C[C@@H]1CNC(=O)[C@@H](NC(=O)/C=C/C[C@H](OC(=O)[C@@H](OC1=O)CC(C)C)[C@H](C)[C@@H]2[C@H](O2)C3=CC=CC=C3)CC4=CC(=C(C=C4)OC)Cl
+CH$IUPAC: InChI=1S/C35H43ClN2O8/c1-20(2)16-29-35(42)44-27(22(4)31-32(46-31)24-10-7-6-8-11-24)12-9-13-30(39)38-26(33(40)37-19-21(3)34(41)45-29)18-23-14-15-28(43-5)25(36)17-23/h6-11,13-15,17,20-22,26-27,29,31-32H,12,16,18-19H2,1-5H3,(H,37,40)(H,38,39)/b13-9+/t21-,22+,26+,27+,29+,31-,32-/m1/s1
+CH$LINK: PUBCHEM CID:6504906
+CH$LINK: INCHIKEY PSNOPSMXOBPNNV-XUMGCJJFSA-N
+CH$LINK: CHEMSPIDER 10474934
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-685
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.863 min
+MS$FOCUSED_ION: BASE_PEAK 655.2783
+MS$FOCUSED_ION: PRECURSOR_M/Z 655.2781
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 19374058.44
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0k9y-5950000000-b240156edc4f8f1f5783
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  55.0179 C3H3O+ 1 55.0178 0.94
+  57.0336 C3H5O+ 1 57.0335 2.47
+  69.0336 C4H5O+ 1 69.0335 1.59
+  69.0699 C5H9+ 1 69.0699 0.58
+  75.044 C3H7O2+ 1 75.0441 -1.03
+  79.054 C6H7+ 1 79.0542 -2.62
+  81.0335 C5H5O+ 1 81.0335 0.45
+  81.0699 C6H9+ 1 81.0699 0.16
+  86.06 C4H8NO+ 1 86.06 0.07
+  87.044 C4H7O2+ 1 87.0441 -0.94
+  91.0542 C7H7+ 1 91.0542 -0.34
+  104.0706 C4H10NO2+ 2 104.0706 -0.14
+  105.0335 C7H5O+ 2 105.0335 -0.09
+  107.0492 C7H7O+ 2 107.0491 0.98
+  109.0648 C7H9O+ 2 109.0648 0.05
+  119.049 C8H7O+ 1 119.0491 -1.02
+  121.0648 C8H9O+ 2 121.0648 0.46
+  126.0913 C7H12NO+ 2 126.0913 0
+  129.0697 C10H9+ 1 129.0699 -1.35
+  130.05 C5H8NO3+ 2 130.0499 0.94
+  131.0854 C10H11+ 1 131.0855 -0.77
+  137.0595 C8H9O2+ 2 137.0597 -1.35
+  143.0856 C11H11+ 1 143.0855 0.53
+  143.1063 C8H15O2+ 1 143.1067 -2.43
+  145.0645 C10H9O+ 1 145.0648 -1.71
+  148.0758 C9H10NO+ 2 148.0757 0.56
+  155.0256 C8H8ClO+ 1 155.0258 -1.35
+  157.1012 C12H13+ 1 157.1012 0.31
+  159.0803 C11H11O+ 2 159.0804 -1.19
+  160.0755 C10H10NO+ 2 160.0757 -1.12
+  161.0834 C10H11NO+ 2 161.0835 -0.78
+  161.1171 C8H17O3+ 2 161.1172 -0.77
+  162.1124 C7H16NO3+ 2 162.1125 -0.33
+  169.0414 C9H10ClO+ 1 169.0415 -0.57
+  171.0202 C8H8ClO2+ 1 171.0207 -3.11
+  171.0803 C12H11O+ 2 171.0804 -0.7
+  171.1014 C9H15O3+ 2 171.1016 -0.76
+  171.1168 C13H15+ 1 171.1168 -0.12
+  181.1011 C14H13+ 1 181.1012 -0.65
+  184.0523 C9H11ClNO+ 2 184.0524 -0.37
+  185.0961 C13H13O+ 2 185.0961 0.27
+  194.1176 C11H16NO2+ 2 194.1176 0.42
+  195.0209 C10H8ClO2+ 1 195.0207 0.68
+  196.0523 C10H11ClNO+ 2 196.0524 -0.18
+  199.1116 C14H15O+ 2 199.1117 -0.52
+  209.0961 C15H13O+ 2 209.0961 -0.14
+  210.0681 C11H13ClNO+ 2 210.068 0.37
+  213.0312 C10H10ClO3+ 1 213.0313 -0.41
+  218.1387 C10H20NO4+ 2 218.1387 -0.08
+  224.0835 C12H15ClNO+ 2 224.0837 -0.69
+  226.1225 C15H16NO+ 2 226.1226 -0.79
+  227.1066 C15H15O2+ 2 227.1067 -0.33
+  244.1335 C12H21ClN2O+ 2 244.1337 -0.8
+  245.1173 C15H17O3+ 2 245.1172 0.37
+  252.0785 C13H15ClNO2+ 2 252.0786 -0.38
+  262.063 C14H13ClNO2+ 2 262.0629 0.26
+  270.0891 C13H17ClNO3+ 2 270.0891 -0.21
+  280.0741 C14H15ClNO3+ 2 280.0735 2.06
+  290.0945 C16H17ClNO2+ 2 290.0942 0.87
+  292.1098 C16H19ClNO2+ 2 292.1099 -0.35
+  297.1001 C14H18ClN2O3+ 2 297.1 0.13
+  312.1593 C19H22NO3+ 2 312.1594 -0.23
+  320.1047 C17H19ClNO3+ 2 320.1048 -0.28
+  384.1571 C19H27ClNO5+ 2 384.1572 -0.44
+  392.1402 C27H20O3+ 3 392.1407 -1.16
+  428.1607 C27H24O5+ 3 428.1618 -2.62
+  443.2539 C25H35N2O5+ 3 443.254 -0.39
+  627.2829 C34H44ClN2O7+ 1 627.2832 -0.41
+PK$NUM_PEAK: 68
+PK$PEAK: m/z int. rel.int.
+  55.0179 48256.8 11
+  57.0336 213850.8 53
+  69.0336 943537.9 234
+  69.0699 76920.6 19
+  75.044 50624.5 12
+  79.054 64123.1 15
+  81.0335 325771.8 80
+  81.0699 677098.3 168
+  86.06 1211726 301
+  87.044 59158.5 14
+  91.0542 4020671.8 999
+  104.0706 226388.2 56
+  105.0335 492080.4 122
+  107.0492 41917.7 10
+  109.0648 3614861.5 898
+  119.049 50391.9 12
+  121.0648 51643.1 12
+  126.0913 739016.1 183
+  129.0697 52041.8 12
+  130.05 50526.6 12
+  131.0854 106820 26
+  137.0595 48191 11
+  143.0856 60548.6 15
+  143.1063 51688.6 12
+  145.0645 116319.7 28
+  148.0758 45490.9 11
+  155.0256 933751.9 232
+  157.1012 45127.5 11
+  159.0803 381296.9 94
+  160.0755 88217.3 21
+  161.0834 85656.7 21
+  161.1171 163306.1 40
+  162.1124 133110.2 33
+  169.0414 73283.9 18
+  171.0202 50088.3 12
+  171.0803 92455.9 22
+  171.1014 279011.7 69
+  171.1168 52672.5 13
+  181.1011 360995.2 89
+  184.0523 1818614 451
+  185.0961 174569.8 43
+  194.1176 236150 58
+  195.0209 109047.3 27
+  196.0523 1490206.6 370
+  199.1116 1308393.9 325
+  209.0961 454679.5 112
+  210.0681 115364.1 28
+  213.0312 51222.7 12
+  218.1387 1624257.6 403
+  224.0835 180471.8 44
+  226.1225 73464.3 18
+  227.1066 1974887.9 490
+  244.1335 77559.8 19
+  245.1173 273082.2 67
+  252.0785 2191159.2 544
+  262.063 127705.4 31
+  270.0891 169288 42
+  280.0741 66593.4 16
+  290.0945 62073.8 15
+  292.1098 640558.1 159
+  297.1001 85494.9 21
+  312.1593 129880.5 32
+  320.1047 51002.9 12
+  384.1571 992085.2 246
+  392.1402 41517.4 10
+  428.1607 78426.5 19
+  443.2539 108483.4 26
+  627.2829 405638.3 100
+//
diff --git a/Eawag/MSBNK-MLU-ED110405.txt b/Eawag/MSBNK-MLU-ED110405.txt
new file mode 100644
index 0000000000..5ec2c68694
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED110405.txt
@@ -0,0 +1,137 @@
+ACCESSION: MSBNK-MLU-ED110405
+RECORD_TITLE: Cryptophycin A; LC-ESI-QFT; MS2; CE: 40%; R=17500; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Enke [dtc], H. Enke [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1104
+CH$NAME: Cryptophycin A
+CH$NAME: (3S,6R,10S,13E,16S)-10-[(3-chloro-4-methoxyphenyl)methyl]-6-methyl-3-(2-methylpropyl)-16-[(1S)-1-[(2R,3R)-3-phenyloxiran-2-yl]ethyl]-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C35H43ClN2O8
+CH$EXACT_MASS: 654.270794
+CH$SMILES: C[C@@H]1CNC(=O)[C@@H](NC(=O)/C=C/C[C@H](OC(=O)[C@@H](OC1=O)CC(C)C)[C@H](C)[C@@H]2[C@H](O2)C3=CC=CC=C3)CC4=CC(=C(C=C4)OC)Cl
+CH$IUPAC: InChI=1S/C35H43ClN2O8/c1-20(2)16-29-35(42)44-27(22(4)31-32(46-31)24-10-7-6-8-11-24)12-9-13-30(39)38-26(33(40)37-19-21(3)34(41)45-29)18-23-14-15-28(43-5)25(36)17-23/h6-11,13-15,17,20-22,26-27,29,31-32H,12,16,18-19H2,1-5H3,(H,37,40)(H,38,39)/b13-9+/t21-,22+,26+,27+,29+,31-,32-/m1/s1
+CH$LINK: PUBCHEM CID:6504906
+CH$LINK: INCHIKEY PSNOPSMXOBPNNV-XUMGCJJFSA-N
+CH$LINK: CHEMSPIDER 10474934
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-685
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.863 min
+MS$FOCUSED_ION: BASE_PEAK 655.2783
+MS$FOCUSED_ION: PRECURSOR_M/Z 655.2781
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 19374058.44
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-052f-7910000000-c9ceb50dfbb89086a266
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  57.0337 C3H5O+ 2 57.0335 3.81
+  69.0336 C4H5O+ 1 69.0335 1.59
+  79.0542 C6H7+ 1 79.0542 -0.79
+  81.0335 C5H5O+ 1 81.0335 0.54
+  81.0699 C6H9+ 1 81.0699 0.25
+  86.0601 C4H8NO+ 1 86.06 0.15
+  91.0542 C7H7+ 1 91.0542 -0.09
+  104.0706 C4H10NO2+ 2 104.0706 -0.14
+  105.0335 C7H5O+ 2 105.0335 -0.16
+  107.0491 C7H7O+ 1 107.0491 -0.66
+  109.0648 C7H9O+ 2 109.0648 -0.02
+  121.0649 C8H9O+ 2 121.0648 0.58
+  126.0913 C7H12NO+ 2 126.0913 -0.3
+  129.0697 C10H9+ 1 129.0699 -1.23
+  131.0855 C10H11+ 1 131.0855 -0.42
+  143.0854 C11H11+ 1 143.0855 -1.07
+  145.0648 C10H9O+ 2 145.0648 -0.24
+  148.0755 C9H10NO+ 2 148.0757 -1.09
+  149.0835 C9H11NO+ 2 149.0835 -0.43
+  155.0256 C8H8ClO+ 1 155.0258 -1.15
+  157.1009 C12H13+ 1 157.1012 -1.63
+  159.0803 C11H11O+ 2 159.0804 -1.09
+  160.0756 C10H10NO+ 2 160.0757 -0.73
+  161.0834 C10H11NO+ 2 161.0835 -0.59
+  161.1169 C8H17O3+ 1 161.1172 -2.19
+  166.0776 C13H10+ 1 166.0777 -0.62
+  169.0414 C9H10ClO+ 1 169.0415 -0.57
+  171.0207 C8H8ClO2+ 1 171.0207 0.01
+  171.0804 C12H11O+ 2 171.0804 -0.25
+  171.1015 C9H15O3+ 2 171.1016 -0.5
+  171.1168 C13H15+ 1 171.1168 0.06
+  181.1011 C14H13+ 1 181.1012 -0.39
+  184.0523 C9H11ClNO+ 2 184.0524 -0.45
+  185.0959 C13H13O+ 2 185.0961 -1.05
+  194.1175 C11H16NO2+ 2 194.1176 -0.14
+  195.0207 C10H8ClO2+ 1 195.0207 -0.26
+  196.0524 C10H11ClNO+ 2 196.0524 -0.02
+  199.1117 C14H15O+ 2 199.1117 -0.29
+  209.0961 C15H13O+ 2 209.0961 -0.14
+  210.0679 C11H13ClNO+ 2 210.068 -0.65
+  218.1387 C10H20NO4+ 2 218.1387 -0.01
+  224.0836 C12H15ClNO+ 2 224.0837 -0.15
+  227.1068 C15H15O2+ 2 227.1067 0.67
+  252.0785 C13H15ClNO2+ 2 252.0786 -0.5
+  262.0628 C14H13ClNO2+ 2 262.0629 -0.55
+  270.089 C13H17ClNO3+ 2 270.0891 -0.66
+  384.157 C19H27ClNO5+ 2 384.1572 -0.52
+PK$NUM_PEAK: 47
+PK$PEAK: m/z int. rel.int.
+  57.0337 328141.6 46
+  69.0336 874383.5 123
+  79.0542 180685.7 25
+  81.0335 405020.4 57
+  81.0699 1610971.8 228
+  86.0601 1021270.4 144
+  91.0542 7052944 999
+  104.0706 153915.5 21
+  105.0335 640252.5 90
+  107.0491 80935.4 11
+  109.0648 3388617.2 479
+  121.0649 71221 10
+  126.0913 553235.9 78
+  129.0697 121446.2 17
+  131.0855 250214.8 35
+  143.0854 94331.6 13
+  145.0648 135024.6 19
+  148.0755 134223.1 19
+  149.0835 82946.8 11
+  155.0256 1397398.9 197
+  157.1009 74452.4 10
+  159.0803 398263.7 56
+  160.0756 459856 65
+  161.0834 371513.5 52
+  161.1169 89892.4 12
+  166.0776 79262.8 11
+  169.0414 213146.3 30
+  171.0207 105042.9 14
+  171.0804 92513.8 13
+  171.1015 96620.2 13
+  171.1168 79144.4 11
+  181.1011 417643 59
+  184.0523 1382659.6 195
+  185.0959 156967.5 22
+  194.1175 173980.3 24
+  195.0207 136252.5 19
+  196.0524 2198653.8 311
+  199.1117 692079.9 98
+  209.0961 299286.4 42
+  210.0679 100111.2 14
+  218.1387 223720.4 31
+  224.0836 274989.6 38
+  227.1068 352621 49
+  252.0785 603635.8 85
+  262.0628 114741.6 16
+  270.089 150659.7 21
+  384.157 119358.5 16
+//
diff --git a/Eawag/MSBNK-MLU-ED110406.txt b/Eawag/MSBNK-MLU-ED110406.txt
new file mode 100644
index 0000000000..68087805f4
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED110406.txt
@@ -0,0 +1,121 @@
+ACCESSION: MSBNK-MLU-ED110406
+RECORD_TITLE: Cryptophycin A; LC-ESI-QFT; MS2; CE: 50%; R=17500; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Enke [dtc], H. Enke [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1104
+CH$NAME: Cryptophycin A
+CH$NAME: (3S,6R,10S,13E,16S)-10-[(3-chloro-4-methoxyphenyl)methyl]-6-methyl-3-(2-methylpropyl)-16-[(1S)-1-[(2R,3R)-3-phenyloxiran-2-yl]ethyl]-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C35H43ClN2O8
+CH$EXACT_MASS: 654.270794
+CH$SMILES: C[C@@H]1CNC(=O)[C@@H](NC(=O)/C=C/C[C@H](OC(=O)[C@@H](OC1=O)CC(C)C)[C@H](C)[C@@H]2[C@H](O2)C3=CC=CC=C3)CC4=CC(=C(C=C4)OC)Cl
+CH$IUPAC: InChI=1S/C35H43ClN2O8/c1-20(2)16-29-35(42)44-27(22(4)31-32(46-31)24-10-7-6-8-11-24)12-9-13-30(39)38-26(33(40)37-19-21(3)34(41)45-29)18-23-14-15-28(43-5)25(36)17-23/h6-11,13-15,17,20-22,26-27,29,31-32H,12,16,18-19H2,1-5H3,(H,37,40)(H,38,39)/b13-9+/t21-,22+,26+,27+,29+,31-,32-/m1/s1
+CH$LINK: PUBCHEM CID:6504906
+CH$LINK: INCHIKEY PSNOPSMXOBPNNV-XUMGCJJFSA-N
+CH$LINK: CHEMSPIDER 10474934
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-685
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.863 min
+MS$FOCUSED_ION: BASE_PEAK 655.2783
+MS$FOCUSED_ION: PRECURSOR_M/Z 655.2781
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 19374058.44
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0006-9700000000-79f737529935816d4d2d
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  57.0337 C3H5O+ 2 57.0335 4.01
+  69.0336 C4H5O+ 1 69.0335 1.48
+  79.0542 C6H7+ 1 79.0542 -0.31
+  81.0335 C5H5O+ 1 81.0335 0.64
+  81.0699 C6H9+ 1 81.0699 -0.03
+  86.06 C4H8NO+ 1 86.06 -0.02
+  91.0542 C7H7+ 1 91.0542 -0.26
+  95.049 C6H7O+ 1 95.0491 -1.11
+  104.0706 C4H10NO2+ 2 104.0706 -0.07
+  105.0335 C7H5O+ 2 105.0335 -0.16
+  107.0491 C7H7O+ 2 107.0491 0.05
+  109.0648 C7H9O+ 2 109.0648 -0.23
+  117.0697 C9H9+ 1 117.0699 -1.33
+  121.0648 C8H9O+ 2 121.0648 -0.24
+  126.0913 C7H12NO+ 2 126.0913 -0.54
+  129.0698 C10H9+ 1 129.0699 -0.28
+  131.0854 C10H11+ 1 131.0855 -0.65
+  133.0521 C8H7NO+ 2 133.0522 -0.59
+  141.0697 C11H9+ 1 141.0699 -1.2
+  143.0853 C11H11+ 1 143.0855 -1.92
+  145.0647 C10H9O+ 2 145.0648 -0.76
+  148.0755 C9H10NO+ 2 148.0757 -1.29
+  149.0834 C9H11NO+ 2 149.0835 -0.94
+  155.0256 C8H8ClO+ 1 155.0258 -1.25
+  159.0803 C11H11O+ 2 159.0804 -1.19
+  160.0755 C10H10NO+ 2 160.0757 -1.02
+  161.0833 C10H11NO+ 2 161.0835 -1.26
+  166.0776 C13H10+ 1 166.0777 -0.89
+  167.026 C9H8ClO+ 1 167.0258 0.8
+  169.0413 C9H10ClO+ 1 169.0415 -0.75
+  171.0205 C8H8ClO2+ 1 171.0207 -1.23
+  171.0803 C12H11O+ 2 171.0804 -0.79
+  181.1011 C14H13+ 1 181.1012 -0.48
+  184.0523 C9H11ClNO+ 2 184.0524 -0.62
+  185.096 C13H13O+ 2 185.0961 -0.47
+  196.0523 C10H11ClNO+ 2 196.0524 -0.33
+  199.1118 C14H15O+ 2 199.1117 0.4
+  209.0958 C15H13O+ 2 209.0961 -1.16
+  224.0836 C12H15ClNO+ 2 224.0837 -0.42
+PK$NUM_PEAK: 39
+PK$PEAK: m/z int. rel.int.
+  57.0337 449315 44
+  69.0336 799064.8 78
+  79.0542 410137.6 40
+  81.0335 419439.1 41
+  81.0699 2632450.8 258
+  86.06 744944.2 73
+  91.0542 10180280 999
+  95.049 115565.4 11
+  104.0706 108820.1 10
+  105.0335 767724 75
+  107.0491 118865.3 11
+  109.0648 2753110 270
+  117.0697 121618.7 11
+  121.0648 107806.9 10
+  126.0913 360879.4 35
+  129.0698 209282.1 20
+  131.0854 421018.7 41
+  133.0521 109480.9 10
+  141.0697 136991.2 13
+  143.0853 138169.4 13
+  145.0647 145923 14
+  148.0755 269753.4 26
+  149.0834 291235 28
+  155.0256 1419187 139
+  159.0803 300284.8 29
+  160.0755 1123631.8 110
+  161.0833 722400.9 70
+  166.0776 213179.5 20
+  167.026 106397.6 10
+  169.0413 438437.1 43
+  171.0205 139031.2 13
+  171.0803 103406.4 10
+  181.1011 339973.4 33
+  184.0523 956515.1 93
+  185.096 106571 10
+  196.0523 1363803 133
+  199.1118 191844 18
+  209.0958 153180 15
+  224.0836 167327.4 16
+//
diff --git a/Eawag/MSBNK-MLU-ED110407.txt b/Eawag/MSBNK-MLU-ED110407.txt
new file mode 100644
index 0000000000..4c5e049492
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED110407.txt
@@ -0,0 +1,119 @@
+ACCESSION: MSBNK-MLU-ED110407
+RECORD_TITLE: Cryptophycin A; LC-ESI-QFT; MS2; CE: 60%; R=17500; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Enke [dtc], H. Enke [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1104
+CH$NAME: Cryptophycin A
+CH$NAME: (3S,6R,10S,13E,16S)-10-[(3-chloro-4-methoxyphenyl)methyl]-6-methyl-3-(2-methylpropyl)-16-[(1S)-1-[(2R,3R)-3-phenyloxiran-2-yl]ethyl]-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C35H43ClN2O8
+CH$EXACT_MASS: 654.270794
+CH$SMILES: C[C@@H]1CNC(=O)[C@@H](NC(=O)/C=C/C[C@H](OC(=O)[C@@H](OC1=O)CC(C)C)[C@H](C)[C@@H]2[C@H](O2)C3=CC=CC=C3)CC4=CC(=C(C=C4)OC)Cl
+CH$IUPAC: InChI=1S/C35H43ClN2O8/c1-20(2)16-29-35(42)44-27(22(4)31-32(46-31)24-10-7-6-8-11-24)12-9-13-30(39)38-26(33(40)37-19-21(3)34(41)45-29)18-23-14-15-28(43-5)25(36)17-23/h6-11,13-15,17,20-22,26-27,29,31-32H,12,16,18-19H2,1-5H3,(H,37,40)(H,38,39)/b13-9+/t21-,22+,26+,27+,29+,31-,32-/m1/s1
+CH$LINK: PUBCHEM CID:6504906
+CH$LINK: INCHIKEY PSNOPSMXOBPNNV-XUMGCJJFSA-N
+CH$LINK: CHEMSPIDER 10474934
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-685
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.863 min
+MS$FOCUSED_ION: BASE_PEAK 655.2783
+MS$FOCUSED_ION: PRECURSOR_M/Z 655.2781
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 19374058.44
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0006-9500000000-afcde1fa795458b01791
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  53.0388 C4H5+ 1 53.0386 4.99
+  55.0545 C4H7+ 1 55.0542 4.6
+  57.0337 C3H5O+ 2 57.0335 4.41
+  65.0387 C5H5+ 1 65.0386 2.47
+  69.0336 C4H5O+ 1 69.0335 1.7
+  79.0543 C6H7+ 1 79.0542 0.37
+  81.0336 C5H5O+ 1 81.0335 0.73
+  81.0699 C6H9+ 1 81.0699 0.35
+  86.0601 C4H8NO+ 1 86.06 0.42
+  91.0542 C7H7+ 1 91.0542 0.08
+  95.049 C6H7O+ 1 95.0491 -1.03
+  103.0543 C8H7+ 1 103.0542 0.34
+  105.0335 C7H5O+ 2 105.0335 -0.02
+  109.0648 C7H9O+ 2 109.0648 0.05
+  117.0574 C8H7N+ 1 117.0573 0.65
+  117.0698 C9H9+ 1 117.0699 -0.87
+  126.0913 C7H12NO+ 2 126.0913 -0.6
+  129.0698 C10H9+ 1 129.0699 -0.64
+  131.0855 C10H11+ 1 131.0855 -0.42
+  133.0522 C8H7NO+ 2 133.0522 -0.36
+  134.06 C8H8NO+ 2 134.06 -0.45
+  134.0725 C9H10O+ 2 134.0726 -0.69
+  141.0698 C11H9+ 1 141.0699 -0.34
+  146.0598 C9H8NO+ 2 146.06 -1.35
+  148.0756 C9H10NO+ 2 148.0757 -0.67
+  149.0834 C9H11NO+ 2 149.0835 -0.53
+  155.0257 C8H8ClO+ 1 155.0258 -1.05
+  159.0802 C11H11O+ 2 159.0804 -1.28
+  160.0756 C10H10NO+ 2 160.0757 -0.64
+  161.0833 C10H11NO+ 2 161.0835 -1.16
+  165.0697 C13H9+ 1 165.0699 -0.94
+  166.0776 C13H10+ 1 166.0777 -0.62
+  167.0259 C9H8ClO+ 1 167.0258 0.71
+  168.0333 C9H9ClO+ 1 168.0336 -1.98
+  169.0414 C9H10ClO+ 1 169.0415 -0.57
+  181.1011 C14H13+ 1 181.1012 -0.56
+  184.0523 C9H11ClNO+ 2 184.0524 -0.53
+  196.0523 C10H11ClNO+ 2 196.0524 -0.18
+PK$NUM_PEAK: 38
+PK$PEAK: m/z int. rel.int.
+  53.0388 169141.8 17
+  55.0545 121659.2 12
+  57.0337 336545.4 35
+  65.0387 255126.6 26
+  69.0336 571677.8 59
+  79.0543 578559.1 60
+  81.0336 271748.1 28
+  81.0699 2367604.5 246
+  86.0601 451036.3 46
+  91.0542 9602722 999
+  95.049 158023.5 16
+  103.0543 109609.3 11
+  105.0335 584988.9 60
+  109.0648 1532395.2 159
+  117.0574 131307.7 13
+  117.0698 146074.7 15
+  126.0913 105718.5 10
+  129.0698 236816.6 24
+  131.0855 411036.5 42
+  133.0522 155064 16
+  134.06 96954.3 10
+  134.0725 116892.2 12
+  141.0698 130736.4 13
+  146.0598 111110 11
+  148.0756 219510.8 22
+  149.0834 403643.7 41
+  155.0257 1112211.2 115
+  159.0802 138787.1 14
+  160.0756 1190437.5 123
+  161.0833 580874.4 60
+  165.0697 130183.6 13
+  166.0776 244000.9 25
+  167.0259 137546.2 14
+  168.0333 120031.3 12
+  169.0414 373330.1 38
+  181.1011 154302.2 16
+  184.0523 388122.7 40
+  196.0523 385920.9 40
+//
diff --git a/Eawag/MSBNK-MLU-ED110408.txt b/Eawag/MSBNK-MLU-ED110408.txt
new file mode 100644
index 0000000000..5c3ecf1725
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED110408.txt
@@ -0,0 +1,119 @@
+ACCESSION: MSBNK-MLU-ED110408
+RECORD_TITLE: Cryptophycin A; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Enke [dtc], H. Enke [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1104
+CH$NAME: Cryptophycin A
+CH$NAME: (3S,6R,10S,13E,16S)-10-[(3-chloro-4-methoxyphenyl)methyl]-6-methyl-3-(2-methylpropyl)-16-[(1S)-1-[(2R,3R)-3-phenyloxiran-2-yl]ethyl]-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C35H43ClN2O8
+CH$EXACT_MASS: 654.270794
+CH$SMILES: C[C@@H]1CNC(=O)[C@@H](NC(=O)/C=C/C[C@H](OC(=O)[C@@H](OC1=O)CC(C)C)[C@H](C)[C@@H]2[C@H](O2)C3=CC=CC=C3)CC4=CC(=C(C=C4)OC)Cl
+CH$IUPAC: InChI=1S/C35H43ClN2O8/c1-20(2)16-29-35(42)44-27(22(4)31-32(46-31)24-10-7-6-8-11-24)12-9-13-30(39)38-26(33(40)37-19-21(3)34(41)45-29)18-23-14-15-28(43-5)25(36)17-23/h6-11,13-15,17,20-22,26-27,29,31-32H,12,16,18-19H2,1-5H3,(H,37,40)(H,38,39)/b13-9+/t21-,22+,26+,27+,29+,31-,32-/m1/s1
+CH$LINK: PUBCHEM CID:6504906
+CH$LINK: INCHIKEY PSNOPSMXOBPNNV-XUMGCJJFSA-N
+CH$LINK: CHEMSPIDER 10474934
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-685
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.863 min
+MS$FOCUSED_ION: BASE_PEAK 655.2783
+MS$FOCUSED_ION: PRECURSOR_M/Z 655.2781
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 19374058.44
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0006-9400000000-32647594c90213f52f7b
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  53.0388 C4H5+ 1 53.0386 4.63
+  55.0545 C4H7+ 1 55.0542 4.8
+  57.0337 C3H5O+ 2 57.0335 4.21
+  65.0387 C5H5+ 1 65.0386 2.12
+  69.0336 C4H5O+ 1 69.0335 1.48
+  79.0542 C6H7+ 1 79.0542 -0.02
+  81.0336 C5H5O+ 1 81.0335 0.73
+  81.0699 C6H9+ 1 81.0699 -0.03
+  86.0601 C4H8NO+ 1 86.06 0.51
+  91.0542 C7H7+ 1 91.0542 -0.26
+  95.0491 C6H7O+ 1 95.0491 -0.39
+  103.0542 C8H7+ 1 103.0542 -0.4
+  105.0335 C7H5O+ 2 105.0335 0.13
+  107.0492 C7H7O+ 2 107.0491 0.69
+  108.0569 C7H8O+ 1 108.057 -1.05
+  109.0648 C7H9O+ 2 109.0648 -0.09
+  115.0542 C9H7+ 1 115.0542 0.08
+  117.0574 C8H7N+ 1 117.0573 0.45
+  117.0697 C9H9+ 1 117.0699 -1.14
+  128.0619 C10H8+ 1 128.0621 -0.96
+  129.0698 C10H9+ 1 129.0699 -0.76
+  131.0855 C10H11+ 1 131.0855 -0.3
+  133.0521 C8H7NO+ 2 133.0522 -0.82
+  134.06 C8H8NO+ 2 134.06 -0.33
+  134.0724 C9H10O+ 2 134.0726 -1.26
+  141.0696 C11H9+ 1 141.0699 -1.75
+  146.0599 C9H8NO+ 2 146.06 -0.82
+  148.0755 C9H10NO+ 2 148.0757 -1.5
+  149.0834 C9H11NO+ 2 149.0835 -0.63
+  155.0256 C8H8ClO+ 1 155.0258 -1.15
+  160.0755 C10H10NO+ 2 160.0757 -0.92
+  161.0834 C10H11NO+ 2 161.0835 -0.78
+  165.0698 C13H9+ 1 165.0699 -0.48
+  166.0775 C13H10+ 1 166.0777 -1.35
+  167.0256 C9H8ClO+ 1 167.0258 -1.03
+  168.0334 C9H9ClO+ 1 168.0336 -1.7
+  169.0413 C9H10ClO+ 1 169.0415 -0.75
+  184.0521 C9H11ClNO+ 2 184.0524 -1.28
+PK$NUM_PEAK: 38
+PK$PEAK: m/z int. rel.int.
+  53.0388 248435.2 25
+  55.0545 113191.9 11
+  57.0337 258096.3 26
+  65.0387 392646.7 39
+  69.0336 355644.2 36
+  79.0542 776744 79
+  81.0336 201634 20
+  81.0699 2196351.2 223
+  86.0601 275311.3 28
+  91.0542 9814492 999
+  95.0491 188226 19
+  103.0542 191329 19
+  105.0335 517639 52
+  107.0492 111050 11
+  108.0569 101139.5 10
+  109.0648 1019008.2 103
+  115.0542 118853.7 12
+  117.0574 158983.1 16
+  117.0697 145354.1 14
+  128.0619 119425.8 12
+  129.0698 222507.6 22
+  131.0855 316352 32
+  133.0521 162940 16
+  134.06 181332.9 18
+  134.0724 155190.2 15
+  141.0696 181103.3 18
+  146.0599 177483.1 18
+  148.0755 145798 14
+  149.0834 413272.1 42
+  155.0256 922232.5 93
+  160.0755 997701.9 101
+  161.0834 352062.2 35
+  165.0698 192391.8 19
+  166.0775 265441 27
+  167.0256 116289 11
+  168.0334 152322.2 15
+  169.0413 224622.9 22
+  184.0521 110686.1 11
+//
diff --git a/Eawag/MSBNK-MLU-ED110409.txt b/Eawag/MSBNK-MLU-ED110409.txt
new file mode 100644
index 0000000000..a154a03fb7
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED110409.txt
@@ -0,0 +1,115 @@
+ACCESSION: MSBNK-MLU-ED110409
+RECORD_TITLE: Cryptophycin A; LC-ESI-QFT; MS2; CE: 80%; R=17500; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Enke [dtc], H. Enke [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1104
+CH$NAME: Cryptophycin A
+CH$NAME: (3S,6R,10S,13E,16S)-10-[(3-chloro-4-methoxyphenyl)methyl]-6-methyl-3-(2-methylpropyl)-16-[(1S)-1-[(2R,3R)-3-phenyloxiran-2-yl]ethyl]-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C35H43ClN2O8
+CH$EXACT_MASS: 654.270794
+CH$SMILES: C[C@@H]1CNC(=O)[C@@H](NC(=O)/C=C/C[C@H](OC(=O)[C@@H](OC1=O)CC(C)C)[C@H](C)[C@@H]2[C@H](O2)C3=CC=CC=C3)CC4=CC(=C(C=C4)OC)Cl
+CH$IUPAC: InChI=1S/C35H43ClN2O8/c1-20(2)16-29-35(42)44-27(22(4)31-32(46-31)24-10-7-6-8-11-24)12-9-13-30(39)38-26(33(40)37-19-21(3)34(41)45-29)18-23-14-15-28(43-5)25(36)17-23/h6-11,13-15,17,20-22,26-27,29,31-32H,12,16,18-19H2,1-5H3,(H,37,40)(H,38,39)/b13-9+/t21-,22+,26+,27+,29+,31-,32-/m1/s1
+CH$LINK: PUBCHEM CID:6504906
+CH$LINK: INCHIKEY PSNOPSMXOBPNNV-XUMGCJJFSA-N
+CH$LINK: CHEMSPIDER 10474934
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-685
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.863 min
+MS$FOCUSED_ION: BASE_PEAK 655.2783
+MS$FOCUSED_ION: PRECURSOR_M/Z 655.2781
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 19374058.44
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0006-9300000000-08e187b43ab949dd5a7f
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  53.0388 C4H5+ 1 53.0386 4.92
+  55.0181 C3H3O+ 2 55.0178 4.34
+  55.0545 C4H7+ 1 55.0542 4.18
+  57.0337 C3H5O+ 2 57.0335 4.34
+  65.0387 C5H5+ 1 65.0386 2.47
+  69.0336 C4H5O+ 1 69.0335 1.37
+  79.0542 C6H7+ 1 79.0542 0.17
+  81.0336 C5H5O+ 1 81.0335 0.82
+  81.0699 C6H9+ 1 81.0699 0.25
+  86.0601 C4H8NO+ 1 86.06 0.15
+  91.0542 C7H7+ 1 91.0542 -0.09
+  95.0491 C6H7O+ 1 95.0491 -0.15
+  103.0542 C8H7+ 1 103.0542 0.05
+  105.0335 C7H5O+ 2 105.0335 0.34
+  107.0491 C7H7O+ 2 107.0491 -0.16
+  108.0569 C7H8O+ 1 108.057 -0.62
+  109.0648 C7H9O+ 2 109.0648 -0.09
+  115.0542 C9H7+ 1 115.0542 -0.45
+  117.0573 C8H7N+ 1 117.0573 -0.2
+  117.0699 C9H9+ 1 117.0699 -0.22
+  128.062 C10H8+ 1 128.0621 -0.72
+  129.0698 C10H9+ 1 129.0699 -0.52
+  131.0855 C10H11+ 1 131.0855 -0.42
+  133.0521 C8H7NO+ 2 133.0522 -0.59
+  134.06 C8H8NO+ 2 134.06 -0.45
+  134.0724 C9H10O+ 1 134.0726 -1.72
+  141.0698 C11H9+ 1 141.0699 -0.66
+  146.0599 C9H8NO+ 2 146.06 -1.14
+  149.0834 C9H11NO+ 2 149.0835 -0.63
+  155.0257 C8H8ClO+ 1 155.0258 -1.05
+  160.0756 C10H10NO+ 2 160.0757 -0.73
+  161.0833 C10H11NO+ 2 161.0835 -1.44
+  165.0697 C13H9+ 1 165.0699 -0.94
+  166.0775 C13H10+ 1 166.0777 -0.98
+  168.0333 C9H9ClO+ 1 168.0336 -1.98
+  169.0414 C9H10ClO+ 1 169.0415 -0.66
+PK$NUM_PEAK: 36
+PK$PEAK: m/z int. rel.int.
+  53.0388 480826.2 39
+  55.0181 121111 10
+  55.0545 131633.3 10
+  57.0337 288727.9 23
+  65.0387 720038.1 59
+  69.0336 309587.2 25
+  79.0542 1194647 98
+  81.0336 214601 17
+  81.0699 2192034.8 181
+  86.0601 241008 19
+  91.0542 12096683 999
+  95.0491 313089.5 25
+  103.0542 262020.3 21
+  105.0335 560404.6 46
+  107.0491 121219.7 10
+  108.0569 202790.4 16
+  109.0648 692193.9 57
+  115.0542 208927.5 17
+  117.0573 276318.9 22
+  117.0699 166332 13
+  128.062 216837.5 17
+  129.0698 290298.5 23
+  131.0855 288045 23
+  133.0521 173157 14
+  134.06 443650.9 36
+  134.0724 204078.4 16
+  141.0698 210886.4 17
+  146.0599 300189.4 24
+  149.0834 437337.3 36
+  155.0257 882663.2 72
+  160.0756 970695.9 80
+  161.0833 181056.3 14
+  165.0697 303550.6 25
+  166.0775 242963.8 20
+  168.0333 165494.5 13
+  169.0414 124110.6 10
+//
diff --git a/Eawag/MSBNK-MLU-ED110451.txt b/Eawag/MSBNK-MLU-ED110451.txt
new file mode 100644
index 0000000000..5f6a75c22f
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED110451.txt
@@ -0,0 +1,59 @@
+ACCESSION: MSBNK-MLU-ED110451
+RECORD_TITLE: Cryptophycin A; LC-ESI-QFT; MS2; CE: 15%; R=17500; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Enke [dtc], H. Enke [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1104
+CH$NAME: Cryptophycin A
+CH$NAME: (3S,6R,10S,13E,16S)-10-[(3-chloro-4-methoxyphenyl)methyl]-6-methyl-3-(2-methylpropyl)-16-[(1S)-1-[(2R,3R)-3-phenyloxiran-2-yl]ethyl]-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C35H43ClN2O8
+CH$EXACT_MASS: 654.270794
+CH$SMILES: C[C@@H]1CNC(=O)[C@@H](NC(=O)/C=C/C[C@H](OC(=O)[C@@H](OC1=O)CC(C)C)[C@H](C)[C@@H]2[C@H](O2)C3=CC=CC=C3)CC4=CC(=C(C=C4)OC)Cl
+CH$IUPAC: InChI=1S/C35H43ClN2O8/c1-20(2)16-29-35(42)44-27(22(4)31-32(46-31)24-10-7-6-8-11-24)12-9-13-30(39)38-26(33(40)37-19-21(3)34(41)45-29)18-23-14-15-28(43-5)25(36)17-23/h6-11,13-15,17,20-22,26-27,29,31-32H,12,16,18-19H2,1-5H3,(H,37,40)(H,38,39)/b13-9+/t21-,22+,26+,27+,29+,31-,32-/m1/s1
+CH$LINK: PUBCHEM CID:6504906
+CH$LINK: INCHIKEY PSNOPSMXOBPNNV-XUMGCJJFSA-N
+CH$LINK: CHEMSPIDER 10474934
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-685
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.841 min
+MS$FOCUSED_ION: BASE_PEAK 699.2691
+MS$FOCUSED_ION: PRECURSOR_M/Z 653.2635
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 760263.01
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0zfs-0960108000-8b245703ce8e23d61c64
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  155.1074 C9H15O2- 1 155.1078 -2.2
+  199.0977 C10H15O4- 2 199.0976 0.41
+  210.0326 C10H9ClNO2- 2 210.0327 -0.43
+  253.0381 C14H7NO4- 2 253.0381 0.35
+  295.0854 C14H16ClN2O3- 2 295.0855 -0.22
+  453.1594 C25H26ClN2O4- 3 453.1587 1.53
+  567.2258 C34H33NO7- 2 567.2263 -0.8
+  653.2639 C35H42ClN2O8- 1 653.2635 0.52
+PK$NUM_PEAK: 8
+PK$PEAK: m/z int. rel.int.
+  155.1074 192483.2 678
+  199.0977 103332.1 364
+  210.0326 54222.1 191
+  253.0381 14098.2 49
+  295.0854 158865.6 560
+  453.1594 60421.5 213
+  567.2258 25925.4 91
+  653.2639 283280.6 999
+//
diff --git a/Eawag/MSBNK-MLU-ED110452.txt b/Eawag/MSBNK-MLU-ED110452.txt
new file mode 100644
index 0000000000..ef10917171
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED110452.txt
@@ -0,0 +1,75 @@
+ACCESSION: MSBNK-MLU-ED110452
+RECORD_TITLE: Cryptophycin A; LC-ESI-QFT; MS2; CE: 20%; R=17500; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Enke [dtc], H. Enke [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1104
+CH$NAME: Cryptophycin A
+CH$NAME: (3S,6R,10S,13E,16S)-10-[(3-chloro-4-methoxyphenyl)methyl]-6-methyl-3-(2-methylpropyl)-16-[(1S)-1-[(2R,3R)-3-phenyloxiran-2-yl]ethyl]-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C35H43ClN2O8
+CH$EXACT_MASS: 654.270794
+CH$SMILES: C[C@@H]1CNC(=O)[C@@H](NC(=O)/C=C/C[C@H](OC(=O)[C@@H](OC1=O)CC(C)C)[C@H](C)[C@@H]2[C@H](O2)C3=CC=CC=C3)CC4=CC(=C(C=C4)OC)Cl
+CH$IUPAC: InChI=1S/C35H43ClN2O8/c1-20(2)16-29-35(42)44-27(22(4)31-32(46-31)24-10-7-6-8-11-24)12-9-13-30(39)38-26(33(40)37-19-21(3)34(41)45-29)18-23-14-15-28(43-5)25(36)17-23/h6-11,13-15,17,20-22,26-27,29,31-32H,12,16,18-19H2,1-5H3,(H,37,40)(H,38,39)/b13-9+/t21-,22+,26+,27+,29+,31-,32-/m1/s1
+CH$LINK: PUBCHEM CID:6504906
+CH$LINK: INCHIKEY PSNOPSMXOBPNNV-XUMGCJJFSA-N
+CH$LINK: CHEMSPIDER 10474934
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-685
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.841 min
+MS$FOCUSED_ION: BASE_PEAK 699.2691
+MS$FOCUSED_ION: PRECURSOR_M/Z 653.2635
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 760263.01
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-06r2-0980110000-fdc30df7627ea8c36f01
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  153.0917 C9H13O2- 1 153.0921 -2.36
+  155.1073 C9H15O2- 1 155.1078 -2.89
+  156.0659 C7H10NO3- 1 156.0666 -4.68
+  181.0872 C10H13O3- 2 181.087 0.95
+  198.1129 C10H16NO3- 1 198.1136 -3.21
+  199.0975 C10H15O4- 2 199.0976 -0.35
+  210.0326 C10H9ClNO2- 2 210.0327 -0.58
+  242.1181 C15H16NO2- 2 242.1187 -2.1
+  253.0376 C14H7NO4- 2 253.0381 -1.64
+  278.0588 C14H13ClNO3- 2 278.0589 -0.53
+  295.0853 C14H16ClN2O3- 2 295.0855 -0.74
+  356.1857 C21H26NO4- 4 356.1867 -2.94
+  436.1303 C22H25ClO7- 3 436.1294 2.11
+  453.16 C25H26ClN2O4- 3 453.1587 2.88
+  539.1966 C29H32ClN2O6- 3 539.1954 2.09
+  567.2247 C34H33NO7- 2 567.2263 -2.74
+PK$NUM_PEAK: 16
+PK$PEAK: m/z int. rel.int.
+  153.0917 28545.8 111
+  155.1073 255229.1 999
+  156.0659 8656 33
+  181.0872 6201.3 24
+  198.1129 6496.3 25
+  199.0975 94492.1 369
+  210.0326 161853.5 633
+  242.1181 9573.2 37
+  253.0376 10597.2 41
+  278.0588 20764.9 81
+  295.0853 179497.5 702
+  356.1857 13202.7 51
+  436.1303 10302.2 40
+  453.16 47304.1 185
+  539.1966 43612.2 170
+  567.2247 11077.3 43
+//
diff --git a/Eawag/MSBNK-MLU-ED110453.txt b/Eawag/MSBNK-MLU-ED110453.txt
new file mode 100644
index 0000000000..e585d21ccd
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED110453.txt
@@ -0,0 +1,57 @@
+ACCESSION: MSBNK-MLU-ED110453
+RECORD_TITLE: Cryptophycin A; LC-ESI-QFT; MS2; CE: 25%; R=17500; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Enke [dtc], H. Enke [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1104
+CH$NAME: Cryptophycin A
+CH$NAME: (3S,6R,10S,13E,16S)-10-[(3-chloro-4-methoxyphenyl)methyl]-6-methyl-3-(2-methylpropyl)-16-[(1S)-1-[(2R,3R)-3-phenyloxiran-2-yl]ethyl]-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C35H43ClN2O8
+CH$EXACT_MASS: 654.270794
+CH$SMILES: C[C@@H]1CNC(=O)[C@@H](NC(=O)/C=C/C[C@H](OC(=O)[C@@H](OC1=O)CC(C)C)[C@H](C)[C@@H]2[C@H](O2)C3=CC=CC=C3)CC4=CC(=C(C=C4)OC)Cl
+CH$IUPAC: InChI=1S/C35H43ClN2O8/c1-20(2)16-29-35(42)44-27(22(4)31-32(46-31)24-10-7-6-8-11-24)12-9-13-30(39)38-26(33(40)37-19-21(3)34(41)45-29)18-23-14-15-28(43-5)25(36)17-23/h6-11,13-15,17,20-22,26-27,29,31-32H,12,16,18-19H2,1-5H3,(H,37,40)(H,38,39)/b13-9+/t21-,22+,26+,27+,29+,31-,32-/m1/s1
+CH$LINK: PUBCHEM CID:6504906
+CH$LINK: INCHIKEY PSNOPSMXOBPNNV-XUMGCJJFSA-N
+CH$LINK: CHEMSPIDER 10474934
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-685
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.841 min
+MS$FOCUSED_ION: BASE_PEAK 699.2691
+MS$FOCUSED_ION: PRECURSOR_M/Z 653.2635
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 760263.01
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-08fr-0970000000-a8c67632446a32c55001
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  153.0914 C9H13O2- 1 153.0921 -4.56
+  155.1073 C9H15O2- 1 155.1078 -2.89
+  199.0974 C10H15O4- 2 199.0976 -1.04
+  210.0326 C10H9ClNO2- 2 210.0327 -0.73
+  234.0699 C13H13ClNO- 1 234.0691 3.38
+  253.0383 C14H7NO4- 2 253.0381 0.89
+  313.0963 C14H18ClN2O4- 2 313.0961 0.85
+PK$NUM_PEAK: 7
+PK$PEAK: m/z int. rel.int.
+  153.0914 35124.8 116
+  155.1073 294997.3 981
+  199.0974 56981.5 189
+  210.0326 300263.7 999
+  234.0699 6663.1 22
+  253.0383 16402.8 54
+  313.0963 22139.6 73
+//
diff --git a/Eawag/MSBNK-MLU-ED110454.txt b/Eawag/MSBNK-MLU-ED110454.txt
new file mode 100644
index 0000000000..52ddf51b44
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED110454.txt
@@ -0,0 +1,65 @@
+ACCESSION: MSBNK-MLU-ED110454
+RECORD_TITLE: Cryptophycin A; LC-ESI-QFT; MS2; CE: 30%; R=17500; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Enke [dtc], H. Enke [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1104
+CH$NAME: Cryptophycin A
+CH$NAME: (3S,6R,10S,13E,16S)-10-[(3-chloro-4-methoxyphenyl)methyl]-6-methyl-3-(2-methylpropyl)-16-[(1S)-1-[(2R,3R)-3-phenyloxiran-2-yl]ethyl]-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C35H43ClN2O8
+CH$EXACT_MASS: 654.270794
+CH$SMILES: C[C@@H]1CNC(=O)[C@@H](NC(=O)/C=C/C[C@H](OC(=O)[C@@H](OC1=O)CC(C)C)[C@H](C)[C@@H]2[C@H](O2)C3=CC=CC=C3)CC4=CC(=C(C=C4)OC)Cl
+CH$IUPAC: InChI=1S/C35H43ClN2O8/c1-20(2)16-29-35(42)44-27(22(4)31-32(46-31)24-10-7-6-8-11-24)12-9-13-30(39)38-26(33(40)37-19-21(3)34(41)45-29)18-23-14-15-28(43-5)25(36)17-23/h6-11,13-15,17,20-22,26-27,29,31-32H,12,16,18-19H2,1-5H3,(H,37,40)(H,38,39)/b13-9+/t21-,22+,26+,27+,29+,31-,32-/m1/s1
+CH$LINK: PUBCHEM CID:6504906
+CH$LINK: INCHIKEY PSNOPSMXOBPNNV-XUMGCJJFSA-N
+CH$LINK: CHEMSPIDER 10474934
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-685
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.841 min
+MS$FOCUSED_ION: BASE_PEAK 699.2691
+MS$FOCUSED_ION: PRECURSOR_M/Z 653.2635
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 760263.01
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-08fr-0890000000-40dc57fd1d165d66b9ad
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  153.0917 C9H13O2- 1 153.0921 -2.56
+  155.1073 C9H15O2- 1 155.1078 -2.89
+  156.0661 C7H10NO3- 1 156.0666 -3.22
+  181.0868 C10H13O3- 2 181.087 -1.32
+  199.097 C10H15O4- 1 199.0976 -2.73
+  210.0327 C10H9ClNO2- 2 210.0327 -0.22
+  242.1185 C15H16NO2- 2 242.1187 -0.72
+  253.039 C11H10ClN2O3- 2 253.0385 1.98
+  278.0592 C14H13ClNO3- 2 278.0589 0.78
+  295.0854 C14H16ClN2O3- 2 295.0855 -0.32
+  356.1861 C21H26NO4- 3 356.1867 -1.83
+PK$NUM_PEAK: 11
+PK$PEAK: m/z int. rel.int.
+  153.0917 44285.8 135
+  155.1073 308049.8 945
+  156.0661 5464.3 16
+  181.0868 7825.1 24
+  199.097 19158 58
+  210.0327 325555.8 999
+  242.1185 12609.6 38
+  253.039 23956.6 73
+  278.0592 11216.7 34
+  295.0854 44543.1 136
+  356.1861 8382.5 25
+//
diff --git a/Eawag/MSBNK-MLU-ED110455.txt b/Eawag/MSBNK-MLU-ED110455.txt
new file mode 100644
index 0000000000..50b84ef49f
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED110455.txt
@@ -0,0 +1,49 @@
+ACCESSION: MSBNK-MLU-ED110455
+RECORD_TITLE: Cryptophycin A; LC-ESI-QFT; MS2; CE: 40%; R=17500; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Enke [dtc], H. Enke [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1104
+CH$NAME: Cryptophycin A
+CH$NAME: (3S,6R,10S,13E,16S)-10-[(3-chloro-4-methoxyphenyl)methyl]-6-methyl-3-(2-methylpropyl)-16-[(1S)-1-[(2R,3R)-3-phenyloxiran-2-yl]ethyl]-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C35H43ClN2O8
+CH$EXACT_MASS: 654.270794
+CH$SMILES: C[C@@H]1CNC(=O)[C@@H](NC(=O)/C=C/C[C@H](OC(=O)[C@@H](OC1=O)CC(C)C)[C@H](C)[C@@H]2[C@H](O2)C3=CC=CC=C3)CC4=CC(=C(C=C4)OC)Cl
+CH$IUPAC: InChI=1S/C35H43ClN2O8/c1-20(2)16-29-35(42)44-27(22(4)31-32(46-31)24-10-7-6-8-11-24)12-9-13-30(39)38-26(33(40)37-19-21(3)34(41)45-29)18-23-14-15-28(43-5)25(36)17-23/h6-11,13-15,17,20-22,26-27,29,31-32H,12,16,18-19H2,1-5H3,(H,37,40)(H,38,39)/b13-9+/t21-,22+,26+,27+,29+,31-,32-/m1/s1
+CH$LINK: PUBCHEM CID:6504906
+CH$LINK: INCHIKEY PSNOPSMXOBPNNV-XUMGCJJFSA-N
+CH$LINK: CHEMSPIDER 10474934
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-685
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.841 min
+MS$FOCUSED_ION: BASE_PEAK 699.2691
+MS$FOCUSED_ION: PRECURSOR_M/Z 653.2635
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 760263.01
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0bt9-0960000000-a8efeaa86631da55d177
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  153.0916 C9H13O2- 1 153.0921 -3.46
+  155.1073 C9H15O2- 1 155.1078 -2.79
+  210.0326 C10H9ClNO2- 2 210.0327 -0.65
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  153.0916 33372.2 214
+  155.1073 155495.2 999
+  210.0326 137005.7 880
+//
diff --git a/Eawag/MSBNK-MLU-ED110456.txt b/Eawag/MSBNK-MLU-ED110456.txt
new file mode 100644
index 0000000000..c6c42de155
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED110456.txt
@@ -0,0 +1,49 @@
+ACCESSION: MSBNK-MLU-ED110456
+RECORD_TITLE: Cryptophycin A; LC-ESI-QFT; MS2; CE: 50%; R=17500; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Enke [dtc], H. Enke [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1104
+CH$NAME: Cryptophycin A
+CH$NAME: (3S,6R,10S,13E,16S)-10-[(3-chloro-4-methoxyphenyl)methyl]-6-methyl-3-(2-methylpropyl)-16-[(1S)-1-[(2R,3R)-3-phenyloxiran-2-yl]ethyl]-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C35H43ClN2O8
+CH$EXACT_MASS: 654.270794
+CH$SMILES: C[C@@H]1CNC(=O)[C@@H](NC(=O)/C=C/C[C@H](OC(=O)[C@@H](OC1=O)CC(C)C)[C@H](C)[C@@H]2[C@H](O2)C3=CC=CC=C3)CC4=CC(=C(C=C4)OC)Cl
+CH$IUPAC: InChI=1S/C35H43ClN2O8/c1-20(2)16-29-35(42)44-27(22(4)31-32(46-31)24-10-7-6-8-11-24)12-9-13-30(39)38-26(33(40)37-19-21(3)34(41)45-29)18-23-14-15-28(43-5)25(36)17-23/h6-11,13-15,17,20-22,26-27,29,31-32H,12,16,18-19H2,1-5H3,(H,37,40)(H,38,39)/b13-9+/t21-,22+,26+,27+,29+,31-,32-/m1/s1
+CH$LINK: PUBCHEM CID:6504906
+CH$LINK: INCHIKEY PSNOPSMXOBPNNV-XUMGCJJFSA-N
+CH$LINK: CHEMSPIDER 10474934
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-685
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.841 min
+MS$FOCUSED_ION: BASE_PEAK 699.2691
+MS$FOCUSED_ION: PRECURSOR_M/Z 653.2635
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 760263.01
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0a4i-0940000000-f8f4ccd3b75183901989
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  155.1074 C9H15O2- 1 155.1078 -2.2
+  210.0327 C10H9ClNO2- 2 210.0327 -0.22
+  253.0387 C11H10ClN2O3- 2 253.0385 0.78
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  155.1074 54514.5 999
+  210.0327 22235.1 407
+  253.0387 5642.6 103
+//
diff --git a/Eawag/MSBNK-MLU-ED121301.txt b/Eawag/MSBNK-MLU-ED121301.txt
new file mode 100644
index 0000000000..8a76963d26
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED121301.txt
@@ -0,0 +1,53 @@
+ACCESSION: MSBNK-MLU-ED121301
+RECORD_TITLE: Gallinamide A; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], W. H. Gerwick [dtc], R. Reher [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1213
+CH$NAME: Gallinamide A
+CH$NAME: (1S)?1?{[(1S)?1?{[(2S,3E)?5?[(2S)?3?methoxy?2?methyl?5?oxo?2,5?dihydro?1H?pyrrol?1?yl]?5?oxopent?3?en?2?yl]carbamoyl}?3?methylbutyl]carbamoyl}?3?methylbutyl (2S,3S)?2?(dimethylamino)?3?methylpentanoate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H52N4O7
+CH$EXACT_MASS: 592.3836
+CH$SMILES: CC[C@H](C)[C@@H](C(=O)O[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)/C=C/C(=O)N1[C@H](C(=CC1=O)OC)C)N(C)C
+CH$IUPAC: InChI=1S/C31H52N4O7/c1-12-20(6)28(34(9)10)31(40)42-25(16-19(4)5)30(39)33-23(15-18(2)3)29(38)32-21(7)13-14-26(36)35-22(8)24(41-11)17-27(35)37/h13-14,17-23,25,28H,12,15-16H2,1-11H3,(H,32,38)(H,33,39)/b14-13+/t20-,21-,22-,23-,25-,28-/m0/s1
+CH$LINK: PUBCHEM CID:25209862
+CH$LINK: INCHIKEY ASRBKZHDORPEHO-KYJIWOQOSA-N
+CH$LINK: CHEMSPIDER 24614023
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-625
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.803 min
+MS$FOCUSED_ION: BASE_PEAK 593.3909
+MS$FOCUSED_ION: PRECURSOR_M/Z 593.3909
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 129289631.52
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0006-0100090000-7f25b0f8876e295d2fcd
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  114.1276 C7H16N+ 1 114.1277 -1
+  225.1229 C11H17N2O3+ 1 225.1234 -1.9
+  369.2759 C20H37N2O4+ 2 369.2748 2.97
+  466.3285 C27H46O6+ 3 466.3289 -0.91
+  593.3908 C31H53N4O7+ 1 593.3909 -0.2
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  114.1276 7296309 155
+  225.1229 1526617.8 32
+  369.2759 2838576.8 60
+  466.3285 626200.5 13
+  593.3908 46749328 999
+//
diff --git a/Eawag/MSBNK-MLU-ED121302.txt b/Eawag/MSBNK-MLU-ED121302.txt
new file mode 100644
index 0000000000..64074f34c2
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED121302.txt
@@ -0,0 +1,61 @@
+ACCESSION: MSBNK-MLU-ED121302
+RECORD_TITLE: Gallinamide A; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], W. H. Gerwick [dtc], R. Reher [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1213
+CH$NAME: Gallinamide A
+CH$NAME: (1S)?1?{[(1S)?1?{[(2S,3E)?5?[(2S)?3?methoxy?2?methyl?5?oxo?2,5?dihydro?1H?pyrrol?1?yl]?5?oxopent?3?en?2?yl]carbamoyl}?3?methylbutyl]carbamoyl}?3?methylbutyl (2S,3S)?2?(dimethylamino)?3?methylpentanoate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H52N4O7
+CH$EXACT_MASS: 592.3836
+CH$SMILES: CC[C@H](C)[C@@H](C(=O)O[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)/C=C/C(=O)N1[C@H](C(=CC1=O)OC)C)N(C)C
+CH$IUPAC: InChI=1S/C31H52N4O7/c1-12-20(6)28(34(9)10)31(40)42-25(16-19(4)5)30(39)33-23(15-18(2)3)29(38)32-21(7)13-14-26(36)35-22(8)24(41-11)17-27(35)37/h13-14,17-23,25,28H,12,15-16H2,1-11H3,(H,32,38)(H,33,39)/b14-13+/t20-,21-,22-,23-,25-,28-/m0/s1
+CH$LINK: PUBCHEM CID:25209862
+CH$LINK: INCHIKEY ASRBKZHDORPEHO-KYJIWOQOSA-N
+CH$LINK: CHEMSPIDER 24614023
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-625
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.803 min
+MS$FOCUSED_ION: BASE_PEAK 593.3909
+MS$FOCUSED_ION: PRECURSOR_M/Z 593.3909
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 129289631.52
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03dl-0912050000-5519965b5b17094b6295
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  114.1277 C7H16N+ 1 114.1277 -0.4
+  128.0705 C6H10NO2+ 1 128.0706 -0.54
+  160.1328 C8H18NO2+ 1 160.1332 -2.44
+  207.1126 C11H15N2O2+ 1 207.1128 -0.99
+  208.0965 C11H14NO3+ 2 208.0968 -1.62
+  225.1229 C11H17N2O3+ 1 225.1234 -1.9
+  341.2805 C19H37N2O3+ 1 341.2799 1.89
+  369.2759 C20H37N2O4+ 2 369.2748 3.05
+  593.3907 C31H53N4O7+ 1 593.3909 -0.31
+PK$NUM_PEAK: 9
+PK$PEAK: m/z int. rel.int.
+  114.1277 23872198 999
+  128.0705 1258113.1 52
+  160.1328 914603.8 38
+  207.1126 937326.8 39
+  208.0965 1344857 56
+  225.1229 2121299.8 88
+  341.2805 1460098 61
+  369.2759 5048703 211
+  593.3907 16186759 677
+//
diff --git a/Eawag/MSBNK-MLU-ED121303.txt b/Eawag/MSBNK-MLU-ED121303.txt
new file mode 100644
index 0000000000..a42dff0b7c
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED121303.txt
@@ -0,0 +1,63 @@
+ACCESSION: MSBNK-MLU-ED121303
+RECORD_TITLE: Gallinamide A; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], W. H. Gerwick [dtc], R. Reher [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1213
+CH$NAME: Gallinamide A
+CH$NAME: (1S)?1?{[(1S)?1?{[(2S,3E)?5?[(2S)?3?methoxy?2?methyl?5?oxo?2,5?dihydro?1H?pyrrol?1?yl]?5?oxopent?3?en?2?yl]carbamoyl}?3?methylbutyl]carbamoyl}?3?methylbutyl (2S,3S)?2?(dimethylamino)?3?methylpentanoate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H52N4O7
+CH$EXACT_MASS: 592.3836
+CH$SMILES: CC[C@H](C)[C@@H](C(=O)O[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)/C=C/C(=O)N1[C@H](C(=CC1=O)OC)C)N(C)C
+CH$IUPAC: InChI=1S/C31H52N4O7/c1-12-20(6)28(34(9)10)31(40)42-25(16-19(4)5)30(39)33-23(15-18(2)3)29(38)32-21(7)13-14-26(36)35-22(8)24(41-11)17-27(35)37/h13-14,17-23,25,28H,12,15-16H2,1-11H3,(H,32,38)(H,33,39)/b14-13+/t20-,21-,22-,23-,25-,28-/m0/s1
+CH$LINK: PUBCHEM CID:25209862
+CH$LINK: INCHIKEY ASRBKZHDORPEHO-KYJIWOQOSA-N
+CH$LINK: CHEMSPIDER 24614023
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-625
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.803 min
+MS$FOCUSED_ION: BASE_PEAK 593.3909
+MS$FOCUSED_ION: PRECURSOR_M/Z 593.3909
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 129289631.52
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03di-0901000000-605e31e71ef648636503
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  114.1277 C7H16N+ 1 114.1277 0
+  128.0706 C6H10NO2+ 1 128.0706 -0.31
+  160.1332 C8H18NO2+ 1 160.1332 -0.34
+  207.1126 C11H15N2O2+ 1 207.1128 -0.77
+  208.0967 C11H14NO3+ 1 208.0968 -0.81
+  225.123 C11H17N2O3+ 1 225.1234 -1.43
+  341.2806 C19H37N2O3+ 1 341.2799 2.24
+  369.2759 C20H37N2O4+ 2 369.2748 3.05
+  466.3292 C27H46O6+ 3 466.3289 0.66
+  593.391 C31H53N4O7+ 1 593.3909 0.21
+PK$NUM_PEAK: 10
+PK$PEAK: m/z int. rel.int.
+  114.1277 59272112 999
+  128.0706 3042268.8 51
+  160.1332 2357608.5 39
+  207.1126 1606590.4 27
+  208.0967 3585531.2 60
+  225.123 1759031 29
+  341.2806 3958262 66
+  369.2759 4964366 83
+  466.3292 613296.3 10
+  593.391 4620244.5 77
+//
diff --git a/Eawag/MSBNK-MLU-ED121304.txt b/Eawag/MSBNK-MLU-ED121304.txt
new file mode 100644
index 0000000000..d2d18363b9
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED121304.txt
@@ -0,0 +1,57 @@
+ACCESSION: MSBNK-MLU-ED121304
+RECORD_TITLE: Gallinamide A; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], W. H. Gerwick [dtc], R. Reher [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1213
+CH$NAME: Gallinamide A
+CH$NAME: (1S)?1?{[(1S)?1?{[(2S,3E)?5?[(2S)?3?methoxy?2?methyl?5?oxo?2,5?dihydro?1H?pyrrol?1?yl]?5?oxopent?3?en?2?yl]carbamoyl}?3?methylbutyl]carbamoyl}?3?methylbutyl (2S,3S)?2?(dimethylamino)?3?methylpentanoate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H52N4O7
+CH$EXACT_MASS: 592.3836
+CH$SMILES: CC[C@H](C)[C@@H](C(=O)O[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)/C=C/C(=O)N1[C@H](C(=CC1=O)OC)C)N(C)C
+CH$IUPAC: InChI=1S/C31H52N4O7/c1-12-20(6)28(34(9)10)31(40)42-25(16-19(4)5)30(39)33-23(15-18(2)3)29(38)32-21(7)13-14-26(36)35-22(8)24(41-11)17-27(35)37/h13-14,17-23,25,28H,12,15-16H2,1-11H3,(H,32,38)(H,33,39)/b14-13+/t20-,21-,22-,23-,25-,28-/m0/s1
+CH$LINK: PUBCHEM CID:25209862
+CH$LINK: INCHIKEY ASRBKZHDORPEHO-KYJIWOQOSA-N
+CH$LINK: CHEMSPIDER 24614023
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-625
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.803 min
+MS$FOCUSED_ION: BASE_PEAK 593.3909
+MS$FOCUSED_ION: PRECURSOR_M/Z 593.3909
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 129289631.52
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03di-0900000000-e5c7f898bf0df358fdfd
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  114.1277 C7H16N+ 1 114.1277 -0.06
+  128.0706 C6H10NO2+ 1 128.0706 -0.43
+  160.1332 C8H18NO2+ 1 160.1332 -0.25
+  207.1127 C11H15N2O2+ 1 207.1128 -0.69
+  208.0965 C11H14NO3+ 1 208.0968 -1.32
+  341.2806 C19H37N2O3+ 1 341.2799 2.15
+  369.2761 C20H37N2O4+ 2 369.2748 3.63
+PK$NUM_PEAK: 7
+PK$PEAK: m/z int. rel.int.
+  114.1277 48892404 999
+  128.0706 2274474.8 46
+  160.1332 1928329.9 39
+  207.1127 926863.1 18
+  208.0965 2891054.8 59
+  341.2806 1883859.2 38
+  369.2761 859702.2 17
+//
diff --git a/Eawag/MSBNK-MLU-ED121305.txt b/Eawag/MSBNK-MLU-ED121305.txt
new file mode 100644
index 0000000000..39401ec6bb
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED121305.txt
@@ -0,0 +1,63 @@
+ACCESSION: MSBNK-MLU-ED121305
+RECORD_TITLE: Gallinamide A; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], W. H. Gerwick [dtc], R. Reher [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1213
+CH$NAME: Gallinamide A
+CH$NAME: (1S)?1?{[(1S)?1?{[(2S,3E)?5?[(2S)?3?methoxy?2?methyl?5?oxo?2,5?dihydro?1H?pyrrol?1?yl]?5?oxopent?3?en?2?yl]carbamoyl}?3?methylbutyl]carbamoyl}?3?methylbutyl (2S,3S)?2?(dimethylamino)?3?methylpentanoate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H52N4O7
+CH$EXACT_MASS: 592.3836
+CH$SMILES: CC[C@H](C)[C@@H](C(=O)O[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)/C=C/C(=O)N1[C@H](C(=CC1=O)OC)C)N(C)C
+CH$IUPAC: InChI=1S/C31H52N4O7/c1-12-20(6)28(34(9)10)31(40)42-25(16-19(4)5)30(39)33-23(15-18(2)3)29(38)32-21(7)13-14-26(36)35-22(8)24(41-11)17-27(35)37/h13-14,17-23,25,28H,12,15-16H2,1-11H3,(H,32,38)(H,33,39)/b14-13+/t20-,21-,22-,23-,25-,28-/m0/s1
+CH$LINK: PUBCHEM CID:25209862
+CH$LINK: INCHIKEY ASRBKZHDORPEHO-KYJIWOQOSA-N
+CH$LINK: CHEMSPIDER 24614023
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-625
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.803 min
+MS$FOCUSED_ION: BASE_PEAK 593.3909
+MS$FOCUSED_ION: PRECURSOR_M/Z 593.3909
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 129289631.52
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03di-0900000000-3dc89ea856b1ba25a8da
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  58.0653 C3H8N+ 1 58.0651 2.63
+  69.07 C5H9+ 1 69.0699 1.29
+  85.0886 C5H11N+ 1 85.0886 0.34
+  86.0964 C5H12N+ 1 86.0964 -0.32
+  98.0602 C5H8NO+ 1 98.06 1.9
+  114.1277 C7H16N+ 1 114.1277 -0.13
+  128.0706 C6H10NO2+ 1 128.0706 -0.43
+  160.1331 C8H18NO2+ 1 160.1332 -0.44
+  207.1128 C11H15N2O2+ 1 207.1128 -0.18
+  208.0966 C11H14NO3+ 1 208.0968 -1.03
+PK$NUM_PEAK: 10
+PK$PEAK: m/z int. rel.int.
+  58.0653 1377773.2 23
+  69.07 900523.4 15
+  85.0886 1222307.1 20
+  86.0964 894123.2 15
+  98.0602 610397.8 10
+  114.1277 59235228 999
+  128.0706 2721445 45
+  160.1331 1832150.2 30
+  207.1128 746292.3 12
+  208.0966 2612284 44
+//
diff --git a/Eawag/MSBNK-MLU-ED121306.txt b/Eawag/MSBNK-MLU-ED121306.txt
new file mode 100644
index 0000000000..8f78950b54
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED121306.txt
@@ -0,0 +1,67 @@
+ACCESSION: MSBNK-MLU-ED121306
+RECORD_TITLE: Gallinamide A; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], W. H. Gerwick [dtc], R. Reher [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1213
+CH$NAME: Gallinamide A
+CH$NAME: (1S)?1?{[(1S)?1?{[(2S,3E)?5?[(2S)?3?methoxy?2?methyl?5?oxo?2,5?dihydro?1H?pyrrol?1?yl]?5?oxopent?3?en?2?yl]carbamoyl}?3?methylbutyl]carbamoyl}?3?methylbutyl (2S,3S)?2?(dimethylamino)?3?methylpentanoate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H52N4O7
+CH$EXACT_MASS: 592.3836
+CH$SMILES: CC[C@H](C)[C@@H](C(=O)O[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)/C=C/C(=O)N1[C@H](C(=CC1=O)OC)C)N(C)C
+CH$IUPAC: InChI=1S/C31H52N4O7/c1-12-20(6)28(34(9)10)31(40)42-25(16-19(4)5)30(39)33-23(15-18(2)3)29(38)32-21(7)13-14-26(36)35-22(8)24(41-11)17-27(35)37/h13-14,17-23,25,28H,12,15-16H2,1-11H3,(H,32,38)(H,33,39)/b14-13+/t20-,21-,22-,23-,25-,28-/m0/s1
+CH$LINK: PUBCHEM CID:25209862
+CH$LINK: INCHIKEY ASRBKZHDORPEHO-KYJIWOQOSA-N
+CH$LINK: CHEMSPIDER 24614023
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-625
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.803 min
+MS$FOCUSED_ION: BASE_PEAK 593.3909
+MS$FOCUSED_ION: PRECURSOR_M/Z 593.3909
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 129289631.52
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03di-1900000000-e53214ab85bd4de57a17
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  58.0653 C3H8N+ 1 58.0651 2.76
+  69.07 C5H9+ 1 69.0699 1.29
+  70.0652 C4H8N+ 1 70.0651 0.98
+  81.0335 C5H5O+ 1 81.0335 0.28
+  84.0808 C5H10N+ 1 84.0808 0.74
+  85.0886 C5H11N+ 1 85.0886 0.07
+  86.0964 C5H12N+ 1 86.0964 0.13
+  98.0601 C5H8NO+ 1 98.06 0.5
+  114.1277 C7H16N+ 1 114.1277 -0.4
+  128.0705 C6H10NO2+ 1 128.0706 -0.54
+  160.1332 C8H18NO2+ 1 160.1332 -0.34
+  208.0967 C11H14NO3+ 1 208.0968 -0.59
+PK$NUM_PEAK: 12
+PK$PEAK: m/z int. rel.int.
+  58.0653 2451693.2 54
+  69.07 1768424.9 39
+  70.0652 642840.8 14
+  81.0335 694880.3 15
+  84.0808 748964.5 16
+  85.0886 2455628 54
+  86.0964 1050419.5 23
+  98.0601 593162.9 13
+  114.1277 45169504 999
+  128.0705 2253139.2 49
+  160.1332 758039.1 16
+  208.0967 727297.9 16
+//
diff --git a/Eawag/MSBNK-MLU-ED121307.txt b/Eawag/MSBNK-MLU-ED121307.txt
new file mode 100644
index 0000000000..ca1416485e
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED121307.txt
@@ -0,0 +1,71 @@
+ACCESSION: MSBNK-MLU-ED121307
+RECORD_TITLE: Gallinamide A; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], W. H. Gerwick [dtc], R. Reher [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1213
+CH$NAME: Gallinamide A
+CH$NAME: (1S)?1?{[(1S)?1?{[(2S,3E)?5?[(2S)?3?methoxy?2?methyl?5?oxo?2,5?dihydro?1H?pyrrol?1?yl]?5?oxopent?3?en?2?yl]carbamoyl}?3?methylbutyl]carbamoyl}?3?methylbutyl (2S,3S)?2?(dimethylamino)?3?methylpentanoate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H52N4O7
+CH$EXACT_MASS: 592.3836
+CH$SMILES: CC[C@H](C)[C@@H](C(=O)O[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)/C=C/C(=O)N1[C@H](C(=CC1=O)OC)C)N(C)C
+CH$IUPAC: InChI=1S/C31H52N4O7/c1-12-20(6)28(34(9)10)31(40)42-25(16-19(4)5)30(39)33-23(15-18(2)3)29(38)32-21(7)13-14-26(36)35-22(8)24(41-11)17-27(35)37/h13-14,17-23,25,28H,12,15-16H2,1-11H3,(H,32,38)(H,33,39)/b14-13+/t20-,21-,22-,23-,25-,28-/m0/s1
+CH$LINK: PUBCHEM CID:25209862
+CH$LINK: INCHIKEY ASRBKZHDORPEHO-KYJIWOQOSA-N
+CH$LINK: CHEMSPIDER 24614023
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-625
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.803 min
+MS$FOCUSED_ION: BASE_PEAK 593.3909
+MS$FOCUSED_ION: PRECURSOR_M/Z 593.3909
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 129289631.52
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03di-4900000000-864cf91842f54315a4c9
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  58.0653 C3H8N+ 1 58.0651 2.96
+  69.07 C5H9+ 1 69.0699 1.18
+  70.0652 C4H8N+ 1 70.0651 1.09
+  72.0808 C4H10N+ 1 72.0808 0.31
+  81.0335 C5H5O+ 1 81.0335 -0.09
+  84.0808 C5H10N+ 1 84.0808 0.2
+  85.0886 C5H11N+ 1 85.0886 0.16
+  86.0964 C5H12N+ 1 86.0964 -0.05
+  96.0443 C5H6NO+ 1 96.0444 -0.51
+  97.0648 C6H9O+ 1 97.0648 -0.18
+  98.06 C5H8NO+ 1 98.06 0.04
+  111.0441 C6H7O2+ 1 111.0441 0.09
+  114.1277 C7H16N+ 1 114.1277 -0.2
+  128.0706 C6H10NO2+ 1 128.0706 -0.07
+PK$NUM_PEAK: 14
+PK$PEAK: m/z int. rel.int.
+  58.0653 4600619.5 108
+  69.07 3499398 82
+  70.0652 1549344.1 36
+  72.0808 750179.6 17
+  81.0335 893262.9 21
+  84.0808 1489109.8 35
+  85.0886 5516650.5 129
+  86.0964 1491384.5 35
+  96.0443 535585.4 12
+  97.0648 452171.4 10
+  98.06 539753.2 12
+  111.0441 537851.4 12
+  114.1277 42395788 999
+  128.0706 2287937.5 53
+//
diff --git a/Eawag/MSBNK-MLU-ED121308.txt b/Eawag/MSBNK-MLU-ED121308.txt
new file mode 100644
index 0000000000..9047f86dff
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED121308.txt
@@ -0,0 +1,73 @@
+ACCESSION: MSBNK-MLU-ED121308
+RECORD_TITLE: Gallinamide A; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], W. H. Gerwick [dtc], R. Reher [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1213
+CH$NAME: Gallinamide A
+CH$NAME: (1S)?1?{[(1S)?1?{[(2S,3E)?5?[(2S)?3?methoxy?2?methyl?5?oxo?2,5?dihydro?1H?pyrrol?1?yl]?5?oxopent?3?en?2?yl]carbamoyl}?3?methylbutyl]carbamoyl}?3?methylbutyl (2S,3S)?2?(dimethylamino)?3?methylpentanoate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H52N4O7
+CH$EXACT_MASS: 592.3836
+CH$SMILES: CC[C@H](C)[C@@H](C(=O)O[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)/C=C/C(=O)N1[C@H](C(=CC1=O)OC)C)N(C)C
+CH$IUPAC: InChI=1S/C31H52N4O7/c1-12-20(6)28(34(9)10)31(40)42-25(16-19(4)5)30(39)33-23(15-18(2)3)29(38)32-21(7)13-14-26(36)35-22(8)24(41-11)17-27(35)37/h13-14,17-23,25,28H,12,15-16H2,1-11H3,(H,32,38)(H,33,39)/b14-13+/t20-,21-,22-,23-,25-,28-/m0/s1
+CH$LINK: PUBCHEM CID:25209862
+CH$LINK: INCHIKEY ASRBKZHDORPEHO-KYJIWOQOSA-N
+CH$LINK: CHEMSPIDER 24614023
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-625
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.803 min
+MS$FOCUSED_ION: BASE_PEAK 593.3909
+MS$FOCUSED_ION: PRECURSOR_M/Z 593.3909
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 129289631.52
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03di-8900000000-705e3806d6af608c1e6a
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  58.0653 C3H8N+ 1 58.0651 2.76
+  69.07 C5H9+ 1 69.0699 1.29
+  70.0652 C4H8N+ 1 70.0651 0.76
+  71.073 C4H9N+ 1 71.073 0.32
+  72.0808 C4H10N+ 1 72.0808 0
+  81.0335 C5H5O+ 1 81.0335 0.47
+  84.0808 C5H10N+ 1 84.0808 0.29
+  85.0886 C5H11N+ 1 85.0886 0.16
+  86.0964 C5H12N+ 1 86.0964 -0.14
+  96.0443 C5H6NO+ 1 96.0444 -0.43
+  97.0647 C6H9O+ 1 97.0648 -0.73
+  98.0601 C5H8NO+ 1 98.06 0.89
+  111.0441 C6H7O2+ 1 111.0441 0.64
+  114.1277 C7H16N+ 1 114.1277 -0.13
+  128.0706 C6H10NO2+ 1 128.0706 -0.43
+PK$NUM_PEAK: 15
+PK$PEAK: m/z int. rel.int.
+  58.0653 3937107.5 188
+  69.07 2965920.5 142
+  70.0652 1640644.6 78
+  71.073 268454.6 12
+  72.0808 746819.9 35
+  81.0335 574128.4 27
+  84.0808 1637144.1 78
+  85.0886 5624873 269
+  86.0964 1298433.2 62
+  96.0443 579312.4 27
+  97.0647 290862.6 13
+  98.0601 403345.9 19
+  111.0441 546962.4 26
+  114.1277 20815150 999
+  128.0706 1046586.6 50
+//
diff --git a/Eawag/MSBNK-MLU-ED121309.txt b/Eawag/MSBNK-MLU-ED121309.txt
new file mode 100644
index 0000000000..a28282743e
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED121309.txt
@@ -0,0 +1,75 @@
+ACCESSION: MSBNK-MLU-ED121309
+RECORD_TITLE: Gallinamide A; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], W. H. Gerwick [dtc], R. Reher [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1213
+CH$NAME: Gallinamide A
+CH$NAME: (1S)?1?{[(1S)?1?{[(2S,3E)?5?[(2S)?3?methoxy?2?methyl?5?oxo?2,5?dihydro?1H?pyrrol?1?yl]?5?oxopent?3?en?2?yl]carbamoyl}?3?methylbutyl]carbamoyl}?3?methylbutyl (2S,3S)?2?(dimethylamino)?3?methylpentanoate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C31H52N4O7
+CH$EXACT_MASS: 592.3836
+CH$SMILES: CC[C@H](C)[C@@H](C(=O)O[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)/C=C/C(=O)N1[C@H](C(=CC1=O)OC)C)N(C)C
+CH$IUPAC: InChI=1S/C31H52N4O7/c1-12-20(6)28(34(9)10)31(40)42-25(16-19(4)5)30(39)33-23(15-18(2)3)29(38)32-21(7)13-14-26(36)35-22(8)24(41-11)17-27(35)37/h13-14,17-23,25,28H,12,15-16H2,1-11H3,(H,32,38)(H,33,39)/b14-13+/t20-,21-,22-,23-,25-,28-/m0/s1
+CH$LINK: PUBCHEM CID:25209862
+CH$LINK: INCHIKEY ASRBKZHDORPEHO-KYJIWOQOSA-N
+CH$LINK: CHEMSPIDER 24614023
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-625
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.803 min
+MS$FOCUSED_ION: BASE_PEAK 593.3909
+MS$FOCUSED_ION: PRECURSOR_M/Z 593.3909
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 129289631.52
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03dr-9400000000-563b3705aa6da9f1324e
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  53.0388 C4H5+ 1 53.0386 3.4
+  58.0653 C3H8N+ 1 58.0651 2.76
+  69.07 C5H9+ 1 69.0699 1.29
+  70.0652 C4H8N+ 1 70.0651 0.98
+  71.073 C4H9N+ 1 71.073 0.75
+  72.0808 C4H10N+ 1 72.0808 0.84
+  81.0336 C5H5O+ 1 81.0335 0.85
+  84.0808 C5H10N+ 1 84.0808 0.47
+  85.0886 C5H11N+ 1 85.0886 0.07
+  86.0964 C5H12N+ 1 86.0964 -0.23
+  96.0444 C5H6NO+ 1 96.0444 -0.19
+  97.065 C6H9O+ 1 97.0648 1.94
+  99.1042 C6H13N+ 1 99.1043 -0.63
+  111.044 C6H7O2+ 1 111.0441 -0.46
+  114.1277 C7H16N+ 1 114.1277 -0.33
+  128.0705 C6H10NO2+ 1 128.0706 -0.78
+PK$NUM_PEAK: 16
+PK$PEAK: m/z int. rel.int.
+  53.0388 665749 31
+  58.0653 7930814.5 370
+  69.07 5314480.5 248
+  70.0652 4713296 220
+  71.073 503210.2 23
+  72.0808 1316599.4 61
+  81.0336 570459.6 26
+  84.0808 4276078.5 199
+  85.0886 12780092 596
+  86.0964 2018691.1 94
+  96.0444 1114725.5 52
+  97.065 282697.2 13
+  99.1042 619447.4 28
+  111.044 989674.5 46
+  114.1277 21396536 999
+  128.0705 995675.4 46
+//
diff --git a/Eawag/MSBNK-MLU-ED133951.txt b/Eawag/MSBNK-MLU-ED133951.txt
new file mode 100644
index 0000000000..de426e4977
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED133951.txt
@@ -0,0 +1,61 @@
+ACCESSION: MSBNK-MLU-ED133951
+RECORD_TITLE: Acutiphycin; LC-ESI-QFT; MS2; CE: 15%; R=17500; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1339
+CH$NAME: Acutiphycin
+CH$NAME: (1R,5R,7E,9R,12S,13E,17S)-1,9,17-trihydroxy-8,10,10,12,14-pentamethyl-5-pentyl-4,19-dioxabicyclo[13.3.1]nonadeca-7,13-diene-3,11-dione
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C27H44O7
+CH$EXACT_MASS: 480.3087037
+CH$SMILES: CCCCC[C@@H](OC(C[C@@](O1)(O)C[C@@H](O)CC1/C(C)=C/[C@@H]2C)=O)C/C=C(C)/[C@@H](O)C(C)(C)C2=O
+CH$IUPAC: InChI=1S/C27H44O7/c1-7-8-9-10-21-12-11-17(2)24(30)26(5,6)25(31)19(4)13-18(3)22-14-20(28)15-27(32,34-22)16-23(29)33-21/h11,13,19-22,24,28,30,32H,7-10,12,14-16H2,1-6H3/b17-11+,18-13+/t19-,20-,21+,22?,24+,27+/m0/s1
+CH$LINK: PUBCHEM CID:10435292
+CH$LINK: INCHIKEY GEJXYOJDTGLZJE-DDALQIJOSA-N
+CH$LINK: CHEMSPIDER 8610717
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-505
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.005 min
+MS$FOCUSED_ION: BASE_PEAK 479.3012
+MS$FOCUSED_ION: PRECURSOR_M/Z 479.3014
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 27973056.46
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-014i-0940100000-ce3c07171dbaa9526547
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  149.0969 C10H13O- 1 149.0972 -2.13
+  165.1283 C11H17O- 1 165.1285 -1.17
+  167.1077 C10H15O2- 1 167.1078 -0.55
+  193.124 C12H17O2- 1 193.1234 3.04
+  209.1185 C12H17O3- 1 209.1183 0.86
+  211.134 C12H19O3- 1 211.134 0
+  267.1605 C15H23O4- 1 267.1602 1.18
+  295.1552 C16H23O5- 1 295.1551 0.37
+  479.3013 C27H43O7- 1 479.3014 -0.28
+PK$NUM_PEAK: 9
+PK$PEAK: m/z int. rel.int.
+  149.0969 96061.7 22
+  165.1283 69999.5 16
+  167.1077 4306848 999
+  193.124 52317.9 12
+  209.1185 314652.4 72
+  211.134 98945.2 22
+  267.1605 708572.2 164
+  295.1552 962525.9 223
+  479.3013 628901.4 145
+//
diff --git a/Eawag/MSBNK-MLU-ED133952.txt b/Eawag/MSBNK-MLU-ED133952.txt
new file mode 100644
index 0000000000..e1be685d91
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED133952.txt
@@ -0,0 +1,65 @@
+ACCESSION: MSBNK-MLU-ED133952
+RECORD_TITLE: Acutiphycin; LC-ESI-QFT; MS2; CE: 20%; R=17500; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1339
+CH$NAME: Acutiphycin
+CH$NAME: (1R,5R,7E,9R,12S,13E,17S)-1,9,17-trihydroxy-8,10,10,12,14-pentamethyl-5-pentyl-4,19-dioxabicyclo[13.3.1]nonadeca-7,13-diene-3,11-dione
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C27H44O7
+CH$EXACT_MASS: 480.3087037
+CH$SMILES: CCCCC[C@@H](OC(C[C@@](O1)(O)C[C@@H](O)CC1/C(C)=C/[C@@H]2C)=O)C/C=C(C)/[C@@H](O)C(C)(C)C2=O
+CH$IUPAC: InChI=1S/C27H44O7/c1-7-8-9-10-21-12-11-17(2)24(30)26(5,6)25(31)19(4)13-18(3)22-14-20(28)15-27(32,34-22)16-23(29)33-21/h11,13,19-22,24,28,30,32H,7-10,12,14-16H2,1-6H3/b17-11+,18-13+/t19-,20-,21+,22?,24+,27+/m0/s1
+CH$LINK: PUBCHEM CID:10435292
+CH$LINK: INCHIKEY GEJXYOJDTGLZJE-DDALQIJOSA-N
+CH$LINK: CHEMSPIDER 8610717
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-505
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.005 min
+MS$FOCUSED_ION: BASE_PEAK 479.3012
+MS$FOCUSED_ION: PRECURSOR_M/Z 479.3014
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 27973056.46
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-014i-0910000000-f2eb612fdb7f1ed0f7ae
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  123.0809 C8H11O- 1 123.0815 -4.82
+  127.0395 C6H7O3- 1 127.0401 -4.32
+  134.0734 C9H10O- 1 134.0737 -2.68
+  149.097 C10H13O- 1 149.0972 -1.21
+  165.1283 C11H17O- 1 165.1285 -0.89
+  167.1076 C10H15O2- 1 167.1078 -0.64
+  193.1232 C12H17O2- 1 193.1234 -0.92
+  209.1185 C12H17O3- 1 209.1183 0.79
+  267.1604 C15H23O4- 1 267.1602 0.72
+  295.155 C16H23O5- 1 295.1551 -0.35
+  479.3024 C27H43O7- 1 479.3014 2.07
+PK$NUM_PEAK: 11
+PK$PEAK: m/z int. rel.int.
+  123.0809 109401.8 22
+  127.0395 205363.7 41
+  134.0734 142641.5 28
+  149.097 255939.1 51
+  165.1283 194798.9 39
+  167.1076 4932209.5 999
+  193.1232 101921.3 20
+  209.1185 511726.2 103
+  267.1604 300157.2 60
+  295.155 480875.8 97
+  479.3024 74208.6 15
+//
diff --git a/Eawag/MSBNK-MLU-ED133953.txt b/Eawag/MSBNK-MLU-ED133953.txt
new file mode 100644
index 0000000000..bfc0c63b14
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED133953.txt
@@ -0,0 +1,61 @@
+ACCESSION: MSBNK-MLU-ED133953
+RECORD_TITLE: Acutiphycin; LC-ESI-QFT; MS2; CE: 25%; R=17500; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1339
+CH$NAME: Acutiphycin
+CH$NAME: (1R,5R,7E,9R,12S,13E,17S)-1,9,17-trihydroxy-8,10,10,12,14-pentamethyl-5-pentyl-4,19-dioxabicyclo[13.3.1]nonadeca-7,13-diene-3,11-dione
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C27H44O7
+CH$EXACT_MASS: 480.3087037
+CH$SMILES: CCCCC[C@@H](OC(C[C@@](O1)(O)C[C@@H](O)CC1/C(C)=C/[C@@H]2C)=O)C/C=C(C)/[C@@H](O)C(C)(C)C2=O
+CH$IUPAC: InChI=1S/C27H44O7/c1-7-8-9-10-21-12-11-17(2)24(30)26(5,6)25(31)19(4)13-18(3)22-14-20(28)15-27(32,34-22)16-23(29)33-21/h11,13,19-22,24,28,30,32H,7-10,12,14-16H2,1-6H3/b17-11+,18-13+/t19-,20-,21+,22?,24+,27+/m0/s1
+CH$LINK: PUBCHEM CID:10435292
+CH$LINK: INCHIKEY GEJXYOJDTGLZJE-DDALQIJOSA-N
+CH$LINK: CHEMSPIDER 8610717
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-505
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.005 min
+MS$FOCUSED_ION: BASE_PEAK 479.3012
+MS$FOCUSED_ION: PRECURSOR_M/Z 479.3014
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 27973056.46
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-014i-0900000000-65b795513aaf250f5380
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  134.0733 C9H10O- 1 134.0737 -2.79
+  136.0523 C8H8O2- 1 136.053 -4.64
+  149.097 C10H13O- 1 149.0972 -1.1
+  165.1285 C11H17O- 1 165.1285 0.03
+  166.0635 C9H10O3- 1 166.0635 -0.32
+  167.1077 C10H15O2- 1 167.1078 -0.55
+  193.1237 C12H17O2- 1 193.1234 1.3
+  209.1185 C12H17O3- 1 209.1183 0.79
+  267.1597 C15H23O4- 1 267.1602 -1.91
+PK$NUM_PEAK: 9
+PK$PEAK: m/z int. rel.int.
+  134.0733 226372.5 48
+  136.0523 54260 11
+  149.097 356856.6 77
+  165.1285 362841.7 78
+  166.0635 76350.8 16
+  167.1077 4622467.5 999
+  193.1237 109720.2 23
+  209.1185 337466.2 72
+  267.1597 56776.9 12
+//
diff --git a/Eawag/MSBNK-MLU-ED133954.txt b/Eawag/MSBNK-MLU-ED133954.txt
new file mode 100644
index 0000000000..110c28a6f9
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED133954.txt
@@ -0,0 +1,67 @@
+ACCESSION: MSBNK-MLU-ED133954
+RECORD_TITLE: Acutiphycin; LC-ESI-QFT; MS2; CE: 30%; R=17500; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1339
+CH$NAME: Acutiphycin
+CH$NAME: (1R,5R,7E,9R,12S,13E,17S)-1,9,17-trihydroxy-8,10,10,12,14-pentamethyl-5-pentyl-4,19-dioxabicyclo[13.3.1]nonadeca-7,13-diene-3,11-dione
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C27H44O7
+CH$EXACT_MASS: 480.3087037
+CH$SMILES: CCCCC[C@@H](OC(C[C@@](O1)(O)C[C@@H](O)CC1/C(C)=C/[C@@H]2C)=O)C/C=C(C)/[C@@H](O)C(C)(C)C2=O
+CH$IUPAC: InChI=1S/C27H44O7/c1-7-8-9-10-21-12-11-17(2)24(30)26(5,6)25(31)19(4)13-18(3)22-14-20(28)15-27(32,34-22)16-23(29)33-21/h11,13,19-22,24,28,30,32H,7-10,12,14-16H2,1-6H3/b17-11+,18-13+/t19-,20-,21+,22?,24+,27+/m0/s1
+CH$LINK: PUBCHEM CID:10435292
+CH$LINK: INCHIKEY GEJXYOJDTGLZJE-DDALQIJOSA-N
+CH$LINK: CHEMSPIDER 8610717
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-505
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.005 min
+MS$FOCUSED_ION: BASE_PEAK 479.3012
+MS$FOCUSED_ION: PRECURSOR_M/Z 479.3014
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 27973056.46
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-014i-0900000000-c6bd47d7fd281f67ec03
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  123.0811 C8H11O- 1 123.0815 -3.76
+  127.0395 C6H7O3- 1 127.0401 -4.08
+  134.0733 C9H10O- 1 134.0737 -3.36
+  136.0525 C8H8O2- 1 136.053 -3.86
+  149.097 C10H13O- 1 149.0972 -1.41
+  165.1283 C11H17O- 1 165.1285 -0.89
+  166.0634 C9H10O3- 1 166.0635 -1.15
+  167.1076 C10H15O2- 1 167.1078 -0.83
+  191.1441 C13H19O- 1 191.1441 -0.13
+  193.1233 C12H17O2- 1 193.1234 -0.28
+  209.1183 C12H17O3- 1 209.1183 -0.16
+  295.1552 C16H23O5- 1 295.1551 0.27
+PK$NUM_PEAK: 12
+PK$PEAK: m/z int. rel.int.
+  123.0811 73013.2 15
+  127.0395 176778.3 37
+  134.0733 360707.3 77
+  136.0525 96290.7 20
+  149.097 494643 105
+  165.1283 514862.2 110
+  166.0634 102468.1 21
+  167.1076 4666362 999
+  191.1441 95997 20
+  193.1233 139682.4 29
+  209.1183 189349.9 40
+  295.1552 72907.4 15
+//
diff --git a/Eawag/MSBNK-MLU-ED133955.txt b/Eawag/MSBNK-MLU-ED133955.txt
new file mode 100644
index 0000000000..f3bb5084c8
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED133955.txt
@@ -0,0 +1,59 @@
+ACCESSION: MSBNK-MLU-ED133955
+RECORD_TITLE: Acutiphycin; LC-ESI-QFT; MS2; CE: 40%; R=17500; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1339
+CH$NAME: Acutiphycin
+CH$NAME: (1R,5R,7E,9R,12S,13E,17S)-1,9,17-trihydroxy-8,10,10,12,14-pentamethyl-5-pentyl-4,19-dioxabicyclo[13.3.1]nonadeca-7,13-diene-3,11-dione
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C27H44O7
+CH$EXACT_MASS: 480.3087037
+CH$SMILES: CCCCC[C@@H](OC(C[C@@](O1)(O)C[C@@H](O)CC1/C(C)=C/[C@@H]2C)=O)C/C=C(C)/[C@@H](O)C(C)(C)C2=O
+CH$IUPAC: InChI=1S/C27H44O7/c1-7-8-9-10-21-12-11-17(2)24(30)26(5,6)25(31)19(4)13-18(3)22-14-20(28)15-27(32,34-22)16-23(29)33-21/h11,13,19-22,24,28,30,32H,7-10,12,14-16H2,1-6H3/b17-11+,18-13+/t19-,20-,21+,22?,24+,27+/m0/s1
+CH$LINK: PUBCHEM CID:10435292
+CH$LINK: INCHIKEY GEJXYOJDTGLZJE-DDALQIJOSA-N
+CH$LINK: CHEMSPIDER 8610717
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-505
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.005 min
+MS$FOCUSED_ION: BASE_PEAK 479.3012
+MS$FOCUSED_ION: PRECURSOR_M/Z 479.3014
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 27973056.46
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-014i-0900000000-653288765c407834f393
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  134.0732 C9H10O- 1 134.0737 -4.16
+  149.0971 C10H13O- 1 149.0972 -0.9
+  165.1284 C11H17O- 1 165.1285 -0.8
+  166.0635 C9H10O3- 1 166.0635 -0.32
+  167.1076 C10H15O2- 1 167.1078 -0.92
+  191.1439 C13H19O- 1 191.1441 -1.25
+  193.1234 C12H17O2- 1 193.1234 -0.13
+  209.1178 C12H17O3- 1 209.1183 -2.71
+PK$NUM_PEAK: 8
+PK$PEAK: m/z int. rel.int.
+  134.0732 239179.4 144
+  149.0971 215804.7 130
+  165.1284 259861.1 157
+  166.0635 82275.9 49
+  167.1076 1649340.4 999
+  191.1439 29633.1 17
+  193.1234 24744 14
+  209.1178 20815.1 12
+//
diff --git a/Eawag/MSBNK-MLU-ED133956.txt b/Eawag/MSBNK-MLU-ED133956.txt
new file mode 100644
index 0000000000..8fd70507da
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED133956.txt
@@ -0,0 +1,55 @@
+ACCESSION: MSBNK-MLU-ED133956
+RECORD_TITLE: Acutiphycin; LC-ESI-QFT; MS2; CE: 50%; R=17500; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1339
+CH$NAME: Acutiphycin
+CH$NAME: (1R,5R,7E,9R,12S,13E,17S)-1,9,17-trihydroxy-8,10,10,12,14-pentamethyl-5-pentyl-4,19-dioxabicyclo[13.3.1]nonadeca-7,13-diene-3,11-dione
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C27H44O7
+CH$EXACT_MASS: 480.3087037
+CH$SMILES: CCCCC[C@@H](OC(C[C@@](O1)(O)C[C@@H](O)CC1/C(C)=C/[C@@H]2C)=O)C/C=C(C)/[C@@H](O)C(C)(C)C2=O
+CH$IUPAC: InChI=1S/C27H44O7/c1-7-8-9-10-21-12-11-17(2)24(30)26(5,6)25(31)19(4)13-18(3)22-14-20(28)15-27(32,34-22)16-23(29)33-21/h11,13,19-22,24,28,30,32H,7-10,12,14-16H2,1-6H3/b17-11+,18-13+/t19-,20-,21+,22?,24+,27+/m0/s1
+CH$LINK: PUBCHEM CID:10435292
+CH$LINK: INCHIKEY GEJXYOJDTGLZJE-DDALQIJOSA-N
+CH$LINK: CHEMSPIDER 8610717
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-505
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.005 min
+MS$FOCUSED_ION: BASE_PEAK 479.3012
+MS$FOCUSED_ION: PRECURSOR_M/Z 479.3014
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 27973056.46
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-014i-0900000000-67393020101fbb0852bc
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  134.0733 C9H10O- 1 134.0737 -3.13
+  136.0527 C8H8O2- 1 136.053 -2.07
+  149.0969 C10H13O- 1 149.0972 -1.72
+  165.1285 C11H17O- 1 165.1285 -0.15
+  166.0635 C9H10O3- 1 166.0635 -0.32
+  167.1077 C10H15O2- 1 167.1078 -0.46
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  134.0733 337363.9 221
+  136.0527 60229.8 39
+  149.0969 260259 171
+  165.1285 301616.3 198
+  166.0635 110258.9 72
+  167.1077 1518289.5 999
+//
diff --git a/Eawag/MSBNK-MLU-ED133957.txt b/Eawag/MSBNK-MLU-ED133957.txt
new file mode 100644
index 0000000000..b85bdedab8
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED133957.txt
@@ -0,0 +1,53 @@
+ACCESSION: MSBNK-MLU-ED133957
+RECORD_TITLE: Acutiphycin; LC-ESI-QFT; MS2; CE: 60%; R=17500; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1339
+CH$NAME: Acutiphycin
+CH$NAME: (1R,5R,7E,9R,12S,13E,17S)-1,9,17-trihydroxy-8,10,10,12,14-pentamethyl-5-pentyl-4,19-dioxabicyclo[13.3.1]nonadeca-7,13-diene-3,11-dione
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C27H44O7
+CH$EXACT_MASS: 480.3087037
+CH$SMILES: CCCCC[C@@H](OC(C[C@@](O1)(O)C[C@@H](O)CC1/C(C)=C/[C@@H]2C)=O)C/C=C(C)/[C@@H](O)C(C)(C)C2=O
+CH$IUPAC: InChI=1S/C27H44O7/c1-7-8-9-10-21-12-11-17(2)24(30)26(5,6)25(31)19(4)13-18(3)22-14-20(28)15-27(32,34-22)16-23(29)33-21/h11,13,19-22,24,28,30,32H,7-10,12,14-16H2,1-6H3/b17-11+,18-13+/t19-,20-,21+,22?,24+,27+/m0/s1
+CH$LINK: PUBCHEM CID:10435292
+CH$LINK: INCHIKEY GEJXYOJDTGLZJE-DDALQIJOSA-N
+CH$LINK: CHEMSPIDER 8610717
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-505
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.005 min
+MS$FOCUSED_ION: BASE_PEAK 479.3012
+MS$FOCUSED_ION: PRECURSOR_M/Z 479.3014
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 27973056.46
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-014i-0900000000-071cf3d992e4eeb29b35
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  134.0736 C9H10O- 1 134.0737 -0.86
+  149.0969 C10H13O- 1 149.0972 -1.82
+  165.1289 C11H17O- 1 165.1285 2.53
+  166.0641 C9H10O3- 1 166.0635 3.26
+  167.1079 C10H15O2- 1 167.1078 0.73
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  134.0736 106283.7 328
+  149.0969 90198.1 278
+  165.1289 59282.6 182
+  166.0641 43419.3 134
+  167.1079 323658.3 999
+//
diff --git a/Eawag/MSBNK-MLU-ED133958.txt b/Eawag/MSBNK-MLU-ED133958.txt
new file mode 100644
index 0000000000..d2e4826404
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED133958.txt
@@ -0,0 +1,49 @@
+ACCESSION: MSBNK-MLU-ED133958
+RECORD_TITLE: Acutiphycin; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1339
+CH$NAME: Acutiphycin
+CH$NAME: (1R,5R,7E,9R,12S,13E,17S)-1,9,17-trihydroxy-8,10,10,12,14-pentamethyl-5-pentyl-4,19-dioxabicyclo[13.3.1]nonadeca-7,13-diene-3,11-dione
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C27H44O7
+CH$EXACT_MASS: 480.3087037
+CH$SMILES: CCCCC[C@@H](OC(C[C@@](O1)(O)C[C@@H](O)CC1/C(C)=C/[C@@H]2C)=O)C/C=C(C)/[C@@H](O)C(C)(C)C2=O
+CH$IUPAC: InChI=1S/C27H44O7/c1-7-8-9-10-21-12-11-17(2)24(30)26(5,6)25(31)19(4)13-18(3)22-14-20(28)15-27(32,34-22)16-23(29)33-21/h11,13,19-22,24,28,30,32H,7-10,12,14-16H2,1-6H3/b17-11+,18-13+/t19-,20-,21+,22?,24+,27+/m0/s1
+CH$LINK: PUBCHEM CID:10435292
+CH$LINK: INCHIKEY GEJXYOJDTGLZJE-DDALQIJOSA-N
+CH$LINK: CHEMSPIDER 8610717
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-505
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 6.005 min
+MS$FOCUSED_ION: BASE_PEAK 479.3012
+MS$FOCUSED_ION: PRECURSOR_M/Z 479.3014
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 27973056.46
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0159-0900000000-5e4dad846b36d1657838
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  134.0735 C9H10O- 1 134.0737 -1.31
+  149.0967 C10H13O- 1 149.0972 -3.56
+  167.1076 C10H15O2- 1 167.1078 -1.19
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  134.0735 51350.8 542
+  149.0967 44870.7 474
+  167.1076 94510.6 999
+//
diff --git a/Eawag/MSBNK-MLU-ED146601.txt b/Eawag/MSBNK-MLU-ED146601.txt
new file mode 100644
index 0000000000..5f718d24ec
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED146601.txt
@@ -0,0 +1,48 @@
+ACCESSION: MSBNK-MLU-ED146601
+RECORD_TITLE: Aerucyclamide A; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+
+DATE: 2024.04.30
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Enke [dtc], H. Enke [dtc], A.  Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1466
+CH$NAME: Aerucyclamide A
+CH$NAME: (1S,4S,7R,8S,18R)-4,18-bis[(2S)-butan-2-yl]-7-methyl-6-oxa-13,20-dithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.15,8.112,15]tetracosa-5(24),12(23),14,19(22)-tetraene-2,9,16-trione
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C24H34N6O4S2
+CH$EXACT_MASS: 534.2082956
+CH$SMILES: CC[C@H](C)[C@H]1C2=N[C@@H]([C@H](O2)C)C(=O)NCC3=NC(=CS3)C(=O)N[C@@H](C4=N[C@H](CS4)C(=O)N1)[C@@H](C)CC
+CH$IUPAC: InChI=1S/C24H34N6O4S2/c1-6-11(3)17-23-30-19(13(5)34-23)22(33)25-8-16-26-14(9-35-16)20(31)29-18(12(4)7-2)24-27-15(10-36-24)21(32)28-17/h9,11-13,15,17-19H,6-8,10H2,1-5H3,(H,25,33)(H,28,32)(H,29,31)/t11-,12-,13+,15+,17-,18+,19-/m0/s1
+CH$LINK: CHEBI 184019
+CH$LINK: PUBCHEM CID:24970830
+CH$LINK: INCHIKEY VJFRQMMMXJJUSM-VZGZUROSSA-N
+CH$LINK: CHEMSPIDER 23342203
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-565
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.013 min
+MS$FOCUSED_ION: BASE_PEAK 535.2153
+MS$FOCUSED_ION: PRECURSOR_M/Z 535.2156
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 2709350939.19
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-000i-0000090000-ca8b4c4bbac0941e2395
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  517.2058 C24H33N6O3S2+ 1 517.205 1.56
+  535.2153 C24H35N6O4S2+ 1 535.2156 -0.42
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  517.2058 10579263 12
+  535.2153 827560640 999
+//
diff --git a/Eawag/MSBNK-MLU-ED146602.txt b/Eawag/MSBNK-MLU-ED146602.txt
new file mode 100644
index 0000000000..87ed8d55e6
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED146602.txt
@@ -0,0 +1,54 @@
+ACCESSION: MSBNK-MLU-ED146602
+RECORD_TITLE: Aerucyclamide A; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+
+DATE: 2024.04.30
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Enke [dtc], H. Enke [dtc], A.  Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1466
+CH$NAME: Aerucyclamide A
+CH$NAME: (1S,4S,7R,8S,18R)-4,18-bis[(2S)-butan-2-yl]-7-methyl-6-oxa-13,20-dithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.15,8.112,15]tetracosa-5(24),12(23),14,19(22)-tetraene-2,9,16-trione
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C24H34N6O4S2
+CH$EXACT_MASS: 534.2082956
+CH$SMILES: CC[C@H](C)[C@H]1C2=N[C@@H]([C@H](O2)C)C(=O)NCC3=NC(=CS3)C(=O)N[C@@H](C4=N[C@H](CS4)C(=O)N1)[C@@H](C)CC
+CH$IUPAC: InChI=1S/C24H34N6O4S2/c1-6-11(3)17-23-30-19(13(5)34-23)22(33)25-8-16-26-14(9-35-16)20(31)29-18(12(4)7-2)24-27-15(10-36-24)21(32)28-17/h9,11-13,15,17-19H,6-8,10H2,1-5H3,(H,25,33)(H,28,32)(H,29,31)/t11-,12-,13+,15+,17-,18+,19-/m0/s1
+CH$LINK: CHEBI 184019
+CH$LINK: PUBCHEM CID:24970830
+CH$LINK: INCHIKEY VJFRQMMMXJJUSM-VZGZUROSSA-N
+CH$LINK: CHEMSPIDER 23342203
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-565
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.013 min
+MS$FOCUSED_ION: BASE_PEAK 535.2153
+MS$FOCUSED_ION: PRECURSOR_M/Z 535.2156
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 2709350939.19
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-000i-0000090000-51b96b67ed5e1cea31f8
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  424.1829 C19H30N5O2S2+ 3 424.1835 -1.5
+  450.1255 C19H24N5O4S2+ 1 450.1264 -2.01
+  507.2191 C23H35N6O3S2+ 1 507.2207 -3.1
+  517.2048 C24H33N6O3S2+ 1 517.205 -0.33
+  535.2154 C24H35N6O4S2+ 1 535.2156 -0.3
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  424.1829 9903063 14
+  450.1255 13534947 20
+  507.2191 7213493.5 10
+  517.2048 39693344 58
+  535.2154 672184256 999
+//
diff --git a/Eawag/MSBNK-MLU-ED146603.txt b/Eawag/MSBNK-MLU-ED146603.txt
new file mode 100644
index 0000000000..c16779bf9a
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED146603.txt
@@ -0,0 +1,86 @@
+ACCESSION: MSBNK-MLU-ED146603
+RECORD_TITLE: Aerucyclamide A; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+
+DATE: 2024.04.30
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Enke [dtc], H. Enke [dtc], A.  Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1466
+CH$NAME: Aerucyclamide A
+CH$NAME: (1S,4S,7R,8S,18R)-4,18-bis[(2S)-butan-2-yl]-7-methyl-6-oxa-13,20-dithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.15,8.112,15]tetracosa-5(24),12(23),14,19(22)-tetraene-2,9,16-trione
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C24H34N6O4S2
+CH$EXACT_MASS: 534.2082956
+CH$SMILES: CC[C@H](C)[C@H]1C2=N[C@@H]([C@H](O2)C)C(=O)NCC3=NC(=CS3)C(=O)N[C@@H](C4=N[C@H](CS4)C(=O)N1)[C@@H](C)CC
+CH$IUPAC: InChI=1S/C24H34N6O4S2/c1-6-11(3)17-23-30-19(13(5)34-23)22(33)25-8-16-26-14(9-35-16)20(31)29-18(12(4)7-2)24-27-15(10-36-24)21(32)28-17/h9,11-13,15,17-19H,6-8,10H2,1-5H3,(H,25,33)(H,28,32)(H,29,31)/t11-,12-,13+,15+,17-,18+,19-/m0/s1
+CH$LINK: CHEBI 184019
+CH$LINK: PUBCHEM CID:24970830
+CH$LINK: INCHIKEY VJFRQMMMXJJUSM-VZGZUROSSA-N
+CH$LINK: CHEMSPIDER 23342203
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-565
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.013 min
+MS$FOCUSED_ION: BASE_PEAK 535.2153
+MS$FOCUSED_ION: PRECURSOR_M/Z 535.2156
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 2709350939.19
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-000i-0000190000-4186ef1db5be0b044988
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  84.0443 C4H6NO+ 1 84.0444 -0.52
+  86.0963 C5H12N+ 1 86.0964 -0.96
+  152.1068 C9H14NO+ 2 152.107 -1.16
+  154.0684 C8H12NS+ 2 154.0685 -0.95
+  199.0898 CH19N4O3S2+ 3 199.0893 2.62
+  226.1009 C10H16N3OS+ 3 226.1009 0.18
+  267.1529 C14H23N2OS+ 3 267.1526 1.1
+  269.0702 C16H7N5+ 3 269.0696 2.09
+  337.1325 C21H15N5+ 4 337.1322 0.97
+  422.1319 C18H24N5O3S2+ 3 422.1315 0.95
+  424.1832 C19H30N5O2S2+ 3 424.1835 -0.78
+  432.206 C21H30N5O3S+ 2 432.2064 -0.8
+  450.1248 C19H24N5O4S2+ 2 450.1264 -3.64
+  450.1972 C24H28N5O2S+ 2 450.1958 3.07
+  461.1429 C20H25N6O3S2+ 2 461.1424 1.18
+  464.1787 C21H30N5O3S2+ 2 464.1785 0.63
+  490.1959 C23H32N5O3S2+ 1 490.1941 3.62
+  501.2274 C24H33N6O4S+ 1 501.2279 -1
+  507.2212 C23H35N6O3S2+ 1 507.2207 0.99
+  517.205 C24H33N6O3S2+ 1 517.205 -0.09
+  535.2155 C24H35N6O4S2+ 1 535.2156 -0.19
+PK$NUM_PEAK: 21
+PK$PEAK: m/z int. rel.int.
+  84.0443 8869912 20
+  86.0963 19047708 44
+  152.1068 5050211 11
+  154.0684 6266252 14
+  199.0898 7835481.5 18
+  226.1009 5290244.5 12
+  267.1529 5038015.5 11
+  269.0702 7624944 17
+  337.1325 8455745 19
+  422.1319 6397728 15
+  424.1832 33575292 79
+  432.206 6323795.5 14
+  450.1248 32714340 77
+  450.1972 5385633 12
+  461.1429 8278664 19
+  464.1787 5902920 13
+  490.1959 11759030 27
+  501.2274 6945583.5 16
+  507.2212 20413698 48
+  517.205 99730624 235
+  535.2155 423669184 999
+//
diff --git a/Eawag/MSBNK-MLU-ED146604.txt b/Eawag/MSBNK-MLU-ED146604.txt
new file mode 100644
index 0000000000..907f46f704
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED146604.txt
@@ -0,0 +1,126 @@
+ACCESSION: MSBNK-MLU-ED146604
+RECORD_TITLE: Aerucyclamide A; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+
+DATE: 2024.04.30
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Enke [dtc], H. Enke [dtc], A.  Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1466
+CH$NAME: Aerucyclamide A
+CH$NAME: (1S,4S,7R,8S,18R)-4,18-bis[(2S)-butan-2-yl]-7-methyl-6-oxa-13,20-dithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.15,8.112,15]tetracosa-5(24),12(23),14,19(22)-tetraene-2,9,16-trione
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C24H34N6O4S2
+CH$EXACT_MASS: 534.2082956
+CH$SMILES: CC[C@H](C)[C@H]1C2=N[C@@H]([C@H](O2)C)C(=O)NCC3=NC(=CS3)C(=O)N[C@@H](C4=N[C@H](CS4)C(=O)N1)[C@@H](C)CC
+CH$IUPAC: InChI=1S/C24H34N6O4S2/c1-6-11(3)17-23-30-19(13(5)34-23)22(33)25-8-16-26-14(9-35-16)20(31)29-18(12(4)7-2)24-27-15(10-36-24)21(32)28-17/h9,11-13,15,17-19H,6-8,10H2,1-5H3,(H,25,33)(H,28,32)(H,29,31)/t11-,12-,13+,15+,17-,18+,19-/m0/s1
+CH$LINK: CHEBI 184019
+CH$LINK: PUBCHEM CID:24970830
+CH$LINK: INCHIKEY VJFRQMMMXJJUSM-VZGZUROSSA-N
+CH$LINK: CHEMSPIDER 23342203
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-565
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.013 min
+MS$FOCUSED_ION: BASE_PEAK 535.2153
+MS$FOCUSED_ION: PRECURSOR_M/Z 535.2156
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 2709350939.19
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00kr-2310490000-ee8bca1d44ddd2651001
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  56.0497 C3H6N+ 1 56.0495 3.28
+  69.0699 C5H9+ 1 69.0699 0.23
+  84.0444 C4H6NO+ 1 84.0444 0.21
+  86.0964 C5H12N+ 1 86.0964 0.28
+  130.0687 C6H12NS+ 2 130.0685 1.77
+  131.0274 C4H7N2OS+ 1 131.0274 0.04
+  141.0113 C5H5N2OS+ 1 141.0117 -2.76
+  152.1068 C9H14NO+ 2 152.107 -1.16
+  154.0683 C8H12NS+ 2 154.0685 -1.44
+  158.0385 C5H8N3OS+ 1 158.0383 1.42
+  165.1021 C9H13N2O+ 3 165.1022 -0.62
+  172.079 C8H14NOS+ 3 172.0791 -0.43
+  182.0631 C9H12NOS+ 2 182.0634 -1.51
+  184.0176 C6H6N3O2S+ 2 184.0175 0.22
+  184.0536 C7H10N3OS+ 1 184.0539 -1.73
+  199.0898 CH19N4O3S2+ 3 199.0893 2.47
+  209.0749 C10H13N2OS+ 2 209.0743 2.96
+  211.0892 C2H19N4O3S2+ 3 211.0893 -0.58
+  226.1006 C10H16N3OS+ 4 226.1009 -1.04
+  252.0808 C13H16O3S+ 3 252.0815 -2.65
+  252.1154 C4H22N5O3S2+ 4 252.1159 -1.73
+  266.0951 C4H20N5O4S2+ 4 266.0951 0.08
+  267.1526 C14H23N2OS+ 3 267.1526 0.19
+  269.0698 C16H7N5+ 3 269.0696 0.72
+  294.1635 C15H24N3OS+ 5 294.1635 0.04
+  309.1375 C6H25N6O4S2+ 4 309.1373 0.47
+  337.1333 C21H15N5+ 4 337.1322 3.42
+  361.1703 C20H27NO3S+ 3 361.1706 -0.85
+  416.1397 C19H22N5O4S+ 2 416.1387 2.37
+  424.1831 C19H30N5O2S2+ 3 424.1835 -1
+  432.1118 C22H18N5O3S+ 2 432.1125 -1.51
+  432.2053 C21H30N5O3S+ 1 432.2064 -2.42
+  450.1264 C19H24N5O4S2+ 1 450.1264 -0.11
+  450.197 C24H28N5O2S+ 2 450.1958 2.66
+  461.1429 C20H25N6O3S2+ 2 461.1424 1.11
+  464.1772 C21H30N5O3S2+ 2 464.1785 -2.66
+  490.1937 C23H32N5O3S2+ 1 490.1941 -0.8
+  501.2271 C24H33N6O4S+ 1 501.2279 -1.48
+  507.221 C23H35N6O3S2+ 1 507.2207 0.69
+  517.205 C24H33N6O3S2+ 1 517.205 -0.09
+  535.2155 C24H35N6O4S2+ 1 535.2156 -0.19
+PK$NUM_PEAK: 41
+PK$PEAK: m/z int. rel.int.
+  56.0497 2192527 13
+  69.0699 4363728 25
+  84.0444 24040888 143
+  86.0964 39095168 232
+  130.0687 2494919.8 14
+  131.0274 10500913 62
+  141.0113 1721102 10
+  152.1068 11955493 71
+  154.0683 26298268 156
+  158.0385 5032062 29
+  165.1021 2486489.8 14
+  172.079 5026201.5 29
+  182.0631 5219814.5 31
+  184.0176 2665750.5 15
+  184.0536 5769098.5 34
+  199.0898 26053302 155
+  209.0749 3511437.2 20
+  211.0892 1774382.4 10
+  226.1006 19063152 113
+  252.0808 3750093.5 22
+  252.1154 6279527 37
+  266.0951 4385976 26
+  267.1526 10463635 62
+  269.0698 15623946 93
+  294.1635 2597771 15
+  309.1375 11741482 69
+  337.1333 11686379 69
+  361.1703 4457479 26
+  416.1397 3379005.2 20
+  424.1831 51400028 305
+  432.1118 8820473 52
+  432.2053 12311975 73
+  450.1264 34163320 203
+  450.197 5399777 32
+  461.1429 13117702 78
+  464.1772 9400753 55
+  490.1937 19880504 118
+  501.2271 9229574 54
+  507.221 12266710 73
+  517.205 122494960 729
+  535.2155 167814288 999
+//
diff --git a/Eawag/MSBNK-MLU-ED146605.txt b/Eawag/MSBNK-MLU-ED146605.txt
new file mode 100644
index 0000000000..6fb2af21f4
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED146605.txt
@@ -0,0 +1,160 @@
+ACCESSION: MSBNK-MLU-ED146605
+RECORD_TITLE: Aerucyclamide A; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+
+DATE: 2024.04.30
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Enke [dtc], H. Enke [dtc], A.  Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1466
+CH$NAME: Aerucyclamide A
+CH$NAME: (1S,4S,7R,8S,18R)-4,18-bis[(2S)-butan-2-yl]-7-methyl-6-oxa-13,20-dithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.15,8.112,15]tetracosa-5(24),12(23),14,19(22)-tetraene-2,9,16-trione
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C24H34N6O4S2
+CH$EXACT_MASS: 534.2082956
+CH$SMILES: CC[C@H](C)[C@H]1C2=N[C@@H]([C@H](O2)C)C(=O)NCC3=NC(=CS3)C(=O)N[C@@H](C4=N[C@H](CS4)C(=O)N1)[C@@H](C)CC
+CH$IUPAC: InChI=1S/C24H34N6O4S2/c1-6-11(3)17-23-30-19(13(5)34-23)22(33)25-8-16-26-14(9-35-16)20(31)29-18(12(4)7-2)24-27-15(10-36-24)21(32)28-17/h9,11-13,15,17-19H,6-8,10H2,1-5H3,(H,25,33)(H,28,32)(H,29,31)/t11-,12-,13+,15+,17-,18+,19-/m0/s1
+CH$LINK: CHEBI 184019
+CH$LINK: PUBCHEM CID:24970830
+CH$LINK: INCHIKEY VJFRQMMMXJJUSM-VZGZUROSSA-N
+CH$LINK: CHEMSPIDER 23342203
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-565
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.013 min
+MS$FOCUSED_ION: BASE_PEAK 535.2153
+MS$FOCUSED_ION: PRECURSOR_M/Z 535.2156
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 2709350939.19
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-1010-3920000000-9e0bfb7ef12711b6645a
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  69.0334 C4H5O+ 1 69.0335 -0.64
+  69.0699 C5H9+ 1 69.0699 1
+  72.0681 C3H8N2+ 1 72.0682 -0.82
+  84.0444 C4H6NO+ 1 84.0444 0.48
+  84.0805 C5H10N+ 1 84.0808 -2.97
+  86.0059 C3H4NS+ 1 86.0059 0.26
+  86.0964 C5H12N+ 1 86.0964 0.01
+  96.0445 C5H6NO+ 1 96.0444 1.49
+  98.0059 C4H4NS+ 1 98.0059 -0.34
+  113.0419 C6H9S+ 1 113.0419 -0.41
+  116.0164 C4H6NOS+ 1 116.0165 -0.52
+  125.1073 C7H13N2+ 1 125.1073 -0.16
+  131.0274 C4H7N2OS+ 1 131.0274 0.04
+  138.0913 C8H12NO+ 2 138.0913 -0.15
+  140.107 H18N3O3S+ 2 140.1063 4.48
+  141.0116 C5H5N2OS+ 1 141.0117 -0.7
+  141.1022 C7H13N2O+ 1 141.1022 -0.16
+  143.0272 C5H7N2OS+ 1 143.0274 -1.46
+  144.0114 C5H6NO2S+ 1 144.0114 -0.04
+  152.1068 C9H14NO+ 2 152.107 -1.06
+  153.1022 H17N4O3S+ 3 153.1016 4.24
+  153.1384 C9H17N2+ 2 153.1386 -1.46
+  154.0683 C8H12NS+ 2 154.0685 -1.15
+  156.0224 C5H6N3OS+ 1 156.0226 -1.27
+  158.0381 C5H8N3OS+ 1 158.0383 -0.9
+  159.0225 C5H7N2O2S+ 2 159.0223 1.28
+  165.1023 C9H13N2O+ 3 165.1022 0.49
+  172.0787 C8H14NOS+ 2 172.0791 -2.38
+  181.0798 C9H13N2S+ 3 181.0794 2.3
+  182.0632 C9H12NOS+ 3 182.0634 -1.01
+  184.0174 C6H6N3O2S+ 2 184.0175 -0.94
+  184.0535 C7H10N3OS+ 1 184.0539 -1.98
+  185.0011 C6H5N2O3S+ 1 185.0015 -2.12
+  191.0638 C10H11N2S+ 3 191.0637 0.03
+  196.0539 H14N5O3S2+ 3 196.0533 3.3
+  199.0899 CH19N4O3S2+ 3 199.0893 2.93
+  200.0739 C9H14NO2S+ 2 200.074 -0.36
+  209.0743 C10H13N2OS+ 3 209.0743 -0.1
+  220.1448 C6H24N2O4S+ 4 220.1451 -1.55
+  224.0489 CH14N5O4S2+ 3 224.0482 3.15
+  227.0843 C2H19N4O4S2+ 3 227.0842 0.47
+  236.0845 C3H18N5O3S2+ 3 236.0846 -0.04
+  237.1048 C4H21N4O3S2+ 3 237.105 -0.48
+  241.0749 CH17N6O4S2+ 3 241.0747 0.93
+  248.0842 C4H18N5O3S2+ 4 248.0846 -1.35
+  252.0428 C16H4N4+ 4 252.043 -0.96
+  252.0815 C13H16O3S+ 3 252.0815 -0.05
+  266.0957 C12H16N3O2S+ 4 266.0958 -0.3
+  269.0697 C16H7N5+ 3 269.0696 0.27
+  304.0571 C14H14N3OS2+ 3 304.0573 -0.48
+  311.0996 C13H19N4OS2+ 2 311.0995 0.48
+  347.0626 C20H13NO3S+ 3 347.0611 4.41
+  350.1103 C15H20N5OS2+ 2 350.1104 -0.34
+  405.1045 C24H15N5S+ 4 405.1043 0.49
+  416.1387 C19H22N5O4S+ 1 416.1387 0.02
+  432.1125 C22H18N5O3S+ 2 432.1125 0.12
+  490.1941 C23H32N5O3S2+ 1 490.1941 0.01
+  517.2045 C24H33N6O3S2+ 1 517.205 -0.92
+PK$NUM_PEAK: 58
+PK$PEAK: m/z int. rel.int.
+  69.0334 4018508.2 75
+  69.0699 20334092 379
+  72.0681 1697760.4 31
+  84.0444 30403270 567
+  84.0805 4259619 79
+  86.0059 5852805.5 109
+  86.0964 42876324 800
+  96.0445 2044265.9 38
+  98.0059 3740753.5 69
+  113.0419 2023470.6 37
+  116.0164 2905585.8 54
+  125.1073 5799024 108
+  131.0274 38500804 718
+  138.0913 1964022.9 36
+  140.107 1426023.1 26
+  141.0116 10139601 189
+  141.1022 8112673.5 151
+  143.0272 2980188 55
+  144.0114 2969011 55
+  152.1068 17021944 317
+  153.1022 2192034.5 40
+  153.1384 1740230.2 32
+  154.0683 53513940 999
+  156.0224 3012837.8 56
+  158.0381 28692118 535
+  159.0225 4163694.8 77
+  165.1023 5224056 97
+  172.0787 10561098 197
+  181.0798 4559645.5 85
+  182.0632 5187499.5 96
+  184.0174 11335594 211
+  184.0535 14484321 270
+  185.0011 4641896 86
+  191.0638 2412712.2 45
+  196.0539 1973742.1 36
+  199.0899 29818162 556
+  200.0739 3203748.5 59
+  209.0743 14734115 275
+  220.1448 3055260 57
+  224.0489 4518198 84
+  227.0843 1658776.2 30
+  236.0845 5806394 108
+  237.1048 1413369.2 26
+  241.0749 4712503.5 87
+  248.0842 3554832 66
+  252.0428 5219908.5 97
+  252.0815 4637669.5 86
+  266.0957 8832829 164
+  269.0697 6078367 113
+  304.0571 2843563.8 53
+  311.0996 2189326.5 40
+  347.0626 1823554.4 34
+  350.1103 2045395.6 38
+  405.1045 6348193.5 118
+  416.1387 2947094.8 55
+  432.1125 4483128.5 83
+  490.1941 7537666 140
+  517.2045 21068524 393
+//
diff --git a/Eawag/MSBNK-MLU-ED146606.txt b/Eawag/MSBNK-MLU-ED146606.txt
new file mode 100644
index 0000000000..cd510f22ad
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED146606.txt
@@ -0,0 +1,212 @@
+ACCESSION: MSBNK-MLU-ED146606
+RECORD_TITLE: Aerucyclamide A; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+
+DATE: 2024.04.30
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Enke [dtc], H. Enke [dtc], A.  Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1466
+CH$NAME: Aerucyclamide A
+CH$NAME: (1S,4S,7R,8S,18R)-4,18-bis[(2S)-butan-2-yl]-7-methyl-6-oxa-13,20-dithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.15,8.112,15]tetracosa-5(24),12(23),14,19(22)-tetraene-2,9,16-trione
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C24H34N6O4S2
+CH$EXACT_MASS: 534.2082956
+CH$SMILES: CC[C@H](C)[C@H]1C2=N[C@@H]([C@H](O2)C)C(=O)NCC3=NC(=CS3)C(=O)N[C@@H](C4=N[C@H](CS4)C(=O)N1)[C@@H](C)CC
+CH$IUPAC: InChI=1S/C24H34N6O4S2/c1-6-11(3)17-23-30-19(13(5)34-23)22(33)25-8-16-26-14(9-35-16)20(31)29-18(12(4)7-2)24-27-15(10-36-24)21(32)28-17/h9,11-13,15,17-19H,6-8,10H2,1-5H3,(H,25,33)(H,28,32)(H,29,31)/t11-,12-,13+,15+,17-,18+,19-/m0/s1
+CH$LINK: CHEBI 184019
+CH$LINK: PUBCHEM CID:24970830
+CH$LINK: INCHIKEY VJFRQMMMXJJUSM-VZGZUROSSA-N
+CH$LINK: CHEMSPIDER 23342203
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-565
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.013 min
+MS$FOCUSED_ION: BASE_PEAK 535.2153
+MS$FOCUSED_ION: PRECURSOR_M/Z 535.2156
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 2709350939.19
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0kar-5920000000-17aba90c52e6a5b7acca
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  56.0497 C3H6N+ 1 56.0495 4.71
+  58.9951 C2H3S+ 1 58.995 1.36
+  67.0543 C5H7+ 1 67.0542 0.83
+  68.0494 C4H6N+ 1 68.0495 -0.55
+  69.0336 C4H5O+ 1 69.0335 1.02
+  69.07 C5H9+ 1 69.0699 1.67
+  70.0651 C4H8N+ 1 70.0651 -0.56
+  72.0681 C3H8N2+ 1 72.0682 -1.35
+  84.0444 C4H6NO+ 1 84.0444 0.12
+  84.0808 C5H10N+ 1 84.0808 0.65
+  86.0059 C3H4NS+ 1 86.0059 -0.01
+  86.0964 C5H12N+ 1 86.0964 -0.25
+  86.9897 C3H3OS+ 1 86.9899 -2.45
+  94.0651 C6H8N+ 1 94.0651 -0.76
+  96.0444 C5H6NO+ 1 96.0444 0.06
+  96.0807 C6H10N+ 1 96.0808 -0.67
+  97.0647 C6H9O+ 1 97.0648 -0.9
+  98.0058 C4H4NS+ 1 98.0059 -0.73
+  98.0964 C6H12N+ 1 98.0964 -0.32
+  104.0164 C3H6NOS+ 1 104.0165 -0.55
+  108.0806 C7H10N+ 1 108.0808 -2.03
+  109.0394 C5H5N2O+ 1 109.0396 -1.8
+  111.0551 C5H7N2O+ 1 111.0553 -1.43
+  112.0216 C5H6NS+ 1 112.0215 0.3
+  113.0292 C5H7NS+ 1 113.0294 -1.2
+  116.0166 C4H6NOS+ 1 116.0165 1.19
+  124.0758 C7H10NO+ 2 124.0757 0.78
+  124.112 C8H14N+ 2 124.1121 -0.88
+  125.0165 C5H5N2S+ 1 125.0168 -2.18
+  125.1072 C7H13N2+ 1 125.1073 -0.7
+  126.0008 C5H4NOS+ 1 126.0008 0.26
+  126.0371 C6H8NS+ 1 126.0372 -0.47
+  128.0528 C6H10NS+ 1 128.0528 -0.01
+  129.0116 C4H5N2OS+ 1 129.0117 -1.03
+  131.0273 C4H7N2OS+ 1 131.0274 -0.42
+  138.0911 C8H12NO+ 2 138.0913 -2.03
+  141.0117 C5H5N2OS+ 1 141.0117 -0.38
+  141.1021 C7H13N2O+ 1 141.1022 -1.02
+  141.9955 C5H4NO2S+ 1 141.9957 -1.42
+  144.0113 C5H6NO2S+ 1 144.0114 -0.68
+  152.0531 C8H10NS+ 2 152.0528 1.59
+  152.1068 C9H14NO+ 2 152.107 -1.56
+  153.1022 H17N4O3S+ 3 153.1016 4.04
+  154.0683 C8H12NS+ 2 154.0685 -1.44
+  156.0226 C5H6N3OS+ 1 156.0226 -0.1
+  158.0381 C5H8N3OS+ 1 158.0383 -0.9
+  159.0222 C5H7N2O2S+ 2 159.0223 -0.54
+  165.1023 C9H13N2O+ 3 165.1022 0.12
+  168.0229 C6H6N3OS+ 2 168.0226 1.75
+  172.0791 C8H14NOS+ 3 172.0791 0.01
+  180.022 C7H6N3OS+ 2 180.0226 -3.6
+  180.0354 C8H8N2OS+ 3 180.0352 1.3
+  181.0429 C8H9N2OS+ 3 181.043 -0.44
+  182.0633 C9H12NOS+ 3 182.0634 -0.84
+  184.0173 C6H6N3O2S+ 2 184.0175 -1.19
+  184.0538 C7H10N3OS+ 2 184.0539 -0.32
+  185.0013 C6H5N2O3S+ 2 185.0015 -1.21
+  185.0375 C7H9N2O2S+ 1 185.0379 -2.16
+  192.1498 C11H18N3+ 2 192.1495 1.67
+  199.017 C7H7N2O3S+ 3 199.0172 -1.1
+  199.0897 CH19N4O3S2+ 3 199.0893 2.01
+  200.074 C9H14NO2S+ 2 200.074 0.02
+  207.1126 C11H15N2O2+ 2 207.1128 -1.21
+  208.0175 C8H6N3O2S+ 3 208.0175 -0.22
+  208.0896 C2H18N5O2S2+ 2 208.0896 -0.03
+  209.0742 C10H13N2OS+ 3 209.0743 -0.61
+  210.0587 C10H12NO2S+ 2 210.0583 1.77
+  224.049 CH14N5O4S2+ 3 224.0482 3.7
+  226.0276 C14H2N4+ 4 226.0274 1.08
+  226.1006 C10H16N3OS+ 4 226.1009 -1.24
+  236.0848 C3H18N5O3S2+ 4 236.0846 1.13
+  247.0226 C11H9N3S2+ 1 247.0232 -2.75
+  251.0589 C2H15N6O4S2+ 3 251.0591 -0.8
+  252.0822 C13H16O3S+ 3 252.0815 3.1
+  266.0959 C12H16N3O2S+ 4 266.0958 0.5
+  276.0608 C18H12OS+ 3 276.0603 1.81
+  278.0782 C13H16N3S2+ 3 278.078 0.57
+  304.0572 C14H14N3OS2+ 3 304.0573 -0.38
+  319.0683 C14H15N4OS2+ 2 319.0682 0.29
+  321.083 C14H17N4OS2+ 2 321.0838 -2.44
+  350.1095 C15H20N5OS2+ 2 350.1104 -2.43
+  404.1194 C18H22N5O2S2+ 3 404.1209 -3.78
+  405.1044 C24H15N5S+ 4 405.1043 0.41
+  432.2048 C21H30N5O3S+ 2 432.2064 -3.62
+PK$NUM_PEAK: 84
+PK$PEAK: m/z int. rel.int.
+  56.0497 17506184 247
+  58.9951 5159334 73
+  67.0543 2058961.9 29
+  68.0494 2411443.5 34
+  69.0336 11720453 165
+  69.07 56087924 793
+  70.0651 2728031.8 38
+  72.0681 2958082.5 41
+  84.0444 52438264 742
+  84.0808 9569830 135
+  86.0059 21709288 307
+  86.0964 59451976 841
+  86.9897 2684576.2 37
+  94.0651 3124595.2 44
+  96.0444 5477030.5 77
+  96.0807 4890918.5 69
+  97.0647 5603453.5 79
+  98.0058 16791506 237
+  98.0964 2458348.5 34
+  104.0164 7885841 111
+  108.0806 2332960.2 33
+  109.0394 1612247.8 22
+  111.0551 1701139.4 24
+  112.0216 15265274 216
+  113.0292 1499075.1 21
+  116.0166 7802707 110
+  124.0758 2086731.9 29
+  124.112 2553072.5 36
+  125.0165 2718833.5 38
+  125.1072 7093355 100
+  126.0008 5050219 71
+  126.0371 2697239.8 38
+  128.0528 1610758.4 22
+  129.0116 4031477.2 57
+  131.0273 65100240 921
+  138.0911 3293320.8 46
+  141.0117 38993256 551
+  141.1021 9779838 138
+  141.9955 2019314.6 28
+  144.0113 13978940 197
+  152.0531 1136865.1 16
+  152.1068 20186644 285
+  153.1022 2992820.8 42
+  154.0683 70577696 999
+  156.0226 9417613 133
+  158.0381 53669960 759
+  159.0222 19092738 270
+  165.1023 6535900.5 92
+  168.0229 1737073.4 24
+  172.0791 9386818 132
+  180.022 2477923.8 35
+  180.0354 1995994.5 28
+  181.0429 2625130.2 37
+  182.0633 3996260 56
+  184.0173 14202865 201
+  184.0538 15665126 221
+  185.0013 22981868 325
+  185.0375 27555178 390
+  192.1498 2276064.8 32
+  199.017 2825835 39
+  199.0897 21212706 300
+  200.074 4014660.5 56
+  207.1126 3568779.8 50
+  208.0175 3415935.5 48
+  208.0896 3146096.2 44
+  209.0742 23488856 332
+  210.0587 1980291.1 28
+  224.049 8548469 121
+  226.0276 7168778 101
+  226.1006 25179244 356
+  236.0848 8045814.5 113
+  247.0226 2072486.9 29
+  251.0589 2885577.5 40
+  252.0822 1050405 14
+  266.0959 9234887 130
+  276.0608 8694830 123
+  278.0782 3231047.5 45
+  304.0572 7091785 100
+  319.0683 9022753 127
+  321.083 4416390.5 62
+  350.1095 2354246.8 33
+  404.1194 1812810.6 25
+  405.1044 3298782 46
+  432.2048 1746438.1 24
+//
diff --git a/Eawag/MSBNK-MLU-ED146607.txt b/Eawag/MSBNK-MLU-ED146607.txt
new file mode 100644
index 0000000000..c350158058
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED146607.txt
@@ -0,0 +1,262 @@
+ACCESSION: MSBNK-MLU-ED146607
+RECORD_TITLE: Aerucyclamide A; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+
+DATE: 2024.04.30
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Enke [dtc], H. Enke [dtc], A.  Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1466
+CH$NAME: Aerucyclamide A
+CH$NAME: (1S,4S,7R,8S,18R)-4,18-bis[(2S)-butan-2-yl]-7-methyl-6-oxa-13,20-dithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.15,8.112,15]tetracosa-5(24),12(23),14,19(22)-tetraene-2,9,16-trione
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C24H34N6O4S2
+CH$EXACT_MASS: 534.2082956
+CH$SMILES: CC[C@H](C)[C@H]1C2=N[C@@H]([C@H](O2)C)C(=O)NCC3=NC(=CS3)C(=O)N[C@@H](C4=N[C@H](CS4)C(=O)N1)[C@@H](C)CC
+CH$IUPAC: InChI=1S/C24H34N6O4S2/c1-6-11(3)17-23-30-19(13(5)34-23)22(33)25-8-16-26-14(9-35-16)20(31)29-18(12(4)7-2)24-27-15(10-36-24)21(32)28-17/h9,11-13,15,17-19H,6-8,10H2,1-5H3,(H,25,33)(H,28,32)(H,29,31)/t11-,12-,13+,15+,17-,18+,19-/m0/s1
+CH$LINK: CHEBI 184019
+CH$LINK: PUBCHEM CID:24970830
+CH$LINK: INCHIKEY VJFRQMMMXJJUSM-VZGZUROSSA-N
+CH$LINK: CHEMSPIDER 23342203
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-565
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.013 min
+MS$FOCUSED_ION: BASE_PEAK 535.2153
+MS$FOCUSED_ION: PRECURSOR_M/Z 535.2156
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 2709350939.19
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00li-6910000000-db325e29a18cffb92de1
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  54.034 C3H4N+ 1 54.0338 3.73
+  56.0497 C3H6N+ 1 56.0495 4.44
+  57.07 C4H9+ 1 57.0699 2.96
+  58.0653 C3H8N+ 1 58.0651 2.69
+  58.9952 C2H3S+ 1 58.995 3.95
+  67.0544 C5H7+ 1 67.0542 2.88
+  68.0495 C4H6N+ 1 68.0495 0.46
+  69.0336 C4H5O+ 1 69.0335 2.23
+  69.07 C5H9+ 1 69.0699 1.89
+  72.0682 C3H8N2+ 1 72.0682 0.24
+  79.0541 C6H7+ 1 79.0542 -2.14
+  82.065 C5H8N+ 1 82.0651 -1.34
+  83.0607 C4H7N2+ 1 83.0604 3.88
+  84.0444 C4H6NO+ 1 84.0444 0.57
+  84.0807 C5H10N+ 1 84.0808 -0.34
+  85.0396 C3H5N2O+ 1 85.0396 0.1
+  86.0059 C3H4NS+ 1 86.0059 -0.28
+  86.0964 C5H12N+ 1 86.0964 0.1
+  86.9899 C3H3OS+ 1 86.9899 0.19
+  88.0217 C3H6NS+ 1 88.0215 1.3
+  94.0651 C6H8N+ 1 94.0651 0.21
+  95.0606 C5H7N2+ 1 95.0604 2.54
+  95.0728 C6H9N+ 1 95.073 -1.58
+  96.0443 C5H6NO+ 1 96.0444 -0.74
+  96.0808 C6H10N+ 1 96.0808 -0.11
+  97.0397 C4H5N2O+ 1 97.0396 0.33
+  97.0647 C6H9O+ 1 97.0648 -1.45
+  98.0058 C4H4NS+ 1 98.0059 -0.65
+  98.0962 C6H12N+ 1 98.0964 -1.95
+  99.0137 C4H5NS+ 1 99.0137 0.14
+  104.0163 C3H6NOS+ 1 104.0165 -1.28
+  108.0808 C7H10N+ 1 108.0808 -0.13
+  110.06 C6H8NO+ 1 110.06 -0.15
+  110.0965 C7H12N+ 1 110.0964 0.74
+  111.0261 C6H7S+ 1 111.0263 -2.13
+  112.0215 C5H6NS+ 1 112.0215 -0.38
+  113.0166 C4H5N2S+ 1 113.0168 -1.45
+  113.0294 C5H7NS+ 1 113.0294 0.08
+  113.0419 C6H9S+ 1 113.0419 -0.68
+  114.0008 C4H4NOS+ 1 114.0008 0.29
+  116.0166 C4H6NOS+ 1 116.0165 1.19
+  120.0806 C8H10N+ 2 120.0808 -1.71
+  121.0887 C8H11N+ 2 121.0886 0.93
+  124.0751 C7H10NO+ 1 124.0757 -4.63
+  124.1119 C8H14N+ 2 124.1121 -1.13
+  125.0166 C5H5N2S+ 1 125.0168 -1.51
+  126.0011 C5H4NOS+ 1 126.0008 2.08
+  126.0373 C6H8NS+ 2 126.0372 0.98
+  129.0117 C4H5N2OS+ 1 129.0117 -0.21
+  129.9958 C4H4NO2S+ 1 129.9957 0.61
+  131.0273 C4H7N2OS+ 1 131.0274 -0.65
+  137.071 C7H9N2O+ 2 137.0709 0.74
+  139.0446 C7H9NS+ 1 139.045 -2.98
+  141.0116 C5H5N2OS+ 1 141.0117 -0.7
+  141.1023 C7H13N2O+ 2 141.1022 0.49
+  141.9955 C5H4NO2S+ 1 141.9957 -1.85
+  142.0195 C5H6N2OS+ 1 142.0195 0.04
+  143.0037 C5H5NO2S+ 1 143.0036 1.14
+  144.0113 C5H6NO2S+ 1 144.0114 -0.68
+  149.107 C9H13N2+ 2 149.1073 -2
+  150.0371 C8H8NS+ 3 150.0372 -0.37
+  151.0322 C7H7N2S+ 1 151.0324 -1.34
+  152.1071 C9H14NO+ 3 152.107 0.45
+  153.0116 C6H5N2OS+ 1 153.0117 -1.02
+  153.1017 H17N4O3S+ 2 153.1016 0.55
+  154.0683 C8H12NS+ 2 154.0685 -1.54
+  155.0276 C6H7N2OS+ 2 155.0274 1.72
+  157.0071 C5H5N2O2S+ 2 157.0066 2.79
+  158.038 C5H8N3OS+ 1 158.0383 -1.86
+  159.0221 C5H7N2O2S+ 1 159.0223 -1.4
+  160.0065 C5H6NO3S+ 1 160.0063 1.53
+  165.1023 C9H13N2O+ 3 165.1022 0.21
+  167.0271 C7H7N2OS+ 1 167.0274 -1.66
+  168.0223 C6H6N3OS+ 1 168.0226 -1.79
+  169.0068 C6H5N2O2S+ 2 169.0066 1.07
+  170.0386 H14N2O4S2+ 2 170.039 -2.02
+  171.0221 C6H7N2O2S+ 2 171.0223 -0.76
+  172.0797 C8H14NOS+ 2 172.0791 3.82
+  179.0138 C5H3N6S+ 1 179.0134 2.06
+  180.022 C7H6N3OS+ 2 180.0226 -3.26
+  181.0057 C5H3N5OS+ 1 181.0053 2.3
+  181.0429 C8H9N2OS+ 3 181.043 -0.86
+  181.0794 C9H13N2S+ 3 181.0794 -0.23
+  184.017 C6H6N3O2S+ 2 184.0175 -2.85
+  184.0533 C7H10N3OS+ 2 184.0539 -3.14
+  185.0015 C6H5N2O3S+ 2 185.0015 -0.38
+  185.0376 C7H9N2O2S+ 1 185.0379 -1.58
+  191.0638 C10H11N2S+ 3 191.0637 0.27
+  196.0537 H14N5O3S2+ 3 196.0533 2.45
+  197.0381 C8H9N2O2S+ 3 197.0379 0.81
+  199.0172 C7H7N2O3S+ 3 199.0172 0.2
+  199.09 CH19N4O3S2+ 3 199.0893 3.62
+  200.0741 C9H14NO2S+ 2 200.074 0.7
+  207.022 CH11N4O4S2+ 3 207.0216 2.01
+  208.017 C8H6N3O2S+ 3 208.0175 -2.57
+  208.984 C8H5N2OS2+ 1 208.9838 1.13
+  209.0744 C10H13N2OS+ 3 209.0743 0.41
+  210.0586 C10H12NO2S+ 2 210.0583 1.4
+  220.1453 C6H24N2O4S+ 3 220.1451 0.66
+  224.0481 CH14N5O4S2+ 3 224.0482 -0.25
+  226.0277 C14H2N4+ 4 226.0274 1.49
+  227.0844 C2H19N4O4S2+ 4 227.0842 0.81
+  236.0439 C11H4N6O+ 3 236.0441 -0.89
+  247.0234 C11H9N3S2+ 3 247.0232 0.71
+  252.0429 C16H4N4+ 4 252.043 -0.66
+  266.095 C4H20N5O4S2+ 4 266.0951 -0.49
+  276.0619 C13H14N3S2+ 1 276.0624 -1.78
+  304.057 C14H14N3OS2+ 2 304.0573 -1.08
+  319.0681 C14H15N4OS2+ 2 319.0682 -0.38
+PK$NUM_PEAK: 109
+PK$PEAK: m/z int. rel.int.
+  54.034 2405932 39
+  56.0497 22121444 366
+  57.07 1846173 30
+  58.0653 3334336.5 55
+  58.9952 8139153.5 135
+  67.0544 2405893.2 39
+  68.0495 4669713.5 77
+  69.0336 14091290 233
+  69.07 60219416 999
+  72.0682 3028497.8 50
+  79.0541 1878380 31
+  82.065 1437462 23
+  83.0607 1729760.4 28
+  84.0444 38770740 643
+  84.0807 10575185 175
+  85.0396 2782322 46
+  86.0059 29804290 494
+  86.0964 40555700 672
+  86.9899 3147014.2 52
+  88.0217 961295.4 15
+  94.0651 3891068 64
+  95.0606 1227999.1 20
+  95.0728 1167658.9 19
+  96.0443 8920194 147
+  96.0808 5161844 85
+  97.0397 3082685.5 51
+  97.0647 3950834 65
+  98.0058 28530910 473
+  98.0962 2740774 45
+  99.0137 4649114 77
+  104.0163 5130957 85
+  108.0808 2372691.2 39
+  110.06 1970242.9 32
+  110.0965 2851087 47
+  111.0261 1130033.6 18
+  112.0215 19269146 319
+  113.0166 4260563 70
+  113.0294 3098516.5 51
+  113.0419 1393633.8 23
+  114.0008 5048619 83
+  116.0166 6316124.5 104
+  120.0806 1546193.9 25
+  121.0887 2173312 36
+  124.0751 1148576.5 19
+  124.1119 1867060.4 30
+  125.0166 2356575.8 39
+  126.0011 7069680.5 117
+  126.0373 3176155.2 52
+  129.0117 2337044 38
+  129.9958 5050620.5 83
+  131.0273 31565686 523
+  137.071 1311481.4 21
+  139.0446 1167683.8 19
+  141.0116 44273744 734
+  141.1023 5786783 95
+  141.9955 3745763.8 62
+  142.0195 2536592 42
+  143.0037 2461671.8 40
+  144.0113 19866426 329
+  149.107 1838354 30
+  150.0371 1402316.8 23
+  151.0322 1438461.6 23
+  152.1071 7565656.5 125
+  153.0116 3846566 63
+  153.1017 2016046.6 33
+  154.0683 38769892 643
+  155.0276 2341376.5 38
+  157.0071 7600176.5 126
+  158.038 22084810 366
+  159.0221 33633032 557
+  160.0065 1464218.1 24
+  165.1023 3065036.8 50
+  167.0271 1594685 26
+  168.0223 1289929.9 21
+  169.0068 1968401.2 32
+  170.0386 1091239 18
+  171.0221 1320399.5 21
+  172.0797 1190972.2 19
+  179.0138 1038897.1 17
+  180.022 2215694 36
+  181.0057 1103134.2 18
+  181.0429 2036343 33
+  181.0794 3559252 59
+  184.017 5895394.5 97
+  184.0533 4553026.5 75
+  185.0015 31508922 522
+  185.0376 26315314 436
+  191.0638 5780296 95
+  196.0537 3086567.8 51
+  197.0381 1904498.8 31
+  199.0172 1945950.6 32
+  199.09 4773866 79
+  200.0741 2849965 47
+  207.022 2870645.8 47
+  208.017 4480529 74
+  208.984 1742777.8 28
+  209.0744 11156832 185
+  210.0586 1140131 18
+  220.1453 992857.6 16
+  224.0481 4835720.5 80
+  226.0277 3303321 54
+  227.0844 1020225.5 16
+  236.0439 3540253.2 58
+  247.0234 5862643 97
+  252.0429 2706424.8 44
+  266.095 2630109.5 43
+  276.0619 6624856 109
+  304.057 2552608.8 42
+  319.0681 6285676 104
+//
diff --git a/Eawag/MSBNK-MLU-ED146901.txt b/Eawag/MSBNK-MLU-ED146901.txt
new file mode 100644
index 0000000000..cbd41e2672
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED146901.txt
@@ -0,0 +1,51 @@
+ACCESSION: MSBNK-MLU-ED146901
+RECORD_TITLE: Aerucyclamide C; LC-ESI-QFT; MS2; CE: 15%; R=17500; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Enke [dtc], H. Enke [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1469
+CH$NAME: Aerucyclamide C
+CH$NAME: (4S,7R,8S,11S,18R)-18-[(2S)-butan-2-yl]-4,7-dimethyl-11-propan-2-yl-6,13-dioxa-20-thia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.15,8.112,15]tetracosa-1(21),5(24),12(23),14,19(22)-pentaene-2,9,16-trione
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C24H32N6O5S
+CH$EXACT_MASS: 516.2154891
+CH$SMILES: CC[C@H](C)[C@@H]1C2=NC(=CS2)C(=O)N[C@H](C3=N[C@@H]([C@H](O3)C)C(=O)N[C@H](C4=NC(=CO4)C(=O)N1)C(C)C)C
+CH$IUPAC: InChI=1S/C24H32N6O5S/c1-7-11(4)17-24-27-15(9-36-24)20(32)25-12(5)22-30-18(13(6)35-22)21(33)28-16(10(2)3)23-26-14(8-34-23)19(31)29-17/h8-13,16-18H,7H2,1-6H3,(H,25,32)(H,28,33)(H,29,31)/t11-,12-,13+,16-,17+,18-/m0/s1
+CH$LINK: PUBCHEM CID:25156431
+CH$LINK: INCHIKEY MQIAICAGVFTAAN-ZIYJYRAWSA-N
+CH$LINK: CHEMSPIDER 24636795
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-545
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.200 min
+MS$FOCUSED_ION: BASE_PEAK 517.2229
+MS$FOCUSED_ION: PRECURSOR_M/Z 517.2228
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 41922236.48
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-014i-0000090000-0d5fd604aeef513fb810
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  84.0444 C4H6NO+ 1 84.0444 -0.26
+  434.1855 C20H28N5O4S+ 2 434.1857 -0.39
+  489.2279 C23H33N6O4S+ 1 489.2279 0.13
+  517.2227 C24H33N6O5S+ 1 517.2228 -0.17
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  84.0444 256599.1 17
+  434.1855 204177.6 13
+  489.2279 185081.4 12
+  517.2227 14976298 999
+//
diff --git a/Eawag/MSBNK-MLU-ED146902.txt b/Eawag/MSBNK-MLU-ED146902.txt
new file mode 100644
index 0000000000..faad3c1c9d
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED146902.txt
@@ -0,0 +1,67 @@
+ACCESSION: MSBNK-MLU-ED146902
+RECORD_TITLE: Aerucyclamide C; LC-ESI-QFT; MS2; CE: 20%; R=17500; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Enke [dtc], H. Enke [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1469
+CH$NAME: Aerucyclamide C
+CH$NAME: (4S,7R,8S,11S,18R)-18-[(2S)-butan-2-yl]-4,7-dimethyl-11-propan-2-yl-6,13-dioxa-20-thia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.15,8.112,15]tetracosa-1(21),5(24),12(23),14,19(22)-pentaene-2,9,16-trione
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C24H32N6O5S
+CH$EXACT_MASS: 516.2154891
+CH$SMILES: CC[C@H](C)[C@@H]1C2=NC(=CS2)C(=O)N[C@H](C3=N[C@@H]([C@H](O3)C)C(=O)N[C@H](C4=NC(=CO4)C(=O)N1)C(C)C)C
+CH$IUPAC: InChI=1S/C24H32N6O5S/c1-7-11(4)17-24-27-15(9-36-24)20(32)25-12(5)22-30-18(13(6)35-22)21(33)28-16(10(2)3)23-26-14(8-34-23)19(31)29-17/h8-13,16-18H,7H2,1-6H3,(H,25,32)(H,28,33)(H,29,31)/t11-,12-,13+,16-,17+,18-/m0/s1
+CH$LINK: PUBCHEM CID:25156431
+CH$LINK: INCHIKEY MQIAICAGVFTAAN-ZIYJYRAWSA-N
+CH$LINK: CHEMSPIDER 24636795
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-545
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.200 min
+MS$FOCUSED_ION: BASE_PEAK 517.2229
+MS$FOCUSED_ION: PRECURSOR_M/Z 517.2228
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 41922236.48
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-014i-0010190000-87864265ea0f25907bf9
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  84.0444 C4H6NO+ 1 84.0444 0.19
+  197.0745 C9H13N2OS+ 1 197.0743 0.77
+  223.0898 C11H15N2OS+ 1 223.09 -0.74
+  251.0848 C12H15N2O2S+ 2 251.0849 -0.12
+  267.1459 C14H21NO4+ 2 267.1465 -2.38
+  351.1488 C16H23N4O3S+ 4 351.1485 0.64
+  406.1906 C19H28N5O3S+ 3 406.1907 -0.29
+  434.1856 C20H28N5O4S+ 2 434.1857 -0.18
+  473.1974 C22H29N6O4S+ 2 473.1966 1.84
+  489.2279 C23H33N6O4S+ 1 489.2279 0
+  499.2123 C24H31N6O4S+ 1 499.2122 0.12
+  517.2227 C24H33N6O5S+ 1 517.2228 -0.17
+PK$NUM_PEAK: 12
+PK$PEAK: m/z int. rel.int.
+  84.0444 1268996.6 107
+  197.0745 155827.6 13
+  223.0898 1286745.5 108
+  251.0848 819745.8 69
+  267.1459 169186.4 14
+  351.1488 121661 10
+  406.1906 528208 44
+  434.1856 414902.4 35
+  473.1974 196060.5 16
+  489.2279 514844.7 43
+  499.2123 395968.9 33
+  517.2227 11826084 999
+//
diff --git a/Eawag/MSBNK-MLU-ED146903.txt b/Eawag/MSBNK-MLU-ED146903.txt
new file mode 100644
index 0000000000..49c0835d64
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED146903.txt
@@ -0,0 +1,91 @@
+ACCESSION: MSBNK-MLU-ED146903
+RECORD_TITLE: Aerucyclamide C; LC-ESI-QFT; MS2; CE: 25%; R=17500; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Enke [dtc], H. Enke [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1469
+CH$NAME: Aerucyclamide C
+CH$NAME: (4S,7R,8S,11S,18R)-18-[(2S)-butan-2-yl]-4,7-dimethyl-11-propan-2-yl-6,13-dioxa-20-thia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.15,8.112,15]tetracosa-1(21),5(24),12(23),14,19(22)-pentaene-2,9,16-trione
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C24H32N6O5S
+CH$EXACT_MASS: 516.2154891
+CH$SMILES: CC[C@H](C)[C@@H]1C2=NC(=CS2)C(=O)N[C@H](C3=N[C@@H]([C@H](O3)C)C(=O)N[C@H](C4=NC(=CO4)C(=O)N1)C(C)C)C
+CH$IUPAC: InChI=1S/C24H32N6O5S/c1-7-11(4)17-24-27-15(9-36-24)20(32)25-12(5)22-30-18(13(6)35-22)21(33)28-16(10(2)3)23-26-14(8-34-23)19(31)29-17/h8-13,16-18H,7H2,1-6H3,(H,25,32)(H,28,33)(H,29,31)/t11-,12-,13+,16-,17+,18-/m0/s1
+CH$LINK: PUBCHEM CID:25156431
+CH$LINK: INCHIKEY MQIAICAGVFTAAN-ZIYJYRAWSA-N
+CH$LINK: CHEMSPIDER 24636795
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-545
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.200 min
+MS$FOCUSED_ION: BASE_PEAK 517.2229
+MS$FOCUSED_ION: PRECURSOR_M/Z 517.2228
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 41922236.48
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-01c0-3291360000-210e5a9c03528fa75e0e
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  82.065 C5H8N+ 1 82.0651 -2.08
+  84.0444 C4H6NO+ 1 84.0444 -0.08
+  110.0601 C6H8NO+ 1 110.06 0.39
+  167.0815 C8H11N2O2+ 3 167.0815 0.04
+  184.1081 C8H14N3O2+ 3 184.1081 0.02
+  197.0742 C9H13N2OS+ 1 197.0743 -0.63
+  198.0583 C9H12NO2S+ 1 198.0583 -0.34
+  210.1235 C10H16N3O2+ 3 210.1237 -0.89
+  223.0899 C11H15N2OS+ 1 223.09 -0.46
+  224.1036 C10H14N3O3+ 2 224.103 2.93
+  251.0848 C12H15N2O2S+ 3 251.0849 -0.42
+  262.1007 C13H16N3OS+ 2 262.1009 -0.64
+  267.146 C14H21NO4+ 2 267.1465 -1.81
+  316.1118 C24H14N+ 3 316.1121 -0.84
+  333.1375 C16H21N4O2S+ 3 333.138 -1.3
+  351.1488 C16H23N4O3S+ 4 351.1485 0.64
+  363.1491 C17H23N4O3S+ 3 363.1485 1.54
+  389.1643 C21H27NO4S+ 2 389.1655 -3.11
+  405.1949 C20H29N4O3S+ 2 405.1955 -1.39
+  406.1906 C19H28N5O3S+ 3 406.1907 -0.29
+  446.1854 C21H28N5O4S+ 2 446.1857 -0.65
+  489.2268 C23H33N6O4S+ 1 489.2279 -2.12
+  499.212 C24H31N6O4S+ 1 499.2122 -0.49
+  517.2224 C24H33N6O5S+ 1 517.2228 -0.64
+PK$NUM_PEAK: 24
+PK$PEAK: m/z int. rel.int.
+  82.065 45718.5 16
+  84.0444 1647270.1 582
+  110.0601 192451.8 68
+  167.0815 181903.6 64
+  184.1081 38709 13
+  197.0742 327224.6 115
+  198.0583 344913.1 121
+  210.1235 194918.8 68
+  223.0899 2689533.8 950
+  224.1036 67238.3 23
+  251.0848 844080.3 298
+  262.1007 57003.4 20
+  267.146 94351.2 33
+  316.1118 33351.9 11
+  333.1375 88632.7 31
+  351.1488 120305.9 42
+  363.1491 164582.4 58
+  389.1643 126706.8 44
+  405.1949 96697.3 34
+  406.1906 672605.8 237
+  446.1854 110003.4 38
+  489.2268 299439.5 105
+  499.212 345687.9 122
+  517.2224 2825908.5 999
+//
diff --git a/Eawag/MSBNK-MLU-ED146904.txt b/Eawag/MSBNK-MLU-ED146904.txt
new file mode 100644
index 0000000000..0a194c298b
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED146904.txt
@@ -0,0 +1,103 @@
+ACCESSION: MSBNK-MLU-ED146904
+RECORD_TITLE: Aerucyclamide C; LC-ESI-QFT; MS2; CE: 30%; R=17500; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Enke [dtc], H. Enke [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1469
+CH$NAME: Aerucyclamide C
+CH$NAME: (4S,7R,8S,11S,18R)-18-[(2S)-butan-2-yl]-4,7-dimethyl-11-propan-2-yl-6,13-dioxa-20-thia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.15,8.112,15]tetracosa-1(21),5(24),12(23),14,19(22)-pentaene-2,9,16-trione
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C24H32N6O5S
+CH$EXACT_MASS: 516.2154891
+CH$SMILES: CC[C@H](C)[C@@H]1C2=NC(=CS2)C(=O)N[C@H](C3=N[C@@H]([C@H](O3)C)C(=O)N[C@H](C4=NC(=CO4)C(=O)N1)C(C)C)C
+CH$IUPAC: InChI=1S/C24H32N6O5S/c1-7-11(4)17-24-27-15(9-36-24)20(32)25-12(5)22-30-18(13(6)35-22)21(33)28-16(10(2)3)23-26-14(8-34-23)19(31)29-17/h8-13,16-18H,7H2,1-6H3,(H,25,32)(H,28,33)(H,29,31)/t11-,12-,13+,16-,17+,18-/m0/s1
+CH$LINK: PUBCHEM CID:25156431
+CH$LINK: INCHIKEY MQIAICAGVFTAAN-ZIYJYRAWSA-N
+CH$LINK: CHEMSPIDER 24636795
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-545
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.200 min
+MS$FOCUSED_ION: BASE_PEAK 517.2229
+MS$FOCUSED_ION: PRECURSOR_M/Z 517.2228
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 41922236.48
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00di-3590210000-92ee9a00397963ccd051
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  56.0497 C3H6N+ 1 56.0495 4.3
+  72.0808 C4H10N+ 1 72.0808 0.17
+  82.0651 C5H8N+ 1 82.0651 -0.22
+  84.0444 C4H6NO+ 1 84.0444 0.38
+  98.0964 C6H12N+ 1 98.0964 -0.01
+  110.0601 C6H8NO+ 1 110.06 0.19
+  155.0271 C6H7N2OS+ 1 155.0274 -1.74
+  167.0815 C8H11N2O2+ 3 167.0815 0.04
+  168.0653 C8H10NO3+ 2 168.0655 -1.25
+  180.0455 C7H8N4S+ 2 180.0464 -4.93
+  184.1078 C8H14N3O2+ 3 184.1081 -1.15
+  197.0743 C9H13N2OS+ 1 197.0743 0.07
+  198.0583 C9H12NO2S+ 1 198.0583 -0.34
+  210.1238 C10H16N3O2+ 3 210.1237 0.27
+  223.0899 C11H15N2OS+ 1 223.09 -0.33
+  251.0849 C12H15N2O2S+ 2 251.0849 0.19
+  262.1008 C13H16N3OS+ 3 262.1009 -0.41
+  316.1123 C24H14N+ 3 316.1121 0.71
+  333.1382 C16H21N4O2S+ 3 333.138 0.53
+  363.1489 C17H23N4O3S+ 3 363.1485 1.04
+  364.1318 C23H16N4O+ 4 364.1319 -0.27
+  389.1675 C21H27NO4S+ 4 389.1655 4.97
+  405.195 C20H29N4O3S+ 2 405.1955 -1.09
+  406.1906 C19H28N5O3S+ 3 406.1907 -0.36
+  432.1626 C24H24N4O2S+ 1 432.1614 2.58
+  434.1852 C20H28N5O4S+ 2 434.1857 -1.02
+  446.186 C21H28N5O4S+ 2 446.1857 0.86
+  489.2272 C23H33N6O4S+ 1 489.2279 -1.31
+  499.2122 C24H31N6O4S+ 1 499.2122 -0.06
+  517.2224 C24H33N6O5S+ 1 517.2228 -0.76
+PK$NUM_PEAK: 30
+PK$PEAK: m/z int. rel.int.
+  56.0497 158251.2 24
+  72.0808 79493.6 12
+  82.0651 97013.7 14
+  84.0444 2947099.8 454
+  98.0964 112714.5 17
+  110.0601 492487.7 75
+  155.0271 79701.1 12
+  167.0815 621684.5 95
+  168.0653 192669.9 29
+  180.0455 142797.8 22
+  184.1078 90279.3 13
+  197.0743 931566.5 143
+  198.0583 2047504.6 315
+  210.1238 406530.2 62
+  223.0899 6481640 999
+  251.0849 978647.7 150
+  262.1008 121107.8 18
+  316.1123 79763.4 12
+  333.1382 162102.9 24
+  363.1489 182982.7 28
+  364.1318 125492.7 19
+  389.1675 151675.1 23
+  405.195 133381.1 20
+  406.1906 823388.9 126
+  432.1626 209712.9 32
+  434.1852 68131.3 10
+  446.186 203685.5 31
+  489.2272 207155 31
+  499.2122 386754.4 59
+  517.2224 982932.1 151
+//
diff --git a/Eawag/MSBNK-MLU-ED146905.txt b/Eawag/MSBNK-MLU-ED146905.txt
new file mode 100644
index 0000000000..d32e7363dd
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED146905.txt
@@ -0,0 +1,81 @@
+ACCESSION: MSBNK-MLU-ED146905
+RECORD_TITLE: Aerucyclamide C; LC-ESI-QFT; MS2; CE: 40%; R=17500; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Enke [dtc], H. Enke [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1469
+CH$NAME: Aerucyclamide C
+CH$NAME: (4S,7R,8S,11S,18R)-18-[(2S)-butan-2-yl]-4,7-dimethyl-11-propan-2-yl-6,13-dioxa-20-thia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.15,8.112,15]tetracosa-1(21),5(24),12(23),14,19(22)-pentaene-2,9,16-trione
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C24H32N6O5S
+CH$EXACT_MASS: 516.2154891
+CH$SMILES: CC[C@H](C)[C@@H]1C2=NC(=CS2)C(=O)N[C@H](C3=N[C@@H]([C@H](O3)C)C(=O)N[C@H](C4=NC(=CO4)C(=O)N1)C(C)C)C
+CH$IUPAC: InChI=1S/C24H32N6O5S/c1-7-11(4)17-24-27-15(9-36-24)20(32)25-12(5)22-30-18(13(6)35-22)21(33)28-16(10(2)3)23-26-14(8-34-23)19(31)29-17/h8-13,16-18H,7H2,1-6H3,(H,25,32)(H,28,33)(H,29,31)/t11-,12-,13+,16-,17+,18-/m0/s1
+CH$LINK: PUBCHEM CID:25156431
+CH$LINK: INCHIKEY MQIAICAGVFTAAN-ZIYJYRAWSA-N
+CH$LINK: CHEMSPIDER 24636795
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-545
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.200 min
+MS$FOCUSED_ION: BASE_PEAK 517.2229
+MS$FOCUSED_ION: PRECURSOR_M/Z 517.2228
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 41922236.48
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0002-2930000000-15cccf58e434c135380c
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  56.0497 C3H6N+ 1 56.0495 4.44
+  72.0808 C4H10N+ 1 72.0808 0.17
+  82.0652 C5H8N+ 1 82.0651 0.43
+  84.0444 C4H6NO+ 1 84.0444 0.19
+  98.0964 C6H12N+ 1 98.0964 -0.08
+  110.06 C6H8NO+ 1 110.06 -0.23
+  152.0528 C8H10NS+ 1 152.0528 -0.08
+  155.0273 C6H7N2OS+ 1 155.0274 -0.27
+  167.0814 C8H11N2O2+ 3 167.0815 -0.69
+  168.0655 C8H10NO3+ 2 168.0655 -0.34
+  197.0743 C9H13N2OS+ 1 197.0743 0.07
+  198.0583 C9H12NO2S+ 1 198.0583 -0.34
+  210.1237 C10H16N3O2+ 3 210.1237 -0.16
+  223.0899 C11H15N2OS+ 1 223.09 -0.33
+  251.085 C12H15N2O2S+ 2 251.0849 0.55
+  262.1004 C13H16N3OS+ 2 262.1009 -1.81
+  301.1003 C16H17N2O2S+ 3 301.1005 -0.72
+  364.1317 C23H16N4O+ 4 364.1319 -0.36
+  406.1903 C19H28N5O3S+ 3 406.1907 -0.96
+PK$NUM_PEAK: 19
+PK$PEAK: m/z int. rel.int.
+  56.0497 185855.1 31
+  72.0808 141907.1 24
+  82.0652 130603.6 22
+  84.0444 1995014.5 339
+  98.0964 167994.8 28
+  110.06 460645 78
+  152.0528 68703.2 11
+  155.0273 85203.2 14
+  167.0814 661312.4 112
+  168.0655 624027.7 106
+  197.0743 587377.4 99
+  198.0583 5871691.5 999
+  210.1237 161567.8 27
+  223.0899 3221318.8 548
+  251.085 73592.8 12
+  262.1004 78736.2 13
+  301.1003 106007.2 18
+  364.1317 78714.9 13
+  406.1903 80904.6 13
+//
diff --git a/Eawag/MSBNK-MLU-ED146906.txt b/Eawag/MSBNK-MLU-ED146906.txt
new file mode 100644
index 0000000000..c41ce7fc5f
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED146906.txt
@@ -0,0 +1,79 @@
+ACCESSION: MSBNK-MLU-ED146906
+RECORD_TITLE: Aerucyclamide C; LC-ESI-QFT; MS2; CE: 50%; R=17500; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Enke [dtc], H. Enke [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1469
+CH$NAME: Aerucyclamide C
+CH$NAME: (4S,7R,8S,11S,18R)-18-[(2S)-butan-2-yl]-4,7-dimethyl-11-propan-2-yl-6,13-dioxa-20-thia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.15,8.112,15]tetracosa-1(21),5(24),12(23),14,19(22)-pentaene-2,9,16-trione
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C24H32N6O5S
+CH$EXACT_MASS: 516.2154891
+CH$SMILES: CC[C@H](C)[C@@H]1C2=NC(=CS2)C(=O)N[C@H](C3=N[C@@H]([C@H](O3)C)C(=O)N[C@H](C4=NC(=CO4)C(=O)N1)C(C)C)C
+CH$IUPAC: InChI=1S/C24H32N6O5S/c1-7-11(4)17-24-27-15(9-36-24)20(32)25-12(5)22-30-18(13(6)35-22)21(33)28-16(10(2)3)23-26-14(8-34-23)19(31)29-17/h8-13,16-18H,7H2,1-6H3,(H,25,32)(H,28,33)(H,29,31)/t11-,12-,13+,16-,17+,18-/m0/s1
+CH$LINK: PUBCHEM CID:25156431
+CH$LINK: INCHIKEY MQIAICAGVFTAAN-ZIYJYRAWSA-N
+CH$LINK: CHEMSPIDER 24636795
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-545
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.200 min
+MS$FOCUSED_ION: BASE_PEAK 517.2229
+MS$FOCUSED_ION: PRECURSOR_M/Z 517.2228
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 41922236.48
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0002-1900000000-0cfd6533b96a3e106036
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  56.0498 C3H6N+ 1 56.0495 4.98
+  69.0699 C5H9+ 1 69.0699 -0.08
+  72.0809 C4H10N+ 1 72.0808 1.76
+  82.0651 C5H8N+ 1 82.0651 -0.22
+  84.0444 C4H6NO+ 1 84.0444 0.1
+  98.0964 C6H12N+ 1 98.0964 -0.47
+  110.06 C6H8NO+ 1 110.06 -0.02
+  129.9957 C4H4NO2S+ 1 129.9957 0.04
+  152.0527 C8H10NS+ 1 152.0528 -0.99
+  155.0272 C6H7N2OS+ 1 155.0274 -1.25
+  167.0814 C8H11N2O2+ 3 167.0815 -0.33
+  168.0654 C8H10NO3+ 2 168.0655 -0.52
+  179.0641 C9H11N2S+ 2 179.0637 2.22
+  180.0466 C7H8N4S+ 1 180.0464 1.17
+  197.0744 C9H13N2OS+ 1 197.0743 0.61
+  198.0582 C9H12NO2S+ 1 198.0583 -0.49
+  223.0899 C11H15N2OS+ 1 223.09 -0.33
+  301.1002 C16H17N2O2S+ 3 301.1005 -1.23
+PK$NUM_PEAK: 18
+PK$PEAK: m/z int. rel.int.
+  56.0498 283726.3 27
+  69.0699 203500.4 19
+  72.0809 184510.9 18
+  82.0651 148524.2 14
+  84.0444 1798065.9 176
+  98.0964 149346.6 14
+  110.06 420213.1 41
+  129.9957 103113.6 10
+  152.0527 244716 23
+  155.0272 116291.4 11
+  167.0814 553889.3 54
+  168.0654 1296276.5 126
+  179.0641 118535.3 11
+  180.0466 123214.9 12
+  197.0744 182895.3 17
+  198.0582 10196985 999
+  223.0899 1174491.1 115
+  301.1002 133225.6 13
+//
diff --git a/Eawag/MSBNK-MLU-ED146907.txt b/Eawag/MSBNK-MLU-ED146907.txt
new file mode 100644
index 0000000000..2e9ca32811
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED146907.txt
@@ -0,0 +1,77 @@
+ACCESSION: MSBNK-MLU-ED146907
+RECORD_TITLE: Aerucyclamide C; LC-ESI-QFT; MS2; CE: 60%; R=17500; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Enke [dtc], H. Enke [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1469
+CH$NAME: Aerucyclamide C
+CH$NAME: (4S,7R,8S,11S,18R)-18-[(2S)-butan-2-yl]-4,7-dimethyl-11-propan-2-yl-6,13-dioxa-20-thia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.15,8.112,15]tetracosa-1(21),5(24),12(23),14,19(22)-pentaene-2,9,16-trione
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C24H32N6O5S
+CH$EXACT_MASS: 516.2154891
+CH$SMILES: CC[C@H](C)[C@@H]1C2=NC(=CS2)C(=O)N[C@H](C3=N[C@@H]([C@H](O3)C)C(=O)N[C@H](C4=NC(=CO4)C(=O)N1)C(C)C)C
+CH$IUPAC: InChI=1S/C24H32N6O5S/c1-7-11(4)17-24-27-15(9-36-24)20(32)25-12(5)22-30-18(13(6)35-22)21(33)28-16(10(2)3)23-26-14(8-34-23)19(31)29-17/h8-13,16-18H,7H2,1-6H3,(H,25,32)(H,28,33)(H,29,31)/t11-,12-,13+,16-,17+,18-/m0/s1
+CH$LINK: PUBCHEM CID:25156431
+CH$LINK: INCHIKEY MQIAICAGVFTAAN-ZIYJYRAWSA-N
+CH$LINK: CHEMSPIDER 24636795
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-545
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.200 min
+MS$FOCUSED_ION: BASE_PEAK 517.2229
+MS$FOCUSED_ION: PRECURSOR_M/Z 517.2228
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 41922236.48
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0002-1900000000-70bba698ba5aea1cf033
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  56.0497 C3H6N+ 1 56.0495 4.44
+  69.07 C5H9+ 1 69.0699 1.24
+  72.0809 C4H10N+ 1 72.0808 2.08
+  84.0444 C4H6NO+ 1 84.0444 0.56
+  91.0541 C7H7+ 1 91.0542 -1.01
+  94.0652 C6H8N+ 1 94.0651 0.91
+  98.0965 C6H12N+ 1 98.0964 0.69
+  110.06 C6H8NO+ 1 110.06 -0.16
+  122.06 C7H8NO+ 1 122.06 -0.05
+  125.0419 C7H9S+ 1 125.0419 -0.43
+  129.9957 C4H4NO2S+ 1 129.9957 0.16
+  152.0527 C8H10NS+ 1 152.0528 -0.79
+  167.0814 C8H11N2O2+ 3 167.0815 -0.33
+  168.0654 C8H10NO3+ 2 168.0655 -0.52
+  179.0636 C9H11N2S+ 1 179.0637 -0.67
+  198.0583 C9H12NO2S+ 1 198.0583 -0.18
+  223.0898 C11H15N2OS+ 1 223.09 -0.74
+PK$NUM_PEAK: 17
+PK$PEAK: m/z int. rel.int.
+  56.0497 249434.7 35
+  69.07 438547.1 62
+  72.0809 123518.9 17
+  84.0444 953017.6 135
+  91.0541 79206.4 11
+  94.0652 127198 18
+  98.0965 100408.8 14
+  110.06 231896.8 33
+  122.06 110660.8 15
+  125.0419 218011.8 31
+  129.9957 126874.9 18
+  152.0527 344689.9 49
+  167.0814 251142.6 35
+  168.0654 1108459 157
+  179.0636 117569.7 16
+  198.0583 7012603.5 999
+  223.0898 131239.5 18
+//
diff --git a/Eawag/MSBNK-MLU-ED146908.txt b/Eawag/MSBNK-MLU-ED146908.txt
new file mode 100644
index 0000000000..90e143ba51
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED146908.txt
@@ -0,0 +1,117 @@
+ACCESSION: MSBNK-MLU-ED146908
+RECORD_TITLE: Aerucyclamide C; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Enke [dtc], H. Enke [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1469
+CH$NAME: Aerucyclamide C
+CH$NAME: (4S,7R,8S,11S,18R)-18-[(2S)-butan-2-yl]-4,7-dimethyl-11-propan-2-yl-6,13-dioxa-20-thia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.15,8.112,15]tetracosa-1(21),5(24),12(23),14,19(22)-pentaene-2,9,16-trione
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C24H32N6O5S
+CH$EXACT_MASS: 516.2154891
+CH$SMILES: CC[C@H](C)[C@@H]1C2=NC(=CS2)C(=O)N[C@H](C3=N[C@@H]([C@H](O3)C)C(=O)N[C@H](C4=NC(=CO4)C(=O)N1)C(C)C)C
+CH$IUPAC: InChI=1S/C24H32N6O5S/c1-7-11(4)17-24-27-15(9-36-24)20(32)25-12(5)22-30-18(13(6)35-22)21(33)28-16(10(2)3)23-26-14(8-34-23)19(31)29-17/h8-13,16-18H,7H2,1-6H3,(H,25,32)(H,28,33)(H,29,31)/t11-,12-,13+,16-,17+,18-/m0/s1
+CH$LINK: PUBCHEM CID:25156431
+CH$LINK: INCHIKEY MQIAICAGVFTAAN-ZIYJYRAWSA-N
+CH$LINK: CHEMSPIDER 24636795
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-545
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.200 min
+MS$FOCUSED_ION: BASE_PEAK 517.2229
+MS$FOCUSED_ION: PRECURSOR_M/Z 517.2228
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 41922236.48
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0002-3900000000-e55d97782d8421cc9748
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  55.0544 C4H7+ 1 55.0542 3.63
+  56.0497 C3H6N+ 1 56.0495 4.37
+  56.9794 C2HS+ 1 56.9793 0.7
+  67.0543 C5H7+ 1 67.0542 1.83
+  69.07 C5H9+ 1 69.0699 1.69
+  72.0809 C4H10N+ 1 72.0808 1.34
+  79.0542 C6H7+ 1 79.0542 0.08
+  81.07 C6H9+ 1 81.0699 1.76
+  84.0444 C4H6NO+ 1 84.0444 0.38
+  84.9742 C3HOS+ 1 84.9743 -1.05
+  91.0542 C7H7+ 1 91.0542 0.25
+  94.0651 C6H8N+ 1 94.0651 0.1
+  94.0776 C7H10+ 1 94.0777 -0.74
+  95.0491 C6H7O+ 1 95.0491 -0.71
+  96.008 C4H2NO2+ 1 96.008 0.04
+  97.0108 C5H5S+ 1 97.0106 1.94
+  98.06 C5H8NO+ 1 98.06 -0.39
+  98.0963 C6H12N+ 1 98.0964 -1.33
+  108.0808 C7H10N+ 1 108.0808 -0.04
+  110.0601 C6H8NO+ 1 110.06 0.46
+  111.0264 C6H7S+ 1 111.0263 0.66
+  111.9853 C4H2NOS+ 1 111.9852 1.54
+  114.0185 C4H4NO3+ 1 114.0186 -0.71
+  118.0652 C8H8N+ 1 118.0651 0.63
+  119.0729 C8H9N+ 1 119.073 -0.43
+  122.06 C7H8NO+ 1 122.06 -0.05
+  125.042 C7H9S+ 1 125.0419 0.18
+  129.9958 C4H4NO2S+ 1 129.9957 0.63
+  137.0292 C7H7NS+ 1 137.0294 -1.35
+  140.0706 C7H10NO2+ 2 140.0706 0.25
+  144.0112 C5H6NO2S+ 1 144.0114 -0.91
+  152.0527 C8H10NS+ 1 152.0528 -0.89
+  167.0815 C8H11N2O2+ 3 167.0815 -0.24
+  168.0654 C8H10NO3+ 2 168.0655 -0.79
+  179.0637 C9H11N2S+ 1 179.0637 -0.25
+  180.0469 C7H8N4S+ 2 180.0464 2.52
+  198.0583 C9H12NO2S+ 1 198.0583 -0.26
+PK$NUM_PEAK: 37
+PK$PEAK: m/z int. rel.int.
+  55.0544 162548 27
+  56.0497 373103.8 62
+  56.9794 72501.1 12
+  67.0543 109300.4 18
+  69.07 1073927.9 178
+  72.0809 118118.5 19
+  79.0542 93047.1 15
+  81.07 66975.8 11
+  84.0444 978414.7 162
+  84.9742 61213 10
+  91.0542 201933.8 33
+  94.0651 306778.8 51
+  94.0776 63695.4 10
+  95.0491 60951.3 10
+  96.008 93670.1 15
+  97.0108 72222.5 12
+  98.06 61166.8 10
+  98.0963 60592.3 10
+  108.0808 87158.3 14
+  110.0601 200965.1 33
+  111.0264 70956.3 11
+  111.9853 77609.5 12
+  114.0185 92729.1 15
+  118.0652 121160.4 20
+  119.0729 98888.1 16
+  122.06 219823.1 36
+  125.042 582144.2 96
+  129.9958 210843.6 35
+  137.0292 182343.6 30
+  140.0706 65481.3 10
+  144.0112 63399.9 10
+  152.0527 519000.7 86
+  167.0815 161860 26
+  168.0654 1151112.2 191
+  179.0637 74474.6 12
+  180.0469 100522.4 16
+  198.0583 5996869 999
+//
diff --git a/Eawag/MSBNK-MLU-ED146909.txt b/Eawag/MSBNK-MLU-ED146909.txt
new file mode 100644
index 0000000000..052e18f93b
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED146909.txt
@@ -0,0 +1,115 @@
+ACCESSION: MSBNK-MLU-ED146909
+RECORD_TITLE: Aerucyclamide C; LC-ESI-QFT; MS2; CE: 80%; R=17500; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Enke [dtc], H. Enke [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 1469
+CH$NAME: Aerucyclamide C
+CH$NAME: (4S,7R,8S,11S,18R)-18-[(2S)-butan-2-yl]-4,7-dimethyl-11-propan-2-yl-6,13-dioxa-20-thia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.15,8.112,15]tetracosa-1(21),5(24),12(23),14,19(22)-pentaene-2,9,16-trione
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C24H32N6O5S
+CH$EXACT_MASS: 516.2154891
+CH$SMILES: CC[C@H](C)[C@@H]1C2=NC(=CS2)C(=O)N[C@H](C3=N[C@@H]([C@H](O3)C)C(=O)N[C@H](C4=NC(=CO4)C(=O)N1)C(C)C)C
+CH$IUPAC: InChI=1S/C24H32N6O5S/c1-7-11(4)17-24-27-15(9-36-24)20(32)25-12(5)22-30-18(13(6)35-22)21(33)28-16(10(2)3)23-26-14(8-34-23)19(31)29-17/h8-13,16-18H,7H2,1-6H3,(H,25,32)(H,28,33)(H,29,31)/t11-,12-,13+,16-,17+,18-/m0/s1
+CH$LINK: PUBCHEM CID:25156431
+CH$LINK: INCHIKEY MQIAICAGVFTAAN-ZIYJYRAWSA-N
+CH$LINK: CHEMSPIDER 24636795
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-545
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.200 min
+MS$FOCUSED_ION: BASE_PEAK 517.2229
+MS$FOCUSED_ION: PRECURSOR_M/Z 517.2228
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 41922236.48
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00kb-6900000000-7f45614738e3e42885f8
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  55.0545 C4H7+ 1 55.0542 4.39
+  56.0497 C3H6N+ 1 56.0495 4.71
+  56.9795 C2HS+ 1 56.9793 2.44
+  67.0543 C5H7+ 1 67.0542 1.83
+  69.07 C5H9+ 1 69.0699 1.8
+  72.0808 C4H10N+ 1 72.0808 0.17
+  79.0543 C6H7+ 1 79.0542 1.24
+  81.0697 C6H9+ 1 81.0699 -2.01
+  82.065 C5H8N+ 1 82.0651 -1.24
+  84.0444 C4H6NO+ 1 84.0444 0.38
+  84.9742 C3HOS+ 1 84.9743 -0.6
+  91.0543 C7H7+ 1 91.0542 0.33
+  94.0652 C6H8N+ 1 94.0651 0.75
+  94.0776 C7H10+ 1 94.0777 -1.06
+  95.049 C6H7O+ 1 95.0491 -1.03
+  96.008 C4H2NO2+ 1 96.008 -0.52
+  97.0106 C5H5S+ 1 97.0106 -0.1
+  98.0598 C5H8NO+ 1 98.06 -2.1
+  98.0965 C6H12N+ 1 98.0964 0.38
+  108.0808 C7H10N+ 1 108.0808 0.17
+  110.0601 C6H8NO+ 1 110.06 0.95
+  111.0261 C6H7S+ 1 111.0263 -1.34
+  111.9852 C4H2NOS+ 1 111.9852 0.45
+  114.0183 C4H4NO3+ 1 114.0186 -2.18
+  118.0652 C8H8N+ 1 118.0651 0.37
+  119.0729 C8H9N+ 1 119.073 -0.24
+  122.06 C7H8NO+ 1 122.06 -0.68
+  125.0419 C7H9S+ 1 125.0419 -0.74
+  129.9957 C4H4NO2S+ 1 129.9957 -0.07
+  137.0292 C7H7NS+ 1 137.0294 -1.35
+  140.0704 C7H10NO2+ 1 140.0706 -1.82
+  144.0114 C5H6NO2S+ 1 144.0114 -0.06
+  152.0527 C8H10NS+ 1 152.0528 -0.89
+  168.0654 C8H10NO3+ 2 168.0655 -0.7
+  179.0638 C9H11N2S+ 1 179.0637 0.18
+  198.0582 C9H12NO2S+ 1 198.0583 -0.41
+PK$NUM_PEAK: 36
+PK$PEAK: m/z int. rel.int.
+  55.0545 159138.1 63
+  56.0497 258480.3 103
+  56.9795 87518.6 35
+  67.0543 169926.1 68
+  69.07 1328502 534
+  72.0808 83476.8 33
+  79.0543 84267.1 33
+  81.0697 31975.5 12
+  82.065 39257.2 15
+  84.0444 451206.2 181
+  84.9742 82815.6 33
+  91.0543 237481.3 95
+  94.0652 313975.4 126
+  94.0776 45214.6 18
+  95.049 62977.8 25
+  96.008 103447.6 41
+  97.0106 128983.9 51
+  98.0598 51641.6 20
+  98.0965 32682.6 13
+  108.0808 100775.3 40
+  110.0601 116607.7 46
+  111.0261 70904.2 28
+  111.9852 76608.9 30
+  114.0183 90849.6 36
+  118.0652 101069 40
+  119.0729 82851.5 33
+  122.06 224123.6 90
+  125.0419 519550.7 208
+  129.9957 180593.7 72
+  137.0292 147278.2 59
+  140.0704 59773.2 24
+  144.0114 48836.6 19
+  152.0527 287188.2 115
+  168.0654 597153 240
+  179.0638 49759.9 20
+  198.0582 2485337.5 999
+//
diff --git a/Eawag/MSBNK-MLU-ED147201.txt b/Eawag/MSBNK-MLU-ED147201.txt
new file mode 100644
index 0000000000..dcf2dac8bd
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED147201.txt
@@ -0,0 +1,47 @@
+ACCESSION: MSBNK-MLU-ED147201
+RECORD_TITLE: Aerucyclamide B; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+
+DATE: 2024.04.30
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Enke [dtc], H. Enke [dtc], A.  Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1472
+CH$NAME: Aerucyclamide B
+CH$NAME: (12Z,52Z,92Z)-2,6-di-sec-butyl-15-methyl-14,15-dihydro-3,7,11-triaza-1(2,4)-oxazola-5,9(4,2)-dithiazolacyclododecaphane-4,8,12-trione
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C24H32N6O4S2
+CH$EXACT_MASS: 532.1926455
+CH$SMILES: CC[C@H](C)[C@H]1C2=N[C@@H]([C@H](O2)C)C(=O)NCC3=NC(=CS3)C(=O)N[C@@H](C4=NC(=CS4)C(=O)N1)[C@@H](C)CC
+CH$IUPAC: InChI=1S/C24H32N6O4S2/c1-6-11(3)17-23-30-19(13(5)34-23)22(33)25-8-16-26-14(9-35-16)20(31)29-18(12(4)7-2)24-27-15(10-36-24)21(32)28-17/h9-13,17-19H,6-8H2,1-5H3,(H,25,33)(H,28,32)(H,29,31)/t11-,12-,13+,17-,18+,19-/m0/s1
+CH$LINK: PUBCHEM CID:24970831
+CH$LINK: INCHIKEY JFWABYMXSVHLEW-ZUDVWZRRSA-N
+CH$LINK: CHEMSPIDER 23342274
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-560
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.293 min
+MS$FOCUSED_ION: BASE_PEAK 533.2001
+MS$FOCUSED_ION: PRECURSOR_M/Z 533.1999
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 389779008.28
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-001i-0000090000-2a839edaa61dab9c2e24
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  265.1367 C14H21N2OS+ 4 265.1369 -0.65
+  533.2 C24H33N6O4S2+ 1 533.1999 0.2
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  265.1367 2244188 16
+  533.2 135404768 999
+//
diff --git a/Eawag/MSBNK-MLU-ED147202.txt b/Eawag/MSBNK-MLU-ED147202.txt
new file mode 100644
index 0000000000..683eca7423
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED147202.txt
@@ -0,0 +1,61 @@
+ACCESSION: MSBNK-MLU-ED147202
+RECORD_TITLE: Aerucyclamide B; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+
+DATE: 2024.04.30
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Enke [dtc], H. Enke [dtc], A.  Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1472
+CH$NAME: Aerucyclamide B
+CH$NAME: (12Z,52Z,92Z)-2,6-di-sec-butyl-15-methyl-14,15-dihydro-3,7,11-triaza-1(2,4)-oxazola-5,9(4,2)-dithiazolacyclododecaphane-4,8,12-trione
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C24H32N6O4S2
+CH$EXACT_MASS: 532.1926455
+CH$SMILES: CC[C@H](C)[C@H]1C2=N[C@@H]([C@H](O2)C)C(=O)NCC3=NC(=CS3)C(=O)N[C@@H](C4=NC(=CS4)C(=O)N1)[C@@H](C)CC
+CH$IUPAC: InChI=1S/C24H32N6O4S2/c1-6-11(3)17-23-30-19(13(5)34-23)22(33)25-8-16-26-14(9-35-16)20(31)29-18(12(4)7-2)24-27-15(10-36-24)21(32)28-17/h9-13,17-19H,6-8H2,1-5H3,(H,25,33)(H,28,32)(H,29,31)/t11-,12-,13+,17-,18+,19-/m0/s1
+CH$LINK: PUBCHEM CID:24970831
+CH$LINK: INCHIKEY JFWABYMXSVHLEW-ZUDVWZRRSA-N
+CH$LINK: CHEMSPIDER 23342274
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-560
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.293 min
+MS$FOCUSED_ION: BASE_PEAK 533.2001
+MS$FOCUSED_ION: PRECURSOR_M/Z 533.1999
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 389779008.28
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-001i-0010090000-e18f2de45f252b17a1ac
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  84.0444 C4H6NO+ 1 84.0444 0.39
+  197.0742 C9H13N2OS+ 3 197.0743 -0.63
+  265.1368 C14H21N2OS+ 4 265.1369 -0.31
+  422.1679 C19H28N5O2S2+ 4 422.1679 0.06
+  448.1873 C20H28N6O4S+ 2 448.1887 -3.29
+  489.1741 C22H29N6O3S2+ 2 489.1737 0.85
+  505.2054 C23H33N6O3S2+ 1 505.205 0.8
+  515.1893 C24H31N6O3S2+ 1 515.1894 -0.16
+  533.2001 C24H33N6O4S2+ 1 533.1999 0.43
+PK$NUM_PEAK: 9
+PK$PEAK: m/z int. rel.int.
+  84.0444 2156194 20
+  197.0742 3645211.8 33
+  265.1368 19137320 178
+  422.1679 3917434.2 36
+  448.1873 1414239.1 13
+  489.1741 2376115.5 22
+  505.2054 3358617.2 31
+  515.1893 6411473 59
+  533.2001 107155200 999
+//
diff --git a/Eawag/MSBNK-MLU-ED147203.txt b/Eawag/MSBNK-MLU-ED147203.txt
new file mode 100644
index 0000000000..7655fefe38
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED147203.txt
@@ -0,0 +1,81 @@
+ACCESSION: MSBNK-MLU-ED147203
+RECORD_TITLE: Aerucyclamide B; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+
+DATE: 2024.04.30
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Enke [dtc], H. Enke [dtc], A.  Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1472
+CH$NAME: Aerucyclamide B
+CH$NAME: (12Z,52Z,92Z)-2,6-di-sec-butyl-15-methyl-14,15-dihydro-3,7,11-triaza-1(2,4)-oxazola-5,9(4,2)-dithiazolacyclododecaphane-4,8,12-trione
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C24H32N6O4S2
+CH$EXACT_MASS: 532.1926455
+CH$SMILES: CC[C@H](C)[C@H]1C2=N[C@@H]([C@H](O2)C)C(=O)NCC3=NC(=CS3)C(=O)N[C@@H](C4=NC(=CS4)C(=O)N1)[C@@H](C)CC
+CH$IUPAC: InChI=1S/C24H32N6O4S2/c1-6-11(3)17-23-30-19(13(5)34-23)22(33)25-8-16-26-14(9-35-16)20(31)29-18(12(4)7-2)24-27-15(10-36-24)21(32)28-17/h9-13,17-19H,6-8H2,1-5H3,(H,25,33)(H,28,32)(H,29,31)/t11-,12-,13+,17-,18+,19-/m0/s1
+CH$LINK: PUBCHEM CID:24970831
+CH$LINK: INCHIKEY JFWABYMXSVHLEW-ZUDVWZRRSA-N
+CH$LINK: CHEMSPIDER 23342274
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-560
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.293 min
+MS$FOCUSED_ION: BASE_PEAK 533.2001
+MS$FOCUSED_ION: PRECURSOR_M/Z 533.1999
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 389779008.28
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0159-0370290000-618d0395126cded8ad1b
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  84.0445 C4H6NO+ 1 84.0444 1.03
+  152.1069 C9H14NO+ 2 152.107 -0.56
+  184.0538 C7H10N3OS+ 2 184.0539 -0.32
+  197.0743 C9H13N2OS+ 3 197.0743 -0.24
+  198.0582 C9H12NO2S+ 2 198.0583 -0.65
+  225.0438 C16H5N2+ 3 225.0447 -4.18
+  265.1369 C14H21N2OS+ 4 265.1369 -0.19
+  293.1053 C18H15NO3+ 3 293.1046 2.14
+  348.1744 C18H26N3O2S+ 5 348.174 1.02
+  402.1056 C18H20N5O2S2+ 3 402.1053 0.67
+  422.1679 C19H28N5O2S2+ 4 422.1679 -0.01
+  448.1896 C20H28N6O4S+ 1 448.1887 2.03
+  462.162 C21H28N5O3S2+ 2 462.1628 -1.83
+  488.1781 C23H30N5O3S2+ 1 488.1785 -0.75
+  489.1737 C22H29N6O3S2+ 2 489.1737 -0.02
+  505.2044 C23H33N6O3S2+ 1 505.205 -1.13
+  515.1899 C24H31N6O3S2+ 1 515.1894 1.14
+  516.1736 C24H30N5O4S2+ 1 516.1734 0.54
+  533.2003 C24H33N6O4S2+ 1 533.1999 0.66
+PK$NUM_PEAK: 19
+PK$PEAK: m/z int. rel.int.
+  84.0445 5907569 110
+  152.1069 2829109.2 52
+  184.0538 632611.2 11
+  197.0743 19772832 368
+  198.0582 4005353.8 74
+  225.0438 798085.8 14
+  265.1369 53409476 996
+  293.1053 1092938.4 20
+  348.1744 1011391.8 18
+  402.1056 1337057.9 24
+  422.1679 7197052.5 134
+  448.1896 1999555.4 37
+  462.162 1005602 18
+  488.1781 1467609.9 27
+  489.1737 3109247.2 57
+  505.2044 2972923 55
+  515.1899 10828043 201
+  516.1736 884773.4 16
+  533.2003 53554104 999
+//
diff --git a/Eawag/MSBNK-MLU-ED147204.txt b/Eawag/MSBNK-MLU-ED147204.txt
new file mode 100644
index 0000000000..c4cddc1766
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED147204.txt
@@ -0,0 +1,99 @@
+ACCESSION: MSBNK-MLU-ED147204
+RECORD_TITLE: Aerucyclamide B; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+
+DATE: 2024.04.30
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Enke [dtc], H. Enke [dtc], A.  Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1472
+CH$NAME: Aerucyclamide B
+CH$NAME: (12Z,52Z,92Z)-2,6-di-sec-butyl-15-methyl-14,15-dihydro-3,7,11-triaza-1(2,4)-oxazola-5,9(4,2)-dithiazolacyclododecaphane-4,8,12-trione
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C24H32N6O4S2
+CH$EXACT_MASS: 532.1926455
+CH$SMILES: CC[C@H](C)[C@H]1C2=N[C@@H]([C@H](O2)C)C(=O)NCC3=NC(=CS3)C(=O)N[C@@H](C4=NC(=CS4)C(=O)N1)[C@@H](C)CC
+CH$IUPAC: InChI=1S/C24H32N6O4S2/c1-6-11(3)17-23-30-19(13(5)34-23)22(33)25-8-16-26-14(9-35-16)20(31)29-18(12(4)7-2)24-27-15(10-36-24)21(32)28-17/h9-13,17-19H,6-8H2,1-5H3,(H,25,33)(H,28,32)(H,29,31)/t11-,12-,13+,17-,18+,19-/m0/s1
+CH$LINK: PUBCHEM CID:24970831
+CH$LINK: INCHIKEY JFWABYMXSVHLEW-ZUDVWZRRSA-N
+CH$LINK: CHEMSPIDER 23342274
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-560
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.293 min
+MS$FOCUSED_ION: BASE_PEAK 533.2001
+MS$FOCUSED_ION: PRECURSOR_M/Z 533.1999
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 389779008.28
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-014j-1980120000-7825bdaaca12711f750b
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  69.0698 C5H9+ 1 69.0699 -1.43
+  84.0445 C4H6NO+ 1 84.0444 0.75
+  86.0965 C5H12N+ 1 86.0964 1.16
+  129.0116 C4H5N2OS+ 1 129.0117 -0.8
+  141.0112 C5H5N2OS+ 1 141.0117 -3.95
+  152.1068 C9H14NO+ 2 152.107 -0.96
+  158.0382 C5H8N3OS+ 1 158.0383 -0.32
+  180.0457 C7H8N4S+ 2 180.0464 -4.22
+  184.0542 C7H10N3OS+ 2 184.0539 1.33
+  197.0742 C9H13N2OS+ 3 197.0743 -0.47
+  198.0582 C9H12NO2S+ 2 198.0583 -0.8
+  209.0743 C10H13N2OS+ 3 209.0743 -0.25
+  225.0444 C16H5N2+ 4 225.0447 -1.26
+  226.1007 C10H16N3OS+ 3 226.1009 -0.56
+  247.1264 C14H19N2S+ 4 247.1263 0.33
+  263.0846 C13H15N2O2S+ 4 263.0849 -1.13
+  265.1368 C14H21N2OS+ 4 265.1369 -0.54
+  293.1038 C18H15NO3+ 4 293.1046 -2.85
+  422.1682 C19H28N5O2S2+ 3 422.1679 0.64
+  432.1521 C20H26N5O2S2+ 3 432.1522 -0.36
+  462.1626 C21H28N5O3S2+ 2 462.1628 -0.38
+  487.193 C23H31N6O2S2+ 1 487.1944 -2.87
+  488.1791 C23H30N5O3S2+ 1 488.1785 1.25
+  489.1743 C22H29N6O3S2+ 2 489.1737 1.16
+  505.2027 C23H33N6O3S2+ 1 505.205 -4.64
+  515.1893 C24H31N6O3S2+ 1 515.1894 -0.16
+  516.1733 C24H30N5O4S2+ 1 516.1734 -0.06
+  533.2003 C24H33N6O4S2+ 1 533.1999 0.77
+PK$NUM_PEAK: 28
+PK$PEAK: m/z int. rel.int.
+  69.0698 1582119.2 30
+  84.0445 7073452 135
+  86.0965 617657.6 11
+  129.0116 1203683.8 23
+  141.0112 1270489 24
+  152.1068 4048181 77
+  158.0382 1237545.5 23
+  180.0457 1088289.2 20
+  184.0542 1076995.4 20
+  197.0742 41983740 803
+  198.0582 12921597 247
+  209.0743 1172303.9 22
+  225.0444 1187760.6 22
+  226.1007 869205.9 16
+  247.1264 1362173.8 26
+  263.0846 1271269.2 24
+  265.1368 52227044 999
+  293.1038 1221707.5 23
+  422.1682 5019912.5 96
+  432.1521 1317533.6 25
+  462.1626 1293910.9 24
+  487.193 707229.2 13
+  488.1791 740411.9 14
+  489.1743 983256.4 18
+  505.2027 874796.2 16
+  515.1893 6693265 128
+  516.1733 590885.7 11
+  533.2003 10169518 194
+//
diff --git a/Eawag/MSBNK-MLU-ED147205.txt b/Eawag/MSBNK-MLU-ED147205.txt
new file mode 100644
index 0000000000..a5d58de322
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED147205.txt
@@ -0,0 +1,91 @@
+ACCESSION: MSBNK-MLU-ED147205
+RECORD_TITLE: Aerucyclamide B; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+
+DATE: 2024.04.30
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Enke [dtc], H. Enke [dtc], A.  Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1472
+CH$NAME: Aerucyclamide B
+CH$NAME: (12Z,52Z,92Z)-2,6-di-sec-butyl-15-methyl-14,15-dihydro-3,7,11-triaza-1(2,4)-oxazola-5,9(4,2)-dithiazolacyclododecaphane-4,8,12-trione
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C24H32N6O4S2
+CH$EXACT_MASS: 532.1926455
+CH$SMILES: CC[C@H](C)[C@H]1C2=N[C@@H]([C@H](O2)C)C(=O)NCC3=NC(=CS3)C(=O)N[C@@H](C4=NC(=CS4)C(=O)N1)[C@@H](C)CC
+CH$IUPAC: InChI=1S/C24H32N6O4S2/c1-6-11(3)17-23-30-19(13(5)34-23)22(33)25-8-16-26-14(9-35-16)20(31)29-18(12(4)7-2)24-27-15(10-36-24)21(32)28-17/h9-13,17-19H,6-8H2,1-5H3,(H,25,33)(H,28,32)(H,29,31)/t11-,12-,13+,17-,18+,19-/m0/s1
+CH$LINK: PUBCHEM CID:24970831
+CH$LINK: INCHIKEY JFWABYMXSVHLEW-ZUDVWZRRSA-N
+CH$LINK: CHEMSPIDER 23342274
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-560
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.293 min
+MS$FOCUSED_ION: BASE_PEAK 533.2001
+MS$FOCUSED_ION: PRECURSOR_M/Z 533.1999
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 389779008.28
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0002-1910000000-b2e0c6ea29899b436e9c
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  56.0497 C3H6N+ 1 56.0495 4.37
+  69.07 C5H9+ 1 69.0699 1.45
+  84.0445 C4H6NO+ 1 84.0444 1.03
+  86.0964 C5H12N+ 1 86.0964 -0.43
+  96.0444 C5H6NO+ 1 96.0444 -0.18
+  129.0118 C4H5N2OS+ 1 129.0117 0.5
+  141.0117 C5H5N2OS+ 1 141.0117 -0.16
+  152.1068 C9H14NO+ 2 152.107 -1.16
+  158.0383 C5H8N3OS+ 1 158.0383 0.45
+  179.0637 C9H11N2S+ 3 179.0637 -0.13
+  180.0465 C7H8N4S+ 2 180.0464 0.19
+  184.0537 C7H10N3OS+ 2 184.0539 -0.99
+  185.0378 C7H9N2O2S+ 2 185.0379 -0.68
+  197.0743 C9H13N2OS+ 3 197.0743 -0.16
+  198.0582 C9H12NO2S+ 2 198.0583 -0.5
+  209.0742 C10H13N2OS+ 3 209.0743 -0.39
+  225.0452 C16H5N2+ 2 225.0447 2.33
+  226.1007 C10H16N3OS+ 3 226.1009 -0.5
+  247.1262 C14H19N2S+ 3 247.1263 -0.6
+  263.0849 C13H15N2O2S+ 3 263.0849 0.15
+  265.1368 C14H21N2OS+ 4 265.1369 -0.42
+  402.105 C18H20N5O2S2+ 3 402.1053 -0.7
+  432.1501 C20H26N5O2S2+ 2 432.1522 -4.95
+  515.1895 C24H31N6O3S2+ 1 515.1894 0.19
+PK$NUM_PEAK: 24
+PK$PEAK: m/z int. rel.int.
+  56.0497 1100185.2 16
+  69.07 5671663 85
+  84.0445 7787002 117
+  86.0964 755152.2 11
+  96.0444 893639.5 13
+  129.0118 3307731.8 49
+  141.0117 4484380.5 67
+  152.1068 4341943 65
+  158.0383 2041488.2 30
+  179.0637 1689212.4 25
+  180.0465 1440046.6 21
+  184.0537 1788259.1 26
+  185.0378 1796007.8 26
+  197.0743 51963372 781
+  198.0582 66461332 999
+  209.0742 2306719.2 34
+  225.0452 954755.1 14
+  226.1007 828416.4 12
+  247.1262 3638913.2 54
+  263.0849 1285870.5 19
+  265.1368 16100185 242
+  402.105 1495858.2 22
+  432.1501 673599.2 10
+  515.1895 1185469.9 17
+//
diff --git a/Eawag/MSBNK-MLU-ED147206.txt b/Eawag/MSBNK-MLU-ED147206.txt
new file mode 100644
index 0000000000..20a74385a7
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED147206.txt
@@ -0,0 +1,81 @@
+ACCESSION: MSBNK-MLU-ED147206
+RECORD_TITLE: Aerucyclamide B; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+
+DATE: 2024.04.30
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Enke [dtc], H. Enke [dtc], A.  Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1472
+CH$NAME: Aerucyclamide B
+CH$NAME: (12Z,52Z,92Z)-2,6-di-sec-butyl-15-methyl-14,15-dihydro-3,7,11-triaza-1(2,4)-oxazola-5,9(4,2)-dithiazolacyclododecaphane-4,8,12-trione
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C24H32N6O4S2
+CH$EXACT_MASS: 532.1926455
+CH$SMILES: CC[C@H](C)[C@H]1C2=N[C@@H]([C@H](O2)C)C(=O)NCC3=NC(=CS3)C(=O)N[C@@H](C4=NC(=CS4)C(=O)N1)[C@@H](C)CC
+CH$IUPAC: InChI=1S/C24H32N6O4S2/c1-6-11(3)17-23-30-19(13(5)34-23)22(33)25-8-16-26-14(9-35-16)20(31)29-18(12(4)7-2)24-27-15(10-36-24)21(32)28-17/h9-13,17-19H,6-8H2,1-5H3,(H,25,33)(H,28,32)(H,29,31)/t11-,12-,13+,17-,18+,19-/m0/s1
+CH$LINK: PUBCHEM CID:24970831
+CH$LINK: INCHIKEY JFWABYMXSVHLEW-ZUDVWZRRSA-N
+CH$LINK: CHEMSPIDER 23342274
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-560
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.293 min
+MS$FOCUSED_ION: BASE_PEAK 533.2001
+MS$FOCUSED_ION: PRECURSOR_M/Z 533.1999
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 389779008.28
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0002-0900000000-994ea0590d8954a61c6b
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  69.07 C5H9+ 1 69.0699 1.78
+  84.0444 C4H6NO+ 1 84.0444 0.66
+  96.0444 C5H6NO+ 1 96.0444 0.14
+  125.0421 C7H9S+ 1 125.0419 0.82
+  129.0117 C4H5N2OS+ 1 129.0117 -0.33
+  129.9957 C4H4NO2S+ 1 129.9957 -0.33
+  141.0117 C5H5N2OS+ 1 141.0117 -0.16
+  152.0527 C8H10NS+ 2 152.0528 -1.12
+  152.1068 C9H14NO+ 2 152.107 -1.56
+  158.0385 C5H8N3OS+ 1 158.0383 1.71
+  159.0222 C5H7N2O2S+ 2 159.0223 -0.54
+  179.0637 C9H11N2S+ 3 179.0637 -0.48
+  180.0469 CH14N3O3S2+ 3 180.0471 -1.28
+  185.0018 C6H5N2O3S+ 2 185.0015 1.68
+  185.0379 C7H9N2O2S+ 2 185.0379 0.07
+  197.0743 C9H13N2OS+ 3 197.0743 -0.16
+  198.0582 C9H12NO2S+ 2 198.0583 -0.5
+  209.0742 C10H13N2OS+ 3 209.0743 -0.54
+  247.1264 C14H19N2S+ 4 247.1263 0.02
+PK$NUM_PEAK: 19
+PK$PEAK: m/z int. rel.int.
+  69.07 6709359.5 81
+  84.0444 5440361.5 65
+  96.0444 948124.9 11
+  125.0421 1027015.2 12
+  129.0117 1884954.6 22
+  129.9957 1113695 13
+  141.0117 5956313 72
+  152.0527 2250404.8 27
+  152.1068 1727370.9 20
+  158.0385 943555.4 11
+  159.0222 921319.2 11
+  179.0637 1827796.4 22
+  180.0469 1085830.8 13
+  185.0018 1295379.9 15
+  185.0379 1899027.4 22
+  197.0743 14307150 173
+  198.0582 82507496 999
+  209.0742 1060849 12
+  247.1264 2437375.2 29
+//
diff --git a/Eawag/MSBNK-MLU-ED147207.txt b/Eawag/MSBNK-MLU-ED147207.txt
new file mode 100644
index 0000000000..5718e7961e
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED147207.txt
@@ -0,0 +1,83 @@
+ACCESSION: MSBNK-MLU-ED147207
+RECORD_TITLE: Aerucyclamide B; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+
+DATE: 2024.04.30
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Enke [dtc], H. Enke [dtc], A.  Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1472
+CH$NAME: Aerucyclamide B
+CH$NAME: (12Z,52Z,92Z)-2,6-di-sec-butyl-15-methyl-14,15-dihydro-3,7,11-triaza-1(2,4)-oxazola-5,9(4,2)-dithiazolacyclododecaphane-4,8,12-trione
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C24H32N6O4S2
+CH$EXACT_MASS: 532.1926455
+CH$SMILES: CC[C@H](C)[C@H]1C2=N[C@@H]([C@H](O2)C)C(=O)NCC3=NC(=CS3)C(=O)N[C@@H](C4=NC(=CS4)C(=O)N1)[C@@H](C)CC
+CH$IUPAC: InChI=1S/C24H32N6O4S2/c1-6-11(3)17-23-30-19(13(5)34-23)22(33)25-8-16-26-14(9-35-16)20(31)29-18(12(4)7-2)24-27-15(10-36-24)21(32)28-17/h9-13,17-19H,6-8H2,1-5H3,(H,25,33)(H,28,32)(H,29,31)/t11-,12-,13+,17-,18+,19-/m0/s1
+CH$LINK: PUBCHEM CID:24970831
+CH$LINK: INCHIKEY JFWABYMXSVHLEW-ZUDVWZRRSA-N
+CH$LINK: CHEMSPIDER 23342274
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-560
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.293 min
+MS$FOCUSED_ION: BASE_PEAK 533.2001
+MS$FOCUSED_ION: PRECURSOR_M/Z 533.1999
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 389779008.28
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0002-1900000000-2e1f6f63abf72c8209ed
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  56.0497 C3H6N+ 1 56.0495 4.44
+  69.07 C5H9+ 1 69.0699 2.11
+  84.0444 C4H6NO+ 1 84.0444 0.66
+  96.0446 C5H6NO+ 1 96.0444 1.96
+  98.006 C4H4NS+ 1 98.0059 1.3
+  99.9851 C3H2NOS+ 1 99.9852 -0.37
+  111.9851 C4H2NOS+ 1 111.9852 -0.11
+  125.042 C7H9S+ 1 125.0419 0.33
+  129.0117 C4H5N2OS+ 1 129.0117 -0.21
+  129.9958 C4H4NO2S+ 1 129.9957 0.72
+  141.0117 C5H5N2OS+ 1 141.0117 -0.27
+  144.0111 C5H6NO2S+ 1 144.0114 -2.16
+  152.0528 C8H10NS+ 2 152.0528 -0.52
+  159.0223 C5H7N2O2S+ 2 159.0223 0.03
+  179.0638 C9H11N2S+ 3 179.0637 0.38
+  180.047 CH14N3O3S2+ 3 180.0471 -0.6
+  185.0015 C6H5N2O3S+ 2 185.0015 0.03
+  185.0375 C7H9N2O2S+ 1 185.0379 -2.16
+  197.0741 C9H13N2OS+ 3 197.0743 -1.09
+  198.0582 C9H12NO2S+ 2 198.0583 -0.57
+PK$NUM_PEAK: 20
+PK$PEAK: m/z int. rel.int.
+  56.0497 1895422.6 23
+  69.07 9654576 118
+  84.0444 5063151.5 62
+  96.0446 1276022.1 15
+  98.006 883035.3 10
+  99.9851 1358901.4 16
+  111.9851 1403823.5 17
+  125.042 3424058.5 42
+  129.0117 1342276.1 16
+  129.9958 2177819.8 26
+  141.0117 5890233 72
+  144.0111 1382940.1 16
+  152.0528 3932745.2 48
+  159.0223 1453118.9 17
+  179.0638 1728253.6 21
+  180.047 906361.6 11
+  185.0015 2031624 24
+  185.0375 2031476.1 24
+  197.0741 2592016.8 31
+  198.0582 81332328 999
+//
diff --git a/Eawag/MSBNK-MLU-ED147208.txt b/Eawag/MSBNK-MLU-ED147208.txt
new file mode 100644
index 0000000000..8ad50c023e
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED147208.txt
@@ -0,0 +1,107 @@
+ACCESSION: MSBNK-MLU-ED147208
+RECORD_TITLE: Aerucyclamide B; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+
+DATE: 2024.04.30
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Enke [dtc], H. Enke [dtc], A.  Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1472
+CH$NAME: Aerucyclamide B
+CH$NAME: (12Z,52Z,92Z)-2,6-di-sec-butyl-15-methyl-14,15-dihydro-3,7,11-triaza-1(2,4)-oxazola-5,9(4,2)-dithiazolacyclododecaphane-4,8,12-trione
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C24H32N6O4S2
+CH$EXACT_MASS: 532.1926455
+CH$SMILES: CC[C@H](C)[C@H]1C2=N[C@@H]([C@H](O2)C)C(=O)NCC3=NC(=CS3)C(=O)N[C@@H](C4=NC(=CS4)C(=O)N1)[C@@H](C)CC
+CH$IUPAC: InChI=1S/C24H32N6O4S2/c1-6-11(3)17-23-30-19(13(5)34-23)22(33)25-8-16-26-14(9-35-16)20(31)29-18(12(4)7-2)24-27-15(10-36-24)21(32)28-17/h9-13,17-19H,6-8H2,1-5H3,(H,25,33)(H,28,32)(H,29,31)/t11-,12-,13+,17-,18+,19-/m0/s1
+CH$LINK: PUBCHEM CID:24970831
+CH$LINK: INCHIKEY JFWABYMXSVHLEW-ZUDVWZRRSA-N
+CH$LINK: CHEMSPIDER 23342274
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-560
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.293 min
+MS$FOCUSED_ION: BASE_PEAK 533.2001
+MS$FOCUSED_ION: PRECURSOR_M/Z 533.1999
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 389779008.28
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0002-2900000000-92ce926461cfa99f41af
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  56.9795 C2HS+ 1 56.9793 2.95
+  67.0544 C5H7+ 1 67.0542 2.09
+  69.07 C5H9+ 1 69.0699 2.22
+  79.0544 C6H7+ 1 79.0542 2.3
+  84.0445 C4H6NO+ 1 84.0444 1.03
+  84.9743 C3HOS+ 1 84.9743 0.37
+  94.0651 C6H8N+ 1 94.0651 0.05
+  97.0108 C5H5S+ 1 97.0106 1.51
+  99.9852 C3H2NOS+ 1 99.9852 0.32
+  108.0808 C7H10N+ 1 108.0808 0.65
+  110.06 C6H8NO+ 1 110.06 -0.43
+  111.0267 C6H7S+ 1 111.0263 3.23
+  111.9852 C4H2NOS+ 1 111.9852 0.1
+  119.073 C8H9N+ 1 119.073 0.01
+  123.0138 C6H5NS+ 1 123.0137 0.49
+  124.0217 C6H6NS+ 2 124.0215 1.56
+  125.042 C7H9S+ 1 125.0419 0.4
+  129.0117 C4H5N2OS+ 1 129.0117 -0.21
+  136.0218 C7H6NS+ 2 136.0215 2.12
+  137.0295 C7H7NS+ 2 137.0294 0.65
+  141.0117 C5H5N2OS+ 1 141.0117 0.05
+  143.0036 C5H5NO2S+ 1 143.0036 0.39
+  144.0114 C5H6NO2S+ 1 144.0114 -0.04
+  150.0374 C8H8NS+ 2 150.0372 1.56
+  152.0527 C8H10NS+ 2 152.0528 -0.72
+  156.0113 C6H6NO2S+ 1 156.0114 -0.67
+  159.0224 C5H7N2O2S+ 2 159.0223 0.61
+  179.0637 C9H11N2S+ 3 179.0637 -0.31
+  180.0466 C7H8N4S+ 2 180.0464 1.12
+  185.0016 C6H5N2O3S+ 2 185.0015 0.36
+  185.0378 C7H9N2O2S+ 2 185.0379 -0.84
+  198.0582 C9H12NO2S+ 2 198.0583 -0.5
+PK$NUM_PEAK: 32
+PK$PEAK: m/z int. rel.int.
+  56.9795 652036.2 11
+  67.0544 589133.3 10
+  69.07 16737084 301
+  79.0544 1092900.5 19
+  84.0445 4260958.5 76
+  84.9743 651425.2 11
+  94.0651 735620.6 13
+  97.0108 1014493.4 18
+  99.9852 2324125 41
+  108.0808 1142352.4 20
+  110.06 678225.5 12
+  111.0267 757036.6 13
+  111.9852 2089121.1 37
+  119.073 1279745.5 23
+  123.0138 622292 11
+  124.0217 817829 14
+  125.042 6980632 125
+  129.0117 720406.1 12
+  136.0218 677241.9 12
+  137.0295 2114813.2 38
+  141.0117 4432393 79
+  143.0036 578093.6 10
+  144.0114 2148930 38
+  150.0374 939129.2 16
+  152.0527 5128982.5 92
+  156.0113 638534.6 11
+  159.0224 1645948.4 29
+  179.0637 1472983.1 26
+  180.0466 754797.2 13
+  185.0016 3052266.5 55
+  185.0378 1855648 33
+  198.0582 55421896 999
+//
diff --git a/Eawag/MSBNK-MLU-ED147209.txt b/Eawag/MSBNK-MLU-ED147209.txt
new file mode 100644
index 0000000000..3294f9939b
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED147209.txt
@@ -0,0 +1,115 @@
+ACCESSION: MSBNK-MLU-ED147209
+RECORD_TITLE: Aerucyclamide B; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M+H]+
+DATE: 2024.04.30
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], D. Enke [dtc], H. Enke [dtc], A.  Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 1472
+CH$NAME: Aerucyclamide B
+CH$NAME: (12Z,52Z,92Z)-2,6-di-sec-butyl-15-methyl-14,15-dihydro-3,7,11-triaza-1(2,4)-oxazola-5,9(4,2)-dithiazolacyclododecaphane-4,8,12-trione
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C24H32N6O4S2
+CH$EXACT_MASS: 532.1926455
+CH$SMILES: CC[C@H](C)[C@H]1C2=N[C@@H]([C@H](O2)C)C(=O)NCC3=NC(=CS3)C(=O)N[C@@H](C4=NC(=CS4)C(=O)N1)[C@@H](C)CC
+CH$IUPAC: InChI=1S/C24H32N6O4S2/c1-6-11(3)17-23-30-19(13(5)34-23)22(33)25-8-16-26-14(9-35-16)20(31)29-18(12(4)7-2)24-27-15(10-36-24)21(32)28-17/h9-13,17-19H,6-8H2,1-5H3,(H,25,33)(H,28,32)(H,29,31)/t11-,12-,13+,17-,18+,19-/m0/s1
+CH$LINK: PUBCHEM CID:24970831
+CH$LINK: INCHIKEY JFWABYMXSVHLEW-ZUDVWZRRSA-N
+CH$LINK: CHEMSPIDER 23342274
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-560
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.293 min
+MS$FOCUSED_ION: BASE_PEAK 533.2001
+MS$FOCUSED_ION: PRECURSOR_M/Z 533.1999
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 389779008.28
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00kb-5900000000-ee01483004767f94a1e4
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  56.9796 C2HS+ 1 56.9793 3.89
+  58.9952 C2H3S+ 1 58.995 3.62
+  67.0543 C5H7+ 1 67.0542 0.49
+  69.07 C5H9+ 1 69.0699 2.22
+  71.9903 C2H2NS+ 1 71.9902 0.6
+  79.0542 C6H7+ 1 79.0542 0.08
+  84.0444 C4H6NO+ 1 84.0444 0.48
+  84.9743 C3HOS+ 1 84.9743 0.1
+  91.0543 C7H7+ 1 91.0542 0.44
+  94.0652 C6H8N+ 1 94.0651 1.1
+  96.0445 C5H6NO+ 1 96.0444 0.69
+  97.0106 C5H5S+ 1 97.0106 -0.3
+  98.0059 C4H4NS+ 1 98.0059 0.13
+  99.9852 C3H2NOS+ 1 99.9852 0.32
+  108.0809 C7H10N+ 1 108.0808 0.72
+  110.0603 C6H8NO+ 2 110.06 2
+  111.0265 C6H7S+ 1 111.0263 1.65
+  111.9852 C4H2NOS+ 1 111.9852 0.44
+  118.0652 C8H8N+ 2 118.0651 0.88
+  119.0729 C8H9N+ 1 119.073 -0.12
+  124.0215 C6H6NS+ 1 124.0215 -0.04
+  125.042 C7H9S+ 1 125.0419 0.33
+  129.0118 C4H5N2OS+ 1 129.0117 0.98
+  129.9958 C4H4NO2S+ 1 129.9957 0.61
+  136.0213 C7H6NS+ 1 136.0215 -1.81
+  137.0169 C6H5N2S+ 2 137.0168 1
+  137.0294 C7H7NS+ 2 137.0294 0.43
+  141.0116 C5H5N2OS+ 1 141.0117 -0.6
+  144.0112 C5H6NO2S+ 1 144.0114 -0.89
+  150.037 C8H8NS+ 2 150.0372 -1.59
+  152.0529 C8H10NS+ 3 152.0528 0.28
+  156.0113 C6H6NO2S+ 1 156.0114 -0.18
+  159.0223 C5H7N2O2S+ 2 159.0223 -0.06
+  179.0639 C9H11N2S+ 3 179.0637 0.8
+  185.0015 C6H5N2O3S+ 2 185.0015 -0.22
+  198.0582 C9H12NO2S+ 2 198.0583 -0.42
+PK$NUM_PEAK: 36
+PK$PEAK: m/z int. rel.int.
+  56.9796 1523238.9 52
+  58.9952 910760.3 31
+  67.0543 911846.2 31
+  69.07 18526028 635
+  71.9903 1737472.4 59
+  79.0542 1359081.1 46
+  84.0444 2899498 99
+  84.9743 1401701.2 48
+  91.0543 3538476 121
+  94.0652 926825.1 31
+  96.0445 1335011.9 45
+  97.0106 1909314.4 65
+  98.0059 1503973.5 51
+  99.9852 2146478.8 73
+  108.0809 1460622.1 50
+  110.0603 446384.5 15
+  111.0265 895983.2 30
+  111.9852 1876438.2 64
+  118.0652 2042769.1 70
+  119.0729 1275690.8 43
+  124.0215 965232.9 33
+  125.042 7136023.5 244
+  129.0118 344937.9 11
+  129.9958 3930656.2 134
+  136.0213 1067842.4 36
+  137.0169 787991.4 27
+  137.0294 2163617 74
+  141.0116 2486258.8 85
+  144.0112 1959445.2 67
+  150.037 698750.9 23
+  152.0529 3392973.5 116
+  156.0113 664108.8 22
+  159.0223 917508.3 31
+  179.0639 616705 21
+  185.0015 2605923.2 89
+  198.0582 29134376 999
+//
diff --git a/Eawag/MSBNK-MLU-ED227301.txt b/Eawag/MSBNK-MLU-ED227301.txt
new file mode 100644
index 0000000000..3c9b83666c
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED227301.txt
@@ -0,0 +1,72 @@
+ACCESSION: MSBNK-MLU-ED227301
+RECORD_TITLE: Rivulariapeptolide 1185; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], W. H. Gerwick [dtc], R. Reher [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2273
+CH$NAME: Rivulariapeptolide 1185
+CH$NAME: [(2R,3S)-4-[[(2S,5S,8S,11R,12S,18S,21R)-2-benzyl-21-hydroxy-5-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-15-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-3-[[(2S)-1-butanoylpyrrolidine-2-carbonyl]amino]-4-oxobutan-2-yl] (2S)-1-butanoylpyrrolidine-2-carboxylate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C61H87N9O15
+CH$EXACT_MASS: 1185.632163
+CH$SMILES: CCCC(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)OC(=O)[C@@H]2CCCN2C(=O)CCC)C(=O)N[C@H]3[C@H](OC(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](N4[C@@H](CC[C@@H](C4=O)NC(=O)C(NC3=O)CC(C)C)O)CC5=CC=CC=C5)C)CC6=CC=C(C=C6)O)C(C)C)C
+CH$IUPAC: InChI=1S/C61H87N9O15/c1-10-17-47(72)68-29-15-21-43(68)54(76)65-52(36(7)84-60(82)44-22-16-30-69(44)48(73)18-11-2)57(79)66-51-37(8)85-61(83)50(35(5)6)64-55(77)45(32-39-23-25-40(71)26-24-39)67(9)59(81)46(33-38-19-13-12-14-20-38)70-49(74)28-27-41(58(70)80)62-53(75)42(31-34(3)4)63-56(51)78/h12-14,19-20,23-26,34-37,41-46,49-52,71,74H,10-11,15-18,21-22,27-33H2,1-9H3,(H,62,75)(H,63,78)(H,64,77)(H,65,76)(H,66,79)/t36-,37-,41+,42?,43+,44+,45+,46+,49-,50+,51+,52+/m1/s1
+CH$LINK: PUBCHEM CID:164887590
+CH$LINK: INCHIKEY MLONDHJIZVGDPO-FGPZQASWSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 82-1230
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.940 min
+MS$FOCUSED_ION: BASE_PEAK 1168.6291
+MS$FOCUSED_ION: PRECURSOR_M/Z 1186.6394
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 265979870.38
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0159-0900103200-30127d0b00d802ae3447
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  168.1014 C9H14NO2+ 2 168.1019 -3.14
+  223.1437 C12H19N2O2+ 2 223.1441 -1.6
+  251.1386 C13H19N2O3+ 3 251.139 -1.56
+  334.1767 C4H32NO15+ 7 334.1766 0.18
+  408.2497 C7H36N8O11+ 7 408.2498 -0.3
+  420.1919 C24H26N3O4+ 8 420.1918 0.31
+  447.2608 C9H37N9O11+ 9 447.2607 0.29
+  519.2812 C26H39N4O7+ 9 519.2813 -0.24
+  632.3654 C32H50N5O8+ 10 632.3654 0.09
+  715.3813 C39H51N6O7+ 12 715.3814 -0.14
+  733.392 C39H53N6O8+ 12 733.3919 0.1
+  983.5236 C52H71N8O11+ 8 983.5237 -0.07
+  1069.561 C56H77N8O13+ 5 1069.5605 0.54
+  1140.6306 C60H86N9O13+ 1 1140.634 -2.98
+  1168.6294 C61H86N9O14+ 1 1168.6289 0.42
+PK$NUM_PEAK: 15
+PK$PEAK: m/z int. rel.int.
+  168.1014 7216462.5 62
+  223.1437 2327907 20
+  251.1386 1751415.1 15
+  334.1767 7123421 61
+  408.2497 4472433.5 38
+  420.1919 7411087.5 64
+  447.2608 2342405.8 20
+  519.2812 10954157 94
+  632.3654 54173788 468
+  715.3813 3627507.2 31
+  733.392 35969272 310
+  983.5236 13663288 118
+  1069.561 2306893 19
+  1140.6306 2076686.8 17
+  1168.6294 115561968 999
+//
diff --git a/Eawag/MSBNK-MLU-ED227302.txt b/Eawag/MSBNK-MLU-ED227302.txt
new file mode 100644
index 0000000000..4578ac26cf
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED227302.txt
@@ -0,0 +1,90 @@
+ACCESSION: MSBNK-MLU-ED227302
+RECORD_TITLE: Rivulariapeptolide 1185; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], W. H. Gerwick [dtc], R. Reher [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2273
+CH$NAME: Rivulariapeptolide 1185
+CH$NAME: [(2R,3S)-4-[[(2S,5S,8S,11R,12S,18S,21R)-2-benzyl-21-hydroxy-5-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-15-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-3-[[(2S)-1-butanoylpyrrolidine-2-carbonyl]amino]-4-oxobutan-2-yl] (2S)-1-butanoylpyrrolidine-2-carboxylate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C61H87N9O15
+CH$EXACT_MASS: 1185.632163
+CH$SMILES: CCCC(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)OC(=O)[C@@H]2CCCN2C(=O)CCC)C(=O)N[C@H]3[C@H](OC(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](N4[C@@H](CC[C@@H](C4=O)NC(=O)C(NC3=O)CC(C)C)O)CC5=CC=CC=C5)C)CC6=CC=C(C=C6)O)C(C)C)C
+CH$IUPAC: InChI=1S/C61H87N9O15/c1-10-17-47(72)68-29-15-21-43(68)54(76)65-52(36(7)84-60(82)44-22-16-30-69(44)48(73)18-11-2)57(79)66-51-37(8)85-61(83)50(35(5)6)64-55(77)45(32-39-23-25-40(71)26-24-39)67(9)59(81)46(33-38-19-13-12-14-20-38)70-49(74)28-27-41(58(70)80)62-53(75)42(31-34(3)4)63-56(51)78/h12-14,19-20,23-26,34-37,41-46,49-52,71,74H,10-11,15-18,21-22,27-33H2,1-9H3,(H,62,75)(H,63,78)(H,64,77)(H,65,76)(H,66,79)/t36-,37-,41+,42?,43+,44+,45+,46+,49-,50+,51+,52+/m1/s1
+CH$LINK: PUBCHEM CID:164887590
+CH$LINK: INCHIKEY MLONDHJIZVGDPO-FGPZQASWSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 82-1230
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.940 min
+MS$FOCUSED_ION: BASE_PEAK 1168.6291
+MS$FOCUSED_ION: PRECURSOR_M/Z 1186.6394
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 265979870.38
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00lr-0625922201-b68a2522a44a3f8d9e52
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  140.1067 C8H14NO+ 1 140.107 -2.32
+  150.0912 C9H12NO+ 1 150.0913 -1.19
+  168.1018 C9H14NO2+ 1 168.1019 -0.87
+  223.1438 C12H19N2O2+ 2 223.1441 -1.54
+  241.1543 C12H21N2O3+ 2 241.1547 -1.63
+  243.1123 C14H15N2O2+ 4 243.1128 -1.95
+  251.1387 C13H19N2O3+ 3 251.139 -1.19
+  334.1768 C4H32NO15+ 7 334.1766 0.55
+  350.2087 C19H24N7+ 7 350.2088 -0.31
+  352.1874 C3H28N8O11+ 6 352.1872 0.44
+  408.2496 C7H36N8O11+ 7 408.2498 -0.45
+  419.265 C22H35N4O4+ 9 419.2653 -0.66
+  420.192 C24H26N3O4+ 8 420.1918 0.45
+  436.2445 C8H36N8O12+ 6 436.2447 -0.58
+  447.2603 C23H35N4O5+ 8 447.2602 0.33
+  488.2546 C29H34N3O4+ 9 488.2544 0.35
+  519.2814 C26H39N4O7+ 8 519.2813 0.11
+  632.3655 C32H50N5O8+ 10 632.3654 0.19
+  715.3816 C39H51N6O7+ 12 715.3814 0.28
+  733.3921 C39H53N6O8+ 12 733.3919 0.19
+  983.5241 C52H71N8O11+ 7 983.5237 0.43
+  1069.5603 C56H77N8O13+ 5 1069.5605 -0.15
+  1140.6342 C60H86N9O13+ 1 1140.634 0.23
+  1168.6302 C61H86N9O14+ 1 1168.6289 1.15
+PK$NUM_PEAK: 24
+PK$PEAK: m/z int. rel.int.
+  140.1067 12620561 214
+  150.0912 5396085.5 91
+  168.1018 37181276 630
+  223.1438 11822012 200
+  241.1543 4542774 77
+  243.1123 3298329.2 55
+  251.1387 7939301 134
+  334.1768 58867676 999
+  350.2087 904053.8 15
+  352.1874 3074100.8 52
+  408.2496 10846914 184
+  419.265 647601.1 10
+  420.192 25926870 439
+  436.2445 53228704 903
+  447.2603 7161805.5 121
+  488.2546 1602864.2 27
+  519.2814 25173306 427
+  632.3655 27296498 463
+  715.3816 11737108 199
+  733.3921 18894002 320
+  983.5241 13562711 230
+  1069.5603 1618470.1 27
+  1140.6342 4239565.5 71
+  1168.6302 8699539 147
+//
diff --git a/Eawag/MSBNK-MLU-ED227303.txt b/Eawag/MSBNK-MLU-ED227303.txt
new file mode 100644
index 0000000000..98099baccc
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED227303.txt
@@ -0,0 +1,100 @@
+ACCESSION: MSBNK-MLU-ED227303
+RECORD_TITLE: Rivulariapeptolide 1185; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], W. H. Gerwick [dtc], R. Reher [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2273
+CH$NAME: Rivulariapeptolide 1185
+CH$NAME: [(2R,3S)-4-[[(2S,5S,8S,11R,12S,18S,21R)-2-benzyl-21-hydroxy-5-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-15-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-3-[[(2S)-1-butanoylpyrrolidine-2-carbonyl]amino]-4-oxobutan-2-yl] (2S)-1-butanoylpyrrolidine-2-carboxylate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C61H87N9O15
+CH$EXACT_MASS: 1185.632163
+CH$SMILES: CCCC(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)OC(=O)[C@@H]2CCCN2C(=O)CCC)C(=O)N[C@H]3[C@H](OC(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](N4[C@@H](CC[C@@H](C4=O)NC(=O)C(NC3=O)CC(C)C)O)CC5=CC=CC=C5)C)CC6=CC=C(C=C6)O)C(C)C)C
+CH$IUPAC: InChI=1S/C61H87N9O15/c1-10-17-47(72)68-29-15-21-43(68)54(76)65-52(36(7)84-60(82)44-22-16-30-69(44)48(73)18-11-2)57(79)66-51-37(8)85-61(83)50(35(5)6)64-55(77)45(32-39-23-25-40(71)26-24-39)67(9)59(81)46(33-38-19-13-12-14-20-38)70-49(74)28-27-41(58(70)80)62-53(75)42(31-34(3)4)63-56(51)78/h12-14,19-20,23-26,34-37,41-46,49-52,71,74H,10-11,15-18,21-22,27-33H2,1-9H3,(H,62,75)(H,63,78)(H,64,77)(H,65,76)(H,66,79)/t36-,37-,41+,42?,43+,44+,45+,46+,49-,50+,51+,52+/m1/s1
+CH$LINK: PUBCHEM CID:164887590
+CH$LINK: INCHIKEY MLONDHJIZVGDPO-FGPZQASWSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 82-1230
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.940 min
+MS$FOCUSED_ION: BASE_PEAK 1168.6291
+MS$FOCUSED_ION: PRECURSOR_M/Z 1186.6394
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 265979870.38
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00lu-0937400000-9b640f4f08d4f31a47ea
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  120.0806 C8H10N+ 1 120.0808 -1.8
+  140.1068 C8H14NO+ 1 140.107 -1.01
+  150.0913 C9H12NO+ 1 150.0913 -0.58
+  168.1018 C9H14NO2+ 1 168.1019 -0.69
+  187.1232 C12H15N2+ 1 187.123 1.18
+  215.1177 C13H15N2O+ 2 215.1179 -0.95
+  223.1438 C12H19N2O2+ 2 223.1441 -1.54
+  241.1542 C12H21N2O3+ 2 241.1547 -1.76
+  243.1124 C14H15N2O2+ 4 243.1128 -1.76
+  251.1386 C13H19N2O3+ 3 251.139 -1.5
+  283.1802 C18H23N2O+ 5 283.1805 -1.13
+  308.1286 C5H20N6O9+ 5 308.1286 -0.17
+  311.1761 C6H31O13+ 5 311.1759 0.5
+  328.2031 C21H28O3+ 5 328.2033 -0.58
+  334.1768 C4H32NO15+ 7 334.1766 0.46
+  350.2087 C19H24N7+ 7 350.2088 -0.31
+  352.1876 C3H28N8O11+ 6 352.1872 1.14
+  356.1978 C22H28O4+ 6 356.1982 -1.06
+  408.2496 C7H36N8O11+ 7 408.2498 -0.6
+  419.2655 C22H35N4O4+ 9 419.2653 0.43
+  420.1919 C24H26N3O4+ 8 420.1918 0.23
+  436.2445 C8H36N8O12+ 6 436.2447 -0.58
+  447.2603 C23H35N4O5+ 8 447.2602 0.19
+  488.2543 C29H34N3O4+ 9 488.2544 -0.22
+  519.2813 C26H39N4O7+ 8 519.2813 -0.01
+  632.3652 C32H50N5O8+ 11 632.3654 -0.3
+  715.3811 C53H49NO+ 12 715.3809 0.31
+  733.3917 C39H53N6O8+ 12 733.3919 -0.31
+  983.5236 C52H71N8O11+ 8 983.5237 -0.13
+PK$NUM_PEAK: 29
+PK$PEAK: m/z int. rel.int.
+  120.0806 1441710.8 16
+  140.1068 31628032 356
+  150.0913 18955584 213
+  168.1018 78868304 889
+  187.1232 1234046.1 13
+  215.1177 4796805 54
+  223.1438 14593142 164
+  241.1542 6383017 71
+  243.1124 14043814 158
+  251.1386 11498750 129
+  283.1802 1344311.6 15
+  308.1286 1706449.2 19
+  311.1761 3232531.5 36
+  328.2031 1245427.5 14
+  334.1768 88606600 999
+  350.2087 1706816.6 19
+  352.1876 4142214.2 46
+  356.1978 2469346.2 27
+  408.2496 7016688 79
+  419.2655 2988128.5 33
+  420.1919 27695762 312
+  436.2445 16813350 189
+  447.2603 5824706 65
+  488.2543 2527112.2 28
+  519.2813 7837339.5 88
+  632.3652 3065747.5 34
+  715.3811 6913072 77
+  733.3917 2856137.2 32
+  983.5236 2711711.2 30
+//
diff --git a/Eawag/MSBNK-MLU-ED227304.txt b/Eawag/MSBNK-MLU-ED227304.txt
new file mode 100644
index 0000000000..6fb7092b2d
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED227304.txt
@@ -0,0 +1,90 @@
+ACCESSION: MSBNK-MLU-ED227304
+RECORD_TITLE: Rivulariapeptolide 1185; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], W. H. Gerwick [dtc], R. Reher [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2273
+CH$NAME: Rivulariapeptolide 1185
+CH$NAME: [(2R,3S)-4-[[(2S,5S,8S,11R,12S,18S,21R)-2-benzyl-21-hydroxy-5-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-15-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-3-[[(2S)-1-butanoylpyrrolidine-2-carbonyl]amino]-4-oxobutan-2-yl] (2S)-1-butanoylpyrrolidine-2-carboxylate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C61H87N9O15
+CH$EXACT_MASS: 1185.632163
+CH$SMILES: CCCC(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)OC(=O)[C@@H]2CCCN2C(=O)CCC)C(=O)N[C@H]3[C@H](OC(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](N4[C@@H](CC[C@@H](C4=O)NC(=O)C(NC3=O)CC(C)C)O)CC5=CC=CC=C5)C)CC6=CC=C(C=C6)O)C(C)C)C
+CH$IUPAC: InChI=1S/C61H87N9O15/c1-10-17-47(72)68-29-15-21-43(68)54(76)65-52(36(7)84-60(82)44-22-16-30-69(44)48(73)18-11-2)57(79)66-51-37(8)85-61(83)50(35(5)6)64-55(77)45(32-39-23-25-40(71)26-24-39)67(9)59(81)46(33-38-19-13-12-14-20-38)70-49(74)28-27-41(58(70)80)62-53(75)42(31-34(3)4)63-56(51)78/h12-14,19-20,23-26,34-37,41-46,49-52,71,74H,10-11,15-18,21-22,27-33H2,1-9H3,(H,62,75)(H,63,78)(H,64,77)(H,65,76)(H,66,79)/t36-,37-,41+,42?,43+,44+,45+,46+,49-,50+,51+,52+/m1/s1
+CH$LINK: PUBCHEM CID:164887590
+CH$LINK: INCHIKEY MLONDHJIZVGDPO-FGPZQASWSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 82-1230
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.940 min
+MS$FOCUSED_ION: BASE_PEAK 1168.6291
+MS$FOCUSED_ION: PRECURSOR_M/Z 1186.6394
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 265979870.38
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-014l-0922100000-5a7543b4e8de9f89feab
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  120.0808 C8H10N+ 1 120.0808 -0.15
+  140.1069 C8H14NO+ 1 140.107 -0.47
+  150.0913 C9H12NO+ 1 150.0913 -0.27
+  168.1019 C9H14NO2+ 1 168.1019 -0.33
+  181.0972 C9H13N2O2+ 1 181.0972 0.04
+  187.1229 C12H15N2+ 1 187.123 -0.29
+  215.1177 C13H15N2O+ 2 215.1179 -0.74
+  223.1438 C12H19N2O2+ 2 223.1441 -1.33
+  241.1542 C12H21N2O3+ 2 241.1547 -2.08
+  243.1124 C14H15N2O2+ 4 243.1128 -1.58
+  251.1387 C13H19N2O3+ 3 251.139 -1.19
+  283.1806 C18H23N2O+ 4 283.1805 0.38
+  295.1655 CH25N7O10+ 5 295.1657 -0.79
+  311.1758 C5H25N7O8+ 5 311.1759 -0.47
+  328.2029 C21H28O3+ 5 328.2033 -1.13
+  334.1768 C4H32NO15+ 7 334.1766 0.55
+  350.2084 C19H24N7+ 7 350.2088 -1.1
+  356.1979 C22H28O4+ 6 356.1982 -0.98
+  408.2497 C7H36N8O11+ 7 408.2498 -0.3
+  419.2655 C22H35N4O4+ 9 419.2653 0.51
+  420.1919 C24H26N3O4+ 8 420.1918 0.38
+  436.2445 C8H36N8O12+ 6 436.2447 -0.58
+  447.2607 C9H37N9O11+ 9 447.2607 0.01
+  715.3808 C53H49NO+ 13 715.3809 -0.12
+PK$NUM_PEAK: 24
+PK$PEAK: m/z int. rel.int.
+  120.0808 5077862 42
+  140.1069 69461824 588
+  150.0913 34093876 288
+  168.1019 117996408 999
+  181.0972 1660968.1 14
+  187.1229 4021728.5 34
+  215.1177 14265920 120
+  223.1438 12648519 107
+  241.1542 3993301 33
+  243.1124 22581516 191
+  251.1387 13594639 115
+  283.1806 4244756 35
+  295.1655 5191081.5 43
+  311.1758 4488608 38
+  328.2029 2712040.8 22
+  334.1768 63124344 534
+  350.2084 1204931.6 10
+  356.1979 2080060.1 17
+  408.2497 2416782.5 20
+  419.2655 4929322.5 41
+  420.1919 14295491 121
+  436.2445 3513784 29
+  447.2607 2086396.5 17
+  715.3808 1764548.9 14
+//
diff --git a/Eawag/MSBNK-MLU-ED227305.txt b/Eawag/MSBNK-MLU-ED227305.txt
new file mode 100644
index 0000000000..939fcb7693
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED227305.txt
@@ -0,0 +1,90 @@
+ACCESSION: MSBNK-MLU-ED227305
+RECORD_TITLE: Rivulariapeptolide 1185; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], W. H. Gerwick [dtc], R. Reher [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2273
+CH$NAME: Rivulariapeptolide 1185
+CH$NAME: [(2R,3S)-4-[[(2S,5S,8S,11R,12S,18S,21R)-2-benzyl-21-hydroxy-5-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-15-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-3-[[(2S)-1-butanoylpyrrolidine-2-carbonyl]amino]-4-oxobutan-2-yl] (2S)-1-butanoylpyrrolidine-2-carboxylate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C61H87N9O15
+CH$EXACT_MASS: 1185.632163
+CH$SMILES: CCCC(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)OC(=O)[C@@H]2CCCN2C(=O)CCC)C(=O)N[C@H]3[C@H](OC(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](N4[C@@H](CC[C@@H](C4=O)NC(=O)C(NC3=O)CC(C)C)O)CC5=CC=CC=C5)C)CC6=CC=C(C=C6)O)C(C)C)C
+CH$IUPAC: InChI=1S/C61H87N9O15/c1-10-17-47(72)68-29-15-21-43(68)54(76)65-52(36(7)84-60(82)44-22-16-30-69(44)48(73)18-11-2)57(79)66-51-37(8)85-61(83)50(35(5)6)64-55(77)45(32-39-23-25-40(71)26-24-39)67(9)59(81)46(33-38-19-13-12-14-20-38)70-49(74)28-27-41(58(70)80)62-53(75)42(31-34(3)4)63-56(51)78/h12-14,19-20,23-26,34-37,41-46,49-52,71,74H,10-11,15-18,21-22,27-33H2,1-9H3,(H,62,75)(H,63,78)(H,64,77)(H,65,76)(H,66,79)/t36-,37-,41+,42?,43+,44+,45+,46+,49-,50+,51+,52+/m1/s1
+CH$LINK: PUBCHEM CID:164887590
+CH$LINK: INCHIKEY MLONDHJIZVGDPO-FGPZQASWSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 82-1230
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.940 min
+MS$FOCUSED_ION: BASE_PEAK 1168.6291
+MS$FOCUSED_ION: PRECURSOR_M/Z 1186.6394
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 265979870.38
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00kf-0910000000-694285c9ce217d9693dd
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  86.0965 C5H12N+ 1 86.0964 0.3
+  91.0541 C7H7+ 1 91.0542 -1.34
+  120.0808 C8H10N+ 1 120.0808 0.36
+  136.0756 C8H10NO+ 1 136.0757 -0.6
+  140.1069 C8H14NO+ 1 140.107 -0.57
+  150.0913 C9H12NO+ 1 150.0913 -0.27
+  153.1022 C8H13N2O+ 1 153.1022 -0.11
+  158.0964 C11H12N+ 1 158.0964 -0.42
+  168.1019 C9H14NO2+ 1 168.1019 -0.33
+  170.0963 C12H12N+ 1 170.0964 -0.85
+  172.112 C12H14N+ 1 172.1121 -0.28
+  181.0971 C9H13N2O2+ 1 181.0972 -0.55
+  181.133 C10H17N2O+ 2 181.1335 -2.78
+  187.1229 C12H15N2+ 1 187.123 -0.45
+  215.1177 C13H15N2O+ 2 215.1179 -0.88
+  223.1438 C12H19N2O2+ 2 223.1441 -1.33
+  243.1124 C14H15N2O2+ 4 243.1128 -1.51
+  251.1387 C13H19N2O3+ 3 251.139 -1.19
+  283.1806 C18H23N2O+ 4 283.1805 0.27
+  295.1656 CH25N7O10+ 6 295.1657 -0.38
+  308.1287 C5H20N6O9+ 5 308.1286 0.33
+  311.1759 C6H31O13+ 5 311.1759 0.1
+  334.1768 C4H32NO15+ 7 334.1766 0.46
+  419.2655 C22H35N4O4+ 9 419.2653 0.51
+PK$NUM_PEAK: 24
+PK$PEAK: m/z int. rel.int.
+  86.0965 2705148.5 22
+  91.0541 2127970.5 17
+  120.0808 25047628 206
+  136.0756 1254071.8 10
+  140.1069 121288216 999
+  150.0913 46533152 383
+  153.1022 1489520.5 12
+  158.0964 5707591.5 47
+  168.1019 66081216 544
+  170.0963 5217397 42
+  172.112 2279347.8 18
+  181.0971 4322006.5 35
+  181.133 1217612.6 10
+  187.1229 9686361 79
+  215.1177 25753220 212
+  223.1438 8401367 69
+  243.1124 9399509 77
+  251.1387 10767549 88
+  283.1806 4048676.2 33
+  295.1656 1551031.6 12
+  308.1287 5129486 42
+  311.1759 2299847.2 18
+  334.1768 11236056 92
+  419.2655 1771985.6 14
+//
diff --git a/Eawag/MSBNK-MLU-ED227306.txt b/Eawag/MSBNK-MLU-ED227306.txt
new file mode 100644
index 0000000000..2a52f13b31
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED227306.txt
@@ -0,0 +1,108 @@
+ACCESSION: MSBNK-MLU-ED227306
+RECORD_TITLE: Rivulariapeptolide 1185; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], W. H. Gerwick [dtc], R. Reher [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2273
+CH$NAME: Rivulariapeptolide 1185
+CH$NAME: [(2R,3S)-4-[[(2S,5S,8S,11R,12S,18S,21R)-2-benzyl-21-hydroxy-5-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-15-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-3-[[(2S)-1-butanoylpyrrolidine-2-carbonyl]amino]-4-oxobutan-2-yl] (2S)-1-butanoylpyrrolidine-2-carboxylate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C61H87N9O15
+CH$EXACT_MASS: 1185.632163
+CH$SMILES: CCCC(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)OC(=O)[C@@H]2CCCN2C(=O)CCC)C(=O)N[C@H]3[C@H](OC(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](N4[C@@H](CC[C@@H](C4=O)NC(=O)C(NC3=O)CC(C)C)O)CC5=CC=CC=C5)C)CC6=CC=C(C=C6)O)C(C)C)C
+CH$IUPAC: InChI=1S/C61H87N9O15/c1-10-17-47(72)68-29-15-21-43(68)54(76)65-52(36(7)84-60(82)44-22-16-30-69(44)48(73)18-11-2)57(79)66-51-37(8)85-61(83)50(35(5)6)64-55(77)45(32-39-23-25-40(71)26-24-39)67(9)59(81)46(33-38-19-13-12-14-20-38)70-49(74)28-27-41(58(70)80)62-53(75)42(31-34(3)4)63-56(51)78/h12-14,19-20,23-26,34-37,41-46,49-52,71,74H,10-11,15-18,21-22,27-33H2,1-9H3,(H,62,75)(H,63,78)(H,64,77)(H,65,76)(H,66,79)/t36-,37-,41+,42?,43+,44+,45+,46+,49-,50+,51+,52+/m1/s1
+CH$LINK: PUBCHEM CID:164887590
+CH$LINK: INCHIKEY MLONDHJIZVGDPO-FGPZQASWSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 82-1230
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.940 min
+MS$FOCUSED_ION: BASE_PEAK 1168.6291
+MS$FOCUSED_ION: PRECURSOR_M/Z 1186.6394
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 265979870.38
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0fdo-0900000000-a5e7c7ed725da8829709
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  84.0443 C4H6NO+ 1 84.0444 -0.61
+  86.0964 C5H12N+ 1 86.0964 0.13
+  91.0542 C7H7+ 1 91.0542 -0.58
+  103.0542 C8H7+ 1 103.0542 0.08
+  105.0696 C8H9+ 1 105.0699 -2.3
+  107.0491 C7H7O+ 1 107.0491 -0.61
+  116.0706 C5H10NO2+ 1 116.0706 -0.34
+  119.0492 C8H7O+ 1 119.0491 0.31
+  120.0808 C8H10N+ 1 120.0808 0.17
+  121.0648 C8H9O+ 1 121.0648 0.05
+  125.1075 C7H13N2+ 1 125.1073 1.17
+  135.0679 C8H9NO+ 1 135.0679 0.06
+  136.0757 C8H10NO+ 1 136.0757 0.41
+  136.1118 C9H14N+ 1 136.1121 -1.78
+  140.1069 C8H14NO+ 1 140.107 -0.79
+  150.0913 C9H12NO+ 1 150.0913 -0.58
+  153.1021 C8H13N2O+ 1 153.1022 -0.61
+  158.0964 C11H12N+ 1 158.0964 -0.42
+  168.1018 C9H14NO2+ 1 168.1019 -0.6
+  170.0963 C12H12N+ 1 170.0964 -0.94
+  172.112 C12H14N+ 1 172.1121 -0.55
+  181.097 C9H13N2O2+ 1 181.0972 -0.63
+  181.1329 C10H17N2O+ 2 181.1335 -3.37
+  187.1229 C12H15N2+ 1 187.123 -0.45
+  195.0762 C9H11N2O3+ 1 195.0764 -1.14
+  198.0913 C13H12NO+ 1 198.0913 -0.23
+  215.1177 C13H15N2O+ 2 215.1179 -1.1
+  223.1437 C12H19N2O2+ 2 223.1441 -1.74
+  251.1386 C13H19N2O3+ 3 251.139 -1.5
+  283.1807 C18H23N2O+ 4 283.1805 0.71
+  308.1285 C5H20N6O9+ 5 308.1286 -0.27
+  311.1757 C5H25N7O8+ 4 311.1759 -0.76
+  334.1769 C4H32NO15+ 7 334.1766 0.64
+PK$NUM_PEAK: 33
+PK$PEAK: m/z int. rel.int.
+  84.0443 812192.1 14
+  86.0964 2294235.8 41
+  91.0542 4861020 88
+  103.0542 935159.6 17
+  105.0696 773199.9 14
+  107.0491 1806097.4 33
+  116.0706 817550 14
+  119.0492 889238.9 16
+  120.0808 32255788 589
+  121.0648 967355.3 17
+  125.1075 561066.5 10
+  135.0679 1324512.2 24
+  136.0757 1869183.2 34
+  136.1118 971909.3 17
+  140.1069 54630088 999
+  150.0913 30923200 565
+  153.1021 1618246 29
+  158.0964 7640796 139
+  168.1018 12278170 224
+  170.0963 7085432.5 129
+  172.112 2319444.2 42
+  181.097 3473580.8 63
+  181.1329 867969.8 15
+  187.1229 5225502.5 95
+  195.0762 734035.9 13
+  198.0913 959500.2 17
+  215.1177 8630055 157
+  223.1437 3619610 66
+  251.1386 3705882.5 67
+  283.1807 571736 10
+  308.1285 1624214.2 29
+  311.1757 1046028 19
+  334.1769 1232686.2 22
+//
diff --git a/Eawag/MSBNK-MLU-ED227307.txt b/Eawag/MSBNK-MLU-ED227307.txt
new file mode 100644
index 0000000000..fa351d11b0
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED227307.txt
@@ -0,0 +1,146 @@
+ACCESSION: MSBNK-MLU-ED227307
+RECORD_TITLE: Rivulariapeptolide 1185; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], W. H. Gerwick [dtc], R. Reher [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2273
+CH$NAME: Rivulariapeptolide 1185
+CH$NAME: [(2R,3S)-4-[[(2S,5S,8S,11R,12S,18S,21R)-2-benzyl-21-hydroxy-5-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-15-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-3-[[(2S)-1-butanoylpyrrolidine-2-carbonyl]amino]-4-oxobutan-2-yl] (2S)-1-butanoylpyrrolidine-2-carboxylate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C61H87N9O15
+CH$EXACT_MASS: 1185.632163
+CH$SMILES: CCCC(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)OC(=O)[C@@H]2CCCN2C(=O)CCC)C(=O)N[C@H]3[C@H](OC(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](N4[C@@H](CC[C@@H](C4=O)NC(=O)C(NC3=O)CC(C)C)O)CC5=CC=CC=C5)C)CC6=CC=C(C=C6)O)C(C)C)C
+CH$IUPAC: InChI=1S/C61H87N9O15/c1-10-17-47(72)68-29-15-21-43(68)54(76)65-52(36(7)84-60(82)44-22-16-30-69(44)48(73)18-11-2)57(79)66-51-37(8)85-61(83)50(35(5)6)64-55(77)45(32-39-23-25-40(71)26-24-39)67(9)59(81)46(33-38-19-13-12-14-20-38)70-49(74)28-27-41(58(70)80)62-53(75)42(31-34(3)4)63-56(51)78/h12-14,19-20,23-26,34-37,41-46,49-52,71,74H,10-11,15-18,21-22,27-33H2,1-9H3,(H,62,75)(H,63,78)(H,64,77)(H,65,76)(H,66,79)/t36-,37-,41+,42?,43+,44+,45+,46+,49-,50+,51+,52+/m1/s1
+CH$LINK: PUBCHEM CID:164887590
+CH$LINK: INCHIKEY MLONDHJIZVGDPO-FGPZQASWSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 82-1230
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.940 min
+MS$FOCUSED_ION: BASE_PEAK 1168.6291
+MS$FOCUSED_ION: PRECURSOR_M/Z 1186.6394
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 265979870.38
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0fkc-1900000000-acdb0a06a9a6f77a1236
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  84.0443 C4H6NO+ 1 84.0444 -0.7
+  86.0964 C5H12N+ 1 86.0964 0.22
+  91.0542 C7H7+ 1 91.0542 0.09
+  93.0699 C7H9+ 1 93.0699 0.56
+  94.0651 C6H8N+ 1 94.0651 0
+  95.0492 C6H7O+ 1 95.0491 1.09
+  95.0606 C5H7N2+ 1 95.0604 2.82
+  96.0443 C5H6NO+ 1 96.0444 -0.59
+  96.0684 C5H8N2+ 1 96.0682 1.89
+  103.0542 C8H7+ 1 103.0542 -0.52
+  105.0699 C8H9+ 1 105.0699 -0.12
+  107.0492 C7H7O+ 1 107.0491 0.81
+  109.0649 C7H9O+ 1 109.0648 0.82
+  112.0392 C5H6NO2+ 1 112.0393 -1.33
+  115.0542 C9H7+ 1 115.0542 -0.33
+  116.0708 C5H10NO2+ 1 116.0706 1.3
+  119.0491 C8H7O+ 1 119.0491 0.05
+  120.0808 C8H10N+ 1 120.0808 0.3
+  121.0284 C7H5O2+ 1 121.0284 -0.38
+  121.0649 C8H9O+ 1 121.0648 0.5
+  124.1122 C8H14N+ 1 124.1121 0.76
+  125.1072 C7H13N2+ 1 125.1073 -0.6
+  130.0651 C9H8N+ 1 130.0651 -0.1
+  132.0807 C9H10N+ 1 132.0808 -0.47
+  134.0604 C8H8NO+ 1 134.06 2.76
+  135.0679 C8H9NO+ 1 135.0679 -0.05
+  136.0757 C8H10NO+ 1 136.0757 -0.15
+  136.112 C9H14N+ 1 136.1121 -0.55
+  138.091 C8H12NO+ 1 138.0913 -2.46
+  139.0868 C7H11N2O+ 1 139.0866 1.2
+  140.1069 C8H14NO+ 1 140.107 -0.47
+  144.0809 C10H10N+ 1 144.0808 0.55
+  146.0966 C10H12N+ 1 146.0964 0.98
+  148.0758 C9H10NO+ 1 148.0757 0.84
+  149.0712 C8H9N2O+ 1 149.0709 1.88
+  150.0913 C9H12NO+ 1 150.0913 -0.27
+  153.0699 C12H9+ 1 153.0699 0.08
+  153.1019 C8H13N2O+ 1 153.1022 -2.11
+  158.0964 C11H12N+ 1 158.0964 -0.03
+  168.0811 C12H10N+ 1 168.0808 1.83
+  168.1018 C9H14NO2+ 1 168.1019 -0.51
+  170.0963 C12H12N+ 1 170.0964 -0.49
+  172.1119 C12H14N+ 1 172.1121 -0.9
+  181.097 C9H13N2O2+ 1 181.0972 -0.8
+  181.1333 C10H17N2O+ 1 181.1335 -1.52
+  187.1229 C12H15N2+ 1 187.123 -0.45
+  195.0762 C9H11N2O3+ 1 195.0764 -1.3
+  198.0918 C13H12NO+ 1 198.0913 2.08
+  215.1178 C13H15N2O+ 2 215.1179 -0.46
+  223.1435 C12H19N2O2+ 2 223.1441 -2.49
+  251.1387 C13H19N2O3+ 3 251.139 -1.26
+  308.1289 C5H20N6O9+ 3 308.1286 0.82
+PK$NUM_PEAK: 52
+PK$PEAK: m/z int. rel.int.
+  84.0443 888768.7 30
+  86.0964 1687340.9 58
+  91.0542 9631306 335
+  93.0699 490890.7 17
+  94.0651 315335.1 10
+  95.0492 306585.8 10
+  95.0606 396954.4 13
+  96.0443 329856.8 11
+  96.0684 384248.5 13
+  103.0542 1898029.9 66
+  105.0699 1635357 57
+  107.0492 3043095.8 106
+  109.0649 447655.2 15
+  112.0392 375782.4 13
+  115.0542 293319.8 10
+  116.0708 677694.7 23
+  119.0491 1479873.8 51
+  120.0808 28656056 999
+  121.0284 905747.7 31
+  121.0649 1547433 53
+  124.1122 436908.7 15
+  125.1072 967815.6 33
+  130.0651 287482.9 10
+  132.0807 567628.6 19
+  134.0604 427734.5 14
+  135.0679 2253366.5 78
+  136.0757 1959977.6 68
+  136.112 666866.1 23
+  138.091 439894 15
+  139.0868 541393.4 18
+  140.1069 17848754 622
+  144.0809 332435.8 11
+  146.0966 326229.5 11
+  148.0758 326591.7 11
+  149.0712 394462.4 13
+  150.0913 22985106 801
+  153.0699 382382.4 13
+  153.1019 1035192.6 36
+  158.0964 6238158 217
+  168.0811 691338.5 24
+  168.1018 4000273 139
+  170.0963 7083704.5 246
+  172.1119 1120478.4 39
+  181.097 1867710.5 65
+  181.1333 351188.6 12
+  187.1229 1740875.1 60
+  195.0762 474377.4 16
+  198.0918 659001.7 22
+  215.1178 1707500.9 59
+  223.1435 1144752 39
+  251.1387 813424.1 28
+  308.1289 395425.3 13
+//
diff --git a/Eawag/MSBNK-MLU-ED227308.txt b/Eawag/MSBNK-MLU-ED227308.txt
new file mode 100644
index 0000000000..5e538177e6
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED227308.txt
@@ -0,0 +1,152 @@
+ACCESSION: MSBNK-MLU-ED227308
+RECORD_TITLE: Rivulariapeptolide 1185; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], W. H. Gerwick [dtc], R. Reher [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2273
+CH$NAME: Rivulariapeptolide 1185
+CH$NAME: [(2R,3S)-4-[[(2S,5S,8S,11R,12S,18S,21R)-2-benzyl-21-hydroxy-5-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-15-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-3-[[(2S)-1-butanoylpyrrolidine-2-carbonyl]amino]-4-oxobutan-2-yl] (2S)-1-butanoylpyrrolidine-2-carboxylate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C61H87N9O15
+CH$EXACT_MASS: 1185.632163
+CH$SMILES: CCCC(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)OC(=O)[C@@H]2CCCN2C(=O)CCC)C(=O)N[C@H]3[C@H](OC(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](N4[C@@H](CC[C@@H](C4=O)NC(=O)C(NC3=O)CC(C)C)O)CC5=CC=CC=C5)C)CC6=CC=C(C=C6)O)C(C)C)C
+CH$IUPAC: InChI=1S/C61H87N9O15/c1-10-17-47(72)68-29-15-21-43(68)54(76)65-52(36(7)84-60(82)44-22-16-30-69(44)48(73)18-11-2)57(79)66-51-37(8)85-61(83)50(35(5)6)64-55(77)45(32-39-23-25-40(71)26-24-39)67(9)59(81)46(33-38-19-13-12-14-20-38)70-49(74)28-27-41(58(70)80)62-53(75)42(31-34(3)4)63-56(51)78/h12-14,19-20,23-26,34-37,41-46,49-52,71,74H,10-11,15-18,21-22,27-33H2,1-9H3,(H,62,75)(H,63,78)(H,64,77)(H,65,76)(H,66,79)/t36-,37-,41+,42?,43+,44+,45+,46+,49-,50+,51+,52+/m1/s1
+CH$LINK: PUBCHEM CID:164887590
+CH$LINK: INCHIKEY MLONDHJIZVGDPO-FGPZQASWSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 82-1230
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.940 min
+MS$FOCUSED_ION: BASE_PEAK 1168.6291
+MS$FOCUSED_ION: PRECURSOR_M/Z 1186.6394
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 265979870.38
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0fkc-2900000000-04065cc8624bc86a5ef6
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  84.0445 C4H6NO+ 1 84.0444 0.84
+  86.0965 C5H12N+ 1 86.0964 0.75
+  91.0542 C7H7+ 1 91.0542 0.09
+  93.0698 C7H9+ 1 93.0699 -0.42
+  94.0652 C6H8N+ 1 94.0651 0.33
+  95.0492 C6H7O+ 1 95.0491 0.6
+  95.0604 C5H7N2+ 1 95.0604 -0.07
+  96.0443 C5H6NO+ 1 96.0444 -1.15
+  96.0681 C5H8N2+ 1 96.0682 -1.12
+  96.0809 C6H10N+ 1 96.0808 0.83
+  98.0964 C6H12N+ 1 98.0964 -0.36
+  103.0543 C8H7+ 1 103.0542 0.3
+  105.0699 C8H9+ 1 105.0699 0.24
+  107.0492 C7H7O+ 1 107.0491 0.24
+  109.0648 C7H9O+ 1 109.0648 0.47
+  109.076 C6H9N2+ 1 109.076 -0.47
+  110.0599 C6H8NO+ 1 110.06 -1.05
+  112.0393 C5H6NO2+ 1 112.0393 0.3
+  115.0542 C9H7+ 1 115.0542 -0.59
+  116.0705 C5H10NO2+ 1 116.0706 -0.8
+  117.0574 C8H7N+ 1 117.0573 1.17
+  118.0653 C8H8N+ 1 118.0651 1.58
+  119.0492 C8H7O+ 1 119.0491 0.69
+  120.0808 C8H10N+ 1 120.0808 0.3
+  121.0284 C7H5O2+ 1 121.0284 -0.07
+  121.0648 C8H9O+ 1 121.0648 0.31
+  125.1073 C7H13N2+ 1 125.1073 -0.11
+  129.0697 C10H9+ 1 129.0699 -1.01
+  130.0653 C9H8N+ 1 130.0651 1.19
+  132.0808 C9H10N+ 1 132.0808 -0.01
+  134.0597 C8H8NO+ 1 134.06 -2.25
+  135.0678 C8H9NO+ 1 135.0679 -0.39
+  136.0757 C8H10NO+ 1 136.0757 -0.15
+  136.1124 C9H14N+ 1 136.1121 2.14
+  138.091 C8H12NO+ 1 138.0913 -2.57
+  139.0864 C7H11N2O+ 1 139.0866 -1.1
+  140.1069 C8H14NO+ 1 140.107 -0.57
+  143.0854 C11H11+ 1 143.0855 -1.08
+  144.0808 C10H10N+ 1 144.0808 0.23
+  146.0962 C10H12N+ 1 146.0964 -1.63
+  148.0757 C9H10NO+ 1 148.0757 -0.19
+  149.071 C8H9N2O+ 1 149.0709 0.55
+  150.0913 C9H12NO+ 1 150.0913 -0.17
+  153.0698 C12H9+ 1 153.0699 -0.62
+  153.1021 C8H13N2O+ 1 153.1022 -1.21
+  158.0964 C11H12N+ 1 158.0964 -0.03
+  167.0822 C8H11N2O2+ 1 167.0815 4.05
+  168.0806 C12H10N+ 1 168.0808 -1.08
+  168.1018 C9H14NO2+ 1 168.1019 -0.87
+  170.0964 C12H12N+ 1 170.0964 -0.22
+  172.112 C12H14N+ 1 172.1121 -0.28
+  181.0973 C9H13N2O2+ 1 181.0972 0.89
+  187.1233 C12H15N2+ 1 187.123 1.83
+  198.0911 C13H12NO+ 1 198.0913 -1.46
+  215.118 C13H15N2O+ 2 215.1179 0.32
+PK$NUM_PEAK: 55
+PK$PEAK: m/z int. rel.int.
+  84.0445 1189689.9 41
+  86.0965 1767902.4 61
+  91.0542 17153342 601
+  93.0698 939773.3 32
+  94.0652 475936.8 16
+  95.0492 684583 23
+  95.0604 738019.1 25
+  96.0443 681705.2 23
+  96.0681 603999.8 21
+  96.0809 330922.8 11
+  98.0964 393837.6 13
+  103.0543 3621222.5 126
+  105.0699 2293134 80
+  107.0492 4827571.5 169
+  109.0648 935373.4 32
+  109.076 381957.3 13
+  110.0599 504774.9 17
+  112.0393 571691.6 20
+  115.0542 662960.1 23
+  116.0705 672278.7 23
+  117.0574 529382.8 18
+  118.0653 504388.6 17
+  119.0492 2116654 74
+  120.0808 28497358 999
+  121.0284 1313723.4 46
+  121.0648 1942717.8 68
+  125.1073 1231762.9 43
+  129.0697 400400.8 14
+  130.0653 557286.9 19
+  132.0808 712251.1 24
+  134.0597 468541.9 16
+  135.0678 4243027 148
+  136.0757 2179790 76
+  136.1124 551680.2 19
+  138.091 324172.8 11
+  139.0864 703976.9 24
+  140.1069 6115603 214
+  143.0854 342896.4 12
+  144.0808 471706 16
+  146.0962 313064 10
+  148.0757 310476.9 10
+  149.071 549594.4 19
+  150.0913 17481494 612
+  153.0698 676640.9 23
+  153.1021 753674.7 26
+  158.0964 4072275.8 142
+  167.0822 382276.8 13
+  168.0806 1221286.1 42
+  168.1018 2316030 81
+  170.0964 7174993 251
+  172.112 506030.3 17
+  181.0973 649392.3 22
+  187.1233 455383.6 15
+  198.0911 549681.9 19
+  215.118 419642 14
+//
diff --git a/Eawag/MSBNK-MLU-ED227309.txt b/Eawag/MSBNK-MLU-ED227309.txt
new file mode 100644
index 0000000000..cc5926f58a
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED227309.txt
@@ -0,0 +1,130 @@
+ACCESSION: MSBNK-MLU-ED227309
+RECORD_TITLE: Rivulariapeptolide 1185; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], W. H. Gerwick [dtc], R. Reher [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2273
+CH$NAME: Rivulariapeptolide 1185
+CH$NAME: [(2R,3S)-4-[[(2S,5S,8S,11R,12S,18S,21R)-2-benzyl-21-hydroxy-5-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-15-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-3-[[(2S)-1-butanoylpyrrolidine-2-carbonyl]amino]-4-oxobutan-2-yl] (2S)-1-butanoylpyrrolidine-2-carboxylate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C61H87N9O15
+CH$EXACT_MASS: 1185.632163
+CH$SMILES: CCCC(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)OC(=O)[C@@H]2CCCN2C(=O)CCC)C(=O)N[C@H]3[C@H](OC(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](N4[C@@H](CC[C@@H](C4=O)NC(=O)C(NC3=O)CC(C)C)O)CC5=CC=CC=C5)C)CC6=CC=C(C=C6)O)C(C)C)C
+CH$IUPAC: InChI=1S/C61H87N9O15/c1-10-17-47(72)68-29-15-21-43(68)54(76)65-52(36(7)84-60(82)44-22-16-30-69(44)48(73)18-11-2)57(79)66-51-37(8)85-61(83)50(35(5)6)64-55(77)45(32-39-23-25-40(71)26-24-39)67(9)59(81)46(33-38-19-13-12-14-20-38)70-49(74)28-27-41(58(70)80)62-53(75)42(31-34(3)4)63-56(51)78/h12-14,19-20,23-26,34-37,41-46,49-52,71,74H,10-11,15-18,21-22,27-33H2,1-9H3,(H,62,75)(H,63,78)(H,64,77)(H,65,76)(H,66,79)/t36-,37-,41+,42?,43+,44+,45+,46+,49-,50+,51+,52+/m1/s1
+CH$LINK: PUBCHEM CID:164887590
+CH$LINK: INCHIKEY MLONDHJIZVGDPO-FGPZQASWSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 82-1230
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.940 min
+MS$FOCUSED_ION: BASE_PEAK 1168.6291
+MS$FOCUSED_ION: PRECURSOR_M/Z 1186.6394
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 265979870.38
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0fkc-3900000000-6bb3dfb470bbfd298267
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  84.0444 C4H6NO+ 1 84.0444 0.39
+  91.0542 C7H7+ 1 91.0542 0.09
+  93.0698 C7H9+ 1 93.0699 -0.34
+  95.0491 C6H7O+ 1 95.0491 0.04
+  95.0604 C5H7N2+ 1 95.0604 -0.23
+  96.0443 C5H6NO+ 1 96.0444 -1.07
+  96.0682 C5H8N2+ 1 96.0682 -0.49
+  96.0811 C6H10N+ 1 96.0808 2.9
+  98.0964 C6H12N+ 1 98.0964 -0.2
+  103.0542 C8H7+ 1 103.0542 -0.29
+  105.0699 C8H9+ 1 105.0699 -0.2
+  107.0492 C7H7O+ 1 107.0491 0.24
+  109.0649 C7H9O+ 1 109.0648 0.82
+  109.0763 C6H9N2+ 1 109.076 2.96
+  110.06 C6H8NO+ 1 110.06 -0.43
+  115.0542 C9H7+ 1 115.0542 -0.06
+  116.0708 C5H10NO2+ 1 116.0706 1.96
+  117.0574 C8H7N+ 1 117.0573 0.45
+  118.0653 C8H8N+ 1 118.0651 1.32
+  119.0491 C8H7O+ 1 119.0491 -0.27
+  120.0808 C8H10N+ 1 120.0808 0.23
+  121.0285 C7H5O2+ 1 121.0284 0.94
+  121.0648 C8H9O+ 1 121.0648 0.24
+  125.1074 C7H13N2+ 1 125.1073 0.68
+  128.0618 C10H8+ 1 128.0621 -1.79
+  129.0697 C10H9+ 1 129.0699 -1.36
+  130.0652 C9H8N+ 1 130.0651 0.25
+  132.0808 C9H10N+ 1 132.0808 -0.01
+  134.06 C8H8NO+ 1 134.06 -0.09
+  135.0678 C8H9NO+ 1 135.0679 -0.62
+  136.0757 C8H10NO+ 1 136.0757 -0.26
+  139.0864 C7H11N2O+ 1 139.0866 -1.65
+  140.1069 C8H14NO+ 1 140.107 -0.57
+  143.0855 C11H11+ 1 143.0855 -0.22
+  144.0809 C10H10N+ 1 144.0808 1.08
+  148.0759 C9H10NO+ 1 148.0757 1.56
+  149.0712 C8H9N2O+ 1 149.0709 1.47
+  150.0913 C9H12NO+ 1 150.0913 -0.38
+  153.07 C12H9+ 1 153.0699 0.68
+  155.0727 C11H9N+ 1 155.073 -1.9
+  158.0965 C11H12N+ 1 158.0964 0.65
+  168.0808 C12H10N+ 1 168.0808 -0.08
+  168.102 C9H14NO2+ 1 168.1019 0.67
+  170.0963 C12H12N+ 1 170.0964 -0.58
+PK$NUM_PEAK: 44
+PK$PEAK: m/z int. rel.int.
+  84.0444 952798.1 51
+  91.0542 18579234 999
+  93.0698 1241706.5 66
+  95.0491 975753.1 52
+  95.0604 1132228.5 60
+  96.0443 572961.1 30
+  96.0682 489412.3 26
+  96.0811 443047.9 23
+  98.0964 381218.2 20
+  103.0542 4466940 240
+  105.0699 2045209 109
+  107.0492 4515159.5 242
+  109.0649 807505.2 43
+  109.0763 225394.6 12
+  110.06 914604 49
+  115.0542 676674.5 36
+  116.0708 260319 13
+  117.0574 683326.1 36
+  118.0653 571889.6 30
+  119.0491 1606490.6 86
+  120.0808 18409980 989
+  121.0285 892283.2 47
+  121.0648 1770769.4 95
+  125.1074 975105.5 52
+  128.0618 579262.1 31
+  129.0697 231905.7 12
+  130.0652 520032.6 27
+  132.0808 458155 24
+  134.06 676774 36
+  135.0678 4629148 248
+  136.0757 1277746.4 68
+  139.0864 339393.4 18
+  140.1069 1439443.6 77
+  143.0855 424263.3 22
+  144.0809 404750.7 21
+  148.0759 228011.5 12
+  149.0712 419480 22
+  150.0913 7565158.5 406
+  153.07 804790.5 43
+  155.0727 689115.1 37
+  158.0965 1271739.6 68
+  168.0808 1297150.8 69
+  168.102 968318.1 52
+  170.0963 4481593.5 240
+//
diff --git a/Eawag/MSBNK-MLU-ED227351.txt b/Eawag/MSBNK-MLU-ED227351.txt
new file mode 100644
index 0000000000..c5d16184ff
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED227351.txt
@@ -0,0 +1,52 @@
+ACCESSION: MSBNK-MLU-ED227351
+RECORD_TITLE: Rivulariapeptolide 1185; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], W. H. Gerwick [dtc], R. Reher [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2273
+CH$NAME: Rivulariapeptolide 1185
+CH$NAME: [(2R,3S)-4-[[(2S,5S,8S,11R,12S,18S,21R)-2-benzyl-21-hydroxy-5-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-15-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-3-[[(2S)-1-butanoylpyrrolidine-2-carbonyl]amino]-4-oxobutan-2-yl] (2S)-1-butanoylpyrrolidine-2-carboxylate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C61H87N9O15
+CH$EXACT_MASS: 1185.632163
+CH$SMILES: CCCC(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)OC(=O)[C@@H]2CCCN2C(=O)CCC)C(=O)N[C@H]3[C@H](OC(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](N4[C@@H](CC[C@@H](C4=O)NC(=O)C(NC3=O)CC(C)C)O)CC5=CC=CC=C5)C)CC6=CC=C(C=C6)O)C(C)C)C
+CH$IUPAC: InChI=1S/C61H87N9O15/c1-10-17-47(72)68-29-15-21-43(68)54(76)65-52(36(7)84-60(82)44-22-16-30-69(44)48(73)18-11-2)57(79)66-51-37(8)85-61(83)50(35(5)6)64-55(77)45(32-39-23-25-40(71)26-24-39)67(9)59(81)46(33-38-19-13-12-14-20-38)70-49(74)28-27-41(58(70)80)62-53(75)42(31-34(3)4)63-56(51)78/h12-14,19-20,23-26,34-37,41-46,49-52,71,74H,10-11,15-18,21-22,27-33H2,1-9H3,(H,62,75)(H,63,78)(H,64,77)(H,65,76)(H,66,79)/t36-,37-,41+,42?,43+,44+,45+,46+,49-,50+,51+,52+/m1/s1
+CH$LINK: PUBCHEM CID:164887590
+CH$LINK: INCHIKEY MLONDHJIZVGDPO-FGPZQASWSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 81-1225
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.962 min
+MS$FOCUSED_ION: BASE_PEAK 1184.6247
+MS$FOCUSED_ION: PRECURSOR_M/Z 1184.6249
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 652805035.5
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-000t-0600000419-bb58e16fc99f3d289018
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  710.3885 C37H58O13- 13 710.3883 0.32
+  749.3881 C39H53N6O9- 12 749.388 0.21
+  895.4941 C60H61N7O- 13 895.4943 -0.27
+  999.52 C52H71N8O12- 7 999.5197 0.26
+  1184.6258 C61H86N9O15- 1 1184.6249 0.8
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  710.3885 115690064 505
+  749.3881 2363160.8 10
+  895.4941 49888192 217
+  999.52 228723840 999
+  1184.6258 162464096 709
+//
diff --git a/Eawag/MSBNK-MLU-ED227352.txt b/Eawag/MSBNK-MLU-ED227352.txt
new file mode 100644
index 0000000000..f7188e5b7e
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED227352.txt
@@ -0,0 +1,62 @@
+ACCESSION: MSBNK-MLU-ED227352
+RECORD_TITLE: Rivulariapeptolide 1185; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], W. H. Gerwick [dtc], R. Reher [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2273
+CH$NAME: Rivulariapeptolide 1185
+CH$NAME: [(2R,3S)-4-[[(2S,5S,8S,11R,12S,18S,21R)-2-benzyl-21-hydroxy-5-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-15-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-3-[[(2S)-1-butanoylpyrrolidine-2-carbonyl]amino]-4-oxobutan-2-yl] (2S)-1-butanoylpyrrolidine-2-carboxylate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C61H87N9O15
+CH$EXACT_MASS: 1185.632163
+CH$SMILES: CCCC(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)OC(=O)[C@@H]2CCCN2C(=O)CCC)C(=O)N[C@H]3[C@H](OC(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](N4[C@@H](CC[C@@H](C4=O)NC(=O)C(NC3=O)CC(C)C)O)CC5=CC=CC=C5)C)CC6=CC=C(C=C6)O)C(C)C)C
+CH$IUPAC: InChI=1S/C61H87N9O15/c1-10-17-47(72)68-29-15-21-43(68)54(76)65-52(36(7)84-60(82)44-22-16-30-69(44)48(73)18-11-2)57(79)66-51-37(8)85-61(83)50(35(5)6)64-55(77)45(32-39-23-25-40(71)26-24-39)67(9)59(81)46(33-38-19-13-12-14-20-38)70-49(74)28-27-41(58(70)80)62-53(75)42(31-34(3)4)63-56(51)78/h12-14,19-20,23-26,34-37,41-46,49-52,71,74H,10-11,15-18,21-22,27-33H2,1-9H3,(H,62,75)(H,63,78)(H,64,77)(H,65,76)(H,66,79)/t36-,37-,41+,42?,43+,44+,45+,46+,49-,50+,51+,52+/m1/s1
+CH$LINK: PUBCHEM CID:164887590
+CH$LINK: INCHIKEY MLONDHJIZVGDPO-FGPZQASWSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 81-1225
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.962 min
+MS$FOCUSED_ION: BASE_PEAK 1184.6247
+MS$FOCUSED_ION: PRECURSOR_M/Z 1184.6249
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 652805035.5
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0002-0100000009-076a539ea85747975d55
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  114.0547 C3H6N4O- 1 114.0547 0.04
+  184.0964 C7H12N4O2- 1 184.0966 -0.69
+  486.2314 C33H30N2O2- 8 486.2313 0.24
+  570.2796 C27H42N2O11- 8 570.2794 0.38
+  627.3508 C46H45NO- 11 627.3507 0.18
+  666.3515 C35H48N5O8- 10 666.3508 0.92
+  749.3871 C53H51NO3- 14 749.3874 -0.5
+  895.4941 C60H61N7O- 13 895.4943 -0.2
+  999.5198 C52H71N8O12- 7 999.5197 0.07
+  1184.6256 C61H86N9O15- 1 1184.6249 0.6
+PK$NUM_PEAK: 10
+PK$PEAK: m/z int. rel.int.
+  114.0547 3178902 11
+  184.0964 7453233 27
+  486.2314 3221643.2 11
+  570.2796 25104374 92
+  627.3508 3608945 13
+  666.3515 5484851.5 20
+  749.3871 15273792 56
+  895.4941 15534894 57
+  999.5198 269820448 999
+  1184.6256 37440480 138
+//
diff --git a/Eawag/MSBNK-MLU-ED227353.txt b/Eawag/MSBNK-MLU-ED227353.txt
new file mode 100644
index 0000000000..051abe32b3
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED227353.txt
@@ -0,0 +1,74 @@
+ACCESSION: MSBNK-MLU-ED227353
+RECORD_TITLE: Rivulariapeptolide 1185; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], W. H. Gerwick [dtc], R. Reher [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2273
+CH$NAME: Rivulariapeptolide 1185
+CH$NAME: [(2R,3S)-4-[[(2S,5S,8S,11R,12S,18S,21R)-2-benzyl-21-hydroxy-5-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-15-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-3-[[(2S)-1-butanoylpyrrolidine-2-carbonyl]amino]-4-oxobutan-2-yl] (2S)-1-butanoylpyrrolidine-2-carboxylate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C61H87N9O15
+CH$EXACT_MASS: 1185.632163
+CH$SMILES: CCCC(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)OC(=O)[C@@H]2CCCN2C(=O)CCC)C(=O)N[C@H]3[C@H](OC(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](N4[C@@H](CC[C@@H](C4=O)NC(=O)C(NC3=O)CC(C)C)O)CC5=CC=CC=C5)C)CC6=CC=C(C=C6)O)C(C)C)C
+CH$IUPAC: InChI=1S/C61H87N9O15/c1-10-17-47(72)68-29-15-21-43(68)54(76)65-52(36(7)84-60(82)44-22-16-30-69(44)48(73)18-11-2)57(79)66-51-37(8)85-61(83)50(35(5)6)64-55(77)45(32-39-23-25-40(71)26-24-39)67(9)59(81)46(33-38-19-13-12-14-20-38)70-49(74)28-27-41(58(70)80)62-53(75)42(31-34(3)4)63-56(51)78/h12-14,19-20,23-26,34-37,41-46,49-52,71,74H,10-11,15-18,21-22,27-33H2,1-9H3,(H,62,75)(H,63,78)(H,64,77)(H,65,76)(H,66,79)/t36-,37-,41+,42?,43+,44+,45+,46+,49-,50+,51+,52+/m1/s1
+CH$LINK: PUBCHEM CID:164887590
+CH$LINK: INCHIKEY MLONDHJIZVGDPO-FGPZQASWSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 81-1225
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.962 min
+MS$FOCUSED_ION: BASE_PEAK 1184.6247
+MS$FOCUSED_ION: PRECURSOR_M/Z 1184.6249
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 652805035.5
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-01ot-0100041906-c402e4a751ff8b8f10a6
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  114.0547 C3H6N4O- 1 114.0547 0.11
+  165.0653 C6H7N5O- 1 165.0656 -2.01
+  183.1124 C7H13N5O- 1 183.1126 -1
+  184.0965 C7H12N4O2- 1 184.0966 -0.61
+  208.0967 C9H12N4O2- 1 208.0966 0.57
+  293.1492 C13H19N5O3- 4 293.1493 -0.54
+  349.1872 C2H31N5O14- 8 349.1873 -0.36
+  526.2657 C10H40N9O15- 8 526.2649 1.48
+  543.2939 C15H43N8O13- 8 543.2955 -3.01
+  570.2796 C27H42N2O11- 10 570.2794 0.27
+  640.3463 C32H46N7O7- 11 640.3464 -0.25
+  666.351 C35H48N5O8- 10 666.3508 0.28
+  710.3884 C37H58O13- 13 710.3883 0.15
+  711.3908 C30H57N5O14- 13 711.3908 0.12
+  749.3876 C53H51NO3- 13 749.3874 0.15
+  999.5201 C52H71N8O12- 8 999.5197 0.38
+PK$NUM_PEAK: 16
+PK$PEAK: m/z int. rel.int.
+  114.0547 9315592 79
+  165.0653 1573907.2 13
+  183.1124 1730922.2 14
+  184.0965 13519744 115
+  208.0967 2179215.2 18
+  293.1492 1764769.5 15
+  349.1872 7334769.5 62
+  526.2657 4760844 40
+  543.2939 2646488.8 22
+  570.2796 65479440 561
+  640.3463 10581038 90
+  666.351 13957727 119
+  710.3884 116538832 999
+  711.3908 5541487 47
+  749.3876 32323412 277
+  999.5201 110135296 944
+//
diff --git a/Eawag/MSBNK-MLU-ED227354.txt b/Eawag/MSBNK-MLU-ED227354.txt
new file mode 100644
index 0000000000..610c670738
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED227354.txt
@@ -0,0 +1,130 @@
+ACCESSION: MSBNK-MLU-ED227354
+RECORD_TITLE: Rivulariapeptolide 1185; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], W. H. Gerwick [dtc], R. Reher [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2273
+CH$NAME: Rivulariapeptolide 1185
+CH$NAME: [(2R,3S)-4-[[(2S,5S,8S,11R,12S,18S,21R)-2-benzyl-21-hydroxy-5-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-15-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-3-[[(2S)-1-butanoylpyrrolidine-2-carbonyl]amino]-4-oxobutan-2-yl] (2S)-1-butanoylpyrrolidine-2-carboxylate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C61H87N9O15
+CH$EXACT_MASS: 1185.632163
+CH$SMILES: CCCC(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)OC(=O)[C@@H]2CCCN2C(=O)CCC)C(=O)N[C@H]3[C@H](OC(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](N4[C@@H](CC[C@@H](C4=O)NC(=O)C(NC3=O)CC(C)C)O)CC5=CC=CC=C5)C)CC6=CC=C(C=C6)O)C(C)C)C
+CH$IUPAC: InChI=1S/C61H87N9O15/c1-10-17-47(72)68-29-15-21-43(68)54(76)65-52(36(7)84-60(82)44-22-16-30-69(44)48(73)18-11-2)57(79)66-51-37(8)85-61(83)50(35(5)6)64-55(77)45(32-39-23-25-40(71)26-24-39)67(9)59(81)46(33-38-19-13-12-14-20-38)70-49(74)28-27-41(58(70)80)62-53(75)42(31-34(3)4)63-56(51)78/h12-14,19-20,23-26,34-37,41-46,49-52,71,74H,10-11,15-18,21-22,27-33H2,1-9H3,(H,62,75)(H,63,78)(H,64,77)(H,65,76)(H,66,79)/t36-,37-,41+,42?,43+,44+,45+,46+,49-,50+,51+,52+/m1/s1
+CH$LINK: PUBCHEM CID:164887590
+CH$LINK: INCHIKEY MLONDHJIZVGDPO-FGPZQASWSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 81-1225
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.962 min
+MS$FOCUSED_ION: BASE_PEAK 1184.6247
+MS$FOCUSED_ION: PRECURSOR_M/Z 1184.6249
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 652805035.5
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-022a-0511192502-97e47711c72be3c71acc
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  99.0551 C2H5N5- 1 99.055 0.32
+  113.0707 C3H7N5- 1 113.0707 -0.02
+  114.0547 C3H6N4O- 1 114.0547 -0.16
+  116.0703 C3H8N4O- 1 116.0704 -0.43
+  119.049 C6H5N3- 1 119.0489 0.55
+  125.0344 C3H3N5O- 1 125.0343 0.42
+  142.0498 C4H6N4O2- 1 142.0496 1.51
+  155.0813 C5H9N5O- 1 155.0813 0.09
+  160.0755 C8H8N4- 1 160.0754 0.2
+  164.1066 C8H12N4- 1 164.1067 -1.02
+  165.0656 C6H7N5O- 1 165.0656 -0.07
+  169.0969 C6H11N5O- 1 169.0969 -0.17
+  183.1125 C7H13N5O- 1 183.1126 -0.17
+  184.0965 C7H12N4O2- 1 184.0966 -0.44
+  186.1233 C6H14N6O- 1 186.1235 -0.82
+  203.0814 C9H9N5O- 1 203.0813 0.51
+  208.0961 C9H12N4O2- 3 208.0966 -2.29
+  240.1336 C9H16N6O2- 3 240.134 -1.59
+  246.1232 C11H14N6O- 3 246.1235 -1.07
+  249.1226 C11H15N5O2- 3 249.1231 -2.03
+  260.1032 C11H12N6O2- 2 260.1027 1.65
+  272.1389 C13H16N6O- 4 272.1391 -0.71
+  293.1496 C13H19N5O3- 3 293.1493 0.82
+  323.1388 C17H17N5O2- 6 323.1388 0.19
+  325.1871 H31N5O14- 6 325.1873 -0.53
+  349.1873 C2H31N5O14- 7 349.1873 -0.01
+  373.1869 C18H29O8- 8 373.1868 0.26
+  403.2341 C6H37N5O14- 8 403.2342 -0.3
+  404.2295 C5H36N6O14- 7 404.2295 -0.02
+  429.2137 C7H35N5O15- 9 429.2135 0.49
+  486.231 C33H30N2O2- 9 486.2313 -0.58
+  486.2722 C13H40N7O12- 8 486.274 -3.74
+  515.2619 C39H33N- 7 515.2618 0.08
+  526.2655 C10H40N9O15- 8 526.2649 1.01
+  543.2931 C15H43N8O13- 8 543.2955 -4.47
+  555.2567 C41H33NO- 9 555.2568 -0.03
+  570.2797 C27H42N2O11- 8 570.2794 0.48
+  627.3504 C46H45NO- 9 627.3507 -0.41
+  640.3464 C32H46N7O7- 11 640.3464 -0.06
+  666.3508 C35H48N5O8- 11 666.3508 0
+  710.3885 C37H58O13- 13 710.3883 0.23
+  711.3905 C30H57N5O14- 13 711.3908 -0.31
+  749.3877 C39H53N6O9- 12 749.388 -0.28
+  999.5201 C52H71N8O12- 8 999.5197 0.38
+PK$NUM_PEAK: 44
+PK$PEAK: m/z int. rel.int.
+  99.0551 2514311.2 24
+  113.0707 1391152.4 13
+  114.0547 25414790 246
+  116.0703 3322539 32
+  119.049 1319333 12
+  125.0344 3649005.5 35
+  142.0498 1236163.5 12
+  155.0813 1153888.8 11
+  160.0755 2005348.8 19
+  164.1066 1570839.6 15
+  165.0656 6216301.5 60
+  169.0969 2083986.1 20
+  183.1125 5421807 52
+  184.0965 23508116 228
+  186.1233 1928829.8 18
+  203.0814 1881648.6 18
+  208.0961 6743629.5 65
+  240.1336 1495984.4 14
+  246.1232 1793436.4 17
+  249.1226 1484629.1 14
+  260.1032 3580430.2 34
+  272.1389 2280678.8 22
+  293.1496 7180136 69
+  323.1388 5985634.5 58
+  325.1871 1215352.5 11
+  349.1873 9364986 90
+  373.1869 3446159.2 33
+  403.2341 5206088 50
+  404.2295 5293708 51
+  429.2137 6310339 61
+  486.231 1941730.2 18
+  486.2722 3822708.8 37
+  515.2619 1625932.5 15
+  526.2655 5631774 54
+  543.2931 4076787 39
+  555.2567 6787432.5 65
+  570.2797 102820640 999
+  627.3504 2469797.2 23
+  640.3464 9792812 95
+  666.3508 20563924 199
+  710.3885 34095976 331
+  711.3905 1568917.4 15
+  749.3877 39550072 384
+  999.5201 28706942 278
+//
diff --git a/Eawag/MSBNK-MLU-ED227355.txt b/Eawag/MSBNK-MLU-ED227355.txt
new file mode 100644
index 0000000000..bb8c5c073d
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED227355.txt
@@ -0,0 +1,196 @@
+ACCESSION: MSBNK-MLU-ED227355
+RECORD_TITLE: Rivulariapeptolide 1185; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], W. H. Gerwick [dtc], R. Reher [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2273
+CH$NAME: Rivulariapeptolide 1185
+CH$NAME: [(2R,3S)-4-[[(2S,5S,8S,11R,12S,18S,21R)-2-benzyl-21-hydroxy-5-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-15-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-3-[[(2S)-1-butanoylpyrrolidine-2-carbonyl]amino]-4-oxobutan-2-yl] (2S)-1-butanoylpyrrolidine-2-carboxylate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C61H87N9O15
+CH$EXACT_MASS: 1185.632163
+CH$SMILES: CCCC(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)OC(=O)[C@@H]2CCCN2C(=O)CCC)C(=O)N[C@H]3[C@H](OC(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](N4[C@@H](CC[C@@H](C4=O)NC(=O)C(NC3=O)CC(C)C)O)CC5=CC=CC=C5)C)CC6=CC=C(C=C6)O)C(C)C)C
+CH$IUPAC: InChI=1S/C61H87N9O15/c1-10-17-47(72)68-29-15-21-43(68)54(76)65-52(36(7)84-60(82)44-22-16-30-69(44)48(73)18-11-2)57(79)66-51-37(8)85-61(83)50(35(5)6)64-55(77)45(32-39-23-25-40(71)26-24-39)67(9)59(81)46(33-38-19-13-12-14-20-38)70-49(74)28-27-41(58(70)80)62-53(75)42(31-34(3)4)63-56(51)78/h12-14,19-20,23-26,34-37,41-46,49-52,71,74H,10-11,15-18,21-22,27-33H2,1-9H3,(H,62,75)(H,63,78)(H,64,77)(H,65,76)(H,66,79)/t36-,37-,41+,42?,43+,44+,45+,46+,49-,50+,51+,52+/m1/s1
+CH$LINK: PUBCHEM CID:164887590
+CH$LINK: INCHIKEY MLONDHJIZVGDPO-FGPZQASWSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 81-1225
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.962 min
+MS$FOCUSED_ION: BASE_PEAK 1184.6247
+MS$FOCUSED_ION: PRECURSOR_M/Z 1184.6249
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 652805035.5
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03di-0920010000-d0e9db44e7aa478831b1
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  84.0078 CN4O- 1 84.0078 0.21
+  85.0393 CH3N5- 1 85.0394 -0.85
+  86.0599 C2H6N4- 1 86.0598 1.07
+  93.0331 C4H3N3- 1 93.0332 -1.86
+  99.0187 CHN5O- 1 99.0187 0.71
+  99.0551 C2H5N5- 1 99.055 0.24
+  107.0488 C5H5N3- 1 107.0489 -0.65
+  111.0186 C2HN5O- 1 111.0187 -0.69
+  111.0551 C3H5N5- 1 111.055 0.13
+  112.0264 C2H2N5O- 1 112.0265 -0.9
+  113.0344 C2H3N5O- 1 113.0343 0.93
+  113.0707 C3H7N5- 1 113.0707 0.11
+  114.0547 C3H6N4O- 1 114.0547 -0.03
+  116.0704 C3H8N4O- 1 116.0704 0.03
+  119.0489 C6H5N3- 1 119.0489 0.42
+  122.0596 C5H6N4- 1 122.0598 -1.22
+  125.0344 C3H3N5O- 1 125.0343 0.48
+  127.0501 C3H5N5O- 1 127.05 0.84
+  129.1021 C4H11N5- 1 129.102 0.81
+  137.0707 C5H7N5- 1 137.0707 0.36
+  139.0499 C4H5N5O- 1 139.05 -0.23
+  139.0864 C5H9N5- 1 139.0863 0.15
+  141.102 C5H11N5- 1 141.102 0.27
+  142.0499 C4H6N4O2- 1 142.0496 1.94
+  147.0437 C7H5N3O- 1 147.0438 -0.45
+  151.0865 C6H9N5- 1 151.0863 0.8
+  153.1019 C6H11N5- 1 153.102 -0.93
+  155.0812 C5H9N5O- 1 155.0813 -0.3
+  156.0767 C4H8N6O- 1 156.0765 1.03
+  160.0754 C8H8N4- 1 160.0754 -0.18
+  162.0546 C7H6N4O- 1 162.0547 -0.41
+  164.0704 C7H8N4O- 1 164.0704 -0.04
+  164.1067 C8H12N4- 1 164.1067 -0.28
+  165.0655 C6H7N5O- 1 165.0656 -0.44
+  167.0813 C6H9N5O- 1 167.0813 0.48
+  167.1176 C7H13N5- 1 167.1176 -0.03
+  168.1129 C6H12N6- 1 168.1129 0.12
+  169.0968 C6H11N5O- 1 169.0969 -0.71
+  170.0919 C5H10N6O- 1 170.0922 -1.73
+  171.1127 C6H13N5O- 1 171.1126 0.71
+  181.0966 C7H11N5O- 1 181.0969 -1.48
+  183.1126 C7H13N5O- 1 183.1126 0.42
+  184.0962 C7H12N4O2- 1 184.0966 -1.77
+  186.1234 C6H14N6O- 1 186.1235 -0.33
+  187.1075 C6H13N5O2- 1 187.1075 0.13
+  195.1128 C8H13N5O- 1 195.1126 0.98
+  196.1077 C7H12N6O- 1 196.1078 -0.55
+  198.1235 C7H14N6O- 1 198.1235 0.25
+  200.1391 C7H16N6O- 1 200.1391 -0.11
+  203.0811 C9H9N5O- 1 203.0813 -0.54
+  212.1028 C7H12N6O2- 1 212.1027 0.46
+  215.0814 C10H9N5O- 1 215.0813 0.55
+  217.0968 C10H11N5O- 1 217.0969 -0.71
+  218.1162 C10H18O5- 2 218.116 1
+  234.1231 C10H14N6O- 3 234.1235 -1.36
+  240.1345 C9H16N6O2- 2 240.134 1.84
+  243.1448 C8H17N7O2- 3 243.1449 -0.64
+  246.1233 C11H14N6O- 3 246.1235 -0.51
+  260.1025 C11H12N6O2- 3 260.1027 -0.93
+  261.1342 C11H15N7O- 3 261.1344 -0.45
+  266.1493 C11H18N6O2- 3 266.1497 -1.54
+  272.1391 C13H16N6O- 4 272.1391 0.08
+  281.1244 C11H21O8- 3 281.1242 0.59
+  293.1495 C13H19N5O3- 5 293.1493 0.4
+  323.139 C17H17N5O2- 6 323.1388 0.57
+  325.1872 H31N5O14- 6 325.1873 -0.25
+  347.208 C3H33N5O13- 7 347.208 -0.14
+  349.1872 C2H31N5O14- 7 349.1873 -0.27
+  373.1868 C18H29O8- 8 373.1868 0.01
+  403.2345 C6H37N5O14- 9 403.2342 0.68
+  404.2298 C5H36N6O14- 8 404.2295 0.81
+  429.2138 C7H35N5O15- 8 429.2135 0.7
+  486.2309 C33H30N2O2- 9 486.2313 -0.7
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+  555.2566 C41H33NO- 9 555.2568 -0.36
+  570.2796 C27H42N2O11- 8 570.2794 0.38
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+  555.2566 17309450 343
+  570.2796 14002581 277
+//
diff --git a/Eawag/MSBNK-MLU-ED227356.txt b/Eawag/MSBNK-MLU-ED227356.txt
new file mode 100644
index 0000000000..474a3b1f21
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED227356.txt
@@ -0,0 +1,178 @@
+ACCESSION: MSBNK-MLU-ED227356
+RECORD_TITLE: Rivulariapeptolide 1185; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], W. H. Gerwick [dtc], R. Reher [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2273
+CH$NAME: Rivulariapeptolide 1185
+CH$NAME: [(2R,3S)-4-[[(2S,5S,8S,11R,12S,18S,21R)-2-benzyl-21-hydroxy-5-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-15-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-3-[[(2S)-1-butanoylpyrrolidine-2-carbonyl]amino]-4-oxobutan-2-yl] (2S)-1-butanoylpyrrolidine-2-carboxylate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C61H87N9O15
+CH$EXACT_MASS: 1185.632163
+CH$SMILES: CCCC(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)OC(=O)[C@@H]2CCCN2C(=O)CCC)C(=O)N[C@H]3[C@H](OC(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](N4[C@@H](CC[C@@H](C4=O)NC(=O)C(NC3=O)CC(C)C)O)CC5=CC=CC=C5)C)CC6=CC=C(C=C6)O)C(C)C)C
+CH$IUPAC: InChI=1S/C61H87N9O15/c1-10-17-47(72)68-29-15-21-43(68)54(76)65-52(36(7)84-60(82)44-22-16-30-69(44)48(73)18-11-2)57(79)66-51-37(8)85-61(83)50(35(5)6)64-55(77)45(32-39-23-25-40(71)26-24-39)67(9)59(81)46(33-38-19-13-12-14-20-38)70-49(74)28-27-41(58(70)80)62-53(75)42(31-34(3)4)63-56(51)78/h12-14,19-20,23-26,34-37,41-46,49-52,71,74H,10-11,15-18,21-22,27-33H2,1-9H3,(H,62,75)(H,63,78)(H,64,77)(H,65,76)(H,66,79)/t36-,37-,41+,42?,43+,44+,45+,46+,49-,50+,51+,52+/m1/s1
+CH$LINK: PUBCHEM CID:164887590
+CH$LINK: INCHIKEY MLONDHJIZVGDPO-FGPZQASWSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 81-1225
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.962 min
+MS$FOCUSED_ION: BASE_PEAK 1184.6247
+MS$FOCUSED_ION: PRECURSOR_M/Z 1184.6249
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 652805035.5
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03di-0910000000-ad2e0368c6503edff7cd
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  83.0235 CHN5- 1 83.0237 -2.52
+  84.0077 CN4O- 1 84.0078 -0.24
+  85.0394 CH3N5- 1 85.0394 -0.04
+  86.0599 C2H6N4- 1 86.0598 0.72
+  93.033 C4H3N3- 1 93.0332 -2.1
+  97.0393 C2H3N5- 1 97.0394 -1.43
+  99.0187 CHN5O- 1 99.0187 0.1
+  99.055 C2H5N5- 1 99.055 -0.3
+  107.0488 C5H5N3- 1 107.0489 -1.01
+  111.0187 C2HN5O- 1 111.0187 0
+  111.0551 C3H5N5- 1 111.055 0.47
+  112.0265 C2H2N5O- 1 112.0265 0.12
+  113.0344 C2H3N5O- 1 113.0343 1.13
+  113.0707 C3H7N5- 1 113.0707 0.38
+  114.0547 C3H6N4O- 1 114.0547 0.11
+  116.0704 C3H8N4O- 1 116.0704 0.23
+  119.0489 C6H5N3- 1 119.0489 0.16
+  122.0598 C5H6N4- 1 122.0598 0.03
+  125.0344 C3H3N5O- 1 125.0343 0.35
+  127.0499 C3H5N5O- 1 127.05 -0.24
+  129.1021 C4H11N5- 1 129.102 0.93
+  137.0708 C5H7N5- 1 137.0707 1.03
+  139.0501 C4H5N5O- 1 139.05 1.2
+  139.0865 C5H9N5- 1 139.0863 1.14
+  141.1021 C5H11N5- 1 141.102 0.6
+  142.0496 C4H6N4O2- 1 142.0496 -0.32
+  143.1176 C5H13N5- 1 143.1176 -0.25
+  147.0445 C7H5N3O- 2 147.0438 4.53
+  151.0864 C6H9N5- 1 151.0863 0.09
+  153.1022 C6H11N5- 1 153.102 1.06
+  155.0813 C5H9N5O- 1 155.0813 0.49
+  155.1171 C6H13N5- 2 155.1176 -3.7
+  156.0761 C4H8N6O- 1 156.0765 -2.49
+  160.0755 C8H8N4- 1 160.0754 0.11
+  162.0546 C7H6N4O- 1 162.0547 -0.79
+  164.0697 C7H8N4O- 3 164.0704 -4.04
+  164.1069 C8H12N4- 1 164.1067 0.65
+  165.0656 C6H7N5O- 1 165.0656 -0.07
+  167.0812 C6H9N5O- 1 167.0813 -0.53
+  167.1179 C7H13N5- 1 167.1176 1.43
+  168.0403 C4H4N6O2- 1 168.0401 1.04
+  168.1129 C6H12N6- 1 168.1129 -0.16
+  169.0968 C6H11N5O- 1 169.0969 -0.35
+  170.0923 C5H10N6O- 1 170.0922 1.05
+  181.0969 C7H11N5O- 1 181.0969 -0.3
+  183.1125 C7H13N5O- 1 183.1126 -0.25
+  186.1234 C6H14N6O- 1 186.1235 -0.58
+  187.108 C6H13N5O2- 2 187.1075 2.98
+  191.1176 C9H13N5- 1 191.1176 -0.46
+  195.1124 C8H13N5O- 1 195.1126 -1.05
+  196.1077 C7H12N6O- 1 196.1078 -0.78
+  198.1233 C7H14N6O- 1 198.1235 -0.98
+  200.1394 C7H16N6O- 1 200.1391 1.34
+  203.0812 C9H9N5O- 1 203.0813 -0.09
+  212.1028 C7H12N6O2- 1 212.1027 0.54
+  215.0817 C10H9N5O- 2 215.0813 2.11
+  217.0968 C10H11N5O- 1 217.0969 -0.43
+  218.1164 C10H18O5- 3 218.116 1.84
+  220.1073 C9H12N6O- 3 220.1078 -2.14
+  234.1233 C10H14N6O- 1 234.1235 -0.65
+  243.1449 C8H17N7O2- 2 243.1449 -0.01
+  246.1232 C11H14N6O- 3 246.1235 -0.88
+  260.1024 C11H12N6O2- 3 260.1027 -1.4
+  293.1494 C13H19N5O3- 5 293.1493 0.19
+  323.1388 C17H17N5O2- 6 323.1388 0.09
+  347.2081 C3H33N5O13- 7 347.208 0.3
+  499.2307 C38H29N- 7 499.2305 0.39
+  555.2564 C41H33NO- 9 555.2568 -0.69
+PK$NUM_PEAK: 68
+PK$PEAK: m/z int. rel.int.
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+  198.1233 1347021.5 15
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+  215.0817 910182.2 10
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+  218.1164 2926606 33
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+  243.1449 4223383.5 48
+  246.1232 2798287.8 32
+  260.1024 2444462 27
+  293.1494 2208817.8 25
+  323.1388 993220.3 11
+  347.2081 2773262.2 31
+  499.2307 3637775.5 41
+  555.2564 3049844.2 34
+//
diff --git a/Eawag/MSBNK-MLU-ED227357.txt b/Eawag/MSBNK-MLU-ED227357.txt
new file mode 100644
index 0000000000..1e4cd9d4b1
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED227357.txt
@@ -0,0 +1,140 @@
+ACCESSION: MSBNK-MLU-ED227357
+RECORD_TITLE: Rivulariapeptolide 1185; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], W. H. Gerwick [dtc], R. Reher [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2273
+CH$NAME: Rivulariapeptolide 1185
+CH$NAME: [(2R,3S)-4-[[(2S,5S,8S,11R,12S,18S,21R)-2-benzyl-21-hydroxy-5-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-15-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-3-[[(2S)-1-butanoylpyrrolidine-2-carbonyl]amino]-4-oxobutan-2-yl] (2S)-1-butanoylpyrrolidine-2-carboxylate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C61H87N9O15
+CH$EXACT_MASS: 1185.632163
+CH$SMILES: CCCC(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)OC(=O)[C@@H]2CCCN2C(=O)CCC)C(=O)N[C@H]3[C@H](OC(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](N4[C@@H](CC[C@@H](C4=O)NC(=O)C(NC3=O)CC(C)C)O)CC5=CC=CC=C5)C)CC6=CC=C(C=C6)O)C(C)C)C
+CH$IUPAC: InChI=1S/C61H87N9O15/c1-10-17-47(72)68-29-15-21-43(68)54(76)65-52(36(7)84-60(82)44-22-16-30-69(44)48(73)18-11-2)57(79)66-51-37(8)85-61(83)50(35(5)6)64-55(77)45(32-39-23-25-40(71)26-24-39)67(9)59(81)46(33-38-19-13-12-14-20-38)70-49(74)28-27-41(58(70)80)62-53(75)42(31-34(3)4)63-56(51)78/h12-14,19-20,23-26,34-37,41-46,49-52,71,74H,10-11,15-18,21-22,27-33H2,1-9H3,(H,62,75)(H,63,78)(H,64,77)(H,65,76)(H,66,79)/t36-,37-,41+,42?,43+,44+,45+,46+,49-,50+,51+,52+/m1/s1
+CH$LINK: PUBCHEM CID:164887590
+CH$LINK: INCHIKEY MLONDHJIZVGDPO-FGPZQASWSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 81-1225
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.962 min
+MS$FOCUSED_ION: BASE_PEAK 1184.6247
+MS$FOCUSED_ION: PRECURSOR_M/Z 1184.6249
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 652805035.5
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03di-0900000000-d3d991b6c40aa5e15ae1
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  83.0237 CHN5- 1 83.0237 -0.87
+  84.0077 CN4O- 1 84.0078 -0.61
+  85.0394 CH3N5- 1 85.0394 0.23
+  87.055 CH5N5- 1 87.055 -0.23
+  93.0333 C4H3N3- 1 93.0332 0.68
+  97.0394 C2H3N5- 1 97.0394 0.14
+  99.0187 CHN5O- 1 99.0187 0.48
+  99.0548 C2H5N5- 1 99.055 -2.69
+  107.0487 C5H5N3- 1 107.0489 -1.65
+  108.0078 C3N4O- 1 108.0078 0.27
+  111.0187 C2HN5O- 1 111.0187 0.27
+  111.0553 C3H5N5- 1 111.055 2.26
+  112.0266 C2H2N5O- 1 112.0265 0.8
+  112.0754 C4H8N4- 1 112.0754 -0.39
+  113.0344 C2H3N5O- 1 113.0343 0.8
+  113.0707 C3H7N5- 1 113.0707 0.18
+  114.0547 C3H6N4O- 1 114.0547 -0.03
+  116.0704 C3H8N4O- 1 116.0704 -0.03
+  119.0489 C6H5N3- 1 119.0489 0.42
+  125.0344 C3H3N5O- 1 125.0343 0.35
+  127.0501 C3H5N5O- 1 127.05 0.96
+  129.1021 C4H11N5- 1 129.102 0.46
+  137.0709 C5H7N5- 1 137.0707 1.59
+  139.05 C4H5N5O- 1 139.05 0.1
+  139.0865 C5H9N5- 1 139.0863 1.25
+  141.102 C5H11N5- 1 141.102 -0.27
+  143.1179 C5H13N5- 1 143.1176 1.88
+  147.0443 C7H5N3O- 1 147.0438 3.49
+  151.0863 C6H9N5- 1 151.0863 -0.01
+  153.102 C6H11N5- 1 153.102 0.06
+  155.0812 C5H9N5O- 1 155.0813 -0.2
+  155.1176 C6H13N5- 1 155.1176 -0.36
+  160.0754 C8H8N4- 1 160.0754 -0.08
+  162.0549 C7H6N4O- 1 162.0547 1
+  165.0654 C6H7N5O- 1 165.0656 -1.18
+  167.0811 C6H9N5O- 1 167.0813 -1.17
+  168.0402 C4H4N6O2- 1 168.0401 0.31
+  168.1129 C6H12N6- 1 168.1129 -0.07
+  169.0968 C6H11N5O- 1 169.0969 -0.89
+  170.0916 C5H10N6O- 3 170.0922 -3.16
+  181.0968 C7H11N5O- 1 181.0969 -0.39
+  186.1234 C6H14N6O- 1 186.1235 -0.58
+  196.1079 C7H12N6O- 1 196.1078 0.23
+  198.1239 C7H14N6O- 2 198.1235 2.18
+  200.1389 C7H16N6O- 1 200.1391 -1.02
+  203.0817 C9H9N5O- 2 203.0813 2.09
+  212.1027 C7H12N6O2- 1 212.1027 0.1
+  220.1076 C9H12N6O- 1 220.1078 -0.82
+  281.1252 C11H21O8- 3 281.1242 3.73
+PK$NUM_PEAK: 49
+PK$PEAK: m/z int. rel.int.
+  83.0237 1510127.1 19
+  84.0077 1153900.5 14
+  85.0394 3960973.5 50
+  87.055 1016568.9 13
+  93.0333 1260787.6 16
+  97.0394 1499819.4 19
+  99.0187 7888479.5 100
+  99.0548 1156359 14
+  107.0487 1281871.8 16
+  108.0078 1041348.5 13
+  111.0187 4303221 55
+  111.0553 1022205.5 13
+  112.0266 4165162 53
+  112.0754 861121.8 11
+  113.0344 2936036.8 37
+  113.0707 8484419 108
+  114.0547 78107704 999
+  116.0704 9630557 123
+  119.0489 9976644 127
+  125.0344 16876760 215
+  127.0501 1682990.1 21
+  129.1021 4189510.5 53
+  137.0709 941568.4 12
+  139.05 991953.5 12
+  139.0865 2527598.8 32
+  141.102 2261658.5 28
+  143.1179 854629.8 10
+  147.0443 989693.2 12
+  151.0863 2506186.8 32
+  153.102 4119451.8 52
+  155.0812 3634407 46
+  155.1176 848895.6 10
+  160.0754 10768550 137
+  162.0549 1723875.5 22
+  165.0654 961781.1 12
+  167.0811 1215557.5 15
+  168.0402 1357460.5 17
+  168.1129 3488310 44
+  169.0968 6476187.5 82
+  170.0916 1607912.9 20
+  181.0968 1165659.1 14
+  186.1234 14987995 191
+  196.1079 1354211 17
+  198.1239 863384.3 11
+  200.1389 987582.6 12
+  203.0817 1783291.9 22
+  212.1027 2120027.5 27
+  220.1076 794951.9 10
+  281.1252 1118603.4 14
+//
diff --git a/Eawag/MSBNK-MLU-ED227358.txt b/Eawag/MSBNK-MLU-ED227358.txt
new file mode 100644
index 0000000000..65e11742f0
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED227358.txt
@@ -0,0 +1,112 @@
+ACCESSION: MSBNK-MLU-ED227358
+RECORD_TITLE: Rivulariapeptolide 1185; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], W. H. Gerwick [dtc], R. Reher [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2273
+CH$NAME: Rivulariapeptolide 1185
+CH$NAME: [(2R,3S)-4-[[(2S,5S,8S,11R,12S,18S,21R)-2-benzyl-21-hydroxy-5-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-15-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-3-[[(2S)-1-butanoylpyrrolidine-2-carbonyl]amino]-4-oxobutan-2-yl] (2S)-1-butanoylpyrrolidine-2-carboxylate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C61H87N9O15
+CH$EXACT_MASS: 1185.632163
+CH$SMILES: CCCC(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)OC(=O)[C@@H]2CCCN2C(=O)CCC)C(=O)N[C@H]3[C@H](OC(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](N4[C@@H](CC[C@@H](C4=O)NC(=O)C(NC3=O)CC(C)C)O)CC5=CC=CC=C5)C)CC6=CC=C(C=C6)O)C(C)C)C
+CH$IUPAC: InChI=1S/C61H87N9O15/c1-10-17-47(72)68-29-15-21-43(68)54(76)65-52(36(7)84-60(82)44-22-16-30-69(44)48(73)18-11-2)57(79)66-51-37(8)85-61(83)50(35(5)6)64-55(77)45(32-39-23-25-40(71)26-24-39)67(9)59(81)46(33-38-19-13-12-14-20-38)70-49(74)28-27-41(58(70)80)62-53(75)42(31-34(3)4)63-56(51)78/h12-14,19-20,23-26,34-37,41-46,49-52,71,74H,10-11,15-18,21-22,27-33H2,1-9H3,(H,62,75)(H,63,78)(H,64,77)(H,65,76)(H,66,79)/t36-,37-,41+,42?,43+,44+,45+,46+,49-,50+,51+,52+/m1/s1
+CH$LINK: PUBCHEM CID:164887590
+CH$LINK: INCHIKEY MLONDHJIZVGDPO-FGPZQASWSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 81-1225
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.962 min
+MS$FOCUSED_ION: BASE_PEAK 1184.6247
+MS$FOCUSED_ION: PRECURSOR_M/Z 1184.6249
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 652805035.5
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03di-0900000000-d0889e6acf28699daa5e
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  83.0237 CHN5- 1 83.0237 -0.5
+  84.0077 CN4O- 1 84.0078 -1.15
+  85.0394 CH3N5- 1 85.0394 -0.13
+  87.0549 CH5N5- 1 87.055 -1.63
+  93.0333 C4H3N3- 1 93.0332 0.6
+  95.0236 C2HN5- 1 95.0237 -1.33
+  97.0394 C2H3N5- 1 97.0394 0.38
+  99.0187 CHN5O- 1 99.0187 0.71
+  107.0488 C5H5N3- 1 107.0489 -0.44
+  108.0077 C3N4O- 1 108.0078 -1
+  108.0315 C3H2N5- 1 108.0316 -0.77
+  110.0108 C2N5O- 1 110.0108 -0.6
+  111.0187 C2HN5O- 1 111.0187 0.41
+  111.0552 C3H5N5- 1 111.055 1.71
+  112.0266 C2H2N5O- 1 112.0265 0.66
+  112.0754 C4H8N4- 1 112.0754 -0.19
+  113.0344 C2H3N5O- 1 113.0343 0.8
+  113.0707 C3H7N5- 1 113.0707 0.11
+  114.0547 C3H6N4O- 1 114.0547 -0.09
+  116.0704 C3H8N4O- 1 116.0704 0.1
+  119.0489 C6H5N3- 1 119.0489 0.29
+  125.0344 C3H3N5O- 1 125.0343 0.6
+  127.05 C3H5N5O- 1 127.05 0.36
+  129.1021 C4H11N5- 1 129.102 1.17
+  139.0864 C5H9N5- 1 139.0863 0.37
+  141.102 C5H11N5- 1 141.102 0.38
+  143.1176 C5H13N5- 1 143.1176 -0.25
+  151.0864 C6H9N5- 1 151.0863 0.7
+  153.102 C6H11N5- 1 153.102 -0.04
+  155.0814 C5H9N5O- 1 155.0813 0.98
+  160.0756 C8H8N4- 1 160.0754 0.96
+  168.0397 C4H4N6O2- 1 168.0401 -2.59
+  168.1128 C6H12N6- 1 168.1129 -0.61
+  169.0967 C6H11N5O- 1 169.0969 -1.07
+  186.1234 C6H14N6O- 1 186.1235 -0.25
+PK$NUM_PEAK: 35
+PK$PEAK: m/z int. rel.int.
+  83.0237 1172840.8 17
+  84.0077 809929.2 12
+  85.0394 2114636.8 32
+  87.0549 827362.3 12
+  93.0333 1255453.9 19
+  95.0236 1188171.6 18
+  97.0394 1417396.9 21
+  99.0187 5196436.5 79
+  107.0488 1052455.2 16
+  108.0077 1062832.6 16
+  108.0315 897212.9 13
+  110.0108 865539 13
+  111.0187 3829129 58
+  111.0552 759674.7 11
+  112.0266 4214335 64
+  112.0754 726346.1 11
+  113.0344 1805790.5 27
+  113.0707 5735192 87
+  114.0547 65113764 999
+  116.0704 5912760.5 90
+  119.0489 9102266 139
+  125.0344 10856405 166
+  127.05 1237064.6 18
+  129.1021 2586959.2 39
+  139.0864 2365864 36
+  141.102 1625243.5 24
+  143.1176 679085.6 10
+  151.0864 1752468.9 26
+  153.102 2300691.8 35
+  155.0814 1998076 30
+  160.0756 3583973.8 54
+  168.0397 987948.5 15
+  168.1128 2329088.8 35
+  169.0967 3222545 49
+  186.1234 5174502 79
+//
diff --git a/Eawag/MSBNK-MLU-ED227359.txt b/Eawag/MSBNK-MLU-ED227359.txt
new file mode 100644
index 0000000000..7d1a5e1ea6
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED227359.txt
@@ -0,0 +1,96 @@
+ACCESSION: MSBNK-MLU-ED227359
+RECORD_TITLE: Rivulariapeptolide 1185; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], W. H. Gerwick [dtc], R. Reher [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2273
+CH$NAME: Rivulariapeptolide 1185
+CH$NAME: [(2R,3S)-4-[[(2S,5S,8S,11R,12S,18S,21R)-2-benzyl-21-hydroxy-5-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-15-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-3-[[(2S)-1-butanoylpyrrolidine-2-carbonyl]amino]-4-oxobutan-2-yl] (2S)-1-butanoylpyrrolidine-2-carboxylate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C61H87N9O15
+CH$EXACT_MASS: 1185.632163
+CH$SMILES: CCCC(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)OC(=O)[C@@H]2CCCN2C(=O)CCC)C(=O)N[C@H]3[C@H](OC(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](N4[C@@H](CC[C@@H](C4=O)NC(=O)C(NC3=O)CC(C)C)O)CC5=CC=CC=C5)C)CC6=CC=C(C=C6)O)C(C)C)C
+CH$IUPAC: InChI=1S/C61H87N9O15/c1-10-17-47(72)68-29-15-21-43(68)54(76)65-52(36(7)84-60(82)44-22-16-30-69(44)48(73)18-11-2)57(79)66-51-37(8)85-61(83)50(35(5)6)64-55(77)45(32-39-23-25-40(71)26-24-39)67(9)59(81)46(33-38-19-13-12-14-20-38)70-49(74)28-27-41(58(70)80)62-53(75)42(31-34(3)4)63-56(51)78/h12-14,19-20,23-26,34-37,41-46,49-52,71,74H,10-11,15-18,21-22,27-33H2,1-9H3,(H,62,75)(H,63,78)(H,64,77)(H,65,76)(H,66,79)/t36-,37-,41+,42?,43+,44+,45+,46+,49-,50+,51+,52+/m1/s1
+CH$LINK: PUBCHEM CID:164887590
+CH$LINK: INCHIKEY MLONDHJIZVGDPO-FGPZQASWSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 81-1225
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.962 min
+MS$FOCUSED_ION: BASE_PEAK 1184.6247
+MS$FOCUSED_ION: PRECURSOR_M/Z 1184.6249
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 652805035.5
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03di-0900000000-cafe087dfa1c4360ad23
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  84.0078 CN4O- 1 84.0078 0.57
+  87.055 CH5N5- 1 87.055 -0.58
+  93.0332 C4H3N3- 1 93.0332 0.03
+  95.0237 C2HN5- 1 95.0237 -0.52
+  99.0187 CHN5O- 1 99.0187 0.17
+  107.0488 C5H5N3- 1 107.0489 -0.94
+  108.008 C3N4O- 1 108.0078 1.96
+  108.0316 C3H2N5- 1 108.0316 0.57
+  110.0109 C2N5O- 1 110.0108 1
+  111.0187 C2HN5O- 1 111.0187 0.55
+  111.0553 C3H5N5- 1 111.055 1.91
+  112.0265 C2H2N5O- 1 112.0265 0.25
+  112.0755 C4H8N4- 1 112.0754 0.22
+  113.0344 C2H3N5O- 1 113.0343 1.2
+  114.0547 C3H6N4O- 1 114.0547 -0.03
+  116.0705 C3H8N4O- 1 116.0704 1.08
+  119.0489 C6H5N3- 1 119.0489 0.29
+  125.0344 C3H3N5O- 1 125.0343 0.48
+  129.1017 C4H11N5- 1 129.102 -2.02
+  141.1024 C5H11N5- 1 141.102 2.54
+  151.0864 C6H9N5- 1 151.0863 0.19
+  153.1017 C6H11N5- 1 153.102 -1.73
+  155.0813 C5H9N5O- 1 155.0813 0
+  160.0758 C8H8N4- 1 160.0754 2.11
+  168.0403 C4H4N6O2- 1 168.0401 0.95
+  168.1133 C6H12N6- 1 168.1129 2.48
+  186.1229 C6H14N6O- 3 186.1235 -2.79
+PK$NUM_PEAK: 27
+PK$PEAK: m/z int. rel.int.
+  84.0078 438445.5 10
+  87.055 964634.4 23
+  93.0332 1297171 31
+  95.0237 959236.2 23
+  99.0187 2292952.5 55
+  107.0488 803646.9 19
+  108.008 740986.7 17
+  108.0316 964100.8 23
+  110.0109 1467129.4 35
+  111.0187 2366391 57
+  111.0553 463913.9 11
+  112.0265 2494558.2 60
+  112.0755 652834.6 15
+  113.0344 1178788.5 28
+  114.0547 41309940 999
+  116.0705 2069287.8 50
+  119.0489 7526091 182
+  125.0344 5223042 126
+  129.1017 1088423 26
+  141.1024 623290.2 15
+  151.0864 839360.9 20
+  153.1017 904391.4 21
+  155.0813 778132.9 18
+  160.0758 904091.9 21
+  168.0403 456885.2 11
+  168.1133 1063143.6 25
+  186.1229 872292.4 21
+//
diff --git a/Eawag/MSBNK-MLU-ED227501.txt b/Eawag/MSBNK-MLU-ED227501.txt
new file mode 100644
index 0000000000..8ce202c339
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED227501.txt
@@ -0,0 +1,62 @@
+ACCESSION: MSBNK-MLU-ED227501
+RECORD_TITLE: Rivulariapeptolide 1121; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], W. H. Gerwick [dtc], R. Reher [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2275
+CH$NAME: Rivulariapeptolide 1121
+CH$NAME: [(2S,3S)-3-[(1-butanoylpyrrolidine-2-carbonyl)amino]-4-[[(2S,5S,8S,11R,12S,15E,18S,21R)-15-ethylidene-21-hydroxy-5-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-2-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-4-oxobutan-2-yl] 1-butanoylpyrrolidine-2-carboxylate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C56H83N9O15
+CH$EXACT_MASS: 1121.600863
+CH$SMILES: CC(C)[C@H](NC([C@H](CC1=CC=C(O)C=C1)N(C)C([C@H](CC(C)C)N2[C@H](O)CC[C@H](NC(/C(NC3=O)=C\C)=O)C2=O)=O)=O)C(O[C@H](C)[C@@H]3NC([C@H]([C@@H](OC(C4N(C(CCC)=O)CCC4)=O)C)NC(C5CCCN5C(CCC)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C56H83N9O15/c1-11-16-42(67)63-26-14-18-38(63)49(71)60-47(32(8)79-55(77)39-19-15-27-64(39)43(68)17-12-2)52(74)61-46-33(9)80-56(78)45(31(6)7)59-50(72)40(29-34-20-22-35(66)23-21-34)62(10)54(76)41(28-30(4)5)65-44(69)25-24-37(53(65)75)58-48(70)36(13-3)57-51(46)73/h13,20-23,30-33,37-41,44-47,66,69H,11-12,14-19,24-29H2,1-10H3,(H,57,73)(H,58,70)(H,59,72)(H,60,71)(H,61,74)/b36-13+/t32-,33+,37-,38?,39?,40-,41-,44+,45-,46-,47-/m0/s1
+CH$LINK: PUBCHEM CID:154585468
+CH$LINK: INCHIKEY NSLGLRCZEMNFTE-BSTXMPBESA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 77-1165
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.497 min
+MS$FOCUSED_ION: BASE_PEAK 1104.5974
+MS$FOCUSED_ION: PRECURSOR_M/Z 1122.6081
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 477508354.25
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0udi-0900101000-96d94a0bd54c9a96a617
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  168.1015 C9H14NO2+ 1 168.1019 -2.32
+  386.2081 C8H36NO15+ 7 386.2079 0.32
+  436.2443 C22H34N3O6+ 6 436.2442 0.24
+  469.2447 C25H33N4O5+ 9 469.2445 0.25
+  519.2813 C26H39N4O7+ 8 519.2813 -0.01
+  602.3186 C30H44N5O8+ 10 602.3184 0.19
+  669.3608 C34H49N6O8+ 10 669.3606 0.27
+  719.397 C49H53NO4+ 13 719.3969 0.15
+  896.477 C45H66N7O12+ 8 896.4764 0.66
+  1104.5977 C56H82N9O14+ 1 1104.5976 0.1
+PK$NUM_PEAK: 10
+PK$PEAK: m/z int. rel.int.
+  168.1015 2793181.5 13
+  386.2081 14551786 68
+  436.2443 25920172 122
+  469.2447 6537759 30
+  519.2813 2977579.5 14
+  602.3186 19029956 89
+  669.3608 8470600 39
+  719.397 6235633.5 29
+  896.477 3965641.5 18
+  1104.5977 211667152 999
+//
diff --git a/Eawag/MSBNK-MLU-ED227502.txt b/Eawag/MSBNK-MLU-ED227502.txt
new file mode 100644
index 0000000000..b50c65e9e6
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED227502.txt
@@ -0,0 +1,82 @@
+ACCESSION: MSBNK-MLU-ED227502
+RECORD_TITLE: Rivulariapeptolide 1121; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], W. H. Gerwick [dtc], R. Reher [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2275
+CH$NAME: Rivulariapeptolide 1121
+CH$NAME: [(2S,3S)-3-[(1-butanoylpyrrolidine-2-carbonyl)amino]-4-[[(2S,5S,8S,11R,12S,15E,18S,21R)-15-ethylidene-21-hydroxy-5-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-2-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-4-oxobutan-2-yl] 1-butanoylpyrrolidine-2-carboxylate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C56H83N9O15
+CH$EXACT_MASS: 1121.600863
+CH$SMILES: CC(C)[C@H](NC([C@H](CC1=CC=C(O)C=C1)N(C)C([C@H](CC(C)C)N2[C@H](O)CC[C@H](NC(/C(NC3=O)=C\C)=O)C2=O)=O)=O)C(O[C@H](C)[C@@H]3NC([C@H]([C@@H](OC(C4N(C(CCC)=O)CCC4)=O)C)NC(C5CCCN5C(CCC)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C56H83N9O15/c1-11-16-42(67)63-26-14-18-38(63)49(71)60-47(32(8)79-55(77)39-19-15-27-64(39)43(68)17-12-2)52(74)61-46-33(9)80-56(78)45(31(6)7)59-50(72)40(29-34-20-22-35(66)23-21-34)62(10)54(76)41(28-30(4)5)65-44(69)25-24-37(53(65)75)58-48(70)36(13-3)57-51(46)73/h13,20-23,30-33,37-41,44-47,66,69H,11-12,14-19,24-29H2,1-10H3,(H,57,73)(H,58,70)(H,59,72)(H,60,71)(H,61,74)/b36-13+/t32-,33+,37-,38?,39?,40-,41-,44+,45-,46-,47-/m0/s1
+CH$LINK: PUBCHEM CID:154585468
+CH$LINK: INCHIKEY NSLGLRCZEMNFTE-BSTXMPBESA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 77-1165
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.497 min
+MS$FOCUSED_ION: BASE_PEAK 1104.5974
+MS$FOCUSED_ION: PRECURSOR_M/Z 1122.6081
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 477508354.25
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0f79-0927802010-1e04c375e2d1cb2dbd3f
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  140.1066 C8H14NO+ 1 140.107 -2.75
+  150.0912 C9H12NO+ 1 150.0913 -1.19
+  168.1017 C9H14NO2+ 1 168.1019 -1.42
+  181.1334 C10H17N2O+ 1 181.1335 -1.02
+  209.1282 C11H17N2O2+ 1 209.1285 -1.13
+  223.1436 C12H19N2O2+ 2 223.1441 -2.08
+  241.1541 C12H21N2O3+ 2 241.1547 -2.2
+  251.1386 C13H19N2O3+ 3 251.139 -1.8
+  295.1656 CH25N7O10+ 5 295.1657 -0.48
+  334.1767 C4H32NO15+ 7 334.1766 0.18
+  386.208 C8H36NO15+ 7 386.2079 0.24
+  408.2493 C21H34N3O5+ 7 408.2493 0.12
+  417.2134 C21H29N4O5+ 8 417.2132 0.4
+  436.2443 C22H34N3O6+ 6 436.2442 0.24
+  469.2446 C25H33N4O5+ 9 469.2445 0.18
+  519.2813 C26H39N4O7+ 8 519.2813 -0.01
+  602.3184 C30H44N5O8+ 10 602.3184 -0.11
+  669.3614 C34H49N6O8+ 10 669.3606 1.09
+  896.4757 C45H66N7O12+ 9 896.4764 -0.77
+  1104.5977 C56H82N9O14+ 1 1104.5976 0.1
+PK$NUM_PEAK: 20
+PK$PEAK: m/z int. rel.int.
+  140.1066 6233111.5 93
+  150.0912 10399855 156
+  168.1017 23522390 353
+  181.1334 2554481.5 38
+  209.1282 10380213 155
+  223.1436 6330773 95
+  241.1541 2512676 37
+  251.1386 7232881 108
+  295.1656 1483757.2 22
+  334.1767 13184054 198
+  386.208 66496704 999
+  408.2493 7450679.5 111
+  417.2134 6980153 104
+  436.2443 59530112 894
+  469.2446 14637654 219
+  519.2813 1024587.5 15
+  602.3184 16810490 252
+  669.3614 5502476 82
+  896.4757 11217453 168
+  1104.5977 52455184 788
+//
diff --git a/Eawag/MSBNK-MLU-ED227503.txt b/Eawag/MSBNK-MLU-ED227503.txt
new file mode 100644
index 0000000000..0a894d5ebb
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED227503.txt
@@ -0,0 +1,90 @@
+ACCESSION: MSBNK-MLU-ED227503
+RECORD_TITLE: Rivulariapeptolide 1121; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], W. H. Gerwick [dtc], R. Reher [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2275
+CH$NAME: Rivulariapeptolide 1121
+CH$NAME: [(2S,3S)-3-[(1-butanoylpyrrolidine-2-carbonyl)amino]-4-[[(2S,5S,8S,11R,12S,15E,18S,21R)-15-ethylidene-21-hydroxy-5-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-2-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-4-oxobutan-2-yl] 1-butanoylpyrrolidine-2-carboxylate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C56H83N9O15
+CH$EXACT_MASS: 1121.600863
+CH$SMILES: CC(C)[C@H](NC([C@H](CC1=CC=C(O)C=C1)N(C)C([C@H](CC(C)C)N2[C@H](O)CC[C@H](NC(/C(NC3=O)=C\C)=O)C2=O)=O)=O)C(O[C@H](C)[C@@H]3NC([C@H]([C@@H](OC(C4N(C(CCC)=O)CCC4)=O)C)NC(C5CCCN5C(CCC)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C56H83N9O15/c1-11-16-42(67)63-26-14-18-38(63)49(71)60-47(32(8)79-55(77)39-19-15-27-64(39)43(68)17-12-2)52(74)61-46-33(9)80-56(78)45(31(6)7)59-50(72)40(29-34-20-22-35(66)23-21-34)62(10)54(76)41(28-30(4)5)65-44(69)25-24-37(53(65)75)58-48(70)36(13-3)57-51(46)73/h13,20-23,30-33,37-41,44-47,66,69H,11-12,14-19,24-29H2,1-10H3,(H,57,73)(H,58,70)(H,59,72)(H,60,71)(H,61,74)/b36-13+/t32-,33+,37-,38?,39?,40-,41-,44+,45-,46-,47-/m0/s1
+CH$LINK: PUBCHEM CID:154585468
+CH$LINK: INCHIKEY NSLGLRCZEMNFTE-BSTXMPBESA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 77-1165
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.497 min
+MS$FOCUSED_ION: BASE_PEAK 1104.5974
+MS$FOCUSED_ION: PRECURSOR_M/Z 1122.6081
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 477508354.25
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0fri-0954300000-8b729f573bf84f10d334
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  86.0963 C5H12N+ 1 86.0964 -1.03
+  140.1068 C8H14NO+ 1 140.107 -1.12
+  150.0912 C9H12NO+ 1 150.0913 -0.68
+  153.1384 C9H17N2+ 1 153.1386 -1.76
+  168.1018 C9H14NO2+ 1 168.1019 -0.87
+  181.1333 C10H17N2O+ 1 181.1335 -1.18
+  186.1123 C9H16NO3+ 1 186.1125 -0.65
+  209.1282 C11H17N2O2+ 1 209.1285 -1.27
+  223.1437 C12H19N2O2+ 2 223.1441 -1.67
+  241.1541 C12H21N2O3+ 2 241.1547 -2.2
+  251.1386 C13H19N2O3+ 3 251.139 -1.56
+  264.1702 C14H22N3O2+ 4 264.1707 -1.54
+  274.1434 C16H20NO3+ 5 274.1438 -1.18
+  292.1658 C15H22N3O3+ 5 292.1656 0.8
+  295.1656 CH25N7O10+ 5 295.1657 -0.48
+  334.1767 C4H32NO15+ 7 334.1766 0.09
+  386.2081 C8H36NO15+ 7 386.2079 0.32
+  408.2494 C21H34N3O5+ 7 408.2493 0.19
+  417.2133 C21H29N4O5+ 8 417.2132 0.03
+  436.2443 C22H34N3O6+ 6 436.2442 0.24
+  469.2446 C25H33N4O5+ 9 469.2445 0.12
+  602.319 C30H44N5O8+ 9 602.3184 0.9
+  719.397 C49H53NO4+ 14 719.3969 0.07
+  1104.5983 C56H82N9O14+ 1 1104.5976 0.66
+PK$NUM_PEAK: 24
+PK$PEAK: m/z int. rel.int.
+  86.0963 3421856.8 49
+  140.1068 27031904 389
+  150.0912 40220868 580
+  153.1384 3443588 49
+  168.1018 69267160 999
+  181.1333 14911703 215
+  186.1123 700899.6 10
+  209.1282 42552492 613
+  223.1437 16834566 242
+  241.1541 6963015 100
+  251.1386 18256176 263
+  264.1702 3186632 45
+  274.1434 3711156.8 53
+  292.1658 8267068.5 119
+  295.1656 5177920.5 74
+  334.1767 9657423 139
+  386.2081 64334680 927
+  408.2494 10961550 158
+  417.2133 12523018 180
+  436.2443 34792688 501
+  469.2446 10288981 148
+  602.319 2871756 41
+  719.397 1605341.4 23
+  1104.5983 2318732.5 33
+//
diff --git a/Eawag/MSBNK-MLU-ED227504.txt b/Eawag/MSBNK-MLU-ED227504.txt
new file mode 100644
index 0000000000..893c822a0e
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED227504.txt
@@ -0,0 +1,88 @@
+ACCESSION: MSBNK-MLU-ED227504
+RECORD_TITLE: Rivulariapeptolide 1121; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], W. H. Gerwick [dtc], R. Reher [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2275
+CH$NAME: Rivulariapeptolide 1121
+CH$NAME: [(2S,3S)-3-[(1-butanoylpyrrolidine-2-carbonyl)amino]-4-[[(2S,5S,8S,11R,12S,15E,18S,21R)-15-ethylidene-21-hydroxy-5-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-2-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-4-oxobutan-2-yl] 1-butanoylpyrrolidine-2-carboxylate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C56H83N9O15
+CH$EXACT_MASS: 1121.600863
+CH$SMILES: CC(C)[C@H](NC([C@H](CC1=CC=C(O)C=C1)N(C)C([C@H](CC(C)C)N2[C@H](O)CC[C@H](NC(/C(NC3=O)=C\C)=O)C2=O)=O)=O)C(O[C@H](C)[C@@H]3NC([C@H]([C@@H](OC(C4N(C(CCC)=O)CCC4)=O)C)NC(C5CCCN5C(CCC)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C56H83N9O15/c1-11-16-42(67)63-26-14-18-38(63)49(71)60-47(32(8)79-55(77)39-19-15-27-64(39)43(68)17-12-2)52(74)61-46-33(9)80-56(78)45(31(6)7)59-50(72)40(29-34-20-22-35(66)23-21-34)62(10)54(76)41(28-30(4)5)65-44(69)25-24-37(53(65)75)58-48(70)36(13-3)57-51(46)73/h13,20-23,30-33,37-41,44-47,66,69H,11-12,14-19,24-29H2,1-10H3,(H,57,73)(H,58,70)(H,59,72)(H,60,71)(H,61,74)/b36-13+/t32-,33+,37-,38?,39?,40-,41-,44+,45-,46-,47-/m0/s1
+CH$LINK: PUBCHEM CID:154585468
+CH$LINK: INCHIKEY NSLGLRCZEMNFTE-BSTXMPBESA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 77-1165
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.497 min
+MS$FOCUSED_ION: BASE_PEAK 1104.5974
+MS$FOCUSED_ION: PRECURSOR_M/Z 1122.6081
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 477508354.25
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0ldl-0940000000-d05db830a574c299bf6c
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  86.0964 C5H12N+ 1 86.0964 -0.23
+  124.1119 C8H14N+ 1 124.1121 -1.45
+  140.1069 C8H14NO+ 1 140.107 -0.79
+  150.0913 C9H12NO+ 1 150.0913 -0.58
+  153.1385 C9H17N2+ 1 153.1386 -0.77
+  168.1018 C9H14NO2+ 1 168.1019 -0.87
+  179.0811 C9H11N2O2+ 1 179.0815 -2.43
+  181.1333 C10H17N2O+ 1 181.1335 -1.18
+  186.1127 C9H16NO3+ 1 186.1125 1.31
+  209.1282 C11H17N2O2+ 1 209.1285 -1.27
+  223.1437 C12H19N2O2+ 2 223.1441 -1.74
+  241.1542 C12H21N2O3+ 2 241.1547 -2.14
+  251.1386 C13H19N2O3+ 3 251.139 -1.5
+  264.1703 C14H22N3O2+ 4 264.1707 -1.19
+  274.1436 C16H20NO3+ 5 274.1438 -0.51
+  292.1657 C15H22N3O3+ 5 292.1656 0.59
+  295.1655 CH25N7O10+ 5 295.1657 -0.79
+  334.1769 C4H32NO15+ 7 334.1766 0.64
+  386.208 C8H36NO15+ 8 386.2079 0.16
+  408.2495 C21H34N3O5+ 7 408.2493 0.57
+  417.2134 C21H29N4O5+ 8 417.2132 0.25
+  436.2443 C22H34N3O6+ 6 436.2442 0.31
+  469.2448 C25H33N4O5+ 8 469.2445 0.51
+PK$NUM_PEAK: 23
+PK$PEAK: m/z int. rel.int.
+  86.0964 7919513 106
+  124.1119 1535103.5 20
+  140.1069 47999012 647
+  150.0913 49017564 661
+  153.1385 7611691 102
+  168.1018 74004648 999
+  179.0811 2437186 32
+  181.1333 28914458 390
+  186.1127 973453.9 13
+  209.1282 47768148 644
+  223.1437 13101449 176
+  241.1542 4853145 65
+  251.1386 17185676 231
+  264.1703 6471513 87
+  274.1436 5591161 75
+  292.1657 7862079.5 106
+  295.1655 4784476.5 64
+  334.1769 3625451.2 48
+  386.208 19201136 259
+  408.2495 4131032.8 55
+  417.2134 8867852 119
+  436.2443 6536325 88
+  469.2448 2563171.5 34
+//
diff --git a/Eawag/MSBNK-MLU-ED227505.txt b/Eawag/MSBNK-MLU-ED227505.txt
new file mode 100644
index 0000000000..f2d95a8d50
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED227505.txt
@@ -0,0 +1,92 @@
+ACCESSION: MSBNK-MLU-ED227505
+RECORD_TITLE: Rivulariapeptolide 1121; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], W. H. Gerwick [dtc], R. Reher [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2275
+CH$NAME: Rivulariapeptolide 1121
+CH$NAME: [(2S,3S)-3-[(1-butanoylpyrrolidine-2-carbonyl)amino]-4-[[(2S,5S,8S,11R,12S,15E,18S,21R)-15-ethylidene-21-hydroxy-5-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-2-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-4-oxobutan-2-yl] 1-butanoylpyrrolidine-2-carboxylate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C56H83N9O15
+CH$EXACT_MASS: 1121.600863
+CH$SMILES: CC(C)[C@H](NC([C@H](CC1=CC=C(O)C=C1)N(C)C([C@H](CC(C)C)N2[C@H](O)CC[C@H](NC(/C(NC3=O)=C\C)=O)C2=O)=O)=O)C(O[C@H](C)[C@@H]3NC([C@H]([C@@H](OC(C4N(C(CCC)=O)CCC4)=O)C)NC(C5CCCN5C(CCC)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C56H83N9O15/c1-11-16-42(67)63-26-14-18-38(63)49(71)60-47(32(8)79-55(77)39-19-15-27-64(39)43(68)17-12-2)52(74)61-46-33(9)80-56(78)45(31(6)7)59-50(72)40(29-34-20-22-35(66)23-21-34)62(10)54(76)41(28-30(4)5)65-44(69)25-24-37(53(65)75)58-48(70)36(13-3)57-51(46)73/h13,20-23,30-33,37-41,44-47,66,69H,11-12,14-19,24-29H2,1-10H3,(H,57,73)(H,58,70)(H,59,72)(H,60,71)(H,61,74)/b36-13+/t32-,33+,37-,38?,39?,40-,41-,44+,45-,46-,47-/m0/s1
+CH$LINK: PUBCHEM CID:154585468
+CH$LINK: INCHIKEY NSLGLRCZEMNFTE-BSTXMPBESA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 77-1165
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.497 min
+MS$FOCUSED_ION: BASE_PEAK 1104.5974
+MS$FOCUSED_ION: PRECURSOR_M/Z 1122.6081
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 477508354.25
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0uec-1910000000-a3914b1fbd0d6c4d7fda
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  86.0964 C5H12N+ 1 86.0964 -0.23
+  91.0542 C7H7+ 1 91.0542 -0.33
+  112.112 C7H14N+ 1 112.1121 -0.66
+  121.0649 C8H9O+ 1 121.0648 0.87
+  124.1121 C8H14N+ 1 124.1121 0.03
+  135.0679 C8H9NO+ 1 135.0679 0.06
+  136.0753 C8H10NO+ 1 136.0757 -2.62
+  136.1119 C9H14N+ 1 136.1121 -1.33
+  140.1069 C8H14NO+ 1 140.107 -0.68
+  150.0913 C9H12NO+ 1 150.0913 -0.38
+  153.1027 C8H13N2O+ 1 153.1022 2.88
+  153.1385 C9H17N2+ 1 153.1386 -0.87
+  168.1018 C9H14NO2+ 1 168.1019 -0.69
+  179.0814 C9H11N2O2+ 1 179.0815 -0.73
+  179.1166 C8H13N5+ 1 179.1165 0.16
+  181.0979 C9H13N2O2+ 1 181.0972 4.17
+  181.1333 C10H17N2O+ 1 181.1335 -1.1
+  209.1282 C11H17N2O2+ 1 209.1285 -1.35
+  223.1438 C12H19N2O2+ 2 223.1441 -1.47
+  251.1387 C13H19N2O3+ 3 251.139 -1.38
+  264.1704 C14H22N3O2+ 4 264.1707 -0.96
+  274.1436 C16H20NO3+ 5 274.1438 -0.73
+  292.1656 C15H22N3O3+ 6 292.1656 0.07
+  334.1769 C4H32NO15+ 7 334.1766 0.64
+  417.213 C21H29N4O5+ 8 417.2132 -0.7
+PK$NUM_PEAK: 25
+PK$PEAK: m/z int. rel.int.
+  86.0964 32999324 475
+  91.0542 822039.2 11
+  112.112 1048409.4 15
+  121.0649 714550.8 10
+  124.1121 6170634.5 88
+  135.0679 905657.1 13
+  136.0753 878888.9 12
+  136.1119 2739835.2 39
+  140.1069 69330096 999
+  150.0913 50486528 727
+  153.1027 1443250.2 20
+  153.1385 19396452 279
+  168.1018 34772008 501
+  179.0814 7649528.5 110
+  179.1166 974834.7 14
+  181.0979 5457873 78
+  181.1333 43054124 620
+  209.1282 18268578 263
+  223.1438 7503366 108
+  251.1387 8742361 125
+  264.1704 6044828.5 87
+  274.1436 7083132.5 102
+  292.1656 1993601.2 28
+  334.1769 797911 11
+  417.213 1631144.8 23
+//
diff --git a/Eawag/MSBNK-MLU-ED227506.txt b/Eawag/MSBNK-MLU-ED227506.txt
new file mode 100644
index 0000000000..8ac7b0c618
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED227506.txt
@@ -0,0 +1,112 @@
+ACCESSION: MSBNK-MLU-ED227506
+RECORD_TITLE: Rivulariapeptolide 1121; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], W. H. Gerwick [dtc], R. Reher [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2275
+CH$NAME: Rivulariapeptolide 1121
+CH$NAME: [(2S,3S)-3-[(1-butanoylpyrrolidine-2-carbonyl)amino]-4-[[(2S,5S,8S,11R,12S,15E,18S,21R)-15-ethylidene-21-hydroxy-5-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-2-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-4-oxobutan-2-yl] 1-butanoylpyrrolidine-2-carboxylate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C56H83N9O15
+CH$EXACT_MASS: 1121.600863
+CH$SMILES: CC(C)[C@H](NC([C@H](CC1=CC=C(O)C=C1)N(C)C([C@H](CC(C)C)N2[C@H](O)CC[C@H](NC(/C(NC3=O)=C\C)=O)C2=O)=O)=O)C(O[C@H](C)[C@@H]3NC([C@H]([C@@H](OC(C4N(C(CCC)=O)CCC4)=O)C)NC(C5CCCN5C(CCC)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C56H83N9O15/c1-11-16-42(67)63-26-14-18-38(63)49(71)60-47(32(8)79-55(77)39-19-15-27-64(39)43(68)17-12-2)52(74)61-46-33(9)80-56(78)45(31(6)7)59-50(72)40(29-34-20-22-35(66)23-21-34)62(10)54(76)41(28-30(4)5)65-44(69)25-24-37(53(65)75)58-48(70)36(13-3)57-51(46)73/h13,20-23,30-33,37-41,44-47,66,69H,11-12,14-19,24-29H2,1-10H3,(H,57,73)(H,58,70)(H,59,72)(H,60,71)(H,61,74)/b36-13+/t32-,33+,37-,38?,39?,40-,41-,44+,45-,46-,47-/m0/s1
+CH$LINK: PUBCHEM CID:154585468
+CH$LINK: INCHIKEY NSLGLRCZEMNFTE-BSTXMPBESA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 77-1165
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.497 min
+MS$FOCUSED_ION: BASE_PEAK 1104.5974
+MS$FOCUSED_ION: PRECURSOR_M/Z 1122.6081
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 477508354.25
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0f7c-2900000000-2df4f4fe83c9e2d74314
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  80.0495 C5H6N+ 1 80.0495 0.55
+  84.0444 C4H6NO+ 1 84.0444 -0.25
+  86.0964 C5H12N+ 1 86.0964 -0.14
+  91.0542 C7H7+ 1 91.0542 -0.58
+  94.0648 C6H8N+ 1 94.0651 -3.08
+  107.0491 C7H7O+ 1 107.0491 -0.54
+  112.112 C7H14N+ 1 112.1121 -0.66
+  116.0705 C5H10NO2+ 1 116.0706 -1.2
+  119.0492 C8H7O+ 1 119.0491 0.18
+  121.0649 C8H9O+ 1 121.0648 1
+  124.1121 C8H14N+ 1 124.1121 0.09
+  125.071 C6H9N2O+ 1 125.0709 0.5
+  125.1074 C7H13N2+ 1 125.1073 0.62
+  135.0678 C8H9NO+ 1 135.0679 -0.28
+  136.0758 C8H10NO+ 1 136.0757 0.97
+  136.112 C9H14N+ 1 136.1121 -0.21
+  140.1069 C8H14NO+ 1 140.107 -0.79
+  150.0913 C9H12NO+ 1 150.0913 -0.48
+  151.0866 C8H11N2O+ 1 151.0866 -0.25
+  153.0658 C7H9N2O2+ 1 153.0659 -0.26
+  153.1023 C8H13N2O+ 1 153.1022 0.48
+  153.1385 C9H17N2+ 1 153.1386 -1.07
+  164.1068 C10H14NO+ 1 164.107 -0.87
+  167.0814 C8H11N2O2+ 1 167.0815 -0.7
+  168.1018 C9H14NO2+ 1 168.1019 -0.87
+  174.0912 C11H12NO+ 1 174.0913 -0.65
+  179.0814 C9H11N2O2+ 1 179.0815 -0.56
+  179.1167 C8H13N5+ 1 179.1165 0.93
+  181.0975 C9H13N2O2+ 1 181.0972 1.9
+  181.1333 C10H17N2O+ 1 181.1335 -1.27
+  209.1282 C11H17N2O2+ 1 209.1285 -1.06
+  223.1439 C12H19N2O2+ 1 223.1441 -0.78
+  251.1385 C13H19N2O3+ 3 251.139 -2.23
+  264.1709 C14H22N3O2+ 4 264.1707 0.89
+  274.1435 C16H20NO3+ 5 274.1438 -1.07
+PK$NUM_PEAK: 35
+PK$PEAK: m/z int. rel.int.
+  80.0495 770965.9 18
+  84.0444 738563.4 17
+  86.0964 42288252 999
+  91.0542 1449426.1 34
+  94.0648 618548.2 14
+  107.0491 1440436.6 34
+  112.112 980890.9 23
+  116.0705 440649.7 10
+  119.0492 872856.2 20
+  121.0649 1112934.2 26
+  124.1121 11145487 263
+  125.071 1024427.4 24
+  125.1074 803539.8 18
+  135.0678 1719246.4 40
+  136.0758 1534166.2 36
+  136.112 5414085.5 127
+  140.1069 32427568 766
+  150.0913 33027850 780
+  151.0866 1157244.5 27
+  153.0658 1700835.4 40
+  153.1023 1271214.8 30
+  153.1385 13521528 319
+  164.1068 451988.7 10
+  167.0814 708348.4 16
+  168.1018 9379715 221
+  174.0912 438249.4 10
+  179.0814 6352525 150
+  179.1167 1182763.8 27
+  181.0975 3777682.5 89
+  181.1333 16451923 388
+  209.1282 2395115.8 56
+  223.1439 2114604.2 49
+  251.1385 1895150.6 44
+  264.1709 1711421 40
+  274.1435 3683388.8 87
+//
diff --git a/Eawag/MSBNK-MLU-ED227507.txt b/Eawag/MSBNK-MLU-ED227507.txt
new file mode 100644
index 0000000000..dc174d6d65
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED227507.txt
@@ -0,0 +1,134 @@
+ACCESSION: MSBNK-MLU-ED227507
+RECORD_TITLE: Rivulariapeptolide 1121; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], W. H. Gerwick [dtc], R. Reher [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2275
+CH$NAME: Rivulariapeptolide 1121
+CH$NAME: [(2S,3S)-3-[(1-butanoylpyrrolidine-2-carbonyl)amino]-4-[[(2S,5S,8S,11R,12S,15E,18S,21R)-15-ethylidene-21-hydroxy-5-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-2-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-4-oxobutan-2-yl] 1-butanoylpyrrolidine-2-carboxylate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C56H83N9O15
+CH$EXACT_MASS: 1121.600863
+CH$SMILES: CC(C)[C@H](NC([C@H](CC1=CC=C(O)C=C1)N(C)C([C@H](CC(C)C)N2[C@H](O)CC[C@H](NC(/C(NC3=O)=C\C)=O)C2=O)=O)=O)C(O[C@H](C)[C@@H]3NC([C@H]([C@@H](OC(C4N(C(CCC)=O)CCC4)=O)C)NC(C5CCCN5C(CCC)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C56H83N9O15/c1-11-16-42(67)63-26-14-18-38(63)49(71)60-47(32(8)79-55(77)39-19-15-27-64(39)43(68)17-12-2)52(74)61-46-33(9)80-56(78)45(31(6)7)59-50(72)40(29-34-20-22-35(66)23-21-34)62(10)54(76)41(28-30(4)5)65-44(69)25-24-37(53(65)75)58-48(70)36(13-3)57-51(46)73/h13,20-23,30-33,37-41,44-47,66,69H,11-12,14-19,24-29H2,1-10H3,(H,57,73)(H,58,70)(H,59,72)(H,60,71)(H,61,74)/b36-13+/t32-,33+,37-,38?,39?,40-,41-,44+,45-,46-,47-/m0/s1
+CH$LINK: PUBCHEM CID:154585468
+CH$LINK: INCHIKEY NSLGLRCZEMNFTE-BSTXMPBESA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 77-1165
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.497 min
+MS$FOCUSED_ION: BASE_PEAK 1104.5974
+MS$FOCUSED_ION: PRECURSOR_M/Z 1122.6081
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 477508354.25
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0f79-3900000000-2c5a28e2ebeb12ef08a9
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  80.0494 C5H6N+ 1 80.0495 -1.26
+  82.065 C5H8N+ 1 82.0651 -1.22
+  84.0445 C4H6NO+ 1 84.0444 0.93
+  86.0964 C5H12N+ 1 86.0964 -0.05
+  91.0542 C7H7+ 1 91.0542 -0.08
+  94.0651 C6H8N+ 1 94.0651 -0.73
+  96.0443 C5H6NO+ 1 96.0444 -0.67
+  107.0491 C7H7O+ 1 107.0491 -0.11
+  109.0648 C7H9O+ 1 109.0648 -0.23
+  110.0604 C6H8NO+ 1 110.06 3.31
+  111.0554 C5H7N2O+ 1 111.0553 1.37
+  112.0394 C5H6NO2+ 1 112.0393 0.85
+  112.1118 C7H14N+ 1 112.1121 -2.7
+  116.0704 C5H10NO2+ 1 116.0706 -1.92
+  119.0491 C8H7O+ 1 119.0491 -0.4
+  121.0648 C8H9O+ 1 121.0648 0.12
+  123.0918 C7H11N2+ 1 123.0917 1.01
+  124.1121 C8H14N+ 1 124.1121 0.15
+  125.0708 C6H9N2O+ 1 125.0709 -0.72
+  125.1073 C7H13N2+ 1 125.1073 -0.11
+  135.0678 C8H9NO+ 1 135.0679 -0.62
+  136.0756 C8H10NO+ 1 136.0757 -0.6
+  136.112 C9H14N+ 1 136.1121 -0.44
+  139.0862 C7H11N2O+ 1 139.0866 -2.86
+  140.1069 C8H14NO+ 1 140.107 -0.68
+  148.0753 C9H10NO+ 1 148.0757 -2.36
+  149.0711 C8H9N2O+ 1 149.0709 0.96
+  150.0913 C9H12NO+ 1 150.0913 -0.38
+  151.0504 C7H7N2O2+ 1 151.0502 1.12
+  151.0863 C8H11N2O+ 1 151.0866 -1.66
+  153.0659 C7H9N2O2+ 1 153.0659 0.04
+  153.1024 C8H13N2O+ 1 153.1022 1.28
+  153.1385 C9H17N2+ 1 153.1386 -0.97
+  164.1071 C10H14NO+ 1 164.107 0.44
+  167.0812 C8H11N2O2+ 1 167.0815 -1.98
+  168.1018 C9H14NO2+ 1 168.1019 -0.78
+  174.0909 C11H12NO+ 1 174.0913 -2.67
+  179.0814 C9H11N2O2+ 1 179.0815 -0.47
+  179.1175 C10H15N2O+ 1 179.1179 -2.05
+  181.0972 C9H13N2O2+ 1 181.0972 0.3
+  181.1333 C10H17N2O+ 1 181.1335 -1.1
+  186.0914 C12H12NO+ 1 186.0913 0.23
+  203.0931 C12H13NO2+ 2 203.0941 -4.92
+  209.1282 C11H17N2O2+ 1 209.1285 -1.35
+  223.1436 C12H19N2O2+ 2 223.1441 -2.15
+  274.1434 C16H20NO3+ 5 274.1438 -1.18
+PK$NUM_PEAK: 46
+PK$PEAK: m/z int. rel.int.
+  80.0494 1618081 37
+  82.065 777952.6 17
+  84.0445 1113484 25
+  86.0964 43630008 999
+  91.0542 2959412.2 67
+  94.0651 1067983.8 24
+  96.0443 737570.1 16
+  107.0491 3904500.5 89
+  109.0648 647495.5 14
+  110.0604 839317.3 19
+  111.0554 534024.4 12
+  112.0394 684178 15
+  112.1118 847950.9 19
+  116.0704 485867.1 11
+  119.0491 1812224.2 41
+  121.0648 2158782.8 49
+  123.0918 457643.6 10
+  124.1121 16248728 372
+  125.0708 2103456.2 48
+  125.1073 987874.3 22
+  135.0678 3117042.8 71
+  136.0756 2486561 56
+  136.112 8031517 183
+  139.0862 713140.5 16
+  140.1069 15420954 353
+  148.0753 614989.9 14
+  149.0711 495415.8 11
+  150.0913 29837936 683
+  151.0504 682231.3 15
+  151.0863 1948575 44
+  153.0659 2208040.2 50
+  153.1024 1107962.4 25
+  153.1385 6516296 149
+  164.1071 546818.2 12
+  167.0812 794181.3 18
+  168.1018 4424478.5 101
+  174.0909 528683.2 12
+  179.0814 4290903 98
+  179.1175 595079.4 13
+  181.0972 1805946.4 41
+  181.1333 4219902 96
+  186.0914 618401.1 14
+  203.0931 724952.6 16
+  209.1282 591197.8 13
+  223.1436 766587.3 17
+  274.1434 1072584.2 24
+//
diff --git a/Eawag/MSBNK-MLU-ED227508.txt b/Eawag/MSBNK-MLU-ED227508.txt
new file mode 100644
index 0000000000..2c4f10a4f3
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED227508.txt
@@ -0,0 +1,166 @@
+ACCESSION: MSBNK-MLU-ED227508
+RECORD_TITLE: Rivulariapeptolide 1121; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], W. H. Gerwick [dtc], R. Reher [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2275
+CH$NAME: Rivulariapeptolide 1121
+CH$NAME: [(2S,3S)-3-[(1-butanoylpyrrolidine-2-carbonyl)amino]-4-[[(2S,5S,8S,11R,12S,15E,18S,21R)-15-ethylidene-21-hydroxy-5-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-2-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-4-oxobutan-2-yl] 1-butanoylpyrrolidine-2-carboxylate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C56H83N9O15
+CH$EXACT_MASS: 1121.600863
+CH$SMILES: CC(C)[C@H](NC([C@H](CC1=CC=C(O)C=C1)N(C)C([C@H](CC(C)C)N2[C@H](O)CC[C@H](NC(/C(NC3=O)=C\C)=O)C2=O)=O)=O)C(O[C@H](C)[C@@H]3NC([C@H]([C@@H](OC(C4N(C(CCC)=O)CCC4)=O)C)NC(C5CCCN5C(CCC)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C56H83N9O15/c1-11-16-42(67)63-26-14-18-38(63)49(71)60-47(32(8)79-55(77)39-19-15-27-64(39)43(68)17-12-2)52(74)61-46-33(9)80-56(78)45(31(6)7)59-50(72)40(29-34-20-22-35(66)23-21-34)62(10)54(76)41(28-30(4)5)65-44(69)25-24-37(53(65)75)58-48(70)36(13-3)57-51(46)73/h13,20-23,30-33,37-41,44-47,66,69H,11-12,14-19,24-29H2,1-10H3,(H,57,73)(H,58,70)(H,59,72)(H,60,71)(H,61,74)/b36-13+/t32-,33+,37-,38?,39?,40-,41-,44+,45-,46-,47-/m0/s1
+CH$LINK: PUBCHEM CID:154585468
+CH$LINK: INCHIKEY NSLGLRCZEMNFTE-BSTXMPBESA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 77-1165
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.497 min
+MS$FOCUSED_ION: BASE_PEAK 1104.5974
+MS$FOCUSED_ION: PRECURSOR_M/Z 1122.6081
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 477508354.25
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-000i-4900000000-1743d09b1a15adf41405
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  79.0543 C6H7+ 1 79.0542 0.38
+  80.0494 C5H6N+ 1 80.0495 -0.5
+  81.0699 C6H9+ 1 81.0699 0.75
+  82.0651 C5H8N+ 1 82.0651 -0.29
+  84.0445 C4H6NO+ 1 84.0444 0.84
+  84.0809 C5H10N+ 1 84.0808 0.92
+  86.0965 C5H12N+ 1 86.0964 0.3
+  91.0542 C7H7+ 1 91.0542 0.17
+  93.0573 C6H7N+ 1 93.0573 -0.47
+  93.07 C7H9+ 1 93.0699 0.81
+  94.0652 C6H8N+ 1 94.0651 0.33
+  95.0491 C6H7O+ 1 95.0491 -0.28
+  95.0604 C5H7N2+ 1 95.0604 0.49
+  96.0444 C5H6NO+ 1 96.0444 0.12
+  96.0805 C6H10N+ 1 96.0808 -2.82
+  97.0762 C5H9N2+ 1 97.076 2.3
+  98.06 C5H8NO+ 1 98.06 -0.66
+  98.0965 C6H12N+ 1 98.0964 0.42
+  106.0652 C7H8N+ 1 106.0651 0.51
+  107.0492 C7H7O+ 1 107.0491 0.32
+  109.0649 C7H9O+ 1 109.0648 1.17
+  109.0763 C6H9N2+ 1 109.076 2.54
+  110.0599 C6H8NO+ 1 110.06 -0.84
+  110.0838 C6H10N2+ 1 110.0838 -0.62
+  111.0553 C5H7N2O+ 1 111.0553 -0.21
+  111.0919 C6H11N2+ 1 111.0917 2.46
+  112.0393 C5H6NO2+ 1 112.0393 0.3
+  112.1125 C7H14N+ 1 112.1121 3.63
+  117.0577 C8H7N+ 1 117.0573 3.06
+  119.0491 C8H7O+ 1 119.0491 -0.2
+  121.0648 C8H9O+ 1 121.0648 0.12
+  121.0886 C8H11N+ 1 121.0886 0.32
+  122.0602 C7H8NO+ 1 122.06 1.17
+  123.0919 C7H11N2+ 1 123.0917 1.63
+  124.1121 C8H14N+ 1 124.1121 0.27
+  125.071 C6H9N2O+ 1 125.0709 0.32
+  125.1074 C7H13N2+ 1 125.1073 0.92
+  132.0808 C9H10N+ 1 132.0808 0.23
+  134.06 C8H8NO+ 1 134.06 -0.32
+  135.0678 C8H9NO+ 1 135.0679 -0.51
+  136.076 C8H10NO+ 1 136.0757 2.32
+  136.112 C9H14N+ 1 136.1121 -0.32
+  137.0707 C7H9N2O+ 1 137.0709 -1.56
+  138.0915 C8H12NO+ 1 138.0913 1.3
+  139.0865 C7H11N2O+ 1 139.0866 -0.56
+  140.1069 C8H14NO+ 1 140.107 -0.79
+  148.0759 C9H10NO+ 1 148.0757 1.15
+  149.071 C8H9N2O+ 1 149.0709 0.14
+  150.0913 C9H12NO+ 1 150.0913 -0.38
+  151.0506 C7H7N2O2+ 1 151.0502 2.74
+  151.0865 C8H11N2O+ 1 151.0866 -0.85
+  153.066 C7H9N2O2+ 1 153.0659 0.94
+  153.1023 C8H13N2O+ 1 153.1022 0.28
+  153.1383 C9H17N2+ 1 153.1386 -1.96
+  167.0816 C8H11N2O2+ 1 167.0815 0.85
+  168.1019 C9H14NO2+ 1 168.1019 0.04
+  174.0916 C11H12NO+ 1 174.0913 1.27
+  179.0815 C9H11N2O2+ 1 179.0815 -0.21
+  179.1179 C10H15N2O+ 1 179.1179 0.25
+  181.1333 C10H17N2O+ 1 181.1335 -1.1
+  186.0913 C12H12NO+ 1 186.0913 -0.02
+  203.0943 C12H13NO2+ 1 203.0941 0.94
+PK$NUM_PEAK: 62
+PK$PEAK: m/z int. rel.int.
+  79.0543 345384.3 13
+  80.0494 2420856.8 92
+  81.0699 282839.3 10
+  82.0651 1044518.6 39
+  84.0445 1232858.9 47
+  84.0809 335409.4 12
+  86.0965 26139016 999
+  91.0542 4423146 169
+  93.0573 912265.2 34
+  93.07 427808 16
+  94.0652 1369807.9 52
+  95.0491 334513 12
+  95.0604 434604.3 16
+  96.0444 854409.1 32
+  96.0805 345044.4 13
+  97.0762 425769 16
+  98.06 418221.7 15
+  98.0965 274687.3 10
+  106.0652 740221.6 28
+  107.0492 5308889.5 202
+  109.0649 761204.2 29
+  109.0763 364243.9 13
+  110.0599 882910.8 33
+  110.0838 588134.2 22
+  111.0553 703269.2 26
+  111.0919 265565.5 10
+  112.0393 779153.1 29
+  112.1125 668463.1 25
+  117.0577 339137.7 12
+  119.0491 2053875.2 78
+  121.0648 2439971.8 93
+  121.0886 313330.2 11
+  122.0602 448953.7 17
+  123.0919 638152.3 24
+  124.1121 12589902 481
+  125.071 2698940.8 103
+  125.1074 1188372.4 45
+  132.0808 379991.8 14
+  134.06 1333939 50
+  135.0678 4497092.5 171
+  136.076 1382449.2 52
+  136.112 7281828 278
+  137.0707 448639.6 17
+  138.0915 277536.9 10
+  139.0865 767163.3 29
+  140.1069 4276650.5 163
+  148.0759 528548.5 20
+  149.071 471178.5 18
+  150.0913 16036930 612
+  151.0506 607481.9 23
+  151.0865 1732113.1 66
+  153.066 1204482.8 46
+  153.1023 765542.8 29
+  153.1383 1828065.5 69
+  167.0816 406425.8 15
+  168.1019 2080198.9 79
+  174.0916 570424.4 21
+  179.0815 1983726.9 75
+  179.1179 304701.4 11
+  181.1333 802526.6 30
+  186.0913 884464.3 33
+  203.0943 424507.8 16
+//
diff --git a/Eawag/MSBNK-MLU-ED227509.txt b/Eawag/MSBNK-MLU-ED227509.txt
new file mode 100644
index 0000000000..ac70cb424e
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED227509.txt
@@ -0,0 +1,154 @@
+ACCESSION: MSBNK-MLU-ED227509
+RECORD_TITLE: Rivulariapeptolide 1121; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], W. H. Gerwick [dtc], R. Reher [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2275
+CH$NAME: Rivulariapeptolide 1121
+CH$NAME: [(2S,3S)-3-[(1-butanoylpyrrolidine-2-carbonyl)amino]-4-[[(2S,5S,8S,11R,12S,15E,18S,21R)-15-ethylidene-21-hydroxy-5-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-2-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-4-oxobutan-2-yl] 1-butanoylpyrrolidine-2-carboxylate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C56H83N9O15
+CH$EXACT_MASS: 1121.600863
+CH$SMILES: CC(C)[C@H](NC([C@H](CC1=CC=C(O)C=C1)N(C)C([C@H](CC(C)C)N2[C@H](O)CC[C@H](NC(/C(NC3=O)=C\C)=O)C2=O)=O)=O)C(O[C@H](C)[C@@H]3NC([C@H]([C@@H](OC(C4N(C(CCC)=O)CCC4)=O)C)NC(C5CCCN5C(CCC)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C56H83N9O15/c1-11-16-42(67)63-26-14-18-38(63)49(71)60-47(32(8)79-55(77)39-19-15-27-64(39)43(68)17-12-2)52(74)61-46-33(9)80-56(78)45(31(6)7)59-50(72)40(29-34-20-22-35(66)23-21-34)62(10)54(76)41(28-30(4)5)65-44(69)25-24-37(53(65)75)58-48(70)36(13-3)57-51(46)73/h13,20-23,30-33,37-41,44-47,66,69H,11-12,14-19,24-29H2,1-10H3,(H,57,73)(H,58,70)(H,59,72)(H,60,71)(H,61,74)/b36-13+/t32-,33+,37-,38?,39?,40-,41-,44+,45-,46-,47-/m0/s1
+CH$LINK: PUBCHEM CID:154585468
+CH$LINK: INCHIKEY NSLGLRCZEMNFTE-BSTXMPBESA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 77-1165
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.497 min
+MS$FOCUSED_ION: BASE_PEAK 1104.5974
+MS$FOCUSED_ION: PRECURSOR_M/Z 1122.6081
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 477508354.25
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-000i-5900000000-6a43b8fbedf2b9192315
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  79.0542 C6H7+ 1 79.0542 -0.68
+  80.0494 C5H6N+ 1 80.0495 -0.5
+  81.0698 C6H9+ 1 81.0699 -1.04
+  82.0651 C5H8N+ 1 82.0651 0.17
+  84.0444 C4H6NO+ 1 84.0444 0.66
+  84.0806 C5H10N+ 1 84.0808 -1.89
+  86.0964 C5H12N+ 1 86.0964 0.13
+  91.0542 C7H7+ 1 91.0542 -0.42
+  93.0574 C6H7N+ 1 93.0573 0.75
+  93.0697 C7H9+ 1 93.0699 -1.73
+  94.0651 C6H8N+ 1 94.0651 -0.16
+  95.049 C6H7O+ 1 95.0491 -1.08
+  95.0603 C5H7N2+ 1 95.0604 -0.71
+  96.0444 C5H6NO+ 1 96.0444 0.44
+  97.076 C5H9N2+ 1 97.076 0.18
+  98.0598 C5H8NO+ 1 98.06 -1.99
+  98.0963 C6H12N+ 1 98.0964 -1.06
+  106.0651 C7H8N+ 1 106.0651 -0.21
+  107.0492 C7H7O+ 1 107.0491 0.39
+  108.0808 C7H10N+ 1 108.0808 0.52
+  109.0651 C7H9O+ 1 109.0648 2.92
+  109.076 C6H9N2+ 1 109.076 -0.26
+  110.0602 C6H8NO+ 1 110.06 1.03
+  110.084 C6H10N2+ 1 110.0838 1.05
+  111.0551 C5H7N2O+ 1 111.0553 -1.93
+  112.0392 C5H6NO2+ 1 112.0393 -0.58
+  112.1121 C7H14N+ 1 112.1121 0.36
+  116.0707 C5H10NO2+ 1 116.0706 1.1
+  117.0573 C8H7N+ 1 117.0573 -0.4
+  119.049 C8H7O+ 1 119.0491 -1.1
+  121.0648 C8H9O+ 1 121.0648 -0.2
+  121.0886 C8H11N+ 1 121.0886 0.32
+  122.0601 C7H8NO+ 1 122.06 0.73
+  123.0917 C7H11N2+ 1 123.0917 0.21
+  124.1121 C8H14N+ 1 124.1121 -0.04
+  125.0709 C6H9N2O+ 1 125.0709 -0.54
+  125.1071 C7H13N2+ 1 125.1073 -1.52
+  132.0804 C9H10N+ 1 132.0808 -3.12
+  134.06 C8H8NO+ 1 134.06 -0.43
+  135.0678 C8H9NO+ 1 135.0679 -0.62
+  136.0757 C8H10NO+ 1 136.0757 0.41
+  136.112 C9H14N+ 1 136.1121 -0.77
+  137.0709 C7H9N2O+ 1 137.0709 -0.56
+  138.0912 C8H12NO+ 1 138.0913 -0.69
+  139.0865 C7H11N2O+ 1 139.0866 -0.45
+  140.107 C8H14NO+ 1 140.107 -0.14
+  148.0756 C9H10NO+ 1 148.0757 -0.29
+  149.0707 C8H9N2O+ 1 149.0709 -1.39
+  150.0913 C9H12NO+ 1 150.0913 -0.48
+  151.0865 C8H11N2O+ 1 151.0866 -0.35
+  153.0658 C7H9N2O2+ 1 153.0659 -0.36
+  153.1386 C9H17N2+ 1 153.1386 -0.07
+  168.1022 C9H14NO2+ 1 168.1019 1.58
+  174.0918 C11H12NO+ 1 174.0913 2.5
+  179.0813 C9H11N2O2+ 1 179.0815 -1.07
+  186.0908 C12H12NO+ 2 186.0913 -3.13
+PK$NUM_PEAK: 56
+PK$PEAK: m/z int. rel.int.
+  79.0542 462395.4 38
+  80.0494 2640374.8 221
+  81.0698 219363.9 18
+  82.0651 1342201 112
+  84.0444 888736.7 74
+  84.0806 361496.1 30
+  86.0964 11897491 999
+  91.0542 4382146.5 367
+  93.0574 1111175.5 93
+  93.0697 557017.8 46
+  94.0651 1843482.8 154
+  95.049 410687.2 34
+  95.0603 457505.9 38
+  96.0444 972131.2 81
+  97.076 650766.7 54
+  98.0598 344493.1 28
+  98.0963 414100.2 34
+  106.0651 718925.8 60
+  107.0492 5640247 473
+  108.0808 378135 31
+  109.0651 644924.6 54
+  109.076 252948.6 21
+  110.0602 727134.8 61
+  110.084 813843.9 68
+  111.0551 513052.4 43
+  112.0392 448746.1 37
+  112.1121 333708.5 28
+  116.0707 167013.3 14
+  117.0573 469605.5 39
+  119.049 1794545 150
+  121.0648 1636937.6 137
+  121.0886 287730.4 24
+  122.0601 423811.8 35
+  123.0917 304000.9 25
+  124.1121 7324225.5 614
+  125.0709 1790631.1 150
+  125.1071 821077.5 68
+  132.0804 233862.5 19
+  134.06 1453650.6 122
+  135.0678 4383686 368
+  136.0757 1107697.4 93
+  136.112 4528993.5 380
+  137.0709 290675.2 24
+  138.0912 169599.9 14
+  139.0865 377650.1 31
+  140.107 793669 66
+  148.0756 350701.2 29
+  149.0707 424464.1 35
+  150.0913 6474653.5 543
+  151.0865 1016175.1 85
+  153.0658 238292.8 20
+  153.1386 500234.9 42
+  168.1022 943988.9 79
+  174.0918 581685.2 48
+  179.0813 422865.9 35
+  186.0908 605196 50
+//
diff --git a/Eawag/MSBNK-MLU-ED227551.txt b/Eawag/MSBNK-MLU-ED227551.txt
new file mode 100644
index 0000000000..b0cdc8f4f9
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED227551.txt
@@ -0,0 +1,52 @@
+ACCESSION: MSBNK-MLU-ED227551
+RECORD_TITLE: Rivulariapeptolide 1121; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], W. H. Gerwick [dtc], R. Reher [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2275
+CH$NAME: Rivulariapeptolide 1121
+CH$NAME: [(2S,3S)-3-[(1-butanoylpyrrolidine-2-carbonyl)amino]-4-[[(2S,5S,8S,11R,12S,15E,18S,21R)-15-ethylidene-21-hydroxy-5-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-2-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-4-oxobutan-2-yl] 1-butanoylpyrrolidine-2-carboxylate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C56H83N9O15
+CH$EXACT_MASS: 1121.600863
+CH$SMILES: CC(C)[C@H](NC([C@H](CC1=CC=C(O)C=C1)N(C)C([C@H](CC(C)C)N2[C@H](O)CC[C@H](NC(/C(NC3=O)=C\C)=O)C2=O)=O)=O)C(O[C@H](C)[C@@H]3NC([C@H]([C@@H](OC(C4N(C(CCC)=O)CCC4)=O)C)NC(C5CCCN5C(CCC)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C56H83N9O15/c1-11-16-42(67)63-26-14-18-38(63)49(71)60-47(32(8)79-55(77)39-19-15-27-64(39)43(68)17-12-2)52(74)61-46-33(9)80-56(78)45(31(6)7)59-50(72)40(29-34-20-22-35(66)23-21-34)62(10)54(76)41(28-30(4)5)65-44(69)25-24-37(53(65)75)58-48(70)36(13-3)57-51(46)73/h13,20-23,30-33,37-41,44-47,66,69H,11-12,14-19,24-29H2,1-10H3,(H,57,73)(H,58,70)(H,59,72)(H,60,71)(H,61,74)/b36-13+/t32-,33+,37-,38?,39?,40-,41-,44+,45-,46-,47-/m0/s1
+CH$LINK: PUBCHEM CID:154585468
+CH$LINK: INCHIKEY NSLGLRCZEMNFTE-BSTXMPBESA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 77-1160
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.476 min
+MS$FOCUSED_ION: BASE_PEAK 1120.5933
+MS$FOCUSED_ION: PRECURSOR_M/Z 1120.5936
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 981527701.12
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0079-0600001009-7b50b5c45b3e9c50a2e9
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  646.3573 C32H54O13- 11 646.357 0.49
+  685.3569 C34H49N6O9- 10 685.3567 0.44
+  690.3836 C34H58O14- 11 690.3832 0.52
+  935.4891 C49H69N5O13- 7 935.4897 -0.68
+  1120.5942 C56H82N9O15- 1 1120.5936 0.52
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  646.3573 53033840 117
+  685.3569 5121883 11
+  690.3836 30817468 68
+  935.4891 451324000 999
+  1120.5942 315780864 698
+//
diff --git a/Eawag/MSBNK-MLU-ED227552.txt b/Eawag/MSBNK-MLU-ED227552.txt
new file mode 100644
index 0000000000..00803137fa
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED227552.txt
@@ -0,0 +1,66 @@
+ACCESSION: MSBNK-MLU-ED227552
+RECORD_TITLE: Rivulariapeptolide 1121; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], W. H. Gerwick [dtc], R. Reher [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2275
+CH$NAME: Rivulariapeptolide 1121
+CH$NAME: [(2S,3S)-3-[(1-butanoylpyrrolidine-2-carbonyl)amino]-4-[[(2S,5S,8S,11R,12S,15E,18S,21R)-15-ethylidene-21-hydroxy-5-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-2-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-4-oxobutan-2-yl] 1-butanoylpyrrolidine-2-carboxylate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C56H83N9O15
+CH$EXACT_MASS: 1121.600863
+CH$SMILES: CC(C)[C@H](NC([C@H](CC1=CC=C(O)C=C1)N(C)C([C@H](CC(C)C)N2[C@H](O)CC[C@H](NC(/C(NC3=O)=C\C)=O)C2=O)=O)=O)C(O[C@H](C)[C@@H]3NC([C@H]([C@@H](OC(C4N(C(CCC)=O)CCC4)=O)C)NC(C5CCCN5C(CCC)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C56H83N9O15/c1-11-16-42(67)63-26-14-18-38(63)49(71)60-47(32(8)79-55(77)39-19-15-27-64(39)43(68)17-12-2)52(74)61-46-33(9)80-56(78)45(31(6)7)59-50(72)40(29-34-20-22-35(66)23-21-34)62(10)54(76)41(28-30(4)5)65-44(69)25-24-37(53(65)75)58-48(70)36(13-3)57-51(46)73/h13,20-23,30-33,37-41,44-47,66,69H,11-12,14-19,24-29H2,1-10H3,(H,57,73)(H,58,70)(H,59,72)(H,60,71)(H,61,74)/b36-13+/t32-,33+,37-,38?,39?,40-,41-,44+,45-,46-,47-/m0/s1
+CH$LINK: PUBCHEM CID:154585468
+CH$LINK: INCHIKEY NSLGLRCZEMNFTE-BSTXMPBESA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 77-1160
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.476 min
+MS$FOCUSED_ION: BASE_PEAK 1120.5933
+MS$FOCUSED_ION: PRECURSOR_M/Z 1120.5936
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 981527701.12
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-000i-0100004009-f0be6da02bff4885aca8
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  184.0966 C7H12N4O2- 1 184.0966 0.39
+  396.2244 C3H36N6O15- 6 396.2244 0.09
+  480.2825 C23H38N5O6- 8 480.2828 -0.49
+  545.2612 C27H37N4O8- 10 545.2617 -0.98
+  602.3197 C30H44N5O8- 10 602.3195 0.29
+  646.3571 C32H54O13- 10 646.357 0.2
+  668.3304 C34H46N5O9- 10 668.3301 0.44
+  685.3571 C34H49N6O9- 10 685.3567 0.61
+  690.3839 C34H58O14- 12 690.3832 0.96
+  769.4145 C39H57N6O10- 14 769.4142 0.41
+  935.4893 C49H69N5O13- 7 935.4897 -0.48
+  1120.5947 C56H82N9O15- 1 1120.5936 0.96
+PK$NUM_PEAK: 12
+PK$PEAK: m/z int. rel.int.
+  184.0966 8629485 19
+  396.2244 7131165.5 16
+  480.2825 5730396 12
+  545.2612 19123186 43
+  602.3197 21216256 47
+  646.3571 136226336 307
+  668.3304 6271244.5 14
+  685.3571 31537940 71
+  690.3839 10518881 23
+  769.4145 7860683 17
+  935.4893 443071520 999
+  1120.5947 42368184 95
+//
diff --git a/Eawag/MSBNK-MLU-ED227553.txt b/Eawag/MSBNK-MLU-ED227553.txt
new file mode 100644
index 0000000000..1cae0ce009
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED227553.txt
@@ -0,0 +1,84 @@
+ACCESSION: MSBNK-MLU-ED227553
+RECORD_TITLE: Rivulariapeptolide 1121; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], W. H. Gerwick [dtc], R. Reher [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2275
+CH$NAME: Rivulariapeptolide 1121
+CH$NAME: [(2S,3S)-3-[(1-butanoylpyrrolidine-2-carbonyl)amino]-4-[[(2S,5S,8S,11R,12S,15E,18S,21R)-15-ethylidene-21-hydroxy-5-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-2-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-4-oxobutan-2-yl] 1-butanoylpyrrolidine-2-carboxylate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C56H83N9O15
+CH$EXACT_MASS: 1121.600863
+CH$SMILES: CC(C)[C@H](NC([C@H](CC1=CC=C(O)C=C1)N(C)C([C@H](CC(C)C)N2[C@H](O)CC[C@H](NC(/C(NC3=O)=C\C)=O)C2=O)=O)=O)C(O[C@H](C)[C@@H]3NC([C@H]([C@@H](OC(C4N(C(CCC)=O)CCC4)=O)C)NC(C5CCCN5C(CCC)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C56H83N9O15/c1-11-16-42(67)63-26-14-18-38(63)49(71)60-47(32(8)79-55(77)39-19-15-27-64(39)43(68)17-12-2)52(74)61-46-33(9)80-56(78)45(31(6)7)59-50(72)40(29-34-20-22-35(66)23-21-34)62(10)54(76)41(28-30(4)5)65-44(69)25-24-37(53(65)75)58-48(70)36(13-3)57-51(46)73/h13,20-23,30-33,37-41,44-47,66,69H,11-12,14-19,24-29H2,1-10H3,(H,57,73)(H,58,70)(H,59,72)(H,60,71)(H,61,74)/b36-13+/t32-,33+,37-,38?,39?,40-,41-,44+,45-,46-,47-/m0/s1
+CH$LINK: PUBCHEM CID:154585468
+CH$LINK: INCHIKEY NSLGLRCZEMNFTE-BSTXMPBESA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 77-1160
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.476 min
+MS$FOCUSED_ION: BASE_PEAK 1120.5933
+MS$FOCUSED_ION: PRECURSOR_M/Z 1120.5936
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 981527701.12
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-000j-0211038009-85f5d464a093f52e9cdf
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  114.0547 C3H6N4O- 1 114.0547 0.04
+  139.0502 C4H5N5O- 1 139.05 1.75
+  142.0495 C4H6N4O2- 1 142.0496 -0.85
+  184.0966 C7H12N4O2- 1 184.0966 -0.11
+  195.0761 C7H9N5O2- 1 195.0762 -0.53
+  226.1182 C8H14N6O2- 1 226.1184 -0.91
+  261.0867 C11H11N5O3- 3 261.0867 -0.29
+  266.1501 C11H18N6O2- 2 266.1497 1.67
+  282.1445 C11H18N6O3- 3 282.1446 -0.42
+  293.1492 C13H19N5O3- 4 293.1493 -0.64
+  339.203 CH33N5O14- 6 339.2029 0.05
+  349.1873 C2H31N5O14- 7 349.1873 -0.1
+  396.2245 C3H36N6O15- 6 396.2244 0.24
+  406.237 C9H36N5O12- 8 406.2366 0.99
+  480.2828 C23H38N5O6- 8 480.2828 0.08
+  489.2342 C23H37O11- 6 489.2341 0.05
+  545.2612 C27H37N4O8- 10 545.2617 -0.86
+  602.3195 C30H44N5O8- 10 602.3195 -0.12
+  646.357 C32H54O13- 12 646.357 0.02
+  685.3567 C34H49N6O9- 12 685.3567 0.08
+  935.4894 C49H69N5O13- 7 935.4897 -0.35
+PK$NUM_PEAK: 21
+PK$PEAK: m/z int. rel.int.
+  114.0547 10974141 64
+  139.0502 3031319 17
+  142.0495 2354551.8 13
+  184.0966 16446870 97
+  195.0761 6529287.5 38
+  226.1182 3237904 19
+  261.0867 2308349.5 13
+  266.1501 3165779.5 18
+  282.1445 2291395 13
+  293.1492 8970582 52
+  339.203 8277741 48
+  349.1873 9398905 55
+  396.2245 19958120 117
+  406.237 2774491.5 16
+  480.2828 9330521 55
+  489.2342 5605418.5 33
+  545.2612 63269264 373
+  602.3195 47932692 282
+  646.357 72281616 426
+  685.3567 37125584 218
+  935.4894 169382752 999
+//
diff --git a/Eawag/MSBNK-MLU-ED227554.txt b/Eawag/MSBNK-MLU-ED227554.txt
new file mode 100644
index 0000000000..e1dd1521c5
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED227554.txt
@@ -0,0 +1,160 @@
+ACCESSION: MSBNK-MLU-ED227554
+RECORD_TITLE: Rivulariapeptolide 1121; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], W. H. Gerwick [dtc], R. Reher [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2275
+CH$NAME: Rivulariapeptolide 1121
+CH$NAME: [(2S,3S)-3-[(1-butanoylpyrrolidine-2-carbonyl)amino]-4-[[(2S,5S,8S,11R,12S,15E,18S,21R)-15-ethylidene-21-hydroxy-5-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-2-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-4-oxobutan-2-yl] 1-butanoylpyrrolidine-2-carboxylate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C56H83N9O15
+CH$EXACT_MASS: 1121.600863
+CH$SMILES: CC(C)[C@H](NC([C@H](CC1=CC=C(O)C=C1)N(C)C([C@H](CC(C)C)N2[C@H](O)CC[C@H](NC(/C(NC3=O)=C\C)=O)C2=O)=O)=O)C(O[C@H](C)[C@@H]3NC([C@H]([C@@H](OC(C4N(C(CCC)=O)CCC4)=O)C)NC(C5CCCN5C(CCC)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C56H83N9O15/c1-11-16-42(67)63-26-14-18-38(63)49(71)60-47(32(8)79-55(77)39-19-15-27-64(39)43(68)17-12-2)52(74)61-46-33(9)80-56(78)45(31(6)7)59-50(72)40(29-34-20-22-35(66)23-21-34)62(10)54(76)41(28-30(4)5)65-44(69)25-24-37(53(65)75)58-48(70)36(13-3)57-51(46)73/h13,20-23,30-33,37-41,44-47,66,69H,11-12,14-19,24-29H2,1-10H3,(H,57,73)(H,58,70)(H,59,72)(H,60,71)(H,61,74)/b36-13+/t32-,33+,37-,38?,39?,40-,41-,44+,45-,46-,47-/m0/s1
+CH$LINK: PUBCHEM CID:154585468
+CH$LINK: INCHIKEY NSLGLRCZEMNFTE-BSTXMPBESA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 77-1160
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.476 min
+MS$FOCUSED_ION: BASE_PEAK 1120.5933
+MS$FOCUSED_ION: PRECURSOR_M/Z 1120.5936
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 981527701.12
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0f7a-0973135001-6c4f947d1e4a350dfa36
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  114.0547 C3H6N4O- 1 114.0547 0.17
+  116.0704 C3H8N4O- 1 116.0704 0.1
+  119.0486 C6H5N3- 1 119.0489 -2.34
+  125.0342 C3H3N5O- 1 125.0343 -0.68
+  134.0364 C6H4N3O- 1 134.036 3.12
+  138.0184 C4H2N4O2- 1 138.0183 0.75
+  139.0501 C4H5N5O- 1 139.05 0.87
+  139.0864 C5H9N5- 1 139.0863 0.15
+  142.0498 C4H6N4O2- 1 142.0496 0.97
+  152.0705 C6H8N4O- 1 152.0704 1.07
+  165.0656 C6H7N5O- 1 165.0656 -0.07
+  169.0968 C6H11N5O- 1 169.0969 -0.44
+  179.0814 C7H9N5O- 1 179.0813 1.01
+  183.1124 C7H13N5O- 1 183.1126 -0.67
+  184.0965 C7H12N4O2- 1 184.0966 -0.2
+  190.0969 C8H10N6- 1 190.0972 -1.75
+  194.0803 C8H10N4O2- 3 194.0809 -3.16
+  195.0761 C7H9N5O2- 1 195.0762 -0.14
+  196.1078 C7H12N6O- 1 196.1078 0.15
+  200.1392 C7H16N6O- 1 200.1391 0.66
+  207.0767 C8H9N5O2- 2 207.0762 2.49
+  212.1027 C7H12N6O2- 1 212.1027 -0.33
+  212.1381 C8H16N6O- 3 212.1391 -4.9
+  213.0864 C7H11N5O3- 3 213.0867 -1.8
+  221.0554 C8H7N5O3- 1 221.0554 -0.26
+  222.087 C8H10N6O2- 1 222.0871 -0.28
+  226.1182 C8H14N6O2- 1 226.1184 -0.57
+  228.1337 C8H16N6O2- 3 228.134 -1.39
+  234.1233 C10H14N6O- 1 234.1235 -0.58
+  238.1184 C9H14N6O2- 1 238.1184 -0.08
+  238.1547 C10H18N6O- 1 238.1548 -0.37
+  248.1381 C10H20N2O5- 3 248.1378 1.45
+  252.1333 C9H20N2O6- 3 252.1327 2.57
+  256.108 C12H12N6O- 2 256.1078 0.8
+  261.0861 C11H11N5O3- 3 261.0867 -2.39
+  262.1067 C12H14N4O3- 3 262.1071 -1.67
+  266.1495 C11H18N6O2- 3 266.1497 -0.51
+  278.1121 C10H18N2O7- 3 278.1119 0.64
+  282.1444 C11H18N6O3- 3 282.1446 -0.64
+  283.1762 C11H21N7O2- 4 283.1762 -0.04
+  289.1545 C14H19N5O2- 5 289.1544 0.27
+  293.1494 C13H19N5O3- 5 293.1493 0.3
+  297.1924 C13H29O7- 5 297.1919 1.72
+  339.2029 CH33N5O14- 6 339.2029 -0.22
+  349.1877 C2H31N5O14- 7 349.1873 1.13
+  365.1825 C2H31N5O15- 6 365.1822 0.66
+  366.1888 H30N8O14- 5 366.1887 0.29
+  396.2247 C3H36N6O15- 7 396.2244 0.7
+  406.2364 C9H36N5O12- 8 406.2366 -0.51
+  424.2559 C5H40N6O15- 8 424.2557 0.36
+  457.2435 C7H37N8O14- 7 457.2435 0.12
+  489.2344 C23H37O11- 8 489.2341 0.49
+  545.2613 C27H37N4O8- 9 545.2617 -0.64
+  602.3195 C30H44N5O8- 10 602.3195 -0.12
+  646.3571 C32H54O13- 10 646.357 0.2
+  668.3302 C34H46N5O9- 11 668.3301 0.16
+  685.357 C34H49N6O9- 10 685.3567 0.53
+  769.4145 C39H57N6O10- 14 769.4142 0.49
+  935.4898 C49H69N5O13- 7 935.4897 0.04
+PK$NUM_PEAK: 59
+PK$PEAK: m/z int. rel.int.
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+  116.0704 9332869 176
+  119.0486 3294082.8 62
+  125.0342 5257702 99
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+  138.0184 1877300.1 35
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+  142.0498 11082983 210
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+  165.0656 3020634.8 57
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+  196.1078 4333297.5 82
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+  212.1381 540368.2 10
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+  222.087 2233264.2 42
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+  228.1337 680108.1 12
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+  238.1184 1432557.1 27
+  238.1547 6351252 120
+  248.1381 697193.3 13
+  252.1333 545189.4 10
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+  282.1444 3270435 62
+  283.1762 4479469.5 84
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+  293.1494 33871956 642
+  297.1924 1614957.9 30
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+  349.1877 10363365 196
+  365.1825 4595522.5 87
+  366.1888 5111690.5 96
+  396.2247 22601314 428
+  406.2364 7728084 146
+  424.2559 1305808 24
+  457.2435 805132.4 15
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+  545.2613 51996368 986
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+  646.3571 14243574 270
+  668.3302 5871339 111
+  685.357 18312814 347
+  769.4145 7444858 141
+  935.4898 24960070 473
+//
diff --git a/Eawag/MSBNK-MLU-ED227555.txt b/Eawag/MSBNK-MLU-ED227555.txt
new file mode 100644
index 0000000000..6d65b591de
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED227555.txt
@@ -0,0 +1,252 @@
+ACCESSION: MSBNK-MLU-ED227555
+RECORD_TITLE: Rivulariapeptolide 1121; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], W. H. Gerwick [dtc], R. Reher [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2275
+CH$NAME: Rivulariapeptolide 1121
+CH$NAME: [(2S,3S)-3-[(1-butanoylpyrrolidine-2-carbonyl)amino]-4-[[(2S,5S,8S,11R,12S,15E,18S,21R)-15-ethylidene-21-hydroxy-5-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-2-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-4-oxobutan-2-yl] 1-butanoylpyrrolidine-2-carboxylate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C56H83N9O15
+CH$EXACT_MASS: 1121.600863
+CH$SMILES: CC(C)[C@H](NC([C@H](CC1=CC=C(O)C=C1)N(C)C([C@H](CC(C)C)N2[C@H](O)CC[C@H](NC(/C(NC3=O)=C\C)=O)C2=O)=O)=O)C(O[C@H](C)[C@@H]3NC([C@H]([C@@H](OC(C4N(C(CCC)=O)CCC4)=O)C)NC(C5CCCN5C(CCC)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C56H83N9O15/c1-11-16-42(67)63-26-14-18-38(63)49(71)60-47(32(8)79-55(77)39-19-15-27-64(39)43(68)17-12-2)52(74)61-46-33(9)80-56(78)45(31(6)7)59-50(72)40(29-34-20-22-35(66)23-21-34)62(10)54(76)41(28-30(4)5)65-44(69)25-24-37(53(65)75)58-48(70)36(13-3)57-51(46)73/h13,20-23,30-33,37-41,44-47,66,69H,11-12,14-19,24-29H2,1-10H3,(H,57,73)(H,58,70)(H,59,72)(H,60,71)(H,61,74)/b36-13+/t32-,33+,37-,38?,39?,40-,41-,44+,45-,46-,47-/m0/s1
+CH$LINK: PUBCHEM CID:154585468
+CH$LINK: INCHIKEY NSLGLRCZEMNFTE-BSTXMPBESA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 77-1160
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.476 min
+MS$FOCUSED_ION: BASE_PEAK 1120.5933
+MS$FOCUSED_ION: PRECURSOR_M/Z 1120.5936
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 981527701.12
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-02tc-0930000000-758533702a352eaba5d0
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
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+  86.0597 C2H6N4- 1 86.0598 -0.88
+  93.0333 C4H3N3- 1 93.0332 0.77
+  99.0188 CHN5O- 1 99.0187 1.79
+  99.0551 C2H5N5- 1 99.055 0.62
+  100.0391 C2H4N4O- 1 100.0391 0.11
+  107.0489 C5H5N3- 1 107.0489 0.28
+  109.0394 C3H3N5- 1 109.0394 -0.25
+  110.0236 C3H2N4O- 1 110.0234 1.32
+  111.0185 C2HN5O- 1 111.0187 -1.24
+  111.0553 C3H5N5- 1 111.055 1.91
+  112.0266 C2H2N5O- 1 112.0265 0.93
+  112.0388 C3H4N4O- 1 112.0391 -2.22
+  113.0343 C2H3N5O- 1 113.0343 -0.49
+  113.0707 C3H7N5- 1 113.0707 0.18
+  114.0547 C3H6N4O- 1 114.0547 0.11
+  116.0704 C3H8N4O- 1 116.0704 0.16
+  119.0489 C6H5N3- 1 119.0489 0.29
+  122.0602 C5H6N4- 1 122.0598 3.41
+  123.0551 C4H5N5- 1 123.055 0.57
+  125.0344 C3H3N5O- 1 125.0343 0.66
+  125.0707 C4H7N5- 1 125.0707 0.23
+  126.0909 C5H10N4- 1 126.0911 -1.48
+  127.05 C3H5N5O- 1 127.05 0.36
+  130.0859 C4H10N4O- 1 130.086 -0.83
+  134.0361 C6H4N3O- 1 134.036 0.72
+  137.0344 C4H3N5O- 1 137.0343 0.65
+  137.0708 C5H7N5- 1 137.0707 0.81
+  138.0186 C4H2N4O2- 1 138.0183 1.85
+  138.0421 C4H4N5O- 1 138.0421 -0.07
+  139.0501 C4H5N5O- 1 139.05 0.87
+  139.0863 C5H9N5- 1 139.0863 -0.18
+  140.0706 C5H8N4O- 1 140.0704 1.67
+  141.0658 C4H7N5O- 1 141.0656 1.2
+  141.102 C5H11N5- 1 141.102 0.38
+  142.0497 C4H6N4O2- 1 142.0496 0.76
+  143.1178 C5H13N5- 1 143.1176 1.03
+  145.028 C7H3N3O- 1 145.0282 -1.29
+  147.0438 C7H5N3O- 1 147.0438 -0.25
+  148.075 C7H8N4- 1 148.0754 -3.03
+  151.0505 C5H5N5O- 1 151.05 3.28
+  151.0863 C6H9N5- 1 151.0863 -0.01
+  152.0705 C6H8N4O- 1 152.0704 0.87
+  153.066 C5H7N5O- 1 153.0656 2.81
+  153.1019 C6H11N5- 1 153.102 -0.93
+  155.0451 C4H5N5O2- 1 155.0449 1.53
+  156.0765 C4H8N6O- 1 156.0765 -0.05
+  159.0801 C9H9N3- 1 159.0802 -0.53
+  161.0703 C7H7N5- 1 161.0707 -2.2
+  163.0384 C7H5N3O2- 1 163.0387 -1.73
+  164.0702 C7H8N4O- 1 164.0704 -1.15
+  165.0292 C5H3N5O2- 1 165.0292 -0.38
+  165.0655 C6H7N5O- 1 165.0656 -0.81
+  165.1021 C7H11N5- 1 165.102 0.53
+  166.0859 C7H10N4O- 1 166.086 -0.96
+  167.0815 C6H9N5O- 1 167.0813 1.39
+  169.0969 C6H11N5O- 1 169.0969 -0.26
+  174.1036 C10H12N3- 1 174.1037 -0.61
+  178.0487 C6H10O6- 2 178.0483 2.19
+  178.0978 C7H10N6- 2 178.0972 3.01
+  179.081 C7H9N5O- 1 179.0813 -1.38
+  181.0968 C7H11N5O- 1 181.0969 -0.81
+  183.1125 C7H13N5O- 1 183.1126 -0.08
+  184.0964 C7H12N4O2- 1 184.0966 -0.94
+  187.1074 C6H13N5O2- 1 187.1075 -0.2
+  191.0808 C8H9N5O- 3 191.0813 -2.49
+  194.0803 C8H10N4O2- 3 194.0809 -3.24
+  195.0761 C7H9N5O2- 1 195.0762 -0.22
+  195.1119 C8H13N5O- 3 195.1126 -3.47
+  196.1077 C7H12N6O- 1 196.1078 -0.31
+  198.1234 C7H14N6O- 1 198.1235 -0.36
+  200.139 C7H16N6O- 1 200.1391 -0.56
+  202.0861 C10H10N4O- 1 202.086 0.49
+  205.0606 C8H7N5O2- 1 205.0605 0.19
+  207.0761 C8H9N5O2- 1 207.0762 -0.38
+  212.1026 C7H12N6O2- 1 212.1027 -0.61
+  212.1393 C8H16N6O- 1 212.1391 0.71
+  213.0862 C7H11N5O3- 3 213.0867 -2.58
+  218.1161 C10H18O5- 2 218.116 0.58
+  221.0558 C8H7N5O3- 2 221.0554 1.53
+  222.0868 C8H10N6O2- 3 222.0871 -1.18
+  226.1182 C8H14N6O2- 1 226.1184 -0.57
+  228.1336 C8H16N6O2- 3 228.134 -1.73
+  234.1227 C10H14N6O- 3 234.1235 -3.12
+  238.1187 C9H14N6O2- 2 238.1184 1.33
+  238.1544 C10H18N6O- 3 238.1548 -1.33
+  240.1342 C9H16N6O2- 2 240.134 0.82
+  248.1383 C10H20N2O5- 3 248.1378 2.25
+  249.1236 C13H17N2O3- 2 249.1245 -3.56
+  252.1331 C9H20N2O6- 3 252.1327 1.66
+  254.1494 C9H22N2O6- 3 254.1483 4.18
+  261.0872 C11H11N5O3- 2 261.0867 1.93
+  262.1068 C12H14N4O3- 3 262.1071 -1.32
+  266.1486 C11H18N6O2- 3 266.1497 -3.95
+  271.1438 C14H17N5O- 4 271.1439 -0.18
+  278.1125 C10H18N2O7- 3 278.1119 1.95
+  283.1759 C11H21N7O2- 3 283.1762 -1.23
+  289.1544 C14H19N5O2- 5 289.1544 -0.16
+  293.1494 C13H19N5O3- 5 293.1493 0.19
+  339.203 CH33N5O14- 6 339.2029 0.05
+  349.1873 C2H31N5O14- 7 349.1873 0.08
+  365.182 C2H31N5O15- 7 365.1822 -0.68
+  366.1886 H30N8O14- 6 366.1887 -0.29
+  424.2555 C5H40N6O15- 6 424.2557 -0.51
+  602.3198 C30H44N5O8- 10 602.3195 0.39
+PK$NUM_PEAK: 105
+PK$PEAK: m/z int. rel.int.
+  84.0077 1503455.1 19
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+  109.0394 1570916.4 19
+  110.0236 2272641.8 28
+  111.0185 2015203.5 25
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+  116.0704 38966692 493
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+  130.0859 1535186.8 19
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+  137.0344 1206530.6 15
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+  366.1886 6005693.5 76
+  424.2555 1201632.6 15
+  602.3198 7027528.5 89
+//
diff --git a/Eawag/MSBNK-MLU-ED227556.txt b/Eawag/MSBNK-MLU-ED227556.txt
new file mode 100644
index 0000000000..bba7c850b9
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED227556.txt
@@ -0,0 +1,236 @@
+ACCESSION: MSBNK-MLU-ED227556
+RECORD_TITLE: Rivulariapeptolide 1121; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], W. H. Gerwick [dtc], R. Reher [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2275
+CH$NAME: Rivulariapeptolide 1121
+CH$NAME: [(2S,3S)-3-[(1-butanoylpyrrolidine-2-carbonyl)amino]-4-[[(2S,5S,8S,11R,12S,15E,18S,21R)-15-ethylidene-21-hydroxy-5-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-2-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-4-oxobutan-2-yl] 1-butanoylpyrrolidine-2-carboxylate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C56H83N9O15
+CH$EXACT_MASS: 1121.600863
+CH$SMILES: CC(C)[C@H](NC([C@H](CC1=CC=C(O)C=C1)N(C)C([C@H](CC(C)C)N2[C@H](O)CC[C@H](NC(/C(NC3=O)=C\C)=O)C2=O)=O)=O)C(O[C@H](C)[C@@H]3NC([C@H]([C@@H](OC(C4N(C(CCC)=O)CCC4)=O)C)NC(C5CCCN5C(CCC)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C56H83N9O15/c1-11-16-42(67)63-26-14-18-38(63)49(71)60-47(32(8)79-55(77)39-19-15-27-64(39)43(68)17-12-2)52(74)61-46-33(9)80-56(78)45(31(6)7)59-50(72)40(29-34-20-22-35(66)23-21-34)62(10)54(76)41(28-30(4)5)65-44(69)25-24-37(53(65)75)58-48(70)36(13-3)57-51(46)73/h13,20-23,30-33,37-41,44-47,66,69H,11-12,14-19,24-29H2,1-10H3,(H,57,73)(H,58,70)(H,59,72)(H,60,71)(H,61,74)/b36-13+/t32-,33+,37-,38?,39?,40-,41-,44+,45-,46-,47-/m0/s1
+CH$LINK: PUBCHEM CID:154585468
+CH$LINK: INCHIKEY NSLGLRCZEMNFTE-BSTXMPBESA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 77-1160
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.476 min
+MS$FOCUSED_ION: BASE_PEAK 1120.5933
+MS$FOCUSED_ION: PRECURSOR_M/Z 1120.5936
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 981527701.12
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-02t9-0910000000-869efa88078983169ce4
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  82.0285 C2H2N4- 1 82.0285 -0.27
+  83.0239 CHN5- 1 83.0237 1.61
+  84.0079 CN4O- 1 84.0078 1.12
+  86.0599 C2H6N4- 1 86.0598 0.81
+  87.055 CH5N5- 1 87.055 -0.75
+  93.0333 C4H3N3- 1 93.0332 0.11
+  94.0285 C3H2N4- 1 94.0285 0.03
+  97.0392 C2H3N5- 1 97.0394 -2.06
+  99.0187 CHN5O- 1 99.0187 0.17
+  99.044 C3H5N3O- 1 99.0438 1.58
+  99.055 C2H5N5- 1 99.055 -0.07
+  100.0391 C2H4N4O- 1 100.0391 0.87
+  107.0489 C5H5N3- 1 107.0489 0.28
+  109.0395 C3H3N5- 1 109.0394 1.29
+  110.0235 C3H2N4O- 1 110.0234 1.04
+  110.0473 C3H4N5- 1 110.0472 1.06
+  111.0187 C2HN5O- 1 111.0187 0.55
+  111.0551 C3H5N5- 1 111.055 0.88
+  112.0265 C2H2N5O- 1 112.0265 0.53
+  112.0755 C4H8N4- 1 112.0754 0.9
+  113.0344 C2H3N5O- 1 113.0343 1
+  113.0708 C3H7N5- 1 113.0707 0.52
+  114.0548 C3H6N4O- 1 114.0547 0.44
+  116.0704 C3H8N4O- 1 116.0704 0.56
+  119.049 C6H5N3- 1 119.0489 0.55
+  122.0235 C4H2N4O- 1 122.0234 1.1
+  122.0597 C5H6N4- 1 122.0598 -0.72
+  123.0551 C4H5N5- 1 123.055 0.75
+  125.0344 C3H3N5O- 1 125.0343 0.97
+  125.0708 C4H7N5- 1 125.0707 1.02
+  126.091 C5H10N4- 1 126.0911 -0.45
+  127.0502 C3H5N5O- 1 127.05 1.68
+  130.0858 C4H10N4O- 1 130.086 -1.88
+  134.0358 C6H4N3O- 1 134.036 -1.21
+  135.0553 C5H5N5- 1 135.055 1.58
+  137.0343 C4H3N5O- 1 137.0343 -0.02
+  137.0709 C5H7N5- 1 137.0707 1.25
+  139.0501 C4H5N5O- 1 139.05 1.09
+  139.0863 C5H9N5- 1 139.0863 -0.18
+  140.0705 C5H8N4O- 1 140.0704 1.34
+  141.0657 C4H7N5O- 1 141.0656 0.33
+  141.1021 C5H11N5- 1 141.102 0.6
+  142.0498 C4H6N4O2- 1 142.0496 1.4
+  143.1178 C5H13N5- 1 143.1176 0.81
+  145.0284 C7H3N3O- 1 145.0282 1.86
+  147.0438 C7H5N3O- 1 147.0438 0.06
+  148.0752 C7H8N4- 1 148.0754 -1.58
+  149.0707 C6H7N5- 1 149.0707 -0.19
+  151.0497 C5H5N5O- 1 151.05 -1.87
+  151.0864 C6H9N5- 1 151.0863 0.5
+  152.0702 C6H8N4O- 1 152.0704 -1.14
+  153.0653 C5H7N5O- 1 153.0656 -2.27
+  153.1022 C6H11N5- 1 153.102 1.06
+  156.0764 C4H8N6O- 1 156.0765 -0.93
+  159.0803 C9H9N3- 1 159.0802 0.81
+  161.0709 C7H7N5- 1 161.0707 1.49
+  162.0544 C7H6N4O- 1 162.0547 -1.92
+  163.0386 C7H5N3O2- 1 163.0387 -0.98
+  164.0702 C7H8N4O- 1 164.0704 -0.69
+  165.029 C5H3N5O2- 1 165.0292 -1.58
+  165.0657 C6H7N5O- 1 165.0656 0.67
+  165.1022 C7H11N5- 1 165.102 1.45
+  166.0858 C7H10N4O- 1 166.086 -1.42
+  167.0814 C6H9N5O- 1 167.0813 1.12
+  169.0969 C6H11N5O- 1 169.0969 0.01
+  170.0918 C5H10N6O- 1 170.0922 -1.91
+  174.1037 C10H12N3- 1 174.1037 0.27
+  178.0976 C7H10N6- 1 178.0972 1.81
+  179.045 C6H5N5O2- 1 179.0449 0.46
+  179.0809 C7H9N5O- 1 179.0813 -1.81
+  181.0968 C7H11N5O- 1 181.0969 -0.64
+  183.1126 C7H13N5O- 1 183.1126 0.33
+  184.0958 C7H12N4O2- 3 184.0966 -4.01
+  187.1074 C6H13N5O2- 1 187.1075 -0.36
+  190.0973 C8H10N6- 1 190.0972 0.26
+  195.0761 C7H9N5O2- 1 195.0762 -0.53
+  195.1122 C8H13N5O- 1 195.1126 -1.75
+  196.1078 C7H12N6O- 1 196.1078 -0.08
+  198.1235 C7H14N6O- 1 198.1235 0.1
+  200.1391 C7H16N6O- 1 200.1391 -0.26
+  202.086 C10H10N4O- 1 202.086 -0.19
+  212.1388 C8H16N6O- 3 212.1391 -1.67
+  218.1164 C10H18O5- 3 218.116 1.91
+  226.1184 C8H14N6O2- 1 226.1184 0.31
+  228.1343 C8H16N6O2- 2 228.134 1.08
+  234.1234 C10H14N6O- 1 234.1235 -0.06
+  238.1182 C9H14N6O2- 3 238.1184 -0.72
+  238.155 C10H18N6O- 2 238.1548 1.1
+  240.134 C9H16N6O2- 1 240.134 -0.19
+  271.1436 C14H17N5O- 4 271.1439 -0.86
+  283.1761 C11H21N7O2- 3 283.1762 -0.47
+  289.1544 C14H19N5O2- 5 289.1544 -0.16
+  293.1494 C13H19N5O3- 5 293.1493 0.09
+  295.1397 C11H17N7O3- 3 295.1398 -0.5
+  297.1922 C13H29O7- 3 297.1919 1.01
+  339.203 CH33N5O14- 6 339.2029 0.14
+  365.1821 C2H31N5O15- 7 365.1822 -0.18
+PK$NUM_PEAK: 97
+PK$PEAK: m/z int. rel.int.
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+  83.0239 1154032.9 12
+  84.0079 1928448.5 20
+  86.0599 1581418.1 16
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+  107.0489 6167531.5 65
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+  113.0344 2647598.2 28
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+  114.0548 93881816 999
+  116.0704 39566368 421
+  119.049 30373240 323
+  122.0235 3101841 33
+  122.0597 1692825.4 18
+  123.0551 2200530.8 23
+  125.0344 19905788 211
+  125.0708 3424870 36
+  126.091 1416590.5 15
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+  137.0709 2359978 25
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+  151.0497 1806247 19
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+  295.1397 2334687.2 24
+  297.1922 2164702.8 23
+  339.203 1551159.4 16
+  365.1821 1143587.9 12
+//
diff --git a/Eawag/MSBNK-MLU-ED227557.txt b/Eawag/MSBNK-MLU-ED227557.txt
new file mode 100644
index 0000000000..f5c84c7990
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED227557.txt
@@ -0,0 +1,156 @@
+ACCESSION: MSBNK-MLU-ED227557
+RECORD_TITLE: Rivulariapeptolide 1121; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], W. H. Gerwick [dtc], R. Reher [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2275
+CH$NAME: Rivulariapeptolide 1121
+CH$NAME: [(2S,3S)-3-[(1-butanoylpyrrolidine-2-carbonyl)amino]-4-[[(2S,5S,8S,11R,12S,15E,18S,21R)-15-ethylidene-21-hydroxy-5-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-2-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-4-oxobutan-2-yl] 1-butanoylpyrrolidine-2-carboxylate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C56H83N9O15
+CH$EXACT_MASS: 1121.600863
+CH$SMILES: CC(C)[C@H](NC([C@H](CC1=CC=C(O)C=C1)N(C)C([C@H](CC(C)C)N2[C@H](O)CC[C@H](NC(/C(NC3=O)=C\C)=O)C2=O)=O)=O)C(O[C@H](C)[C@@H]3NC([C@H]([C@@H](OC(C4N(C(CCC)=O)CCC4)=O)C)NC(C5CCCN5C(CCC)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C56H83N9O15/c1-11-16-42(67)63-26-14-18-38(63)49(71)60-47(32(8)79-55(77)39-19-15-27-64(39)43(68)17-12-2)52(74)61-46-33(9)80-56(78)45(31(6)7)59-50(72)40(29-34-20-22-35(66)23-21-34)62(10)54(76)41(28-30(4)5)65-44(69)25-24-37(53(65)75)58-48(70)36(13-3)57-51(46)73/h13,20-23,30-33,37-41,44-47,66,69H,11-12,14-19,24-29H2,1-10H3,(H,57,73)(H,58,70)(H,59,72)(H,60,71)(H,61,74)/b36-13+/t32-,33+,37-,38?,39?,40-,41-,44+,45-,46-,47-/m0/s1
+CH$LINK: PUBCHEM CID:154585468
+CH$LINK: INCHIKEY NSLGLRCZEMNFTE-BSTXMPBESA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 77-1160
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.476 min
+MS$FOCUSED_ION: BASE_PEAK 1120.5933
+MS$FOCUSED_ION: PRECURSOR_M/Z 1120.5936
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 981527701.12
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03xr-0900000000-d244c1b1fd55ccabbacd
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
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+  83.0238 CHN5- 1 83.0237 0.97
+  84.0076 CN4O- 1 84.0078 -1.43
+  86.06 C2H6N4- 1 86.0598 2.67
+  87.055 CH5N5- 1 87.055 -0.23
+  97.0393 C2H3N5- 1 97.0394 -1.43
+  99.0188 CHN5O- 1 99.0187 1.64
+  99.0551 C2H5N5- 1 99.055 0.62
+  107.0489 C5H5N3- 1 107.0489 0.35
+  109.0393 C3H3N5- 1 109.0394 -0.6
+  110.0235 C3H2N4O- 1 110.0234 0.97
+  110.0472 C3H4N5- 1 110.0472 0.02
+  111.0187 C2HN5O- 1 111.0187 0
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+  112.0265 C2H2N5O- 1 112.0265 0.59
+  112.0391 C3H4N4O- 1 112.0391 -0.04
+  112.0755 C4H8N4- 1 112.0754 0.76
+  113.0346 C2H3N5O- 1 113.0343 2.62
+  113.0708 C3H7N5- 1 113.0707 0.58
+  114.0547 C3H6N4O- 1 114.0547 0.17
+  116.0704 C3H8N4O- 1 116.0704 0.3
+  119.0489 C6H5N3- 1 119.0489 0.42
+  123.0551 C4H5N5- 1 123.055 0.26
+  125.0344 C3H3N5O- 1 125.0343 0.78
+  125.0707 C4H7N5- 1 125.0707 -0.08
+  126.0912 C5H10N4- 1 126.0911 0.64
+  127.05 C3H5N5O- 1 127.05 0.36
+  130.0859 C4H10N4O- 1 130.086 -0.94
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+  137.0346 C4H3N5O- 1 137.0343 1.98
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+  139.0501 C4H5N5O- 1 139.05 1.09
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+  147.0439 C7H5N3O- 1 147.0438 0.89
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+  149.0707 C6H7N5- 1 149.0707 0.12
+  151.0504 C5H5N5O- 1 151.05 2.78
+  151.0865 C6H9N5- 1 151.0863 1.3
+  153.0656 C5H7N5O- 1 153.0656 -0.38
+  153.1021 C6H11N5- 1 153.102 0.66
+  159.0801 C9H9N3- 1 159.0802 -0.91
+  164.07 C7H8N4O- 1 164.0704 -1.99
+  165.0658 C6H7N5O- 1 165.0656 1.14
+  165.1019 C7H11N5- 1 165.102 -0.67
+  167.0808 C6H9N5O- 1 167.0813 -2.9
+  169.0968 C6H11N5O- 1 169.0969 -0.35
+  170.0921 C5H10N6O- 1 170.0922 -0.47
+  183.1126 C7H13N5O- 1 183.1126 0
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+  212.1392 C8H16N6O- 1 212.1391 0.21
+  218.1163 C10H18O5- 3 218.116 1.42
+  283.1762 C11H21N7O2- 4 283.1762 -0.04
+  295.1396 C11H17N7O3- 3 295.1398 -0.92
+PK$NUM_PEAK: 57
+PK$PEAK: m/z int. rel.int.
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+  153.0656 1079281.1 11
+  153.1021 5282334.5 56
+  159.0801 1534837.8 16
+  164.07 1980658.4 21
+  165.0658 1868349.4 19
+  165.1019 1032919.8 10
+  167.0808 1339449.6 14
+  169.0968 30072514 319
+  170.0921 1158761.6 12
+  183.1126 4865314 51
+  198.1234 1949941.9 20
+  200.139 14809380 157
+  212.1392 966880.7 10
+  218.1163 3264175.5 34
+  283.1762 1021992.4 10
+  295.1396 1534301.6 16
+//
diff --git a/Eawag/MSBNK-MLU-ED227558.txt b/Eawag/MSBNK-MLU-ED227558.txt
new file mode 100644
index 0000000000..bc5aec139f
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED227558.txt
@@ -0,0 +1,132 @@
+ACCESSION: MSBNK-MLU-ED227558
+RECORD_TITLE: Rivulariapeptolide 1121; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], W. H. Gerwick [dtc], R. Reher [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2275
+CH$NAME: Rivulariapeptolide 1121
+CH$NAME: [(2S,3S)-3-[(1-butanoylpyrrolidine-2-carbonyl)amino]-4-[[(2S,5S,8S,11R,12S,15E,18S,21R)-15-ethylidene-21-hydroxy-5-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-2-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-4-oxobutan-2-yl] 1-butanoylpyrrolidine-2-carboxylate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C56H83N9O15
+CH$EXACT_MASS: 1121.600863
+CH$SMILES: CC(C)[C@H](NC([C@H](CC1=CC=C(O)C=C1)N(C)C([C@H](CC(C)C)N2[C@H](O)CC[C@H](NC(/C(NC3=O)=C\C)=O)C2=O)=O)=O)C(O[C@H](C)[C@@H]3NC([C@H]([C@@H](OC(C4N(C(CCC)=O)CCC4)=O)C)NC(C5CCCN5C(CCC)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C56H83N9O15/c1-11-16-42(67)63-26-14-18-38(63)49(71)60-47(32(8)79-55(77)39-19-15-27-64(39)43(68)17-12-2)52(74)61-46-33(9)80-56(78)45(31(6)7)59-50(72)40(29-34-20-22-35(66)23-21-34)62(10)54(76)41(28-30(4)5)65-44(69)25-24-37(53(65)75)58-48(70)36(13-3)57-51(46)73/h13,20-23,30-33,37-41,44-47,66,69H,11-12,14-19,24-29H2,1-10H3,(H,57,73)(H,58,70)(H,59,72)(H,60,71)(H,61,74)/b36-13+/t32-,33+,37-,38?,39?,40-,41-,44+,45-,46-,47-/m0/s1
+CH$LINK: PUBCHEM CID:154585468
+CH$LINK: INCHIKEY NSLGLRCZEMNFTE-BSTXMPBESA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 77-1160
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.476 min
+MS$FOCUSED_ION: BASE_PEAK 1120.5933
+MS$FOCUSED_ION: PRECURSOR_M/Z 1120.5936
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 981527701.12
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03xr-0900000000-fcdd65ec88d2c8d59eaf
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  82.0285 C2H2N4- 1 82.0285 0.47
+  83.0238 CHN5- 1 83.0237 0.23
+  84.0078 CN4O- 1 84.0078 0.48
+  85.0393 CH3N5- 1 85.0394 -0.85
+  87.055 CH5N5- 1 87.055 -0.05
+  93.0333 C4H3N3- 1 93.0332 0.44
+  94.0285 C3H2N4- 1 94.0285 -0.45
+  95.0237 C2HN5- 1 95.0237 -0.84
+  99.0188 CHN5O- 1 99.0187 1.33
+  99.0548 C2H5N5- 1 99.055 -2.23
+  107.0489 C5H5N3- 1 107.0489 0.49
+  108.0077 C3N4O- 1 108.0078 -0.15
+  109.0393 C3H3N5- 1 109.0394 -0.67
+  110.0475 C3H4N5- 1 110.0472 2.37
+  111.0187 C2HN5O- 1 111.0187 0.76
+  111.0551 C3H5N5- 1 111.055 0.68
+  112.0266 C2H2N5O- 1 112.0265 0.66
+  112.0756 C4H8N4- 1 112.0754 1.72
+  113.0342 C2H3N5O- 1 113.0343 -1.16
+  113.0708 C3H7N5- 1 113.0707 0.65
+  114.0547 C3H6N4O- 1 114.0547 0.24
+  116.0704 C3H8N4O- 1 116.0704 0.16
+  117.0334 C6H3N3- 1 117.0332 1.63
+  119.049 C6H5N3- 1 119.0489 0.48
+  121.0394 C4H3N5- 1 121.0394 0.42
+  123.0549 C4H5N5- 1 123.055 -0.8
+  124.0266 C3H2N5O- 1 124.0265 0.77
+  125.0344 C3H3N5O- 1 125.0343 0.48
+  126.0912 C5H10N4- 1 126.0911 0.7
+  127.0501 C3H5N5O- 1 127.05 1.08
+  130.0859 C4H10N4O- 1 130.086 -0.59
+  137.0707 C5H7N5- 1 137.0707 -0.31
+  139.05 C4H5N5O- 1 139.05 0.54
+  139.0864 C5H9N5- 1 139.0863 0.37
+  141.1022 C5H11N5- 1 141.102 1.24
+  143.1178 C5H13N5- 1 143.1176 0.92
+  145.0281 C7H3N3O- 1 145.0282 -0.56
+  148.0753 C7H8N4- 1 148.0754 -1.07
+  151.05 C5H5N5O- 1 151.05 0.05
+  153.1019 C6H11N5- 1 153.102 -0.44
+  159.0804 C9H9N3- 1 159.0802 1.2
+  169.0969 C6H11N5O- 1 169.0969 -0.26
+  181.0968 C7H11N5O- 1 181.0969 -0.55
+  183.1129 C7H13N5O- 1 183.1126 2.08
+  200.139 C7H16N6O- 1 200.1391 -0.72
+PK$NUM_PEAK: 45
+PK$PEAK: m/z int. rel.int.
+  82.0285 2027674.1 26
+  83.0238 2028343.9 26
+  84.0078 2336583.5 30
+  85.0393 1488177.8 19
+  87.055 2263776.2 29
+  93.0333 3486339.2 45
+  94.0285 1205473.2 15
+  95.0237 1476633.4 19
+  99.0188 2125080.2 27
+  99.0548 1455122.6 18
+  107.0489 2432828.8 31
+  108.0077 1046746.8 13
+  109.0393 2064165 26
+  110.0475 2058880.9 26
+  111.0187 4060362.2 52
+  111.0551 2323537.8 30
+  112.0266 14496993 187
+  112.0756 1175293.8 15
+  113.0342 1282059.6 16
+  113.0708 7201665.5 93
+  114.0547 77073280 999
+  116.0704 16975102 220
+  117.0334 1516592.2 19
+  119.049 26996470 349
+  121.0394 1139306 14
+  123.0549 1758861.1 22
+  124.0266 1045255.4 13
+  125.0344 9902592 128
+  126.0912 3677537 47
+  127.0501 1731870.6 22
+  130.0859 876044.6 11
+  137.0707 1596643.6 20
+  139.05 5607787.5 72
+  139.0864 2900418.8 37
+  141.1022 3949118.2 51
+  143.1178 24141352 312
+  145.0281 886831.9 11
+  148.0753 896351.4 11
+  151.05 771084.1 9
+  153.1019 3292090 42
+  159.0804 1275702.6 16
+  169.0969 11257660 145
+  181.0968 981580.1 12
+  183.1129 1669116.1 21
+  200.139 4048850 52
+//
diff --git a/Eawag/MSBNK-MLU-ED227559.txt b/Eawag/MSBNK-MLU-ED227559.txt
new file mode 100644
index 0000000000..f9295ec7d0
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED227559.txt
@@ -0,0 +1,96 @@
+ACCESSION: MSBNK-MLU-ED227559
+RECORD_TITLE: Rivulariapeptolide 1121; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], W. H. Gerwick [dtc], R. Reher [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2275
+CH$NAME: Rivulariapeptolide 1121
+CH$NAME: [(2S,3S)-3-[(1-butanoylpyrrolidine-2-carbonyl)amino]-4-[[(2S,5S,8S,11R,12S,15E,18S,21R)-15-ethylidene-21-hydroxy-5-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-2-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-4-oxobutan-2-yl] 1-butanoylpyrrolidine-2-carboxylate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C56H83N9O15
+CH$EXACT_MASS: 1121.600863
+CH$SMILES: CC(C)[C@H](NC([C@H](CC1=CC=C(O)C=C1)N(C)C([C@H](CC(C)C)N2[C@H](O)CC[C@H](NC(/C(NC3=O)=C\C)=O)C2=O)=O)=O)C(O[C@H](C)[C@@H]3NC([C@H]([C@@H](OC(C4N(C(CCC)=O)CCC4)=O)C)NC(C5CCCN5C(CCC)=O)=O)=O)=O
+CH$IUPAC: InChI=1S/C56H83N9O15/c1-11-16-42(67)63-26-14-18-38(63)49(71)60-47(32(8)79-55(77)39-19-15-27-64(39)43(68)17-12-2)52(74)61-46-33(9)80-56(78)45(31(6)7)59-50(72)40(29-34-20-22-35(66)23-21-34)62(10)54(76)41(28-30(4)5)65-44(69)25-24-37(53(65)75)58-48(70)36(13-3)57-51(46)73/h13,20-23,30-33,37-41,44-47,66,69H,11-12,14-19,24-29H2,1-10H3,(H,57,73)(H,58,70)(H,59,72)(H,60,71)(H,61,74)/b36-13+/t32-,33+,37-,38?,39?,40-,41-,44+,45-,46-,47-/m0/s1
+CH$LINK: PUBCHEM CID:154585468
+CH$LINK: INCHIKEY NSLGLRCZEMNFTE-BSTXMPBESA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 77-1160
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.476 min
+MS$FOCUSED_ION: BASE_PEAK 1120.5933
+MS$FOCUSED_ION: PRECURSOR_M/Z 1120.5936
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 981527701.12
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03di-0900000000-d5d08a401d2d41620d51
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  83.0237 CHN5- 1 83.0237 -0.04
+  84.0077 CN4O- 1 84.0078 -0.52
+  85.0394 CH3N5- 1 85.0394 0.5
+  93.0333 C4H3N3- 1 93.0332 0.27
+  94.0287 C3H2N4- 1 94.0285 2.14
+  97.0396 C2H3N5- 1 97.0394 1.64
+  99.0187 CHN5O- 1 99.0187 0.33
+  107.0489 C5H5N3- 1 107.0489 -0.22
+  111.0188 C2HN5O- 1 111.0187 1.03
+  112.0266 C2H2N5O- 1 112.0265 0.73
+  113.0707 C3H7N5- 1 113.0707 0.25
+  114.0547 C3H6N4O- 1 114.0547 0.11
+  116.0704 C3H8N4O- 1 116.0704 0.16
+  117.0333 C6H3N3- 1 117.0332 0.85
+  119.0489 C6H5N3- 1 119.0489 0.23
+  125.0344 C3H3N5O- 1 125.0343 0.66
+  125.0706 C4H7N5- 1 125.0707 -0.45
+  126.0912 C5H10N4- 1 126.0911 0.52
+  127.05 C3H5N5O- 1 127.05 0.6
+  139.0503 C4H5N5O- 1 139.05 2.52
+  139.0865 C5H9N5- 1 139.0863 0.81
+  141.1021 C5H11N5- 1 141.102 0.81
+  143.1178 C5H13N5- 1 143.1176 0.81
+  152.0707 C6H8N4O- 1 152.0704 2.17
+  153.102 C6H11N5- 1 153.102 -0.14
+  159.0799 C9H9N3- 1 159.0802 -2.06
+  200.1389 C7H16N6O- 1 200.1391 -1.17
+PK$NUM_PEAK: 27
+PK$PEAK: m/z int. rel.int.
+  83.0237 2415173.2 34
+  84.0077 1326722.4 19
+  85.0394 1534398.2 22
+  93.0333 4046637.5 58
+  94.0287 1164410.2 16
+  97.0396 1176595.1 16
+  99.0187 1935054.4 27
+  107.0489 2219939.5 31
+  111.0188 3725109.5 53
+  112.0266 16411739 236
+  113.0707 4542147.5 65
+  114.0547 69437472 999
+  116.0704 9803668 141
+  117.0333 2347003.5 33
+  119.0489 26612390 382
+  125.0344 7290346.5 104
+  125.0706 772435.9 11
+  126.0912 4829901 69
+  127.05 1034866.8 14
+  139.0503 2493310.8 35
+  139.0865 2461547.2 35
+  141.1021 1791959 25
+  143.1178 14609709 210
+  152.0707 756018.9 10
+  153.102 1595978.8 22
+  159.0799 1198465.1 17
+  200.1389 1129589.4 16
+//
diff --git a/Eawag/MSBNK-MLU-ED227601.txt b/Eawag/MSBNK-MLU-ED227601.txt
new file mode 100644
index 0000000000..893170bcff
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED227601.txt
@@ -0,0 +1,64 @@
+ACCESSION: MSBNK-MLU-ED227601
+RECORD_TITLE: Rivulariapeptolide 988; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], W. H. Gerwick [dtc], R. Reher [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2276
+CH$NAME: Rivulariapeptolide 988
+CH$NAME: N-[(2S,3S)-1-[[(2S,5S,8S,11R,12S,15E,18S,21R)-2-benzyl-15-ethylidene-21-hydroxy-5-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-3-hydroxy-1-oxobutan-2-yl]-1-butanoylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C50H68N8O13
+CH$EXACT_MASS: 988.4905842
+CH$SMILES: CCCC(=O)N1CCCC1C(=O)N[C@@H]([C@H](C)O)C(=O)N[C@H]2[C@H](OC(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](N3[C@@H](CC[C@@H](C3=O)NC(=O)/C(=C\C)/NC2=O)O)CC4=CC=CC=C4)C)CC5=CC=C(C=C5)O)C(C)C)C
+CH$IUPAC: InChI=1S/C50H68N8O13/c1-8-14-38(61)57-24-13-17-35(57)44(64)54-41(28(5)59)46(66)55-42-29(6)71-50(70)40(27(3)4)53-45(65)36(25-31-18-20-32(60)21-19-31)56(7)49(69)37(26-30-15-11-10-12-16-30)58-39(62)23-22-34(48(58)68)52-43(63)33(9-2)51-47(42)67/h9-12,15-16,18-21,27-29,34-37,39-42,59-60,62H,8,13-14,17,22-26H2,1-7H3,(H,51,67)(H,52,63)(H,53,65)(H,54,64)(H,55,66)/b33-9+/t28-,29+,34-,35?,36-,37-,39+,40-,41-,42-/m0/s1
+CH$LINK: PUBCHEM CID:154585501
+CH$LINK: INCHIKEY VOJZQYLSWQMIAF-SWYMOLAOSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 68-1025
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.779 min
+MS$FOCUSED_ION: BASE_PEAK 971.488
+MS$FOCUSED_ION: PRECURSOR_M/Z 989.4979
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 552164392.94
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00di-0000600009-682b200cc532fb277714
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  150.0906 C9H12NO+ 2 150.0913 -4.85
+  168.1012 C9H14NO2+ 2 168.1019 -4.23
+  269.1497 C13H21N2O4+ 2 269.1496 0.51
+  417.2138 C21H29N4O5+ 6 417.2132 1.42
+  420.1921 C10H28N8O10+ 6 420.1923 -0.47
+  435.2242 C21H31N4O6+ 6 435.2238 0.98
+  503.2296 C28H31N4O5+ 7 503.2289 1.31
+  537.2713 C29H37N4O6+ 7 537.2708 0.96
+  703.3453 C37H47N6O8+ 7 703.345 0.47
+  953.4768 C50H65N8O11+ 1 953.4767 0.12
+  971.4877 C50H67N8O12+ 1 971.4873 0.44
+PK$NUM_PEAK: 11
+PK$PEAK: m/z int. rel.int.
+  150.0906 1323217.2 16
+  168.1012 1436104.5 18
+  269.1497 1561217.8 19
+  417.2138 1607132.2 20
+  420.1921 36859432 469
+  435.2242 20064708 255
+  503.2296 4651618.5 59
+  537.2713 3471562.2 44
+  703.3453 2476866.8 31
+  953.4768 6105096 77
+  971.4877 78356832 999
+//
diff --git a/Eawag/MSBNK-MLU-ED227602.txt b/Eawag/MSBNK-MLU-ED227602.txt
new file mode 100644
index 0000000000..10b9849560
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED227602.txt
@@ -0,0 +1,78 @@
+ACCESSION: MSBNK-MLU-ED227602
+RECORD_TITLE: Rivulariapeptolide 988; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], W. H. Gerwick [dtc], R. Reher [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2276
+CH$NAME: Rivulariapeptolide 988
+CH$NAME: N-[(2S,3S)-1-[[(2S,5S,8S,11R,12S,15E,18S,21R)-2-benzyl-15-ethylidene-21-hydroxy-5-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-3-hydroxy-1-oxobutan-2-yl]-1-butanoylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C50H68N8O13
+CH$EXACT_MASS: 988.4905842
+CH$SMILES: CCCC(=O)N1CCCC1C(=O)N[C@@H]([C@H](C)O)C(=O)N[C@H]2[C@H](OC(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](N3[C@@H](CC[C@@H](C3=O)NC(=O)/C(=C\C)/NC2=O)O)CC4=CC=CC=C4)C)CC5=CC=C(C=C5)O)C(C)C)C
+CH$IUPAC: InChI=1S/C50H68N8O13/c1-8-14-38(61)57-24-13-17-35(57)44(64)54-41(28(5)59)46(66)55-42-29(6)71-50(70)40(27(3)4)53-45(65)36(25-31-18-20-32(60)21-19-31)56(7)49(69)37(26-30-15-11-10-12-16-30)58-39(62)23-22-34(48(58)68)52-43(63)33(9-2)51-47(42)67/h9-12,15-16,18-21,27-29,34-37,39-42,59-60,62H,8,13-14,17,22-26H2,1-7H3,(H,51,67)(H,52,63)(H,53,65)(H,54,64)(H,55,66)/b33-9+/t28-,29+,34-,35?,36-,37-,39+,40-,41-,42-/m0/s1
+CH$LINK: PUBCHEM CID:154585501
+CH$LINK: INCHIKEY VOJZQYLSWQMIAF-SWYMOLAOSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 68-1025
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.779 min
+MS$FOCUSED_ION: BASE_PEAK 971.488
+MS$FOCUSED_ION: PRECURSOR_M/Z 989.4979
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 552164392.94
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00di-0220900001-f6dfe74b8d73a4fdbb43
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  140.1068 C8H14NO+ 1 140.107 -1.45
+  150.0912 C9H12NO+ 1 150.0913 -0.68
+  168.1019 C9H14NO2+ 1 168.1019 -0.15
+  187.1223 C12H15N2+ 1 187.123 -3.39
+  215.1172 C13H15N2O+ 2 215.1179 -3.37
+  241.1547 C12H21N2O3+ 1 241.1547 0.33
+  243.1125 C14H15N2O2+ 4 243.1128 -1.26
+  269.1495 C13H21N2O4+ 2 269.1496 -0.29
+  295.1654 C15H23N2O4+ 3 295.1652 0.51
+  334.1772 C18H20N7+ 6 334.1775 -0.92
+  417.2138 C21H29N4O5+ 6 417.2132 1.28
+  420.1921 C10H28N8O10+ 6 420.1923 -0.47
+  435.2241 C21H31N4O6+ 6 435.2238 0.56
+  503.2294 C28H31N4O5+ 7 503.2289 1.07
+  537.271 C29H37N4O6+ 7 537.2708 0.39
+  703.3454 C37H47N6O8+ 7 703.345 0.56
+  953.4779 C50H65N8O11+ 1 953.4767 1.21
+  971.4878 C50H67N8O12+ 1 971.4873 0.56
+PK$NUM_PEAK: 18
+PK$PEAK: m/z int. rel.int.
+  140.1068 2537680 36
+  150.0912 12828710 186
+  168.1019 5961631.5 86
+  187.1223 743072.9 10
+  215.1172 3262142.8 47
+  241.1547 890483.1 12
+  243.1125 15029341 218
+  269.1495 7975274.5 115
+  295.1654 3490324.8 50
+  334.1772 1949999.5 28
+  417.2138 7540994.5 109
+  420.1921 68802328 999
+  435.2241 17921944 260
+  503.2294 6799633.5 98
+  537.271 907509.1 13
+  703.3454 1563411.8 22
+  953.4779 3539772.8 51
+  971.4878 12694393 184
+//
diff --git a/Eawag/MSBNK-MLU-ED227603.txt b/Eawag/MSBNK-MLU-ED227603.txt
new file mode 100644
index 0000000000..290b6e5701
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED227603.txt
@@ -0,0 +1,86 @@
+ACCESSION: MSBNK-MLU-ED227603
+RECORD_TITLE: Rivulariapeptolide 988; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], W. H. Gerwick [dtc], R. Reher [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2276
+CH$NAME: Rivulariapeptolide 988
+CH$NAME: N-[(2S,3S)-1-[[(2S,5S,8S,11R,12S,15E,18S,21R)-2-benzyl-15-ethylidene-21-hydroxy-5-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-3-hydroxy-1-oxobutan-2-yl]-1-butanoylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C50H68N8O13
+CH$EXACT_MASS: 988.4905842
+CH$SMILES: CCCC(=O)N1CCCC1C(=O)N[C@@H]([C@H](C)O)C(=O)N[C@H]2[C@H](OC(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](N3[C@@H](CC[C@@H](C3=O)NC(=O)/C(=C\C)/NC2=O)O)CC4=CC=CC=C4)C)CC5=CC=C(C=C5)O)C(C)C)C
+CH$IUPAC: InChI=1S/C50H68N8O13/c1-8-14-38(61)57-24-13-17-35(57)44(64)54-41(28(5)59)46(66)55-42-29(6)71-50(70)40(27(3)4)53-45(65)36(25-31-18-20-32(60)21-19-31)56(7)49(69)37(26-30-15-11-10-12-16-30)58-39(62)23-22-34(48(58)68)52-43(63)33(9-2)51-47(42)67/h9-12,15-16,18-21,27-29,34-37,39-42,59-60,62H,8,13-14,17,22-26H2,1-7H3,(H,51,67)(H,52,63)(H,53,65)(H,54,64)(H,55,66)/b33-9+/t28-,29+,34-,35?,36-,37-,39+,40-,41-,42-/m0/s1
+CH$LINK: PUBCHEM CID:154585501
+CH$LINK: INCHIKEY VOJZQYLSWQMIAF-SWYMOLAOSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 68-1025
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.779 min
+MS$FOCUSED_ION: BASE_PEAK 971.488
+MS$FOCUSED_ION: PRECURSOR_M/Z 989.4979
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 552164392.94
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0gi3-0891600000-733d7c7a6b3216ad664a
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  70.065 C4H8N+ 1 70.0651 -1.75
+  120.0808 C8H10N+ 1 120.0808 0.04
+  140.1069 C8H14NO+ 1 140.107 -0.47
+  150.0913 C9H12NO+ 1 150.0913 -0.07
+  158.0964 C11H12N+ 1 158.0964 -0.22
+  168.1019 C9H14NO2+ 1 168.1019 -0.15
+  187.1231 C12H15N2+ 1 187.123 0.61
+  215.1178 C13H15N2O+ 2 215.1179 -0.6
+  223.1441 C12H19N2O2+ 1 223.1441 0.1
+  225.1234 C11H17N2O3+ 1 225.1234 0
+  241.1542 C12H21N2O3+ 2 241.1547 -2.01
+  243.1125 C14H15N2O2+ 4 243.1128 -1.26
+  269.1496 C13H21N2O4+ 2 269.1496 0.17
+  295.1656 CH25N7O10+ 3 295.1657 -0.48
+  298.1555 C3H22N8O8+ 6 298.1555 -0.11
+  308.1291 C5H20N6O9+ 3 308.1286 1.61
+  326.1506 C4H22N8O9+ 5 326.1504 0.59
+  334.1772 C18H20N7+ 6 334.1775 -0.82
+  417.2138 C21H29N4O5+ 6 417.2132 1.35
+  420.1922 C10H28N8O10+ 6 420.1923 -0.32
+  435.2244 C21H31N4O6+ 7 435.2238 1.26
+  503.2286 C28H31N4O5+ 7 503.2289 -0.69
+PK$NUM_PEAK: 22
+PK$PEAK: m/z int. rel.int.
+  70.065 2287622.8 78
+  120.0808 2838888.8 97
+  140.1069 5027478 173
+  150.0913 24958142 859
+  158.0964 564988.4 19
+  168.1019 11489151 395
+  187.1231 2786505.2 95
+  215.1178 10553251 363
+  223.1441 1341069.9 46
+  225.1234 329986.7 11
+  241.1542 1461697.6 50
+  243.1125 26283010 905
+  269.1496 7676759.5 264
+  295.1656 4421746.5 152
+  298.1555 1293601.6 44
+  308.1291 1496420.6 51
+  326.1506 2998552 103
+  334.1772 1609907.9 55
+  417.2138 7240612.5 249
+  420.1922 29007202 999
+  435.2244 5042131.5 173
+  503.2286 2122584.8 73
+//
diff --git a/Eawag/MSBNK-MLU-ED227604.txt b/Eawag/MSBNK-MLU-ED227604.txt
new file mode 100644
index 0000000000..63b8bb416c
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED227604.txt
@@ -0,0 +1,88 @@
+ACCESSION: MSBNK-MLU-ED227604
+RECORD_TITLE: Rivulariapeptolide 988; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], W. H. Gerwick [dtc], R. Reher [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2276
+CH$NAME: Rivulariapeptolide 988
+CH$NAME: N-[(2S,3S)-1-[[(2S,5S,8S,11R,12S,15E,18S,21R)-2-benzyl-15-ethylidene-21-hydroxy-5-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-3-hydroxy-1-oxobutan-2-yl]-1-butanoylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C50H68N8O13
+CH$EXACT_MASS: 988.4905842
+CH$SMILES: CCCC(=O)N1CCCC1C(=O)N[C@@H]([C@H](C)O)C(=O)N[C@H]2[C@H](OC(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](N3[C@@H](CC[C@@H](C3=O)NC(=O)/C(=C\C)/NC2=O)O)CC4=CC=CC=C4)C)CC5=CC=C(C=C5)O)C(C)C)C
+CH$IUPAC: InChI=1S/C50H68N8O13/c1-8-14-38(61)57-24-13-17-35(57)44(64)54-41(28(5)59)46(66)55-42-29(6)71-50(70)40(27(3)4)53-45(65)36(25-31-18-20-32(60)21-19-31)56(7)49(69)37(26-30-15-11-10-12-16-30)58-39(62)23-22-34(48(58)68)52-43(63)33(9-2)51-47(42)67/h9-12,15-16,18-21,27-29,34-37,39-42,59-60,62H,8,13-14,17,22-26H2,1-7H3,(H,51,67)(H,52,63)(H,53,65)(H,54,64)(H,55,66)/b33-9+/t28-,29+,34-,35?,36-,37-,39+,40-,41-,42-/m0/s1
+CH$LINK: PUBCHEM CID:154585501
+CH$LINK: INCHIKEY VOJZQYLSWQMIAF-SWYMOLAOSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 68-1025
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.779 min
+MS$FOCUSED_ION: BASE_PEAK 971.488
+MS$FOCUSED_ION: PRECURSOR_M/Z 989.4979
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 552164392.94
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0gbc-0970000000-e0124aa749344b425372
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  70.0652 C4H8N+ 1 70.0651 0.43
+  120.0808 C8H10N+ 1 120.0808 0.23
+  140.1069 C8H14NO+ 1 140.107 -0.36
+  150.0913 C9H12NO+ 1 150.0913 0.03
+  158.0965 C11H12N+ 1 158.0964 0.74
+  168.1019 C9H14NO2+ 1 168.1019 -0.15
+  170.0957 C12H12N+ 1 170.0964 -4.44
+  179.0814 C9H11N2O2+ 1 179.0815 -0.81
+  187.1229 C12H15N2+ 1 187.123 -0.29
+  215.1177 C13H15N2O+ 2 215.1179 -0.81
+  223.1439 C12H19N2O2+ 2 223.1441 -1.13
+  225.1224 C11H17N2O3+ 2 225.1234 -4.48
+  241.1544 C12H21N2O3+ 2 241.1547 -1
+  243.1125 C14H15N2O2+ 4 243.1128 -1.07
+  249.1595 C14H21N2O2+ 4 249.1598 -0.86
+  269.1496 C13H21N2O4+ 2 269.1496 0.05
+  295.1657 CH25N7O10+ 4 295.1657 -0.17
+  298.1553 C3H22N8O8+ 5 298.1555 -0.83
+  308.1288 C5H20N6O9+ 4 308.1286 0.42
+  326.1505 C4H22N8O9+ 5 326.1504 0.21
+  334.1769 C18H20N7+ 5 334.1775 -1.65
+  417.2138 C21H29N4O5+ 6 417.2132 1.42
+  435.2243 C21H31N4O6+ 7 435.2238 1.19
+PK$NUM_PEAK: 23
+PK$PEAK: m/z int. rel.int.
+  70.0652 8286863 195
+  120.0808 11489268 271
+  140.1069 13123189 309
+  150.0913 42302624 999
+  158.0965 2748361.8 64
+  168.1019 19790906 467
+  170.0957 635028.5 14
+  179.0814 1482238.2 35
+  187.1229 8438713 199
+  215.1177 26183336 618
+  223.1439 2932908 69
+  225.1224 644950.4 15
+  241.1544 1633675.8 38
+  243.1125 36506596 862
+  249.1595 649216.8 15
+  269.1496 7095079 167
+  295.1657 4339340.5 102
+  298.1553 3143543 74
+  308.1288 2876250.2 67
+  326.1505 3609813.2 85
+  334.1769 1699403.9 40
+  417.2138 6140529.5 145
+  435.2243 2166745.2 51
+//
diff --git a/Eawag/MSBNK-MLU-ED227605.txt b/Eawag/MSBNK-MLU-ED227605.txt
new file mode 100644
index 0000000000..7407a895d4
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED227605.txt
@@ -0,0 +1,94 @@
+ACCESSION: MSBNK-MLU-ED227605
+RECORD_TITLE: Rivulariapeptolide 988; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], W. H. Gerwick [dtc], R. Reher [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2276
+CH$NAME: Rivulariapeptolide 988
+CH$NAME: N-[(2S,3S)-1-[[(2S,5S,8S,11R,12S,15E,18S,21R)-2-benzyl-15-ethylidene-21-hydroxy-5-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-3-hydroxy-1-oxobutan-2-yl]-1-butanoylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C50H68N8O13
+CH$EXACT_MASS: 988.4905842
+CH$SMILES: CCCC(=O)N1CCCC1C(=O)N[C@@H]([C@H](C)O)C(=O)N[C@H]2[C@H](OC(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](N3[C@@H](CC[C@@H](C3=O)NC(=O)/C(=C\C)/NC2=O)O)CC4=CC=CC=C4)C)CC5=CC=C(C=C5)O)C(C)C)C
+CH$IUPAC: InChI=1S/C50H68N8O13/c1-8-14-38(61)57-24-13-17-35(57)44(64)54-41(28(5)59)46(66)55-42-29(6)71-50(70)40(27(3)4)53-45(65)36(25-31-18-20-32(60)21-19-31)56(7)49(69)37(26-30-15-11-10-12-16-30)58-39(62)23-22-34(48(58)68)52-43(63)33(9-2)51-47(42)67/h9-12,15-16,18-21,27-29,34-37,39-42,59-60,62H,8,13-14,17,22-26H2,1-7H3,(H,51,67)(H,52,63)(H,53,65)(H,54,64)(H,55,66)/b33-9+/t28-,29+,34-,35?,36-,37-,39+,40-,41-,42-/m0/s1
+CH$LINK: PUBCHEM CID:154585501
+CH$LINK: INCHIKEY VOJZQYLSWQMIAF-SWYMOLAOSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 68-1025
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.779 min
+MS$FOCUSED_ION: BASE_PEAK 971.488
+MS$FOCUSED_ION: PRECURSOR_M/Z 989.4979
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 552164392.94
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0g4i-1920000000-6e307ff6025a0b3055d7
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  70.0652 C4H8N+ 1 70.0651 1.3
+  91.0542 C7H7+ 1 91.0542 -0.25
+  107.0493 C7H7O+ 1 107.0491 1.31
+  119.0493 C8H7O+ 1 119.0491 1.08
+  120.0808 C8H10N+ 1 120.0808 0.49
+  135.0676 C8H9NO+ 1 135.0679 -1.64
+  140.1069 C8H14NO+ 1 140.107 -0.36
+  146.0962 C10H12N+ 1 146.0964 -1.74
+  150.0913 C9H12NO+ 1 150.0913 -0.07
+  153.0657 C7H9N2O2+ 1 153.0659 -1.15
+  158.0965 C11H12N+ 1 158.0964 0.36
+  168.1019 C9H14NO2+ 1 168.1019 -0.06
+  170.0962 C12H12N+ 1 170.0964 -1.48
+  179.0814 C9H11N2O2+ 1 179.0815 -0.64
+  181.0969 C9H13N2O2+ 1 181.0972 -1.22
+  187.1229 C12H15N2+ 1 187.123 -0.45
+  198.0914 C13H12NO+ 1 198.0913 0.08
+  213.1024 C13H13N2O+ 2 213.1022 0.55
+  215.1178 C13H15N2O+ 2 215.1179 -0.53
+  223.1441 C12H19N2O2+ 1 223.1441 -0.17
+  243.1125 C14H15N2O2+ 4 243.1128 -1.2
+  249.1594 C14H21N2O2+ 4 249.1598 -1.41
+  269.1493 C13H21N2O4+ 2 269.1496 -1.08
+  298.1554 C3H22N8O8+ 5 298.1555 -0.52
+  308.1287 C5H20N6O9+ 4 308.1286 0.13
+  417.213 C21H29N4O5+ 6 417.2132 -0.48
+PK$NUM_PEAK: 26
+PK$PEAK: m/z int. rel.int.
+  70.0652 26350000 642
+  91.0542 2305495.5 56
+  107.0493 465053.2 11
+  119.0493 433111.5 10
+  120.0808 39657692 967
+  135.0676 413110.5 10
+  140.1069 20344992 496
+  146.0962 836739.1 20
+  150.0913 40946732 999
+  153.0657 1061231.1 25
+  158.0965 9321859 227
+  168.1019 13728040 334
+  170.0962 3296978.8 80
+  179.0814 3420682 83
+  181.0969 763697.4 18
+  187.1229 14011022 341
+  198.0914 456367 11
+  213.1024 514421.7 12
+  215.1178 25811410 629
+  223.1441 2430753.8 59
+  243.1125 7359986.5 179
+  249.1594 452997.8 11
+  269.1493 1465174 35
+  298.1554 1665241.2 40
+  308.1287 2941564 71
+  417.213 878580.7 21
+//
diff --git a/Eawag/MSBNK-MLU-ED227606.txt b/Eawag/MSBNK-MLU-ED227606.txt
new file mode 100644
index 0000000000..79a739b67b
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED227606.txt
@@ -0,0 +1,90 @@
+ACCESSION: MSBNK-MLU-ED227606
+RECORD_TITLE: Rivulariapeptolide 988; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], W. H. Gerwick [dtc], R. Reher [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2276
+CH$NAME: Rivulariapeptolide 988
+CH$NAME: N-[(2S,3S)-1-[[(2S,5S,8S,11R,12S,15E,18S,21R)-2-benzyl-15-ethylidene-21-hydroxy-5-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-3-hydroxy-1-oxobutan-2-yl]-1-butanoylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C50H68N8O13
+CH$EXACT_MASS: 988.4905842
+CH$SMILES: CCCC(=O)N1CCCC1C(=O)N[C@@H]([C@H](C)O)C(=O)N[C@H]2[C@H](OC(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](N3[C@@H](CC[C@@H](C3=O)NC(=O)/C(=C\C)/NC2=O)O)CC4=CC=CC=C4)C)CC5=CC=C(C=C5)O)C(C)C)C
+CH$IUPAC: InChI=1S/C50H68N8O13/c1-8-14-38(61)57-24-13-17-35(57)44(64)54-41(28(5)59)46(66)55-42-29(6)71-50(70)40(27(3)4)53-45(65)36(25-31-18-20-32(60)21-19-31)56(7)49(69)37(26-30-15-11-10-12-16-30)58-39(62)23-22-34(48(58)68)52-43(63)33(9-2)51-47(42)67/h9-12,15-16,18-21,27-29,34-37,39-42,59-60,62H,8,13-14,17,22-26H2,1-7H3,(H,51,67)(H,52,63)(H,53,65)(H,54,64)(H,55,66)/b33-9+/t28-,29+,34-,35?,36-,37-,39+,40-,41-,42-/m0/s1
+CH$LINK: PUBCHEM CID:154585501
+CH$LINK: INCHIKEY VOJZQYLSWQMIAF-SWYMOLAOSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 68-1025
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.779 min
+MS$FOCUSED_ION: BASE_PEAK 971.488
+MS$FOCUSED_ION: PRECURSOR_M/Z 989.4979
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 552164392.94
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00di-3900000000-5a3913e6930e096d5ac2
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  70.0652 C4H8N+ 1 70.0651 1.41
+  91.0542 C7H7+ 1 91.0542 -0.25
+  103.0543 C8H7+ 1 103.0542 0.45
+  107.0491 C7H7O+ 1 107.0491 -0.33
+  119.0493 C8H7O+ 1 119.0491 1.14
+  120.0808 C8H10N+ 1 120.0808 0.49
+  121.065 C8H9O+ 1 121.0648 1.69
+  125.0711 C6H9N2O+ 1 125.0709 1.29
+  135.0679 C8H9NO+ 1 135.0679 0.17
+  136.0755 C8H10NO+ 1 136.0757 -1.16
+  140.1069 C8H14NO+ 1 140.107 -0.36
+  146.0968 C10H12N+ 1 146.0964 2.34
+  150.0913 C9H12NO+ 1 150.0913 0.03
+  153.0659 C7H9N2O2+ 1 153.0659 0.34
+  158.0964 C11H12N+ 1 158.0964 -0.03
+  168.1019 C9H14NO2+ 1 168.1019 -0.06
+  170.0964 C12H12N+ 1 170.0964 -0.31
+  179.0815 C9H11N2O2+ 1 179.0815 -0.13
+  187.1229 C12H15N2+ 1 187.123 -0.45
+  198.0911 C13H12NO+ 1 198.0913 -1.15
+  215.1178 C13H15N2O+ 2 215.1179 -0.6
+  223.1438 C12H19N2O2+ 2 223.1441 -1.33
+  243.1125 C14H15N2O2+ 4 243.1128 -1.39
+  308.129 C5H20N6O9+ 3 308.1286 1.12
+PK$NUM_PEAK: 24
+PK$PEAK: m/z int. rel.int.
+  70.0652 44749376 831
+  91.0542 7558844 140
+  103.0543 839442.1 15
+  107.0491 1683348.8 31
+  119.0493 1024877.9 19
+  120.0808 53771372 999
+  121.065 762773.6 14
+  125.0711 891604.9 16
+  135.0679 1278984 23
+  136.0755 925836.6 17
+  140.1069 17121188 318
+  146.0968 803957.9 14
+  150.0913 36001440 668
+  153.0659 1215224.2 22
+  158.0964 13530904 251
+  168.1019 5817854.5 108
+  170.0964 6209515 115
+  179.0815 2725485 50
+  187.1229 6810801.5 126
+  198.0911 1104729.4 20
+  215.1178 8256943 153
+  223.1438 1094236.5 20
+  243.1125 1271633 23
+  308.129 1023645.2 19
+//
diff --git a/Eawag/MSBNK-MLU-ED227607.txt b/Eawag/MSBNK-MLU-ED227607.txt
new file mode 100644
index 0000000000..02660da006
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED227607.txt
@@ -0,0 +1,100 @@
+ACCESSION: MSBNK-MLU-ED227607
+RECORD_TITLE: Rivulariapeptolide 988; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], W. H. Gerwick [dtc], R. Reher [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2276
+CH$NAME: Rivulariapeptolide 988
+CH$NAME: N-[(2S,3S)-1-[[(2S,5S,8S,11R,12S,15E,18S,21R)-2-benzyl-15-ethylidene-21-hydroxy-5-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-3-hydroxy-1-oxobutan-2-yl]-1-butanoylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C50H68N8O13
+CH$EXACT_MASS: 988.4905842
+CH$SMILES: CCCC(=O)N1CCCC1C(=O)N[C@@H]([C@H](C)O)C(=O)N[C@H]2[C@H](OC(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](N3[C@@H](CC[C@@H](C3=O)NC(=O)/C(=C\C)/NC2=O)O)CC4=CC=CC=C4)C)CC5=CC=C(C=C5)O)C(C)C)C
+CH$IUPAC: InChI=1S/C50H68N8O13/c1-8-14-38(61)57-24-13-17-35(57)44(64)54-41(28(5)59)46(66)55-42-29(6)71-50(70)40(27(3)4)53-45(65)36(25-31-18-20-32(60)21-19-31)56(7)49(69)37(26-30-15-11-10-12-16-30)58-39(62)23-22-34(48(58)68)52-43(63)33(9-2)51-47(42)67/h9-12,15-16,18-21,27-29,34-37,39-42,59-60,62H,8,13-14,17,22-26H2,1-7H3,(H,51,67)(H,52,63)(H,53,65)(H,54,64)(H,55,66)/b33-9+/t28-,29+,34-,35?,36-,37-,39+,40-,41-,42-/m0/s1
+CH$LINK: PUBCHEM CID:154585501
+CH$LINK: INCHIKEY VOJZQYLSWQMIAF-SWYMOLAOSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 68-1025
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.779 min
+MS$FOCUSED_ION: BASE_PEAK 971.488
+MS$FOCUSED_ION: PRECURSOR_M/Z 989.4979
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 552164392.94
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00di-5900000000-81c4e161a2286089403c
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  70.0652 C4H8N+ 1 70.0651 1.52
+  71.0492 C4H7O+ 1 71.0491 0.82
+  80.0494 C5H6N+ 1 80.0495 -0.6
+  91.0543 C7H7+ 1 91.0542 0.34
+  93.0699 C7H9+ 1 93.0699 0.15
+  95.0605 C5H7N2+ 1 95.0604 0.9
+  96.0683 C5H8N2+ 1 96.0682 0.86
+  103.0542 C8H7+ 1 103.0542 -0.59
+  105.0698 C8H9+ 1 105.0699 -0.27
+  107.0492 C7H7O+ 1 107.0491 0.67
+  119.0491 C8H7O+ 1 119.0491 0.05
+  120.0808 C8H10N+ 1 120.0808 0.49
+  121.0285 C7H5O2+ 1 121.0284 1
+  121.065 C8H9O+ 1 121.0648 1.5
+  125.0712 C6H9N2O+ 1 125.0709 1.96
+  135.0679 C8H9NO+ 1 135.0679 0.4
+  136.076 C8H10NO+ 1 136.0757 2.32
+  140.107 C8H14NO+ 1 140.107 -0.25
+  146.0965 C10H12N+ 1 146.0964 0.25
+  150.0913 C9H12NO+ 1 150.0913 -0.07
+  153.066 C7H9N2O2+ 1 153.0659 1.04
+  158.0964 C11H12N+ 1 158.0964 -0.03
+  168.1017 C9H14NO2+ 1 168.1019 -1.14
+  170.0963 C12H12N+ 1 170.0964 -0.49
+  179.0816 C9H11N2O2+ 1 179.0815 0.38
+  187.1233 C12H15N2+ 1 187.123 1.83
+  198.0908 C13H12NO+ 2 198.0913 -2.69
+  213.1024 C13H13N2O+ 2 213.1022 0.98
+  215.1177 C13H15N2O+ 2 215.1179 -1.1
+PK$NUM_PEAK: 29
+PK$PEAK: m/z int. rel.int.
+  70.0652 44867576 999
+  71.0492 920291.3 20
+  80.0494 1068886.5 23
+  91.0543 12092906 269
+  93.0699 465863.6 10
+  95.0605 590347.8 13
+  96.0683 619056.9 13
+  103.0542 1465392.1 32
+  105.0698 460690.4 10
+  107.0492 2106225.2 46
+  119.0491 1378156.6 30
+  120.0808 35154032 782
+  121.0285 660833.5 14
+  121.065 1295873.9 28
+  125.0712 989033.1 22
+  135.0679 1769325.1 39
+  136.076 680393.2 15
+  140.107 6654653.5 148
+  146.0965 726750.5 16
+  150.0913 19512492 434
+  153.066 599595.4 13
+  158.0964 8371008 186
+  168.1017 1290212.5 28
+  170.0963 5881023.5 130
+  179.0816 1029011.5 22
+  187.1233 1186667.8 26
+  198.0908 710920 15
+  213.1024 606041.3 13
+  215.1177 1090249.2 24
+//
diff --git a/Eawag/MSBNK-MLU-ED227608.txt b/Eawag/MSBNK-MLU-ED227608.txt
new file mode 100644
index 0000000000..dd167c3a23
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED227608.txt
@@ -0,0 +1,92 @@
+ACCESSION: MSBNK-MLU-ED227608
+RECORD_TITLE: Rivulariapeptolide 988; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], W. H. Gerwick [dtc], R. Reher [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2276
+CH$NAME: Rivulariapeptolide 988
+CH$NAME: N-[(2S,3S)-1-[[(2S,5S,8S,11R,12S,15E,18S,21R)-2-benzyl-15-ethylidene-21-hydroxy-5-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-3-hydroxy-1-oxobutan-2-yl]-1-butanoylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C50H68N8O13
+CH$EXACT_MASS: 988.4905842
+CH$SMILES: CCCC(=O)N1CCCC1C(=O)N[C@@H]([C@H](C)O)C(=O)N[C@H]2[C@H](OC(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](N3[C@@H](CC[C@@H](C3=O)NC(=O)/C(=C\C)/NC2=O)O)CC4=CC=CC=C4)C)CC5=CC=C(C=C5)O)C(C)C)C
+CH$IUPAC: InChI=1S/C50H68N8O13/c1-8-14-38(61)57-24-13-17-35(57)44(64)54-41(28(5)59)46(66)55-42-29(6)71-50(70)40(27(3)4)53-45(65)36(25-31-18-20-32(60)21-19-31)56(7)49(69)37(26-30-15-11-10-12-16-30)58-39(62)23-22-34(48(58)68)52-43(63)33(9-2)51-47(42)67/h9-12,15-16,18-21,27-29,34-37,39-42,59-60,62H,8,13-14,17,22-26H2,1-7H3,(H,51,67)(H,52,63)(H,53,65)(H,54,64)(H,55,66)/b33-9+/t28-,29+,34-,35?,36-,37-,39+,40-,41-,42-/m0/s1
+CH$LINK: PUBCHEM CID:154585501
+CH$LINK: INCHIKEY VOJZQYLSWQMIAF-SWYMOLAOSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 68-1025
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.779 min
+MS$FOCUSED_ION: BASE_PEAK 971.488
+MS$FOCUSED_ION: PRECURSOR_M/Z 989.4979
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 552164392.94
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00di-9800000000-a5164ccc5a1356742052
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  70.0652 C4H8N+ 1 70.0651 1.41
+  71.0492 C4H7O+ 1 71.0491 0.93
+  80.0495 C5H6N+ 1 80.0495 0.36
+  84.0444 C4H6NO+ 1 84.0444 -0.43
+  91.0542 C7H7+ 1 91.0542 0.25
+  93.0699 C7H9+ 1 93.0699 -0.09
+  95.0605 C5H7N2+ 1 95.0604 0.9
+  96.0684 C5H8N2+ 1 96.0682 1.81
+  103.0542 C8H7+ 1 103.0542 -0.37
+  105.0697 C8H9+ 1 105.0699 -2.01
+  107.0492 C7H7O+ 1 107.0491 0.1
+  109.0647 C7H9O+ 1 109.0648 -0.51
+  119.0493 C8H7O+ 1 119.0491 1.46
+  120.0808 C8H10N+ 1 120.0808 0.49
+  121.0287 C7H5O2+ 1 121.0284 2.39
+  121.0649 C8H9O+ 1 121.0648 1.19
+  125.071 C6H9N2O+ 1 125.0709 0.32
+  135.0678 C8H9NO+ 1 135.0679 -0.28
+  136.0759 C8H10NO+ 1 136.0757 1.31
+  140.107 C8H14NO+ 1 140.107 -0.03
+  150.0913 C9H12NO+ 1 150.0913 -0.17
+  153.0697 C12H9+ 1 153.0699 -1.12
+  158.0964 C11H12N+ 1 158.0964 -0.03
+  168.0807 C12H10N+ 1 168.0808 -0.17
+  170.0963 C12H12N+ 1 170.0964 -0.49
+PK$NUM_PEAK: 25
+PK$PEAK: m/z int. rel.int.
+  70.0652 50293072 999
+  71.0492 1021540.8 20
+  80.0495 1194535.8 23
+  84.0444 617555.1 12
+  91.0542 17050116 338
+  93.0699 548399.1 10
+  95.0605 1123954.6 22
+  96.0684 742862.6 14
+  103.0542 2375961.5 47
+  105.0697 639840.2 12
+  107.0492 3338089.8 66
+  109.0647 619633.1 12
+  119.0493 1719678.2 34
+  120.0808 27663726 549
+  121.0287 929316.2 18
+  121.0649 1351778.6 26
+  125.071 1286003 25
+  135.0678 3174512.2 63
+  136.0759 516255.3 10
+  140.107 2611908.5 51
+  150.0913 13122976 260
+  153.0697 798079.5 15
+  158.0964 3807108 75
+  168.0807 860806.8 17
+  170.0963 5273345.5 104
+//
diff --git a/Eawag/MSBNK-MLU-ED227609.txt b/Eawag/MSBNK-MLU-ED227609.txt
new file mode 100644
index 0000000000..a5d155cd78
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED227609.txt
@@ -0,0 +1,90 @@
+ACCESSION: MSBNK-MLU-ED227609
+RECORD_TITLE: Rivulariapeptolide 988; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], W. H. Gerwick [dtc], R. Reher [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2276
+CH$NAME: Rivulariapeptolide 988
+CH$NAME: N-[(2S,3S)-1-[[(2S,5S,8S,11R,12S,15E,18S,21R)-2-benzyl-15-ethylidene-21-hydroxy-5-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-3-hydroxy-1-oxobutan-2-yl]-1-butanoylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C50H68N8O13
+CH$EXACT_MASS: 988.4905842
+CH$SMILES: CCCC(=O)N1CCCC1C(=O)N[C@@H]([C@H](C)O)C(=O)N[C@H]2[C@H](OC(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](N3[C@@H](CC[C@@H](C3=O)NC(=O)/C(=C\C)/NC2=O)O)CC4=CC=CC=C4)C)CC5=CC=C(C=C5)O)C(C)C)C
+CH$IUPAC: InChI=1S/C50H68N8O13/c1-8-14-38(61)57-24-13-17-35(57)44(64)54-41(28(5)59)46(66)55-42-29(6)71-50(70)40(27(3)4)53-45(65)36(25-31-18-20-32(60)21-19-31)56(7)49(69)37(26-30-15-11-10-12-16-30)58-39(62)23-22-34(48(58)68)52-43(63)33(9-2)51-47(42)67/h9-12,15-16,18-21,27-29,34-37,39-42,59-60,62H,8,13-14,17,22-26H2,1-7H3,(H,51,67)(H,52,63)(H,53,65)(H,54,64)(H,55,66)/b33-9+/t28-,29+,34-,35?,36-,37-,39+,40-,41-,42-/m0/s1
+CH$LINK: PUBCHEM CID:154585501
+CH$LINK: INCHIKEY VOJZQYLSWQMIAF-SWYMOLAOSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 68-1025
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.779 min
+MS$FOCUSED_ION: BASE_PEAK 971.488
+MS$FOCUSED_ION: PRECURSOR_M/Z 989.4979
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 552164392.94
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00di-9600000000-103686d8e5546ea6064b
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  70.0653 C4H8N+ 1 70.0651 1.85
+  71.0493 C4H7O+ 1 71.0491 2.01
+  80.0495 C5H6N+ 1 80.0495 0.74
+  84.0443 C4H6NO+ 1 84.0444 -0.7
+  91.0543 C7H7+ 1 91.0542 0.51
+  93.0699 C7H9+ 1 93.0699 0.56
+  95.0604 C5H7N2+ 1 95.0604 0.49
+  96.0683 C5H8N2+ 1 96.0682 0.7
+  103.0543 C8H7+ 1 103.0542 0.52
+  105.07 C8H9+ 1 105.0699 1.47
+  107.0493 C7H7O+ 1 107.0491 1.1
+  109.0646 C7H9O+ 1 109.0648 -1.77
+  119.0492 C8H7O+ 1 119.0491 0.63
+  120.0809 C8H10N+ 1 120.0808 0.68
+  121.0286 C7H5O2+ 1 121.0284 1.51
+  121.0649 C8H9O+ 1 121.0648 1.25
+  125.0713 C6H9N2O+ 1 125.0709 2.64
+  135.0679 C8H9NO+ 1 135.0679 0.62
+  140.1069 C8H14NO+ 1 140.107 -0.68
+  150.0914 C9H12NO+ 1 150.0913 0.23
+  153.07 C12H9+ 1 153.0699 1.08
+  158.0966 C11H12N+ 1 158.0964 1.03
+  168.0808 C12H10N+ 1 168.0808 0.28
+  170.0964 C12H12N+ 1 170.0964 -0.04
+PK$NUM_PEAK: 24
+PK$PEAK: m/z int. rel.int.
+  70.0653 47769592 999
+  71.0493 857522.6 17
+  80.0495 1260788.8 26
+  84.0443 585958.8 12
+  91.0543 20251134 423
+  93.0699 1123885.9 23
+  95.0604 1013771.3 21
+  96.0683 669379.2 13
+  103.0543 4154630.5 86
+  105.07 647303.4 13
+  107.0493 3543053.2 74
+  109.0646 864625.9 18
+  119.0492 1455911.9 30
+  120.0809 19310428 403
+  121.0286 568067.8 11
+  121.0649 1379260.5 28
+  125.0713 618163.2 12
+  135.0679 4447464 93
+  140.1069 815349.8 17
+  150.0914 6261391 130
+  153.07 890500.5 18
+  158.0966 1014408.3 21
+  168.0808 906679.6 18
+  170.0964 2899885.5 60
+//
diff --git a/Eawag/MSBNK-MLU-ED227651.txt b/Eawag/MSBNK-MLU-ED227651.txt
new file mode 100644
index 0000000000..b99abb9ec1
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED227651.txt
@@ -0,0 +1,50 @@
+ACCESSION: MSBNK-MLU-ED227651
+RECORD_TITLE: Rivulariapeptolide 988; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], W. H. Gerwick [dtc], R. Reher [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2276
+CH$NAME: Rivulariapeptolide 988
+CH$NAME: N-[(2S,3S)-1-[[(2S,5S,8S,11R,12S,15E,18S,21R)-2-benzyl-15-ethylidene-21-hydroxy-5-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-3-hydroxy-1-oxobutan-2-yl]-1-butanoylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C50H68N8O13
+CH$EXACT_MASS: 988.4905842
+CH$SMILES: CCCC(=O)N1CCCC1C(=O)N[C@@H]([C@H](C)O)C(=O)N[C@H]2[C@H](OC(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](N3[C@@H](CC[C@@H](C3=O)NC(=O)/C(=C\C)/NC2=O)O)CC4=CC=CC=C4)C)CC5=CC=C(C=C5)O)C(C)C)C
+CH$IUPAC: InChI=1S/C50H68N8O13/c1-8-14-38(61)57-24-13-17-35(57)44(64)54-41(28(5)59)46(66)55-42-29(6)71-50(70)40(27(3)4)53-45(65)36(25-31-18-20-32(60)21-19-31)56(7)49(69)37(26-30-15-11-10-12-16-30)58-39(62)23-22-34(48(58)68)52-43(63)33(9-2)51-47(42)67/h9-12,15-16,18-21,27-29,34-37,39-42,59-60,62H,8,13-14,17,22-26H2,1-7H3,(H,51,67)(H,52,63)(H,53,65)(H,54,64)(H,55,66)/b33-9+/t28-,29+,34-,35?,36-,37-,39+,40-,41-,42-/m0/s1
+CH$LINK: PUBCHEM CID:154585501
+CH$LINK: INCHIKEY VOJZQYLSWQMIAF-SWYMOLAOSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 68-1025
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.800 min
+MS$FOCUSED_ION: BASE_PEAK 987.4832
+MS$FOCUSED_ION: PRECURSOR_M/Z 987.4833
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 1762380879.69
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-000l-0000001009-162bd0613c3f6a17791d
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  654.3263 C33H50O13- 8 654.3257 0.93
+  698.3526 C36H50N4O10- 9 698.3532 -0.89
+  943.4581 C50H65N5O13- 2 943.4584 -0.35
+  987.4843 C50H67N8O13- 1 987.4833 1.05
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  654.3263 85763152 235
+  698.3526 50253596 138
+  943.4581 321487904 884
+  987.4843 363197248 999
+//
diff --git a/Eawag/MSBNK-MLU-ED227652.txt b/Eawag/MSBNK-MLU-ED227652.txt
new file mode 100644
index 0000000000..6dfa3293a2
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED227652.txt
@@ -0,0 +1,58 @@
+ACCESSION: MSBNK-MLU-ED227652
+RECORD_TITLE: Rivulariapeptolide 988; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], W. H. Gerwick [dtc], R. Reher [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2276
+CH$NAME: Rivulariapeptolide 988
+CH$NAME: N-[(2S,3S)-1-[[(2S,5S,8S,11R,12S,15E,18S,21R)-2-benzyl-15-ethylidene-21-hydroxy-5-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-3-hydroxy-1-oxobutan-2-yl]-1-butanoylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C50H68N8O13
+CH$EXACT_MASS: 988.4905842
+CH$SMILES: CCCC(=O)N1CCCC1C(=O)N[C@@H]([C@H](C)O)C(=O)N[C@H]2[C@H](OC(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](N3[C@@H](CC[C@@H](C3=O)NC(=O)/C(=C\C)/NC2=O)O)CC4=CC=CC=C4)C)CC5=CC=C(C=C5)O)C(C)C)C
+CH$IUPAC: InChI=1S/C50H68N8O13/c1-8-14-38(61)57-24-13-17-35(57)44(64)54-41(28(5)59)46(66)55-42-29(6)71-50(70)40(27(3)4)53-45(65)36(25-31-18-20-32(60)21-19-31)56(7)49(69)37(26-30-15-11-10-12-16-30)58-39(62)23-22-34(48(58)68)52-43(63)33(9-2)51-47(42)67/h9-12,15-16,18-21,27-29,34-37,39-42,59-60,62H,8,13-14,17,22-26H2,1-7H3,(H,51,67)(H,52,63)(H,53,65)(H,54,64)(H,55,66)/b33-9+/t28-,29+,34-,35?,36-,37-,39+,40-,41-,42-/m0/s1
+CH$LINK: PUBCHEM CID:154585501
+CH$LINK: INCHIKEY VOJZQYLSWQMIAF-SWYMOLAOSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 68-1025
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.800 min
+MS$FOCUSED_ION: BASE_PEAK 987.4832
+MS$FOCUSED_ION: PRECURSOR_M/Z 987.4833
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 1762380879.69
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0f6x-0000004009-d50756cbd9961ec46bae
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  579.2451 C29H39O12- 8 579.2447 0.75
+  636.3062 C36H40N6O5- 8 636.3066 -0.64
+  654.326 C33H50O13- 9 654.3257 0.47
+  655.3288 C41H43N4O4- 9 655.329 -0.27
+  698.353 C36H50N4O10- 8 698.3532 -0.36
+  719.341 C37H47N6O9- 9 719.341 -0.04
+  943.4579 C50H65N5O13- 2 943.4584 -0.61
+  987.4842 C50H67N8O13- 1 987.4833 0.87
+PK$NUM_PEAK: 8
+PK$PEAK: m/z int. rel.int.
+  579.2451 9153491 31
+  636.3062 21501512 74
+  654.326 156484768 539
+  655.3288 9451855 32
+  698.353 11566319 39
+  719.341 8796203 30
+  943.4579 289738400 999
+  987.4842 100995472 348
+//
diff --git a/Eawag/MSBNK-MLU-ED227653.txt b/Eawag/MSBNK-MLU-ED227653.txt
new file mode 100644
index 0000000000..4dfea75293
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED227653.txt
@@ -0,0 +1,90 @@
+ACCESSION: MSBNK-MLU-ED227653
+RECORD_TITLE: Rivulariapeptolide 988; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], W. H. Gerwick [dtc], R. Reher [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2276
+CH$NAME: Rivulariapeptolide 988
+CH$NAME: N-[(2S,3S)-1-[[(2S,5S,8S,11R,12S,15E,18S,21R)-2-benzyl-15-ethylidene-21-hydroxy-5-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-3-hydroxy-1-oxobutan-2-yl]-1-butanoylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C50H68N8O13
+CH$EXACT_MASS: 988.4905842
+CH$SMILES: CCCC(=O)N1CCCC1C(=O)N[C@@H]([C@H](C)O)C(=O)N[C@H]2[C@H](OC(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](N3[C@@H](CC[C@@H](C3=O)NC(=O)/C(=C\C)/NC2=O)O)CC4=CC=CC=C4)C)CC5=CC=C(C=C5)O)C(C)C)C
+CH$IUPAC: InChI=1S/C50H68N8O13/c1-8-14-38(61)57-24-13-17-35(57)44(64)54-41(28(5)59)46(66)55-42-29(6)71-50(70)40(27(3)4)53-45(65)36(25-31-18-20-32(60)21-19-31)56(7)49(69)37(26-30-15-11-10-12-16-30)58-39(62)23-22-34(48(58)68)52-43(63)33(9-2)51-47(42)67/h9-12,15-16,18-21,27-29,34-37,39-42,59-60,62H,8,13-14,17,22-26H2,1-7H3,(H,51,67)(H,52,63)(H,53,65)(H,54,64)(H,55,66)/b33-9+/t28-,29+,34-,35?,36-,37-,39+,40-,41-,42-/m0/s1
+CH$LINK: PUBCHEM CID:154585501
+CH$LINK: INCHIKEY VOJZQYLSWQMIAF-SWYMOLAOSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 68-1025
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.800 min
+MS$FOCUSED_ION: BASE_PEAK 987.4832
+MS$FOCUSED_ION: PRECURSOR_M/Z 987.4833
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 1762380879.69
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0udr-0111009100-ba5dc2b56694e144b803
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  139.0502 C4H5N5O- 1 139.05 1.75
+  142.0497 C4H6N4O2- 1 142.0496 0.76
+  152.0704 C6H8N4O- 1 152.0704 0.57
+  170.0924 C5H10N6O- 1 170.0922 1.32
+  183.1125 C7H13N5O- 1 183.1126 -0.17
+  195.0762 C7H9N5O2- 1 195.0762 0.33
+  223.1077 C9H13N5O2- 1 223.1075 0.88
+  240.134 C9H16N6O2- 1 240.134 0
+  241.1177 C8H19NO7- 3 241.1167 4.02
+  261.087 C11H11N5O3- 2 261.0867 1.11
+  293.1498 C13H19N5O3- 3 293.1493 1.65
+  306.1445 C13H18N6O3- 3 306.1446 -0.22
+  373.1878 C19H25N4O4- 5 373.1881 -0.79
+  383.1717 C19H27O8- 4 383.1711 1.54
+  401.181 C17H27N3O8- 4 401.1804 1.5
+  430.209 C21H28N5O5- 5 430.2096 -1.32
+  618.3037 C46H38N2- 7 618.304 -0.63
+  636.3057 C35H44N2O9- 7 636.3052 0.79
+  654.3263 C33H50O13- 8 654.3257 0.93
+  702.315 C37H44N5O9- 8 702.3145 0.82
+  719.3414 C37H47N6O9- 9 719.341 0.56
+  777.3836 C42H55N3O11- 6 777.3842 -0.78
+  925.4476 C48H61N8O11- 2 925.4465 1.14
+  987.4838 C50H67N8O13- 1 987.4833 0.5
+PK$NUM_PEAK: 24
+PK$PEAK: m/z int. rel.int.
+  139.0502 4824066 50
+  142.0497 2423700.8 25
+  152.0704 4821089 50
+  170.0924 3379222.5 35
+  183.1125 3993877 41
+  195.0762 12506510 130
+  223.1077 6460563 67
+  240.134 6550243 68
+  241.1177 2286391.8 23
+  261.087 3199143.8 33
+  293.1498 8127388.5 84
+  306.1445 2995364.5 31
+  373.1878 13918157 144
+  383.1717 13578615 141
+  401.181 4640666.5 48
+  430.209 3800990.8 39
+  618.3037 21694900 225
+  636.3057 55917908 581
+  654.3263 96081232 999
+  702.315 11150118 115
+  719.3414 12616197 131
+  777.3836 14034215 145
+  925.4476 6058549.5 62
+  987.4838 7012218.5 72
+//
diff --git a/Eawag/MSBNK-MLU-ED227701.txt b/Eawag/MSBNK-MLU-ED227701.txt
new file mode 100644
index 0000000000..63561e1a70
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED227701.txt
@@ -0,0 +1,58 @@
+ACCESSION: MSBNK-MLU-ED227701
+RECORD_TITLE: Molassamide B; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], W. H. Gerwick [dtc], R. Reher [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2277
+CH$NAME: Molassamide B
+CH$NAME: N-[(15E)-2-benzyl-5-[(3-bromo-4-hydroxyphenyl)methyl]-15-ethylidene-21-hydroxy-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]-2-[2-(butanoylamino)propanoylamino]-3-hydroxybutanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C48H65BrN8O13
+CH$EXACT_MASS: 1040.385446
+CH$SMILES: CCCC(=O)NC(C)C(=O)NC(C(C)O)C(=O)NC1C(OC(=O)C(NC(=O)C(N(C(=O)C(N2C(CCC(C2=O)NC(=O)/C(=C\C)/NC1=O)O)CC3=CC=CC=C3)C)CC4=CC(=C(C=C4)O)Br)C(C)C)C
+CH$IUPAC: InChI=1S/C48H65BrN8O13/c1-9-14-36(60)50-25(5)41(62)54-39(26(6)58)44(65)55-40-27(7)70-48(69)38(24(3)4)53-43(64)33(23-29-17-19-35(59)30(49)21-29)56(8)47(68)34(22-28-15-12-11-13-16-28)57-37(61)20-18-32(46(57)67)52-42(63)31(10-2)51-45(40)66/h10-13,15-17,19,21,24-27,32-34,37-40,58-59,61H,9,14,18,20,22-23H2,1-8H3,(H,50,60)(H,51,66)(H,52,63)(H,53,64)(H,54,62)(H,55,65)/b31-10+
+CH$LINK: PUBCHEM CID:154585486
+CH$LINK: INCHIKEY RHDUBBRUOVMSBW-VNTWQREPSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 72-1080
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.890 min
+MS$FOCUSED_ION: BASE_PEAK 1025.3811
+MS$FOCUSED_ION: PRECURSOR_M/Z 1041.3927
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 120271994.81
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00dj-9000600010-1ecfef2ff8726bcfc613
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  243.1338 C11H19N2O4+ 2 243.1339 -0.55
+  268.1288 C12H18N3O4+ 2 268.1292 -1.43
+  409.2085 C21H36BrN3+ 13 409.2087 -0.43
+  498.1024 C24H25BrN3O4+ 14 498.1023 0.28
+  581.1395 C28H30BrN4O5+ 17 581.1394 0.21
+  882.3034 C43H55BrN4O11+ 6 882.3045 -1.27
+  1005.3728 C48H62BrN8O11+ 1 1005.3716 1.15
+  1023.3823 C48H64BrN8O12+ 1 1023.3822 0.13
+PK$NUM_PEAK: 8
+PK$PEAK: m/z int. rel.int.
+  243.1338 340264.7 13
+  268.1288 486004.3 19
+  409.2085 6228075 249
+  498.1024 13868942 556
+  581.1395 1751209.2 70
+  882.3034 4161116.5 167
+  1005.3728 1428295.6 57
+  1023.3823 24890824 999
+//
diff --git a/Eawag/MSBNK-MLU-ED227702.txt b/Eawag/MSBNK-MLU-ED227702.txt
new file mode 100644
index 0000000000..e75cb9ffb2
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED227702.txt
@@ -0,0 +1,78 @@
+ACCESSION: MSBNK-MLU-ED227702
+RECORD_TITLE: Molassamide B; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], W. H. Gerwick [dtc], R. Reher [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2277
+CH$NAME: Molassamide B
+CH$NAME: N-[(15E)-2-benzyl-5-[(3-bromo-4-hydroxyphenyl)methyl]-15-ethylidene-21-hydroxy-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]-2-[2-(butanoylamino)propanoylamino]-3-hydroxybutanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C48H65BrN8O13
+CH$EXACT_MASS: 1040.385446
+CH$SMILES: CCCC(=O)NC(C)C(=O)NC(C(C)O)C(=O)NC1C(OC(=O)C(NC(=O)C(N(C(=O)C(N2C(CCC(C2=O)NC(=O)/C(=C\C)/NC1=O)O)CC3=CC=CC=C3)C)CC4=CC(=C(C=C4)O)Br)C(C)C)C
+CH$IUPAC: InChI=1S/C48H65BrN8O13/c1-9-14-36(60)50-25(5)41(62)54-39(26(6)58)44(65)55-40-27(7)70-48(69)38(24(3)4)53-43(64)33(23-29-17-19-35(59)30(49)21-29)56(8)47(68)34(22-28-15-12-11-13-16-28)57-37(61)20-18-32(46(57)67)52-42(63)31(10-2)51-45(40)66/h10-13,15-17,19,21,24-27,32-34,37-40,58-59,61H,9,14,18,20,22-23H2,1-8H3,(H,50,60)(H,51,66)(H,52,63)(H,53,64)(H,54,62)(H,55,65)/b31-10+
+CH$LINK: PUBCHEM CID:154585486
+CH$LINK: INCHIKEY RHDUBBRUOVMSBW-VNTWQREPSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 72-1080
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.890 min
+MS$FOCUSED_ION: BASE_PEAK 1025.3811
+MS$FOCUSED_ION: PRECURSOR_M/Z 1041.3927
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 120271994.81
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0002-1040900000-1f0e3d068d0f1f541a71
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  74.0599 C3H8NO+ 1 74.06 -2.03
+  120.0805 C8H10N+ 1 120.0808 -2.69
+  142.0856 C7H12NO2+ 2 142.0863 -4.48
+  167.0814 C8H11N2O2+ 1 167.0815 -0.61
+  187.123 C12H15N2+ 1 187.123 0.12
+  215.1175 BrH28N2O5+ 4 215.1176 -0.44
+  228.0013 C7H4N2O7+ 3 228.0013 -0.14
+  243.1124 CH28BrN2O6+ 5 243.1125 -0.62
+  243.1342 C11H19N2O4+ 2 243.1339 1.08
+  268.129 C12H18N3O4+ 4 268.1292 -0.63
+  308.161 CH24N8O10+ 8 308.161 -0.12
+  373.0772 C16H18BrN6+ 11 373.0771 0.44
+  409.2085 C21H36BrN3+ 12 409.2087 -0.58
+  498.1023 C24H25BrN3O4+ 15 498.1023 -0.03
+  581.1394 C28H30BrN4O5+ 17 581.1394 0
+  882.3034 C43H55BrN4O11+ 6 882.3045 -1.27
+  1005.3739 C48H62BrN8O11+ 1 1005.3716 2.25
+  1023.3823 C48H64BrN8O12+ 1 1023.3822 0.13
+PK$NUM_PEAK: 18
+PK$PEAK: m/z int. rel.int.
+  74.0599 794271 32
+  120.0805 433586.1 17
+  142.0856 241867.9 9
+  167.0814 250960.3 10
+  187.123 439016.4 18
+  215.1175 1760469.5 72
+  228.0013 3363180 139
+  243.1124 6603535.5 273
+  243.1342 1623986.8 67
+  268.129 2834083.2 117
+  308.161 430962.4 17
+  373.0772 1218129.8 50
+  409.2085 5185370 214
+  498.1023 24164488 999
+  581.1394 2421647.2 100
+  882.3034 2260579.8 93
+  1005.3739 533907.8 22
+  1023.3823 3151061 130
+//
diff --git a/Eawag/MSBNK-MLU-ED227703.txt b/Eawag/MSBNK-MLU-ED227703.txt
new file mode 100644
index 0000000000..fde80ffb1b
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED227703.txt
@@ -0,0 +1,80 @@
+ACCESSION: MSBNK-MLU-ED227703
+RECORD_TITLE: Molassamide B; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], W. H. Gerwick [dtc], R. Reher [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2277
+CH$NAME: Molassamide B
+CH$NAME: N-[(15E)-2-benzyl-5-[(3-bromo-4-hydroxyphenyl)methyl]-15-ethylidene-21-hydroxy-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]-2-[2-(butanoylamino)propanoylamino]-3-hydroxybutanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C48H65BrN8O13
+CH$EXACT_MASS: 1040.385446
+CH$SMILES: CCCC(=O)NC(C)C(=O)NC(C(C)O)C(=O)NC1C(OC(=O)C(NC(=O)C(N(C(=O)C(N2C(CCC(C2=O)NC(=O)/C(=C\C)/NC1=O)O)CC3=CC=CC=C3)C)CC4=CC(=C(C=C4)O)Br)C(C)C)C
+CH$IUPAC: InChI=1S/C48H65BrN8O13/c1-9-14-36(60)50-25(5)41(62)54-39(26(6)58)44(65)55-40-27(7)70-48(69)38(24(3)4)53-43(64)33(23-29-17-19-35(59)30(49)21-29)56(8)47(68)34(22-28-15-12-11-13-16-28)57-37(61)20-18-32(46(57)67)52-42(63)31(10-2)51-45(40)66/h10-13,15-17,19,21,24-27,32-34,37-40,58-59,61H,9,14,18,20,22-23H2,1-8H3,(H,50,60)(H,51,66)(H,52,63)(H,53,64)(H,54,62)(H,55,65)/b31-10+
+CH$LINK: PUBCHEM CID:154585486
+CH$LINK: INCHIKEY RHDUBBRUOVMSBW-VNTWQREPSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 72-1080
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.890 min
+MS$FOCUSED_ION: BASE_PEAK 1025.3811
+MS$FOCUSED_ION: PRECURSOR_M/Z 1041.3927
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 120271994.81
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00mp-0190300000-dbfdcec9e494a4796ae3
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  74.06 C3H8NO+ 1 74.06 0.13
+  120.0807 C8H10N+ 1 120.0808 -0.78
+  142.0863 C7H12NO2+ 1 142.0863 0.03
+  158.0963 C11H12N+ 1 158.0964 -0.71
+  167.0815 C8H11N2O2+ 1 167.0815 -0.25
+  179.0816 C9H11N2O2+ 1 179.0815 0.47
+  187.1227 C12H15N2+ 1 187.123 -1.43
+  215.1177 BrH28N2O5+ 3 215.1176 0.48
+  224.103 C10H14N3O3+ 1 224.103 0.08
+  228.0014 C7H4N2O7+ 3 228.0013 0.46
+  243.1123 CH28BrN2O6+ 5 243.1125 -0.74
+  243.134 C11H19N2O4+ 1 243.1339 0.26
+  250.1184 C12H16N3O3+ 2 250.1186 -0.88
+  268.1291 C12H18N3O4+ 4 268.1292 -0.4
+  298.1546 C4H33BrN3O6+ 9 298.1547 -0.44
+  373.077 C16H18BrN6+ 10 373.0771 -0.13
+  391.1983 C7H36BrN8O5+ 9 391.1987 -0.95
+  498.1024 C24H25BrN3O4+ 14 498.1023 0.28
+  1023.3813 C48H64BrN8O12+ 1 1023.3822 -0.89
+PK$NUM_PEAK: 19
+PK$PEAK: m/z int. rel.int.
+  74.06 2248429.2 177
+  120.0807 1878752.1 148
+  142.0863 643046.9 50
+  158.0963 341123.1 26
+  167.0815 595733.8 47
+  179.0816 244572.2 19
+  187.1227 1587522.8 125
+  215.1177 6193722 489
+  224.103 160027.6 12
+  228.0014 9277469 732
+  243.1123 12651100 999
+  243.134 1687790.4 133
+  250.1184 516302.6 40
+  268.1291 3882288.2 306
+  298.1546 812071.2 64
+  373.077 2015242.8 159
+  391.1983 1622102.1 128
+  498.1024 12522747 988
+  1023.3813 281540 22
+//
diff --git a/Eawag/MSBNK-MLU-ED227704.txt b/Eawag/MSBNK-MLU-ED227704.txt
new file mode 100644
index 0000000000..3a8762b6f1
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED227704.txt
@@ -0,0 +1,90 @@
+ACCESSION: MSBNK-MLU-ED227704
+RECORD_TITLE: Molassamide B; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], W. H. Gerwick [dtc], R. Reher [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2277
+CH$NAME: Molassamide B
+CH$NAME: N-[(15E)-2-benzyl-5-[(3-bromo-4-hydroxyphenyl)methyl]-15-ethylidene-21-hydroxy-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]-2-[2-(butanoylamino)propanoylamino]-3-hydroxybutanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C48H65BrN8O13
+CH$EXACT_MASS: 1040.385446
+CH$SMILES: CCCC(=O)NC(C)C(=O)NC(C(C)O)C(=O)NC1C(OC(=O)C(NC(=O)C(N(C(=O)C(N2C(CCC(C2=O)NC(=O)/C(=C\C)/NC1=O)O)CC3=CC=CC=C3)C)CC4=CC(=C(C=C4)O)Br)C(C)C)C
+CH$IUPAC: InChI=1S/C48H65BrN8O13/c1-9-14-36(60)50-25(5)41(62)54-39(26(6)58)44(65)55-40-27(7)70-48(69)38(24(3)4)53-43(64)33(23-29-17-19-35(59)30(49)21-29)56(8)47(68)34(22-28-15-12-11-13-16-28)57-37(61)20-18-32(46(57)67)52-42(63)31(10-2)51-45(40)66/h10-13,15-17,19,21,24-27,32-34,37-40,58-59,61H,9,14,18,20,22-23H2,1-8H3,(H,50,60)(H,51,66)(H,52,63)(H,53,64)(H,54,62)(H,55,65)/b31-10+
+CH$LINK: PUBCHEM CID:154585486
+CH$LINK: INCHIKEY RHDUBBRUOVMSBW-VNTWQREPSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 72-1080
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.890 min
+MS$FOCUSED_ION: BASE_PEAK 1025.3811
+MS$FOCUSED_ION: PRECURSOR_M/Z 1041.3927
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 120271994.81
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-01dl-0390000000-5074ace22282b8fa9f3d
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  74.0601 C3H8NO+ 1 74.06 0.23
+  114.0913 C6H12NO+ 1 114.0913 -0.19
+  120.0808 C8H10N+ 1 120.0808 -0.15
+  139.0862 C7H11N2O+ 1 139.0866 -3.08
+  142.0862 C7H12NO2+ 1 142.0863 -0.72
+  146.0964 C10H12N+ 1 146.0964 -0.38
+  158.0964 C11H12N+ 1 158.0964 -0.22
+  167.0814 C8H11N2O2+ 1 167.0815 -0.7
+  170.096 C12H12N+ 1 170.0964 -2.38
+  179.0813 C9H11N2O2+ 1 179.0815 -1.32
+  187.1228 C12H15N2+ 1 187.123 -0.94
+  197.1281 C10H17N2O2+ 2 197.1285 -1.94
+  215.1177 BrH28N2O5+ 3 215.1176 0.2
+  224.1025 C10H14N3O3+ 2 224.103 -2.03
+  228.0014 C7H4N2O7+ 3 228.0013 0.46
+  243.1123 CH28BrN2O6+ 5 243.1125 -0.87
+  243.1335 C11H19N2O4+ 2 243.1339 -1.68
+  250.1183 C12H16N3O3+ 2 250.1186 -1.31
+  268.129 C12H18N3O4+ 4 268.1292 -0.74
+  308.161 CH24N8O10+ 8 308.161 0.18
+  326.1493 C3H26N4O13+ 8 326.1491 0.57
+  373.0769 C16H18BrN6+ 10 373.0771 -0.46
+  391.1984 C7H36BrN8O5+ 10 391.1987 -0.56
+  498.1022 C24H25BrN3O4+ 15 498.1023 -0.09
+PK$NUM_PEAK: 24
+PK$PEAK: m/z int. rel.int.
+  74.0601 4038978 312
+  114.0913 392426.8 30
+  120.0808 5513271.5 427
+  139.0862 168485.8 13
+  142.0862 1293669.9 100
+  146.0964 144030.5 11
+  158.0964 992311 76
+  167.0814 977628.1 75
+  170.096 373361 28
+  179.0813 762220.7 59
+  187.1228 4053000 313
+  197.1281 273592.1 21
+  215.1177 12246514 948
+  224.1025 420764.4 32
+  228.0014 12895974 999
+  243.1123 11833518 916
+  243.1335 997946.3 77
+  250.1183 1051254.6 81
+  268.129 3150787.5 244
+  308.161 313604.5 24
+  326.1493 1233529.1 95
+  373.0769 1592320.4 123
+  391.1984 1143684.5 88
+  498.1022 2966904 229
+//
diff --git a/Eawag/MSBNK-MLU-ED227705.txt b/Eawag/MSBNK-MLU-ED227705.txt
new file mode 100644
index 0000000000..2418dcfc14
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED227705.txt
@@ -0,0 +1,96 @@
+ACCESSION: MSBNK-MLU-ED227705
+RECORD_TITLE: Molassamide B; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], W. H. Gerwick [dtc], R. Reher [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2277
+CH$NAME: Molassamide B
+CH$NAME: N-[(15E)-2-benzyl-5-[(3-bromo-4-hydroxyphenyl)methyl]-15-ethylidene-21-hydroxy-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]-2-[2-(butanoylamino)propanoylamino]-3-hydroxybutanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C48H65BrN8O13
+CH$EXACT_MASS: 1040.385446
+CH$SMILES: CCCC(=O)NC(C)C(=O)NC(C(C)O)C(=O)NC1C(OC(=O)C(NC(=O)C(N(C(=O)C(N2C(CCC(C2=O)NC(=O)/C(=C\C)/NC1=O)O)CC3=CC=CC=C3)C)CC4=CC(=C(C=C4)O)Br)C(C)C)C
+CH$IUPAC: InChI=1S/C48H65BrN8O13/c1-9-14-36(60)50-25(5)41(62)54-39(26(6)58)44(65)55-40-27(7)70-48(69)38(24(3)4)53-43(64)33(23-29-17-19-35(59)30(49)21-29)56(8)47(68)34(22-28-15-12-11-13-16-28)57-37(61)20-18-32(46(57)67)52-42(63)31(10-2)51-45(40)66/h10-13,15-17,19,21,24-27,32-34,37-40,58-59,61H,9,14,18,20,22-23H2,1-8H3,(H,50,60)(H,51,66)(H,52,63)(H,53,64)(H,54,62)(H,55,65)/b31-10+
+CH$LINK: PUBCHEM CID:154585486
+CH$LINK: INCHIKEY RHDUBBRUOVMSBW-VNTWQREPSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 72-1080
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.890 min
+MS$FOCUSED_ION: BASE_PEAK 1025.3811
+MS$FOCUSED_ION: PRECURSOR_M/Z 1041.3927
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 120271994.81
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00fr-1970000000-6033a05819e84b275c18
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  74.0601 C3H8NO+ 1 74.06 0.34
+  91.0541 C7H7+ 1 91.0542 -1.92
+  103.054 C8H7+ 1 103.0542 -1.85
+  113.0708 C5H9N2O+ 1 113.0709 -0.9
+  114.0913 C6H12NO+ 1 114.0913 -0.13
+  120.0808 C8H10N+ 1 120.0808 -0.09
+  139.0865 C7H11N2O+ 1 139.0866 -0.78
+  142.0862 C7H12NO2+ 1 142.0863 -0.29
+  146.0964 C10H12N+ 1 146.0964 0.04
+  149.0835 C9H11NO+ 1 149.0835 -0.29
+  153.0656 C7H9N2O2+ 1 153.0659 -1.35
+  158.0963 C11H12N+ 1 158.0964 -0.61
+  167.0814 C8H11N2O2+ 1 167.0815 -0.61
+  170.0963 C12H12N+ 1 170.0964 -0.94
+  179.0813 C9H11N2O2+ 1 179.0815 -1.15
+  187.1228 C12H15N2+ 1 187.123 -1.02
+  197.1281 C10H17N2O2+ 1 197.1285 -1.56
+  198.0914 C13H12NO+ 2 198.0913 0.23
+  213.1016 BrH26N2O5+ 3 213.102 -1.72
+  215.1177 BrH28N2O5+ 3 215.1176 0.2
+  224.1028 C10H14N3O3+ 1 224.103 -0.8
+  228.0014 C7H4N2O7+ 3 228.0013 0.4
+  243.1122 CH28BrN2O6+ 5 243.1125 -1.37
+  250.1183 C12H16N3O3+ 2 250.1186 -1.24
+  298.1547 C4H33BrN3O6+ 9 298.1547 0.07
+  326.1492 C3H26N4O13+ 8 326.1491 0.2
+  386.0396 C18H6N6O5+ 9 386.0394 0.44
+PK$NUM_PEAK: 27
+PK$PEAK: m/z int. rel.int.
+  74.0601 4890182 302
+  91.0541 858640.4 53
+  103.054 178040.5 11
+  113.0708 183682.5 11
+  114.0913 795714.9 49
+  120.0808 16165203 999
+  139.0865 862612.8 53
+  142.0862 1220462.4 75
+  146.0964 390348.8 24
+  149.0835 388071.4 23
+  153.0656 371478 22
+  158.0963 3843394.8 237
+  167.0814 1354919 83
+  170.0963 1530092.1 94
+  179.0813 1407318.9 86
+  187.1228 5197645.5 321
+  197.1281 225931 13
+  198.0914 195652.2 12
+  213.1016 241379.9 14
+  215.1177 9776634 604
+  224.1028 499528.8 30
+  228.0014 13593847 840
+  243.1122 1922525.4 118
+  250.1183 816482.6 50
+  298.1547 573326.9 35
+  326.1492 211568.1 13
+  386.0396 1058550.5 65
+//
diff --git a/Eawag/MSBNK-MLU-ED227706.txt b/Eawag/MSBNK-MLU-ED227706.txt
new file mode 100644
index 0000000000..06939b5782
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED227706.txt
@@ -0,0 +1,112 @@
+ACCESSION: MSBNK-MLU-ED227706
+RECORD_TITLE: Molassamide B; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], W. H. Gerwick [dtc], R. Reher [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2277
+CH$NAME: Molassamide B
+CH$NAME: N-[(15E)-2-benzyl-5-[(3-bromo-4-hydroxyphenyl)methyl]-15-ethylidene-21-hydroxy-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]-2-[2-(butanoylamino)propanoylamino]-3-hydroxybutanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C48H65BrN8O13
+CH$EXACT_MASS: 1040.385446
+CH$SMILES: CCCC(=O)NC(C)C(=O)NC(C(C)O)C(=O)NC1C(OC(=O)C(NC(=O)C(N(C(=O)C(N2C(CCC(C2=O)NC(=O)/C(=C\C)/NC1=O)O)CC3=CC=CC=C3)C)CC4=CC(=C(C=C4)O)Br)C(C)C)C
+CH$IUPAC: InChI=1S/C48H65BrN8O13/c1-9-14-36(60)50-25(5)41(62)54-39(26(6)58)44(65)55-40-27(7)70-48(69)38(24(3)4)53-43(64)33(23-29-17-19-35(59)30(49)21-29)56(8)47(68)34(22-28-15-12-11-13-16-28)57-37(61)20-18-32(46(57)67)52-42(63)31(10-2)51-45(40)66/h10-13,15-17,19,21,24-27,32-34,37-40,58-59,61H,9,14,18,20,22-23H2,1-8H3,(H,50,60)(H,51,66)(H,52,63)(H,53,64)(H,54,62)(H,55,65)/b31-10+
+CH$LINK: PUBCHEM CID:154585486
+CH$LINK: INCHIKEY RHDUBBRUOVMSBW-VNTWQREPSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 72-1080
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.890 min
+MS$FOCUSED_ION: BASE_PEAK 1025.3811
+MS$FOCUSED_ION: PRECURSOR_M/Z 1041.3927
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 120271994.81
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00di-1930000000-429e5ffeee09785b0da3
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  72.0809 C4H10N+ 1 72.0808 1.48
+  74.0601 C3H8NO+ 1 74.06 0.65
+  80.0494 C5H6N+ 1 80.0495 -0.98
+  84.0443 C4H6NO+ 1 84.0444 -0.7
+  91.0542 C7H7+ 1 91.0542 -0.5
+  103.0542 C8H7+ 1 103.0542 -0.37
+  110.0601 C6H8NO+ 1 110.06 0.89
+  113.071 C5H9N2O+ 1 113.0709 0.92
+  114.0914 C6H12NO+ 1 114.0913 0.34
+  120.0807 C8H10N+ 1 120.0808 -0.28
+  125.0709 C6H9N2O+ 1 125.0709 -0.41
+  139.0864 C7H11N2O+ 1 139.0866 -1.21
+  142.0862 C7H12NO2+ 1 142.0863 -0.08
+  146.0964 C10H12N+ 1 146.0964 -0.06
+  148.0756 C9H10NO+ 1 148.0757 -0.71
+  149.0709 C8H9N2O+ 1 149.0709 -0.37
+  149.0832 C9H11NO+ 1 149.0835 -2.33
+  151.0864 C8H11N2O+ 1 151.0866 -1.56
+  153.0657 C7H9N2O2+ 1 153.0659 -0.86
+  158.0963 C11H12N+ 1 158.0964 -0.61
+  167.0814 C8H11N2O2+ 1 167.0815 -0.43
+  170.0963 C12H12N+ 1 170.0964 -1.03
+  179.0813 C9H11N2O2+ 1 179.0815 -1.32
+  184.9594 C7H6BrO+ 1 184.9597 -1.47
+  187.1228 C12H15N2+ 1 187.123 -0.78
+  198.0911 BrH25NO5+ 2 198.0911 0.18
+  198.9388 C7H4BrO2+ 1 198.9389 -0.69
+  198.9749 C6HNO7+ 3 198.9748 0.5
+  213.1021 C13H13N2O+ 3 213.1022 -0.6
+  215.1176 BrH28N2O5+ 3 215.1176 0.13
+  224.1026 C10H14N3O3+ 2 224.103 -1.76
+  228.0014 C7H4N2O7+ 3 228.0013 0.4
+  243.1121 CH28BrN2O6+ 5 243.1125 -1.68
+  250.1182 C12H16N3O3+ 2 250.1186 -1.61
+  386.0396 C18H6N6O5+ 9 386.0394 0.36
+PK$NUM_PEAK: 35
+PK$PEAK: m/z int. rel.int.
+  72.0809 203764.9 10
+  74.0601 4278954.5 225
+  80.0494 338241.2 17
+  84.0443 251772.1 13
+  91.0542 2446908.5 128
+  103.0542 422595.1 22
+  110.0601 347617.3 18
+  113.071 198396.1 10
+  114.0914 935517.8 49
+  120.0807 18980736 999
+  125.0709 347269.4 18
+  139.0864 1201234.2 63
+  142.0862 669931.4 35
+  146.0964 388245.8 20
+  148.0756 217656.9 11
+  149.0709 332250.6 17
+  149.0832 1761539.2 92
+  151.0864 293018.7 15
+  153.0657 534930.9 28
+  158.0963 4685159 246
+  167.0814 1052552.2 55
+  170.0963 2579291 135
+  179.0813 1036524.8 54
+  184.9594 621135.9 32
+  187.1228 1953074.6 102
+  198.0911 302926.5 15
+  198.9388 435473.6 22
+  198.9749 238373.3 12
+  213.1021 347522.2 18
+  215.1176 2387798.5 125
+  224.1026 199371.8 10
+  228.0014 10827851 569
+  243.1121 227331.2 11
+  250.1182 219759 11
+  386.0396 359135.1 18
+//
diff --git a/Eawag/MSBNK-MLU-ED227707.txt b/Eawag/MSBNK-MLU-ED227707.txt
new file mode 100644
index 0000000000..9b5788aa70
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED227707.txt
@@ -0,0 +1,128 @@
+ACCESSION: MSBNK-MLU-ED227707
+RECORD_TITLE: Molassamide B; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], W. H. Gerwick [dtc], R. Reher [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2277
+CH$NAME: Molassamide B
+CH$NAME: N-[(15E)-2-benzyl-5-[(3-bromo-4-hydroxyphenyl)methyl]-15-ethylidene-21-hydroxy-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]-2-[2-(butanoylamino)propanoylamino]-3-hydroxybutanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C48H65BrN8O13
+CH$EXACT_MASS: 1040.385446
+CH$SMILES: CCCC(=O)NC(C)C(=O)NC(C(C)O)C(=O)NC1C(OC(=O)C(NC(=O)C(N(C(=O)C(N2C(CCC(C2=O)NC(=O)/C(=C\C)/NC1=O)O)CC3=CC=CC=C3)C)CC4=CC(=C(C=C4)O)Br)C(C)C)C
+CH$IUPAC: InChI=1S/C48H65BrN8O13/c1-9-14-36(60)50-25(5)41(62)54-39(26(6)58)44(65)55-40-27(7)70-48(69)38(24(3)4)53-43(64)33(23-29-17-19-35(59)30(49)21-29)56(8)47(68)34(22-28-15-12-11-13-16-28)57-37(61)20-18-32(46(57)67)52-42(63)31(10-2)51-45(40)66/h10-13,15-17,19,21,24-27,32-34,37-40,58-59,61H,9,14,18,20,22-23H2,1-8H3,(H,50,60)(H,51,66)(H,52,63)(H,53,64)(H,54,62)(H,55,65)/b31-10+
+CH$LINK: PUBCHEM CID:154585486
+CH$LINK: INCHIKEY RHDUBBRUOVMSBW-VNTWQREPSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 72-1080
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.890 min
+MS$FOCUSED_ION: BASE_PEAK 1025.3811
+MS$FOCUSED_ION: PRECURSOR_M/Z 1041.3927
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 120271994.81
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00di-1910000000-a36ca6c1a906b754f404
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  72.0809 C4H10N+ 1 72.0808 2.11
+  80.0494 C5H6N+ 1 80.0495 -0.88
+  82.065 C5H8N+ 1 82.0651 -1.31
+  84.0444 C4H6NO+ 1 84.0444 -0.07
+  91.0542 C7H7+ 1 91.0542 -0.33
+  93.0699 C7H9+ 1 93.0699 -0.26
+  94.0651 C6H8N+ 1 94.0651 -0.4
+  95.0604 C5H7N2+ 1 95.0604 0.25
+  96.0442 C5H6NO+ 1 96.0444 -1.94
+  96.0681 C5H8N2+ 1 96.0682 -1.12
+  96.0807 C6H10N+ 1 96.0808 -0.6
+  103.0542 C8H7+ 1 103.0542 -0.66
+  105.07 C8H9+ 1 105.0699 1.11
+  107.0491 C7H7O+ 1 107.0491 0.03
+  108.0571 C7H8O+ 1 108.057 0.78
+  110.06 C6H8NO+ 1 110.06 -0.15
+  111.0915 C6H11N2+ 1 111.0917 -1.18
+  112.0393 C5H6NO2+ 1 112.0393 0.1
+  113.0708 C5H9N2O+ 1 113.0709 -1.64
+  120.0808 C8H10N+ 1 120.0808 -0.09
+  125.0709 C6H9N2O+ 1 125.0709 -0.6
+  132.0807 C9H10N+ 1 132.0808 -0.24
+  138.0912 C8H12NO+ 1 138.0913 -1.35
+  139.0864 C7H11N2O+ 1 139.0866 -1.21
+  146.0963 C10H12N+ 1 146.0964 -0.69
+  148.0753 C9H10NO+ 1 148.0757 -2.56
+  149.0711 C8H9N2O+ 1 149.0709 1.17
+  149.0834 C9H11NO+ 1 149.0835 -1
+  151.0863 C8H11N2O+ 1 151.0866 -1.66
+  153.0661 C7H9N2O2+ 1 153.0659 1.34
+  158.0963 C11H12N+ 1 158.0964 -0.61
+  167.0816 C8H11N2O2+ 1 167.0815 0.85
+  168.0808 C12H10N+ 1 168.0808 -0.08
+  170.0963 C12H12N+ 1 170.0964 -0.85
+  179.0815 C9H11N2O2+ 1 179.0815 0.04
+  184.9595 C7H6BrO+ 1 184.9597 -0.65
+  187.1228 C12H15N2+ 1 187.123 -0.7
+  198.0914 C13H12NO+ 2 198.0913 0.16
+  198.9386 C7H4BrO2+ 1 198.9389 -1.61
+  198.975 C6HNO7+ 2 198.9748 1.19
+  213.1024 C13H13N2O+ 4 213.1022 0.62
+  215.1176 BrH28N2O5+ 3 215.1176 0.06
+  228.0014 C7H4N2O7+ 3 228.0013 0.46
+PK$NUM_PEAK: 43
+PK$PEAK: m/z int. rel.int.
+  72.0809 246429.2 16
+  80.0494 448048.8 29
+  82.065 152060.7 10
+  84.0444 445890.6 29
+  91.0542 4911754 324
+  93.0699 174024.4 11
+  94.0651 165422.1 10
+  95.0604 355632 23
+  96.0442 201199.5 13
+  96.0681 275973.1 18
+  96.0807 194101 12
+  103.0542 795928.8 52
+  105.07 162224.4 10
+  107.0491 231452.2 15
+  108.0571 212301.8 14
+  110.06 453425 29
+  111.0915 237267 15
+  112.0393 164971.9 10
+  113.0708 200141.5 13
+  120.0808 15143108 999
+  125.0709 570298.9 37
+  132.0807 151997.2 10
+  138.0912 188722.7 12
+  139.0864 1145092.1 75
+  146.0963 254726.8 16
+  148.0753 444395.5 29
+  149.0711 299935.3 19
+  149.0834 3709262.5 244
+  151.0863 263746.5 17
+  153.0661 316526.1 20
+  158.0963 3224317.8 212
+  167.0816 565593.9 37
+  168.0808 225134.9 14
+  170.0963 2501425.8 165
+  179.0815 457242.8 30
+  184.9595 949119.4 62
+  187.1228 542910.1 35
+  198.0914 308772.9 20
+  198.9386 539144.2 35
+  198.975 273888 18
+  213.1024 268592.8 17
+  215.1176 368496.8 24
+  228.0014 6224044 410
+//
diff --git a/Eawag/MSBNK-MLU-ED227751.txt b/Eawag/MSBNK-MLU-ED227751.txt
new file mode 100644
index 0000000000..7f639719d2
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED227751.txt
@@ -0,0 +1,48 @@
+ACCESSION: MSBNK-MLU-ED227751
+RECORD_TITLE: Molassamide B; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], W. H. Gerwick [dtc], R. Reher [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2277
+CH$NAME: Molassamide B
+CH$NAME: N-[(15E)-2-benzyl-5-[(3-bromo-4-hydroxyphenyl)methyl]-15-ethylidene-21-hydroxy-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]-2-[2-(butanoylamino)propanoylamino]-3-hydroxybutanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C48H65BrN8O13
+CH$EXACT_MASS: 1040.385446
+CH$SMILES: CCCC(=O)NC(C)C(=O)NC(C(C)O)C(=O)NC1C(OC(=O)C(NC(=O)C(N(C(=O)C(N2C(CCC(C2=O)NC(=O)/C(=C\C)/NC1=O)O)CC3=CC=CC=C3)C)CC4=CC(=C(C=C4)O)Br)C(C)C)C
+CH$IUPAC: InChI=1S/C48H65BrN8O13/c1-9-14-36(60)50-25(5)41(62)54-39(26(6)58)44(65)55-40-27(7)70-48(69)38(24(3)4)53-43(64)33(23-29-17-19-35(59)30(49)21-29)56(8)47(68)34(22-28-15-12-11-13-16-28)57-37(61)20-18-32(46(57)67)52-42(63)31(10-2)51-45(40)66/h10-13,15-17,19,21,24-27,32-34,37-40,58-59,61H,9,14,18,20,22-23H2,1-8H3,(H,50,60)(H,51,66)(H,52,63)(H,53,64)(H,54,62)(H,55,65)/b31-10+
+CH$LINK: PUBCHEM CID:154585486
+CH$LINK: INCHIKEY RHDUBBRUOVMSBW-VNTWQREPSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 72-1080
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.869 min
+MS$FOCUSED_ION: BASE_PEAK 1041.3767
+MS$FOCUSED_ION: PRECURSOR_M/Z 1039.3782
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 563791366.91
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-000j-9000001005-644697158f0e76eb644a
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  628.3095 C44H40N2O2- 18 628.3095 -0.12
+  995.352 C46H60BrN8O12- 2 995.352 0.02
+  1039.3782 C48H64BrN8O13- 1 1039.3782 0.01
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  628.3095 17384670 121
+  995.352 90180520 630
+  1039.3782 142805968 999
+//
diff --git a/Eawag/MSBNK-MLU-ED227752.txt b/Eawag/MSBNK-MLU-ED227752.txt
new file mode 100644
index 0000000000..4eeaabbd8f
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED227752.txt
@@ -0,0 +1,62 @@
+ACCESSION: MSBNK-MLU-ED227752
+RECORD_TITLE: Molassamide B; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], W. H. Gerwick [dtc], R. Reher [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2277
+CH$NAME: Molassamide B
+CH$NAME: N-[(15E)-2-benzyl-5-[(3-bromo-4-hydroxyphenyl)methyl]-15-ethylidene-21-hydroxy-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]-2-[2-(butanoylamino)propanoylamino]-3-hydroxybutanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C48H65BrN8O13
+CH$EXACT_MASS: 1040.385446
+CH$SMILES: CCCC(=O)NC(C)C(=O)NC(C(C)O)C(=O)NC1C(OC(=O)C(NC(=O)C(N(C(=O)C(N2C(CCC(C2=O)NC(=O)/C(=C\C)/NC1=O)O)CC3=CC=CC=C3)C)CC4=CC(=C(C=C4)O)Br)C(C)C)C
+CH$IUPAC: InChI=1S/C48H65BrN8O13/c1-9-14-36(60)50-25(5)41(62)54-39(26(6)58)44(65)55-40-27(7)70-48(69)38(24(3)4)53-43(64)33(23-29-17-19-35(59)30(49)21-29)56(8)47(68)34(22-28-15-12-11-13-16-28)57-37(61)20-18-32(46(57)67)52-42(63)31(10-2)51-45(40)66/h10-13,15-17,19,21,24-27,32-34,37-40,58-59,61H,9,14,18,20,22-23H2,1-8H3,(H,50,60)(H,51,66)(H,52,63)(H,53,64)(H,54,62)(H,55,65)/b31-10+
+CH$LINK: PUBCHEM CID:154585486
+CH$LINK: INCHIKEY RHDUBBRUOVMSBW-VNTWQREPSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 72-1080
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.869 min
+MS$FOCUSED_ION: BASE_PEAK 1041.3767
+MS$FOCUSED_ION: PRECURSOR_M/Z 1039.3782
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 563791366.91
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0002-3000003009-6793f7599d88ad3ed83a
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  195.076 C7H9N5O2- 2 195.0762 -1.08
+  383.1713 C19H27O8- 10 383.1711 0.43
+  628.3095 C44H40N2O2- 18 628.3095 -0.02
+  657.1567 C30H34BrN4O8- 17 657.1565 0.21
+  714.2143 C35H43BrN2O9- 15 714.2157 -2.07
+  797.2528 C39H48BrN3O10- 10 797.2529 -0.13
+  977.3419 C46H58BrN8O11- 2 977.3414 0.5
+  995.3522 C46H60BrN8O12- 2 995.352 0.2
+  996.3558 C46H61BrN8O12- 1 996.3598 -4.03
+  1039.3784 C48H64BrN8O13- 1 1039.3782 0.24
+PK$NUM_PEAK: 10
+PK$PEAK: m/z int. rel.int.
+  195.076 1474214.1 11
+  383.1713 1363482.4 10
+  628.3095 41873368 332
+  657.1567 4034681 32
+  714.2143 7669572.5 60
+  797.2528 3977844 31
+  977.3419 2113452 16
+  995.3522 125775632 999
+  996.3558 9279395 73
+  1039.3784 51974860 412
+//
diff --git a/Eawag/MSBNK-MLU-ED227753.txt b/Eawag/MSBNK-MLU-ED227753.txt
new file mode 100644
index 0000000000..243bec784b
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED227753.txt
@@ -0,0 +1,104 @@
+ACCESSION: MSBNK-MLU-ED227753
+RECORD_TITLE: Molassamide B; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], W. H. Gerwick [dtc], R. Reher [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2277
+CH$NAME: Molassamide B
+CH$NAME: N-[(15E)-2-benzyl-5-[(3-bromo-4-hydroxyphenyl)methyl]-15-ethylidene-21-hydroxy-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]-2-[2-(butanoylamino)propanoylamino]-3-hydroxybutanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C48H65BrN8O13
+CH$EXACT_MASS: 1040.385446
+CH$SMILES: CCCC(=O)NC(C)C(=O)NC(C(C)O)C(=O)NC1C(OC(=O)C(NC(=O)C(N(C(=O)C(N2C(CCC(C2=O)NC(=O)/C(=C\C)/NC1=O)O)CC3=CC=CC=C3)C)CC4=CC(=C(C=C4)O)Br)C(C)C)C
+CH$IUPAC: InChI=1S/C48H65BrN8O13/c1-9-14-36(60)50-25(5)41(62)54-39(26(6)58)44(65)55-40-27(7)70-48(69)38(24(3)4)53-43(64)33(23-29-17-19-35(59)30(49)21-29)56(8)47(68)34(22-28-15-12-11-13-16-28)57-37(61)20-18-32(46(57)67)52-42(63)31(10-2)51-45(40)66/h10-13,15-17,19,21,24-27,32-34,37-40,58-59,61H,9,14,18,20,22-23H2,1-8H3,(H,50,60)(H,51,66)(H,52,63)(H,53,64)(H,54,62)(H,55,65)/b31-10+
+CH$LINK: PUBCHEM CID:154585486
+CH$LINK: INCHIKEY RHDUBBRUOVMSBW-VNTWQREPSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 72-1080
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.869 min
+MS$FOCUSED_ION: BASE_PEAK 1041.3767
+MS$FOCUSED_ION: PRECURSOR_M/Z 1039.3782
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 563791366.91
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0002-0212000409-d9a829830adde55cc7e2
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  139.0501 C4H5N5O- 1 139.05 0.87
+  142.0499 C4H6N4O2- 1 142.0496 1.62
+  152.0703 C6H8N4O- 1 152.0704 -0.13
+  157.0966 C5H11N5O- 1 157.0969 -1.97
+  165.0654 C6H7N5O- 1 165.0656 -1.45
+  195.076 C7H9N5O2- 2 195.0762 -0.69
+  196.108 C7H12N6O- 1 196.1078 0.78
+  197.0914 C8H22Br- 4 197.091 1.79
+  214.1181 C7H14N6O2- 2 214.1184 -1.24
+  215.1018 C8H24BrO- 4 215.1016 0.96
+  217.0969 C10H11N5O- 1 217.0969 -0.15
+  234.1238 C10H14N6O- 2 234.1235 1.63
+  260.1027 C11H12N6O2- 3 260.1027 -0.11
+  261.0872 C11H11N5O3- 4 261.0867 1.58
+  279.1446 C11H17N7O2- 5 279.1449 -1.18
+  316.1291 C14H16N6O3- 6 316.1289 0.5
+  340.0175 C12H13BrN4O3- 7 340.0177 -0.32
+  360.1558 C5H35BrN3O9- 8 360.1562 -1.21
+  371.0603 C13H13N3O10- 11 371.0606 -1.01
+  383.1716 C19H27O8- 9 383.1711 1.22
+  394.1876 C20H28NO7- 11 394.1871 1.15
+  399.1672 C7H36BrN4O9- 11 399.1671 0.13
+  401.1814 C5H36BrN7O8- 10 401.1814 -0.15
+  432.2261 C9H34N7O12- 11 432.2271 -2.41
+  501.102 C22H19N3O11- 13 501.1025 -1.04
+  714.2146 C35H43BrN2O9- 16 714.2157 -1.64
+  742.21 C47H28N5O5- 15 742.2096 0.55
+  780.2252 C37H43BrN5O9- 12 780.225 0.25
+  995.3523 C46H60BrN8O12- 2 995.352 0.39
+  996.3548 C46H61BrN8O12- 1 996.3598 -4.95
+  1039.3795 C48H64BrN8O13- 1 1039.3782 1.3
+PK$NUM_PEAK: 31
+PK$PEAK: m/z int. rel.int.
+  139.0501 2086885.9 43
+  142.0499 1343265.1 28
+  152.0703 1162973.6 24
+  157.0966 1386689.8 29
+  165.0654 545388.6 11
+  195.076 5122325.5 107
+  196.108 737063.3 15
+  197.0914 918388.9 19
+  214.1181 3151549.2 66
+  215.1018 742217.6 15
+  217.0969 593085.4 12
+  234.1238 557717.6 11
+  260.1027 766710.6 16
+  261.0872 1078717.6 22
+  279.1446 524658.6 11
+  316.1291 516454.9 10
+  340.0175 943454.4 19
+  360.1558 828934 17
+  371.0603 3530778 74
+  383.1716 3812018.8 80
+  394.1876 2168070.5 45
+  399.1672 628916.3 13
+  401.1814 1968508.9 41
+  432.2261 746722.4 15
+  501.102 935939.3 19
+  714.2146 18144136 382
+  742.21 1680167.6 35
+  780.2252 3088476.8 65
+  995.3523 47420712 999
+  996.3548 3396563 71
+  1039.3795 2763763 58
+//
diff --git a/Eawag/MSBNK-MLU-ED227754.txt b/Eawag/MSBNK-MLU-ED227754.txt
new file mode 100644
index 0000000000..7a468863d4
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED227754.txt
@@ -0,0 +1,184 @@
+ACCESSION: MSBNK-MLU-ED227754
+RECORD_TITLE: Molassamide B; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], W. H. Gerwick [dtc], R. Reher [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2277
+CH$NAME: Molassamide B
+CH$NAME: N-[(15E)-2-benzyl-5-[(3-bromo-4-hydroxyphenyl)methyl]-15-ethylidene-21-hydroxy-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]-2-[2-(butanoylamino)propanoylamino]-3-hydroxybutanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C48H65BrN8O13
+CH$EXACT_MASS: 1040.385446
+CH$SMILES: CCCC(=O)NC(C)C(=O)NC(C(C)O)C(=O)NC1C(OC(=O)C(NC(=O)C(N(C(=O)C(N2C(CCC(C2=O)NC(=O)/C(=C\C)/NC1=O)O)CC3=CC=CC=C3)C)CC4=CC(=C(C=C4)O)Br)C(C)C)C
+CH$IUPAC: InChI=1S/C48H65BrN8O13/c1-9-14-36(60)50-25(5)41(62)54-39(26(6)58)44(65)55-40-27(7)70-48(69)38(24(3)4)53-43(64)33(23-29-17-19-35(59)30(49)21-29)56(8)47(68)34(22-28-15-12-11-13-16-28)57-37(61)20-18-32(46(57)67)52-42(63)31(10-2)51-45(40)66/h10-13,15-17,19,21,24-27,32-34,37-40,58-59,61H,9,14,18,20,22-23H2,1-8H3,(H,50,60)(H,51,66)(H,52,63)(H,53,64)(H,54,62)(H,55,65)/b31-10+
+CH$LINK: PUBCHEM CID:154585486
+CH$LINK: INCHIKEY RHDUBBRUOVMSBW-VNTWQREPSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 72-1080
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.869 min
+MS$FOCUSED_ION: BASE_PEAK 1041.3767
+MS$FOCUSED_ION: PRECURSOR_M/Z 1039.3782
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 563791366.91
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03di-0945101300-6af706951a5be7cc413e
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  74.0236 H2N4O- 1 74.0234 2.09
+  84.0078 CN4O- 1 84.0078 0.94
+  86.0596 C2H6N4- 1 86.0598 -2.47
+  87.055 CH5N5- 1 87.055 -0.31
+  99.0187 CHN5O- 1 99.0187 0.25
+  100.0391 C2H4N4O- 1 100.0391 0.87
+  111.0551 C3H5N5- 1 111.055 0.06
+  113.0343 C2H3N5O- 1 113.0343 0.19
+  116.0702 C3H8N4O- 1 116.0704 -0.95
+  123.0553 C4H5N5- 1 123.055 1.68
+  125.0347 C3H3N5O- 1 125.0343 2.8
+  125.0709 C4H7N5- 1 125.0707 1.75
+  126.0661 C3H6N6- 1 126.0659 1.11
+  127.0501 C3H5N5O- 1 127.05 1.08
+  139.05 C4H5N5O- 1 139.05 0.54
+  139.0863 C5H9N5- 1 139.0863 -0.07
+  142.0498 C4H6N4O2- 1 142.0496 0.97
+  144.0766 C3H8N6O- 1 144.0765 0.73
+  151.0865 C6H9N5- 1 151.0863 0.9
+  152.0705 C6H8N4O- 1 152.0704 0.87
+  153.1021 C6H11N5- 1 153.102 0.46
+  156.0767 C4H8N6O- 1 156.0765 1.22
+  157.0969 C5H11N5O- 1 157.0969 0.07
+  165.0658 C6H7N5O- 1 165.0656 0.86
+  166.0611 C5H6N6O- 1 166.0609 1.37
+  166.0972 C6H10N6- 1 166.0972 -0.06
+  173.0704 C8H7N5- 1 173.0707 -1.58
+  174.1044 C10H12N3- 2 174.1037 4.21
+  178.0614 C6H6N6O- 2 178.0609 2.89
+  178.0975 C7H10N6- 1 178.0972 1.55
+  179.0811 C7H9N5O- 1 179.0813 -0.7
+  186.0549 C9H6N4O- 1 186.0547 0.94
+  187.1079 C6H13N5O2- 1 187.1075 2.09
+  190.0976 C8H10N6- 1 190.0972 2.02
+  191.0809 C8H9N5O- 1 191.0813 -1.69
+  194.0916 C7H10N6O- 2 194.0922 -2.78
+  195.076 C7H9N5O2- 2 195.0762 -1
+  196.1076 C7H12N6O- 1 196.1078 -1.09
+  196.9591 C6H4BrN3- 1 196.9594 -1.65
+  203.0808 C9H9N5O- 3 203.0813 -2.12
+  204.0759 C8H8N6O- 2 204.0765 -2.98
+  212.103 C7H12N6O2- 1 212.1027 1.33
+  214.1182 C7H14N6O2- 2 214.1184 -0.67
+  215.102 C8H24BrO- 4 215.1016 2.03
+  217.0962 C10H11N5O- 3 217.0969 -3.24
+  222.087 C8H10N6O2- 2 222.0871 -0.15
+  224.9546 C7H4BrN3O- 2 224.9543 1.14
+  234.1227 C10H14N6O- 2 234.1235 -3.12
+  236.1393 C10H16N6O- 2 236.1391 0.72
+  242.0803 C12H10N4O2- 3 242.0809 -2.73
+  256.1083 C12H12N6O- 3 256.1078 1.87
+  260.1028 C11H12N6O2- 4 260.1027 0.24
+  261.0866 C11H11N5O3- 5 261.0867 -0.64
+  274.1185 C12H14N6O2- 4 274.1184 0.5
+  279.1446 C11H17N7O2- 5 279.1449 -1.18
+  296.0276 C11H13BrN4O- 6 296.0278 -0.82
+  316.1294 C14H16N6O3- 6 316.1289 1.37
+  317.161 CH27N5O13- 8 317.1611 -0.28
+  337.1513 C2H34BrN4O9- 9 337.1515 -0.51
+  340.0178 C12H13BrN4O3- 9 340.0177 0.58
+  360.1563 C5H35BrN3O9- 9 360.1562 0.14
+  371.0603 C13H13N3O10- 11 371.0606 -0.93
+  383.1717 C7H36BrN4O8- 10 383.1722 -1.22
+  394.1876 C20H28NO7- 11 394.1871 1.23
+  401.0498 C4H24BrN3O13- 12 401.0498 0.08
+  401.1812 C5H36BrN7O8- 10 401.1814 -0.53
+  501.1022 C22H19N3O11- 13 501.1025 -0.68
+  657.1563 C30H34BrN4O8- 18 657.1565 -0.44
+  714.2147 C35H43BrN2O9- 16 714.2157 -1.47
+  780.2253 C37H43BrN5O9- 12 780.225 0.41
+  977.3386 C46H58BrN8O11- 2 977.3414 -2.81
+PK$NUM_PEAK: 71
+PK$PEAK: m/z int. rel.int.
+  74.0236 244747.8 12
+  84.0078 426997.1 22
+  86.0596 824360.9 42
+  87.055 356258.4 18
+  99.0187 1505508.2 78
+  100.0391 348563.8 18
+  111.0551 706517.9 36
+  113.0343 436983.3 22
+  116.0702 1512762.9 78
+  123.0553 223318.9 11
+  125.0347 766436.2 39
+  125.0709 227263.1 11
+  126.0661 651768.6 33
+  127.0501 966426 50
+  139.05 7644150.5 398
+  139.0863 1189814.2 61
+  142.0498 5350169.5 278
+  144.0766 2194844.5 114
+  151.0865 675723.7 35
+  152.0705 1857189.1 96
+  153.1021 307002.2 15
+  156.0767 1461512.9 76
+  157.0969 4836479.5 251
+  165.0658 1349519.8 70
+  166.0611 279613.6 14
+  166.0972 312147.3 16
+  173.0704 691525.4 36
+  174.1044 258419 13
+  178.0614 484464.9 25
+  178.0975 753166.2 39
+  179.0811 526971.7 27
+  186.0549 667518.2 34
+  187.1079 370631.2 19
+  190.0976 758733 39
+  191.0809 644229.6 33
+  194.0916 423476 22
+  195.076 8788631 457
+  196.1076 2573045.5 134
+  196.9591 2655903.2 138
+  203.0808 1355574.8 70
+  204.0759 481593.9 25
+  212.103 860682.9 44
+  214.1182 8056489.5 419
+  215.102 1561023.4 81
+  217.0962 1691981.8 88
+  222.087 660092.7 34
+  224.9546 599610.8 31
+  234.1227 1385297.2 72
+  236.1393 590973.9 30
+  242.0803 1018774.1 53
+  256.1083 298196.8 15
+  260.1028 2780169.5 144
+  261.0866 2129695.8 110
+  274.1185 485950.6 25
+  279.1446 1295687 67
+  296.0276 2004259.5 104
+  316.1294 606338.6 31
+  317.161 2649737.5 138
+  337.1513 935843.3 48
+  340.0178 4220634 219
+  360.1563 1881538.2 97
+  371.0603 11986943 624
+  383.1717 5094129.5 265
+  394.1876 5553848.5 289
+  401.0498 8062188 419
+  401.1812 3566500.5 185
+  501.1022 1890058.9 98
+  657.1563 8796675 458
+  714.2147 19181302 999
+  780.2253 1582222.5 82
+  977.3386 637435.4 33
+//
diff --git a/Eawag/MSBNK-MLU-ED227755.txt b/Eawag/MSBNK-MLU-ED227755.txt
new file mode 100644
index 0000000000..e5a03adc04
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED227755.txt
@@ -0,0 +1,214 @@
+ACCESSION: MSBNK-MLU-ED227755
+RECORD_TITLE: Molassamide B; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], W. H. Gerwick [dtc], R. Reher [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2277
+CH$NAME: Molassamide B
+CH$NAME: N-[(15E)-2-benzyl-5-[(3-bromo-4-hydroxyphenyl)methyl]-15-ethylidene-21-hydroxy-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]-2-[2-(butanoylamino)propanoylamino]-3-hydroxybutanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C48H65BrN8O13
+CH$EXACT_MASS: 1040.385446
+CH$SMILES: CCCC(=O)NC(C)C(=O)NC(C(C)O)C(=O)NC1C(OC(=O)C(NC(=O)C(N(C(=O)C(N2C(CCC(C2=O)NC(=O)/C(=C\C)/NC1=O)O)CC3=CC=CC=C3)C)CC4=CC(=C(C=C4)O)Br)C(C)C)C
+CH$IUPAC: InChI=1S/C48H65BrN8O13/c1-9-14-36(60)50-25(5)41(62)54-39(26(6)58)44(65)55-40-27(7)70-48(69)38(24(3)4)53-43(64)33(23-29-17-19-35(59)30(49)21-29)56(8)47(68)34(22-28-15-12-11-13-16-28)57-37(61)20-18-32(46(57)67)52-42(63)31(10-2)51-45(40)66/h10-13,15-17,19,21,24-27,32-34,37-40,58-59,61H,9,14,18,20,22-23H2,1-8H3,(H,50,60)(H,51,66)(H,52,63)(H,53,64)(H,54,62)(H,55,65)/b31-10+
+CH$LINK: PUBCHEM CID:154585486
+CH$LINK: INCHIKEY RHDUBBRUOVMSBW-VNTWQREPSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 72-1080
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.869 min
+MS$FOCUSED_ION: BASE_PEAK 1041.3767
+MS$FOCUSED_ION: PRECURSOR_M/Z 1039.3782
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 563791366.91
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-052n-1920000000-cb90652cbaad8df5fb1c
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  73.0394 H3N5- 1 73.0394 -0.59
+  74.0233 H2N4O- 1 74.0234 -1
+  86.0597 C2H6N4- 1 86.0598 -0.7
+  87.055 CH5N5- 1 87.055 -0.23
+  95.0236 C2HN5- 1 95.0237 -1
+  99.0187 CHN5O- 1 99.0187 0.17
+  99.0437 C3H5N3O- 1 99.0438 -0.96
+  99.0548 C2H5N5- 1 99.055 -2.23
+  100.0391 C2H4N4O- 1 100.0391 0.72
+  101.0341 CH3N5O- 1 101.0343 -1.7
+  101.0707 C2H7N5- 1 101.0707 -0.43
+  108.044 C4H4N4- 1 108.0441 -1.72
+  109.0392 C3H3N5- 1 109.0394 -1.44
+  110.0233 C3H2N4O- 1 110.0234 -0.55
+  111.0185 C2HN5O- 1 111.0187 -1.58
+  111.0551 C3H5N5- 1 111.055 0.4
+  112.0267 C2H2N5O- 1 112.0265 1.82
+  113.0345 C2H3N5O- 1 113.0343 1.47
+  113.0706 C3H7N5- 1 113.0707 -1.04
+  116.0704 C3H8N4O- 1 116.0704 0.16
+  121.0393 C4H3N5- 1 121.0394 -0.71
+  125.0343 C3H3N5O- 1 125.0343 -0.19
+  125.0707 C4H7N5- 1 125.0707 -0.02
+  126.0658 C3H6N6- 1 126.0659 -1.25
+  127.0499 C3H5N5O- 1 127.05 -0.12
+  130.0607 C2H6N6O- 1 130.0609 -0.9
+  134.036 C6H4N3O- 1 134.036 -0.19
+  137.0704 C5H7N5- 1 137.0707 -1.98
+  139.05 C4H5N5O- 1 139.05 0.65
+  139.0863 C5H9N5- 1 139.0863 -0.4
+  140.0703 C5H8N4O- 1 140.0704 -0.07
+  141.0657 C4H7N5O- 1 141.0656 0.44
+  142.0497 C4H6N4O2- 1 142.0496 0.65
+  144.0766 C3H8N6O- 1 144.0765 0.31
+  151.05 C5H5N5O- 1 151.05 0.15
+  152.0813 C5H8N6- 1 152.0816 -1.86
+  153.1017 C6H11N5- 1 153.102 -1.73
+  156.0765 C4H8N6O- 1 156.0765 0.15
+  157.0969 C5H11N5O- 1 157.0969 -0.03
+  160.0754 C8H8N4- 1 160.0754 -0.27
+  161.0703 C7H7N5- 1 161.0707 -2.2
+  165.0651 C6H7N5O- 1 165.0656 -2.84
+  166.0608 C5H6N6O- 1 166.0609 -0.46
+  166.0973 C6H10N6- 1 166.0972 0.31
+  167.0814 C6H9N5O- 1 167.0813 0.84
+  169.0968 C6H11N5O- 1 169.0969 -0.71
+  170.0916 C5H10N6O- 2 170.0922 -3.07
+  170.9436 C4H2BrN3- 1 170.9438 -1.11
+  172.0756 C9H8N4- 1 172.0754 1.02
+  173.0703 C8H7N5- 1 173.0707 -2.2
+  174.0906 C9H10N4- 2 174.0911 -3.04
+  174.1039 C10H12N3- 1 174.1037 1.15
+  178.0971 C7H10N6- 1 178.0972 -0.76
+  183.9516 C5H3BrN3- 1 183.9516 -0.01
+  184.0712 C5H8N6O2- 2 184.0714 -1.16
+  186.0546 C9H6N4O- 1 186.0547 -0.7
+  187.1078 C6H13N5O2- 1 187.1075 1.68
+  191.0811 C8H9N5O- 1 191.0813 -0.81
+  192.0772 C7H8N6O- 2 192.0765 3.59
+  194.092 C7H10N6O- 1 194.0922 -1.05
+  196.1077 C7H12N6O- 1 196.1078 -0.78
+  196.9593 C6H4BrN3- 1 196.9594 -0.49
+  197.0914 C8H22Br- 4 197.091 1.94
+  203.081 C9H9N5O- 1 203.0813 -1.07
+  204.0768 C8H8N6O- 1 204.0765 1.28
+  205.0596 C9H18Br- 4 205.0597 -0.66
+  206.0922 C8H10N6O- 1 206.0922 0.1
+  212.1027 C7H12N6O2- 2 212.1027 -0.11
+  214.1181 C7H14N6O2- 2 214.1184 -1.1
+  217.0964 C10H11N5O- 3 217.0969 -2.47
+  222.0872 C8H10N6O2- 2 222.0871 0.61
+  224.9537 C7H4BrN3O- 2 224.9543 -2.66
+  225.9851 C5N5O6- 4 225.9854 -1.5
+  234.1227 C10H14N6O- 2 234.1235 -3.39
+  239.9655 C7H5BrN4O- 3 239.9652 1.31
+  242.0807 C12H10N4O2- 3 242.0809 -0.78
+  246.123 C11H14N6O- 2 246.1235 -1.81
+  260.1026 C11H12N6O2- 4 260.1027 -0.46
+  261.0868 C11H11N5O3- 4 261.0867 0.41
+  274.1183 C12H14N6O2- 4 274.1184 -0.39
+  279.1448 C11H17N7O2- 5 279.1449 -0.52
+  296.0276 C11H13BrN4O- 6 296.0278 -0.62
+  360.1561 C5H35BrN3O9- 10 360.1562 -0.37
+  371.0603 C13H13N3O10- 11 371.0606 -0.93
+  399.1666 C7H36BrN4O9- 10 399.1671 -1.24
+  401.0496 C4H24BrN3O13- 12 401.0498 -0.46
+PK$NUM_PEAK: 86
+PK$PEAK: m/z int. rel.int.
+  73.0394 2712680 277
+  74.0233 305983 31
+  86.0597 1198531.8 122
+  87.055 1045009.9 106
+  95.0236 546790.6 55
+  99.0187 5109236.5 522
+  99.0437 334122.1 34
+  99.0548 1352520.9 138
+  100.0391 346324.5 35
+  101.0341 450949.6 46
+  101.0707 319941.2 32
+  108.044 242964.8 24
+  109.0392 610306.6 62
+  110.0233 1748806.6 179
+  111.0185 711422.4 72
+  111.0551 1456255.9 149
+  112.0267 816428.7 83
+  113.0345 1130763.6 115
+  113.0706 546040.6 55
+  116.0704 4155825.2 425
+  121.0393 356540.5 36
+  125.0343 2296234.8 235
+  125.0707 819547.4 83
+  126.0658 1464236.9 149
+  127.0499 1955629.9 200
+  130.0607 647420.4 66
+  134.036 233502.5 23
+  137.0704 430550.1 44
+  139.05 9759437 999
+  139.0863 1029877.5 105
+  140.0703 526223.8 53
+  141.0657 552472 56
+  142.0497 5024156 514
+  144.0766 4265736.5 436
+  151.05 352721.6 36
+  152.0813 256060.4 26
+  153.1017 455957.6 46
+  156.0765 4864137.5 497
+  157.0969 3707290.5 379
+  160.0754 5138729 526
+  161.0703 470408.8 48
+  165.0651 1019904.2 104
+  166.0608 481685.9 49
+  166.0973 226823.6 23
+  167.0814 329183.8 33
+  169.0968 455556.2 46
+  170.0916 665550.4 68
+  170.9436 1065159.5 109
+  172.0756 534519.1 54
+  173.0703 415510.1 42
+  174.0906 442421.6 45
+  174.1039 547559.8 56
+  178.0971 470621.1 48
+  183.9516 723606.2 74
+  184.0712 648168.4 66
+  186.0546 1201531.4 122
+  187.1078 1108124 113
+  191.0811 589527.9 60
+  192.0772 256636.1 26
+  194.092 622231.6 63
+  196.1077 3257104.8 333
+  196.9593 5625714 575
+  197.0914 340690.5 34
+  203.081 3073491 314
+  204.0768 533674.9 54
+  205.0596 304377.2 31
+  206.0922 299609.8 30
+  212.1027 850170.4 87
+  214.1181 3378327.8 345
+  217.0964 3119242.5 319
+  222.0872 379154 38
+  224.9537 1084075.6 110
+  225.9851 494958.5 50
+  234.1227 985960.4 100
+  239.9655 1750812.4 179
+  242.0807 269604.7 27
+  246.123 419523.6 42
+  260.1026 1743088.8 178
+  261.0868 357371.2 36
+  274.1183 243876 24
+  279.1448 473194.2 48
+  296.0276 2644392.5 270
+  360.1561 261648.3 26
+  371.0603 4765384 487
+  399.1666 474588.2 48
+  401.0496 3547304.8 363
+//
diff --git a/Eawag/MSBNK-MLU-ED227756.txt b/Eawag/MSBNK-MLU-ED227756.txt
new file mode 100644
index 0000000000..41c658fbf3
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED227756.txt
@@ -0,0 +1,158 @@
+ACCESSION: MSBNK-MLU-ED227756
+RECORD_TITLE: Molassamide B; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], W. H. Gerwick [dtc], R. Reher [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2277
+CH$NAME: Molassamide B
+CH$NAME: N-[(15E)-2-benzyl-5-[(3-bromo-4-hydroxyphenyl)methyl]-15-ethylidene-21-hydroxy-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]-2-[2-(butanoylamino)propanoylamino]-3-hydroxybutanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C48H65BrN8O13
+CH$EXACT_MASS: 1040.385446
+CH$SMILES: CCCC(=O)NC(C)C(=O)NC(C(C)O)C(=O)NC1C(OC(=O)C(NC(=O)C(N(C(=O)C(N2C(CCC(C2=O)NC(=O)/C(=C\C)/NC1=O)O)CC3=CC=CC=C3)C)CC4=CC(=C(C=C4)O)Br)C(C)C)C
+CH$IUPAC: InChI=1S/C48H65BrN8O13/c1-9-14-36(60)50-25(5)41(62)54-39(26(6)58)44(65)55-40-27(7)70-48(69)38(24(3)4)53-43(64)33(23-29-17-19-35(59)30(49)21-29)56(8)47(68)34(22-28-15-12-11-13-16-28)57-37(61)20-18-32(46(57)67)52-42(63)31(10-2)51-45(40)66/h10-13,15-17,19,21,24-27,32-34,37-40,58-59,61H,9,14,18,20,22-23H2,1-8H3,(H,50,60)(H,51,66)(H,52,63)(H,53,64)(H,54,62)(H,55,65)/b31-10+
+CH$LINK: PUBCHEM CID:154585486
+CH$LINK: INCHIKEY RHDUBBRUOVMSBW-VNTWQREPSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 72-1080
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.869 min
+MS$FOCUSED_ION: BASE_PEAK 1041.3767
+MS$FOCUSED_ION: PRECURSOR_M/Z 1039.3782
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 563791366.91
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0072-2900000000-e362f80e764173397685
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  73.0394 H3N5- 1 73.0394 0.25
+  74.0234 H2N4O- 1 74.0234 -0.48
+  86.0598 C2H6N4- 1 86.0598 0.19
+  87.0551 CH5N5- 1 87.055 0.3
+  95.024 C2HN5- 1 95.0237 2.29
+  99.0187 CHN5O- 1 99.0187 0.1
+  99.0438 C3H5N3O- 1 99.0438 0.12
+  101.0343 CH3N5O- 1 101.0343 -0.57
+  101.0706 C2H7N5- 1 101.0707 -1.26
+  110.0236 C3H2N4O- 1 110.0234 1.6
+  110.0471 C3H4N5- 1 110.0472 -0.82
+  111.0187 C2HN5O- 1 111.0187 0.07
+  111.0552 C3H5N5- 1 111.055 1.71
+  112.0265 C2H2N5O- 1 112.0265 -0.09
+  112.0391 C3H4N4O- 1 112.0391 -0.04
+  113.0343 C2H3N5O- 1 113.0343 -0.28
+  113.0707 C3H7N5- 1 113.0707 0.04
+  116.0704 C3H8N4O- 1 116.0704 0.16
+  123.0549 C4H5N5- 1 123.055 -1.48
+  125.0344 C3H3N5O- 1 125.0343 0.48
+  125.0706 C4H7N5- 1 125.0707 -0.57
+  126.0659 C3H6N6- 1 126.0659 -0.53
+  127.05 C3H5N5O- 1 127.05 0.12
+  130.0608 C2H6N6O- 1 130.0609 -0.2
+  137.0711 C5H7N5- 1 137.0707 3.03
+  138.0659 C4H6N6- 1 138.0659 -0.44
+  139.0501 C4H5N5O- 1 139.05 1.2
+  139.0863 C5H9N5- 1 139.0863 -0.29
+  141.0656 C4H7N5O- 1 141.0656 0.23
+  142.0498 C4H6N4O2- 1 142.0496 1.51
+  144.0767 C3H8N6O- 1 144.0765 1.05
+  151.0862 C6H9N5- 1 151.0863 -0.92
+  153.0294 C4H3N5O2- 1 153.0292 1.28
+  153.0659 C5H7N5O- 1 153.0656 1.72
+  156.0766 C4H8N6O- 1 156.0765 0.44
+  157.0971 C5H11N5O- 1 157.0969 1.24
+  159.0805 C9H9N3- 1 159.0802 1.68
+  160.0755 C8H8N4- 1 160.0754 0.2
+  165.0655 C6H7N5O- 1 165.0656 -0.62
+  166.0608 C5H6N6O- 1 166.0609 -0.37
+  170.0924 C5H10N6O- 1 170.0922 1.41
+  173.0707 C8H7N5- 1 173.0707 -0.08
+  174.091 C9H10N4- 1 174.0911 -0.68
+  178.0606 C6H6N6O- 1 178.0609 -1.31
+  183.952 C5H3BrN3- 1 183.9516 2.15
+  184.9597 C5H4BrN3- 1 184.9594 1.34
+  187.1074 C6H13N5O2- 2 187.1075 -0.52
+  190.0979 C8H10N6- 2 190.0972 3.55
+  196.1078 C7H12N6O- 1 196.1078 0
+  196.9593 C6H4BrN3- 1 196.9594 -0.57
+  203.0811 C9H9N5O- 1 203.0813 -0.84
+  204.0771 C8H8N6O- 2 204.0765 2.92
+  214.1184 C7H14N6O2- 2 214.1184 -0.1
+  225.9855 C5N5O6- 3 225.9854 0.25
+  239.9651 C7H5BrN4O- 2 239.9652 -0.54
+  260.1024 C11H12N6O2- 3 260.1027 -1.17
+  296.0278 C11H13BrN4O- 7 296.0278 0
+  317.161 CH27N5O13- 8 317.1611 -0.28
+PK$NUM_PEAK: 58
+PK$PEAK: m/z int. rel.int.
+  73.0394 7502746.5 859
+  74.0234 512933.9 58
+  86.0598 2183553.2 250
+  87.0551 2212796.2 253
+  95.024 746183.8 85
+  99.0187 6957331.5 797
+  99.0438 536813.5 61
+  101.0343 977732.8 112
+  101.0706 650289.2 74
+  110.0236 1568054.8 179
+  110.0471 507509.2 58
+  111.0187 987955.2 113
+  111.0552 1853604.6 212
+  112.0265 2013218.5 230
+  112.0391 439789.3 50
+  113.0343 1602961.8 183
+  113.0707 1241422.4 142
+  116.0704 5455238 624
+  123.0549 1011101.4 115
+  125.0344 3683992 422
+  125.0706 711025.8 81
+  126.0659 2554931.8 292
+  127.05 1965403 225
+  130.0608 815026.2 93
+  137.0711 394172.6 45
+  138.0659 1393027.4 159
+  139.0501 8720330 999
+  139.0863 870259.6 99
+  141.0656 962661.1 110
+  142.0498 1901943.4 217
+  144.0767 5065078.5 580
+  151.0862 749320 85
+  153.0294 373016 42
+  153.0659 390867 44
+  156.0766 5470121 626
+  157.0971 2438718.2 279
+  159.0805 451391.3 51
+  160.0755 5771467 661
+  165.0655 677920.6 77
+  166.0608 564824.2 64
+  170.0924 1091404.9 125
+  173.0707 423926 48
+  174.091 495553.8 56
+  178.0606 692993.1 79
+  183.952 598969.9 68
+  184.9597 434517.2 49
+  187.1074 783873.8 89
+  190.0979 704505.8 80
+  196.1078 1967164.2 225
+  196.9593 6185957 708
+  203.0811 1840385.1 210
+  204.0771 412662.1 47
+  214.1184 1029732 117
+  225.9855 481578.4 55
+  239.9651 1218000.8 139
+  260.1024 443247.6 50
+  296.0278 1531906.1 175
+  317.161 691049.6 79
+//
diff --git a/Eawag/MSBNK-MLU-ED234001.txt b/Eawag/MSBNK-MLU-ED234001.txt
new file mode 100644
index 0000000000..19d6f4a6ef
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED234001.txt
@@ -0,0 +1,51 @@
+ACCESSION: MSBNK-MLU-ED234001
+RECORD_TITLE: Insulapeptolide D; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], C. Mehner [dtc], G. M. Koenig  [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2340
+CH$NAME: Insulapeptolide D
+CH$NAME: N-((S)-1-((3R,3aR,6S,9S,12S,13S,14R,17S,20S,22aS)-6-((R)-sec-butyl)-12-((S)-sec-butyl)-14-hydroxy-20-isobutyl-9-(4-methoxybenzyl)-3,10-dimethyl-5,8,11,19,22,23-hexaoxoicosahydro-13,17-methanopyrrolo[2,3-t][1]oxa[4,7,10,15,18]pentaazacyclohenicosin-1(2H)-yl)-1-oxo-5-ureidopentan-2-yl)acetamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C48H75N9O12
+CH$EXACT_MASS: 969.5535188
+CH$SMILES: C[C@@H]1CN(C([C@@H](NC(C)=O)CCCNC(N)=O)=O)[C@H](C(N[C@@H](CC(C)C)C(N[C@@H]2C([N@@]([C@@H]([C@H](CC)C)C(N(C)[C@H]3CC4=CC=C(OC)C=C4)=O)[C@H](O)CC2)=O)=O)=O)[C@@H]1OC([C@H]([C@H](C)CC)NC3=O)=O
+CH$IUPAC: InChI=1S/C48H75N9O12/c1-11-26(5)37-47(66)69-40-28(7)24-56(44(63)32(51-29(8)58)14-13-21-50-48(49)67)39(40)43(62)53-34(22-25(3)4)41(60)52-33-19-20-36(59)57(45(33)64)38(27(6)12-2)46(65)55(9)35(42(61)54-37)23-30-15-17-31(68-10)18-16-30/h15-18,25-28,32-40,59H,11-14,19-24H2,1-10H3,(H,51,58)(H,52,60)(H,53,62)(H,54,61)(H3,49,50,67)/t26-,27+,28-,32+,33+,34+,35+,36-,37+,38+,39+,40-/m1/s1
+CH$LINK: INCHIKEY CHDGJSXGBVKFIF-LMGIIRSZSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 67-1010
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.073 min
+MS$FOCUSED_ION: BASE_PEAK 1008.516
+MS$FOCUSED_ION: PRECURSOR_M/Z 970.5608
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 76721586.66
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0udi-0000000901-c9b77fa337146d4e433c
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  200.1027 C8H14N3O3+ 1 200.103 -1.48
+  400.2233 C8H32N8O10+ 6 400.2236 -0.63
+  753.4544 C40H61N6O8+ 7 753.4545 -0.19
+  909.5443 C47H73N8O10+ 1 909.5444 -0.11
+  952.55 C48H74N9O11+ 1 952.5502 -0.28
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  200.1027 735609.7 19
+  400.2233 1295923.6 33
+  753.4544 38485968 999
+  909.5443 1777291.5 46
+  952.55 4495107 116
+//
diff --git a/Eawag/MSBNK-MLU-ED234002.txt b/Eawag/MSBNK-MLU-ED234002.txt
new file mode 100644
index 0000000000..50ffd38f61
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED234002.txt
@@ -0,0 +1,63 @@
+ACCESSION: MSBNK-MLU-ED234002
+RECORD_TITLE: Insulapeptolide D; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], C. Mehner [dtc], G. M. Koenig  [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2340
+CH$NAME: Insulapeptolide D
+CH$NAME: N-((S)-1-((3R,3aR,6S,9S,12S,13S,14R,17S,20S,22aS)-6-((R)-sec-butyl)-12-((S)-sec-butyl)-14-hydroxy-20-isobutyl-9-(4-methoxybenzyl)-3,10-dimethyl-5,8,11,19,22,23-hexaoxoicosahydro-13,17-methanopyrrolo[2,3-t][1]oxa[4,7,10,15,18]pentaazacyclohenicosin-1(2H)-yl)-1-oxo-5-ureidopentan-2-yl)acetamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C48H75N9O12
+CH$EXACT_MASS: 969.5535188
+CH$SMILES: C[C@@H]1CN(C([C@@H](NC(C)=O)CCCNC(N)=O)=O)[C@H](C(N[C@@H](CC(C)C)C(N[C@@H]2C([N@@]([C@@H]([C@H](CC)C)C(N(C)[C@H]3CC4=CC=C(OC)C=C4)=O)[C@H](O)CC2)=O)=O)=O)[C@@H]1OC([C@H]([C@H](C)CC)NC3=O)=O
+CH$IUPAC: InChI=1S/C48H75N9O12/c1-11-26(5)37-47(66)69-40-28(7)24-56(44(63)32(51-29(8)58)14-13-21-50-48(49)67)39(40)43(62)53-34(22-25(3)4)41(60)52-33-19-20-36(59)57(45(33)64)38(27(6)12-2)46(65)55(9)35(42(61)54-37)23-30-15-17-31(68-10)18-16-30/h15-18,25-28,32-40,59H,11-14,19-24H2,1-10H3,(H,51,58)(H,52,60)(H,53,62)(H,54,61)(H3,49,50,67)/t26-,27+,28-,32+,33+,34+,35+,36-,37+,38+,39+,40-/m1/s1
+CH$LINK: INCHIKEY CHDGJSXGBVKFIF-LMGIIRSZSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 67-1010
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.073 min
+MS$FOCUSED_ION: BASE_PEAK 1008.516
+MS$FOCUSED_ION: PRECURSOR_M/Z 970.5608
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 76721586.66
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0udi-0000200900-ff131b34d3742f8e2b2b
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  157.097 C7H13N2O2+ 1 157.0972 -0.89
+  200.1027 C8H14N3O3+ 1 200.103 -1.09
+  209.1281 C11H17N2O2+ 2 209.1285 -1.57
+  323.1974 C3H29N7O10+ 4 323.197 1.17
+  400.2234 C8H32N8O10+ 6 400.2236 -0.48
+  404.2546 C22H34N3O4+ 6 404.2544 0.5
+  545.3332 C29H45N4O6+ 7 545.3334 -0.36
+  725.4599 C39H61N6O7+ 7 725.4596 0.36
+  753.4543 C40H61N6O8+ 8 753.4545 -0.35
+  909.5442 C47H73N8O10+ 1 909.5444 -0.24
+  952.5492 C48H74N9O11+ 1 952.5502 -1.11
+PK$NUM_PEAK: 11
+PK$PEAK: m/z int. rel.int.
+  157.097 450746.2 13
+  200.1027 1909421.9 56
+  209.1281 1069201 31
+  323.1974 369517.4 10
+  400.2234 5578488 164
+  404.2546 4106621.8 120
+  545.3332 563085.1 16
+  725.4599 500290.7 14
+  753.4543 33974876 999
+  909.5442 2233397.8 65
+  952.5492 397378.5 11
+//
diff --git a/Eawag/MSBNK-MLU-ED234003.txt b/Eawag/MSBNK-MLU-ED234003.txt
new file mode 100644
index 0000000000..f14c3496ef
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED234003.txt
@@ -0,0 +1,109 @@
+ACCESSION: MSBNK-MLU-ED234003
+RECORD_TITLE: Insulapeptolide D; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], C. Mehner [dtc], G. M. Koenig  [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2340
+CH$NAME: Insulapeptolide D
+CH$NAME: N-((S)-1-((3R,3aR,6S,9S,12S,13S,14R,17S,20S,22aS)-6-((R)-sec-butyl)-12-((S)-sec-butyl)-14-hydroxy-20-isobutyl-9-(4-methoxybenzyl)-3,10-dimethyl-5,8,11,19,22,23-hexaoxoicosahydro-13,17-methanopyrrolo[2,3-t][1]oxa[4,7,10,15,18]pentaazacyclohenicosin-1(2H)-yl)-1-oxo-5-ureidopentan-2-yl)acetamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C48H75N9O12
+CH$EXACT_MASS: 969.5535188
+CH$SMILES: C[C@@H]1CN(C([C@@H](NC(C)=O)CCCNC(N)=O)=O)[C@H](C(N[C@@H](CC(C)C)C(N[C@@H]2C([N@@]([C@@H]([C@H](CC)C)C(N(C)[C@H]3CC4=CC=C(OC)C=C4)=O)[C@H](O)CC2)=O)=O)=O)[C@@H]1OC([C@H]([C@H](C)CC)NC3=O)=O
+CH$IUPAC: InChI=1S/C48H75N9O12/c1-11-26(5)37-47(66)69-40-28(7)24-56(44(63)32(51-29(8)58)14-13-21-50-48(49)67)39(40)43(62)53-34(22-25(3)4)41(60)52-33-19-20-36(59)57(45(33)64)38(27(6)12-2)46(65)55(9)35(42(61)54-37)23-30-15-17-31(68-10)18-16-30/h15-18,25-28,32-40,59H,11-14,19-24H2,1-10H3,(H,51,58)(H,52,60)(H,53,62)(H,54,61)(H3,49,50,67)/t26-,27+,28-,32+,33+,34+,35+,36-,37+,38+,39+,40-/m1/s1
+CH$LINK: INCHIKEY CHDGJSXGBVKFIF-LMGIIRSZSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 67-1010
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.073 min
+MS$FOCUSED_ION: BASE_PEAK 1008.516
+MS$FOCUSED_ION: PRECURSOR_M/Z 970.5608
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 76721586.66
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0udi-0330910400-36843cd9b3b43a242d59
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  70.0651 C4H8N+ 1 70.0651 0
+  86.0961 C5H12N+ 1 86.0964 -4.13
+  100.0753 C5H10NO+ 1 100.0757 -3.63
+  113.071 C5H9N2O+ 1 113.0709 0.11
+  115.0866 C5H11N2O+ 1 115.0866 0.48
+  153.1386 C9H17N2+ 1 153.1386 -0.27
+  157.0971 C7H13N2O2+ 1 157.0972 -0.5
+  164.1066 C10H14NO+ 1 164.107 -2.63
+  181.1333 C10H17N2O+ 1 181.1335 -1.44
+  183.0759 C8H11N2O3+ 2 183.0764 -2.82
+  192.1019 C11H14NO2+ 1 192.1019 -0.27
+  194.1174 C11H16NO2+ 1 194.1176 -0.89
+  195.1489 C11H19N2O+ 1 195.1492 -1.54
+  200.1029 C8H14N3O3+ 1 200.103 -0.41
+  209.1282 C11H17N2O2+ 1 209.1285 -1.13
+  213.1593 C11H21N2O2+ 2 213.1598 -2.12
+  223.1436 C12H19N2O2+ 2 223.1441 -2.43
+  241.1542 C12H21N2O3+ 2 241.1547 -1.82
+  249.1963 C15H25N2O+ 4 249.1961 0.52
+  277.1911 C16H25N2O2+ 3 277.1911 0.27
+  288.159 C17H22NO3+ 4 288.1594 -1.35
+  323.1971 C3H29N7O10+ 4 323.197 0.04
+  400.2236 C8H32N8O10+ 6 400.2236 -0.02
+  404.2547 C8H36N8O10+ 6 404.2549 -0.46
+  421.281 C22H37N4O4+ 7 421.2809 0.13
+  449.2761 C23H37N4O5+ 7 449.2758 0.54
+  517.3385 C28H45N4O5+ 7 517.3384 0.03
+  534.3656 C28H48N5O5+ 7 534.365 1.2
+  545.333 C29H45N4O6+ 7 545.3334 -0.7
+  562.3598 C29H48N5O6+ 8 562.3599 -0.22
+  640.3709 C34H50N5O7+ 9 640.3705 0.63
+  725.4596 C39H61N6O7+ 7 725.4596 -0.06
+  753.4547 C40H61N6O8+ 7 753.4545 0.22
+  909.5451 C47H73N8O10+ 1 909.5444 0.7
+PK$NUM_PEAK: 34
+PK$PEAK: m/z int. rel.int.
+  70.0651 182599.4 18
+  86.0961 221466.7 21
+  100.0753 198311.3 19
+  113.071 473454.7 46
+  115.0866 243644.4 24
+  153.1386 199833 19
+  157.0971 1121238 110
+  164.1066 2952082.8 291
+  181.1333 1134316 111
+  183.0759 106682 10
+  192.1019 153827.7 15
+  194.1174 180525.1 17
+  195.1489 120286.7 11
+  200.1029 1582888.8 156
+  209.1282 4325037.5 426
+  213.1593 441191.7 43
+  223.1436 228339 22
+  241.1542 289683 28
+  249.1963 122278.5 12
+  277.1911 441474 43
+  288.159 287803 28
+  323.1971 1402948.2 138
+  400.2236 8468925 835
+  404.2547 10125524 999
+  421.281 263793.9 26
+  449.2761 691355.6 68
+  517.3385 818239.7 80
+  534.3656 112117.1 11
+  545.333 657944.1 64
+  562.3598 731803.6 72
+  640.3709 856955 84
+  725.4596 1217499.2 120
+  753.4547 9135254 901
+  909.5451 635144.2 62
+//
diff --git a/Eawag/MSBNK-MLU-ED234004.txt b/Eawag/MSBNK-MLU-ED234004.txt
new file mode 100644
index 0000000000..e29e01b541
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED234004.txt
@@ -0,0 +1,115 @@
+ACCESSION: MSBNK-MLU-ED234004
+RECORD_TITLE: Insulapeptolide D; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], C. Mehner [dtc], G. M. Koenig  [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2340
+CH$NAME: Insulapeptolide D
+CH$NAME: N-((S)-1-((3R,3aR,6S,9S,12S,13S,14R,17S,20S,22aS)-6-((R)-sec-butyl)-12-((S)-sec-butyl)-14-hydroxy-20-isobutyl-9-(4-methoxybenzyl)-3,10-dimethyl-5,8,11,19,22,23-hexaoxoicosahydro-13,17-methanopyrrolo[2,3-t][1]oxa[4,7,10,15,18]pentaazacyclohenicosin-1(2H)-yl)-1-oxo-5-ureidopentan-2-yl)acetamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C48H75N9O12
+CH$EXACT_MASS: 969.5535188
+CH$SMILES: C[C@@H]1CN(C([C@@H](NC(C)=O)CCCNC(N)=O)=O)[C@H](C(N[C@@H](CC(C)C)C(N[C@@H]2C([N@@]([C@@H]([C@H](CC)C)C(N(C)[C@H]3CC4=CC=C(OC)C=C4)=O)[C@H](O)CC2)=O)=O)=O)[C@@H]1OC([C@H]([C@H](C)CC)NC3=O)=O
+CH$IUPAC: InChI=1S/C48H75N9O12/c1-11-26(5)37-47(66)69-40-28(7)24-56(44(63)32(51-29(8)58)14-13-21-50-48(49)67)39(40)43(62)53-34(22-25(3)4)41(60)52-33-19-20-36(59)57(45(33)64)38(27(6)12-2)46(65)55(9)35(42(61)54-37)23-30-15-17-31(68-10)18-16-30/h15-18,25-28,32-40,59H,11-14,19-24H2,1-10H3,(H,51,58)(H,52,60)(H,53,62)(H,54,61)(H3,49,50,67)/t26-,27+,28-,32+,33+,34+,35+,36-,37+,38+,39+,40-/m1/s1
+CH$LINK: INCHIKEY CHDGJSXGBVKFIF-LMGIIRSZSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 67-1010
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.073 min
+MS$FOCUSED_ION: BASE_PEAK 1008.516
+MS$FOCUSED_ION: PRECURSOR_M/Z 970.5608
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 76721586.66
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-114i-0961810100-4263868aadf1e9406964
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  70.0651 C4H8N+ 1 70.0651 0.21
+  82.0648 C5H8N+ 1 82.0651 -4.2
+  86.0963 C5H12N+ 1 86.0964 -0.94
+  100.0756 C5H10NO+ 1 100.0757 -0.81
+  113.0709 C5H9N2O+ 1 113.0709 -0.5
+  115.0866 C5H11N2O+ 1 115.0866 -0.31
+  136.1121 C9H14N+ 1 136.1121 0.35
+  153.1385 C9H17N2+ 1 153.1386 -0.97
+  157.0971 C7H13N2O2+ 1 157.0972 -0.6
+  164.1068 C10H14NO+ 1 164.107 -1.42
+  181.1333 C10H17N2O+ 1 181.1335 -1.35
+  192.1016 C11H14NO2+ 1 192.1019 -1.38
+  194.1174 C11H16NO2+ 1 194.1176 -0.89
+  195.149 C11H19N2O+ 1 195.1492 -0.99
+  200.1027 C8H14N3O3+ 1 200.103 -1.32
+  209.1282 C11H17N2O2+ 1 209.1285 -1.27
+  213.1594 C11H21N2O2+ 2 213.1598 -1.69
+  223.1434 C12H19N2O2+ 2 223.1441 -2.97
+  232.1686 H28N2O11+ 3 232.1688 -0.7
+  241.1541 C12H21N2O3+ 2 241.1547 -2.2
+  249.1957 C15H25N2O+ 5 249.1961 -1.63
+  277.1909 C16H25N2O2+ 4 277.1911 -0.5
+  288.1594 C17H22NO3+ 4 288.1594 -0.18
+  305.1862 C17H25N2O3+ 2 305.186 0.7
+  323.197 C3H29N7O10+ 4 323.197 -0.06
+  326.2445 C3H34N8O9+ 4 326.2443 0.51
+  400.2234 C8H32N8O10+ 6 400.2236 -0.4
+  404.2546 C22H34N3O4+ 6 404.2544 0.42
+  421.2804 C22H37N4O4+ 6 421.2809 -1.25
+  449.2754 C23H37N4O5+ 6 449.2758 -0.96
+  517.3384 C28H45N4O5+ 7 517.3384 -0.09
+  534.3647 C28H48N5O5+ 7 534.365 -0.51
+  545.333 C29H45N4O6+ 7 545.3334 -0.7
+  562.3597 C29H48N5O6+ 7 562.3599 -0.33
+  640.3707 C34H50N5O7+ 9 640.3705 0.35
+  725.4594 C39H61N6O7+ 7 725.4596 -0.31
+  753.4543 C40H61N6O8+ 7 753.4545 -0.27
+PK$NUM_PEAK: 37
+PK$PEAK: m/z int. rel.int.
+  70.0651 368715.5 36
+  82.0648 139256.8 13
+  86.0963 975395.7 97
+  100.0756 729684 73
+  113.0709 1201697 120
+  115.0866 693200.9 69
+  136.1121 123014.8 12
+  153.1385 815792.9 81
+  157.0971 1658066.1 166
+  164.1068 9024650 904
+  181.1333 3442232.8 345
+  192.1016 410793.1 41
+  194.1174 418322.2 41
+  195.149 305622.3 30
+  200.1027 1259025.9 126
+  209.1282 7177639 719
+  213.1594 1550195.5 155
+  223.1434 308220.7 30
+  232.1686 108222.9 10
+  241.1541 812866.8 81
+  249.1957 494374.7 49
+  277.1909 1381527.1 138
+  288.1594 801766.1 80
+  305.1862 957833.6 96
+  323.197 2351928.8 235
+  326.2445 425617.1 42
+  400.2234 6528685 654
+  404.2546 9967312 999
+  421.2804 619390.3 62
+  449.2754 753992.2 75
+  517.3384 1472379.6 147
+  534.3647 382085 38
+  545.333 298650.7 29
+  562.3597 577312.9 57
+  640.3707 600845.1 60
+  725.4594 963164.4 96
+  753.4543 1157835.8 116
+//
diff --git a/Eawag/MSBNK-MLU-ED234005.txt b/Eawag/MSBNK-MLU-ED234005.txt
new file mode 100644
index 0000000000..cf4eae4b26
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED234005.txt
@@ -0,0 +1,107 @@
+ACCESSION: MSBNK-MLU-ED234005
+RECORD_TITLE: Insulapeptolide D; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], C. Mehner [dtc], G. M. Koenig  [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2340
+CH$NAME: Insulapeptolide D
+CH$NAME: N-((S)-1-((3R,3aR,6S,9S,12S,13S,14R,17S,20S,22aS)-6-((R)-sec-butyl)-12-((S)-sec-butyl)-14-hydroxy-20-isobutyl-9-(4-methoxybenzyl)-3,10-dimethyl-5,8,11,19,22,23-hexaoxoicosahydro-13,17-methanopyrrolo[2,3-t][1]oxa[4,7,10,15,18]pentaazacyclohenicosin-1(2H)-yl)-1-oxo-5-ureidopentan-2-yl)acetamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C48H75N9O12
+CH$EXACT_MASS: 969.5535188
+CH$SMILES: C[C@@H]1CN(C([C@@H](NC(C)=O)CCCNC(N)=O)=O)[C@H](C(N[C@@H](CC(C)C)C(N[C@@H]2C([N@@]([C@@H]([C@H](CC)C)C(N(C)[C@H]3CC4=CC=C(OC)C=C4)=O)[C@H](O)CC2)=O)=O)=O)[C@@H]1OC([C@H]([C@H](C)CC)NC3=O)=O
+CH$IUPAC: InChI=1S/C48H75N9O12/c1-11-26(5)37-47(66)69-40-28(7)24-56(44(63)32(51-29(8)58)14-13-21-50-48(49)67)39(40)43(62)53-34(22-25(3)4)41(60)52-33-19-20-36(59)57(45(33)64)38(27(6)12-2)46(65)55(9)35(42(61)54-37)23-30-15-17-31(68-10)18-16-30/h15-18,25-28,32-40,59H,11-14,19-24H2,1-10H3,(H,51,58)(H,52,60)(H,53,62)(H,54,61)(H3,49,50,67)/t26-,27+,28-,32+,33+,34+,35+,36-,37+,38+,39+,40-/m1/s1
+CH$LINK: INCHIKEY CHDGJSXGBVKFIF-LMGIIRSZSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 67-1010
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.073 min
+MS$FOCUSED_ION: BASE_PEAK 1008.516
+MS$FOCUSED_ION: PRECURSOR_M/Z 970.5608
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 76721586.66
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03di-1920000000-5bc5f902c5cd508daae3
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  68.0495 C4H6N+ 1 68.0495 -0.09
+  70.0652 C4H8N+ 1 70.0651 0.87
+  82.0651 C5H8N+ 1 82.0651 -0.76
+  86.0964 C5H12N+ 1 86.0964 0.04
+  100.0756 C5H10NO+ 1 100.0757 -0.5
+  113.071 C5H9N2O+ 1 113.0709 0.11
+  114.055 C5H8NO2+ 1 114.055 0.48
+  115.0866 C5H11N2O+ 1 115.0866 -0.11
+  121.0645 C8H9O+ 1 121.0648 -2.59
+  124.112 C8H14N+ 1 124.1121 -0.28
+  136.112 C9H14N+ 1 136.1121 -0.88
+  138.1276 C9H16N+ 1 138.1277 -1.19
+  153.1385 C9H17N2+ 1 153.1386 -0.77
+  154.159 C10H20N+ 1 154.159 -0.35
+  157.0972 C7H13N2O2+ 1 157.0972 -0.02
+  164.1069 C10H14NO+ 1 164.107 -0.59
+  181.1334 C10H17N2O+ 1 181.1335 -0.93
+  185.1643 C10H21N2O+ 2 185.1648 -2.88
+  192.1017 C11H14NO2+ 1 192.1019 -0.9
+  194.1174 C11H16NO2+ 1 194.1176 -1.05
+  195.1491 C11H19N2O+ 1 195.1492 -0.6
+  200.1025 C8H14N3O3+ 2 200.103 -2.31
+  209.1282 C11H17N2O2+ 1 209.1285 -1.13
+  213.1595 C11H21N2O2+ 1 213.1598 -1.12
+  241.1542 C12H21N2O3+ 2 241.1547 -2.08
+  249.1958 C15H25N2O+ 5 249.1961 -1.56
+  277.1911 C16H25N2O2+ 3 277.1911 0.16
+  288.1594 C17H22NO3+ 4 288.1594 -0.08
+  305.1861 C17H25N2O3+ 3 305.186 0.3
+  323.1972 C3H29N7O10+ 4 323.197 0.41
+  326.2444 C3H34N8O9+ 4 326.2443 0.32
+  400.2235 C8H32N8O10+ 6 400.2236 -0.18
+  404.2548 C8H36N8O10+ 6 404.2549 -0.15
+PK$NUM_PEAK: 33
+PK$PEAK: m/z int. rel.int.
+  68.0495 529231 29
+  70.0652 1283261.9 71
+  82.0651 649558.8 36
+  86.0964 4363297.5 243
+  100.0756 2004002.9 111
+  113.071 1902993.2 106
+  114.055 227444.6 12
+  115.0866 1483390.2 82
+  121.0645 318061.7 17
+  124.112 500320.7 27
+  136.112 721932.1 40
+  138.1276 289552.4 16
+  153.1385 2072029.2 115
+  154.159 261999.5 14
+  157.0972 948382 52
+  164.1069 17885140 999
+  181.1334 6204670.5 346
+  185.1643 208931.9 11
+  192.1017 611357.8 34
+  194.1174 418948 23
+  195.1491 435547.8 24
+  200.1025 257063 14
+  209.1282 4051196.5 226
+  213.1595 3535481.2 197
+  241.1542 786569.4 43
+  249.1958 842234.6 47
+  277.1911 1306944 73
+  288.1594 1297848 72
+  305.1861 402551.6 22
+  323.1972 946612.8 52
+  326.2444 961840.9 53
+  400.2235 416173.4 23
+  404.2548 1419395.1 79
+//
diff --git a/Eawag/MSBNK-MLU-ED234006.txt b/Eawag/MSBNK-MLU-ED234006.txt
new file mode 100644
index 0000000000..971e4f8391
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED234006.txt
@@ -0,0 +1,113 @@
+ACCESSION: MSBNK-MLU-ED234006
+RECORD_TITLE: Insulapeptolide D; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], C. Mehner [dtc], G. M. Koenig  [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2340
+CH$NAME: Insulapeptolide D
+CH$NAME: N-((S)-1-((3R,3aR,6S,9S,12S,13S,14R,17S,20S,22aS)-6-((R)-sec-butyl)-12-((S)-sec-butyl)-14-hydroxy-20-isobutyl-9-(4-methoxybenzyl)-3,10-dimethyl-5,8,11,19,22,23-hexaoxoicosahydro-13,17-methanopyrrolo[2,3-t][1]oxa[4,7,10,15,18]pentaazacyclohenicosin-1(2H)-yl)-1-oxo-5-ureidopentan-2-yl)acetamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C48H75N9O12
+CH$EXACT_MASS: 969.5535188
+CH$SMILES: C[C@@H]1CN(C([C@@H](NC(C)=O)CCCNC(N)=O)=O)[C@H](C(N[C@@H](CC(C)C)C(N[C@@H]2C([N@@]([C@@H]([C@H](CC)C)C(N(C)[C@H]3CC4=CC=C(OC)C=C4)=O)[C@H](O)CC2)=O)=O)=O)[C@@H]1OC([C@H]([C@H](C)CC)NC3=O)=O
+CH$IUPAC: InChI=1S/C48H75N9O12/c1-11-26(5)37-47(66)69-40-28(7)24-56(44(63)32(51-29(8)58)14-13-21-50-48(49)67)39(40)43(62)53-34(22-25(3)4)41(60)52-33-19-20-36(59)57(45(33)64)38(27(6)12-2)46(65)55(9)35(42(61)54-37)23-30-15-17-31(68-10)18-16-30/h15-18,25-28,32-40,59H,11-14,19-24H2,1-10H3,(H,51,58)(H,52,60)(H,53,62)(H,54,61)(H3,49,50,67)/t26-,27+,28-,32+,33+,34+,35+,36-,37+,38+,39+,40-/m1/s1
+CH$LINK: INCHIKEY CHDGJSXGBVKFIF-LMGIIRSZSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 67-1010
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.073 min
+MS$FOCUSED_ION: BASE_PEAK 1008.516
+MS$FOCUSED_ION: PRECURSOR_M/Z 970.5608
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 76721586.66
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03di-2910000000-3fda0d13c3a9ded4bd62
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  68.0495 C4H6N+ 1 68.0495 0.69
+  69.0699 C5H9+ 1 69.0699 0.63
+  70.0652 C4H8N+ 1 70.0651 0.87
+  80.0493 C5H6N+ 1 80.0495 -2.6
+  82.0651 C5H8N+ 1 82.0651 -0.01
+  84.0808 C5H10N+ 1 84.0808 -0.07
+  86.0964 C5H12N+ 1 86.0964 -0.14
+  100.0756 C5H10NO+ 1 100.0757 -0.43
+  113.0709 C5H9N2O+ 1 113.0709 -0.02
+  114.0549 C5H8NO2+ 1 114.055 -0.05
+  115.0866 C5H11N2O+ 1 115.0866 -0.18
+  121.0647 C8H9O+ 1 121.0648 -0.45
+  124.1121 C8H14N+ 1 124.1121 -0.04
+  128.0706 C6H10NO2+ 1 128.0706 0.29
+  132.0807 C9H10N+ 1 132.0808 -0.7
+  135.0804 C9H11O+ 1 135.0804 -0.08
+  136.112 C9H14N+ 1 136.1121 -0.32
+  138.1276 C9H16N+ 1 138.1277 -0.75
+  149.083 C9H11NO+ 1 149.0835 -3.66
+  153.1385 C9H17N2+ 1 153.1386 -0.77
+  154.1589 C10H20N+ 1 154.159 -0.85
+  157.0971 C7H13N2O2+ 1 157.0972 -0.6
+  164.1069 C10H14NO+ 1 164.107 -0.59
+  168.138 C10H18NO+ 1 168.1383 -1.47
+  181.1334 C10H17N2O+ 1 181.1335 -1.02
+  185.1646 C10H21N2O+ 1 185.1648 -1.31
+  192.1016 C11H14NO2+ 1 192.1019 -1.38
+  194.1171 C11H16NO2+ 2 194.1176 -2.23
+  195.149 C11H19N2O+ 1 195.1492 -0.99
+  209.1283 C11H17N2O2+ 1 209.1285 -0.84
+  213.1595 C11H21N2O2+ 1 213.1598 -1.19
+  232.1689 H28N2O11+ 3 232.1688 0.48
+  241.154 C12H21N2O3+ 2 241.1547 -2.65
+  277.1911 C16H25N2O2+ 3 277.1911 0.16
+  288.1594 C17H22NO3+ 4 288.1594 -0.08
+  326.2446 C3H34N8O9+ 4 326.2443 0.79
+PK$NUM_PEAK: 36
+PK$PEAK: m/z int. rel.int.
+  68.0495 1856161.2 90
+  69.0699 364909.5 17
+  70.0652 2785650.5 135
+  80.0493 225118.1 10
+  82.0651 1161369.1 56
+  84.0808 310105.9 15
+  86.0964 9131579 443
+  100.0756 4483330.5 217
+  113.0709 2592897.2 125
+  114.0549 399486.6 19
+  115.0866 2123966.8 103
+  121.0647 816208.3 39
+  124.1121 1399219.2 67
+  128.0706 384611.4 18
+  132.0807 325560.3 15
+  135.0804 468736.3 22
+  136.112 1727456.9 83
+  138.1276 974960.9 47
+  149.083 479719.5 23
+  153.1385 2712764.8 131
+  154.1589 760529.4 36
+  157.0971 375323.2 18
+  164.1069 20581994 999
+  168.138 381232.7 18
+  181.1334 5193047 252
+  185.1646 223878 10
+  192.1016 452567.7 21
+  194.1171 240075 11
+  195.149 479483.4 23
+  209.1283 860338.2 41
+  213.1595 2813018.5 136
+  232.1689 391990 19
+  241.154 285324.8 13
+  277.1911 623614.7 30
+  288.1594 966175.2 46
+  326.2446 296420.2 14
+//
diff --git a/Eawag/MSBNK-MLU-ED234007.txt b/Eawag/MSBNK-MLU-ED234007.txt
new file mode 100644
index 0000000000..d4cb92d883
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED234007.txt
@@ -0,0 +1,123 @@
+ACCESSION: MSBNK-MLU-ED234007
+RECORD_TITLE: Insulapeptolide D; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], C. Mehner [dtc], G. M. Koenig  [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2340
+CH$NAME: Insulapeptolide D
+CH$NAME: N-((S)-1-((3R,3aR,6S,9S,12S,13S,14R,17S,20S,22aS)-6-((R)-sec-butyl)-12-((S)-sec-butyl)-14-hydroxy-20-isobutyl-9-(4-methoxybenzyl)-3,10-dimethyl-5,8,11,19,22,23-hexaoxoicosahydro-13,17-methanopyrrolo[2,3-t][1]oxa[4,7,10,15,18]pentaazacyclohenicosin-1(2H)-yl)-1-oxo-5-ureidopentan-2-yl)acetamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C48H75N9O12
+CH$EXACT_MASS: 969.5535188
+CH$SMILES: C[C@@H]1CN(C([C@@H](NC(C)=O)CCCNC(N)=O)=O)[C@H](C(N[C@@H](CC(C)C)C(N[C@@H]2C([N@@]([C@@H]([C@H](CC)C)C(N(C)[C@H]3CC4=CC=C(OC)C=C4)=O)[C@H](O)CC2)=O)=O)=O)[C@@H]1OC([C@H]([C@H](C)CC)NC3=O)=O
+CH$IUPAC: InChI=1S/C48H75N9O12/c1-11-26(5)37-47(66)69-40-28(7)24-56(44(63)32(51-29(8)58)14-13-21-50-48(49)67)39(40)43(62)53-34(22-25(3)4)41(60)52-33-19-20-36(59)57(45(33)64)38(27(6)12-2)46(65)55(9)35(42(61)54-37)23-30-15-17-31(68-10)18-16-30/h15-18,25-28,32-40,59H,11-14,19-24H2,1-10H3,(H,51,58)(H,52,60)(H,53,62)(H,54,61)(H3,49,50,67)/t26-,27+,28-,32+,33+,34+,35+,36-,37+,38+,39+,40-/m1/s1
+CH$LINK: INCHIKEY CHDGJSXGBVKFIF-LMGIIRSZSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 67-1010
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.073 min
+MS$FOCUSED_ION: BASE_PEAK 1008.516
+MS$FOCUSED_ION: PRECURSOR_M/Z 970.5608
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 76721586.66
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03dr-4900000000-05f3220e40541aaecea0
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  68.0496 C4H6N+ 1 68.0495 1.48
+  69.07 C5H9+ 1 69.0699 1.4
+  70.0652 C4H8N+ 1 70.0651 1.09
+  80.0494 C5H6N+ 1 80.0495 -0.88
+  82.0652 C5H8N+ 1 82.0651 0.36
+  83.0493 C5H7O+ 1 83.0491 1.59
+  84.0808 C5H10N+ 1 84.0808 0.11
+  86.0964 C5H12N+ 1 86.0964 0.13
+  94.0652 C6H8N+ 1 94.0651 1.06
+  96.0444 C5H6NO+ 1 96.0444 0.44
+  98.0965 C6H12N+ 1 98.0964 0.58
+  100.0757 C5H10NO+ 1 100.0757 -0.2
+  108.057 C7H8O+ 1 108.057 0.5
+  110.06 C6H8NO+ 1 110.06 -0.43
+  113.0709 C5H9N2O+ 1 113.0709 -0.02
+  114.0549 C5H8NO2+ 1 114.055 -0.52
+  115.0866 C5H11N2O+ 1 115.0866 -0.05
+  117.0573 C8H7N+ 1 117.0573 0.32
+  121.0647 C8H9O+ 1 121.0648 -0.39
+  123.0804 C8H11O+ 1 123.0804 -0.08
+  124.112 C8H14N+ 1 124.1121 -0.34
+  128.0705 C6H10NO2+ 1 128.0706 -0.54
+  132.0807 C9H10N+ 1 132.0808 -0.7
+  133.0884 C9H11N+ 1 133.0886 -1.69
+  134.0599 C8H8NO+ 1 134.06 -1.34
+  135.0804 C9H11O+ 1 135.0804 -0.08
+  136.112 C9H14N+ 1 136.1121 -0.66
+  138.1277 C9H16N+ 1 138.1277 -0.53
+  149.071 C8H9N2O+ 1 149.0709 0.65
+  149.0832 C9H11NO+ 1 149.0835 -1.82
+  153.1386 C9H17N2+ 1 153.1386 -0.47
+  154.159 C10H20N+ 1 154.159 -0.05
+  156.1381 C9H18NO+ 1 156.1383 -1.39
+  164.1069 C10H14NO+ 1 164.107 -0.49
+  167.1541 C10H19N2+ 1 167.1543 -1.08
+  168.1382 C10H18NO+ 1 168.1383 -0.65
+  181.1334 C10H17N2O+ 1 181.1335 -1.02
+  192.1011 C11H14NO2+ 2 192.1019 -4.16
+  195.1491 C11H19N2O+ 1 195.1492 -0.6
+  207.1123 C11H15N2O2+ 2 207.1128 -2.39
+  213.1595 C11H21N2O2+ 1 213.1598 -1.12
+PK$NUM_PEAK: 41
+PK$PEAK: m/z int. rel.int.
+  68.0496 3653393.8 236
+  69.07 764717.1 49
+  70.0652 4360438.5 282
+  80.0494 354098.8 22
+  82.0652 1454229.8 94
+  83.0493 227004.2 14
+  84.0808 367926.3 23
+  86.0964 9423551 610
+  94.0652 174231.9 11
+  96.0444 282776.3 18
+  98.0965 262550.6 17
+  100.0757 5146776.5 333
+  108.057 443450.2 28
+  110.06 245357.3 15
+  113.0709 2287722.2 148
+  114.0549 340416.2 22
+  115.0866 1777230.8 115
+  117.0573 272803.5 17
+  121.0647 1298328.1 84
+  123.0804 283517.7 18
+  124.112 1643747 106
+  128.0705 445126.1 28
+  132.0807 753877.4 48
+  133.0884 261819 16
+  134.0599 160586.4 10
+  135.0804 827118.9 53
+  136.112 2115557 137
+  138.1277 998533.6 64
+  149.071 165924.5 10
+  149.0832 1237302.9 80
+  153.1386 1436468.5 93
+  154.159 606593.4 39
+  156.1381 221943.5 14
+  164.1069 15417575 999
+  167.1541 218326 14
+  168.1382 270769.5 17
+  181.1334 1862230.9 120
+  192.1011 197484.7 12
+  195.1491 173042.4 11
+  207.1123 260073 16
+  213.1595 1044827.1 67
+//
diff --git a/Eawag/MSBNK-MLU-ED234008.txt b/Eawag/MSBNK-MLU-ED234008.txt
new file mode 100644
index 0000000000..26c2a5c21d
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED234008.txt
@@ -0,0 +1,139 @@
+ACCESSION: MSBNK-MLU-ED234008
+RECORD_TITLE: Insulapeptolide D; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], C. Mehner [dtc], G. M. Koenig  [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2340
+CH$NAME: Insulapeptolide D
+CH$NAME: N-((S)-1-((3R,3aR,6S,9S,12S,13S,14R,17S,20S,22aS)-6-((R)-sec-butyl)-12-((S)-sec-butyl)-14-hydroxy-20-isobutyl-9-(4-methoxybenzyl)-3,10-dimethyl-5,8,11,19,22,23-hexaoxoicosahydro-13,17-methanopyrrolo[2,3-t][1]oxa[4,7,10,15,18]pentaazacyclohenicosin-1(2H)-yl)-1-oxo-5-ureidopentan-2-yl)acetamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C48H75N9O12
+CH$EXACT_MASS: 969.5535188
+CH$SMILES: C[C@@H]1CN(C([C@@H](NC(C)=O)CCCNC(N)=O)=O)[C@H](C(N[C@@H](CC(C)C)C(N[C@@H]2C([N@@]([C@@H]([C@H](CC)C)C(N(C)[C@H]3CC4=CC=C(OC)C=C4)=O)[C@H](O)CC2)=O)=O)=O)[C@@H]1OC([C@H]([C@H](C)CC)NC3=O)=O
+CH$IUPAC: InChI=1S/C48H75N9O12/c1-11-26(5)37-47(66)69-40-28(7)24-56(44(63)32(51-29(8)58)14-13-21-50-48(49)67)39(40)43(62)53-34(22-25(3)4)41(60)52-33-19-20-36(59)57(45(33)64)38(27(6)12-2)46(65)55(9)35(42(61)54-37)23-30-15-17-31(68-10)18-16-30/h15-18,25-28,32-40,59H,11-14,19-24H2,1-10H3,(H,51,58)(H,52,60)(H,53,62)(H,54,61)(H3,49,50,67)/t26-,27+,28-,32+,33+,34+,35+,36-,37+,38+,39+,40-/m1/s1
+CH$LINK: INCHIKEY CHDGJSXGBVKFIF-LMGIIRSZSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 67-1010
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.073 min
+MS$FOCUSED_ION: BASE_PEAK 1008.516
+MS$FOCUSED_ION: PRECURSOR_M/Z 970.5608
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 76721586.66
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03ki-6900000000-79a26928b6cd8a541357
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  68.0496 C4H6N+ 1 68.0495 1.59
+  69.07 C5H9+ 1 69.0699 1.4
+  70.0652 C4H8N+ 1 70.0651 1.09
+  79.0542 C6H7+ 1 79.0542 -0.59
+  80.0495 C5H6N+ 1 80.0495 -0.12
+  82.0652 C5H8N+ 1 82.0651 0.55
+  83.0492 C5H7O+ 1 83.0491 0.94
+  84.0808 C5H10N+ 1 84.0808 0.74
+  86.0964 C5H12N+ 1 86.0964 0.22
+  91.0542 C7H7+ 1 91.0542 0
+  94.0651 C6H8N+ 1 94.0651 -0.73
+  96.0444 C5H6NO+ 1 96.0444 0.2
+  97.0761 C5H9N2+ 1 97.076 0.34
+  98.0602 C5H8NO+ 1 98.06 1.98
+  98.0964 C6H12N+ 1 98.0964 -0.28
+  100.0757 C5H10NO+ 1 100.0757 -0.12
+  105.0698 C8H9+ 1 105.0699 -0.27
+  108.057 C7H8O+ 1 108.057 0.07
+  108.0808 C7H10N+ 1 108.0808 -0.19
+  110.0602 C6H8NO+ 1 110.06 1.3
+  113.071 C5H9N2O+ 1 113.0709 0.25
+  114.0549 C5H8NO2+ 1 114.055 -0.05
+  115.0866 C5H11N2O+ 1 115.0866 0.09
+  117.0573 C8H7N+ 1 117.0573 -0.14
+  121.0648 C8H9O+ 1 121.0648 0.12
+  123.0804 C8H11O+ 1 123.0804 0.05
+  124.1121 C8H14N+ 1 124.1121 0.03
+  128.0706 C6H10NO2+ 1 128.0706 -0.07
+  132.0808 C9H10N+ 1 132.0808 -0.12
+  133.0652 C9H9O+ 1 133.0648 2.71
+  133.0886 C9H11N+ 1 133.0886 -0.08
+  134.0598 C8H8NO+ 1 134.06 -1.68
+  135.0804 C9H11O+ 1 135.0804 -0.41
+  136.112 C9H14N+ 1 136.1121 -0.44
+  138.1277 C9H16N+ 1 138.1277 -0.42
+  149.0711 C8H9N2O+ 1 149.0709 1.37
+  149.0833 C9H11NO+ 1 149.0835 -1.31
+  153.1386 C9H17N2+ 1 153.1386 -0.27
+  154.159 C10H20N+ 1 154.159 -0.45
+  156.1385 C9H18NO+ 1 156.1383 1.05
+  164.1069 C10H14NO+ 1 164.107 -0.31
+  165.066 C8H9N2O2+ 1 165.0659 0.9
+  167.154 C10H19N2+ 1 167.1543 -1.53
+  168.1382 C10H18NO+ 1 168.1383 -0.56
+  181.1334 C10H17N2O+ 1 181.1335 -1.02
+  188.1065 C12H14NO+ 2 188.107 -2.44
+  192.1017 C11H14NO2+ 1 192.1019 -0.9
+  207.1127 C11H15N2O2+ 1 207.1128 -0.62
+  213.16 C11H21N2O2+ 1 213.1598 1.24
+PK$NUM_PEAK: 49
+PK$PEAK: m/z int. rel.int.
+  68.0496 4616436 519
+  69.07 970544.2 109
+  70.0652 5405156.5 607
+  79.0542 106382.4 11
+  80.0495 555715.7 62
+  82.0652 1605905 180
+  83.0492 177384.5 19
+  84.0808 377133.5 42
+  86.0964 6837422.5 768
+  91.0542 354789.3 39
+  94.0651 209674.6 23
+  96.0444 246388.3 27
+  97.0761 110348.5 12
+  98.0602 122909.2 13
+  98.0964 257017.7 28
+  100.0757 4924066.5 553
+  105.0698 229928.6 25
+  108.057 644854.3 72
+  108.0808 119737.7 13
+  110.0602 207211.5 23
+  113.071 1475669.6 165
+  114.0549 204247 22
+  115.0866 1233526.6 138
+  117.0573 433961.7 48
+  121.0648 1733970.6 194
+  123.0804 522123.7 58
+  124.1121 1295248.1 145
+  128.0706 356364.8 40
+  132.0808 1033910.1 116
+  133.0652 131783.6 14
+  133.0886 561117.5 63
+  134.0598 401306.6 45
+  135.0804 895577.9 100
+  136.112 1580396.2 177
+  138.1277 727746.8 81
+  149.0711 187315.8 21
+  149.0833 2058534 231
+  153.1386 534791.1 60
+  154.159 214912.2 24
+  156.1385 148282.8 16
+  164.1069 8885944 999
+  165.066 148179.5 16
+  167.154 123415.8 13
+  168.1382 186572.4 20
+  181.1334 421098.1 47
+  188.1065 144765.2 16
+  192.1017 97046.8 10
+  207.1127 133102.1 14
+  213.16 215505.9 24
+//
diff --git a/Eawag/MSBNK-MLU-ED234009.txt b/Eawag/MSBNK-MLU-ED234009.txt
new file mode 100644
index 0000000000..fcb512eae8
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED234009.txt
@@ -0,0 +1,131 @@
+ACCESSION: MSBNK-MLU-ED234009
+RECORD_TITLE: Insulapeptolide D; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], C. Mehner [dtc], G. M. Koenig  [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2340
+CH$NAME: Insulapeptolide D
+CH$NAME: N-((S)-1-((3R,3aR,6S,9S,12S,13S,14R,17S,20S,22aS)-6-((R)-sec-butyl)-12-((S)-sec-butyl)-14-hydroxy-20-isobutyl-9-(4-methoxybenzyl)-3,10-dimethyl-5,8,11,19,22,23-hexaoxoicosahydro-13,17-methanopyrrolo[2,3-t][1]oxa[4,7,10,15,18]pentaazacyclohenicosin-1(2H)-yl)-1-oxo-5-ureidopentan-2-yl)acetamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C48H75N9O12
+CH$EXACT_MASS: 969.5535188
+CH$SMILES: C[C@@H]1CN(C([C@@H](NC(C)=O)CCCNC(N)=O)=O)[C@H](C(N[C@@H](CC(C)C)C(N[C@@H]2C([N@@]([C@@H]([C@H](CC)C)C(N(C)[C@H]3CC4=CC=C(OC)C=C4)=O)[C@H](O)CC2)=O)=O)=O)[C@@H]1OC([C@H]([C@H](C)CC)NC3=O)=O
+CH$IUPAC: InChI=1S/C48H75N9O12/c1-11-26(5)37-47(66)69-40-28(7)24-56(44(63)32(51-29(8)58)14-13-21-50-48(49)67)39(40)43(62)53-34(22-25(3)4)41(60)52-33-19-20-36(59)57(45(33)64)38(27(6)12-2)46(65)55(9)35(42(61)54-37)23-30-15-17-31(68-10)18-16-30/h15-18,25-28,32-40,59H,11-14,19-24H2,1-10H3,(H,51,58)(H,52,60)(H,53,62)(H,54,61)(H3,49,50,67)/t26-,27+,28-,32+,33+,34+,35+,36-,37+,38+,39+,40-/m1/s1
+CH$LINK: INCHIKEY CHDGJSXGBVKFIF-LMGIIRSZSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 67-1010
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.073 min
+MS$FOCUSED_ION: BASE_PEAK 1008.516
+MS$FOCUSED_ION: PRECURSOR_M/Z 970.5608
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 76721586.66
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-02mr-8900000000-a9faff5efc55acf5d6bd
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  68.0496 C4H6N+ 1 68.0495 1.59
+  69.07 C5H9+ 1 69.0699 1.4
+  70.0652 C4H8N+ 1 70.0651 1.09
+  79.0543 C6H7+ 1 79.0542 0.57
+  80.0495 C5H6N+ 1 80.0495 0.17
+  82.0651 C5H8N+ 1 82.0651 0.27
+  83.0492 C5H7O+ 1 83.0491 1.04
+  84.0808 C5H10N+ 1 84.0808 0.29
+  86.0964 C5H12N+ 1 86.0964 -0.05
+  91.0542 C7H7+ 1 91.0542 -0.16
+  94.0651 C6H8N+ 1 94.0651 -0.16
+  96.0444 C5H6NO+ 1 96.0444 0.2
+  97.0761 C5H9N2+ 1 97.076 0.42
+  98.06 C5H8NO+ 1 98.06 -0.82
+  98.0964 C6H12N+ 1 98.0964 -0.2
+  100.0757 C5H10NO+ 1 100.0757 -0.05
+  105.0699 C8H9+ 1 105.0699 0.09
+  108.057 C7H8O+ 1 108.057 0.21
+  108.0808 C7H10N+ 1 108.0808 0.02
+  110.0602 C6H8NO+ 1 110.06 1.44
+  113.0709 C5H9N2O+ 1 113.0709 -0.02
+  114.055 C5H8NO2+ 1 114.055 0.08
+  115.0866 C5H11N2O+ 1 115.0866 0.22
+  117.0573 C8H7N+ 1 117.0573 -0.14
+  121.0648 C8H9O+ 1 121.0648 -0.01
+  123.0805 C8H11O+ 1 123.0804 0.23
+  124.1121 C8H14N+ 1 124.1121 0.15
+  128.0706 C6H10NO2+ 1 128.0706 0.29
+  132.0808 C9H10N+ 1 132.0808 0.11
+  133.065 C9H9O+ 1 133.0648 1.91
+  133.0886 C9H11N+ 1 133.0886 -0.2
+  134.06 C8H8NO+ 1 134.06 -0.32
+  135.0804 C9H11O+ 1 135.0804 -0.19
+  136.112 C9H14N+ 1 136.1121 -0.55
+  138.1276 C9H16N+ 1 138.1277 -0.64
+  148.0756 C9H10NO+ 1 148.0757 -0.5
+  149.0715 C8H9N2O+ 1 149.0709 3.73
+  149.0834 C9H11NO+ 1 149.0835 -0.8
+  153.1384 C9H17N2+ 1 153.1386 -1.17
+  154.1589 C10H20N+ 1 154.159 -0.95
+  164.1069 C10H14NO+ 1 164.107 -0.4
+  165.0661 C8H9N2O2+ 1 165.0659 1.27
+  168.1383 C10H18NO+ 1 168.1383 0.26
+  181.1331 C10H17N2O+ 2 181.1335 -2.7
+  188.1067 C12H14NO+ 1 188.107 -1.47
+PK$NUM_PEAK: 45
+PK$PEAK: m/z int. rel.int.
+  68.0496 6158440.5 962
+  69.07 1308451.9 204
+  70.0652 6391836 999
+  79.0543 208422.6 32
+  80.0495 766808.2 119
+  82.0651 1902625.5 297
+  83.0492 130776.4 20
+  84.0808 326154.5 50
+  86.0964 5175462 808
+  91.0542 591448.8 92
+  94.0651 415958.2 65
+  96.0444 265019.2 41
+  97.0761 168404 26
+  98.06 85656.1 13
+  98.0964 200870.5 31
+  100.0757 4396575.5 687
+  105.0699 425663.5 66
+  108.057 784101.6 122
+  108.0808 177068.2 27
+  110.0602 204799.1 32
+  113.0709 823525.4 128
+  114.055 112712.6 17
+  115.0866 756165.6 118
+  117.0573 650262.5 101
+  121.0648 2470285 386
+  123.0805 649032.2 101
+  124.1121 824031 128
+  128.0706 307659.4 48
+  132.0808 1175093.4 183
+  133.065 135814.1 21
+  133.0886 879792.1 137
+  134.06 767980.4 120
+  135.0804 904541.2 141
+  136.112 1286816.2 201
+  138.1276 357428.2 55
+  148.0756 169925.8 26
+  149.0715 176925 27
+  149.0834 2674136 417
+  153.1384 197794.5 30
+  154.1589 115153 17
+  164.1069 4807011 751
+  165.0661 128714.7 20
+  168.1383 136278.9 21
+  181.1331 90948.9 14
+  188.1067 99405 15
+//
diff --git a/Eawag/MSBNK-MLU-ED234051.txt b/Eawag/MSBNK-MLU-ED234051.txt
new file mode 100644
index 0000000000..bc2a91dd54
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED234051.txt
@@ -0,0 +1,47 @@
+ACCESSION: MSBNK-MLU-ED234051
+RECORD_TITLE: Insulapeptolide D; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], C. Mehner [dtc], G. M. Koenig  [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2340
+CH$NAME: Insulapeptolide D
+CH$NAME: N-((S)-1-((3R,3aR,6S,9S,12S,13S,14R,17S,20S,22aS)-6-((R)-sec-butyl)-12-((S)-sec-butyl)-14-hydroxy-20-isobutyl-9-(4-methoxybenzyl)-3,10-dimethyl-5,8,11,19,22,23-hexaoxoicosahydro-13,17-methanopyrrolo[2,3-t][1]oxa[4,7,10,15,18]pentaazacyclohenicosin-1(2H)-yl)-1-oxo-5-ureidopentan-2-yl)acetamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C48H75N9O12
+CH$EXACT_MASS: 969.5535188
+CH$SMILES: C[C@@H]1CN(C([C@@H](NC(C)=O)CCCNC(N)=O)=O)[C@H](C(N[C@@H](CC(C)C)C(N[C@@H]2C([N@@]([C@@H]([C@H](CC)C)C(N(C)[C@H]3CC4=CC=C(OC)C=C4)=O)[C@H](O)CC2)=O)=O)=O)[C@@H]1OC([C@H]([C@H](C)CC)NC3=O)=O
+CH$IUPAC: InChI=1S/C48H75N9O12/c1-11-26(5)37-47(66)69-40-28(7)24-56(44(63)32(51-29(8)58)14-13-21-50-48(49)67)39(40)43(62)53-34(22-25(3)4)41(60)52-33-19-20-36(59)57(45(33)64)38(27(6)12-2)46(65)55(9)35(42(61)54-37)23-30-15-17-31(68-10)18-16-30/h15-18,25-28,32-40,59H,11-14,19-24H2,1-10H3,(H,51,58)(H,52,60)(H,53,62)(H,54,61)(H3,49,50,67)/t26-,27+,28-,32+,33+,34+,35+,36-,37+,38+,39+,40-/m1/s1
+CH$LINK: INCHIKEY CHDGJSXGBVKFIF-LMGIIRSZSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 67-1005
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.094 min
+MS$FOCUSED_ION: BASE_PEAK 968.5455
+MS$FOCUSED_ION: PRECURSOR_M/Z 968.5462
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 42886227.49
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-004j-0000009000-d53442194dd4e04c0e44
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  625.3671 C42H47N3O2- 9 625.3674 -0.39
+  695.4093 C46H53N3O3- 10 695.4092 0.12
+  968.5468 C48H74N9O12- 1 968.5462 0.53
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  625.3671 8597475 999
+  695.4093 8204999 953
+  968.5468 1097342.1 127
+//
diff --git a/Eawag/MSBNK-MLU-ED234052.txt b/Eawag/MSBNK-MLU-ED234052.txt
new file mode 100644
index 0000000000..b2d2dc9960
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED234052.txt
@@ -0,0 +1,57 @@
+ACCESSION: MSBNK-MLU-ED234052
+RECORD_TITLE: Insulapeptolide D; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], C. Mehner [dtc], G. M. Koenig  [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2340
+CH$NAME: Insulapeptolide D
+CH$NAME: N-((S)-1-((3R,3aR,6S,9S,12S,13S,14R,17S,20S,22aS)-6-((R)-sec-butyl)-12-((S)-sec-butyl)-14-hydroxy-20-isobutyl-9-(4-methoxybenzyl)-3,10-dimethyl-5,8,11,19,22,23-hexaoxoicosahydro-13,17-methanopyrrolo[2,3-t][1]oxa[4,7,10,15,18]pentaazacyclohenicosin-1(2H)-yl)-1-oxo-5-ureidopentan-2-yl)acetamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C48H75N9O12
+CH$EXACT_MASS: 969.5535188
+CH$SMILES: C[C@@H]1CN(C([C@@H](NC(C)=O)CCCNC(N)=O)=O)[C@H](C(N[C@@H](CC(C)C)C(N[C@@H]2C([N@@]([C@@H]([C@H](CC)C)C(N(C)[C@H]3CC4=CC=C(OC)C=C4)=O)[C@H](O)CC2)=O)=O)=O)[C@@H]1OC([C@H]([C@H](C)CC)NC3=O)=O
+CH$IUPAC: InChI=1S/C48H75N9O12/c1-11-26(5)37-47(66)69-40-28(7)24-56(44(63)32(51-29(8)58)14-13-21-50-48(49)67)39(40)43(62)53-34(22-25(3)4)41(60)52-33-19-20-36(59)57(45(33)64)38(27(6)12-2)46(65)55(9)35(42(61)54-37)23-30-15-17-31(68-10)18-16-30/h15-18,25-28,32-40,59H,11-14,19-24H2,1-10H3,(H,51,58)(H,52,60)(H,53,62)(H,54,61)(H3,49,50,67)/t26-,27+,28-,32+,33+,34+,35+,36-,37+,38+,39+,40-/m1/s1
+CH$LINK: INCHIKEY CHDGJSXGBVKFIF-LMGIIRSZSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 67-1005
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.094 min
+MS$FOCUSED_ION: BASE_PEAK 968.5455
+MS$FOCUSED_ION: PRECURSOR_M/Z 968.5462
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 42886227.49
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-004i-0000039000-584fa63698632f29a46e
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  452.2509 C35H32- 7 452.2509 -0.21
+  478.3032 C23H44NO9- 6 478.3022 2.28
+  582.3617 C41H46N2O- 8 582.3616 0.25
+  608.3417 C28H46N7O8- 7 608.3413 0.67
+  625.3675 C42H47N3O2- 11 625.3674 0.19
+  626.3702 C36H52NO8- 9 626.3698 0.64
+  695.4094 C46H53N3O3- 10 695.4092 0.2
+  968.5471 C48H74N9O12- 1 968.5462 0.91
+PK$NUM_PEAK: 8
+PK$PEAK: m/z int. rel.int.
+  452.2509 296907.5 32
+  478.3032 127763.8 13
+  582.3617 3640383 396
+  608.3417 266605 29
+  625.3675 9167624 999
+  626.3702 406901 44
+  695.4094 715623.9 77
+  968.5471 553719.3 60
+//
diff --git a/Eawag/MSBNK-MLU-ED234053.txt b/Eawag/MSBNK-MLU-ED234053.txt
new file mode 100644
index 0000000000..040ddf884b
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED234053.txt
@@ -0,0 +1,67 @@
+ACCESSION: MSBNK-MLU-ED234053
+RECORD_TITLE: Insulapeptolide D; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], C. Mehner [dtc], G. M. Koenig  [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2340
+CH$NAME: Insulapeptolide D
+CH$NAME: N-((S)-1-((3R,3aR,6S,9S,12S,13S,14R,17S,20S,22aS)-6-((R)-sec-butyl)-12-((S)-sec-butyl)-14-hydroxy-20-isobutyl-9-(4-methoxybenzyl)-3,10-dimethyl-5,8,11,19,22,23-hexaoxoicosahydro-13,17-methanopyrrolo[2,3-t][1]oxa[4,7,10,15,18]pentaazacyclohenicosin-1(2H)-yl)-1-oxo-5-ureidopentan-2-yl)acetamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C48H75N9O12
+CH$EXACT_MASS: 969.5535188
+CH$SMILES: C[C@@H]1CN(C([C@@H](NC(C)=O)CCCNC(N)=O)=O)[C@H](C(N[C@@H](CC(C)C)C(N[C@@H]2C([N@@]([C@@H]([C@H](CC)C)C(N(C)[C@H]3CC4=CC=C(OC)C=C4)=O)[C@H](O)CC2)=O)=O)=O)[C@@H]1OC([C@H]([C@H](C)CC)NC3=O)=O
+CH$IUPAC: InChI=1S/C48H75N9O12/c1-11-26(5)37-47(66)69-40-28(7)24-56(44(63)32(51-29(8)58)14-13-21-50-48(49)67)39(40)43(62)53-34(22-25(3)4)41(60)52-33-19-20-36(59)57(45(33)64)38(27(6)12-2)46(65)55(9)35(42(61)54-37)23-30-15-17-31(68-10)18-16-30/h15-18,25-28,32-40,59H,11-14,19-24H2,1-10H3,(H,51,58)(H,52,60)(H,53,62)(H,54,61)(H3,49,50,67)/t26-,27+,28-,32+,33+,34+,35+,36-,37+,38+,39+,40-/m1/s1
+CH$LINK: INCHIKEY CHDGJSXGBVKFIF-LMGIIRSZSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 67-1005
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.094 min
+MS$FOCUSED_ION: BASE_PEAK 968.5455
+MS$FOCUSED_ION: PRECURSOR_M/Z 968.5462
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 42886227.49
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-003r-0000194000-e3ab4355879c93f77f76
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  369.2495 C17H37O8- 5 369.2494 0.39
+  395.2299 C19H31N4O5- 7 395.23 -0.29
+  426.2713 C19H40NO9- 4 426.2709 1.06
+  452.2507 C35H32- 7 452.2509 -0.61
+  478.3032 C23H44NO9- 7 478.3022 2.15
+  526.3351 C38H42N2- 7 526.3353 -0.45
+  529.301 C26H39N7O5- 7 529.3018 -1.47
+  582.3613 C41H46N2O- 8 582.3616 -0.48
+  583.3635 C19H51N8O12- 7 583.3632 0.6
+  608.3413 C28H46N7O8- 8 608.3413 -0.13
+  625.3672 C42H47N3O2- 9 625.3674 -0.29
+  626.3701 C36H52NO8- 9 626.3698 0.45
+  968.5451 C48H74N9O12- 1 968.5462 -1.17
+PK$NUM_PEAK: 13
+PK$PEAK: m/z int. rel.int.
+  369.2495 122971 15
+  395.2299 93907 11
+  426.2713 211614.7 26
+  452.2507 1047536.4 130
+  478.3032 165656.8 20
+  526.3351 427983.8 53
+  529.301 108833.5 13
+  582.3613 8046173 999
+  583.3635 323926.5 40
+  608.3413 424436.7 52
+  625.3672 4266124.5 529
+  626.3701 182881.5 22
+  968.5451 206654.6 25
+//
diff --git a/Eawag/MSBNK-MLU-ED234054.txt b/Eawag/MSBNK-MLU-ED234054.txt
new file mode 100644
index 0000000000..ea391296aa
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED234054.txt
@@ -0,0 +1,89 @@
+ACCESSION: MSBNK-MLU-ED234054
+RECORD_TITLE: Insulapeptolide D; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], C. Mehner [dtc], G. M. Koenig  [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2340
+CH$NAME: Insulapeptolide D
+CH$NAME: N-((S)-1-((3R,3aR,6S,9S,12S,13S,14R,17S,20S,22aS)-6-((R)-sec-butyl)-12-((S)-sec-butyl)-14-hydroxy-20-isobutyl-9-(4-methoxybenzyl)-3,10-dimethyl-5,8,11,19,22,23-hexaoxoicosahydro-13,17-methanopyrrolo[2,3-t][1]oxa[4,7,10,15,18]pentaazacyclohenicosin-1(2H)-yl)-1-oxo-5-ureidopentan-2-yl)acetamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C48H75N9O12
+CH$EXACT_MASS: 969.5535188
+CH$SMILES: C[C@@H]1CN(C([C@@H](NC(C)=O)CCCNC(N)=O)=O)[C@H](C(N[C@@H](CC(C)C)C(N[C@@H]2C([N@@]([C@@H]([C@H](CC)C)C(N(C)[C@H]3CC4=CC=C(OC)C=C4)=O)[C@H](O)CC2)=O)=O)=O)[C@@H]1OC([C@H]([C@H](C)CC)NC3=O)=O
+CH$IUPAC: InChI=1S/C48H75N9O12/c1-11-26(5)37-47(66)69-40-28(7)24-56(44(63)32(51-29(8)58)14-13-21-50-48(49)67)39(40)43(62)53-34(22-25(3)4)41(60)52-33-19-20-36(59)57(45(33)64)38(27(6)12-2)46(65)55(9)35(42(61)54-37)23-30-15-17-31(68-10)18-16-30/h15-18,25-28,32-40,59H,11-14,19-24H2,1-10H3,(H,51,58)(H,52,60)(H,53,62)(H,54,61)(H3,49,50,67)/t26-,27+,28-,32+,33+,34+,35+,36-,37+,38+,39+,40-/m1/s1
+CH$LINK: INCHIKEY CHDGJSXGBVKFIF-LMGIIRSZSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 67-1005
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.094 min
+MS$FOCUSED_ION: BASE_PEAK 968.5455
+MS$FOCUSED_ION: PRECURSOR_M/Z 968.5462
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 42886227.49
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-001i-0001190000-a5a96954891298a48d6b
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  169.0967 C6H11N5O- 1 169.0969 -1.52
+  172.1078 C5H12N6O- 1 172.1078 0.05
+  212.1384 C8H16N6O- 3 212.1391 -3.25
+  226.1181 C8H14N6O2- 3 226.1184 -1.11
+  229.1283 C7H15N7O2- 3 229.1293 -4.35
+  238.1545 C10H18N6O- 3 238.1548 -0.88
+  240.1342 C9H16N6O2- 1 240.134 0.57
+  299.1718 C12H27O8- 3 299.1711 2.06
+  325.1871 C14H29O8- 4 325.1868 1.03
+  335.2081 C16H31O7- 5 335.2075 1.65
+  356.2292 C15H34NO8- 4 356.229 0.59
+  369.2498 C17H37O8- 5 369.2494 1.22
+  370.2451 C16H36NO8- 4 370.2446 1.19
+  391.2356 C6H33N9O10- 7 391.2356 -0.09
+  396.224 C17H34NO9- 4 396.2239 0.29
+  426.2719 C20H36N5O5- 5 426.2722 -0.79
+  452.2507 C35H32- 7 452.2509 -0.48
+  478.304 C23H44NO9- 7 478.3022 3.81
+  526.3351 C38H42N2- 7 526.3353 -0.45
+  529.3006 C26H39N7O5- 6 529.3018 -2.27
+  582.3614 C41H46N2O- 8 582.3616 -0.27
+  583.363 C19H51N8O12- 7 583.3632 -0.35
+  608.3419 C28H46N7O8- 8 608.3413 0.87
+  625.3672 C42H47N3O2- 9 625.3674 -0.29
+PK$NUM_PEAK: 24
+PK$PEAK: m/z int. rel.int.
+  169.0967 106772.1 17
+  172.1078 168120.2 27
+  212.1384 95314.7 15
+  226.1181 160843.5 26
+  229.1283 91627.4 15
+  238.1545 125915.7 20
+  240.1342 100346.1 16
+  299.1718 62570.6 10
+  325.1871 67639 11
+  335.2081 176557 29
+  356.2292 124480.8 20
+  369.2498 297664.6 49
+  370.2451 152618.2 25
+  391.2356 117954.4 19
+  396.224 153196.2 25
+  426.2719 368019.4 60
+  452.2507 951011.9 156
+  478.304 64264 10
+  526.3351 1187287.8 195
+  529.3006 66343.2 10
+  582.3614 6061502 999
+  583.363 278298.6 45
+  608.3419 162802 26
+  625.3672 610742.5 100
+//
diff --git a/Eawag/MSBNK-MLU-ED234055.txt b/Eawag/MSBNK-MLU-ED234055.txt
new file mode 100644
index 0000000000..533132ffec
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED234055.txt
@@ -0,0 +1,131 @@
+ACCESSION: MSBNK-MLU-ED234055
+RECORD_TITLE: Insulapeptolide D; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], C. Mehner [dtc], G. M. Koenig  [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2340
+CH$NAME: Insulapeptolide D
+CH$NAME: N-((S)-1-((3R,3aR,6S,9S,12S,13S,14R,17S,20S,22aS)-6-((R)-sec-butyl)-12-((S)-sec-butyl)-14-hydroxy-20-isobutyl-9-(4-methoxybenzyl)-3,10-dimethyl-5,8,11,19,22,23-hexaoxoicosahydro-13,17-methanopyrrolo[2,3-t][1]oxa[4,7,10,15,18]pentaazacyclohenicosin-1(2H)-yl)-1-oxo-5-ureidopentan-2-yl)acetamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C48H75N9O12
+CH$EXACT_MASS: 969.5535188
+CH$SMILES: C[C@@H]1CN(C([C@@H](NC(C)=O)CCCNC(N)=O)=O)[C@H](C(N[C@@H](CC(C)C)C(N[C@@H]2C([N@@]([C@@H]([C@H](CC)C)C(N(C)[C@H]3CC4=CC=C(OC)C=C4)=O)[C@H](O)CC2)=O)=O)=O)[C@@H]1OC([C@H]([C@H](C)CC)NC3=O)=O
+CH$IUPAC: InChI=1S/C48H75N9O12/c1-11-26(5)37-47(66)69-40-28(7)24-56(44(63)32(51-29(8)58)14-13-21-50-48(49)67)39(40)43(62)53-34(22-25(3)4)41(60)52-33-19-20-36(59)57(45(33)64)38(27(6)12-2)46(65)55(9)35(42(61)54-37)23-30-15-17-31(68-10)18-16-30/h15-18,25-28,32-40,59H,11-14,19-24H2,1-10H3,(H,51,58)(H,52,60)(H,53,62)(H,54,61)(H3,49,50,67)/t26-,27+,28-,32+,33+,34+,35+,36-,37+,38+,39+,40-/m1/s1
+CH$LINK: INCHIKEY CHDGJSXGBVKFIF-LMGIIRSZSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 67-1005
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.094 min
+MS$FOCUSED_ION: BASE_PEAK 968.5455
+MS$FOCUSED_ION: PRECURSOR_M/Z 968.5462
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 42886227.49
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-02or-0976030000-9287773a6536cc7a2d1a
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  84.0077 CN4O- 1 84.0078 -0.34
+  99.0187 CHN5O- 1 99.0187 0.1
+  100.0757 C3H8N4- 1 100.0754 2.38
+  113.0706 C3H7N5- 1 113.0707 -0.7
+  125.071 C4H7N5- 1 125.0707 2.36
+  129.1021 C4H11N5- 1 129.102 0.7
+  130.0861 C4H10N4O- 1 130.086 0.58
+  130.0971 C3H10N6- 1 130.0972 -0.73
+  141.1022 C5H11N5- 1 141.102 1.68
+  143.1177 C5H13N5- 1 143.1176 0.71
+  151.0862 C6H9N5- 1 151.0863 -0.92
+  152.0706 C6H8N4O- 1 152.0704 1.87
+  153.1021 C6H11N5- 1 153.102 0.46
+  155.0813 C5H9N5O- 1 155.0813 0.09
+  165.1013 C7H11N5- 2 165.102 -4.28
+  168.1134 C6H12N6- 1 168.1129 2.93
+  169.0968 C6H11N5O- 1 169.0969 -0.53
+  172.1077 C5H12N6O- 1 172.1078 -0.75
+  173.0919 C5H11N5O2- 1 173.0918 0.29
+  181.097 C7H11N5O- 1 181.0969 0.46
+  186.1231 C6H14N6O- 1 186.1235 -1.89
+  200.139 C7H16N6O- 1 200.1391 -0.64
+  201.1344 C7H21O6- 2 201.1344 0.27
+  203.1174 C10H13N5- 1 203.1176 -0.96
+  211.1185 C7H13N7O- 2 211.1187 -1.01
+  212.139 C8H16N6O- 1 212.1391 -0.73
+  222.1231 C9H14N6O- 3 222.1235 -1.63
+  226.1182 C8H14N6O2- 1 226.1184 -0.77
+  229.1293 C7H15N7O2- 2 229.1293 -0.09
+  238.1544 C10H18N6O- 3 238.1548 -1.46
+  239.126 C8H19N2O6- 3 239.1249 4.72
+  240.1335 C9H16N6O2- 3 240.134 -1.97
+  242.1491 C9H18N6O2- 3 242.1497 -2.2
+  257.1599 C9H19N7O2- 3 257.1606 -2.56
+  295.2121 C13H25N7O- 4 295.2126 -1.59
+  299.2073 C12H25N7O2- 3 299.2075 -0.6
+  313.2237 C14H33O7- 4 313.2232 1.75
+  342.2143 C15H28N5O4- 3 342.2147 -1.12
+  356.2293 C15H34NO8- 4 356.229 0.94
+  370.2452 C16H36NO8- 3 370.2446 1.6
+  395.2294 C19H31N4O5- 6 395.23 -1.53
+  426.2716 C20H36N5O5- 6 426.2722 -1.36
+  452.2506 C35H32- 7 452.2509 -0.81
+  526.3352 C38H42N2- 7 526.3353 -0.22
+  582.3613 C41H46N2O- 8 582.3616 -0.38
+PK$NUM_PEAK: 45
+PK$PEAK: m/z int. rel.int.
+  84.0077 13577.6 13
+  99.0187 33550.1 34
+  100.0757 18436 18
+  113.0706 36502.6 37
+  125.071 22195.9 22
+  129.1021 362416 372
+  130.0861 157275.5 161
+  130.0971 108440.1 111
+  141.1022 35573 36
+  143.1177 260394.9 267
+  151.0862 82730.2 84
+  152.0706 19894.9 20
+  153.1021 53517.2 54
+  155.0813 208728.2 214
+  165.1013 59179.2 60
+  168.1134 26195.7 26
+  169.0968 844506.8 867
+  172.1077 606884.4 623
+  173.0919 32116.8 32
+  181.097 36911.6 37
+  186.1231 190051.5 195
+  200.139 571963.6 587
+  201.1344 13972.2 14
+  203.1174 36102.8 37
+  211.1185 40073.2 41
+  212.139 376387.7 386
+  222.1231 28340.7 29
+  226.1182 311989.2 320
+  229.1293 221079.6 227
+  238.1544 297086.8 305
+  239.126 101387.5 104
+  240.1335 244622.8 251
+  242.1491 95515.2 98
+  257.1599 67249.9 69
+  295.2121 65404.9 67
+  299.2073 73945.3 75
+  313.2237 972547.2 999
+  342.2143 139119.6 142
+  356.2293 269140.3 276
+  370.2452 746787.2 767
+  395.2294 46225.8 47
+  426.2716 207783.4 213
+  452.2506 85148.3 87
+  526.3352 648496.8 666
+  582.3613 466683.8 479
+//
diff --git a/Eawag/MSBNK-MLU-ED234101.txt b/Eawag/MSBNK-MLU-ED234101.txt
new file mode 100644
index 0000000000..2139a5243b
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED234101.txt
@@ -0,0 +1,83 @@
+ACCESSION: MSBNK-MLU-ED234101
+RECORD_TITLE: Insulapeptolide E; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], C. Mehner [dtc], G. M. Koenig  [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2341
+CH$NAME: Insulapeptolide E
+CH$NAME: (S)-N-((S)-1-(((1S,2S,5S,8S,11R,12S,15S,18S,21R)-8-((R)-sec-butyl)-21-hydroxy-5-(4-hydroxybenzyl)-2-((R)-1-hydroxyethyl)-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-15-phenethyl-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-hydroxy-1-oxopropan-2-yl)-1-butyrylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C51H72N8O14
+CH$EXACT_MASS: 1020.516799
+CH$SMILES: CCCC(N1[C@H](C(N[C@H](C(N[C@@H]([C@H](OC([C@H]([C@H](C)CC)N2)=O)C)C(N[C@@H](CCC3=CC=CC=C3)C(N[C@@H]4C([N@@]([C@H](C(N(C)[C@H](C2=O)CC5=CC=C(O)C=C5)=O)[C@@H](C)O)[C@H](O)CC4)=O)=O)=O)=O)CO)=O)CCC1)=O
+CH$IUPAC: InChI=1S/C51H72N8O14/c1-7-13-39(63)58-25-12-16-37(58)46(67)54-36(27-60)45(66)56-42-30(5)73-51(72)41(28(3)8-2)55-47(68)38(26-32-17-20-33(62)21-18-32)57(6)50(71)43(29(4)61)59-40(64)24-23-35(49(59)70)53-44(65)34(52-48(42)69)22-19-31-14-10-9-11-15-31/h9-11,14-15,17-18,20-21,28-30,34-38,40-43,60-62,64H,7-8,12-13,16,19,22-27H2,1-6H3,(H,52,69)(H,53,65)(H,54,67)(H,55,68)(H,56,66)/t28-,29-,30-,34+,35+,36+,37+,38+,40-,41+,42+,43+/m1/s1
+CH$LINK: INCHIKEY NCTMHAKMWCIMCA-KPQXWPPMSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 70-1060
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.793 min
+MS$FOCUSED_ION: BASE_PEAK 1003.5139
+MS$FOCUSED_ION: PRECURSOR_M/Z 1021.5241
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 203095728.06
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0f72-8103911234-f7cd36d567ed2626d813
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  140.1065 C8H14NO+ 1 140.107 -3.52
+  168.1016 C9H14NO2+ 1 168.1019 -1.87
+  338.1717 C2H26N8O11+ 5 338.1716 0.52
+  374.1721 C20H20N7O+ 6 374.1724 -0.66
+  471.2601 C25H35N4O5+ 7 471.2602 -0.27
+  481.2449 C26H33N4O5+ 7 481.2445 0.72
+  499.2551 C26H35N4O6+ 6 499.2551 -0.02
+  517.2658 C38H33N2+ 8 517.2638 3.88
+  535.255 C29H35N4O6+ 7 535.2551 -0.24
+  553.2663 C29H37N4O7+ 8 553.2657 1.07
+  648.3426 C38H44N6O4+ 8 648.3419 1.09
+  654.3117 C35H46N2O10+ 10 654.3147 -4.51
+  666.3497 C35H48N5O8+ 9 666.3497 -0.04
+  731.376 C39H51N6O8+ 9 731.3763 -0.36
+  749.387 C39H53N6O9+ 9 749.3869 0.13
+  872.4194 C45H58N7O11+ 6 872.4189 0.62
+  890.4296 C45H60N7O12+ 5 890.4294 0.13
+  967.4935 C51H67N8O11+ 2 967.4924 1.17
+  975.5179 C50H71N8O12+ 1 975.5186 -0.68
+  985.5029 C51H69N8O12+ 1 985.5029 -0.08
+  1003.5136 C51H71N8O13+ 1 1003.5135 0.05
+PK$NUM_PEAK: 21
+PK$PEAK: m/z int. rel.int.
+  140.1065 1151629.5 43
+  168.1016 2970122 112
+  338.1717 7055057.5 266
+  374.1721 5024770 189
+  471.2601 572508.6 21
+  481.2449 1055194.2 39
+  499.2551 26444804 999
+  517.2658 1752092 66
+  535.255 1746570 65
+  553.2663 806676.1 30
+  648.3426 435978.3 16
+  654.3117 322095 12
+  666.3497 3901967 147
+  731.376 1407228.1 53
+  749.387 7713811.5 291
+  872.4194 2935780.2 110
+  890.4296 9052022 341
+  967.4935 934634.8 35
+  975.5179 1164302.9 43
+  985.5029 13131028 496
+  1003.5136 25931042 979
+//
diff --git a/Eawag/MSBNK-MLU-ED234102.txt b/Eawag/MSBNK-MLU-ED234102.txt
new file mode 100644
index 0000000000..1737520eec
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED234102.txt
@@ -0,0 +1,113 @@
+ACCESSION: MSBNK-MLU-ED234102
+RECORD_TITLE: Insulapeptolide E; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], C. Mehner [dtc], G. M. Koenig  [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2341
+CH$NAME: Insulapeptolide E
+CH$NAME: (S)-N-((S)-1-(((1S,2S,5S,8S,11R,12S,15S,18S,21R)-8-((R)-sec-butyl)-21-hydroxy-5-(4-hydroxybenzyl)-2-((R)-1-hydroxyethyl)-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-15-phenethyl-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-hydroxy-1-oxopropan-2-yl)-1-butyrylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C51H72N8O14
+CH$EXACT_MASS: 1020.516799
+CH$SMILES: CCCC(N1[C@H](C(N[C@H](C(N[C@@H]([C@H](OC([C@H]([C@H](C)CC)N2)=O)C)C(N[C@@H](CCC3=CC=CC=C3)C(N[C@@H]4C([N@@]([C@H](C(N(C)[C@H](C2=O)CC5=CC=C(O)C=C5)=O)[C@@H](C)O)[C@H](O)CC4)=O)=O)=O)=O)CO)=O)CCC1)=O
+CH$IUPAC: InChI=1S/C51H72N8O14/c1-7-13-39(63)58-25-12-16-37(58)46(67)54-36(27-60)45(66)56-42-30(5)73-51(72)41(28(3)8-2)55-47(68)38(26-32-17-20-33(62)21-18-32)57(6)50(71)43(29(4)61)59-40(64)24-23-35(49(59)70)53-44(65)34(52-48(42)69)22-19-31-14-10-9-11-15-31/h9-11,14-15,17-18,20-21,28-30,34-38,40-43,60-62,64H,7-8,12-13,16,19,22-27H2,1-6H3,(H,52,69)(H,53,65)(H,54,67)(H,55,68)(H,56,66)/t28-,29-,30-,34+,35+,36+,37+,38+,40-,41+,42+,43+/m1/s1
+CH$LINK: INCHIKEY NCTMHAKMWCIMCA-KPQXWPPMSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 70-1060
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.793 min
+MS$FOCUSED_ION: BASE_PEAK 1003.5139
+MS$FOCUSED_ION: PRECURSOR_M/Z 1021.5241
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 203095728.06
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0079-0209310121-b22a28996592140ba2f5
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  134.0958 C9H12N+ 1 134.0964 -4.48
+  140.1068 C8H14NO+ 1 140.107 -1.56
+  150.091 C9H12NO+ 1 150.0913 -2.1
+  168.1018 C9H14NO2+ 1 168.1019 -0.78
+  197.0912 C9H13N2O3+ 2 197.0921 -4.61
+  255.1338 C12H19N2O4+ 2 255.1339 -0.33
+  309.1816 C2H27N7O10+ 5 309.1814 0.67
+  320.1611 C2H24N8O10+ 6 320.161 0.22
+  330.1449 C17H20N3O4+ 6 330.1448 0.14
+  338.1718 C2H26N8O11+ 5 338.1716 0.7
+  346.1769 C4H26N8O10+ 6 346.1766 0.63
+  374.1723 C20H20N7O+ 6 374.1724 -0.25
+  392.182 C5H28N8O12+ 6 392.1821 -0.26
+  462.2386 C27H32N3O4+ 8 462.2387 -0.23
+  481.2445 C26H33N4O5+ 7 481.2445 -0.16
+  487.2561 C26H31N8O2+ 8 487.2564 -0.69
+  499.2552 C26H35N4O6+ 6 499.2551 0.11
+  507.2604 C28H35N4O5+ 8 507.2602 0.48
+  517.2654 C38H33N2+ 8 517.2638 3.05
+  535.2549 C29H35N4O6+ 7 535.2551 -0.47
+  553.2657 C29H37N4O7+ 9 553.2657 -0.03
+  648.3429 C38H44N6O4+ 9 648.3419 1.56
+  654.3139 C35H46N2O10+ 9 654.3147 -1.16
+  666.3501 C35H48N5O8+ 8 666.3497 0.6
+  677.3288 C49H43NO2+ 10 677.3288 -0.08
+  731.3761 C39H51N6O8+ 9 731.3763 -0.2
+  749.3872 C39H53N6O9+ 10 749.3869 0.46
+  808.4037 C46H56N4O9+ 8 808.4042 -0.6
+  854.4088 C45H56N7O10+ 7 854.4083 0.55
+  862.4319 C41H62N6O14+ 4 862.4319 0.01
+  872.4189 C45H58N7O11+ 6 872.4189 -0.01
+  890.4293 C45H60N7O12+ 5 890.4294 -0.14
+  967.4922 C51H67N8O11+ 2 967.4924 -0.15
+  975.5176 C50H71N8O12+ 1 975.5186 -0.99
+  985.5023 C51H69N8O12+ 1 985.5029 -0.7
+  1003.5126 C51H71N8O13+ 1 1003.5135 -0.92
+PK$NUM_PEAK: 36
+PK$PEAK: m/z int. rel.int.
+  134.0958 365373.9 18
+  140.1068 4555296.5 229
+  150.091 1195585.4 60
+  168.1018 8021720 404
+  197.0912 452680.8 22
+  255.1338 492361 24
+  309.1816 519859.1 26
+  320.1611 11779430 594
+  330.1449 281886.1 14
+  338.1718 19803154 999
+  346.1769 500945.9 25
+  374.1723 11265020 568
+  392.182 378568.2 19
+  462.2386 229558.7 11
+  481.2445 3408258 171
+  487.2561 741761.3 37
+  499.2552 13064539 659
+  507.2604 625211.4 31
+  517.2654 1050902 53
+  535.2549 4873261 245
+  553.2657 2410158.5 121
+  648.3429 555204.3 28
+  654.3139 1105826.9 55
+  666.3501 1653978.9 83
+  677.3288 225602.6 11
+  731.3761 4311007.5 217
+  749.3872 3824030.8 192
+  808.4037 257395.1 12
+  854.4088 4209440.5 212
+  862.4319 378197.7 19
+  872.4189 3775822 190
+  890.4293 4283657 216
+  967.4922 746393.6 37
+  975.5176 1085673.6 54
+  985.5023 5083809.5 256
+  1003.5126 2642433.5 133
+//
diff --git a/Eawag/MSBNK-MLU-ED234103.txt b/Eawag/MSBNK-MLU-ED234103.txt
new file mode 100644
index 0000000000..9da7073d72
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED234103.txt
@@ -0,0 +1,111 @@
+ACCESSION: MSBNK-MLU-ED234103
+RECORD_TITLE: Insulapeptolide E; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], C. Mehner [dtc], G. M. Koenig  [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2341
+CH$NAME: Insulapeptolide E
+CH$NAME: (S)-N-((S)-1-(((1S,2S,5S,8S,11R,12S,15S,18S,21R)-8-((R)-sec-butyl)-21-hydroxy-5-(4-hydroxybenzyl)-2-((R)-1-hydroxyethyl)-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-15-phenethyl-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-hydroxy-1-oxopropan-2-yl)-1-butyrylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C51H72N8O14
+CH$EXACT_MASS: 1020.516799
+CH$SMILES: CCCC(N1[C@H](C(N[C@H](C(N[C@@H]([C@H](OC([C@H]([C@H](C)CC)N2)=O)C)C(N[C@@H](CCC3=CC=CC=C3)C(N[C@@H]4C([N@@]([C@H](C(N(C)[C@H](C2=O)CC5=CC=C(O)C=C5)=O)[C@@H](C)O)[C@H](O)CC4)=O)=O)=O)=O)CO)=O)CCC1)=O
+CH$IUPAC: InChI=1S/C51H72N8O14/c1-7-13-39(63)58-25-12-16-37(58)46(67)54-36(27-60)45(66)56-42-30(5)73-51(72)41(28(3)8-2)55-47(68)38(26-32-17-20-33(62)21-18-32)57(6)50(71)43(29(4)61)59-40(64)24-23-35(49(59)70)53-44(65)34(52-48(42)69)22-19-31-14-10-9-11-15-31/h9-11,14-15,17-18,20-21,28-30,34-38,40-43,60-62,64H,7-8,12-13,16,19,22-27H2,1-6H3,(H,52,69)(H,53,65)(H,54,67)(H,55,68)(H,56,66)/t28-,29-,30-,34+,35+,36+,37+,38+,40-,41+,42+,43+/m1/s1
+CH$LINK: INCHIKEY NCTMHAKMWCIMCA-KPQXWPPMSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 70-1060
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.793 min
+MS$FOCUSED_ION: BASE_PEAK 1003.5139
+MS$FOCUSED_ION: PRECURSOR_M/Z 1021.5241
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 203095728.06
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00di-0609100000-061125d4bd4984339244
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  71.0491 C4H7O+ 1 71.0491 -0.14
+  134.0963 C9H12N+ 1 134.0964 -1.06
+  140.1069 C8H14NO+ 1 140.107 -0.9
+  150.0912 C9H12NO+ 1 150.0913 -0.68
+  168.1018 C9H14NO2+ 1 168.1019 -0.42
+  169.0968 C8H13N2O2+ 1 169.0972 -2.09
+  179.0811 C9H11N2O2+ 2 179.0815 -2.52
+  196.0967 C10H14NO3+ 1 196.0968 -0.37
+  197.0919 C9H13N2O3+ 1 197.0921 -0.89
+  237.1229 C12H17N2O3+ 2 237.1234 -1.8
+  251.139 C13H19N2O3+ 2 251.139 0.02
+  255.1333 C12H19N2O4+ 2 255.1339 -2.36
+  309.1815 C2H27N7O10+ 5 309.1814 0.37
+  310.1761 C15H24N3O4+ 6 310.1761 -0.24
+  320.1611 C2H24N8O10+ 6 320.161 0.31
+  338.1719 C2H26N8O11+ 5 338.1716 0.88
+  346.1769 C4H26N8O10+ 6 346.1766 0.72
+  374.1723 C20H20N7O+ 6 374.1724 -0.25
+  376.1873 C5H28N8O11+ 5 376.1872 0.36
+  392.1821 C5H28N8O12+ 6 392.1821 -0.1
+  453.2498 C25H33N4O4+ 7 453.2496 0.39
+  471.2612 C25H35N4O5+ 8 471.2602 2.13
+  481.2445 C26H33N4O5+ 7 481.2445 -0.1
+  487.2559 C26H31N8O2+ 7 487.2564 -1.19
+  490.234 C14H34N8O11+ 7 490.2342 -0.3
+  499.2552 C26H35N4O6+ 6 499.2551 0.23
+  507.2598 C28H35N4O5+ 8 507.2602 -0.85
+  535.2549 C29H35N4O6+ 7 535.2551 -0.47
+  659.3168 C35H43N6O7+ 9 659.3188 -2.98
+  677.3287 C49H43NO2+ 10 677.3288 -0.17
+  731.3763 C39H51N6O8+ 9 731.3763 -0.03
+  854.409 C45H56N7O10+ 7 854.4083 0.77
+  862.4324 C41H62N6O14+ 4 862.4319 0.58
+  872.4192 C45H58N7O11+ 6 872.4189 0.41
+  985.504 C51H69N8O12+ 1 985.5029 1.1
+PK$NUM_PEAK: 35
+PK$PEAK: m/z int. rel.int.
+  71.0491 240950.3 10
+  134.0963 791368.1 33
+  140.1069 11174383 472
+  150.0912 6670802 282
+  168.1018 17784918 752
+  169.0968 376055 15
+  179.0811 1030053.4 43
+  196.0967 472622.3 20
+  197.0919 2469177 104
+  237.1229 460132.7 19
+  251.139 268037.2 11
+  255.1333 703083.9 29
+  309.1815 1182070.6 50
+  310.1761 238422.8 10
+  320.1611 23607406 999
+  338.1719 13573643 574
+  346.1769 1439800.8 60
+  374.1723 11981375 507
+  376.1873 441148.7 18
+  392.1821 801585.6 33
+  453.2498 3194140.8 135
+  471.2612 254720.5 10
+  481.2445 2838258 120
+  487.2559 280563.6 11
+  490.234 1737492.4 73
+  499.2552 3054363.2 129
+  507.2598 1898291.6 80
+  535.2549 3583729.5 151
+  659.3168 636275.9 26
+  677.3287 539352 22
+  731.3763 3673998 155
+  854.409 1290344.2 54
+  862.4324 334970.8 14
+  872.4192 1049788.1 44
+  985.504 749754.3 31
+//
diff --git a/Eawag/MSBNK-MLU-ED234104.txt b/Eawag/MSBNK-MLU-ED234104.txt
new file mode 100644
index 0000000000..5d8010645b
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED234104.txt
@@ -0,0 +1,113 @@
+ACCESSION: MSBNK-MLU-ED234104
+RECORD_TITLE: Insulapeptolide E; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], C. Mehner [dtc], G. M. Koenig  [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2341
+CH$NAME: Insulapeptolide E
+CH$NAME: (S)-N-((S)-1-(((1S,2S,5S,8S,11R,12S,15S,18S,21R)-8-((R)-sec-butyl)-21-hydroxy-5-(4-hydroxybenzyl)-2-((R)-1-hydroxyethyl)-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-15-phenethyl-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-hydroxy-1-oxopropan-2-yl)-1-butyrylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C51H72N8O14
+CH$EXACT_MASS: 1020.516799
+CH$SMILES: CCCC(N1[C@H](C(N[C@H](C(N[C@@H]([C@H](OC([C@H]([C@H](C)CC)N2)=O)C)C(N[C@@H](CCC3=CC=CC=C3)C(N[C@@H]4C([N@@]([C@H](C(N(C)[C@H](C2=O)CC5=CC=C(O)C=C5)=O)[C@@H](C)O)[C@H](O)CC4)=O)=O)=O)=O)CO)=O)CCC1)=O
+CH$IUPAC: InChI=1S/C51H72N8O14/c1-7-13-39(63)58-25-12-16-37(58)46(67)54-36(27-60)45(66)56-42-30(5)73-51(72)41(28(3)8-2)55-47(68)38(26-32-17-20-33(62)21-18-32)57(6)50(71)43(29(4)61)59-40(64)24-23-35(49(59)70)53-44(65)34(52-48(42)69)22-19-31-14-10-9-11-15-31/h9-11,14-15,17-18,20-21,28-30,34-38,40-43,60-62,64H,7-8,12-13,16,19,22-27H2,1-6H3,(H,52,69)(H,53,65)(H,54,67)(H,55,68)(H,56,66)/t28-,29-,30-,34+,35+,36+,37+,38+,40-,41+,42+,43+/m1/s1
+CH$LINK: INCHIKEY NCTMHAKMWCIMCA-KPQXWPPMSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 70-1060
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.793 min
+MS$FOCUSED_ION: BASE_PEAK 1003.5139
+MS$FOCUSED_ION: PRECURSOR_M/Z 1021.5241
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 203095728.06
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0gi3-0903000000-39c4acc7e2906f393e45
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  134.0965 C9H12N+ 1 134.0964 0.3
+  136.0391 C7H6NO2+ 1 136.0393 -1.21
+  140.1069 C8H14NO+ 1 140.107 -0.57
+  141.1021 C7H13N2O+ 1 141.1022 -0.88
+  150.0913 C9H12NO+ 1 150.0913 -0.17
+  151.0863 C8H11N2O+ 1 151.0866 -1.66
+  153.0657 C7H9N2O2+ 1 153.0659 -1.25
+  168.1019 C9H14NO2+ 1 168.1019 -0.33
+  169.097 C8H13N2O2+ 1 169.0972 -1.19
+  179.0813 C9H11N2O2+ 1 179.0815 -0.98
+  196.0969 C10H14NO3+ 1 196.0968 0.49
+  197.0919 C9H13N2O3+ 1 197.0921 -0.97
+  217.1332 C13H17N2O+ 3 217.1335 -1.59
+  237.123 C12H17N2O3+ 2 237.1234 -1.41
+  245.128 C14H17N2O2+ 4 245.1285 -1.9
+  251.1391 C13H19N2O3+ 2 251.139 0.39
+  255.1336 C12H19N2O4+ 2 255.1339 -1.35
+  285.1592 C2H27N3O12+ 5 285.1589 0.98
+  302.1508 C3H28NO14+ 5 302.1504 1.23
+  309.1812 C2H27N7O10+ 5 309.1814 -0.51
+  310.1762 C15H24N3O4+ 6 310.1761 0.35
+  314.1508 C4H28NO14+ 5 314.1504 1.32
+  320.1611 C2H24N8O10+ 6 320.161 0.41
+  330.1449 C17H20N3O4+ 6 330.1448 0.23
+  338.1719 C2H26N8O11+ 5 338.1716 0.97
+  340.1661 C6H30NO14+ 6 340.1661 0.19
+  356.1591 C17H20N6O3+ 5 356.1591 -0.18
+  376.1872 C5H28N8O11+ 6 376.1872 0.04
+  453.2499 C25H33N4O4+ 7 453.2496 0.52
+  462.2385 C27H32N3O4+ 8 462.2387 -0.56
+  481.2452 C26H33N4O5+ 7 481.2445 1.36
+  490.234 C14H34N8O11+ 7 490.2342 -0.24
+  499.2557 C26H35N4O6+ 7 499.2551 1.21
+  507.2597 C28H35N4O5+ 8 507.2602 -0.91
+  535.2553 C29H35N4O6+ 7 535.2551 0.33
+  659.3216 C35H43N6O7+ 9 659.3188 4.24
+PK$NUM_PEAK: 36
+PK$PEAK: m/z int. rel.int.
+  134.0965 1506755.8 56
+  136.0391 325285.3 12
+  140.1069 19089322 710
+  141.1021 362160 13
+  150.0913 15846402 589
+  151.0863 334185.1 12
+  153.0657 517861 19
+  168.1019 26851444 999
+  169.097 1728343.8 64
+  179.0813 2496479.2 92
+  196.0969 748454.6 27
+  197.0919 5829900 216
+  217.1332 323383.8 12
+  237.123 1314940.6 48
+  245.128 365130.9 13
+  251.1391 579783.4 21
+  255.1336 819774.6 30
+  285.1592 352942.2 13
+  302.1508 409889 15
+  309.1812 1184294.6 44
+  310.1762 706553.1 26
+  314.1508 628177.5 23
+  320.1611 19357566 720
+  330.1449 892327.9 33
+  338.1719 6021102.5 224
+  340.1661 581331.1 21
+  356.1591 2995401.8 111
+  376.1872 382912.5 14
+  453.2499 3611537 134
+  462.2385 1009512.2 37
+  481.2452 977894.2 36
+  490.234 964794.4 35
+  499.2557 833001.4 30
+  507.2597 1074907.6 39
+  535.2553 933901.9 34
+  659.3216 490101.5 18
+//
diff --git a/Eawag/MSBNK-MLU-ED234105.txt b/Eawag/MSBNK-MLU-ED234105.txt
new file mode 100644
index 0000000000..6252ea9cf8
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED234105.txt
@@ -0,0 +1,117 @@
+ACCESSION: MSBNK-MLU-ED234105
+RECORD_TITLE: Insulapeptolide E; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], C. Mehner [dtc], G. M. Koenig  [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2341
+CH$NAME: Insulapeptolide E
+CH$NAME: (S)-N-((S)-1-(((1S,2S,5S,8S,11R,12S,15S,18S,21R)-8-((R)-sec-butyl)-21-hydroxy-5-(4-hydroxybenzyl)-2-((R)-1-hydroxyethyl)-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-15-phenethyl-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-hydroxy-1-oxopropan-2-yl)-1-butyrylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C51H72N8O14
+CH$EXACT_MASS: 1020.516799
+CH$SMILES: CCCC(N1[C@H](C(N[C@H](C(N[C@@H]([C@H](OC([C@H]([C@H](C)CC)N2)=O)C)C(N[C@@H](CCC3=CC=CC=C3)C(N[C@@H]4C([N@@]([C@H](C(N(C)[C@H](C2=O)CC5=CC=C(O)C=C5)=O)[C@@H](C)O)[C@H](O)CC4)=O)=O)=O)=O)CO)=O)CCC1)=O
+CH$IUPAC: InChI=1S/C51H72N8O14/c1-7-13-39(63)58-25-12-16-37(58)46(67)54-36(27-60)45(66)56-42-30(5)73-51(72)41(28(3)8-2)55-47(68)38(26-32-17-20-33(62)21-18-32)57(6)50(71)43(29(4)61)59-40(64)24-23-35(49(59)70)53-44(65)34(52-48(42)69)22-19-31-14-10-9-11-15-31/h9-11,14-15,17-18,20-21,28-30,34-38,40-43,60-62,64H,7-8,12-13,16,19,22-27H2,1-6H3,(H,52,69)(H,53,65)(H,54,67)(H,55,68)(H,56,66)/t28-,29-,30-,34+,35+,36+,37+,38+,40-,41+,42+,43+/m1/s1
+CH$LINK: INCHIKEY NCTMHAKMWCIMCA-KPQXWPPMSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 70-1060
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.793 min
+MS$FOCUSED_ION: BASE_PEAK 1003.5139
+MS$FOCUSED_ION: PRECURSOR_M/Z 1021.5241
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 203095728.06
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0fr6-0900000000-bbd85d2bfd5d505606a3
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  74.0601 C3H8NO+ 1 74.06 0.44
+  80.0494 C5H6N+ 1 80.0495 -0.69
+  84.0444 C4H6NO+ 1 84.0444 0.3
+  91.0541 C7H7+ 1 91.0542 -1.34
+  117.0699 C9H9+ 1 117.0699 0.17
+  124.0757 C7H10NO+ 1 124.0757 0.28
+  125.0709 C6H9N2O+ 1 125.0709 -0.41
+  126.0913 C7H12NO+ 1 126.0913 -0.29
+  134.0964 C9H12N+ 1 134.0964 -0.15
+  136.0393 C7H6NO2+ 1 136.0393 0.14
+  140.1069 C8H14NO+ 1 140.107 -0.57
+  141.1021 C7H13N2O+ 1 141.1022 -1.09
+  150.0913 C9H12NO+ 1 150.0913 -0.38
+  151.0865 C8H11N2O+ 1 151.0866 -0.35
+  153.0658 C7H9N2O2+ 1 153.0659 -0.36
+  162.0548 C9H8NO2+ 1 162.055 -0.69
+  167.0813 C8H11N2O2+ 1 167.0815 -0.98
+  168.1018 C9H14NO2+ 1 168.1019 -0.42
+  169.097 C8H13N2O2+ 1 169.0972 -0.74
+  179.0814 C9H11N2O2+ 1 179.0815 -0.73
+  196.0966 C10H14NO3+ 1 196.0968 -1.07
+  197.0919 C9H13N2O3+ 1 197.0921 -0.97
+  209.1284 C11H17N2O2+ 1 209.1285 -0.25
+  216.1017 C13H14NO2+ 1 216.1019 -1
+  217.1334 C13H17N2O+ 2 217.1335 -0.46
+  237.1231 C12H17N2O3+ 2 237.1234 -1.28
+  250.1187 C12H16N3O3+ 2 250.1186 0.53
+  251.1386 C13H19N2O3+ 3 251.139 -1.56
+  285.1589 C2H27N3O12+ 6 285.1589 -0.2
+  302.1508 C3H28NO14+ 5 302.1504 1.33
+  313.1547 C18H21N2O3+ 5 313.1547 0.22
+  314.1505 C4H28NO14+ 6 314.1504 0.25
+  320.161 C2H24N8O10+ 6 320.161 0.12
+  338.1717 C2H26N8O11+ 5 338.1716 0.43
+  340.1665 C6H30NO14+ 5 340.1661 1.09
+  356.16 C17H20N6O3+ 5 356.1591 2.3
+  374.1722 C20H20N7O+ 6 374.1724 -0.42
+  453.2494 C25H33N4O4+ 8 453.2496 -0.56
+PK$NUM_PEAK: 38
+PK$PEAK: m/z int. rel.int.
+  74.0601 1121589 36
+  80.0494 433932 13
+  84.0444 484806.2 15
+  91.0541 950973.5 30
+  117.0699 943834.9 30
+  124.0757 876578.2 28
+  125.0709 330593.3 10
+  126.0913 782061 25
+  134.0964 3510135.2 112
+  136.0393 1120207.9 35
+  140.1069 31104238 999
+  141.1021 1687958.6 54
+  150.0913 23878744 766
+  151.0865 2609632.2 83
+  153.0658 1181373.5 37
+  162.0548 378335.4 12
+  167.0813 328064.5 10
+  168.1018 20644886 663
+  169.097 7450589 239
+  179.0814 5487952.5 176
+  196.0966 715939.8 22
+  197.0919 6817826 218
+  209.1284 914741.5 29
+  216.1017 1712882.1 55
+  217.1334 416408 13
+  237.1231 2870598.8 92
+  250.1187 542959.4 17
+  251.1386 603128.4 19
+  285.1589 638767.1 20
+  302.1508 460786.6 14
+  313.1547 919366.4 29
+  314.1505 663431.8 21
+  320.161 4162439 133
+  338.1717 793361 25
+  340.1665 424790.9 13
+  356.16 581070.2 18
+  374.1722 718488.4 23
+  453.2494 578010.8 18
+//
diff --git a/Eawag/MSBNK-MLU-ED234106.txt b/Eawag/MSBNK-MLU-ED234106.txt
new file mode 100644
index 0000000000..7f7b0fa15a
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED234106.txt
@@ -0,0 +1,135 @@
+ACCESSION: MSBNK-MLU-ED234106
+RECORD_TITLE: Insulapeptolide E; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], C. Mehner [dtc], G. M. Koenig  [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2341
+CH$NAME: Insulapeptolide E
+CH$NAME: (S)-N-((S)-1-(((1S,2S,5S,8S,11R,12S,15S,18S,21R)-8-((R)-sec-butyl)-21-hydroxy-5-(4-hydroxybenzyl)-2-((R)-1-hydroxyethyl)-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-15-phenethyl-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-hydroxy-1-oxopropan-2-yl)-1-butyrylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C51H72N8O14
+CH$EXACT_MASS: 1020.516799
+CH$SMILES: CCCC(N1[C@H](C(N[C@H](C(N[C@@H]([C@H](OC([C@H]([C@H](C)CC)N2)=O)C)C(N[C@@H](CCC3=CC=CC=C3)C(N[C@@H]4C([N@@]([C@H](C(N(C)[C@H](C2=O)CC5=CC=C(O)C=C5)=O)[C@@H](C)O)[C@H](O)CC4)=O)=O)=O)=O)CO)=O)CCC1)=O
+CH$IUPAC: InChI=1S/C51H72N8O14/c1-7-13-39(63)58-25-12-16-37(58)46(67)54-36(27-60)45(66)56-42-30(5)73-51(72)41(28(3)8-2)55-47(68)38(26-32-17-20-33(62)21-18-32)57(6)50(71)43(29(4)61)59-40(64)24-23-35(49(59)70)53-44(65)34(52-48(42)69)22-19-31-14-10-9-11-15-31/h9-11,14-15,17-18,20-21,28-30,34-38,40-43,60-62,64H,7-8,12-13,16,19,22-27H2,1-6H3,(H,52,69)(H,53,65)(H,54,67)(H,55,68)(H,56,66)/t28-,29-,30-,34+,35+,36+,37+,38+,40-,41+,42+,43+/m1/s1
+CH$LINK: INCHIKEY NCTMHAKMWCIMCA-KPQXWPPMSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 70-1060
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.793 min
+MS$FOCUSED_ION: BASE_PEAK 1003.5139
+MS$FOCUSED_ION: PRECURSOR_M/Z 1021.5241
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 203095728.06
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0f6x-1900000000-e1d9fae344fd27ad2486
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  71.0489 C4H7O+ 1 71.0491 -3.36
+  74.0601 C3H8NO+ 1 74.06 0.23
+  80.0494 C5H6N+ 1 80.0495 -0.41
+  82.0651 C5H8N+ 1 82.0651 -0.66
+  84.0444 C4H6NO+ 1 84.0444 -0.16
+  86.0964 C5H12N+ 1 86.0964 -0.58
+  91.0542 C7H7+ 1 91.0542 -0.75
+  96.0808 C6H10N+ 1 96.0808 0.59
+  97.0761 C5H9N2+ 1 97.076 0.89
+  98.0599 C5H8NO+ 1 98.06 -1.44
+  106.065 C7H8N+ 1 106.0651 -1.29
+  107.0493 C7H7O+ 1 107.0491 1.6
+  108.0809 C7H10N+ 1 108.0808 1.36
+  112.0392 C5H6NO2+ 1 112.0393 -0.92
+  117.0699 C9H9+ 1 117.0699 0.36
+  119.0492 C8H7O+ 1 119.0491 0.5
+  121.0647 C8H9O+ 1 121.0648 -0.45
+  123.0917 C7H11N2+ 1 123.0917 -0.16
+  124.0757 C7H10NO+ 1 124.0757 0.21
+  125.071 C6H9N2O+ 1 125.0709 0.2
+  126.0913 C7H12NO+ 1 126.0913 -0.41
+  134.0603 C8H8NO+ 1 134.06 2.3
+  134.0964 C9H12N+ 1 134.0964 -0.38
+  135.0678 C8H9NO+ 1 135.0679 -0.51
+  136.0392 C7H6NO2+ 1 136.0393 -0.65
+  139.0864 C7H11N2O+ 1 139.0866 -1.65
+  140.1069 C8H14NO+ 1 140.107 -0.79
+  141.1021 C7H13N2O+ 1 141.1022 -0.98
+  150.0912 C9H12NO+ 1 150.0913 -0.68
+  151.0864 C8H11N2O+ 1 151.0866 -0.95
+  153.0657 C7H9N2O2+ 1 153.0659 -0.76
+  162.0549 C9H8NO2+ 1 162.055 -0.59
+  167.0814 C8H11N2O2+ 1 167.0815 -0.52
+  168.1018 C9H14NO2+ 1 168.1019 -0.69
+  169.097 C8H13N2O2+ 1 169.0972 -0.92
+  172.1119 C12H14N+ 1 172.1121 -1.26
+  179.0813 C9H11N2O2+ 1 179.0815 -1.24
+  184.1118 C13H14N+ 1 184.1121 -1.32
+  196.0964 C10H14NO3+ 2 196.0968 -2.16
+  197.0917 C9H13N2O3+ 1 197.0921 -1.74
+  209.1283 C11H17N2O2+ 1 209.1285 -0.76
+  216.1018 C13H14NO2+ 1 216.1019 -0.5
+  217.1326 C13H17N2O+ 2 217.1335 -4.26
+  237.1229 C12H17N2O3+ 2 237.1234 -1.8
+  245.1282 C14H17N2O2+ 4 245.1285 -1.21
+  250.1186 C12H16N3O3+ 1 250.1186 0.1
+  320.1609 C2H24N8O10+ 6 320.161 -0.35
+PK$NUM_PEAK: 47
+PK$PEAK: m/z int. rel.int.
+  71.0489 487162.4 26
+  74.0601 2104916.8 115
+  80.0494 1016834.9 55
+  82.0651 464351.8 25
+  84.0444 753477.9 41
+  86.0964 291992.9 16
+  91.0542 2111773.5 115
+  96.0808 520148.8 28
+  97.0761 395131.2 21
+  98.0599 297870.3 16
+  106.065 412803 22
+  107.0493 278603.1 15
+  108.0809 354248.1 19
+  112.0392 207197 11
+  117.0699 1780745 97
+  119.0492 324014.5 17
+  121.0647 401945.6 22
+  123.0917 1045836.2 57
+  124.0757 1723933.4 94
+  125.071 594655.5 32
+  126.0913 1030560.6 56
+  134.0603 341591 18
+  134.0964 2735974.8 150
+  135.0678 766374.2 42
+  136.0392 994254.5 54
+  139.0864 512082.5 28
+  140.1069 18190932 999
+  141.1021 2379415.8 130
+  150.0912 17451536 958
+  151.0864 4629071.5 254
+  153.0657 932963.5 51
+  162.0549 386686.2 21
+  167.0814 930055.6 51
+  168.1018 5295197 290
+  169.097 5857133.5 321
+  172.1119 193814 10
+  179.0813 3877951.5 212
+  184.1118 326250.8 17
+  196.0964 226366.2 12
+  197.0917 1647963.1 90
+  209.1283 952217.2 52
+  216.1018 1666004.2 91
+  217.1326 216719.4 11
+  237.1229 1817264.1 99
+  245.1282 195555.2 10
+  250.1186 270676.9 14
+  320.1609 415108.5 22
+//
diff --git a/Eawag/MSBNK-MLU-ED234107.txt b/Eawag/MSBNK-MLU-ED234107.txt
new file mode 100644
index 0000000000..24d5c95ce7
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED234107.txt
@@ -0,0 +1,143 @@
+ACCESSION: MSBNK-MLU-ED234107
+RECORD_TITLE: Insulapeptolide E; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], C. Mehner [dtc], G. M. Koenig  [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2341
+CH$NAME: Insulapeptolide E
+CH$NAME: (S)-N-((S)-1-(((1S,2S,5S,8S,11R,12S,15S,18S,21R)-8-((R)-sec-butyl)-21-hydroxy-5-(4-hydroxybenzyl)-2-((R)-1-hydroxyethyl)-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-15-phenethyl-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-hydroxy-1-oxopropan-2-yl)-1-butyrylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C51H72N8O14
+CH$EXACT_MASS: 1020.516799
+CH$SMILES: CCCC(N1[C@H](C(N[C@H](C(N[C@@H]([C@H](OC([C@H]([C@H](C)CC)N2)=O)C)C(N[C@@H](CCC3=CC=CC=C3)C(N[C@@H]4C([N@@]([C@H](C(N(C)[C@H](C2=O)CC5=CC=C(O)C=C5)=O)[C@@H](C)O)[C@H](O)CC4)=O)=O)=O)=O)CO)=O)CCC1)=O
+CH$IUPAC: InChI=1S/C51H72N8O14/c1-7-13-39(63)58-25-12-16-37(58)46(67)54-36(27-60)45(66)56-42-30(5)73-51(72)41(28(3)8-2)55-47(68)38(26-32-17-20-33(62)21-18-32)57(6)50(71)43(29(4)61)59-40(64)24-23-35(49(59)70)53-44(65)34(52-48(42)69)22-19-31-14-10-9-11-15-31/h9-11,14-15,17-18,20-21,28-30,34-38,40-43,60-62,64H,7-8,12-13,16,19,22-27H2,1-6H3,(H,52,69)(H,53,65)(H,54,67)(H,55,68)(H,56,66)/t28-,29-,30-,34+,35+,36+,37+,38+,40-,41+,42+,43+/m1/s1
+CH$LINK: INCHIKEY NCTMHAKMWCIMCA-KPQXWPPMSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 70-1060
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.793 min
+MS$FOCUSED_ION: BASE_PEAK 1003.5139
+MS$FOCUSED_ION: PRECURSOR_M/Z 1021.5241
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 203095728.06
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0udl-2900000000-0c1f4b8b7235fae5c3ba
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  71.0491 C4H7O+ 1 71.0491 -0.57
+  74.0601 C3H8NO+ 1 74.06 0.54
+  80.0495 C5H6N+ 1 80.0495 -0.21
+  82.0651 C5H8N+ 1 82.0651 -0.57
+  84.0444 C4H6NO+ 1 84.0444 -0.25
+  86.0602 C4H8NO+ 1 86.06 1.37
+  86.0964 C5H12N+ 1 86.0964 -0.49
+  91.0542 C7H7+ 1 91.0542 0
+  94.0649 C6H8N+ 1 94.0651 -1.94
+  96.0443 C5H6NO+ 1 96.0444 -1.07
+  96.0808 C6H10N+ 1 96.0808 0.04
+  97.0761 C5H9N2+ 1 97.076 0.65
+  98.0601 C5H8NO+ 1 98.06 0.43
+  106.0652 C7H8N+ 1 106.0651 0.29
+  107.0491 C7H7O+ 1 107.0491 -0.61
+  108.0441 C6H6NO+ 1 108.0444 -2.58
+  108.0808 C7H10N+ 1 108.0808 0.59
+  109.0649 C7H9O+ 1 109.0648 0.61
+  112.0393 C5H6NO2+ 1 112.0393 -0.24
+  117.0699 C9H9+ 1 117.0699 0.3
+  119.0493 C8H7O+ 1 119.0491 0.95
+  121.0649 C8H9O+ 1 121.0648 0.81
+  123.0918 C7H11N2+ 1 123.0917 0.83
+  124.0757 C7H10NO+ 1 124.0757 0.15
+  125.071 C6H9N2O+ 1 125.0709 0.68
+  126.0913 C7H12NO+ 1 126.0913 -0.11
+  132.0807 C9H10N+ 1 132.0808 -0.81
+  134.0603 C8H8NO+ 1 134.06 1.62
+  134.0964 C9H12N+ 1 134.0964 -0.15
+  135.0678 C8H9NO+ 1 135.0679 -0.73
+  136.0392 C7H6NO2+ 1 136.0393 -0.65
+  139.0865 C7H11N2O+ 1 139.0866 -0.67
+  140.1069 C8H14NO+ 1 140.107 -0.47
+  141.1022 C7H13N2O+ 1 141.1022 -0.34
+  148.0754 C9H10NO+ 1 148.0757 -2.25
+  149.0708 C8H9N2O+ 1 149.0709 -0.68
+  150.0913 C9H12NO+ 1 150.0913 -0.27
+  151.0865 C8H11N2O+ 1 151.0866 -0.55
+  153.0657 C7H9N2O2+ 1 153.0659 -0.76
+  162.0549 C9H8NO2+ 1 162.055 -0.59
+  167.0815 C8H11N2O2+ 1 167.0815 0.03
+  168.1018 C9H14NO2+ 1 168.1019 -0.51
+  169.0971 C8H13N2O2+ 1 169.0972 -0.56
+  174.0912 C11H12NO+ 1 174.0913 -0.92
+  179.0814 C9H11N2O2+ 1 179.0815 -0.81
+  184.1117 C13H14N+ 1 184.1121 -2.06
+  188.1066 C12H14NO+ 1 188.107 -1.96
+  197.0918 C9H13N2O3+ 1 197.0921 -1.2
+  209.128 C11H17N2O2+ 2 209.1285 -2
+  216.1015 C13H14NO2+ 2 216.1019 -1.7
+  237.1231 C12H17N2O3+ 2 237.1234 -1.28
+PK$NUM_PEAK: 51
+PK$PEAK: m/z int. rel.int.
+  71.0491 642269.1 46
+  74.0601 2952674.5 211
+  80.0495 1912439.6 137
+  82.0651 650807.5 46
+  84.0444 1205454.9 86
+  86.0602 211415.9 15
+  86.0964 279701 20
+  91.0542 4303968 308
+  94.0649 248210.5 17
+  96.0443 270654.2 19
+  96.0808 1087235.2 77
+  97.0761 679787.1 48
+  98.0601 235912.9 16
+  106.0652 623349.8 44
+  107.0491 514636.9 36
+  108.0441 269754.1 19
+  108.0808 504055.1 36
+  109.0649 187655.1 13
+  112.0393 235050.2 16
+  117.0699 2205880 158
+  119.0493 678713.3 48
+  121.0649 502977.8 36
+  123.0918 1742907.6 124
+  124.0757 2131559.5 152
+  125.071 649244.2 46
+  126.0913 937928.2 67
+  132.0807 201815 14
+  134.0603 636275.1 45
+  134.0964 2044173 146
+  135.0678 1457413 104
+  136.0392 772609.2 55
+  139.0865 594165 42
+  140.1069 8502384 609
+  141.1022 1711616.6 122
+  148.0754 175756.1 12
+  149.0708 155867.9 11
+  150.0913 13934982 999
+  151.0865 3948440.2 283
+  153.0657 653627.2 46
+  162.0549 392736.2 28
+  167.0815 897328.9 64
+  168.1018 1602653.5 114
+  169.0971 2675137.5 191
+  174.0912 208533.1 14
+  179.0814 1499343.2 107
+  184.1117 385712 27
+  188.1066 368234.5 26
+  197.0918 201203.5 14
+  209.128 396762.3 28
+  216.1015 1120201.1 80
+  237.1231 636160.2 45
+//
diff --git a/Eawag/MSBNK-MLU-ED234108.txt b/Eawag/MSBNK-MLU-ED234108.txt
new file mode 100644
index 0000000000..14f359c3e5
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED234108.txt
@@ -0,0 +1,161 @@
+ACCESSION: MSBNK-MLU-ED234108
+RECORD_TITLE: Insulapeptolide E; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], C. Mehner [dtc], G. M. Koenig  [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2341
+CH$NAME: Insulapeptolide E
+CH$NAME: (S)-N-((S)-1-(((1S,2S,5S,8S,11R,12S,15S,18S,21R)-8-((R)-sec-butyl)-21-hydroxy-5-(4-hydroxybenzyl)-2-((R)-1-hydroxyethyl)-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-15-phenethyl-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-hydroxy-1-oxopropan-2-yl)-1-butyrylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C51H72N8O14
+CH$EXACT_MASS: 1020.516799
+CH$SMILES: CCCC(N1[C@H](C(N[C@H](C(N[C@@H]([C@H](OC([C@H]([C@H](C)CC)N2)=O)C)C(N[C@@H](CCC3=CC=CC=C3)C(N[C@@H]4C([N@@]([C@H](C(N(C)[C@H](C2=O)CC5=CC=C(O)C=C5)=O)[C@@H](C)O)[C@H](O)CC4)=O)=O)=O)=O)CO)=O)CCC1)=O
+CH$IUPAC: InChI=1S/C51H72N8O14/c1-7-13-39(63)58-25-12-16-37(58)46(67)54-36(27-60)45(66)56-42-30(5)73-51(72)41(28(3)8-2)55-47(68)38(26-32-17-20-33(62)21-18-32)57(6)50(71)43(29(4)61)59-40(64)24-23-35(49(59)70)53-44(65)34(52-48(42)69)22-19-31-14-10-9-11-15-31/h9-11,14-15,17-18,20-21,28-30,34-38,40-43,60-62,64H,7-8,12-13,16,19,22-27H2,1-6H3,(H,52,69)(H,53,65)(H,54,67)(H,55,68)(H,56,66)/t28-,29-,30-,34+,35+,36+,37+,38+,40-,41+,42+,43+/m1/s1
+CH$LINK: INCHIKEY NCTMHAKMWCIMCA-KPQXWPPMSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 70-1060
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.793 min
+MS$FOCUSED_ION: BASE_PEAK 1003.5139
+MS$FOCUSED_ION: PRECURSOR_M/Z 1021.5241
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 203095728.06
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0udl-4900000000-8919ebe934aeca545b8f
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  71.0491 C4H7O+ 1 71.0491 0.07
+  74.0601 C3H8NO+ 1 74.06 0.54
+  79.0542 C6H7+ 1 79.0542 -0.39
+  80.0495 C5H6N+ 1 80.0495 -0.21
+  81.0573 C5H7N+ 1 81.0573 0.03
+  82.0652 C5H8N+ 1 82.0651 0.73
+  84.0444 C4H6NO+ 1 84.0444 0.11
+  84.068 C4H8N2+ 1 84.0682 -2.76
+  86.0967 C5H12N+ 1 86.0964 2.79
+  91.0542 C7H7+ 1 91.0542 -0.08
+  93.0699 C7H9+ 1 93.0699 0.15
+  94.0651 C6H8N+ 1 94.0651 0.09
+  96.0443 C5H6NO+ 1 96.0444 -0.43
+  96.0808 C6H10N+ 1 96.0808 0.12
+  97.0761 C5H9N2+ 1 97.076 0.49
+  98.06 C5H8NO+ 1 98.06 0.04
+  105.0698 C8H9+ 1 105.0699 -0.56
+  106.0651 C7H8N+ 1 106.0651 -0.14
+  107.0491 C7H7O+ 1 107.0491 -0.18
+  108.0445 C6H6NO+ 1 108.0444 0.59
+  108.0809 C7H10N+ 1 108.0808 1.01
+  109.0649 C7H9O+ 1 109.0648 1.38
+  111.0553 C5H7N2O+ 1 111.0553 -0.14
+  111.0916 C6H11N2+ 1 111.0917 -0.7
+  112.0394 C5H6NO2+ 1 112.0393 0.57
+  115.054 C9H7+ 1 115.0542 -1.59
+  117.0569 C8H7N+ 1 117.0573 -3.13
+  117.0699 C9H9+ 1 117.0699 -0.22
+  119.0491 C8H7O+ 1 119.0491 -0.01
+  121.0649 C8H9O+ 1 121.0648 0.62
+  123.0917 C7H11N2+ 1 123.0917 0.08
+  124.0757 C7H10NO+ 1 124.0757 0.21
+  125.0709 C6H9N2O+ 1 125.0709 -0.41
+  126.0913 C7H12NO+ 1 126.0913 -0.05
+  129.0697 C10H9+ 1 129.0699 -1.25
+  132.0807 C9H10N+ 1 132.0808 -0.81
+  133.0651 C9H9O+ 1 133.0648 2.6
+  134.0599 C8H8NO+ 1 134.06 -0.77
+  134.0964 C9H12N+ 1 134.0964 -0.5
+  135.0678 C8H9NO+ 1 135.0679 -0.62
+  136.0393 C7H6NO2+ 1 136.0393 -0.31
+  139.0866 C7H11N2O+ 1 139.0866 0.21
+  140.1069 C8H14NO+ 1 140.107 -0.68
+  141.1021 C7H13N2O+ 1 141.1022 -0.77
+  148.0758 C9H10NO+ 1 148.0757 0.53
+  149.0711 C8H9N2O+ 1 149.0709 1.37
+  150.0913 C9H12NO+ 1 150.0913 -0.48
+  151.0865 C8H11N2O+ 1 151.0866 -0.55
+  153.0658 C7H9N2O2+ 1 153.0659 -0.36
+  162.0547 C9H8NO2+ 1 162.055 -1.44
+  167.0816 C8H11N2O2+ 1 167.0815 0.85
+  168.1019 C9H14NO2+ 1 168.1019 -0.06
+  169.0971 C8H13N2O2+ 1 169.0972 -0.2
+  173.0838 C11H11NO+ 1 173.0835 1.63
+  174.0912 C11H12NO+ 1 174.0913 -0.65
+  179.0812 C9H11N2O2+ 1 179.0815 -1.66
+  184.1115 C13H14N+ 1 184.1121 -3.39
+  188.1067 C12H14NO+ 1 188.107 -1.8
+  209.1277 C11H17N2O2+ 2 209.1285 -3.75
+  216.1011 C13H14NO2+ 2 216.1019 -3.61
+PK$NUM_PEAK: 60
+PK$PEAK: m/z int. rel.int.
+  71.0491 805755.4 69
+  74.0601 3532407.8 304
+  79.0542 144859.7 12
+  80.0495 3247190.8 279
+  81.0573 117466.3 10
+  82.0652 901220.6 77
+  84.0444 1585299.8 136
+  84.068 117825.8 10
+  86.0967 266414.2 22
+  91.0542 7830755 674
+  93.0699 134234.7 11
+  94.0651 512549.2 44
+  96.0443 660722.9 56
+  96.0808 1905396.8 164
+  97.0761 668892.3 57
+  98.06 252773.2 21
+  105.0698 267242.6 23
+  106.0651 972546.4 83
+  107.0491 988914.3 85
+  108.0445 314598.2 27
+  108.0809 553314.2 47
+  109.0649 337115 29
+  111.0553 156044.1 13
+  111.0916 137620.6 11
+  112.0394 204359 17
+  115.054 195922.6 16
+  117.0569 155947.3 13
+  117.0699 2305010.2 198
+  119.0491 1177335.4 101
+  121.0649 950869.9 81
+  123.0917 1872118.8 161
+  124.0757 2869969 247
+  125.0709 599901.9 51
+  126.0913 932894.8 80
+  129.0697 116694.5 10
+  132.0807 306595.8 26
+  133.0651 116021.5 9
+  134.0599 1010649.2 87
+  134.0964 1151367 99
+  135.0678 2746785 236
+  136.0393 559528.4 48
+  139.0866 440062.7 37
+  140.1069 3480716.8 299
+  141.1021 1014014.5 87
+  148.0758 179403.9 15
+  149.0711 178930.8 15
+  150.0913 11598010 999
+  151.0865 2885076.5 248
+  153.0658 406228.9 34
+  162.0547 204088.8 17
+  167.0816 711359.4 61
+  168.1019 540660.4 46
+  169.0971 958605.2 82
+  173.0838 198443.3 17
+  174.0912 247644.7 21
+  179.0812 663755.1 57
+  184.1115 257914.3 22
+  188.1067 364398.8 31
+  209.1277 145773.5 12
+  216.1011 462928.8 39
+//
diff --git a/Eawag/MSBNK-MLU-ED234109.txt b/Eawag/MSBNK-MLU-ED234109.txt
new file mode 100644
index 0000000000..2d89d3cf49
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED234109.txt
@@ -0,0 +1,141 @@
+ACCESSION: MSBNK-MLU-ED234109
+RECORD_TITLE: Insulapeptolide E; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], C. Mehner [dtc], G. M. Koenig  [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2341
+CH$NAME: Insulapeptolide E
+CH$NAME: (S)-N-((S)-1-(((1S,2S,5S,8S,11R,12S,15S,18S,21R)-8-((R)-sec-butyl)-21-hydroxy-5-(4-hydroxybenzyl)-2-((R)-1-hydroxyethyl)-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-15-phenethyl-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-hydroxy-1-oxopropan-2-yl)-1-butyrylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C51H72N8O14
+CH$EXACT_MASS: 1020.516799
+CH$SMILES: CCCC(N1[C@H](C(N[C@H](C(N[C@@H]([C@H](OC([C@H]([C@H](C)CC)N2)=O)C)C(N[C@@H](CCC3=CC=CC=C3)C(N[C@@H]4C([N@@]([C@H](C(N(C)[C@H](C2=O)CC5=CC=C(O)C=C5)=O)[C@@H](C)O)[C@H](O)CC4)=O)=O)=O)=O)CO)=O)CCC1)=O
+CH$IUPAC: InChI=1S/C51H72N8O14/c1-7-13-39(63)58-25-12-16-37(58)46(67)54-36(27-60)45(66)56-42-30(5)73-51(72)41(28(3)8-2)55-47(68)38(26-32-17-20-33(62)21-18-32)57(6)50(71)43(29(4)61)59-40(64)24-23-35(49(59)70)53-44(65)34(52-48(42)69)22-19-31-14-10-9-11-15-31/h9-11,14-15,17-18,20-21,28-30,34-38,40-43,60-62,64H,7-8,12-13,16,19,22-27H2,1-6H3,(H,52,69)(H,53,65)(H,54,67)(H,55,68)(H,56,66)/t28-,29-,30-,34+,35+,36+,37+,38+,40-,41+,42+,43+/m1/s1
+CH$LINK: INCHIKEY NCTMHAKMWCIMCA-KPQXWPPMSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 70-1060
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.793 min
+MS$FOCUSED_ION: BASE_PEAK 1003.5139
+MS$FOCUSED_ION: PRECURSOR_M/Z 1021.5241
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 203095728.06
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0fef-7900000000-ead8b581eb0ff5c7a713
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  71.0492 C4H7O+ 1 71.0491 1.04
+  74.0601 C3H8NO+ 1 74.06 0.54
+  79.0542 C6H7+ 1 79.0542 -0.68
+  80.0495 C5H6N+ 1 80.0495 0.17
+  81.0574 C5H7N+ 1 81.0573 1.06
+  84.0444 C4H6NO+ 1 84.0444 0.21
+  86.0602 C4H8NO+ 1 86.06 1.55
+  91.0542 C7H7+ 1 91.0542 0.17
+  93.07 C7H9+ 1 93.0699 0.81
+  94.0651 C6H8N+ 1 94.0651 0.09
+  95.0603 C5H7N2+ 1 95.0604 -0.55
+  96.0443 C5H6NO+ 1 96.0444 -0.43
+  96.0808 C6H10N+ 1 96.0808 0.44
+  97.0761 C5H9N2+ 1 97.076 1.04
+  98.0601 C5H8NO+ 1 98.06 0.19
+  105.07 C8H9+ 1 105.0699 1.4
+  106.0652 C7H8N+ 1 106.0651 0.65
+  107.0492 C7H7O+ 1 107.0491 0.24
+  108.0445 C6H6NO+ 1 108.0444 1.23
+  108.0808 C7H10N+ 1 108.0808 0.45
+  109.0648 C7H9O+ 1 109.0648 -0.23
+  109.0762 C6H9N2+ 1 109.076 1.84
+  111.0554 C5H7N2O+ 1 111.0553 0.75
+  111.0917 C6H11N2+ 1 111.0917 0.4
+  112.0392 C5H6NO2+ 1 112.0393 -0.99
+  115.054 C9H7+ 1 115.0542 -2.38
+  117.0573 C8H7N+ 1 117.0573 -0.2
+  117.0699 C9H9+ 1 117.0699 -0.03
+  119.0492 C8H7O+ 1 119.0491 0.57
+  121.065 C8H9O+ 1 121.0648 1.57
+  123.0917 C7H11N2+ 1 123.0917 0.33
+  124.0757 C7H10NO+ 1 124.0757 0.34
+  129.0699 C10H9+ 1 129.0699 0.06
+  132.081 C9H10N+ 1 132.0808 1.96
+  133.0522 C8H7NO+ 1 133.0522 0.1
+  134.06 C8H8NO+ 1 134.06 -0.09
+  135.0678 C8H9NO+ 1 135.0679 -0.51
+  136.0392 C7H6NO2+ 1 136.0393 -0.42
+  139.0866 C7H11N2O+ 1 139.0866 -0.12
+  148.0757 C9H10NO+ 1 148.0757 0.32
+  149.071 C8H9N2O+ 1 149.0709 0.14
+  150.0913 C9H12NO+ 1 150.0913 -0.48
+  151.0864 C8H11N2O+ 1 151.0866 -1.26
+  153.0666 C7H9N2O2+ 1 153.0659 4.83
+  167.0819 C8H11N2O2+ 1 167.0815 2.49
+  168.1019 C9H14NO2+ 1 168.1019 0.04
+  173.0841 C11H11NO+ 1 173.0835 3.3
+  174.0913 C11H12NO+ 1 174.0913 -0.04
+  184.1124 C13H14N+ 1 184.1121 1.67
+  188.1072 C12H14NO+ 1 188.107 0.88
+PK$NUM_PEAK: 50
+PK$PEAK: m/z int. rel.int.
+  71.0492 1055985 120
+  74.0601 2531811.2 289
+  79.0542 299572.3 34
+  80.0495 3611570.2 412
+  81.0574 179736.2 20
+  84.0444 1316127.6 150
+  86.0602 102348.1 11
+  91.0542 8747606 999
+  93.07 126940.9 14
+  94.0651 590561.5 67
+  95.0603 171455.7 19
+  96.0443 672940.5 76
+  96.0808 1925265.5 219
+  97.0761 497672.7 56
+  98.0601 215611.3 24
+  105.07 231372.9 26
+  106.0652 1121073.6 128
+  107.0492 1224995.6 139
+  108.0445 218997.6 25
+  108.0808 367898.4 42
+  109.0648 559499 63
+  109.0762 162411.8 18
+  111.0554 131123.2 14
+  111.0917 115150.2 13
+  112.0392 169482.9 19
+  115.054 281821.6 32
+  117.0573 213053.3 24
+  117.0699 1571668 179
+  119.0492 1293366.4 147
+  121.065 1070063.8 122
+  123.0917 1049810.1 119
+  124.0757 2045221 233
+  129.0699 151552.6 17
+  132.081 248378.6 28
+  133.0522 145696.1 16
+  134.06 961905.5 109
+  135.0678 3448776.2 393
+  136.0392 323400.8 36
+  139.0866 192128.3 21
+  148.0757 196110.9 22
+  149.071 195239.2 22
+  150.0913 5715474 652
+  151.0864 1008616.8 115
+  153.0666 195919.9 22
+  167.0819 203316.3 23
+  168.1019 121439.6 13
+  173.0841 185777.9 21
+  174.0913 170885.6 19
+  184.1124 144373.8 16
+  188.1072 190142 21
+//
diff --git a/Eawag/MSBNK-MLU-ED234151.txt b/Eawag/MSBNK-MLU-ED234151.txt
new file mode 100644
index 0000000000..ce33c53bc5
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED234151.txt
@@ -0,0 +1,59 @@
+ACCESSION: MSBNK-MLU-ED234151
+RECORD_TITLE: Insulapeptolide E; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], C. Mehner [dtc], G. M. Koenig  [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2341
+CH$NAME: Insulapeptolide E
+CH$NAME: (S)-N-((S)-1-(((1S,2S,5S,8S,11R,12S,15S,18S,21R)-8-((R)-sec-butyl)-21-hydroxy-5-(4-hydroxybenzyl)-2-((R)-1-hydroxyethyl)-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-15-phenethyl-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-hydroxy-1-oxopropan-2-yl)-1-butyrylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C51H72N8O14
+CH$EXACT_MASS: 1020.516799
+CH$SMILES: CCCC(N1[C@H](C(N[C@H](C(N[C@@H]([C@H](OC([C@H]([C@H](C)CC)N2)=O)C)C(N[C@@H](CCC3=CC=CC=C3)C(N[C@@H]4C([N@@]([C@H](C(N(C)[C@H](C2=O)CC5=CC=C(O)C=C5)=O)[C@@H](C)O)[C@H](O)CC4)=O)=O)=O)=O)CO)=O)CCC1)=O
+CH$IUPAC: InChI=1S/C51H72N8O14/c1-7-13-39(63)58-25-12-16-37(58)46(67)54-36(27-60)45(66)56-42-30(5)73-51(72)41(28(3)8-2)55-47(68)38(26-32-17-20-33(62)21-18-32)57(6)50(71)43(29(4)61)59-40(64)24-23-35(49(59)70)53-44(65)34(52-48(42)69)22-19-31-14-10-9-11-15-31/h9-11,14-15,17-18,20-21,28-30,34-38,40-43,60-62,64H,7-8,12-13,16,19,22-27H2,1-6H3,(H,52,69)(H,53,65)(H,54,67)(H,55,68)(H,56,66)/t28-,29-,30-,34+,35+,36+,37+,38+,40-,41+,42+,43+/m1/s1
+CH$LINK: INCHIKEY NCTMHAKMWCIMCA-KPQXWPPMSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 70-1060
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.814 min
+MS$FOCUSED_ION: BASE_PEAK 1019.5094
+MS$FOCUSED_ION: PRECURSOR_M/Z 1019.5095
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 273247482.03
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-016r-9000001005-992f7959f79cc4bf8d83
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  642.3256 C31H44N7O8- 11 642.3257 -0.09
+  672.3371 C34H48N4O10- 11 672.3376 -0.72
+  686.3516 C47H46N2O3- 12 686.3514 0.27
+  716.3622 C34H50N7O10- 12 716.3625 -0.35
+  931.4549 C49H65N5O13- 2 931.4584 -3.78
+  975.4835 C49H67N8O13- 2 975.4833 0.17
+  976.4873 C49H68N8O13- 1 976.4911 -3.96
+  989.5009 C50H69N8O13- 1 989.499 1.95
+  1019.5097 C51H71N8O14- 1 1019.5095 0.15
+PK$NUM_PEAK: 9
+PK$PEAK: m/z int. rel.int.
+  642.3256 2563573 39
+  672.3371 1861006.4 28
+  686.3516 5263278.5 81
+  716.3622 6234159 96
+  931.4549 1699624.2 26
+  975.4835 34001820 528
+  976.4873 3003565.8 46
+  989.5009 2042934.9 31
+  1019.5097 64233980 999
+//
diff --git a/Eawag/MSBNK-MLU-ED234152.txt b/Eawag/MSBNK-MLU-ED234152.txt
new file mode 100644
index 0000000000..48c65f03c3
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED234152.txt
@@ -0,0 +1,65 @@
+ACCESSION: MSBNK-MLU-ED234152
+RECORD_TITLE: Insulapeptolide E; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], C. Mehner [dtc], G. M. Koenig  [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2341
+CH$NAME: Insulapeptolide E
+CH$NAME: (S)-N-((S)-1-(((1S,2S,5S,8S,11R,12S,15S,18S,21R)-8-((R)-sec-butyl)-21-hydroxy-5-(4-hydroxybenzyl)-2-((R)-1-hydroxyethyl)-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-15-phenethyl-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-hydroxy-1-oxopropan-2-yl)-1-butyrylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C51H72N8O14
+CH$EXACT_MASS: 1020.516799
+CH$SMILES: CCCC(N1[C@H](C(N[C@H](C(N[C@@H]([C@H](OC([C@H]([C@H](C)CC)N2)=O)C)C(N[C@@H](CCC3=CC=CC=C3)C(N[C@@H]4C([N@@]([C@H](C(N(C)[C@H](C2=O)CC5=CC=C(O)C=C5)=O)[C@@H](C)O)[C@H](O)CC4)=O)=O)=O)=O)CO)=O)CCC1)=O
+CH$IUPAC: InChI=1S/C51H72N8O14/c1-7-13-39(63)58-25-12-16-37(58)46(67)54-36(27-60)45(66)56-42-30(5)73-51(72)41(28(3)8-2)55-47(68)38(26-32-17-20-33(62)21-18-32)57(6)50(71)43(29(4)61)59-40(64)24-23-35(49(59)70)53-44(65)34(52-48(42)69)22-19-31-14-10-9-11-15-31/h9-11,14-15,17-18,20-21,28-30,34-38,40-43,60-62,64H,7-8,12-13,16,19,22-27H2,1-6H3,(H,52,69)(H,53,65)(H,54,67)(H,55,68)(H,56,66)/t28-,29-,30-,34+,35+,36+,37+,38+,40-,41+,42+,43+/m1/s1
+CH$LINK: INCHIKEY NCTMHAKMWCIMCA-KPQXWPPMSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 70-1060
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.814 min
+MS$FOCUSED_ION: BASE_PEAK 1019.5094
+MS$FOCUSED_ION: PRECURSOR_M/Z 1019.5095
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 273247482.03
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00or-5000002009-b4b9d4a4492604a631df
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  638.3198 C33H44N5O8- 8 638.3195 0.36
+  643.3303 C41H39N8- 10 643.3303 -0.08
+  672.337 C34H48N4O10- 11 672.3376 -0.9
+  686.3515 C47H46N2O3- 12 686.3514 0.18
+  716.3626 C34H50N7O10- 12 716.3625 0.16
+  945.4733 C48H65N8O12- 2 945.4727 0.59
+  957.4731 C49H65N8O12- 2 957.4727 0.35
+  975.4834 C49H67N8O13- 2 975.4833 0.11
+  976.4881 C49H68N8O13- 2 976.4911 -3.15
+  989.4994 C50H69N8O13- 1 989.499 0.41
+  1001.4965 C51H69N8O13- 1 1001.499 -2.5
+  1019.5096 C51H71N8O14- 1 1019.5095 0.09
+PK$NUM_PEAK: 12
+PK$PEAK: m/z int. rel.int.
+  638.3198 1057624.1 30
+  643.3303 788105.6 23
+  672.337 1996502.6 58
+  686.3515 10354618 303
+  716.3626 2600035 76
+  945.4733 11076774 324
+  957.4731 2529934.5 74
+  975.4834 34105872 999
+  976.4881 2506480.2 73
+  989.4994 6603339 193
+  1001.4965 1481085.6 43
+  1019.5096 32099614 940
+//
diff --git a/Eawag/MSBNK-MLU-ED234153.txt b/Eawag/MSBNK-MLU-ED234153.txt
new file mode 100644
index 0000000000..084cfe235e
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED234153.txt
@@ -0,0 +1,79 @@
+ACCESSION: MSBNK-MLU-ED234153
+RECORD_TITLE: Insulapeptolide E; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], C. Mehner [dtc], G. M. Koenig  [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2341
+CH$NAME: Insulapeptolide E
+CH$NAME: (S)-N-((S)-1-(((1S,2S,5S,8S,11R,12S,15S,18S,21R)-8-((R)-sec-butyl)-21-hydroxy-5-(4-hydroxybenzyl)-2-((R)-1-hydroxyethyl)-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-15-phenethyl-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-hydroxy-1-oxopropan-2-yl)-1-butyrylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C51H72N8O14
+CH$EXACT_MASS: 1020.516799
+CH$SMILES: CCCC(N1[C@H](C(N[C@H](C(N[C@@H]([C@H](OC([C@H]([C@H](C)CC)N2)=O)C)C(N[C@@H](CCC3=CC=CC=C3)C(N[C@@H]4C([N@@]([C@H](C(N(C)[C@H](C2=O)CC5=CC=C(O)C=C5)=O)[C@@H](C)O)[C@H](O)CC4)=O)=O)=O)=O)CO)=O)CCC1)=O
+CH$IUPAC: InChI=1S/C51H72N8O14/c1-7-13-39(63)58-25-12-16-37(58)46(67)54-36(27-60)45(66)56-42-30(5)73-51(72)41(28(3)8-2)55-47(68)38(26-32-17-20-33(62)21-18-32)57(6)50(71)43(29(4)61)59-40(64)24-23-35(49(59)70)53-44(65)34(52-48(42)69)22-19-31-14-10-9-11-15-31/h9-11,14-15,17-18,20-21,28-30,34-38,40-43,60-62,64H,7-8,12-13,16,19,22-27H2,1-6H3,(H,52,69)(H,53,65)(H,54,67)(H,55,68)(H,56,66)/t28-,29-,30-,34+,35+,36+,37+,38+,40-,41+,42+,43+/m1/s1
+CH$LINK: INCHIKEY NCTMHAKMWCIMCA-KPQXWPPMSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 70-1060
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.814 min
+MS$FOCUSED_ION: BASE_PEAK 1019.5094
+MS$FOCUSED_ION: PRECURSOR_M/Z 1019.5095
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 273247482.03
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-002g-0000004009-cd806504e234b4844a19
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  151.0496 C5H5N5O- 1 151.05 -2.37
+  240.1339 C9H16N6O2- 1 240.134 -0.32
+  256.0968 C13H12N4O2- 3 256.0966 0.81
+  307.1657 CH29N3O14- 4 307.1655 0.6
+  323.1715 H29N5O14- 4 323.1716 -0.4
+  335.1719 C16H23N4O4- 4 335.1725 -1.77
+  353.1833 C16H25N4O5- 6 353.183 0.73
+  459.2246 C23H31N4O6- 6 459.2249 -0.6
+  598.2883 C33H38N6O5- 8 598.2909 -4.31
+  642.3254 C31H44N7O8- 11 642.3257 -0.37
+  721.3568 C37H49N6O9- 10 721.3567 0.18
+  931.4582 C49H65N5O13- 3 931.4584 -0.24
+  945.4732 C48H65N8O12- 2 945.4727 0.46
+  946.4751 C51H68N3O14- 1 946.4707 4.65
+  957.4731 C49H65N8O12- 2 957.4727 0.41
+  975.4837 C49H67N8O13- 2 975.4833 0.42
+  989.4995 C50H69N8O13- 1 989.499 0.6
+  1001.5013 C51H69N8O13- 1 1001.499 2.32
+  1019.5099 C51H71N8O14- 1 1019.5095 0.38
+PK$NUM_PEAK: 19
+PK$PEAK: m/z int. rel.int.
+  151.0496 316002.5 11
+  240.1339 332293.6 11
+  256.0968 475310.4 16
+  307.1657 364268.3 12
+  323.1715 3288486.2 115
+  335.1719 386165.6 13
+  353.1833 482344.6 16
+  459.2246 538104.4 18
+  598.2883 433794.8 15
+  642.3254 28395032 999
+  721.3568 2725297 95
+  931.4582 1312999.8 46
+  945.4732 26205412 921
+  946.4751 1942768.5 68
+  957.4731 4950679.5 174
+  975.4837 16117152 567
+  989.4995 3590300.5 126
+  1001.5013 642953.8 22
+  1019.5099 4238026 149
+//
diff --git a/Eawag/MSBNK-MLU-ED234154.txt b/Eawag/MSBNK-MLU-ED234154.txt
new file mode 100644
index 0000000000..f561205ca3
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED234154.txt
@@ -0,0 +1,137 @@
+ACCESSION: MSBNK-MLU-ED234154
+RECORD_TITLE: Insulapeptolide E; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], C. Mehner [dtc], G. M. Koenig  [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2341
+CH$NAME: Insulapeptolide E
+CH$NAME: (S)-N-((S)-1-(((1S,2S,5S,8S,11R,12S,15S,18S,21R)-8-((R)-sec-butyl)-21-hydroxy-5-(4-hydroxybenzyl)-2-((R)-1-hydroxyethyl)-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-15-phenethyl-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-hydroxy-1-oxopropan-2-yl)-1-butyrylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C51H72N8O14
+CH$EXACT_MASS: 1020.516799
+CH$SMILES: CCCC(N1[C@H](C(N[C@H](C(N[C@@H]([C@H](OC([C@H]([C@H](C)CC)N2)=O)C)C(N[C@@H](CCC3=CC=CC=C3)C(N[C@@H]4C([N@@]([C@H](C(N(C)[C@H](C2=O)CC5=CC=C(O)C=C5)=O)[C@@H](C)O)[C@H](O)CC4)=O)=O)=O)=O)CO)=O)CCC1)=O
+CH$IUPAC: InChI=1S/C51H72N8O14/c1-7-13-39(63)58-25-12-16-37(58)46(67)54-36(27-60)45(66)56-42-30(5)73-51(72)41(28(3)8-2)55-47(68)38(26-32-17-20-33(62)21-18-32)57(6)50(71)43(29(4)61)59-40(64)24-23-35(49(59)70)53-44(65)34(52-48(42)69)22-19-31-14-10-9-11-15-31/h9-11,14-15,17-18,20-21,28-30,34-38,40-43,60-62,64H,7-8,12-13,16,19,22-27H2,1-6H3,(H,52,69)(H,53,65)(H,54,67)(H,55,68)(H,56,66)/t28-,29-,30-,34+,35+,36+,37+,38+,40-,41+,42+,43+/m1/s1
+CH$LINK: INCHIKEY NCTMHAKMWCIMCA-KPQXWPPMSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 70-1060
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.814 min
+MS$FOCUSED_ION: BASE_PEAK 1019.5094
+MS$FOCUSED_ION: PRECURSOR_M/Z 1019.5095
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 273247482.03
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0072-0359114207-22ad7b9a6d1cb6a09ab6
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  84.0077 CN4O- 1 84.0078 -1.24
+  99.0547 C2H5N5- 1 99.055 -3.92
+  113.0338 C2H3N5O- 1 113.0343 -4.6
+  113.0704 C3H7N5- 1 113.0707 -2.59
+  119.0484 C6H5N3- 1 119.0489 -3.94
+  127.05 C3H5N5O- 1 127.05 0.36
+  130.0862 C4H10N4O- 1 130.086 1.29
+  140.034 C4H4N4O2- 1 140.034 0.1
+  151.05 C5H5N5O- 1 151.05 0.56
+  170.0553 C4H6N6O2- 1 170.0558 -2.84
+  170.0922 C5H10N6O- 1 170.0922 -0.02
+  182.0914 C6H10N6O- 2 182.0922 -4.28
+  183.1124 C7H13N5O- 1 183.1126 -1.08
+  200.07 C10H8N4O- 1 200.0704 -1.67
+  212.1054 C11H16O4- 1 212.1054 0.03
+  217.0967 C10H11N5O- 1 217.0969 -0.99
+  223.107 C8H17NO6- 3 223.1061 3.93
+  232.132 C12H16N4O- 3 232.133 -4.03
+  233.0913 C10H11N5O2- 3 233.0918 -2.36
+  235.119 C10H19O6- 3 235.1187 1.26
+  240.1339 C9H16N6O2- 2 240.134 -0.7
+  243.1125 C12H13N5O- 1 243.1126 -0.2
+  252.1329 C10H16N6O2- 2 252.134 -4.37
+  253.1301 C10H21O7- 3 253.1293 3.21
+  256.0965 C13H12N4O2- 4 256.0966 -0.26
+  262.1533 C11H22N2O5- 2 262.1534 -0.34
+  268.143 C14H16N6- 2 268.1442 -4.62
+  280.1654 C12H20N6O2- 2 280.1653 0.29
+  305.1609 H27N5O13- 4 305.1611 -0.63
+  307.1656 CH29N3O14- 4 307.1655 0.4
+  311.1713 C13H27O8- 4 311.1711 0.41
+  323.1716 H29N5O14- 4 323.1716 -0.12
+  335.1737 C16H23N4O4- 5 335.1725 3.52
+  343.1759 C18H23N4O3- 6 343.1776 -4.84
+  353.1824 C16H25N4O5- 3 353.183 -1.86
+  361.1884 C3H31N5O14- 7 361.1873 2.97
+  362.1825 C2H30N6O14- 4 362.1825 -0.01
+  364.1882 C19H22N7O- 6 364.1891 -2.67
+  418.2089 C19H32NO9- 5 418.2083 1.53
+  459.2253 C23H31N4O6- 7 459.2249 0.86
+  477.2346 C22H37O11- 7 477.2341 1.07
+  586.2993 C28H40N7O7- 9 586.2995 -0.34
+  638.3196 C33H44N5O8- 8 638.3195 0.17
+  643.3303 C41H39N8- 10 643.3303 -0.08
+  686.3515 C47H46N2O3- 12 686.3514 0.1
+  721.3572 C37H49N6O9- 9 721.3567 0.78
+  945.4734 C48H65N8O12- 2 945.4727 0.66
+  946.4743 C51H68N3O14- 1 946.4707 3.81
+PK$NUM_PEAK: 48
+PK$PEAK: m/z int. rel.int.
+  84.0077 427665.7 33
+  99.0547 271206.5 21
+  113.0338 270577.9 21
+  113.0704 367167.8 29
+  119.0484 305271.8 24
+  127.05 491682.5 38
+  130.0862 1022199.8 80
+  140.034 380365.8 30
+  151.05 810176.1 64
+  170.0553 225975.2 17
+  170.0922 874432.5 69
+  182.0914 276518 21
+  183.1124 956439.9 75
+  200.07 185656.7 14
+  212.1054 207087.2 16
+  217.0967 695498.2 55
+  223.107 1150557.4 91
+  232.132 251568.5 19
+  233.0913 1031027.4 81
+  235.119 687272.6 54
+  240.1339 1613601.5 127
+  243.1125 405538.9 32
+  252.1329 180652.6 14
+  253.1301 446746.4 35
+  256.0965 1432164.1 113
+  262.1533 174415.4 13
+  268.143 182754.3 14
+  280.1654 227246.5 17
+  305.1609 4657763 368
+  307.1656 1074415.6 85
+  311.1713 410124.7 32
+  323.1716 6506904 514
+  335.1737 379434.9 30
+  343.1759 188866.5 14
+  353.1824 279926.1 22
+  361.1884 846773 67
+  362.1825 517063.8 40
+  364.1882 893185.6 70
+  418.2089 540228.2 42
+  459.2253 1063748.1 84
+  477.2346 530968 42
+  586.2993 2938077.2 232
+  638.3196 6264014 495
+  643.3303 866268.3 68
+  686.3515 333148.6 26
+  721.3572 4766052 377
+  945.4734 12623616 999
+  946.4743 991818.2 78
+//
diff --git a/Eawag/MSBNK-MLU-ED234155.txt b/Eawag/MSBNK-MLU-ED234155.txt
new file mode 100644
index 0000000000..a82cadaa7d
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED234155.txt
@@ -0,0 +1,231 @@
+ACCESSION: MSBNK-MLU-ED234155
+RECORD_TITLE: Insulapeptolide E; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], C. Mehner [dtc], G. M. Koenig  [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2341
+CH$NAME: Insulapeptolide E
+CH$NAME: (S)-N-((S)-1-(((1S,2S,5S,8S,11R,12S,15S,18S,21R)-8-((R)-sec-butyl)-21-hydroxy-5-(4-hydroxybenzyl)-2-((R)-1-hydroxyethyl)-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-15-phenethyl-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-hydroxy-1-oxopropan-2-yl)-1-butyrylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C51H72N8O14
+CH$EXACT_MASS: 1020.516799
+CH$SMILES: CCCC(N1[C@H](C(N[C@H](C(N[C@@H]([C@H](OC([C@H]([C@H](C)CC)N2)=O)C)C(N[C@@H](CCC3=CC=CC=C3)C(N[C@@H]4C([N@@]([C@H](C(N(C)[C@H](C2=O)CC5=CC=C(O)C=C5)=O)[C@@H](C)O)[C@H](O)CC4)=O)=O)=O)=O)CO)=O)CCC1)=O
+CH$IUPAC: InChI=1S/C51H72N8O14/c1-7-13-39(63)58-25-12-16-37(58)46(67)54-36(27-60)45(66)56-42-30(5)73-51(72)41(28(3)8-2)55-47(68)38(26-32-17-20-33(62)21-18-32)57(6)50(71)43(29(4)61)59-40(64)24-23-35(49(59)70)53-44(65)34(52-48(42)69)22-19-31-14-10-9-11-15-31/h9-11,14-15,17-18,20-21,28-30,34-38,40-43,60-62,64H,7-8,12-13,16,19,22-27H2,1-6H3,(H,52,69)(H,53,65)(H,54,67)(H,55,68)(H,56,66)/t28-,29-,30-,34+,35+,36+,37+,38+,40-,41+,42+,43+/m1/s1
+CH$LINK: INCHIKEY NCTMHAKMWCIMCA-KPQXWPPMSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 70-1060
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.814 min
+MS$FOCUSED_ION: BASE_PEAK 1019.5094
+MS$FOCUSED_ION: PRECURSOR_M/Z 1019.5095
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 273247482.03
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-01q9-1972000000-873cc43219a41d7d05e8
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  73.0394 H3N5- 1 73.0394 0.04
+  74.0235 H2N4O- 1 74.0234 1.27
+  82.0286 C2H2N4- 1 82.0285 1.68
+  84.0078 CN4O- 1 84.0078 0.75
+  85.0394 CH3N5- 1 85.0394 0.14
+  86.0598 C2H6N4- 1 86.0598 0.63
+  87.055 CH5N5- 1 87.055 -0.66
+  93.0333 C4H3N3- 1 93.0332 1.01
+  95.024 C2HN5- 1 95.0237 2.77
+  99.0187 CHN5O- 1 99.0187 0.56
+  99.0551 C2H5N5- 1 99.055 0.16
+  100.0391 C2H4N4O- 1 100.0391 0.03
+  107.0492 C5H5N3- 1 107.0489 2.7
+  108.0441 C4H4N4- 1 108.0441 -0.24
+  109.0393 C3H3N5- 1 109.0394 -1.02
+  110.0234 C3H2N4O- 1 110.0234 0.35
+  111.0187 C2HN5O- 1 111.0187 0.27
+  111.055 C3H5N5- 1 111.055 -0.56
+  112.0266 C2H2N5O- 1 112.0265 0.66
+  113.0344 C2H3N5O- 1 113.0343 0.39
+  113.0707 C3H7N5- 1 113.0707 -0.09
+  119.0489 C6H5N3- 1 119.0489 0.23
+  121.0395 C4H3N5- 1 121.0394 0.48
+  123.0552 C4H5N5- 1 123.055 1.12
+  124.0394 C4H4N4O- 1 124.0391 2.35
+  125.0345 C3H3N5O- 1 125.0343 1.76
+  125.0708 C4H7N5- 1 125.0707 0.53
+  127.05 C3H5N5O- 1 127.05 0.42
+  130.0861 C4H10N4O- 1 130.086 0.7
+  136.039 C5H4N4O- 1 136.0391 -0.22
+  138.0661 C4H6N6- 1 138.0659 1.1
+  139.0502 C4H5N5O- 1 139.05 1.64
+  140.0343 C4H4N4O2- 1 140.034 2.17
+  144.0765 C3H8N6O- 1 144.0765 0.1
+  147.0439 C7H5N3O- 1 147.0438 0.79
+  151.0501 C5H5N5O- 1 151.05 0.96
+  153.0654 C5H7N5O- 1 153.0656 -1.57
+  155.1176 C6H13N5- 1 155.1176 -0.06
+  156.0768 C4H8N6O- 1 156.0765 1.71
+  168.0772 C5H8N6O- 2 168.0765 3.98
+  169.0479 C4H5N6O2- 1 169.0479 -0.1
+  170.056 C4H6N6O2- 1 170.0558 1.37
+  170.0921 C5H10N6O- 1 170.0922 -0.38
+  177.1024 C8H11N5- 1 177.102 2.29
+  178.0858 C8H10N4O- 1 178.086 -1.09
+  182.092 C6H10N6O- 1 182.0922 -0.59
+  183.0637 C5H7N6O2- 1 183.0636 0.81
+  183.1125 C7H13N5O- 1 183.1126 -0.5
+  184.0714 C5H8N6O2- 1 184.0714 -0.16
+  187.0861 C9H9N5- 1 187.0863 -1.28
+  192.1131 C8H12N6- 1 192.1129 0.92
+  196.1078 C7H12N6O- 1 196.1078 -0.16
+  199.0862 C10H9N5- 1 199.0863 -0.8
+  200.0698 C10H8N4O- 3 200.0704 -3.04
+  201.0987 C7H13N4O3- 3 201.0993 -3.3
+  203.0813 C9H9N5O- 1 203.0813 -0.02
+  209.1027 C7H11N7O- 3 209.1031 -1.55
+  210.1234 C8H14N6O- 1 210.1235 -0.46
+  213.1019 C11H11N5- 1 213.102 -0.28
+  214.1546 C8H18N6O- 1 214.1548 -0.71
+  215.0817 C10H9N5O- 2 215.0813 2.04
+  215.1177 C11H13N5- 1 215.1176 0.15
+  217.0968 C10H11N5O- 1 217.0969 -0.57
+  223.107 C8H17NO6- 3 223.1061 3.86
+  227.1137 C8H19O7- 2 227.1136 0.11
+  229.0969 C11H11N5O- 1 229.0969 -0.02
+  232.1329 C12H16N4O- 1 232.133 -0.28
+  233.0915 C10H11N5O2- 3 233.0918 -1.51
+  234.1235 C10H14N6O- 1 234.1235 0.33
+  235.1187 C10H19O6- 2 235.1187 0.16
+  239.0794 C9H11N4O4- 3 239.0786 3.52
+  239.1166 C12H17NO4- 2 239.1163 1.31
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+  586.2993 C28H40N7O7- 9 586.2995 -0.34
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+//
diff --git a/Eawag/MSBNK-MLU-ED234156.txt b/Eawag/MSBNK-MLU-ED234156.txt
new file mode 100644
index 0000000000..ef57baf3c0
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED234156.txt
@@ -0,0 +1,263 @@
+ACCESSION: MSBNK-MLU-ED234156
+RECORD_TITLE: Insulapeptolide E; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], C. Mehner [dtc], G. M. Koenig  [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2341
+CH$NAME: Insulapeptolide E
+CH$NAME: (S)-N-((S)-1-(((1S,2S,5S,8S,11R,12S,15S,18S,21R)-8-((R)-sec-butyl)-21-hydroxy-5-(4-hydroxybenzyl)-2-((R)-1-hydroxyethyl)-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-15-phenethyl-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-hydroxy-1-oxopropan-2-yl)-1-butyrylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C51H72N8O14
+CH$EXACT_MASS: 1020.516799
+CH$SMILES: CCCC(N1[C@H](C(N[C@H](C(N[C@@H]([C@H](OC([C@H]([C@H](C)CC)N2)=O)C)C(N[C@@H](CCC3=CC=CC=C3)C(N[C@@H]4C([N@@]([C@H](C(N(C)[C@H](C2=O)CC5=CC=C(O)C=C5)=O)[C@@H](C)O)[C@H](O)CC4)=O)=O)=O)=O)CO)=O)CCC1)=O
+CH$IUPAC: InChI=1S/C51H72N8O14/c1-7-13-39(63)58-25-12-16-37(58)46(67)54-36(27-60)45(66)56-42-30(5)73-51(72)41(28(3)8-2)55-47(68)38(26-32-17-20-33(62)21-18-32)57(6)50(71)43(29(4)61)59-40(64)24-23-35(49(59)70)53-44(65)34(52-48(42)69)22-19-31-14-10-9-11-15-31/h9-11,14-15,17-18,20-21,28-30,34-38,40-43,60-62,64H,7-8,12-13,16,19,22-27H2,1-6H3,(H,52,69)(H,53,65)(H,54,67)(H,55,68)(H,56,66)/t28-,29-,30-,34+,35+,36+,37+,38+,40-,41+,42+,43+/m1/s1
+CH$LINK: INCHIKEY NCTMHAKMWCIMCA-KPQXWPPMSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 70-1060
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.814 min
+MS$FOCUSED_ION: BASE_PEAK 1019.5094
+MS$FOCUSED_ION: PRECURSOR_M/Z 1019.5095
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 273247482.03
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0459-1930000000-71b22cff63b98fad8944
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
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+  72.0078 N4O- 1 72.0078 0.84
+  73.0395 H3N5- 1 73.0394 0.87
+  74.0234 H2N4O- 1 74.0234 -0.69
+  82.0286 C2H2N4- 1 82.0285 1.49
+  83.0238 CHN5- 1 83.0237 0.51
+  84.0077 CN4O- 1 84.0078 -0.61
+  85.0394 CH3N5- 1 85.0394 0.41
+  86.0598 C2H6N4- 1 86.0598 -0.43
+  87.055 CH5N5- 1 87.055 -0.14
+  93.0332 C4H3N3- 1 93.0332 -0.96
+  95.0237 C2HN5- 1 95.0237 -0.2
+  96.0441 C3H4N4- 1 96.0441 -0.18
+  97.0394 C2H3N5- 1 97.0394 0.07
+  98.0236 C2H2N4O- 1 98.0234 2.28
+  99.0187 CHN5O- 1 99.0187 0.33
+  99.0551 C2H5N5- 1 99.055 0.86
+  100.039 C2H4N4O- 1 100.0391 -0.12
+  107.0489 C5H5N3- 1 107.0489 -0.22
+  108.0441 C4H4N4- 1 108.0441 0.05
+  109.0394 C3H3N5- 1 109.0394 0.1
+  110.0236 C3H2N4O- 1 110.0234 1.53
+  111.0186 C2HN5O- 1 111.0187 -0.28
+  111.0553 C3H5N5- 1 111.055 2.53
+  112.0264 C2H2N5O- 1 112.0265 -0.5
+  112.039 C3H4N4O- 1 112.0391 -0.93
+  112.0503 C2H4N6- 1 112.0503 0.07
+  113.0343 C2H3N5O- 1 113.0343 0.26
+  113.0707 C3H7N5- 1 113.0707 -0.09
+  114.0545 C3H6N4O- 1 114.0547 -1.97
+  119.0489 C6H5N3- 1 119.0489 0.35
+  120.0441 C5H4N4- 1 120.0441 -0.25
+  121.0393 C4H3N5- 1 121.0394 -0.52
+  123.055 C4H5N5- 1 123.055 -0.12
+  124.039 C4H4N4O- 1 124.0391 -0.11
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+  127.0862 C4H9N5- 1 127.0863 -1.27
+  130.0861 C4H10N4O- 1 130.086 0.7
+  136.0394 C5H4N4O- 1 136.0391 2.58
+  137.0343 C4H3N5O- 1 137.0343 -0.35
+  138.042 C4H4N5O- 1 138.0421 -0.73
+  138.0659 C4H6N6- 1 138.0659 -0.44
+  139.0502 C4H5N5O- 1 139.05 1.75
+  141.0658 C4H7N5O- 1 141.0656 1.31
+  143.1178 C5H13N5- 1 143.1176 0.81
+  144.0766 C3H8N6O- 1 144.0765 0.41
+  147.0436 C7H5N3O- 1 147.0438 -1.39
+  148.075 C7H8N4- 1 148.0754 -3.13
+  150.0657 C5H6N6- 1 150.0659 -1.65
+  151.05 C5H5N5O- 1 151.05 -0.05
+  152.0812 C5H8N6- 1 152.0816 -2.36
+  153.0657 C5H7N5O- 1 153.0656 0.92
+  154.061 C4H6N6O- 1 154.0609 0.67
+  155.1176 C6H13N5- 1 155.1176 -0.26
+  156.0658 C5H8N4O2- 1 156.0653 3.3
+  156.0769 C4H8N6O- 1 156.0765 2.2
+  157.133 C6H15N5- 1 157.1333 -1.64
+  166.0606 C5H6N6O- 1 166.0609 -1.75
+  166.0847 C6H14O5- 2 166.0847 0.02
+  166.0974 C6H10N6- 1 166.0972 1.14
+  168.0399 C4H4N6O2- 1 168.0401 -1.41
+  169.0975 C6H11N5O- 2 169.0969 3.35
+  170.0556 C4H6N6O2- 1 170.0558 -0.78
+  170.0921 C5H10N6O- 1 170.0922 -0.47
+  177.1018 C8H11N5- 1 177.102 -0.9
+  182.0559 C5H6N6O2- 1 182.0558 0.8
+  182.092 C6H10N6O- 1 182.0922 -0.59
+  183.0633 C5H7N6O2- 1 183.0636 -1.44
+  183.1127 C7H13N5O- 1 183.1126 0.75
+  184.0716 C5H8N6O2- 1 184.0714 0.83
+  184.1079 C6H12N6O- 1 184.1078 0.45
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+  191.1177 C9H13N5- 1 191.1176 0.18
+  192.1128 C8H12N6- 1 192.1129 -0.35
+  198.0875 C6H10N6O2- 2 198.0871 1.99
+  199.0865 C10H9N5- 1 199.0863 0.81
+  200.0696 C10H8N4O- 3 200.0704 -3.72
+  200.1388 C7H16N6O- 1 200.1391 -1.4
+  201.0983 C6H17O7- 3 201.098 1.84
+  203.0814 C9H9N5O- 1 203.0813 0.88
+  208.1077 C8H12N6O- 1 208.1078 -0.62
+  209.1028 C7H11N7O- 2 209.1031 -1.03
+  210.1235 C8H14N6O- 1 210.1235 0.12
+  212.1061 C11H16O4- 2 212.1054 3.13
+  213.1019 C11H11N5- 1 213.102 -0.5
+  214.1541 C8H18N6O- 2 214.1548 -2.99
+  215.0817 C10H9N5O- 2 215.0813 2.25
+  215.1174 C11H13N5- 1 215.1176 -1.05
+  217.0968 C10H11N5O- 1 217.0969 -0.43
+  217.1325 C10H19NO4- 2 217.132 2.45
+  223.1071 C8H17NO6- 3 223.1061 4.27
+  227.114 C8H19O7- 3 227.1136 1.59
+  229.0968 C11H11N5O- 1 229.0969 -0.56
+  232.1327 C12H16N4O- 3 232.133 -1.2
+  233.0916 C10H11N5O2- 3 233.0918 -1.05
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+  239.0786 C9H11N4O4- 1 239.0786 0.07
+  239.1168 C12H17NO4- 2 239.1163 2.01
+  240.1339 C9H16N6O2- 1 240.134 -0.39
+  241.1303 C9H21O7- 3 241.1293 4.26
+  243.1128 C12H13N5O- 2 243.1126 0.99
+  248.1391 C11H16N6O- 1 248.1391 -0.19
+  256.096 C13H12N4O2- 4 256.0966 -2.17
+  260.1385 C12H16N6O- 2 260.1391 -2.49
+  268.143 C14H16N6- 2 268.1442 -4.62
+  270.1233 C13H14N6O- 3 270.1235 -0.54
+  274.1553 C13H18N6O- 5 274.1548 1.91
+  305.1609 H27N5O13- 4 305.1611 -0.73
+  307.1654 CH29N3O14- 4 307.1655 -0.39
+PK$NUM_PEAK: 111
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+  307.1654 595379.9 123
+//
diff --git a/Eawag/MSBNK-MLU-ED234157.txt b/Eawag/MSBNK-MLU-ED234157.txt
new file mode 100644
index 0000000000..4c69c884a6
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED234157.txt
@@ -0,0 +1,229 @@
+ACCESSION: MSBNK-MLU-ED234157
+RECORD_TITLE: Insulapeptolide E; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], C. Mehner [dtc], G. M. Koenig  [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2341
+CH$NAME: Insulapeptolide E
+CH$NAME: (S)-N-((S)-1-(((1S,2S,5S,8S,11R,12S,15S,18S,21R)-8-((R)-sec-butyl)-21-hydroxy-5-(4-hydroxybenzyl)-2-((R)-1-hydroxyethyl)-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-15-phenethyl-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-hydroxy-1-oxopropan-2-yl)-1-butyrylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C51H72N8O14
+CH$EXACT_MASS: 1020.516799
+CH$SMILES: CCCC(N1[C@H](C(N[C@H](C(N[C@@H]([C@H](OC([C@H]([C@H](C)CC)N2)=O)C)C(N[C@@H](CCC3=CC=CC=C3)C(N[C@@H]4C([N@@]([C@H](C(N(C)[C@H](C2=O)CC5=CC=C(O)C=C5)=O)[C@@H](C)O)[C@H](O)CC4)=O)=O)=O)=O)CO)=O)CCC1)=O
+CH$IUPAC: InChI=1S/C51H72N8O14/c1-7-13-39(63)58-25-12-16-37(58)46(67)54-36(27-60)45(66)56-42-30(5)73-51(72)41(28(3)8-2)55-47(68)38(26-32-17-20-33(62)21-18-32)57(6)50(71)43(29(4)61)59-40(64)24-23-35(49(59)70)53-44(65)34(52-48(42)69)22-19-31-14-10-9-11-15-31/h9-11,14-15,17-18,20-21,28-30,34-38,40-43,60-62,64H,7-8,12-13,16,19,22-27H2,1-6H3,(H,52,69)(H,53,65)(H,54,67)(H,55,68)(H,56,66)/t28-,29-,30-,34+,35+,36+,37+,38+,40-,41+,42+,43+/m1/s1
+CH$LINK: INCHIKEY NCTMHAKMWCIMCA-KPQXWPPMSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 70-1060
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.814 min
+MS$FOCUSED_ION: BASE_PEAK 1019.5094
+MS$FOCUSED_ION: PRECURSOR_M/Z 1019.5095
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 273247482.03
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03dr-2910000000-28fe701698fcbc681d4a
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  71.0238 HN5- 1 71.0237 1.07
+  72.0077 N4O- 1 72.0078 -0.86
+  73.0394 H3N5- 1 73.0394 -0.28
+  74.0233 H2N4O- 1 74.0234 -0.9
+  82.0285 C2H2N4- 1 82.0285 0.66
+  83.0237 CHN5- 1 83.0237 -0.14
+  84.0077 CN4O- 1 84.0078 -0.24
+  85.0394 CH3N5- 1 85.0394 0.5
+  86.0599 C2H6N4- 1 86.0598 0.81
+  87.055 CH5N5- 1 87.055 -0.14
+  93.0333 C4H3N3- 1 93.0332 0.85
+  94.0283 C3H2N4- 1 94.0285 -2.24
+  95.0236 C2HN5- 1 95.0237 -1.57
+  96.0438 C3H4N4- 1 96.0441 -3.83
+  97.0394 C2H3N5- 1 97.0394 0.22
+  98.0235 C2H2N4O- 1 98.0234 1.42
+  99.0187 CHN5O- 1 99.0187 0.79
+  99.0552 C2H5N5- 1 99.055 1.24
+  106.0411 C5H4N3- 1 106.0411 -0.17
+  107.049 C5H5N3- 1 107.0489 0.85
+  108.0314 C3H2N5- 1 108.0316 -1.55
+  108.044 C4H4N4- 1 108.0441 -1.15
+  109.0393 C3H3N5- 1 109.0394 -0.67
+  110.0107 C2N5O- 1 110.0108 -0.81
+  110.0235 C3H2N4O- 1 110.0234 0.9
+  111.0186 C2HN5O- 1 111.0187 -0.14
+  111.055 C3H5N5- 1 111.055 -0.56
+  112.0501 C2H4N6- 1 112.0503 -1.84
+  113.0343 C2H3N5O- 1 113.0343 0.12
+  113.0707 C3H7N5- 1 113.0707 -0.02
+  114.0544 C3H6N4O- 1 114.0547 -2.43
+  115.0498 C2H5N5O- 1 115.05 -0.97
+  119.0489 C6H5N3- 1 119.0489 0.35
+  120.0442 C5H4N4- 1 120.0441 0.26
+  121.0394 C4H3N5- 1 121.0394 0.23
+  123.0553 C4H5N5- 1 123.055 1.81
+  124.039 C4H4N4O- 1 124.0391 -0.61
+  125.0343 C3H3N5O- 1 125.0343 -0.07
+  125.0707 C4H7N5- 1 125.0707 -0.14
+  127.05 C3H5N5O- 1 127.05 0.48
+  127.0862 C4H9N5- 1 127.0863 -1.33
+  130.061 C2H6N6O- 1 130.0609 0.86
+  130.0861 C4H10N4O- 1 130.086 0.46
+  136.0395 C5H4N4O- 1 136.0391 3.37
+  137.0704 C5H7N5- 1 137.0707 -2.42
+  138.066 C4H6N6- 1 138.0659 0.66
+  139.0502 C4H5N5O- 1 139.05 1.53
+  139.0862 C5H9N5- 1 139.0863 -0.73
+  141.0652 C4H7N5O- 1 141.0656 -3.13
+  143.1178 C5H13N5- 1 143.1176 1.24
+  144.0766 C3H8N6O- 1 144.0765 0.41
+  148.0757 C7H8N4- 1 148.0754 1.51
+  150.0658 C5H6N6- 1 150.0659 -0.64
+  151.0498 C5H5N5O- 1 151.05 -1.26
+  152.0812 C5H8N6- 1 152.0816 -2.76
+  153.0657 C5H7N5O- 1 153.0656 0.32
+  154.0609 C4H6N6O- 1 154.0609 0.57
+  155.0813 C5H9N5O- 1 155.0813 0.49
+  155.1176 C6H13N5- 1 155.1176 -0.36
+  156.0765 C4H8N6O- 1 156.0765 0.15
+  157.1328 C6H15N5- 1 157.1333 -3
+  166.0976 C6H10N6- 1 166.0972 2.42
+  168.0397 C4H4N6O2- 1 168.0401 -2.59
+  169.0967 C6H11N5O- 1 169.0969 -1.34
+  170.0561 C4H6N6O2- 1 170.0558 1.82
+  170.0921 C5H10N6O- 1 170.0922 -0.47
+  177.102 C8H11N5- 1 177.102 0.13
+  178.0856 C8H10N4O- 1 178.086 -2.03
+  182.0558 C5H6N6O2- 1 182.0558 0.21
+  182.0924 C6H10N6O- 1 182.0922 1.33
+  183.1127 C7H13N5O- 1 183.1126 1
+  184.0714 C5H8N6O2- 1 184.0714 -0.25
+  184.108 C6H12N6O- 1 184.1078 0.78
+  187.0858 C9H9N5- 2 187.0863 -2.91
+  189.1017 C9H11N5- 1 189.102 -1.63
+  191.1173 C9H13N5- 1 191.1176 -1.58
+  199.0861 C10H9N5- 1 199.0863 -1.41
+  200.0701 C10H8N4O- 1 200.0704 -1.51
+  200.139 C7H16N6O- 1 200.1391 -0.33
+  201.0983 C6H17O7- 2 201.098 1.46
+  201.1225 C7H15N5O2- 3 201.1231 -3.25
+  209.1027 C7H11N7O- 3 209.1031 -1.76
+  210.1234 C8H14N6O- 1 210.1235 -0.24
+  217.0965 C10H11N5O- 3 217.0969 -1.7
+  217.1325 C10H19NO4- 2 217.132 2.66
+  227.114 C8H19O7- 3 227.1136 1.86
+  232.1332 C12H16N4O- 2 232.133 1.23
+  234.1231 C10H14N6O- 2 234.1235 -1.5
+  235.1186 C9H13N7O- 2 235.1187 -0.53
+  239.0798 C9H11N4O4- 3 239.0786 4.92
+  241.1297 C9H21O7- 3 241.1293 1.79
+  248.1393 C11H16N6O- 2 248.1391 0.61
+  298.1512 C11H24NO8- 3 298.1507 1.45
+  305.1612 H27N5O13- 5 305.1611 0.37
+PK$NUM_PEAK: 94
+PK$PEAK: m/z int. rel.int.
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+  72.0077 110140.9 16
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+  74.0233 300014.5 44
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+  93.0333 533601.2 79
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+  99.0187 714921.9 106
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+  106.0411 118723.4 17
+  107.049 479396.1 71
+  108.0314 189066.7 28
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+  109.0393 516686.7 76
+  110.0107 178451.6 26
+  110.0235 114298.4 16
+  111.0186 1583355.2 235
+  111.055 500505.3 74
+  112.0501 259794.2 38
+  113.0343 6425875 954
+  113.0707 6728453 999
+  114.0544 119928.3 17
+  115.0498 83261.1 12
+  119.0489 4802918 713
+  120.0442 182795.4 27
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+  124.039 368642.4 54
+  125.0343 1284443.9 190
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+  130.061 481276.7 71
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+  136.0395 539732.2 80
+  137.0704 118128.5 17
+  138.066 1183660 175
+  139.0502 701274.8 104
+  139.0862 130451.8 19
+  141.0652 182924 27
+  143.1178 737215.9 109
+  144.0766 6386668 948
+  148.0757 188891.4 28
+  150.0658 154295.5 22
+  151.0498 242732.7 36
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+  157.1328 272193.7 40
+  166.0976 115913.4 17
+  168.0397 153411.8 22
+  169.0967 189345.6 28
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+  170.0921 4484852 665
+  177.102 1096485.5 162
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+  191.1173 249472.5 37
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+  201.0983 604551.8 89
+  201.1225 101766.8 15
+  209.1027 1140817.9 169
+  210.1234 710569.2 105
+  217.0965 1012595 150
+  217.1325 192860.5 28
+  227.114 335135.2 49
+  232.1332 514044.1 76
+  234.1231 273065.6 40
+  235.1186 2690652.8 399
+  239.0798 184501.3 27
+  241.1297 375304.9 55
+  248.1393 1467188.8 217
+  298.1512 121252.5 18
+  305.1612 1013130.6 150
+//
diff --git a/Eawag/MSBNK-MLU-ED234158.txt b/Eawag/MSBNK-MLU-ED234158.txt
new file mode 100644
index 0000000000..6c12fc097f
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED234158.txt
@@ -0,0 +1,179 @@
+ACCESSION: MSBNK-MLU-ED234158
+RECORD_TITLE: Insulapeptolide E; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], C. Mehner [dtc], G. M. Koenig  [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2341
+CH$NAME: Insulapeptolide E
+CH$NAME: (S)-N-((S)-1-(((1S,2S,5S,8S,11R,12S,15S,18S,21R)-8-((R)-sec-butyl)-21-hydroxy-5-(4-hydroxybenzyl)-2-((R)-1-hydroxyethyl)-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-15-phenethyl-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-hydroxy-1-oxopropan-2-yl)-1-butyrylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C51H72N8O14
+CH$EXACT_MASS: 1020.516799
+CH$SMILES: CCCC(N1[C@H](C(N[C@H](C(N[C@@H]([C@H](OC([C@H]([C@H](C)CC)N2)=O)C)C(N[C@@H](CCC3=CC=CC=C3)C(N[C@@H]4C([N@@]([C@H](C(N(C)[C@H](C2=O)CC5=CC=C(O)C=C5)=O)[C@@H](C)O)[C@H](O)CC4)=O)=O)=O)=O)CO)=O)CCC1)=O
+CH$IUPAC: InChI=1S/C51H72N8O14/c1-7-13-39(63)58-25-12-16-37(58)46(67)54-36(27-60)45(66)56-42-30(5)73-51(72)41(28(3)8-2)55-47(68)38(26-32-17-20-33(62)21-18-32)57(6)50(71)43(29(4)61)59-40(64)24-23-35(49(59)70)53-44(65)34(52-48(42)69)22-19-31-14-10-9-11-15-31/h9-11,14-15,17-18,20-21,28-30,34-38,40-43,60-62,64H,7-8,12-13,16,19,22-27H2,1-6H3,(H,52,69)(H,53,65)(H,54,67)(H,55,68)(H,56,66)/t28-,29-,30-,34+,35+,36+,37+,38+,40-,41+,42+,43+/m1/s1
+CH$LINK: INCHIKEY NCTMHAKMWCIMCA-KPQXWPPMSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 70-1060
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.814 min
+MS$FOCUSED_ION: BASE_PEAK 1019.5094
+MS$FOCUSED_ION: PRECURSOR_M/Z 1019.5095
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 273247482.03
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03dr-3900000000-d922ea5cdd042f34da0f
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  71.0239 HN5- 1 71.0237 2.25
+  72.0077 N4O- 1 72.0078 -0.86
+  73.0394 H3N5- 1 73.0394 0.56
+  74.0234 H2N4O- 1 74.0234 -0.28
+  82.0159 CN5- 1 82.0159 0.32
+  82.0285 C2H2N4- 1 82.0285 0.1
+  83.0238 CHN5- 1 83.0237 0.23
+  84.0077 CN4O- 1 84.0078 -0.34
+  85.0394 CH3N5- 1 85.0394 0.23
+  86.0598 C2H6N4- 1 86.0598 0.1
+  87.0551 CH5N5- 1 87.055 0.13
+  93.0332 C4H3N3- 1 93.0332 -0.14
+  94.0286 C3H2N4- 1 94.0285 0.6
+  95.0238 C2HN5- 1 95.0237 0.2
+  96.0318 C2H2N5- 1 96.0316 2.32
+  96.0441 C3H4N4- 1 96.0441 -0.57
+  97.0393 C2H3N5- 1 97.0394 -0.88
+  98.0233 C2H2N4O- 1 98.0234 -1.53
+  99.0187 CHN5O- 1 99.0187 0.56
+  99.0551 C2H5N5- 1 99.055 0.24
+  107.0487 C5H5N3- 1 107.0489 -1.36
+  108.0078 C3N4O- 1 108.0078 0.2
+  108.0319 C3H2N5- 1 108.0316 2.76
+  108.044 C4H4N4- 1 108.0441 -1.22
+  109.0394 C3H3N5- 1 109.0394 -0.04
+  110.0107 C2N5O- 1 110.0108 -1.22
+  111.0187 C2HN5O- 1 111.0187 0.34
+  111.055 C3H5N5- 1 111.055 -0.7
+  112.0265 C2H2N5O- 1 112.0265 -0.09
+  112.0503 C2H4N6- 1 112.0503 0.13
+  113.0344 C2H3N5O- 1 113.0343 0.39
+  113.0707 C3H7N5- 1 113.0707 0.04
+  114.0547 C3H6N4O- 1 114.0547 -0.03
+  117.0332 C6H3N3- 1 117.0332 -0.06
+  119.049 C6H5N3- 1 119.0489 0.48
+  121.0394 C4H3N5- 1 121.0394 -0.27
+  122.047 C4H4N5- 1 122.0472 -1.88
+  123.0311 C4H3N4O- 1 123.0312 -1
+  123.055 C4H5N5- 1 123.055 -0.05
+  124.0391 C4H4N4O- 1 124.0391 0.44
+  125.0343 C3H3N5O- 1 125.0343 0.11
+  125.071 C4H7N5- 1 125.0707 2.24
+  127.05 C3H5N5O- 1 127.05 0.3
+  127.0869 C4H9N5- 1 127.0863 4.25
+  130.0861 C4H10N4O- 1 130.086 0.46
+  135.055 C5H5N5- 1 135.055 -0.68
+  136.0394 C5H4N4O- 1 136.0391 2.81
+  137.0342 C4H3N5O- 1 137.0343 -1.13
+  138.066 C4H6N6- 1 138.0659 0.66
+  139.0497 C4H5N5O- 1 139.05 -1.65
+  143.1178 C5H13N5- 1 143.1176 1.35
+  144.0766 C3H8N6O- 1 144.0765 0.63
+  151.0498 C5H5N5O- 1 151.05 -0.96
+  152.0817 C5H8N6- 1 152.0816 0.65
+  153.0658 C5H7N5O- 1 153.0656 1.22
+  155.118 C6H13N5- 1 155.1176 2.4
+  157.1334 C6H15N5- 1 157.1333 0.89
+  170.0561 C4H6N6O2- 1 170.0558 1.64
+  170.0921 C5H10N6O- 1 170.0922 -0.47
+  177.1023 C8H11N5- 1 177.102 1.86
+  183.0638 C5H7N6O2- 1 183.0636 1.31
+  184.0718 C5H8N6O2- 1 184.0714 2.08
+  184.1079 C6H12N6O- 1 184.1078 0.62
+  199.0866 C10H9N5- 1 199.0863 1.12
+  201.0991 C7H13N4O3- 1 201.0993 -0.94
+  209.103 C7H11N7O- 2 209.1031 -0.09
+  217.0965 C10H11N5O- 3 217.0969 -2.05
+  235.1188 C10H19O6- 2 235.1187 0.48
+  248.1398 C11H16N6O- 3 248.1391 2.76
+PK$NUM_PEAK: 69
+PK$PEAK: m/z int. rel.int.
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+  96.0441 191929.6 29
+  97.0393 752904.9 114
+  98.0233 69879.3 10
+  99.0187 586817.9 89
+  99.0551 395958.9 60
+  107.0487 355222.2 53
+  108.0078 85144.8 12
+  108.0319 302592.7 45
+  108.044 178538.7 27
+  109.0394 421106.2 63
+  110.0107 132378.8 20
+  111.0187 1386679.6 210
+  111.055 433272.1 65
+  112.0265 287197.3 43
+  112.0503 521497.1 79
+  113.0344 5144555 781
+  113.0707 5929978 901
+  114.0547 138344.5 21
+  117.0332 197372.9 29
+  119.049 5060330 768
+  121.0394 1064568.9 161
+  122.047 120055.6 18
+  123.0311 113779 17
+  123.055 575943.2 87
+  124.0391 200867 30
+  125.0343 983096.2 149
+  125.071 499532.6 75
+  127.05 1727895.2 262
+  127.0869 141211.6 21
+  130.0861 2913651.2 442
+  135.055 120491.5 18
+  136.0394 168326.8 25
+  137.0342 165451.5 25
+  138.066 1183734.8 179
+  139.0497 478834.9 72
+  143.1178 834543.2 126
+  144.0766 4004833 608
+  151.0498 133351.9 20
+  152.0817 207127 31
+  153.0658 900370.6 136
+  155.118 180813.2 27
+  157.1334 226153.1 34
+  170.0561 156886.6 23
+  170.0921 2109223.5 320
+  177.1023 412523.4 62
+  183.0638 111712 16
+  184.0718 234257 35
+  184.1079 243743.1 37
+  199.0866 145526.7 22
+  201.0991 210368.8 31
+  209.103 618249.2 93
+  217.0965 393894.2 59
+  235.1188 564306.3 85
+  248.1398 499721.7 75
+//
diff --git a/Eawag/MSBNK-MLU-ED234159.txt b/Eawag/MSBNK-MLU-ED234159.txt
new file mode 100644
index 0000000000..ee844ea864
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED234159.txt
@@ -0,0 +1,147 @@
+ACCESSION: MSBNK-MLU-ED234159
+RECORD_TITLE: Insulapeptolide E; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], C. Mehner [dtc], G. M. Koenig  [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2341
+CH$NAME: Insulapeptolide E
+CH$NAME: (S)-N-((S)-1-(((1S,2S,5S,8S,11R,12S,15S,18S,21R)-8-((R)-sec-butyl)-21-hydroxy-5-(4-hydroxybenzyl)-2-((R)-1-hydroxyethyl)-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-15-phenethyl-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-hydroxy-1-oxopropan-2-yl)-1-butyrylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C51H72N8O14
+CH$EXACT_MASS: 1020.516799
+CH$SMILES: CCCC(N1[C@H](C(N[C@H](C(N[C@@H]([C@H](OC([C@H]([C@H](C)CC)N2)=O)C)C(N[C@@H](CCC3=CC=CC=C3)C(N[C@@H]4C([N@@]([C@H](C(N(C)[C@H](C2=O)CC5=CC=C(O)C=C5)=O)[C@@H](C)O)[C@H](O)CC4)=O)=O)=O)=O)CO)=O)CCC1)=O
+CH$IUPAC: InChI=1S/C51H72N8O14/c1-7-13-39(63)58-25-12-16-37(58)46(67)54-36(27-60)45(66)56-42-30(5)73-51(72)41(28(3)8-2)55-47(68)38(26-32-17-20-33(62)21-18-32)57(6)50(71)43(29(4)61)59-40(64)24-23-35(49(59)70)53-44(65)34(52-48(42)69)22-19-31-14-10-9-11-15-31/h9-11,14-15,17-18,20-21,28-30,34-38,40-43,60-62,64H,7-8,12-13,16,19,22-27H2,1-6H3,(H,52,69)(H,53,65)(H,54,67)(H,55,68)(H,56,66)/t28-,29-,30-,34+,35+,36+,37+,38+,40-,41+,42+,43+/m1/s1
+CH$LINK: INCHIKEY NCTMHAKMWCIMCA-KPQXWPPMSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 70-1060
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.814 min
+MS$FOCUSED_ION: BASE_PEAK 1019.5094
+MS$FOCUSED_ION: PRECURSOR_M/Z 1019.5095
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 273247482.03
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03y0-5900000000-1512a8c624949796a2b2
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  73.0394 H3N5- 1 73.0394 -0.17
+  74.0234 H2N4O- 1 74.0234 0.03
+  82.016 CN5- 1 82.0159 0.6
+  82.0285 C2H2N4- 1 82.0285 -0.27
+  83.0238 CHN5- 1 83.0237 0.14
+  84.0077 CN4O- 1 84.0078 -0.34
+  84.0445 C2H4N4- 1 84.0441 4.01
+  85.0394 CH3N5- 1 85.0394 -0.31
+  86.0598 C2H6N4- 1 86.0598 0.63
+  87.055 CH5N5- 1 87.055 -0.05
+  93.0332 C4H3N3- 1 93.0332 -0.46
+  95.0238 C2HN5- 1 95.0237 0.2
+  96.032 C2H2N5- 1 96.0316 4.22
+  96.0442 C3H4N4- 1 96.0441 0.38
+  97.0395 C2H3N5- 1 97.0394 0.77
+  99.0186 CHN5O- 1 99.0187 -1.06
+  99.0551 C2H5N5- 1 99.055 0.39
+  107.0493 C5H5N3- 1 107.0489 3.48
+  108.0077 C3N4O- 1 108.0078 -0.44
+  108.0315 C3H2N5- 1 108.0316 -0.35
+  108.0437 C4H4N4- 1 108.0441 -3.84
+  109.0156 C3HN4O- 1 109.0156 0.37
+  109.0394 C3H3N5- 1 109.0394 -0.18
+  110.0109 C2N5O- 1 110.0108 0.79
+  111.0186 C2HN5O- 1 111.0187 -0.14
+  111.0551 C3H5N5- 1 111.055 0.33
+  112.0388 C3H4N4O- 1 112.0391 -2.36
+  112.0503 C2H4N6- 1 112.0503 0.13
+  113.0343 C2H3N5O- 1 113.0343 0.26
+  113.0707 C3H7N5- 1 113.0707 0.25
+  117.0337 C6H3N3- 1 117.0332 3.52
+  119.0489 C6H5N3- 1 119.0489 0.23
+  120.0444 C5H4N4- 1 120.0441 2.04
+  121.0394 C4H3N5- 1 121.0394 0.11
+  123.0551 C4H5N5- 1 123.055 0.44
+  124.0263 C3H2N5O- 1 124.0265 -1.63
+  125.0346 C3H3N5O- 1 125.0343 2
+  125.0707 C4H7N5- 1 125.0707 0.41
+  127.05 C3H5N5O- 1 127.05 0.54
+  130.061 C2H6N6O- 1 130.0609 0.86
+  130.0861 C4H10N4O- 1 130.086 0.82
+  137.034 C4H3N5O- 1 137.0343 -2.14
+  137.0705 C5H7N5- 1 137.0707 -1.2
+  138.0661 C4H6N6- 1 138.0659 1.33
+  139.0501 C4H5N5O- 1 139.05 0.98
+  143.1177 C5H13N5- 1 143.1176 0.6
+  144.0766 C3H8N6O- 1 144.0765 0.73
+  153.0662 C5H7N5O- 2 153.0656 4.11
+  157.1332 C6H15N5- 1 157.1333 -0.76
+  170.0925 C5H10N6O- 1 170.0922 1.77
+  199.0862 C10H9N5- 1 199.0863 -0.87
+  209.1027 C7H11N7O- 3 209.1031 -1.91
+  235.1182 C9H13N7O- 3 235.1187 -2.22
+PK$NUM_PEAK: 53
+PK$PEAK: m/z int. rel.int.
+  73.0394 1442736.9 234
+  74.0234 184298.4 29
+  82.016 112728.8 18
+  82.0285 175933.1 28
+  83.0238 1225460 199
+  84.0077 420263.5 68
+  84.0445 80603 13
+  85.0394 1478730.6 240
+  86.0598 265238.1 43
+  87.055 6144191 999
+  93.0332 652257.1 106
+  95.0238 645660.1 104
+  96.032 74104.3 12
+  96.0442 95163 15
+  97.0395 634054.6 103
+  99.0186 404413.5 65
+  99.0551 243690.5 39
+  107.0493 305402.8 49
+  108.0077 100809.1 16
+  108.0315 239122.4 38
+  108.0437 84233.6 13
+  109.0156 77130.1 12
+  109.0394 322652.5 52
+  110.0109 119964.8 19
+  111.0186 1076244.9 174
+  111.0551 477473.8 77
+  112.0388 82560 13
+  112.0503 468310.9 76
+  113.0343 2980142.8 484
+  113.0707 3883567.5 631
+  117.0337 171293 27
+  119.0489 4196500 682
+  120.0444 87716.4 14
+  121.0394 842746.8 137
+  123.0551 224788.9 36
+  124.0263 114088.7 18
+  125.0346 436007.4 70
+  125.0707 385236.3 62
+  127.05 859202.6 139
+  130.061 157803.1 25
+  130.0861 1449160.2 235
+  137.034 104383.8 16
+  137.0705 142451 23
+  138.0661 667490.8 108
+  139.0501 201219.2 32
+  143.1177 686875.2 111
+  144.0766 1678685.6 272
+  153.0662 422092 68
+  157.1332 116034.3 18
+  170.0925 635746.7 103
+  199.0862 81229.6 13
+  209.1027 317682 51
+  235.1182 128954.8 20
+//
diff --git a/Eawag/MSBNK-MLU-ED234201.txt b/Eawag/MSBNK-MLU-ED234201.txt
new file mode 100644
index 0000000000..a9307e7d69
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED234201.txt
@@ -0,0 +1,83 @@
+ACCESSION: MSBNK-MLU-ED234201
+RECORD_TITLE: Insulapeptolide F; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], C. Mehner [dtc], G. M. Koenig  [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2342
+CH$NAME: Insulapeptolide F
+CH$NAME: (S)-1-butyryl-N-((S)-3-hydroxy-1-(((1S,2S,5S,8S,11R,12S,15S,18S,21R)-21-hydroxy-5-(4-hydroxybenzyl)-2-((R)-1-hydroxyethyl)-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-15-phenethyl-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-1-oxopropan-2-yl)pyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C50H70N8O14
+CH$EXACT_MASS: 1006.501149
+CH$SMILES: CCCC(N1[C@H](C(N[C@H](C(N[C@@H]([C@H](OC([C@H](C(C)C)N2)=O)C)C(N[C@@H](CCC3=CC=CC=C3)C(N[C@@H]4C([N@@]([C@H](C(N(C)[C@H](C2=O)CC5=CC=C(O)C=C5)=O)[C@@H](C)O)[C@H](O)CC4)=O)=O)=O)=O)CO)=O)CCC1)=O
+CH$IUPAC: InChI=1S/C50H70N8O14/c1-7-12-38(62)57-24-11-15-36(57)45(66)53-35(26-59)44(65)55-41-29(5)72-50(71)40(27(2)3)54-46(67)37(25-31-16-19-32(61)20-17-31)56(6)49(70)42(28(4)60)58-39(63)23-22-34(48(58)69)52-43(64)33(51-47(41)68)21-18-30-13-9-8-10-14-30/h8-10,13-14,16-17,19-20,27-29,33-37,39-42,59-61,63H,7,11-12,15,18,21-26H2,1-6H3,(H,51,68)(H,52,64)(H,53,66)(H,54,67)(H,55,65)/t28-,29-,33+,34+,35+,36+,37+,39-,40+,41+,42+/m1/s1
+CH$LINK: INCHIKEY YGYHKTCZYNOIBL-RAKGUDTISA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 69-1045
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.600 min
+MS$FOCUSED_ION: BASE_PEAK 989.498
+MS$FOCUSED_ION: PRECURSOR_M/Z 1007.5084
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 372762296.53
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-000j-0002600239-5f26b255e92176554580
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  140.1064 C8H14NO+ 1 140.107 -4.17
+  168.1015 C9H14NO2+ 1 168.1019 -2.42
+  338.1716 C2H26N8O11+ 5 338.1716 0.25
+  374.172 C20H20N7O+ 6 374.1724 -1.07
+  473.2395 C24H33N4O6+ 6 473.2395 0.02
+  481.2446 C26H33N4O5+ 7 481.2445 0.15
+  491.2501 C24H35N4O7+ 7 491.25 0.25
+  499.2549 C26H35N4O6+ 7 499.2551 -0.44
+  517.2647 C25H41O11+ 7 517.2643 0.64
+  553.2659 C29H37N4O7+ 8 553.2657 0.41
+  634.3248 C36H46N2O8+ 9 634.3249 -0.11
+  717.3609 C38H49N6O8+ 9 717.3606 0.43
+  735.3708 C38H51N6O9+ 10 735.3712 -0.5
+  822.4021 C41H56N7O11+ 6 822.4032 -1.36
+  854.408 C45H56N7O10+ 6 854.4083 -0.38
+  872.4187 C45H58N7O11+ 6 872.4189 -0.15
+  890.4291 C45H60N7O12+ 5 890.4294 -0.42
+  953.4761 C47H67N7O14+ 2 953.4741 2.1
+  961.504 C49H69N8O12+ 1 961.5029 1.11
+  971.4865 C50H67N8O12+ 1 971.4873 -0.82
+  989.4973 C50H69N8O13+ 1 989.4979 -0.61
+PK$NUM_PEAK: 21
+PK$PEAK: m/z int. rel.int.
+  140.1064 1865609.8 39
+  168.1015 4719701 100
+  338.1716 13067227 279
+  374.172 7660445.5 163
+  473.2395 1256598.8 26
+  481.2446 2087054.9 44
+  491.2501 2161071.5 46
+  499.2549 46738440 999
+  517.2647 3057075.2 65
+  553.2659 1345643.5 28
+  634.3248 800545.8 17
+  717.3609 2182247.8 46
+  735.3708 12929764 276
+  822.4021 1908126.2 40
+  854.408 3927676 83
+  872.4187 5142440 109
+  890.4291 14149613 302
+  953.4761 1314720.1 28
+  961.504 1920345.1 41
+  971.4865 20997180 448
+  989.4973 43471460 929
+//
diff --git a/Eawag/MSBNK-MLU-ED234202.txt b/Eawag/MSBNK-MLU-ED234202.txt
new file mode 100644
index 0000000000..7e406e62ba
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED234202.txt
@@ -0,0 +1,107 @@
+ACCESSION: MSBNK-MLU-ED234202
+RECORD_TITLE: Insulapeptolide F; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], C. Mehner [dtc], G. M. Koenig  [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2342
+CH$NAME: Insulapeptolide F
+CH$NAME: (S)-1-butyryl-N-((S)-3-hydroxy-1-(((1S,2S,5S,8S,11R,12S,15S,18S,21R)-21-hydroxy-5-(4-hydroxybenzyl)-2-((R)-1-hydroxyethyl)-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-15-phenethyl-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-1-oxopropan-2-yl)pyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C50H70N8O14
+CH$EXACT_MASS: 1006.501149
+CH$SMILES: CCCC(N1[C@H](C(N[C@H](C(N[C@@H]([C@H](OC([C@H](C(C)C)N2)=O)C)C(N[C@@H](CCC3=CC=CC=C3)C(N[C@@H]4C([N@@]([C@H](C(N(C)[C@H](C2=O)CC5=CC=C(O)C=C5)=O)[C@@H](C)O)[C@H](O)CC4)=O)=O)=O)=O)CO)=O)CCC1)=O
+CH$IUPAC: InChI=1S/C50H70N8O14/c1-7-12-38(62)57-24-11-15-36(57)45(66)53-35(26-59)44(65)55-41-29(5)72-50(71)40(27(2)3)54-46(67)37(25-31-16-19-32(61)20-17-31)56(6)49(70)42(28(4)60)58-39(63)23-22-34(48(58)69)52-43(64)33(51-47(41)68)21-18-30-13-9-8-10-14-30/h8-10,13-14,16-17,19-20,27-29,33-37,39-42,59-61,63H,7,11-12,15,18,21-26H2,1-6H3,(H,51,68)(H,52,64)(H,53,66)(H,54,67)(H,55,65)/t28-,29-,33+,34+,35+,36+,37+,39-,40+,41+,42+/m1/s1
+CH$LINK: INCHIKEY YGYHKTCZYNOIBL-RAKGUDTISA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 69-1045
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.600 min
+MS$FOCUSED_ION: BASE_PEAK 989.498
+MS$FOCUSED_ION: PRECURSOR_M/Z 1007.5084
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 372762296.53
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00dr-0309310132-db761e8f7f2b19fb991a
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  134.0959 C9H12N+ 1 134.0964 -4.02
+  140.1067 C8H14NO+ 1 140.107 -1.77
+  150.091 C9H12NO+ 1 150.0913 -2
+  168.1017 C9H14NO2+ 1 168.1019 -1.24
+  179.0808 C9H11N2O2+ 2 179.0815 -4.05
+  197.092 C9H13N2O3+ 1 197.0921 -0.2
+  255.1333 C12H19N2O4+ 2 255.1339 -2.6
+  295.1661 C16H19N6+ 4 295.1666 -1.54
+  320.1609 C2H24N8O10+ 6 320.161 -0.35
+  338.1717 C2H26N8O11+ 5 338.1716 0.52
+  374.1722 C20H20N7O+ 6 374.1724 -0.5
+  453.249 C10H39N5O14+ 8 453.2488 0.4
+  481.2444 C26H33N4O5+ 7 481.2445 -0.23
+  491.25 C24H35N4O7+ 7 491.25 0
+  499.255 C26H35N4O6+ 6 499.2551 -0.14
+  507.2602 C28H35N4O5+ 7 507.2602 0
+  517.2648 C25H41O11+ 7 517.2643 0.88
+  535.2549 C29H35N4O6+ 7 535.2551 -0.47
+  553.2654 C29H37N4O7+ 8 553.2657 -0.58
+  618.2923 C33H40N5O7+ 9 618.2922 0.05
+  634.325 C36H46N2O8+ 9 634.3249 0.18
+  636.3025 C47H40O2+ 9 636.3023 0.38
+  717.36 C38H49N6O8+ 10 717.3606 -0.85
+  735.3709 C38H51N6O9+ 9 735.3712 -0.42
+  822.4036 C41H56N7O11+ 6 822.4032 0.42
+  826.4135 C45H62O14+ 8 826.4134 0.08
+  854.408 C45H56N7O10+ 6 854.4083 -0.38
+  872.4189 C45H58N7O11+ 6 872.4189 0.06
+  890.4292 C45H60N7O12+ 5 890.4294 -0.28
+  953.4742 C47H67N7O14+ 2 953.4741 0.11
+  961.5018 C49H69N8O12+ 1 961.5029 -1.18
+  971.4869 C50H67N8O12+ 1 971.4873 -0.44
+  989.4974 C50H69N8O13+ 1 989.4979 -0.49
+PK$NUM_PEAK: 33
+PK$PEAK: m/z int. rel.int.
+  134.0959 653469.3 19
+  140.1067 7846218.5 233
+  150.091 1967712.4 58
+  168.1017 14173148 421
+  179.0808 411035.9 12
+  197.092 599193.2 17
+  255.1333 1120491.8 33
+  295.1661 850959.7 25
+  320.1609 19972578 594
+  338.1717 33589904 999
+  374.1722 18813196 559
+  453.249 1441288.9 42
+  481.2444 5516597 164
+  491.25 912984.6 27
+  499.255 21847792 649
+  507.2602 1142582.6 33
+  517.2648 1815778.4 54
+  535.2549 7998706.5 237
+  553.2654 4024096.5 119
+  618.2923 1281167.9 38
+  634.325 1060297.8 31
+  636.3025 1555355.2 46
+  717.36 7671185 228
+  735.3709 6654303 197
+  822.4036 1373097.2 40
+  826.4135 3545822.2 105
+  854.408 7079366 210
+  872.4189 6961583.5 207
+  890.4292 7268580.5 216
+  953.4742 1646029.1 48
+  961.5018 2036239.2 60
+  971.4869 9388093 279
+  989.4974 5140512 152
+//
diff --git a/Eawag/MSBNK-MLU-ED234203.txt b/Eawag/MSBNK-MLU-ED234203.txt
new file mode 100644
index 0000000000..b5f7f71689
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED234203.txt
@@ -0,0 +1,115 @@
+ACCESSION: MSBNK-MLU-ED234203
+RECORD_TITLE: Insulapeptolide F; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], C. Mehner [dtc], G. M. Koenig  [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2342
+CH$NAME: Insulapeptolide F
+CH$NAME: (S)-1-butyryl-N-((S)-3-hydroxy-1-(((1S,2S,5S,8S,11R,12S,15S,18S,21R)-21-hydroxy-5-(4-hydroxybenzyl)-2-((R)-1-hydroxyethyl)-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-15-phenethyl-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-1-oxopropan-2-yl)pyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C50H70N8O14
+CH$EXACT_MASS: 1006.501149
+CH$SMILES: CCCC(N1[C@H](C(N[C@H](C(N[C@@H]([C@H](OC([C@H](C(C)C)N2)=O)C)C(N[C@@H](CCC3=CC=CC=C3)C(N[C@@H]4C([N@@]([C@H](C(N(C)[C@H](C2=O)CC5=CC=C(O)C=C5)=O)[C@@H](C)O)[C@H](O)CC4)=O)=O)=O)=O)CO)=O)CCC1)=O
+CH$IUPAC: InChI=1S/C50H70N8O14/c1-7-12-38(62)57-24-11-15-36(57)45(66)53-35(26-59)44(65)55-41-29(5)72-50(71)40(27(2)3)54-46(67)37(25-31-16-19-32(61)20-17-31)56(6)49(70)42(28(4)60)58-39(63)23-22-34(48(58)69)52-43(64)33(51-47(41)68)21-18-30-13-9-8-10-14-30/h8-10,13-14,16-17,19-20,27-29,33-37,39-42,59-61,63H,7,11-12,15,18,21-26H2,1-6H3,(H,51,68)(H,52,64)(H,53,66)(H,54,67)(H,55,65)/t28-,29-,33+,34+,35+,36+,37+,39-,40+,41+,42+/m1/s1
+CH$LINK: INCHIKEY YGYHKTCZYNOIBL-RAKGUDTISA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 69-1045
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.600 min
+MS$FOCUSED_ION: BASE_PEAK 989.498
+MS$FOCUSED_ION: PRECURSOR_M/Z 1007.5084
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 372762296.53
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00xr-0609110000-ae9d7270a64fe56b0ff1
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  70.065 C4H8N+ 1 70.0651 -1.96
+  134.0963 C9H12N+ 1 134.0964 -1.06
+  140.1068 C8H14NO+ 1 140.107 -1.12
+  150.0912 C9H12NO+ 1 150.0913 -0.78
+  168.1018 C9H14NO2+ 1 168.1019 -0.78
+  179.0813 C9H11N2O2+ 1 179.0815 -1.41
+  196.0966 C10H14NO3+ 1 196.0968 -0.99
+  197.0918 C9H13N2O3+ 1 197.0921 -1.51
+  237.1232 C12H17N2O3+ 1 237.1234 -0.64
+  245.1282 C14H17N2O2+ 4 245.1285 -0.97
+  255.133 C10H17N5O3+ 2 255.1326 1.76
+  295.1669 C3H27N4O11+ 4 295.1671 -0.69
+  320.161 C2H24N8O10+ 6 320.161 0.03
+  330.1463 C19H22O5+ 6 330.1462 0.32
+  338.1718 C2H26N8O11+ 5 338.1716 0.7
+  346.177 C4H26N8O10+ 5 346.1766 1.16
+  356.1578 C16H24N2O7+ 4 356.1578 0.06
+  358.1769 C5H26N8O10+ 6 358.1766 0.72
+  374.1723 C20H20N7O+ 6 374.1724 -0.25
+  453.2498 C25H33N4O4+ 7 453.2496 0.32
+  473.24 C24H33N4O6+ 7 473.2395 1.18
+  481.2447 C26H33N4O5+ 7 481.2445 0.22
+  490.2338 C28H32N3O5+ 7 490.2336 0.36
+  499.2549 C26H35N4O6+ 7 499.2551 -0.38
+  507.2601 C28H35N4O5+ 7 507.2602 -0.19
+  535.255 C29H35N4O6+ 7 535.2551 -0.24
+  553.2656 C29H37N4O7+ 9 553.2657 -0.14
+  618.2923 C33H40N5O7+ 9 618.2922 0.15
+  636.302 C47H40O2+ 8 636.3023 -0.39
+  687.3142 C36H43N6O8+ 8 687.3137 0.73
+  717.3606 C38H49N6O8+ 9 717.3606 0
+  735.3707 C38H51N6O9+ 10 735.3712 -0.67
+  854.4078 C45H56N7O10+ 6 854.4083 -0.66
+  872.4176 C45H58N7O11+ 5 872.4189 -1.48
+  890.4291 C45H60N7O12+ 5 890.4294 -0.42
+  953.4697 C47H67N7O14+ 1 953.4741 -4.56
+  971.4827 C50H67N8O12+ 1 971.4873 -4.71
+PK$NUM_PEAK: 37
+PK$PEAK: m/z int. rel.int.
+  70.065 8655280 229
+  134.0963 1396797.5 37
+  140.1068 17128816 454
+  150.0912 9390965 249
+  168.1018 26958786 715
+  179.0813 1469356.8 38
+  196.0966 571217.1 15
+  197.0918 3456134.5 91
+  237.1232 662399.1 17
+  245.1282 390931.2 10
+  255.133 1213906.8 32
+  295.1669 1585559.4 42
+  320.161 37656980 999
+  330.1463 1220376.1 32
+  338.1718 21582846 572
+  346.177 2508201.2 66
+  356.1578 6074431 161
+  358.1769 930496.8 24
+  374.1723 17884968 474
+  453.2498 4581183.5 121
+  473.24 634790.7 16
+  481.2447 3947341.8 104
+  490.2338 2755813.8 73
+  499.2549 4365761.5 115
+  507.2601 2643969.2 70
+  535.255 5442747 144
+  553.2656 1976657 52
+  618.2923 1627234.1 43
+  636.302 1002001.2 26
+  687.3142 684363.8 18
+  717.3606 5950653 157
+  735.3707 1153618.8 30
+  854.4078 2083414.9 55
+  872.4176 1627711.6 43
+  890.4291 580756.6 15
+  953.4697 631505.6 16
+  971.4827 1124162.6 29
+//
diff --git a/Eawag/MSBNK-MLU-ED234204.txt b/Eawag/MSBNK-MLU-ED234204.txt
new file mode 100644
index 0000000000..7091cde9fc
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED234204.txt
@@ -0,0 +1,113 @@
+ACCESSION: MSBNK-MLU-ED234204
+RECORD_TITLE: Insulapeptolide F; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], C. Mehner [dtc], G. M. Koenig  [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2342
+CH$NAME: Insulapeptolide F
+CH$NAME: (S)-1-butyryl-N-((S)-3-hydroxy-1-(((1S,2S,5S,8S,11R,12S,15S,18S,21R)-21-hydroxy-5-(4-hydroxybenzyl)-2-((R)-1-hydroxyethyl)-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-15-phenethyl-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-1-oxopropan-2-yl)pyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C50H70N8O14
+CH$EXACT_MASS: 1006.501149
+CH$SMILES: CCCC(N1[C@H](C(N[C@H](C(N[C@@H]([C@H](OC([C@H](C(C)C)N2)=O)C)C(N[C@@H](CCC3=CC=CC=C3)C(N[C@@H]4C([N@@]([C@H](C(N(C)[C@H](C2=O)CC5=CC=C(O)C=C5)=O)[C@@H](C)O)[C@H](O)CC4)=O)=O)=O)=O)CO)=O)CCC1)=O
+CH$IUPAC: InChI=1S/C50H70N8O14/c1-7-12-38(62)57-24-11-15-36(57)45(66)53-35(26-59)44(65)55-41-29(5)72-50(71)40(27(2)3)54-46(67)37(25-31-16-19-32(61)20-17-31)56(6)49(70)42(28(4)60)58-39(63)23-22-34(48(58)69)52-43(64)33(51-47(41)68)21-18-30-13-9-8-10-14-30/h8-10,13-14,16-17,19-20,27-29,33-37,39-42,59-61,63H,7,11-12,15,18,21-26H2,1-6H3,(H,51,68)(H,52,64)(H,53,66)(H,54,67)(H,55,65)/t28-,29-,33+,34+,35+,36+,37+,39-,40+,41+,42+/m1/s1
+CH$LINK: INCHIKEY YGYHKTCZYNOIBL-RAKGUDTISA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 69-1045
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.600 min
+MS$FOCUSED_ION: BASE_PEAK 989.498
+MS$FOCUSED_ION: PRECURSOR_M/Z 1007.5084
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 372762296.53
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00xr-1904000000-22a0dab08691b50e9af5
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  70.0651 C4H8N+ 1 70.0651 -0.77
+  71.0491 C4H7O+ 1 71.0491 -0.89
+  134.0963 C9H12N+ 1 134.0964 -1.18
+  136.0387 C7H6NO2+ 1 136.0393 -4.8
+  140.1068 C8H14NO+ 1 140.107 -1.12
+  141.102 C7H13N2O+ 1 141.1022 -1.42
+  150.0912 C9H12NO+ 1 150.0913 -0.88
+  153.0656 C7H9N2O2+ 1 153.0659 -1.75
+  168.1017 C9H14NO2+ 1 168.1019 -0.96
+  169.0968 C8H13N2O2+ 1 169.0972 -1.82
+  179.0812 C9H11N2O2+ 1 179.0815 -1.83
+  196.0966 C10H14NO3+ 1 196.0968 -1.07
+  197.0918 C9H13N2O3+ 1 197.0921 -1.36
+  237.1227 C12H17N2O3+ 2 237.1234 -2.89
+  245.1279 C14H17N2O2+ 4 245.1285 -2.15
+  255.1339 C12H19N2O4+ 1 255.1339 -0.03
+  285.1592 C2H27N3O12+ 5 285.1589 1.08
+  292.1653 C15H22N3O3+ 5 292.1656 -0.77
+  294.145 C14H20N3O4+ 4 294.1448 0.73
+  295.1677 C3H27N4O11+ 5 295.1671 2.1
+  314.1501 C17H20N3O3+ 6 314.1499 0.62
+  320.1609 C2H24N8O10+ 6 320.161 -0.16
+  338.1717 C2H26N8O11+ 5 338.1716 0.52
+  346.1769 C4H26N8O10+ 6 346.1766 0.72
+  356.1588 C17H20N6O3+ 5 356.1591 -0.96
+  358.1765 C5H26N8O10+ 7 358.1766 -0.47
+  374.1723 C20H20N7O+ 6 374.1724 -0.33
+  434.2433 C24H30N6O2+ 7 434.2425 2
+  435.2401 C27H33NO4+ 6 435.2404 -0.77
+  453.2496 C25H33N4O4+ 8 453.2496 -0.09
+  481.2447 C26H33N4O5+ 7 481.2445 0.41
+  490.2334 C28H32N3O5+ 7 490.2336 -0.44
+  499.2548 C26H35N4O6+ 7 499.2551 -0.57
+  507.2597 C28H35N4O5+ 8 507.2602 -0.91
+  535.2547 C29H35N4O6+ 7 535.2551 -0.81
+  618.292 C33H40N5O7+ 9 618.2922 -0.34
+PK$NUM_PEAK: 36
+PK$PEAK: m/z int. rel.int.
+  70.0651 19791882 430
+  71.0491 665469.2 14
+  134.0963 2601211.5 56
+  136.0387 474273.6 10
+  140.1068 31120418 676
+  141.102 560049.1 12
+  150.0912 25274794 549
+  153.0656 871890.1 18
+  168.1017 45926668 999
+  169.0968 2901941.8 63
+  179.0812 4147885 90
+  196.0966 1237593.2 26
+  197.0918 9257789 201
+  237.1227 1841852 40
+  245.1279 577938.4 12
+  255.1339 1353331.8 29
+  285.1592 560059.2 12
+  292.1653 700296.8 15
+  294.145 988997.1 21
+  295.1677 2155708.8 46
+  314.1501 1205520.4 26
+  320.1609 33539110 729
+  338.1717 10304475 224
+  346.1769 3485463 75
+  356.1588 5032430.5 109
+  358.1765 1648122.8 35
+  374.1723 11493464 250
+  434.2433 1863764.5 40
+  435.2401 489631.4 10
+  453.2496 6059853 131
+  481.2447 1824212.4 39
+  490.2334 1452791 31
+  499.2548 1043605.9 22
+  507.2597 1491382.9 32
+  535.2547 1788959.4 38
+  618.292 920116.9 20
+//
diff --git a/Eawag/MSBNK-MLU-ED234205.txt b/Eawag/MSBNK-MLU-ED234205.txt
new file mode 100644
index 0000000000..2b669343e6
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED234205.txt
@@ -0,0 +1,119 @@
+ACCESSION: MSBNK-MLU-ED234205
+RECORD_TITLE: Insulapeptolide F; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], C. Mehner [dtc], G. M. Koenig  [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2342
+CH$NAME: Insulapeptolide F
+CH$NAME: (S)-1-butyryl-N-((S)-3-hydroxy-1-(((1S,2S,5S,8S,11R,12S,15S,18S,21R)-21-hydroxy-5-(4-hydroxybenzyl)-2-((R)-1-hydroxyethyl)-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-15-phenethyl-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-1-oxopropan-2-yl)pyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C50H70N8O14
+CH$EXACT_MASS: 1006.501149
+CH$SMILES: CCCC(N1[C@H](C(N[C@H](C(N[C@@H]([C@H](OC([C@H](C(C)C)N2)=O)C)C(N[C@@H](CCC3=CC=CC=C3)C(N[C@@H]4C([N@@]([C@H](C(N(C)[C@H](C2=O)CC5=CC=C(O)C=C5)=O)[C@@H](C)O)[C@H](O)CC4)=O)=O)=O)=O)CO)=O)CCC1)=O
+CH$IUPAC: InChI=1S/C50H70N8O14/c1-7-12-38(62)57-24-11-15-36(57)45(66)53-35(26-59)44(65)55-41-29(5)72-50(71)40(27(2)3)54-46(67)37(25-31-16-19-32(61)20-17-31)56(6)49(70)42(28(4)60)58-39(63)23-22-34(48(58)69)52-43(64)33(51-47(41)68)21-18-30-13-9-8-10-14-30/h8-10,13-14,16-17,19-20,27-29,33-37,39-42,59-61,63H,7,11-12,15,18,21-26H2,1-6H3,(H,51,68)(H,52,64)(H,53,66)(H,54,67)(H,55,65)/t28-,29-,33+,34+,35+,36+,37+,39-,40+,41+,42+/m1/s1
+CH$LINK: INCHIKEY YGYHKTCZYNOIBL-RAKGUDTISA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 69-1045
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.600 min
+MS$FOCUSED_ION: BASE_PEAK 989.498
+MS$FOCUSED_ION: PRECURSOR_M/Z 1007.5084
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 372762296.53
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0g4l-2900000000-60b4a1a03d9ebffa606d
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  70.0651 C4H8N+ 1 70.0651 0.21
+  74.06 C3H8NO+ 1 74.06 -0.8
+  80.0494 C5H6N+ 1 80.0495 -1.45
+  84.0443 C4H6NO+ 1 84.0444 -1.16
+  91.054 C7H7+ 1 91.0542 -2.68
+  117.0698 C9H9+ 1 117.0699 -0.88
+  123.0919 C7H11N2+ 1 123.0917 1.45
+  124.0755 C7H10NO+ 1 124.0757 -1.2
+  126.0913 C7H12NO+ 1 126.0913 -0.05
+  134.0963 C9H12N+ 1 134.0964 -0.72
+  136.0391 C7H6NO2+ 1 136.0393 -1.32
+  140.1068 C8H14NO+ 1 140.107 -1.23
+  141.1019 C7H13N2O+ 1 141.1022 -2.17
+  150.0912 C9H12NO+ 1 150.0913 -1.09
+  151.0863 C8H11N2O+ 1 151.0866 -1.86
+  153.0656 C7H9N2O2+ 1 153.0659 -1.35
+  162.0548 C9H8NO2+ 1 162.055 -0.69
+  167.081 C8H11N2O2+ 2 167.0815 -3.26
+  168.1017 C9H14NO2+ 1 168.1019 -1.24
+  169.0969 C8H13N2O2+ 1 169.0972 -1.37
+  179.0812 C9H11N2O2+ 1 179.0815 -1.58
+  196.0965 C10H14NO3+ 1 196.0968 -1.69
+  197.0917 C9H13N2O3+ 1 197.0921 -1.67
+  209.1283 C11H17N2O2+ 1 209.1285 -0.54
+  216.1015 C13H14NO2+ 2 216.1019 -1.92
+  237.1228 C12H17N2O3+ 2 237.1234 -2.44
+  245.1284 C14H17N2O2+ 3 245.1285 -0.28
+  255.1326 C10H17N5O3+ 1 255.1326 0.21
+  285.1593 C2H27N3O12+ 5 285.1589 1.4
+  292.1653 C15H22N3O3+ 5 292.1656 -1.08
+  294.1437 C14H20N3O4+ 2 294.1448 -3.84
+  295.1665 C16H19N6+ 5 295.1666 -0.29
+  314.1498 C17H20N3O3+ 6 314.1499 -0.45
+  320.161 C2H24N8O10+ 6 320.161 -0.07
+  356.1602 C17H20N6O3+ 6 356.1591 3.07
+  374.1721 C20H20N7O+ 6 374.1724 -0.66
+  434.2429 C24H30N6O2+ 7 434.2425 0.94
+  435.2405 C27H33NO4+ 6 435.2404 0.14
+  453.249 C10H39N5O14+ 8 453.2488 0.33
+PK$NUM_PEAK: 39
+PK$PEAK: m/z int. rel.int.
+  70.0651 51454560 999
+  74.06 1790335.2 34
+  80.0494 691530.8 13
+  84.0443 749064.9 14
+  91.054 1459824 28
+  117.0698 1692939 32
+  123.0919 625131.7 12
+  124.0755 1301095.2 25
+  126.0913 1331132.9 25
+  134.0963 5356974.5 104
+  136.0391 1593637.8 30
+  140.1068 51365416 997
+  141.1019 2959551.5 57
+  150.0912 35663344 692
+  151.0863 3810383 73
+  153.0656 2091368.4 40
+  162.0548 575182.9 11
+  167.081 522989.2 10
+  168.1017 33077966 642
+  169.0969 11050706 214
+  179.0812 8711244 169
+  196.0965 976992.2 18
+  197.0917 10714755 208
+  209.1283 1081748 21
+  216.1015 2777232.2 53
+  237.1228 4502383.5 87
+  245.1284 700430.3 13
+  255.1326 970422.7 18
+  285.1593 1043377.5 20
+  292.1653 646513.8 12
+  294.1437 567066.7 11
+  295.1665 569421.4 11
+  314.1498 1061435.8 20
+  320.161 6174606 119
+  356.1602 953063.7 18
+  374.1721 1241080.2 24
+  434.2429 1048568.9 20
+  435.2405 859318.2 16
+  453.249 930749.1 18
+//
diff --git a/Eawag/MSBNK-MLU-ED234206.txt b/Eawag/MSBNK-MLU-ED234206.txt
new file mode 100644
index 0000000000..e500167808
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED234206.txt
@@ -0,0 +1,97 @@
+ACCESSION: MSBNK-MLU-ED234206
+RECORD_TITLE: Insulapeptolide F; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], C. Mehner [dtc], G. M. Koenig  [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2342
+CH$NAME: Insulapeptolide F
+CH$NAME: (S)-1-butyryl-N-((S)-3-hydroxy-1-(((1S,2S,5S,8S,11R,12S,15S,18S,21R)-21-hydroxy-5-(4-hydroxybenzyl)-2-((R)-1-hydroxyethyl)-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-15-phenethyl-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-1-oxopropan-2-yl)pyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C50H70N8O14
+CH$EXACT_MASS: 1006.501149
+CH$SMILES: CCCC(N1[C@H](C(N[C@H](C(N[C@@H]([C@H](OC([C@H](C(C)C)N2)=O)C)C(N[C@@H](CCC3=CC=CC=C3)C(N[C@@H]4C([N@@]([C@H](C(N(C)[C@H](C2=O)CC5=CC=C(O)C=C5)=O)[C@@H](C)O)[C@H](O)CC4)=O)=O)=O)=O)CO)=O)CCC1)=O
+CH$IUPAC: InChI=1S/C50H70N8O14/c1-7-12-38(62)57-24-11-15-36(57)45(66)53-35(26-59)44(65)55-41-29(5)72-50(71)40(27(2)3)54-46(67)37(25-31-16-19-32(61)20-17-31)56(6)49(70)42(28(4)60)58-39(63)23-22-34(48(58)69)52-43(64)33(51-47(41)68)21-18-30-13-9-8-10-14-30/h8-10,13-14,16-17,19-20,27-29,33-37,39-42,59-61,63H,7,11-12,15,18,21-26H2,1-6H3,(H,51,68)(H,52,64)(H,53,66)(H,54,67)(H,55,65)/t28-,29-,33+,34+,35+,36+,37+,39-,40+,41+,42+/m1/s1
+CH$LINK: INCHIKEY YGYHKTCZYNOIBL-RAKGUDTISA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 69-1045
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.600 min
+MS$FOCUSED_ION: BASE_PEAK 989.498
+MS$FOCUSED_ION: PRECURSOR_M/Z 1007.5084
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 372762296.53
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00di-6900000000-481a2d640b547634f6e7
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  70.0652 C4H8N+ 1 70.0651 0.43
+  71.0489 C4H7O+ 1 71.0491 -3.69
+  74.06 C3H8NO+ 1 74.06 -0.18
+  80.0494 C5H6N+ 1 80.0495 -0.79
+  84.0443 C4H6NO+ 1 84.0444 -1.16
+  91.0541 C7H7+ 1 91.0542 -1
+  117.0698 C9H9+ 1 117.0699 -0.29
+  123.0917 C7H11N2+ 1 123.0917 -0.1
+  124.0756 C7H10NO+ 1 124.0757 -0.46
+  125.0708 C6H9N2O+ 1 125.0709 -0.9
+  126.0911 C7H12NO+ 1 126.0913 -1.56
+  134.0963 C9H12N+ 1 134.0964 -0.72
+  135.0676 C8H9NO+ 1 135.0679 -1.98
+  136.0392 C7H6NO2+ 1 136.0393 -0.76
+  140.1068 C8H14NO+ 1 140.107 -1.12
+  141.1021 C7H13N2O+ 1 141.1022 -1.09
+  150.0912 C9H12NO+ 1 150.0913 -0.88
+  151.0864 C8H11N2O+ 1 151.0866 -1.16
+  153.0656 C7H9N2O2+ 1 153.0659 -1.65
+  162.0547 C9H8NO2+ 1 162.055 -1.82
+  167.0814 C8H11N2O2+ 1 167.0815 -0.7
+  168.1017 C9H14NO2+ 1 168.1019 -1.05
+  169.097 C8H13N2O2+ 1 169.0972 -1.1
+  179.0813 C9H11N2O2+ 1 179.0815 -1.32
+  197.0917 C9H13N2O3+ 2 197.0921 -1.9
+  209.1283 C11H17N2O2+ 1 209.1285 -0.69
+  216.1016 C13H14NO2+ 2 216.1019 -1.42
+  237.1228 C12H17N2O3+ 2 237.1234 -2.57
+PK$NUM_PEAK: 28
+PK$PEAK: m/z int. rel.int.
+  70.0652 99915896 999
+  71.0489 1255125.1 12
+  74.06 4525601 45
+  80.0494 2078467 20
+  84.0443 1716427.4 17
+  91.0541 4613300.5 46
+  117.0698 3797041.5 37
+  123.0917 2252647.8 22
+  124.0756 3595453.8 35
+  125.0708 1310485.8 13
+  126.0911 2390163.5 23
+  134.0963 6329821.5 63
+  135.0676 1304004.5 13
+  136.0392 2201978.5 22
+  140.1068 41675392 416
+  141.1021 5561018 55
+  150.0912 36089948 360
+  151.0864 9232277 92
+  153.0656 2197868.5 21
+  162.0547 1019357.4 10
+  167.0814 1546747.6 15
+  168.1017 11348258 113
+  169.097 13360615 133
+  179.0813 7870969 78
+  197.0917 3629326.8 36
+  209.1283 1655156.5 16
+  216.1016 3699831.5 36
+  237.1228 3656578.5 36
+//
diff --git a/Eawag/MSBNK-MLU-ED234207.txt b/Eawag/MSBNK-MLU-ED234207.txt
new file mode 100644
index 0000000000..f959396a94
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED234207.txt
@@ -0,0 +1,103 @@
+ACCESSION: MSBNK-MLU-ED234207
+RECORD_TITLE: Insulapeptolide F; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], C. Mehner [dtc], G. M. Koenig  [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2342
+CH$NAME: Insulapeptolide F
+CH$NAME: (S)-1-butyryl-N-((S)-3-hydroxy-1-(((1S,2S,5S,8S,11R,12S,15S,18S,21R)-21-hydroxy-5-(4-hydroxybenzyl)-2-((R)-1-hydroxyethyl)-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-15-phenethyl-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-1-oxopropan-2-yl)pyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C50H70N8O14
+CH$EXACT_MASS: 1006.501149
+CH$SMILES: CCCC(N1[C@H](C(N[C@H](C(N[C@@H]([C@H](OC([C@H](C(C)C)N2)=O)C)C(N[C@@H](CCC3=CC=CC=C3)C(N[C@@H]4C([N@@]([C@H](C(N(C)[C@H](C2=O)CC5=CC=C(O)C=C5)=O)[C@@H](C)O)[C@H](O)CC4)=O)=O)=O)=O)CO)=O)CCC1)=O
+CH$IUPAC: InChI=1S/C50H70N8O14/c1-7-12-38(62)57-24-11-15-36(57)45(66)53-35(26-59)44(65)55-41-29(5)72-50(71)40(27(2)3)54-46(67)37(25-31-16-19-32(61)20-17-31)56(6)49(70)42(28(4)60)58-39(63)23-22-34(48(58)69)52-43(64)33(51-47(41)68)21-18-30-13-9-8-10-14-30/h8-10,13-14,16-17,19-20,27-29,33-37,39-42,59-61,63H,7,11-12,15,18,21-26H2,1-6H3,(H,51,68)(H,52,64)(H,53,66)(H,54,67)(H,55,65)/t28-,29-,33+,34+,35+,36+,37+,39-,40+,41+,42+/m1/s1
+CH$LINK: INCHIKEY YGYHKTCZYNOIBL-RAKGUDTISA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 69-1045
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.600 min
+MS$FOCUSED_ION: BASE_PEAK 989.498
+MS$FOCUSED_ION: PRECURSOR_M/Z 1007.5084
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 372762296.53
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00di-9600000000-289fbc053a1e29be196f
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  70.0652 C4H8N+ 1 70.0651 0.54
+  71.0491 C4H7O+ 1 71.0491 -0.36
+  74.06 C3H8NO+ 1 74.06 -0.08
+  80.0494 C5H6N+ 1 80.0495 -0.5
+  82.0651 C5H8N+ 1 82.0651 -0.1
+  84.0443 C4H6NO+ 1 84.0444 -1.34
+  91.0542 C7H7+ 1 91.0542 -0.67
+  96.0807 C6H10N+ 1 96.0808 -0.91
+  106.065 C7H8N+ 1 106.0651 -1.14
+  117.0698 C9H9+ 1 117.0699 -0.35
+  119.0491 C8H7O+ 1 119.0491 -0.52
+  121.0647 C8H9O+ 1 121.0648 -0.58
+  123.0916 C7H11N2+ 1 123.0917 -0.41
+  124.0756 C7H10NO+ 1 124.0757 -0.34
+  125.0709 C6H9N2O+ 1 125.0709 -0.41
+  126.0913 C7H12NO+ 1 126.0913 -0.05
+  134.0599 C8H8NO+ 1 134.06 -0.77
+  134.0963 C9H12N+ 1 134.0964 -0.84
+  135.0678 C8H9NO+ 1 135.0679 -0.73
+  136.0391 C7H6NO2+ 1 136.0393 -1.54
+  140.1068 C8H14NO+ 1 140.107 -1.12
+  141.1021 C7H13N2O+ 1 141.1022 -0.66
+  150.0912 C9H12NO+ 1 150.0913 -0.88
+  151.0864 C8H11N2O+ 1 151.0866 -0.95
+  153.0657 C7H9N2O2+ 1 153.0659 -1.05
+  167.0815 C8H11N2O2+ 1 167.0815 -0.15
+  168.1018 C9H14NO2+ 1 168.1019 -0.87
+  169.097 C8H13N2O2+ 1 169.0972 -0.92
+  179.0812 C9H11N2O2+ 1 179.0815 -1.75
+  216.1015 C13H14NO2+ 2 216.1019 -1.99
+  237.1226 C12H17N2O3+ 2 237.1234 -3.41
+PK$NUM_PEAK: 31
+PK$PEAK: m/z int. rel.int.
+  70.0652 98646272 999
+  71.0491 1353586.9 13
+  74.06 5959420.5 60
+  80.0494 3168584.5 32
+  82.0651 1131145 11
+  84.0443 2266848 22
+  91.0542 7597077.5 76
+  96.0807 1721246.8 17
+  106.065 1386683.8 14
+  117.0698 3966905.8 40
+  119.0491 1217925.6 12
+  121.0647 1237691.5 12
+  123.0916 2957859.2 29
+  124.0756 4080515.2 41
+  125.0709 1029793.9 10
+  126.0913 1703702.2 17
+  134.0599 1222105.8 12
+  134.0963 3246874.8 32
+  135.0678 2753565 27
+  136.0391 1432469.5 14
+  140.1068 16142502 163
+  141.1021 2994427.2 30
+  150.0912 25398758 257
+  151.0864 7666941.5 77
+  153.0657 1271831.9 12
+  167.0815 1760280.1 17
+  168.1018 2602087 26
+  169.097 5149105 52
+  179.0812 2929712 29
+  216.1015 1909988.9 19
+  237.1226 1088786.9 11
+//
diff --git a/Eawag/MSBNK-MLU-ED234208.txt b/Eawag/MSBNK-MLU-ED234208.txt
new file mode 100644
index 0000000000..da0779c2a0
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED234208.txt
@@ -0,0 +1,91 @@
+ACCESSION: MSBNK-MLU-ED234208
+RECORD_TITLE: Insulapeptolide F; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], C. Mehner [dtc], G. M. Koenig  [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2342
+CH$NAME: Insulapeptolide F
+CH$NAME: (S)-1-butyryl-N-((S)-3-hydroxy-1-(((1S,2S,5S,8S,11R,12S,15S,18S,21R)-21-hydroxy-5-(4-hydroxybenzyl)-2-((R)-1-hydroxyethyl)-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-15-phenethyl-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-1-oxopropan-2-yl)pyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C50H70N8O14
+CH$EXACT_MASS: 1006.501149
+CH$SMILES: CCCC(N1[C@H](C(N[C@H](C(N[C@@H]([C@H](OC([C@H](C(C)C)N2)=O)C)C(N[C@@H](CCC3=CC=CC=C3)C(N[C@@H]4C([N@@]([C@H](C(N(C)[C@H](C2=O)CC5=CC=C(O)C=C5)=O)[C@@H](C)O)[C@H](O)CC4)=O)=O)=O)=O)CO)=O)CCC1)=O
+CH$IUPAC: InChI=1S/C50H70N8O14/c1-7-12-38(62)57-24-11-15-36(57)45(66)53-35(26-59)44(65)55-41-29(5)72-50(71)40(27(2)3)54-46(67)37(25-31-16-19-32(61)20-17-31)56(6)49(70)42(28(4)60)58-39(63)23-22-34(48(58)69)52-43(64)33(51-47(41)68)21-18-30-13-9-8-10-14-30/h8-10,13-14,16-17,19-20,27-29,33-37,39-42,59-61,63H,7,11-12,15,18,21-26H2,1-6H3,(H,51,68)(H,52,64)(H,53,66)(H,54,67)(H,55,65)/t28-,29-,33+,34+,35+,36+,37+,39-,40+,41+,42+/m1/s1
+CH$LINK: INCHIKEY YGYHKTCZYNOIBL-RAKGUDTISA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 69-1045
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.600 min
+MS$FOCUSED_ION: BASE_PEAK 989.498
+MS$FOCUSED_ION: PRECURSOR_M/Z 1007.5084
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 372762296.53
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00di-9300000000-097f56bf4bbb348ccfaf
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  70.0652 C4H8N+ 1 70.0651 0.54
+  71.0491 C4H7O+ 1 71.0491 -0.03
+  74.06 C3H8NO+ 1 74.06 -0.08
+  80.0494 C5H6N+ 1 80.0495 -0.41
+  82.0651 C5H8N+ 1 82.0651 -0.29
+  84.0444 C4H6NO+ 1 84.0444 -0.43
+  91.0542 C7H7+ 1 91.0542 -0.75
+  96.0807 C6H10N+ 1 96.0808 -0.99
+  106.0651 C7H8N+ 1 106.0651 -0.71
+  117.0698 C9H9+ 1 117.0699 -0.42
+  119.0491 C8H7O+ 1 119.0491 -0.46
+  121.0647 C8H9O+ 1 121.0648 -0.7
+  123.0916 C7H11N2+ 1 123.0917 -0.53
+  124.0756 C7H10NO+ 1 124.0757 -0.46
+  126.0913 C7H12NO+ 1 126.0913 -0.65
+  134.0599 C8H8NO+ 1 134.06 -1.34
+  134.0963 C9H12N+ 1 134.0964 -1.18
+  135.0677 C8H9NO+ 1 135.0679 -1.18
+  140.1068 C8H14NO+ 1 140.107 -1.56
+  141.1021 C7H13N2O+ 1 141.1022 -0.66
+  150.0912 C9H12NO+ 1 150.0913 -1.09
+  151.0864 C8H11N2O+ 1 151.0866 -1.56
+  167.0809 C8H11N2O2+ 2 167.0815 -3.53
+  169.097 C8H13N2O2+ 1 169.0972 -0.74
+  179.0811 C9H11N2O2+ 1 179.0815 -2.09
+PK$NUM_PEAK: 25
+PK$PEAK: m/z int. rel.int.
+  70.0652 102581240 999
+  71.0491 1789284.8 17
+  74.06 5511877.5 53
+  80.0494 5430833 52
+  82.0651 1416302 13
+  84.0444 2607566.2 25
+  91.0542 11325249 110
+  96.0807 2891589.5 28
+  106.0651 1915501.2 18
+  117.0698 3438881.8 33
+  119.0491 1960565.8 19
+  121.0647 1689397.9 16
+  123.0916 2915462.2 28
+  124.0756 4054317 39
+  126.0913 1564435 15
+  134.0599 1501627.2 14
+  134.0963 1876716.9 18
+  135.0677 4242407.5 41
+  140.1068 5431364.5 52
+  141.1021 1568217.4 15
+  150.0912 16904854 164
+  151.0864 4504146 43
+  167.0809 1081728 10
+  169.097 1606757.1 15
+  179.0811 1119613.9 10
+//
diff --git a/Eawag/MSBNK-MLU-ED234209.txt b/Eawag/MSBNK-MLU-ED234209.txt
new file mode 100644
index 0000000000..64b698164c
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED234209.txt
@@ -0,0 +1,79 @@
+ACCESSION: MSBNK-MLU-ED234209
+RECORD_TITLE: Insulapeptolide F; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], C. Mehner [dtc], G. M. Koenig  [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2342
+CH$NAME: Insulapeptolide F
+CH$NAME: (S)-1-butyryl-N-((S)-3-hydroxy-1-(((1S,2S,5S,8S,11R,12S,15S,18S,21R)-21-hydroxy-5-(4-hydroxybenzyl)-2-((R)-1-hydroxyethyl)-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-15-phenethyl-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-1-oxopropan-2-yl)pyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C50H70N8O14
+CH$EXACT_MASS: 1006.501149
+CH$SMILES: CCCC(N1[C@H](C(N[C@H](C(N[C@@H]([C@H](OC([C@H](C(C)C)N2)=O)C)C(N[C@@H](CCC3=CC=CC=C3)C(N[C@@H]4C([N@@]([C@H](C(N(C)[C@H](C2=O)CC5=CC=C(O)C=C5)=O)[C@@H](C)O)[C@H](O)CC4)=O)=O)=O)=O)CO)=O)CCC1)=O
+CH$IUPAC: InChI=1S/C50H70N8O14/c1-7-12-38(62)57-24-11-15-36(57)45(66)53-35(26-59)44(65)55-41-29(5)72-50(71)40(27(2)3)54-46(67)37(25-31-16-19-32(61)20-17-31)56(6)49(70)42(28(4)60)58-39(63)23-22-34(48(58)69)52-43(64)33(51-47(41)68)21-18-30-13-9-8-10-14-30/h8-10,13-14,16-17,19-20,27-29,33-37,39-42,59-61,63H,7,11-12,15,18,21-26H2,1-6H3,(H,51,68)(H,52,64)(H,53,66)(H,54,67)(H,55,65)/t28-,29-,33+,34+,35+,36+,37+,39-,40+,41+,42+/m1/s1
+CH$LINK: INCHIKEY YGYHKTCZYNOIBL-RAKGUDTISA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 69-1045
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.600 min
+MS$FOCUSED_ION: BASE_PEAK 989.498
+MS$FOCUSED_ION: PRECURSOR_M/Z 1007.5084
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 372762296.53
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00di-9200000000-ae2bf23d7a197d3e1d22
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  70.0652 C4H8N+ 1 70.0651 0.87
+  71.0492 C4H7O+ 1 71.0491 0.5
+  74.0601 C3H8NO+ 1 74.06 0.23
+  80.0495 C5H6N+ 1 80.0495 -0.12
+  82.0652 C5H8N+ 1 82.0651 0.55
+  84.0443 C4H6NO+ 1 84.0444 -0.61
+  91.0542 C7H7+ 1 91.0542 -0.42
+  96.0807 C6H10N+ 1 96.0808 -0.83
+  106.0651 C7H8N+ 1 106.0651 -0.28
+  107.0491 C7H7O+ 1 107.0491 -0.4
+  117.0698 C9H9+ 1 117.0699 -0.61
+  123.0916 C7H11N2+ 1 123.0917 -0.47
+  124.0756 C7H10NO+ 1 124.0757 -0.46
+  126.0911 C7H12NO+ 1 126.0913 -1.74
+  134.0599 C8H8NO+ 1 134.06 -0.77
+  135.0678 C8H9NO+ 1 135.0679 -0.85
+  140.1068 C8H14NO+ 1 140.107 -1.12
+  150.0912 C9H12NO+ 1 150.0913 -0.88
+  151.0864 C8H11N2O+ 1 151.0866 -1.06
+PK$NUM_PEAK: 19
+PK$PEAK: m/z int. rel.int.
+  70.0652 91629952 999
+  71.0492 1639477.2 17
+  74.0601 4060193 44
+  80.0495 6240882.5 68
+  82.0652 1417772 15
+  84.0443 2472501 26
+  91.0542 13855203 151
+  96.0807 3104892.2 33
+  106.0651 1564355.6 17
+  107.0491 1955341.8 21
+  117.0698 2603682.8 28
+  123.0916 1649986.9 17
+  124.0756 2986706 32
+  126.0911 1030691.1 11
+  134.0599 1479495 16
+  135.0678 5268154 57
+  140.1068 1762203.1 19
+  150.0912 8960921 97
+  151.0864 1605043.2 17
+//
diff --git a/Eawag/MSBNK-MLU-ED234251.txt b/Eawag/MSBNK-MLU-ED234251.txt
new file mode 100644
index 0000000000..181c54d745
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED234251.txt
@@ -0,0 +1,59 @@
+ACCESSION: MSBNK-MLU-ED234251
+RECORD_TITLE: Insulapeptolide F; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], C. Mehner [dtc], G. M. Koenig  [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2342
+CH$NAME: Insulapeptolide F
+CH$NAME: (S)-1-butyryl-N-((S)-3-hydroxy-1-(((1S,2S,5S,8S,11R,12S,15S,18S,21R)-21-hydroxy-5-(4-hydroxybenzyl)-2-((R)-1-hydroxyethyl)-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-15-phenethyl-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-1-oxopropan-2-yl)pyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C50H70N8O14
+CH$EXACT_MASS: 1006.501149
+CH$SMILES: CCCC(N1[C@H](C(N[C@H](C(N[C@@H]([C@H](OC([C@H](C(C)C)N2)=O)C)C(N[C@@H](CCC3=CC=CC=C3)C(N[C@@H]4C([N@@]([C@H](C(N(C)[C@H](C2=O)CC5=CC=C(O)C=C5)=O)[C@@H](C)O)[C@H](O)CC4)=O)=O)=O)=O)CO)=O)CCC1)=O
+CH$IUPAC: InChI=1S/C50H70N8O14/c1-7-12-38(62)57-24-11-15-36(57)45(66)53-35(26-59)44(65)55-41-29(5)72-50(71)40(27(2)3)54-46(67)37(25-31-16-19-32(61)20-17-31)56(6)49(70)42(28(4)60)58-39(63)23-22-34(48(58)69)52-43(64)33(51-47(41)68)21-18-30-13-9-8-10-14-30/h8-10,13-14,16-17,19-20,27-29,33-37,39-42,59-61,63H,7,11-12,15,18,21-26H2,1-6H3,(H,51,68)(H,52,64)(H,53,66)(H,54,67)(H,55,65)/t28-,29-,33+,34+,35+,36+,37+,39-,40+,41+,42+/m1/s1
+CH$LINK: INCHIKEY YGYHKTCZYNOIBL-RAKGUDTISA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 69-1045
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.621 min
+MS$FOCUSED_ION: BASE_PEAK 1005.4933
+MS$FOCUSED_ION: PRECURSOR_M/Z 1005.4939
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 523816418.3
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0bt9-9000000007-d761459297f5f450f6ea
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  642.3254 C31H44N7O8- 11 642.3257 -0.37
+  672.3372 C33H52O14- 10 672.3363 1.45
+  716.3629 C49H44N6- 9 716.3633 -0.57
+  917.4425 C48H63N5O13- 3 917.4428 -0.3
+  931.4577 C47H63N8O12- 2 931.4571 0.61
+  961.4681 C48H65N8O13- 2 961.4677 0.5
+  962.4708 C48H66N8O13- 1 962.4755 -4.91
+  975.4814 C49H67N8O13- 1 975.4833 -1.96
+  1005.4937 C50H69N8O14- 1 1005.4939 -0.16
+PK$NUM_PEAK: 9
+PK$PEAK: m/z int. rel.int.
+  642.3254 3573836.2 39
+  672.3372 2997317.8 32
+  716.3629 8037875 87
+  917.4425 3685658.8 40
+  931.4577 5906907.5 64
+  961.4681 56275272 615
+  962.4708 6158027 67
+  975.4814 3115715 34
+  1005.4937 91359184 999
+//
diff --git a/Eawag/MSBNK-MLU-ED234252.txt b/Eawag/MSBNK-MLU-ED234252.txt
new file mode 100644
index 0000000000..cfa5599173
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED234252.txt
@@ -0,0 +1,63 @@
+ACCESSION: MSBNK-MLU-ED234252
+RECORD_TITLE: Insulapeptolide F; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], C. Mehner [dtc], G. M. Koenig  [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2342
+CH$NAME: Insulapeptolide F
+CH$NAME: (S)-1-butyryl-N-((S)-3-hydroxy-1-(((1S,2S,5S,8S,11R,12S,15S,18S,21R)-21-hydroxy-5-(4-hydroxybenzyl)-2-((R)-1-hydroxyethyl)-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-15-phenethyl-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-1-oxopropan-2-yl)pyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C50H70N8O14
+CH$EXACT_MASS: 1006.501149
+CH$SMILES: CCCC(N1[C@H](C(N[C@H](C(N[C@@H]([C@H](OC([C@H](C(C)C)N2)=O)C)C(N[C@@H](CCC3=CC=CC=C3)C(N[C@@H]4C([N@@]([C@H](C(N(C)[C@H](C2=O)CC5=CC=C(O)C=C5)=O)[C@@H](C)O)[C@H](O)CC4)=O)=O)=O)=O)CO)=O)CCC1)=O
+CH$IUPAC: InChI=1S/C50H70N8O14/c1-7-12-38(62)57-24-11-15-36(57)45(66)53-35(26-59)44(65)55-41-29(5)72-50(71)40(27(2)3)54-46(67)37(25-31-16-19-32(61)20-17-31)56(6)49(70)42(28(4)60)58-39(63)23-22-34(48(58)69)52-43(64)33(51-47(41)68)21-18-30-13-9-8-10-14-30/h8-10,13-14,16-17,19-20,27-29,33-37,39-42,59-61,63H,7,11-12,15,18,21-26H2,1-6H3,(H,51,68)(H,52,64)(H,53,66)(H,54,67)(H,55,65)/t28-,29-,33+,34+,35+,36+,37+,39-,40+,41+,42+/m1/s1
+CH$LINK: INCHIKEY YGYHKTCZYNOIBL-RAKGUDTISA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 69-1045
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.621 min
+MS$FOCUSED_ION: BASE_PEAK 1005.4933
+MS$FOCUSED_ION: PRECURSOR_M/Z 1005.4939
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 523816418.3
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-08fr-4000000009-b305e3dac9e4493e7d14
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  624.3041 C32H42N5O8- 8 624.3039 0.31
+  643.3292 C40H43N4O4- 11 643.329 0.29
+  672.3372 C33H52O14- 10 672.3363 1.45
+  716.3629 C49H44N6- 10 716.3633 -0.49
+  917.4428 C48H63N5O13- 3 917.4428 0.03
+  931.4577 C47H63N8O12- 2 931.4571 0.61
+  943.4576 C48H63N8O12- 2 943.4571 0.49
+  961.468 C48H65N8O13- 2 961.4677 0.37
+  975.4836 C49H67N8O13- 1 975.4833 0.3
+  987.4822 C50H67N8O13- 1 987.4833 -1.11
+  1005.4937 C50H69N8O14- 1 1005.4939 -0.16
+PK$NUM_PEAK: 11
+PK$PEAK: m/z int. rel.int.
+  624.3041 1291461.2 29
+  643.3292 1757659.8 39
+  672.3372 2585433.2 58
+  716.3629 3122115 70
+  917.4428 2538460.2 57
+  931.4577 16506723 372
+  943.4576 3523347.8 79
+  961.468 44252948 999
+  975.4836 8281312.5 186
+  987.4822 2105415.8 47
+  1005.4937 41181864 929
+//
diff --git a/Eawag/MSBNK-MLU-ED234253.txt b/Eawag/MSBNK-MLU-ED234253.txt
new file mode 100644
index 0000000000..5909f9e6ef
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED234253.txt
@@ -0,0 +1,83 @@
+ACCESSION: MSBNK-MLU-ED234253
+RECORD_TITLE: Insulapeptolide F; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], C. Mehner [dtc], G. M. Koenig  [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2342
+CH$NAME: Insulapeptolide F
+CH$NAME: (S)-1-butyryl-N-((S)-3-hydroxy-1-(((1S,2S,5S,8S,11R,12S,15S,18S,21R)-21-hydroxy-5-(4-hydroxybenzyl)-2-((R)-1-hydroxyethyl)-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-15-phenethyl-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-1-oxopropan-2-yl)pyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C50H70N8O14
+CH$EXACT_MASS: 1006.501149
+CH$SMILES: CCCC(N1[C@H](C(N[C@H](C(N[C@@H]([C@H](OC([C@H](C(C)C)N2)=O)C)C(N[C@@H](CCC3=CC=CC=C3)C(N[C@@H]4C([N@@]([C@H](C(N(C)[C@H](C2=O)CC5=CC=C(O)C=C5)=O)[C@@H](C)O)[C@H](O)CC4)=O)=O)=O)=O)CO)=O)CCC1)=O
+CH$IUPAC: InChI=1S/C50H70N8O14/c1-7-12-38(62)57-24-11-15-36(57)45(66)53-35(26-59)44(65)55-41-29(5)72-50(71)40(27(2)3)54-46(67)37(25-31-16-19-32(61)20-17-31)56(6)49(70)42(28(4)60)58-39(63)23-22-34(48(58)69)52-43(64)33(51-47(41)68)21-18-30-13-9-8-10-14-30/h8-10,13-14,16-17,19-20,27-29,33-37,39-42,59-61,63H,7,11-12,15,18,21-26H2,1-6H3,(H,51,68)(H,52,64)(H,53,66)(H,54,67)(H,55,65)/t28-,29-,33+,34+,35+,36+,37+,39-,40+,41+,42+/m1/s1
+CH$LINK: INCHIKEY YGYHKTCZYNOIBL-RAKGUDTISA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 69-1045
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.621 min
+MS$FOCUSED_ION: BASE_PEAK 1005.4933
+MS$FOCUSED_ION: PRECURSOR_M/Z 1005.4939
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 523816418.3
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-000x-0000005009-99679552a8be5be1a28d
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  240.1335 C9H16N6O2- 2 240.134 -2.36
+  256.0963 C13H12N4O2- 4 256.0966 -1.1
+  305.1607 C14H25O7- 5 305.1606 0.34
+  323.1716 H29N5O14- 4 323.1716 -0.21
+  445.2086 C22H29N4O6- 6 445.2093 -1.42
+  463.2202 C22H31N4O7- 8 463.2198 0.82
+  514.219 C23H34N2O11- 7 514.2168 4.35
+  586.2996 C29H46O12- 9 586.2995 0.17
+  610.2869 C45H38O2- 9 610.2877 -1.3
+  624.304 C32H42N5O8- 8 624.3039 0.21
+  642.3256 C31H44N7O8- 11 642.3257 -0.18
+  643.3288 C40H43N4O4- 10 643.329 -0.28
+  707.3416 C36H47N6O9- 9 707.341 0.82
+  917.4439 C50H65N2O14- 3 917.4441 -0.23
+  931.4577 C47H63N8O12- 2 931.4571 0.68
+  932.4606 C47H64N8O12- 1 932.4649 -4.64
+  943.4575 C48H63N8O12- 2 943.4571 0.42
+  961.468 C48H65N8O13- 2 961.4677 0.37
+  962.4708 C48H66N8O13- 1 962.4755 -4.91
+  975.4837 C49H67N8O13- 1 975.4833 0.36
+  1005.4929 C50H69N8O14- 1 1005.4939 -1.01
+PK$NUM_PEAK: 21
+PK$PEAK: m/z int. rel.int.
+  240.1335 543237.9 13
+  256.0963 794751.1 19
+  305.1607 1685504 40
+  323.1716 5091704.5 123
+  445.2086 812579.1 19
+  463.2202 418240.9 10
+  514.219 854059.2 20
+  586.2996 1565477.2 37
+  610.2869 665033.4 16
+  624.304 6807922.5 164
+  642.3256 41238908 999
+  643.3288 2560607.5 62
+  707.3416 4881077 118
+  917.4439 2384219.2 57
+  931.4577 38226888 926
+  932.4606 3239968.5 78
+  943.4575 6857081 166
+  961.468 23412260 567
+  962.4708 2063378.6 49
+  975.4837 5280600.5 127
+  1005.4929 5704836.5 138
+//
diff --git a/Eawag/MSBNK-MLU-ED234254.txt b/Eawag/MSBNK-MLU-ED234254.txt
new file mode 100644
index 0000000000..ad1621d1c3
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED234254.txt
@@ -0,0 +1,135 @@
+ACCESSION: MSBNK-MLU-ED234254
+RECORD_TITLE: Insulapeptolide F; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], C. Mehner [dtc], G. M. Koenig  [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2342
+CH$NAME: Insulapeptolide F
+CH$NAME: (S)-1-butyryl-N-((S)-3-hydroxy-1-(((1S,2S,5S,8S,11R,12S,15S,18S,21R)-21-hydroxy-5-(4-hydroxybenzyl)-2-((R)-1-hydroxyethyl)-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-15-phenethyl-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-1-oxopropan-2-yl)pyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C50H70N8O14
+CH$EXACT_MASS: 1006.501149
+CH$SMILES: CCCC(N1[C@H](C(N[C@H](C(N[C@@H]([C@H](OC([C@H](C(C)C)N2)=O)C)C(N[C@@H](CCC3=CC=CC=C3)C(N[C@@H]4C([N@@]([C@H](C(N(C)[C@H](C2=O)CC5=CC=C(O)C=C5)=O)[C@@H](C)O)[C@H](O)CC4)=O)=O)=O)=O)CO)=O)CCC1)=O
+CH$IUPAC: InChI=1S/C50H70N8O14/c1-7-12-38(62)57-24-11-15-36(57)45(66)53-35(26-59)44(65)55-41-29(5)72-50(71)40(27(2)3)54-46(67)37(25-31-16-19-32(61)20-17-31)56(6)49(70)42(28(4)60)58-39(63)23-22-34(48(58)69)52-43(64)33(51-47(41)68)21-18-30-13-9-8-10-14-30/h8-10,13-14,16-17,19-20,27-29,33-37,39-42,59-61,63H,7,11-12,15,18,21-26H2,1-6H3,(H,51,68)(H,52,64)(H,53,66)(H,54,67)(H,55,65)/t28-,29-,33+,34+,35+,36+,37+,39-,40+,41+,42+/m1/s1
+CH$LINK: INCHIKEY YGYHKTCZYNOIBL-RAKGUDTISA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 69-1045
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.621 min
+MS$FOCUSED_ION: BASE_PEAK 1005.4933
+MS$FOCUSED_ION: PRECURSOR_M/Z 1005.4939
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 523816418.3
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-059x-0235019105-afa2cae65b48f052d243
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  84.0075 CN4O- 1 84.0078 -3.06
+  99.0549 C2H5N5- 1 99.055 -1.53
+  116.0704 C3H8N4O- 1 116.0704 0.16
+  119.0485 C6H5N3- 1 119.0489 -3.36
+  125.0337 C3H3N5O- 1 125.0343 -4.59
+  127.0497 C3H5N5O- 1 127.05 -2.04
+  139.0501 C4H5N5O- 1 139.05 1.09
+  140.0343 C4H4N4O2- 1 140.034 2.39
+  151.0499 C5H5N5O- 1 151.05 -0.25
+  152.0335 C5H4N4O2- 1 152.034 -2.99
+  170.0554 C4H6N6O2- 1 170.0558 -2.13
+  170.092 C5H10N6O- 1 170.0922 -1.01
+  182.0921 C6H10N6O- 1 182.0922 -0.43
+  183.1124 C7H13N5O- 1 183.1126 -1
+  184.071 C5H8N6O2- 2 184.0714 -2.48
+  217.0964 C10H11N5O- 3 217.0969 -2.19
+  223.1073 C9H13N5O2- 1 223.1075 -0.63
+  227.1133 C7H13N7O2- 3 227.1136 -1.61
+  229.0966 C11H11N5O- 3 229.0969 -1.56
+  233.0917 C10H11N5O2- 1 233.0918 -0.33
+  235.1185 C9H13N7O- 3 235.1187 -0.92
+  240.1337 C9H16N6O2- 2 240.134 -1.15
+  243.1117 C11H17NO5- 3 243.1112 1.91
+  253.1298 C10H21O7- 3 253.1293 2.12
+  256.0964 C13H12N4O2- 4 256.0966 -0.62
+  293.1495 C13H19N5O3- 3 293.1493 0.61
+  297.1552 C11H19N7O3- 3 297.1555 -0.8
+  305.1608 C14H25O7- 4 305.1606 0.74
+  306.1442 C13H18N6O3- 3 306.1446 -1.11
+  323.1715 H29N5O14- 4 323.1716 -0.4
+  327.1456 C2H25N5O13- 6 327.1454 0.43
+  350.1714 C15H22N6O4- 4 350.1708 1.79
+  362.1832 C17H24N5O4- 5 362.1834 -0.36
+  387.1659 C17H21N7O4- 5 387.1661 -0.45
+  445.209 C22H29N4O6- 6 445.2093 -0.6
+  463.2193 C22H31N4O7- 7 463.2198 -1.03
+  514.2179 C23H34N2O11- 7 514.2168 2.1
+  572.2817 C39H34N5- 9 572.282 -0.47
+  586.2996 C29H46O12- 9 586.2995 0.17
+  624.304 C32H42N5O8- 8 624.3039 0.21
+  642.3255 C31H44N7O8- 11 642.3257 -0.28
+  643.3288 C40H43N4O4- 10 643.329 -0.28
+  707.3414 C36H47N6O9- 8 707.341 0.56
+  917.4461 C50H65N2O14- 2 917.4441 2.16
+  931.4575 C47H63N8O12- 2 931.4571 0.48
+  932.462 C47H64N8O12- 2 932.4649 -3.13
+  961.4676 C48H65N8O13- 2 961.4677 -0.01
+PK$NUM_PEAK: 47
+PK$PEAK: m/z int. rel.int.
+  84.0075 457856.1 18
+  99.0549 567503.4 22
+  116.0704 1618026.8 64
+  119.0485 508571.6 20
+  125.0337 257373.5 10
+  127.0497 821871.9 32
+  139.0501 631449.8 25
+  140.0343 751053.1 30
+  151.0499 1090949.2 43
+  152.0335 339928.8 13
+  170.0554 355342.2 14
+  170.092 1019715.2 40
+  182.0921 491055.4 19
+  183.1124 1609962.2 64
+  184.071 438643.6 17
+  217.0964 1237584.2 49
+  223.1073 1819123.2 72
+  227.1133 255427.9 10
+  229.0966 536888 21
+  233.0917 1691347.5 67
+  235.1185 885273.1 35
+  240.1337 2168358 86
+  243.1117 279064.8 11
+  253.1298 863386.7 34
+  256.0964 2441124 97
+  293.1495 1745507.9 69
+  297.1552 944664.6 37
+  305.1608 7638844 305
+  306.1442 340657.1 13
+  323.1715 10087922 403
+  327.1456 255316.7 10
+  350.1714 1436925.6 57
+  362.1832 798638 31
+  387.1659 427541.5 17
+  445.209 1414286.5 56
+  463.2193 721814.6 28
+  514.2179 759450.3 30
+  572.2817 1551786 61
+  586.2996 3995214.5 159
+  624.304 8756451 349
+  642.3255 25004182 999
+  643.3288 1728185.4 69
+  707.3414 7402422 295
+  917.4461 527713.6 21
+  931.4575 18036988 720
+  932.462 1665838 66
+  961.4676 2094184.1 83
+//
diff --git a/Eawag/MSBNK-MLU-ED234255.txt b/Eawag/MSBNK-MLU-ED234255.txt
new file mode 100644
index 0000000000..aef127d2a3
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED234255.txt
@@ -0,0 +1,241 @@
+ACCESSION: MSBNK-MLU-ED234255
+RECORD_TITLE: Insulapeptolide F; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], C. Mehner [dtc], G. M. Koenig  [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2342
+CH$NAME: Insulapeptolide F
+CH$NAME: (S)-1-butyryl-N-((S)-3-hydroxy-1-(((1S,2S,5S,8S,11R,12S,15S,18S,21R)-21-hydroxy-5-(4-hydroxybenzyl)-2-((R)-1-hydroxyethyl)-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-15-phenethyl-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-1-oxopropan-2-yl)pyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C50H70N8O14
+CH$EXACT_MASS: 1006.501149
+CH$SMILES: CCCC(N1[C@H](C(N[C@H](C(N[C@@H]([C@H](OC([C@H](C(C)C)N2)=O)C)C(N[C@@H](CCC3=CC=CC=C3)C(N[C@@H]4C([N@@]([C@H](C(N(C)[C@H](C2=O)CC5=CC=C(O)C=C5)=O)[C@@H](C)O)[C@H](O)CC4)=O)=O)=O)=O)CO)=O)CCC1)=O
+CH$IUPAC: InChI=1S/C50H70N8O14/c1-7-12-38(62)57-24-11-15-36(57)45(66)53-35(26-59)44(65)55-41-29(5)72-50(71)40(27(2)3)54-46(67)37(25-31-16-19-32(61)20-17-31)56(6)49(70)42(28(4)60)58-39(63)23-22-34(48(58)69)52-43(64)33(51-47(41)68)21-18-30-13-9-8-10-14-30/h8-10,13-14,16-17,19-20,27-29,33-37,39-42,59-61,63H,7,11-12,15,18,21-26H2,1-6H3,(H,51,68)(H,52,64)(H,53,66)(H,54,67)(H,55,65)/t28-,29-,33+,34+,35+,36+,37+,39-,40+,41+,42+/m1/s1
+CH$LINK: INCHIKEY YGYHKTCZYNOIBL-RAKGUDTISA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 69-1045
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.621 min
+MS$FOCUSED_ION: BASE_PEAK 1005.4933
+MS$FOCUSED_ION: PRECURSOR_M/Z 1005.4939
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 523816418.3
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0aw9-1962000000-2cc3a2665a2409c755f0
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  73.0394 H3N5- 1 73.0394 0.14
+  74.0232 H2N4O- 1 74.0234 -3.16
+  84.0078 CN4O- 1 84.0078 0.03
+  85.0393 CH3N5- 1 85.0394 -0.85
+  86.0232 CH2N4O- 1 86.0234 -2.37
+  86.0596 C2H6N4- 1 86.0598 -2.03
+  87.0549 CH5N5- 1 87.055 -1.1
+  93.0334 C4H3N3- 1 93.0332 1.59
+  95.0238 C2HN5- 1 95.0237 0.92
+  97.0392 C2H3N5- 1 97.0394 -1.66
+  99.0187 CHN5O- 1 99.0187 0.56
+  99.0551 C2H5N5- 1 99.055 0.7
+  100.0391 C2H4N4O- 1 100.0391 0.56
+  107.0489 C5H5N3- 1 107.0489 0.28
+  108.0441 C4H4N4- 1 108.0441 -0.45
+  110.0232 C3H2N4O- 1 110.0234 -2.01
+  111.0185 C2HN5O- 1 111.0187 -1.58
+  111.0548 C3H5N5- 1 111.055 -2.07
+  112.0262 C2H2N5O- 1 112.0265 -2.95
+  112.0392 C3H4N4O- 1 112.0391 0.84
+  113.0343 C2H3N5O- 1 113.0343 0.12
+  113.0706 C3H7N5- 1 113.0707 -0.5
+  114.0547 C3H6N4O- 1 114.0547 -0.49
+  116.0704 C3H8N4O- 1 116.0704 0.16
+  119.0489 C6H5N3- 1 119.0489 -0.22
+  121.0395 C4H3N5- 1 121.0394 0.61
+  123.0552 C4H5N5- 1 123.055 1.25
+  124.0389 C4H4N4O- 1 124.0391 -1.28
+  125.0343 C3H3N5O- 1 125.0343 -0.13
+  125.0705 C4H7N5- 1 125.0707 -1.48
+  127.0499 C3H5N5O- 1 127.05 -0.12
+  136.039 C5H4N4O- 1 136.0391 -0.44
+  137.0344 C4H3N5O- 1 137.0343 0.76
+  138.0656 C4H6N6- 1 138.0659 -2.54
+  139.05 C4H5N5O- 1 139.05 0.54
+  140.0339 C4H4N4O2- 1 140.034 -0.34
+  141.102 C5H11N5- 1 141.102 0.16
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+//
diff --git a/Eawag/MSBNK-MLU-ED234256.txt b/Eawag/MSBNK-MLU-ED234256.txt
new file mode 100644
index 0000000000..5c0967fb35
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED234256.txt
@@ -0,0 +1,223 @@
+ACCESSION: MSBNK-MLU-ED234256
+RECORD_TITLE: Insulapeptolide F; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], C. Mehner [dtc], G. M. Koenig  [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2342
+CH$NAME: Insulapeptolide F
+CH$NAME: (S)-1-butyryl-N-((S)-3-hydroxy-1-(((1S,2S,5S,8S,11R,12S,15S,18S,21R)-21-hydroxy-5-(4-hydroxybenzyl)-2-((R)-1-hydroxyethyl)-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-15-phenethyl-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-1-oxopropan-2-yl)pyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C50H70N8O14
+CH$EXACT_MASS: 1006.501149
+CH$SMILES: CCCC(N1[C@H](C(N[C@H](C(N[C@@H]([C@H](OC([C@H](C(C)C)N2)=O)C)C(N[C@@H](CCC3=CC=CC=C3)C(N[C@@H]4C([N@@]([C@H](C(N(C)[C@H](C2=O)CC5=CC=C(O)C=C5)=O)[C@@H](C)O)[C@H](O)CC4)=O)=O)=O)=O)CO)=O)CCC1)=O
+CH$IUPAC: InChI=1S/C50H70N8O14/c1-7-12-38(62)57-24-11-15-36(57)45(66)53-35(26-59)44(65)55-41-29(5)72-50(71)40(27(2)3)54-46(67)37(25-31-16-19-32(61)20-17-31)56(6)49(70)42(28(4)60)58-39(63)23-22-34(48(58)69)52-43(64)33(51-47(41)68)21-18-30-13-9-8-10-14-30/h8-10,13-14,16-17,19-20,27-29,33-37,39-42,59-61,63H,7,11-12,15,18,21-26H2,1-6H3,(H,51,68)(H,52,64)(H,53,66)(H,54,67)(H,55,65)/t28-,29-,33+,34+,35+,36+,37+,39-,40+,41+,42+/m1/s1
+CH$LINK: INCHIKEY YGYHKTCZYNOIBL-RAKGUDTISA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 69-1045
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.621 min
+MS$FOCUSED_ION: BASE_PEAK 1005.4933
+MS$FOCUSED_ION: PRECURSOR_M/Z 1005.4939
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 523816418.3
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-044r-1930000000-ac330d259c67e5e49e7b
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
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+  85.0392 CH3N5- 1 85.0394 -1.75
+  86.0598 C2H6N4- 1 86.0598 -0.43
+  87.055 CH5N5- 1 87.055 -0.31
+  93.0335 C4H3N3- 1 93.0332 2.57
+  95.024 C2HN5- 1 95.0237 3.01
+  97.0394 C2H3N5- 1 97.0394 -0.01
+  99.0189 CHN5O- 1 99.0187 2.02
+  99.055 C2H5N5- 1 99.055 0.01
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+  109.0394 C3H3N5- 1 109.0394 -0.25
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+  111.0551 C3H5N5- 1 111.055 0.06
+  112.0266 C2H2N5O- 1 112.0265 0.66
+  112.0391 C3H4N4O- 1 112.0391 0.36
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+  114.0543 C3H6N4O- 1 114.0547 -3.3
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+  166.0611 C5H6N6O- 1 166.0609 1.37
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+  182.0915 C6H10N6O- 2 182.0922 -3.36
+  183.0631 C5H7N6O2- 2 183.0636 -2.52
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+  189.1023 C9H11N5- 1 189.102 1.76
+  194.0809 C8H10N4O2- 1 194.0809 -0.17
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+  211.0859 C10H13NO4- 2 211.085 4.38
+  212.106 C12H12N4- 2 212.1067 -3.54
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+  305.1608 C14H25O7- 4 305.1606 0.64
+  362.1824 C2H30N6O14- 5 362.1825 -0.35
+PK$NUM_PEAK: 91
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+  362.1824 1231711.9 161
+//
diff --git a/Eawag/MSBNK-MLU-ED234257.txt b/Eawag/MSBNK-MLU-ED234257.txt
new file mode 100644
index 0000000000..1c1e35940d
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED234257.txt
@@ -0,0 +1,227 @@
+ACCESSION: MSBNK-MLU-ED234257
+RECORD_TITLE: Insulapeptolide F; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], C. Mehner [dtc], G. M. Koenig  [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2342
+CH$NAME: Insulapeptolide F
+CH$NAME: (S)-1-butyryl-N-((S)-3-hydroxy-1-(((1S,2S,5S,8S,11R,12S,15S,18S,21R)-21-hydroxy-5-(4-hydroxybenzyl)-2-((R)-1-hydroxyethyl)-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-15-phenethyl-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-1-oxopropan-2-yl)pyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C50H70N8O14
+CH$EXACT_MASS: 1006.501149
+CH$SMILES: CCCC(N1[C@H](C(N[C@H](C(N[C@@H]([C@H](OC([C@H](C(C)C)N2)=O)C)C(N[C@@H](CCC3=CC=CC=C3)C(N[C@@H]4C([N@@]([C@H](C(N(C)[C@H](C2=O)CC5=CC=C(O)C=C5)=O)[C@@H](C)O)[C@H](O)CC4)=O)=O)=O)=O)CO)=O)CCC1)=O
+CH$IUPAC: InChI=1S/C50H70N8O14/c1-7-12-38(62)57-24-11-15-36(57)45(66)53-35(26-59)44(65)55-41-29(5)72-50(71)40(27(2)3)54-46(67)37(25-31-16-19-32(61)20-17-31)56(6)49(70)42(28(4)60)58-39(63)23-22-34(48(58)69)52-43(64)33(51-47(41)68)21-18-30-13-9-8-10-14-30/h8-10,13-14,16-17,19-20,27-29,33-37,39-42,59-61,63H,7,11-12,15,18,21-26H2,1-6H3,(H,51,68)(H,52,64)(H,53,66)(H,54,67)(H,55,65)/t28-,29-,33+,34+,35+,36+,37+,39-,40+,41+,42+/m1/s1
+CH$LINK: INCHIKEY YGYHKTCZYNOIBL-RAKGUDTISA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 69-1045
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.621 min
+MS$FOCUSED_ION: BASE_PEAK 1005.4933
+MS$FOCUSED_ION: PRECURSOR_M/Z 1005.4939
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 523816418.3
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03y0-2910000000-56ee049de380a06aa42b
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  70.0287 CH2N4- 1 70.0285 3.31
+  71.0238 HN5- 1 71.0237 0.86
+  72.0077 N4O- 1 72.0078 -0.54
+  73.0394 H3N5- 1 73.0394 0.04
+  74.0235 H2N4O- 1 74.0234 0.65
+  82.0285 C2H2N4- 1 82.0285 -0.18
+  83.0239 CHN5- 1 83.0237 1.43
+  84.0077 CN4O- 1 84.0078 -0.34
+  85.0394 CH3N5- 1 85.0394 0.05
+  86.0235 CH2N4O- 1 86.0234 1.26
+  86.0598 C2H6N4- 1 86.0598 0.01
+  87.055 CH5N5- 1 87.055 -0.23
+  93.0331 C4H3N3- 1 93.0332 -1.37
+  95.0237 C2HN5- 1 95.0237 -0.52
+  96.0442 C3H4N4- 1 96.0441 0.7
+  97.0395 C2H3N5- 1 97.0394 1.09
+  98.0237 C2H2N4O- 1 98.0234 2.51
+  99.0187 CHN5O- 1 99.0187 0.79
+  99.0551 C2H5N5- 1 99.055 0.16
+  100.0391 C2H4N4O- 1 100.0391 0.64
+  107.049 C5H5N3- 1 107.0489 1.2
+  108.0315 C3H2N5- 1 108.0316 -0.92
+  109.0394 C3H3N5- 1 109.0394 0.31
+  110.0104 C2N5O- 1 110.0108 -3.79
+  110.0235 C3H2N4O- 1 110.0234 0.83
+  111.0187 C2HN5O- 1 111.0187 0.34
+  111.0548 C3H5N5- 1 111.055 -2.28
+  112.0267 C2H2N5O- 1 112.0265 1.68
+  112.039 C3H4N4O- 1 112.0391 -0.38
+  112.0504 C2H4N6- 1 112.0503 1.22
+  113.0343 C2H3N5O- 1 113.0343 0.12
+  113.0707 C3H7N5- 1 113.0707 -0.23
+  114.0548 C3H6N4O- 1 114.0547 0.71
+  115.0497 C2H5N5O- 1 115.05 -2.09
+  116.0704 C3H8N4O- 1 116.0704 0.1
+  119.0489 C6H5N3- 1 119.0489 -0.16
+  121.0395 C4H3N5- 1 121.0394 0.55
+  122.0471 C4H4N5- 1 122.0472 -0.82
+  123.0549 C4H5N5- 1 123.055 -0.98
+  124.0392 C4H4N4O- 1 124.0391 0.81
+  125.0343 C3H3N5O- 1 125.0343 -0.07
+  125.0708 C4H7N5- 1 125.0707 0.71
+  127.05 C3H5N5O- 1 127.05 0.3
+  127.0865 C4H9N5- 1 127.0863 0.95
+  129.1019 C4H11N5- 1 129.102 -0.49
+  130.0605 C2H6N6O- 1 130.0609 -2.54
+  136.0394 C5H4N4O- 1 136.0391 2.7
+  137.0343 C4H3N5O- 1 137.0343 -0.24
+  137.0711 C5H7N5- 1 137.0707 3.03
+  138.0661 C4H6N6- 1 138.0659 0.88
+  139.0502 C4H5N5O- 1 139.05 1.53
+  139.0867 C5H9N5- 1 139.0863 2.67
+  141.1021 C5H11N5- 1 141.102 0.81
+  142.0614 C3H6N6O- 1 142.0609 3.64
+  144.0766 C3H8N6O- 1 144.0765 0.73
+  145.0284 C7H3N3O- 1 145.0282 1.44
+  148.0751 C7H8N4- 1 148.0754 -2.51
+  151.0497 C5H5N5O- 1 151.05 -1.87
+  152.0816 C5H8N6- 1 152.0816 -0.15
+  153.0657 C5H7N5O- 1 153.0656 0.62
+  154.0607 C4H6N6O- 1 154.0609 -0.81
+  155.0816 C5H9N5O- 1 155.0813 1.96
+  156.0763 C4H8N6O- 1 156.0765 -1.12
+  163.0381 C7H5N3O2- 2 163.0387 -3.7
+  166.0608 C5H6N6O- 1 166.0609 -0.37
+  166.097 C6H10N6- 1 166.0972 -1.53
+  168.0403 C4H4N6O2- 1 168.0401 0.86
+  170.0563 C4H6N6O2- 2 170.0558 3.08
+  170.0921 C5H10N6O- 1 170.0922 -0.29
+  177.102 C8H11N5- 1 177.102 0.31
+  178.0608 C6H6N6O- 1 178.0609 -0.11
+  182.0924 C6H10N6O- 1 182.0922 1.58
+  183.0634 C5H7N6O2- 1 183.0636 -1.27
+  183.1122 C7H13N5O- 1 183.1126 -1.75
+  184.0717 C5H8N6O2- 1 184.0714 1.33
+  184.1074 C6H12N6O- 1 184.1078 -1.95
+  186.1234 C6H14N6O- 1 186.1235 -0.09
+  189.1023 C9H11N5- 1 189.102 1.44
+  199.0861 C10H9N5- 1 199.0863 -1.03
+  200.0704 C10H8N4O- 1 200.0704 0.17
+  203.0815 C9H9N5O- 1 203.0813 1.11
+  210.1236 C8H14N6O- 1 210.1235 0.63
+  213.1015 C11H11N5- 2 213.102 -2.21
+  215.0813 C10H9N5O- 1 215.0813 0.27
+  216.1128 C10H12N6- 1 216.1129 -0.39
+  217.097 C10H11N5O- 1 217.0969 0.41
+  218.1175 C11H14N4O- 1 218.1173 0.75
+  234.1228 C10H14N6O- 2 234.1235 -2.6
+  235.1186 C9H13N7O- 2 235.1187 -0.6
+  239.0787 C9H11N4O4- 1 239.0786 0.58
+  241.1294 C9H21O7- 2 241.1293 0.53
+  248.139 C11H16N6O- 2 248.1391 -0.49
+  305.1606 C14H25O7- 5 305.1606 0.24
+PK$NUM_PEAK: 93
+PK$PEAK: m/z int. rel.int.
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+  98.0237 233729.9 22
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+  100.0391 235332.5 22
+  107.049 861608.1 83
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+  109.0394 815201.7 79
+  110.0104 164208.5 15
+  110.0235 247197 23
+  111.0187 2282318.5 221
+  111.0548 661796.1 64
+  112.0267 484966.3 47
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+  112.0504 518983 50
+  113.0343 10107415 980
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+  114.0548 387372.7 37
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+  129.1019 1026342.8 99
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+  137.0343 217663.6 21
+  137.0711 254664.2 24
+  138.0661 1821198.4 176
+  139.0502 1161444.8 112
+  139.0867 157425.7 15
+  141.1021 765796 74
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+  177.102 1311694.1 127
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+  218.1175 892319.8 86
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+  239.0787 228413.6 22
+  241.1294 432457 41
+  248.139 2393493.8 232
+  305.1606 1563520.2 151
+//
diff --git a/Eawag/MSBNK-MLU-ED234258.txt b/Eawag/MSBNK-MLU-ED234258.txt
new file mode 100644
index 0000000000..fc408137d1
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED234258.txt
@@ -0,0 +1,175 @@
+ACCESSION: MSBNK-MLU-ED234258
+RECORD_TITLE: Insulapeptolide F; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], C. Mehner [dtc], G. M. Koenig  [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2342
+CH$NAME: Insulapeptolide F
+CH$NAME: (S)-1-butyryl-N-((S)-3-hydroxy-1-(((1S,2S,5S,8S,11R,12S,15S,18S,21R)-21-hydroxy-5-(4-hydroxybenzyl)-2-((R)-1-hydroxyethyl)-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-15-phenethyl-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-1-oxopropan-2-yl)pyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C50H70N8O14
+CH$EXACT_MASS: 1006.501149
+CH$SMILES: CCCC(N1[C@H](C(N[C@H](C(N[C@@H]([C@H](OC([C@H](C(C)C)N2)=O)C)C(N[C@@H](CCC3=CC=CC=C3)C(N[C@@H]4C([N@@]([C@H](C(N(C)[C@H](C2=O)CC5=CC=C(O)C=C5)=O)[C@@H](C)O)[C@H](O)CC4)=O)=O)=O)=O)CO)=O)CCC1)=O
+CH$IUPAC: InChI=1S/C50H70N8O14/c1-7-12-38(62)57-24-11-15-36(57)45(66)53-35(26-59)44(65)55-41-29(5)72-50(71)40(27(2)3)54-46(67)37(25-31-16-19-32(61)20-17-31)56(6)49(70)42(28(4)60)58-39(63)23-22-34(48(58)69)52-43(64)33(51-47(41)68)21-18-30-13-9-8-10-14-30/h8-10,13-14,16-17,19-20,27-29,33-37,39-42,59-61,63H,7,11-12,15,18,21-26H2,1-6H3,(H,51,68)(H,52,64)(H,53,66)(H,54,67)(H,55,65)/t28-,29-,33+,34+,35+,36+,37+,39-,40+,41+,42+/m1/s1
+CH$LINK: INCHIKEY YGYHKTCZYNOIBL-RAKGUDTISA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 69-1045
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.621 min
+MS$FOCUSED_ION: BASE_PEAK 1005.4933
+MS$FOCUSED_ION: PRECURSOR_M/Z 1005.4939
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 523816418.3
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03y0-3900000000-21a8591d52022bc14d5d
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  70.0285 CH2N4- 1 70.0285 0.37
+  71.0238 HN5- 1 71.0237 0.86
+  72.008 N4O- 1 72.0078 3.17
+  73.0394 H3N5- 1 73.0394 0.14
+  74.0235 H2N4O- 1 74.0234 0.96
+  82.0285 C2H2N4- 1 82.0285 0.38
+  83.0238 CHN5- 1 83.0237 0.6
+  84.0077 CN4O- 1 84.0078 -0.61
+  85.0394 CH3N5- 1 85.0394 -0.31
+  86.0599 C2H6N4- 1 86.0598 0.72
+  87.055 CH5N5- 1 87.055 -0.23
+  93.0332 C4H3N3- 1 93.0332 -0.63
+  95.0237 C2HN5- 1 95.0237 -0.12
+  96.0078 C2N4O- 1 96.0078 0.79
+  97.0394 C2H3N5- 1 97.0394 -0.01
+  99.0188 CHN5O- 1 99.0187 1.02
+  99.0548 C2H5N5- 1 99.055 -2.23
+  108.0438 C4H4N4- 1 108.0441 -2.92
+  109.0394 C3H3N5- 1 109.0394 -0.39
+  110.0108 C2N5O- 1 110.0108 -0.39
+  110.0233 C3H2N4O- 1 110.0234 -0.69
+  111.0187 C2HN5O- 1 111.0187 0.07
+  111.0549 C3H5N5- 1 111.055 -1.32
+  112.0502 C2H4N6- 1 112.0503 -0.55
+  113.0343 C2H3N5O- 1 113.0343 0.05
+  113.0707 C3H7N5- 1 113.0707 -0.09
+  114.0546 C3H6N4O- 1 114.0547 -1.1
+  116.0704 C3H8N4O- 1 116.0704 0.36
+  117.0334 C6H3N3- 1 117.0332 1.17
+  119.0489 C6H5N3- 1 119.0489 0.29
+  121.0394 C4H3N5- 1 121.0394 0.17
+  122.0469 C4H4N5- 1 122.0472 -3.01
+  123.0309 C4H3N4O- 1 123.0312 -2.98
+  123.055 C4H5N5- 1 123.055 -0.24
+  125.0344 C3H3N5O- 1 125.0343 0.97
+  125.0708 C4H7N5- 1 125.0707 0.71
+  127.0501 C3H5N5O- 1 127.05 0.9
+  129.1022 C4H11N5- 1 129.102 1.88
+  136.0393 C5H4N4O- 1 136.0391 2.02
+  137.0345 C4H3N5O- 1 137.0343 1.76
+  138.066 C4H6N6- 1 138.0659 0.66
+  139.05 C4H5N5O- 1 139.05 0.54
+  139.0865 C5H9N5- 1 139.0863 1.36
+  141.0657 C4H7N5O- 1 141.0656 0.55
+  143.1177 C5H13N5- 1 143.1176 0.49
+  144.0766 C3H8N6O- 1 144.0765 0.52
+  145.0279 C7H3N3O- 1 145.0282 -2.13
+  148.0755 C7H8N4- 1 148.0754 0.48
+  150.0657 C5H6N6- 1 150.0659 -1.75
+  151.0504 C5H5N5O- 1 151.05 2.68
+  152.0814 C5H8N6- 1 152.0816 -0.96
+  153.0655 C5H7N5O- 1 153.0656 -0.68
+  155.0818 C5H9N5O- 1 155.0813 3.54
+  170.0559 C4H6N6O2- 1 170.0558 0.84
+  170.0921 C5H10N6O- 1 170.0922 -0.2
+  182.0923 C6H10N6O- 1 182.0922 1
+  183.0636 C5H7N6O2- 1 183.0636 0.23
+  184.0716 C5H8N6O2- 1 184.0714 1.16
+  186.1228 C6H14N6O- 2 186.1235 -3.53
+  189.1012 C9H11N5- 2 189.102 -4.29
+  199.0865 C10H9N5- 1 199.0863 0.58
+  201.0988 C6H17O7- 3 201.098 4.19
+  209.1032 C8H17O6- 2 209.1031 0.62
+  210.1236 C8H14N6O- 1 210.1235 0.56
+  217.0971 C10H11N5O- 1 217.0969 0.83
+  235.1185 C9H13N7O- 3 235.1187 -1.05
+  248.1396 C11H16N6O- 2 248.1391 1.9
+PK$NUM_PEAK: 67
+PK$PEAK: m/z int. rel.int.
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+  111.0187 2264718.2 249
+  111.0549 615976.3 67
+  112.0502 821196.4 90
+  113.0343 6546392 721
+  113.0707 9067935 999
+  114.0546 106325.3 11
+  116.0704 5118392.5 563
+  117.0334 230626.5 25
+  119.0489 7631323 840
+  121.0394 1544506.5 170
+  122.0469 223061.5 24
+  123.0309 109574.3 12
+  123.055 857208.9 94
+  125.0344 1396814.2 153
+  125.0708 711815.6 78
+  127.0501 2669124.5 294
+  129.1022 1169527.9 128
+  136.0393 303066.6 33
+  137.0345 282368.2 31
+  138.066 1700892.9 187
+  139.05 542542.1 59
+  139.0865 151118 16
+  141.0657 149523 16
+  143.1177 383667 42
+  144.0766 5912944 651
+  145.0279 128398.1 14
+  148.0755 187845.8 20
+  150.0657 184542.9 20
+  151.0504 233110.8 25
+  152.0814 289919.1 31
+  153.0655 1296081.1 142
+  155.0818 139987.4 15
+  170.0559 188997.6 20
+  170.0921 3072378.5 338
+  182.0923 279798.8 30
+  183.0636 181477.5 19
+  184.0716 430933.1 47
+  186.1228 241673.8 26
+  189.1012 164110.4 18
+  199.0865 260397.1 28
+  201.0988 313679.1 34
+  209.1032 940509.1 103
+  210.1236 348780.3 38
+  217.0971 453930.4 50
+  235.1185 1039083.4 114
+  248.1396 591185.6 65
+//
diff --git a/Eawag/MSBNK-MLU-ED234301.txt b/Eawag/MSBNK-MLU-ED234301.txt
new file mode 100644
index 0000000000..8a147111ba
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED234301.txt
@@ -0,0 +1,83 @@
+ACCESSION: MSBNK-MLU-ED234301
+RECORD_TITLE: Insulapeptolide G; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], C. Mehner [dtc], G. M. Koenig  [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2343
+CH$NAME: Insulapeptolide G
+CH$NAME: (S)-N-((S)-1-(((1S,2S,5S,8S,11R,12S,15S,18S,21R)-5-benzyl-21-hydroxy-2-((R)-1-hydroxyethyl)-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-15-phenethyl-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-hydroxy-1-oxopropan-2-yl)-1-butyrylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C50H70N8O13
+CH$EXACT_MASS: 990.5062343
+CH$SMILES: CCCC(N1[C@H](C(N[C@H](C(N[C@@H]([C@H](OC([C@H](C(C)C)N2)=O)C)C(N[C@@H](CCC3=CC=CC=C3)C(N[C@@H]4C([N@@]([C@H](C(N(C)[C@H](C2=O)CC5=CC=CC=C5)=O)[C@@H](C)O)[C@H](O)CC4)=O)=O)=O)=O)CO)=O)CCC1)=O
+CH$IUPAC: InChI=1S/C50H70N8O13/c1-7-15-38(61)57-25-14-20-36(57)45(65)53-35(27-59)44(64)55-41-30(5)71-50(70)40(28(2)3)54-46(66)37(26-32-18-12-9-13-19-32)56(6)49(69)42(29(4)60)58-39(62)24-23-34(48(58)68)52-43(63)33(51-47(41)67)22-21-31-16-10-8-11-17-31/h8-13,16-19,28-30,33-37,39-42,59-60,62H,7,14-15,20-27H2,1-6H3,(H,51,67)(H,52,63)(H,53,65)(H,54,66)(H,55,64)/t29-,30-,33+,34+,35+,36+,37+,39-,40+,41+,42+/m1/s1
+CH$LINK: INCHIKEY FWWSPBIYNIQGJB-MZAIBGPZSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 68-1030
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.053 min
+MS$FOCUSED_ION: BASE_PEAK 973.5031
+MS$FOCUSED_ION: PRECURSOR_M/Z 991.5135
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 659368064.72
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00dj-0002600129-55b871239643835f8bd5
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  168.1016 C9H14NO2+ 1 168.1019 -1.6
+  320.1614 C2H24N8O10+ 5 320.161 1.17
+  338.1718 C2H26N8O11+ 5 338.1716 0.79
+  358.1772 C20H20N7+ 6 358.1775 -0.83
+  457.245 C24H33N4O5+ 7 457.2445 1.08
+  471.2597 C25H35N4O5+ 6 471.2602 -1.11
+  475.2554 C24H35N4O6+ 7 475.2551 0.67
+  481.2442 C26H33N4O5+ 7 481.2445 -0.8
+  499.2551 C26H35N4O6+ 6 499.2551 -0.02
+  517.2655 C25H41O11+ 7 517.2643 2.18
+  519.2598 C29H35N4O5+ 7 519.2602 -0.69
+  636.3393 C34H46N5O7+ 8 636.3392 0.14
+  701.3655 C38H49N6O7+ 8 701.3657 -0.29
+  719.3762 C38H51N6O8+ 9 719.3763 -0.12
+  806.4085 C41H56N7O10+ 6 806.4083 0.17
+  838.4138 C45H56N7O9+ 7 838.4134 0.45
+  874.4346 C45H60N7O11+ 5 874.4345 0.1
+  937.4818 C50H65N8O10+ 2 937.4818 -0.04
+  945.51 C49H69N8O11+ 1 945.508 2.06
+  955.4922 C50H67N8O11+ 1 955.4924 -0.23
+  973.5027 C50H69N8O12+ 1 973.5029 -0.28
+PK$NUM_PEAK: 21
+PK$PEAK: m/z int. rel.int.
+  168.1016 8900933 102
+  320.1614 3426642 39
+  338.1718 22872600 263
+  358.1772 13890923 160
+  457.245 1359840.1 15
+  471.2597 1906152.2 21
+  475.2554 4419885 50
+  481.2442 3457736.2 39
+  499.2551 86705536 999
+  517.2655 4986358.5 57
+  519.2598 5042676.5 58
+  636.3393 12945620 149
+  701.3655 4033680.5 46
+  719.3762 23312950 268
+  806.4085 3124889.8 36
+  838.4138 7375321 84
+  874.4346 27407460 315
+  937.4818 3261712 37
+  945.51 3091987.2 35
+  955.4922 39563844 455
+  973.5027 80022000 921
+//
diff --git a/Eawag/MSBNK-MLU-ED234302.txt b/Eawag/MSBNK-MLU-ED234302.txt
new file mode 100644
index 0000000000..00b43cdd00
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED234302.txt
@@ -0,0 +1,105 @@
+ACCESSION: MSBNK-MLU-ED234302
+RECORD_TITLE: Insulapeptolide G; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], C. Mehner [dtc], G. M. Koenig  [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2343
+CH$NAME: Insulapeptolide G
+CH$NAME: (S)-N-((S)-1-(((1S,2S,5S,8S,11R,12S,15S,18S,21R)-5-benzyl-21-hydroxy-2-((R)-1-hydroxyethyl)-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-15-phenethyl-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-hydroxy-1-oxopropan-2-yl)-1-butyrylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C50H70N8O13
+CH$EXACT_MASS: 990.5062343
+CH$SMILES: CCCC(N1[C@H](C(N[C@H](C(N[C@@H]([C@H](OC([C@H](C(C)C)N2)=O)C)C(N[C@@H](CCC3=CC=CC=C3)C(N[C@@H]4C([N@@]([C@H](C(N(C)[C@H](C2=O)CC5=CC=CC=C5)=O)[C@@H](C)O)[C@H](O)CC4)=O)=O)=O)=O)CO)=O)CCC1)=O
+CH$IUPAC: InChI=1S/C50H70N8O13/c1-7-15-38(61)57-25-14-20-36(57)45(65)53-35(27-59)44(64)55-41-30(5)71-50(70)40(28(2)3)54-46(66)37(26-32-18-12-9-13-19-32)56(6)49(69)42(29(4)60)58-39(62)24-23-34(48(58)68)52-43(63)33(51-47(41)67)22-21-31-16-10-8-11-17-31/h8-13,16-19,28-30,33-37,39-42,59-60,62H,7,14-15,20-27H2,1-6H3,(H,51,67)(H,52,63)(H,53,65)(H,54,66)(H,55,64)/t29-,30-,33+,34+,35+,36+,37+,39-,40+,41+,42+/m1/s1
+CH$LINK: INCHIKEY FWWSPBIYNIQGJB-MZAIBGPZSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 68-1030
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.053 min
+MS$FOCUSED_ION: BASE_PEAK 973.5031
+MS$FOCUSED_ION: PRECURSOR_M/Z 991.5135
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 659368064.72
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00rj-0309521232-d7101da65fe5cec5a8b8
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  134.096 C9H12N+ 1 134.0964 -3.11
+  140.1068 C8H14NO+ 1 140.107 -1.56
+  168.1017 C9H14NO2+ 1 168.1019 -1.14
+  197.0918 C9H13N2O3+ 1 197.0921 -1.59
+  255.1333 C12H19N2O4+ 2 255.1339 -2.54
+  279.1702 C15H23N2O3+ 4 279.1703 -0.34
+  314.1505 C3H22N8O9+ 5 314.1504 0.26
+  320.161 C2H24N8O10+ 5 320.161 -0.07
+  330.1813 C18H24N3O3+ 5 330.1812 0.3
+  338.1718 C2H26N8O11+ 5 338.1716 0.7
+  356.1826 C17H22N7O2+ 6 356.1829 -0.97
+  453.2501 C25H33N4O4+ 7 453.2496 0.99
+  457.2445 C24H33N4O5+ 6 457.2445 -0.05
+  474.2382 C28H32N3O4+ 7 474.2387 -1.15
+  475.2552 C24H35N4O6+ 6 475.2551 0.16
+  481.2444 C26H33N4O5+ 6 481.2445 -0.35
+  499.255 C26H35N4O6+ 6 499.2551 -0.14
+  517.2652 C25H41O11+ 7 517.2643 1.59
+  519.26 C29H35N4O5+ 7 519.2602 -0.45
+  537.2707 C29H37N4O6+ 7 537.2708 -0.06
+  602.2974 C33H40N5O6+ 8 602.2973 0.21
+  636.3397 C34H46N5O7+ 7 636.3392 0.81
+  638.3188 C33H44N5O8+ 8 638.3184 0.5
+  701.3655 C38H49N6O7+ 8 701.3657 -0.29
+  719.376 C38H51N6O8+ 9 719.3763 -0.37
+  806.4088 C41H56N7O10+ 6 806.4083 0.55
+  838.4131 C45H56N7O9+ 6 838.4134 -0.35
+  856.4237 C45H58N7O10+ 6 856.424 -0.26
+  874.4344 C45H60N7O11+ 5 874.4345 -0.18
+  945.5077 C49H69N8O11+ 1 945.508 -0.39
+  955.492 C50H67N8O11+ 1 955.4924 -0.35
+  973.5024 C50H69N8O12+ 1 973.5029 -0.59
+PK$NUM_PEAK: 32
+PK$PEAK: m/z int. rel.int.
+  134.096 3639699.5 66
+  140.1068 12973280 238
+  168.1017 22730824 417
+  197.0918 850116.1 15
+  255.1333 1832785.4 33
+  279.1702 1327492.1 24
+  314.1505 933661.9 17
+  320.161 31506004 579
+  330.1813 849696.9 15
+  338.1718 54346468 999
+  356.1826 3833372 70
+  453.2501 2229668 40
+  457.2445 1524454 28
+  474.2382 2721683.5 50
+  475.2552 2455994.8 45
+  481.2444 9494772 174
+  499.255 36963612 679
+  517.2652 2695256.5 49
+  519.26 12607377 231
+  537.2707 7561942.5 139
+  602.2974 2193741.2 40
+  636.3397 4972608.5 91
+  638.3188 3818409.2 70
+  701.3655 11988177 220
+  719.376 11088278 203
+  806.4088 2460782 45
+  838.4131 11813092 217
+  856.4237 11251484 206
+  874.4344 12722325 233
+  945.5077 2800025 51
+  955.492 14538716 267
+  973.5024 7534332.5 138
+//
diff --git a/Eawag/MSBNK-MLU-ED234303.txt b/Eawag/MSBNK-MLU-ED234303.txt
new file mode 100644
index 0000000000..d5594f0670
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED234303.txt
@@ -0,0 +1,113 @@
+ACCESSION: MSBNK-MLU-ED234303
+RECORD_TITLE: Insulapeptolide G; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], C. Mehner [dtc], G. M. Koenig  [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2343
+CH$NAME: Insulapeptolide G
+CH$NAME: (S)-N-((S)-1-(((1S,2S,5S,8S,11R,12S,15S,18S,21R)-5-benzyl-21-hydroxy-2-((R)-1-hydroxyethyl)-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-15-phenethyl-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-hydroxy-1-oxopropan-2-yl)-1-butyrylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C50H70N8O13
+CH$EXACT_MASS: 990.5062343
+CH$SMILES: CCCC(N1[C@H](C(N[C@H](C(N[C@@H]([C@H](OC([C@H](C(C)C)N2)=O)C)C(N[C@@H](CCC3=CC=CC=C3)C(N[C@@H]4C([N@@]([C@H](C(N(C)[C@H](C2=O)CC5=CC=CC=C5)=O)[C@@H](C)O)[C@H](O)CC4)=O)=O)=O)=O)CO)=O)CCC1)=O
+CH$IUPAC: InChI=1S/C50H70N8O13/c1-7-15-38(61)57-25-14-20-36(57)45(65)53-35(27-59)44(64)55-41-30(5)71-50(70)40(28(2)3)54-46(66)37(26-32-18-12-9-13-19-32)56(6)49(69)42(29(4)60)58-39(62)24-23-34(48(58)68)52-43(63)33(51-47(41)67)22-21-31-16-10-8-11-17-31/h8-13,16-19,28-30,33-37,39-42,59-60,62H,7,14-15,20-27H2,1-6H3,(H,51,67)(H,52,63)(H,53,65)(H,54,66)(H,55,64)/t29-,30-,33+,34+,35+,36+,37+,39-,40+,41+,42+/m1/s1
+CH$LINK: INCHIKEY FWWSPBIYNIQGJB-MZAIBGPZSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 68-1030
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.053 min
+MS$FOCUSED_ION: BASE_PEAK 973.5031
+MS$FOCUSED_ION: PRECURSOR_M/Z 991.5135
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 659368064.72
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00xu-0509100000-4da0d6c4b0e03f6524b6
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  70.0649 C4H8N+ 1 70.0651 -2.51
+  134.0963 C9H12N+ 1 134.0964 -0.84
+  140.1068 C8H14NO+ 1 140.107 -1.12
+  168.1018 C9H14NO2+ 1 168.1019 -0.6
+  179.081 C9H11N2O2+ 2 179.0815 -2.6
+  180.1017 C10H14NO2+ 1 180.1019 -0.91
+  197.0918 C9H13N2O3+ 1 197.0921 -1.59
+  235.1434 C11H17N5O+ 2 235.1428 2.78
+  237.1225 C12H17N2O3+ 2 237.1234 -3.79
+  245.1283 C14H17N2O2+ 4 245.1285 -0.53
+  255.1334 C12H19N2O4+ 2 255.1339 -2.06
+  279.1704 C15H23N2O3+ 3 279.1703 0.21
+  310.177 CH26N8O10+ 5 310.1766 1.27
+  313.1557 C4H23N7O9+ 3 313.1552 1.52
+  314.1505 C3H22N8O9+ 5 314.1504 0.17
+  320.161 C2H24N8O10+ 5 320.161 0.12
+  330.1817 C4H26N8O9+ 5 330.1817 0.05
+  338.1718 C2H26N8O11+ 5 338.1716 0.79
+  340.1663 C5H24N8O9+ 5 340.1661 0.57
+  356.1829 C17H22N7O2+ 6 356.1829 -0.11
+  358.1771 C20H20N7+ 6 358.1775 -0.91
+  446.2434 C12H38N4O13+ 6 446.243 0.87
+  453.2498 C25H33N4O4+ 6 453.2496 0.39
+  457.245 C24H33N4O5+ 7 457.2445 1.01
+  473.2552 C28H33N4O3+ 7 473.2547 1.12
+  481.2443 C26H33N4O5+ 6 481.2445 -0.48
+  491.2654 C28H35N4O4+ 7 491.2653 0.32
+  499.2551 C26H35N4O6+ 6 499.2551 -0.08
+  519.2604 C29H35N4O5+ 7 519.2602 0.37
+  537.2709 C29H37N4O6+ 7 537.2708 0.28
+  602.2971 C33H40N5O6+ 8 602.2973 -0.29
+  638.3186 C33H44N5O8+ 8 638.3184 0.31
+  701.3657 C38H49N6O7+ 8 701.3657 -0.03
+  792.4074 C44H54N7O7+ 7 792.4079 -0.64
+  937.4815 C50H65N8O10+ 2 937.4818 -0.3
+  955.4953 C50H67N8O11+ 1 955.4924 3.1
+PK$NUM_PEAK: 36
+PK$PEAK: m/z int. rel.int.
+  70.0649 18107308 241
+  134.0963 20555036 274
+  140.1068 34085432 455
+  168.1018 54505028 728
+  179.081 2547746.5 34
+  180.1017 1343091.5 17
+  197.0918 5502712 73
+  235.1434 768321.2 10
+  237.1225 1154824.4 15
+  245.1283 1268412.9 16
+  255.1334 2122851.2 28
+  279.1704 3454036.2 46
+  310.177 748851.7 10
+  313.1557 919669.3 12
+  314.1505 3428020.2 45
+  320.161 74774536 999
+  330.1817 4480571.5 59
+  338.1718 45246248 604
+  340.1663 15067498 201
+  356.1829 3897182.2 52
+  358.1771 39386708 526
+  446.2434 2269825.5 30
+  453.2498 9435115 126
+  457.245 1151939.6 15
+  473.2552 1184154.9 15
+  481.2443 8043296 107
+  491.2654 4497810 60
+  499.2551 9910775 132
+  519.2604 11409906 152
+  537.2709 4481837.5 59
+  602.2971 3463052.5 46
+  638.3186 1675727.6 22
+  701.3657 12718890 169
+  792.4074 1401299 18
+  937.4815 1202047.5 16
+  955.4953 2113973.8 28
+//
diff --git a/Eawag/MSBNK-MLU-ED234304.txt b/Eawag/MSBNK-MLU-ED234304.txt
new file mode 100644
index 0000000000..d180bf78d9
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED234304.txt
@@ -0,0 +1,109 @@
+ACCESSION: MSBNK-MLU-ED234304
+RECORD_TITLE: Insulapeptolide G; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], C. Mehner [dtc], G. M. Koenig  [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2343
+CH$NAME: Insulapeptolide G
+CH$NAME: (S)-N-((S)-1-(((1S,2S,5S,8S,11R,12S,15S,18S,21R)-5-benzyl-21-hydroxy-2-((R)-1-hydroxyethyl)-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-15-phenethyl-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-hydroxy-1-oxopropan-2-yl)-1-butyrylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C50H70N8O13
+CH$EXACT_MASS: 990.5062343
+CH$SMILES: CCCC(N1[C@H](C(N[C@H](C(N[C@@H]([C@H](OC([C@H](C(C)C)N2)=O)C)C(N[C@@H](CCC3=CC=CC=C3)C(N[C@@H]4C([N@@]([C@H](C(N(C)[C@H](C2=O)CC5=CC=CC=C5)=O)[C@@H](C)O)[C@H](O)CC4)=O)=O)=O)=O)CO)=O)CCC1)=O
+CH$IUPAC: InChI=1S/C50H70N8O13/c1-7-15-38(61)57-25-14-20-36(57)45(65)53-35(27-59)44(64)55-41-30(5)71-50(70)40(28(2)3)54-46(66)37(26-32-18-12-9-13-19-32)56(6)49(69)42(29(4)60)58-39(62)24-23-34(48(58)68)52-43(63)33(51-47(41)67)22-21-31-16-10-8-11-17-31/h8-13,16-19,28-30,33-37,39-42,59-60,62H,7,14-15,20-27H2,1-6H3,(H,51,67)(H,52,63)(H,53,65)(H,54,66)(H,55,64)/t29-,30-,33+,34+,35+,36+,37+,39-,40+,41+,42+/m1/s1
+CH$LINK: INCHIKEY FWWSPBIYNIQGJB-MZAIBGPZSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 68-1030
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.053 min
+MS$FOCUSED_ION: BASE_PEAK 973.5031
+MS$FOCUSED_ION: PRECURSOR_M/Z 991.5135
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 659368064.72
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00xu-1905100000-42e32d83091ac1ccb754
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  70.0651 C4H8N+ 1 70.0651 -0.22
+  71.0491 C4H7O+ 1 71.0491 -1.11
+  134.0963 C9H12N+ 1 134.0964 -0.61
+  140.1069 C8H14NO+ 1 140.107 -0.79
+  153.0661 C7H9N2O2+ 1 153.0659 1.44
+  168.1018 C9H14NO2+ 1 168.1019 -0.69
+  169.097 C8H13N2O2+ 1 169.0972 -0.74
+  179.0814 C9H11N2O2+ 1 179.0815 -0.73
+  180.1017 C10H14NO2+ 1 180.1019 -1.24
+  197.0918 C9H13N2O3+ 1 197.0921 -1.36
+  237.123 C12H17N2O3+ 2 237.1234 -1.35
+  245.1287 C14H17N2O2+ 3 245.1285 1.03
+  255.1333 C12H19N2O4+ 2 255.1339 -2.3
+  269.1281 C16H17N2O2+ 5 269.1285 -1.38
+  279.1703 C15H23N2O3+ 4 279.1703 -0.12
+  292.1662 CH24N8O9+ 4 292.1661 0.52
+  295.1449 C5H27O13+ 4 295.1446 1.09
+  310.1765 CH26N8O10+ 5 310.1766 -0.4
+  313.1555 C4H23N7O9+ 3 313.1552 1.03
+  314.1502 C3H22N8O9+ 5 314.1504 -0.61
+  320.161 C2H24N8O10+ 5 320.161 0.03
+  330.1818 C4H26N8O9+ 5 330.1817 0.15
+  338.1717 C2H26N8O11+ 5 338.1716 0.52
+  340.1663 C5H24N8O9+ 5 340.1661 0.57
+  358.1771 C20H20N7+ 6 358.1775 -1
+  446.243 C12H38N4O13+ 7 446.243 0.12
+  453.2499 C25H33N4O4+ 6 453.2496 0.52
+  473.2548 C28H33N4O3+ 7 473.2547 0.09
+  474.2384 C28H32N3O4+ 8 474.2387 -0.76
+  481.2441 C26H33N4O5+ 7 481.2445 -0.93
+  491.2652 C28H35N4O4+ 7 491.2653 -0.12
+  499.2554 C26H35N4O6+ 7 499.2551 0.59
+  519.2604 C29H35N4O5+ 7 519.2602 0.49
+  701.3652 C38H49N6O7+ 8 701.3657 -0.72
+PK$NUM_PEAK: 34
+PK$PEAK: m/z int. rel.int.
+  70.0651 32272834 430
+  71.0491 993272.9 13
+  134.0963 40340160 538
+  140.1069 51253788 683
+  153.0661 1190165 15
+  168.1018 74868568 999
+  169.097 4291591.5 57
+  179.0814 6332531 84
+  180.1017 2438789 32
+  197.0918 13632600 181
+  237.123 3270318.5 43
+  245.1287 1537008.6 20
+  255.1333 1933907.8 25
+  269.1281 1065007 14
+  279.1703 3914932.2 52
+  292.1662 865361.4 11
+  295.1449 1151889.1 15
+  310.1765 1897643.9 25
+  313.1555 1851892.4 24
+  314.1502 4398844.5 58
+  320.161 53824816 718
+  330.1818 5968943 79
+  338.1717 15564286 207
+  340.1663 11177963 149
+  358.1771 23206968 309
+  446.243 3327266.2 44
+  453.2499 9047735 120
+  473.2548 1707054.6 22
+  474.2384 3307543.2 44
+  481.2441 2972760.8 39
+  491.2652 2872124.5 38
+  499.2554 1869329.4 24
+  519.2604 3420331.5 45
+  701.3652 3421402.8 45
+//
diff --git a/Eawag/MSBNK-MLU-ED234305.txt b/Eawag/MSBNK-MLU-ED234305.txt
new file mode 100644
index 0000000000..d3ea00102d
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED234305.txt
@@ -0,0 +1,113 @@
+ACCESSION: MSBNK-MLU-ED234305
+RECORD_TITLE: Insulapeptolide G; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], C. Mehner [dtc], G. M. Koenig  [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2343
+CH$NAME: Insulapeptolide G
+CH$NAME: (S)-N-((S)-1-(((1S,2S,5S,8S,11R,12S,15S,18S,21R)-5-benzyl-21-hydroxy-2-((R)-1-hydroxyethyl)-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-15-phenethyl-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-hydroxy-1-oxopropan-2-yl)-1-butyrylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C50H70N8O13
+CH$EXACT_MASS: 990.5062343
+CH$SMILES: CCCC(N1[C@H](C(N[C@H](C(N[C@@H]([C@H](OC([C@H](C(C)C)N2)=O)C)C(N[C@@H](CCC3=CC=CC=C3)C(N[C@@H]4C([N@@]([C@H](C(N(C)[C@H](C2=O)CC5=CC=CC=C5)=O)[C@@H](C)O)[C@H](O)CC4)=O)=O)=O)=O)CO)=O)CCC1)=O
+CH$IUPAC: InChI=1S/C50H70N8O13/c1-7-15-38(61)57-25-14-20-36(57)45(65)53-35(27-59)44(64)55-41-30(5)71-50(70)40(28(2)3)54-46(66)37(26-32-18-12-9-13-19-32)56(6)49(69)42(29(4)60)58-39(62)24-23-34(48(58)68)52-43(63)33(51-47(41)67)22-21-31-16-10-8-11-17-31/h8-13,16-19,28-30,33-37,39-42,59-60,62H,7,14-15,20-27H2,1-6H3,(H,51,67)(H,52,63)(H,53,65)(H,54,66)(H,55,64)/t29-,30-,33+,34+,35+,36+,37+,39-,40+,41+,42+/m1/s1
+CH$LINK: INCHIKEY FWWSPBIYNIQGJB-MZAIBGPZSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 68-1030
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.053 min
+MS$FOCUSED_ION: BASE_PEAK 973.5031
+MS$FOCUSED_ION: PRECURSOR_M/Z 991.5135
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 659368064.72
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00yl-3900000000-87c886d8ce7bbc2fe96d
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  70.0652 C4H8N+ 1 70.0651 0.76
+  74.06 C3H8NO+ 1 74.06 -0.59
+  80.0495 C5H6N+ 1 80.0495 -0.02
+  84.0442 C4H6NO+ 1 84.0444 -2.06
+  91.054 C7H7+ 1 91.0542 -2.51
+  117.0698 C9H9+ 1 117.0699 -0.81
+  119.0729 C8H9N+ 1 119.073 -0.83
+  123.0919 C7H11N2+ 1 123.0917 1.45
+  124.0756 C7H10NO+ 1 124.0757 -0.65
+  125.0709 C6H9N2O+ 1 125.0709 -0.6
+  126.0914 C7H12NO+ 1 126.0913 0.56
+  134.0964 C9H12N+ 1 134.0964 -0.38
+  136.0392 C7H6NO2+ 1 136.0393 -0.42
+  140.1069 C8H14NO+ 1 140.107 -0.79
+  141.1021 C7H13N2O+ 1 141.1022 -1.31
+  151.0865 C8H11N2O+ 1 151.0866 -0.55
+  153.0657 C7H9N2O2+ 1 153.0659 -0.86
+  168.1018 C9H14NO2+ 1 168.1019 -0.69
+  169.097 C8H13N2O2+ 1 169.0972 -1.01
+  179.0813 C9H11N2O2+ 1 179.0815 -0.9
+  180.1018 C10H14NO2+ 1 180.1019 -0.65
+  197.0918 C9H13N2O3+ 1 197.0921 -1.2
+  200.1071 C13H14NO+ 1 200.107 0.31
+  209.1284 C11H17N2O2+ 1 209.1285 -0.4
+  235.1433 C11H17N5O+ 2 235.1428 2.27
+  237.1228 C12H17N2O3+ 2 237.1234 -2.25
+  245.1283 C14H17N2O2+ 4 245.1285 -0.53
+  255.1333 C12H19N2O4+ 2 255.1339 -2.48
+  269.1282 C16H17N2O2+ 5 269.1285 -1.04
+  292.1659 CH24N8O9+ 4 292.1661 -0.62
+  295.1447 C5H27O13+ 5 295.1446 0.16
+  320.161 C2H24N8O10+ 5 320.161 0.03
+  330.181 C18H24N3O3+ 5 330.1812 -0.72
+  338.1714 C2H26N8O11+ 5 338.1716 -0.47
+  340.1661 C5H24N8O9+ 5 340.1661 -0.06
+  453.2499 C25H33N4O4+ 6 453.2496 0.59
+PK$NUM_PEAK: 36
+PK$PEAK: m/z int. rel.int.
+  70.0652 91557208 999
+  74.06 2693583.2 29
+  80.0495 1114254.5 12
+  84.0442 1073620.6 11
+  91.054 2418699.5 26
+  117.0698 3139696 34
+  119.0729 921608.3 10
+  123.0919 970001.3 10
+  124.0756 1815798.6 19
+  125.0709 1089050.8 11
+  126.0914 2045662 22
+  134.0964 71533928 780
+  136.0392 2916466.8 31
+  140.1069 89219952 973
+  141.1021 4014185.8 43
+  151.0865 6382376.5 69
+  153.0657 3998830.8 43
+  168.1018 57207908 624
+  169.097 17680206 192
+  179.0813 13268108 144
+  180.1018 1899524 20
+  197.0918 18028024 196
+  200.1071 2570322 28
+  209.1284 2242191.8 24
+  235.1433 2702815 29
+  237.1228 6965913.5 76
+  245.1283 1685957.6 18
+  255.1333 1532675.2 16
+  269.1282 1163727.5 12
+  292.1659 1410845.8 15
+  295.1447 3081721.2 33
+  320.161 11047098 120
+  330.181 1509729.8 16
+  338.1714 2533606 27
+  340.1661 2869716 31
+  453.2499 1710994.9 18
+//
diff --git a/Eawag/MSBNK-MLU-ED234306.txt b/Eawag/MSBNK-MLU-ED234306.txt
new file mode 100644
index 0000000000..63a7fcecbc
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED234306.txt
@@ -0,0 +1,101 @@
+ACCESSION: MSBNK-MLU-ED234306
+RECORD_TITLE: Insulapeptolide G; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], C. Mehner [dtc], G. M. Koenig  [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2343
+CH$NAME: Insulapeptolide G
+CH$NAME: (S)-N-((S)-1-(((1S,2S,5S,8S,11R,12S,15S,18S,21R)-5-benzyl-21-hydroxy-2-((R)-1-hydroxyethyl)-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-15-phenethyl-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-hydroxy-1-oxopropan-2-yl)-1-butyrylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C50H70N8O13
+CH$EXACT_MASS: 990.5062343
+CH$SMILES: CCCC(N1[C@H](C(N[C@H](C(N[C@@H]([C@H](OC([C@H](C(C)C)N2)=O)C)C(N[C@@H](CCC3=CC=CC=C3)C(N[C@@H]4C([N@@]([C@H](C(N(C)[C@H](C2=O)CC5=CC=CC=C5)=O)[C@@H](C)O)[C@H](O)CC4)=O)=O)=O)=O)CO)=O)CCC1)=O
+CH$IUPAC: InChI=1S/C50H70N8O13/c1-7-15-38(61)57-25-14-20-36(57)45(65)53-35(27-59)44(64)55-41-30(5)71-50(70)40(28(2)3)54-46(66)37(26-32-18-12-9-13-19-32)56(6)49(69)42(29(4)60)58-39(62)24-23-34(48(58)68)52-43(63)33(51-47(41)67)22-21-31-16-10-8-11-17-31/h8-13,16-19,28-30,33-37,39-42,59-60,62H,7,14-15,20-27H2,1-6H3,(H,51,67)(H,52,63)(H,53,65)(H,54,66)(H,55,64)/t29-,30-,33+,34+,35+,36+,37+,39-,40+,41+,42+/m1/s1
+CH$LINK: INCHIKEY FWWSPBIYNIQGJB-MZAIBGPZSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 68-1030
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.053 min
+MS$FOCUSED_ION: BASE_PEAK 973.5031
+MS$FOCUSED_ION: PRECURSOR_M/Z 991.5135
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 659368064.72
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00di-6900000000-cf1ed19d42273cfebcad
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  70.0652 C4H8N+ 1 70.0651 0.87
+  71.0489 C4H7O+ 1 71.0491 -2.83
+  74.0601 C3H8NO+ 1 74.06 0.23
+  80.0495 C5H6N+ 1 80.0495 -0.21
+  82.0652 C5H8N+ 1 82.0651 0.83
+  84.0443 C4H6NO+ 1 84.0444 -0.79
+  91.0542 C7H7+ 1 91.0542 -0.42
+  97.076 C5H9N2+ 1 97.076 -0.53
+  117.0699 C9H9+ 1 117.0699 0.23
+  119.0731 C8H9N+ 1 119.073 1.54
+  123.0917 C7H11N2+ 1 123.0917 0.15
+  124.0757 C7H10NO+ 1 124.0757 -0.03
+  125.0709 C6H9N2O+ 1 125.0709 -0.6
+  126.0914 C7H12NO+ 1 126.0913 0.44
+  134.0964 C9H12N+ 1 134.0964 -0.5
+  136.0392 C7H6NO2+ 1 136.0393 -0.53
+  139.0865 C7H11N2O+ 1 139.0866 -0.99
+  140.1069 C8H14NO+ 1 140.107 -0.9
+  141.1021 C7H13N2O+ 1 141.1022 -0.88
+  151.0865 C8H11N2O+ 1 151.0866 -0.55
+  153.0657 C7H9N2O2+ 1 153.0659 -1.05
+  167.0814 C8H11N2O2+ 1 167.0815 -0.43
+  168.1018 C9H14NO2+ 1 168.1019 -0.87
+  169.097 C8H13N2O2+ 1 169.0972 -0.65
+  179.0813 C9H11N2O2+ 1 179.0815 -0.9
+  197.0918 C9H13N2O3+ 1 197.0921 -1.28
+  200.1066 C13H14NO+ 2 200.107 -1.91
+  209.1281 C11H17N2O2+ 2 209.1285 -1.71
+  237.1229 C12H17N2O3+ 2 237.1234 -1.93
+  320.1609 C2H24N8O10+ 5 320.161 -0.35
+PK$NUM_PEAK: 30
+PK$PEAK: m/z int. rel.int.
+  70.0652 145973024 999
+  71.0489 1564502.1 10
+  74.0601 6517363.5 44
+  80.0495 2849957.2 19
+  82.0652 1671344.4 11
+  84.0443 2157282 14
+  91.0542 6621471.5 45
+  97.076 1480612.4 10
+  117.0699 6255520.5 42
+  119.0731 2284368 15
+  123.0917 2671724.5 18
+  124.0757 5600310 38
+  125.0709 2169341.2 14
+  126.0914 4094047 28
+  134.0964 70445504 482
+  136.0392 2841479.5 19
+  139.0865 1605208.1 10
+  140.1069 63900548 437
+  141.1021 7614676 52
+  151.0865 13636198 93
+  153.0657 3660802 25
+  167.0814 2292388.5 15
+  168.1018 17788084 121
+  169.097 21035446 143
+  179.0813 11920610 81
+  197.0918 6292067 43
+  200.1066 4251782 29
+  209.1281 2674060.5 18
+  237.1229 5386595.5 36
+  320.1609 1485044.9 10
+//
diff --git a/Eawag/MSBNK-MLU-ED234307.txt b/Eawag/MSBNK-MLU-ED234307.txt
new file mode 100644
index 0000000000..00abca9322
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED234307.txt
@@ -0,0 +1,99 @@
+ACCESSION: MSBNK-MLU-ED234307
+RECORD_TITLE: Insulapeptolide G; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], C. Mehner [dtc], G. M. Koenig  [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2343
+CH$NAME: Insulapeptolide G
+CH$NAME: (S)-N-((S)-1-(((1S,2S,5S,8S,11R,12S,15S,18S,21R)-5-benzyl-21-hydroxy-2-((R)-1-hydroxyethyl)-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-15-phenethyl-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-hydroxy-1-oxopropan-2-yl)-1-butyrylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C50H70N8O13
+CH$EXACT_MASS: 990.5062343
+CH$SMILES: CCCC(N1[C@H](C(N[C@H](C(N[C@@H]([C@H](OC([C@H](C(C)C)N2)=O)C)C(N[C@@H](CCC3=CC=CC=C3)C(N[C@@H]4C([N@@]([C@H](C(N(C)[C@H](C2=O)CC5=CC=CC=C5)=O)[C@@H](C)O)[C@H](O)CC4)=O)=O)=O)=O)CO)=O)CCC1)=O
+CH$IUPAC: InChI=1S/C50H70N8O13/c1-7-15-38(61)57-25-14-20-36(57)45(65)53-35(27-59)44(64)55-41-30(5)71-50(70)40(28(2)3)54-46(66)37(26-32-18-12-9-13-19-32)56(6)49(69)42(29(4)60)58-39(62)24-23-34(48(58)68)52-43(63)33(51-47(41)67)22-21-31-16-10-8-11-17-31/h8-13,16-19,28-30,33-37,39-42,59-60,62H,7,14-15,20-27H2,1-6H3,(H,51,67)(H,52,63)(H,53,65)(H,54,66)(H,55,64)/t29-,30-,33+,34+,35+,36+,37+,39-,40+,41+,42+/m1/s1
+CH$LINK: INCHIKEY FWWSPBIYNIQGJB-MZAIBGPZSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 68-1030
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.053 min
+MS$FOCUSED_ION: BASE_PEAK 973.5031
+MS$FOCUSED_ION: PRECURSOR_M/Z 991.5135
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 659368064.72
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00di-9600000000-a932f91c28d9e5f09b07
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  70.0652 C4H8N+ 1 70.0651 0.98
+  71.0491 C4H7O+ 1 71.0491 -0.36
+  74.0601 C3H8NO+ 1 74.06 0.34
+  80.0495 C5H6N+ 1 80.0495 -0.21
+  82.0651 C5H8N+ 1 82.0651 -0.38
+  84.0443 C4H6NO+ 1 84.0444 -0.97
+  91.0542 C7H7+ 1 91.0542 -0.42
+  96.0808 C6H10N+ 1 96.0808 -0.04
+  97.076 C5H9N2+ 1 97.076 0.18
+  106.0652 C7H8N+ 1 106.0651 0.44
+  117.0698 C9H9+ 1 117.0699 -0.29
+  119.0731 C8H9N+ 1 119.073 1.22
+  123.0917 C7H11N2+ 1 123.0917 -0.1
+  124.0756 C7H10NO+ 1 124.0757 -0.46
+  125.0708 C6H9N2O+ 1 125.0709 -1.33
+  126.0913 C7H12NO+ 1 126.0913 -0.17
+  134.0964 C9H12N+ 1 134.0964 -0.5
+  136.0392 C7H6NO2+ 1 136.0393 -0.76
+  139.0865 C7H11N2O+ 1 139.0866 -0.99
+  140.1068 C8H14NO+ 1 140.107 -1.01
+  141.1021 C7H13N2O+ 1 141.1022 -1.09
+  151.0865 C8H11N2O+ 1 151.0866 -0.65
+  153.0658 C7H9N2O2+ 1 153.0659 -0.56
+  167.0814 C8H11N2O2+ 1 167.0815 -0.79
+  168.1018 C9H14NO2+ 1 168.1019 -0.69
+  169.097 C8H13N2O2+ 1 169.0972 -0.65
+  179.0813 C9H11N2O2+ 1 179.0815 -0.98
+  200.1067 C13H14NO+ 1 200.107 -1.37
+  237.1233 C12H17N2O3+ 1 237.1234 -0.45
+PK$NUM_PEAK: 29
+PK$PEAK: m/z int. rel.int.
+  70.0652 178338928 999
+  71.0491 2501579 14
+  74.0601 9707867 54
+  80.0495 5813317 32
+  82.0651 2043547 11
+  84.0443 3463860.5 19
+  91.0542 11611062 65
+  96.0808 3499887.2 19
+  97.076 2069304.2 11
+  106.0652 2183277.2 12
+  117.0698 6403958.5 35
+  119.0731 3860808.2 21
+  123.0917 4952006.5 27
+  124.0756 6747370.5 37
+  125.0708 1783692.9 9
+  126.0913 3336860.2 18
+  134.0964 55086816 308
+  136.0392 2301944.8 12
+  139.0865 2335112.8 13
+  140.1068 25720204 144
+  141.1021 5030299 28
+  151.0865 13336212 74
+  153.0658 2250378.5 12
+  167.0814 2994554.8 16
+  168.1018 4108661.2 23
+  169.097 9056587 50
+  179.0813 4821596 27
+  200.1067 2751360.2 15
+  237.1233 1895750.2 10
+//
diff --git a/Eawag/MSBNK-MLU-ED234308.txt b/Eawag/MSBNK-MLU-ED234308.txt
new file mode 100644
index 0000000000..181f111120
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED234308.txt
@@ -0,0 +1,85 @@
+ACCESSION: MSBNK-MLU-ED234308
+RECORD_TITLE: Insulapeptolide G; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], C. Mehner [dtc], G. M. Koenig  [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2343
+CH$NAME: Insulapeptolide G
+CH$NAME: (S)-N-((S)-1-(((1S,2S,5S,8S,11R,12S,15S,18S,21R)-5-benzyl-21-hydroxy-2-((R)-1-hydroxyethyl)-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-15-phenethyl-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-hydroxy-1-oxopropan-2-yl)-1-butyrylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C50H70N8O13
+CH$EXACT_MASS: 990.5062343
+CH$SMILES: CCCC(N1[C@H](C(N[C@H](C(N[C@@H]([C@H](OC([C@H](C(C)C)N2)=O)C)C(N[C@@H](CCC3=CC=CC=C3)C(N[C@@H]4C([N@@]([C@H](C(N(C)[C@H](C2=O)CC5=CC=CC=C5)=O)[C@@H](C)O)[C@H](O)CC4)=O)=O)=O)=O)CO)=O)CCC1)=O
+CH$IUPAC: InChI=1S/C50H70N8O13/c1-7-15-38(61)57-25-14-20-36(57)45(65)53-35(27-59)44(64)55-41-30(5)71-50(70)40(28(2)3)54-46(66)37(26-32-18-12-9-13-19-32)56(6)49(69)42(29(4)60)58-39(62)24-23-34(48(58)68)52-43(63)33(51-47(41)67)22-21-31-16-10-8-11-17-31/h8-13,16-19,28-30,33-37,39-42,59-60,62H,7,14-15,20-27H2,1-6H3,(H,51,67)(H,52,63)(H,53,65)(H,54,66)(H,55,64)/t29-,30-,33+,34+,35+,36+,37+,39-,40+,41+,42+/m1/s1
+CH$LINK: INCHIKEY FWWSPBIYNIQGJB-MZAIBGPZSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 68-1030
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.053 min
+MS$FOCUSED_ION: BASE_PEAK 973.5031
+MS$FOCUSED_ION: PRECURSOR_M/Z 991.5135
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 659368064.72
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00di-9400000000-77191972b975bf348364
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  70.0652 C4H8N+ 1 70.0651 0.87
+  71.0492 C4H7O+ 1 71.0491 0.82
+  74.0601 C3H8NO+ 1 74.06 0.23
+  80.0495 C5H6N+ 1 80.0495 -0.21
+  82.0651 C5H8N+ 1 82.0651 -0.29
+  84.0444 C4H6NO+ 1 84.0444 -0.07
+  91.0542 C7H7+ 1 91.0542 -0.5
+  96.0808 C6H10N+ 1 96.0808 -0.12
+  97.076 C5H9N2+ 1 97.076 0.02
+  105.0698 C8H9+ 1 105.0699 -0.92
+  106.0651 C7H8N+ 1 106.0651 0.01
+  117.0698 C9H9+ 1 117.0699 -0.48
+  118.065 C8H8N+ 1 118.0651 -0.68
+  119.073 C8H9N+ 1 119.073 0.07
+  123.0916 C7H11N2+ 1 123.0917 -0.29
+  124.0757 C7H10NO+ 1 124.0757 -0.28
+  126.0913 C7H12NO+ 1 126.0913 -0.53
+  134.0963 C9H12N+ 1 134.0964 -0.61
+  140.1068 C8H14NO+ 1 140.107 -1.12
+  141.1022 C7H13N2O+ 1 141.1022 -0.01
+  151.0865 C8H11N2O+ 1 151.0866 -0.55
+  169.0972 C8H13N2O2+ 1 169.0972 -0.02
+PK$NUM_PEAK: 22
+PK$PEAK: m/z int. rel.int.
+  70.0652 167957248 999
+  71.0492 3381881.8 20
+  74.0601 9935789 59
+  80.0495 8446190 50
+  82.0651 2346569.8 13
+  84.0444 4196141.5 24
+  91.0542 15273813 90
+  96.0808 4334519.5 25
+  97.076 2326170.8 13
+  105.0698 2312299.8 13
+  106.0651 2994820.5 17
+  117.0698 6013190.5 35
+  118.065 1936273.2 11
+  119.073 7637711 45
+  123.0916 4098205.8 24
+  124.0757 6907987.5 41
+  126.0913 2762034.8 16
+  134.0963 41092180 244
+  140.1068 9262697 55
+  141.1022 2570725.8 15
+  151.0865 6916841 41
+  169.0972 3063015.2 18
+//
diff --git a/Eawag/MSBNK-MLU-ED234309.txt b/Eawag/MSBNK-MLU-ED234309.txt
new file mode 100644
index 0000000000..12b7f230ec
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED234309.txt
@@ -0,0 +1,79 @@
+ACCESSION: MSBNK-MLU-ED234309
+RECORD_TITLE: Insulapeptolide G; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], C. Mehner [dtc], G. M. Koenig  [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2343
+CH$NAME: Insulapeptolide G
+CH$NAME: (S)-N-((S)-1-(((1S,2S,5S,8S,11R,12S,15S,18S,21R)-5-benzyl-21-hydroxy-2-((R)-1-hydroxyethyl)-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-15-phenethyl-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-hydroxy-1-oxopropan-2-yl)-1-butyrylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C50H70N8O13
+CH$EXACT_MASS: 990.5062343
+CH$SMILES: CCCC(N1[C@H](C(N[C@H](C(N[C@@H]([C@H](OC([C@H](C(C)C)N2)=O)C)C(N[C@@H](CCC3=CC=CC=C3)C(N[C@@H]4C([N@@]([C@H](C(N(C)[C@H](C2=O)CC5=CC=CC=C5)=O)[C@@H](C)O)[C@H](O)CC4)=O)=O)=O)=O)CO)=O)CCC1)=O
+CH$IUPAC: InChI=1S/C50H70N8O13/c1-7-15-38(61)57-25-14-20-36(57)45(65)53-35(27-59)44(64)55-41-30(5)71-50(70)40(28(2)3)54-46(66)37(26-32-18-12-9-13-19-32)56(6)49(69)42(29(4)60)58-39(62)24-23-34(48(58)68)52-43(63)33(51-47(41)67)22-21-31-16-10-8-11-17-31/h8-13,16-19,28-30,33-37,39-42,59-60,62H,7,14-15,20-27H2,1-6H3,(H,51,67)(H,52,63)(H,53,65)(H,54,66)(H,55,64)/t29-,30-,33+,34+,35+,36+,37+,39-,40+,41+,42+/m1/s1
+CH$LINK: INCHIKEY FWWSPBIYNIQGJB-MZAIBGPZSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 68-1030
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.053 min
+MS$FOCUSED_ION: BASE_PEAK 973.5031
+MS$FOCUSED_ION: PRECURSOR_M/Z 991.5135
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 659368064.72
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00di-9300000000-51bbeb05060d4ca5ed23
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  70.0652 C4H8N+ 1 70.0651 0.54
+  71.0491 C4H7O+ 1 71.0491 0.07
+  74.0601 C3H8NO+ 1 74.06 0.23
+  80.0495 C5H6N+ 1 80.0495 -0.31
+  82.0651 C5H8N+ 1 82.0651 -0.85
+  84.0444 C4H6NO+ 1 84.0444 -0.34
+  91.0542 C7H7+ 1 91.0542 -0.16
+  96.0807 C6H10N+ 1 96.0808 -0.52
+  105.0699 C8H9+ 1 105.0699 0.02
+  106.0651 C7H8N+ 1 106.0651 -0.71
+  117.0699 C9H9+ 1 117.0699 -0.16
+  118.0651 C8H8N+ 1 118.0651 -0.49
+  119.0729 C8H9N+ 1 119.073 -0.06
+  123.0917 C7H11N2+ 1 123.0917 0.08
+  124.0757 C7H10NO+ 1 124.0757 0.09
+  126.0914 C7H12NO+ 1 126.0913 0.8
+  134.0963 C9H12N+ 1 134.0964 -0.72
+  140.1068 C8H14NO+ 1 140.107 -1.12
+  151.0865 C8H11N2O+ 1 151.0866 -0.65
+PK$NUM_PEAK: 19
+PK$PEAK: m/z int. rel.int.
+  70.0652 186208720 999
+  71.0491 4001099.5 21
+  74.0601 8008619.5 42
+  80.0495 11420595 61
+  82.0651 2909462 15
+  84.0444 4090451.2 21
+  91.0542 22732696 121
+  96.0807 6252420.5 33
+  105.0699 3311004 17
+  106.0651 3209230.2 17
+  117.0699 6417631 34
+  118.0651 2850453.8 15
+  119.0729 12116828 65
+  123.0917 3680067.5 19
+  124.0757 7381286 39
+  126.0914 2171378.2 11
+  134.0963 33920956 181
+  140.1068 3531983.8 18
+  151.0865 3332202.5 17
+//
diff --git a/Eawag/MSBNK-MLU-ED234351.txt b/Eawag/MSBNK-MLU-ED234351.txt
new file mode 100644
index 0000000000..118bff0208
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED234351.txt
@@ -0,0 +1,51 @@
+ACCESSION: MSBNK-MLU-ED234351
+RECORD_TITLE: Insulapeptolide G; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], C. Mehner [dtc], G. M. Koenig  [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2343
+CH$NAME: Insulapeptolide G
+CH$NAME: (S)-N-((S)-1-(((1S,2S,5S,8S,11R,12S,15S,18S,21R)-5-benzyl-21-hydroxy-2-((R)-1-hydroxyethyl)-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-15-phenethyl-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-hydroxy-1-oxopropan-2-yl)-1-butyrylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C50H70N8O13
+CH$EXACT_MASS: 990.5062343
+CH$SMILES: CCCC(N1[C@H](C(N[C@H](C(N[C@@H]([C@H](OC([C@H](C(C)C)N2)=O)C)C(N[C@@H](CCC3=CC=CC=C3)C(N[C@@H]4C([N@@]([C@H](C(N(C)[C@H](C2=O)CC5=CC=CC=C5)=O)[C@@H](C)O)[C@H](O)CC4)=O)=O)=O)=O)CO)=O)CCC1)=O
+CH$IUPAC: InChI=1S/C50H70N8O13/c1-7-15-38(61)57-25-14-20-36(57)45(65)53-35(27-59)44(64)55-41-30(5)71-50(70)40(28(2)3)54-46(66)37(26-32-18-12-9-13-19-32)56(6)49(69)42(29(4)60)58-39(62)24-23-34(48(58)68)52-43(63)33(51-47(41)67)22-21-31-16-10-8-11-17-31/h8-13,16-19,28-30,33-37,39-42,59-60,62H,7,14-15,20-27H2,1-6H3,(H,51,67)(H,52,63)(H,53,65)(H,54,66)(H,55,64)/t29-,30-,33+,34+,35+,36+,37+,39-,40+,41+,42+/m1/s1
+CH$LINK: INCHIKEY FWWSPBIYNIQGJB-MZAIBGPZSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 68-1025
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.033 min
+MS$FOCUSED_ION: BASE_PEAK 989.4986
+MS$FOCUSED_ION: PRECURSOR_M/Z 989.499
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 989152860.12
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-000j-0000000009-b719d58d54b2caee072c
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  672.3365 C32H46N7O9- 9 672.3362 0.37
+  915.4629 C49H65N5O12- 2 915.4635 -0.68
+  945.4731 C48H65N8O12- 2 945.4727 0.33
+  959.4919 C49H67N8O12- 1 959.4884 3.69
+  989.4992 C50H69N8O13- 1 989.499 0.23
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  672.3365 8858175 42
+  915.4629 16084931 76
+  945.4731 151502544 718
+  959.4919 6275008 29
+  989.4992 210616864 999
+//
diff --git a/Eawag/MSBNK-MLU-ED234352.txt b/Eawag/MSBNK-MLU-ED234352.txt
new file mode 100644
index 0000000000..94502721b7
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED234352.txt
@@ -0,0 +1,67 @@
+ACCESSION: MSBNK-MLU-ED234352
+RECORD_TITLE: Insulapeptolide G; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], C. Mehner [dtc], G. M. Koenig  [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2343
+CH$NAME: Insulapeptolide G
+CH$NAME: (S)-N-((S)-1-(((1S,2S,5S,8S,11R,12S,15S,18S,21R)-5-benzyl-21-hydroxy-2-((R)-1-hydroxyethyl)-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-15-phenethyl-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-hydroxy-1-oxopropan-2-yl)-1-butyrylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C50H70N8O13
+CH$EXACT_MASS: 990.5062343
+CH$SMILES: CCCC(N1[C@H](C(N[C@H](C(N[C@@H]([C@H](OC([C@H](C(C)C)N2)=O)C)C(N[C@@H](CCC3=CC=CC=C3)C(N[C@@H]4C([N@@]([C@H](C(N(C)[C@H](C2=O)CC5=CC=CC=C5)=O)[C@@H](C)O)[C@H](O)CC4)=O)=O)=O)=O)CO)=O)CCC1)=O
+CH$IUPAC: InChI=1S/C50H70N8O13/c1-7-15-38(61)57-25-14-20-36(57)45(65)53-35(27-59)44(64)55-41-30(5)71-50(70)40(28(2)3)54-46(66)37(26-32-18-12-9-13-19-32)56(6)49(69)42(29(4)60)58-39(62)24-23-34(48(58)68)52-43(63)33(51-47(41)67)22-21-31-16-10-8-11-17-31/h8-13,16-19,28-30,33-37,39-42,59-60,62H,7,14-15,20-27H2,1-6H3,(H,51,67)(H,52,63)(H,53,65)(H,54,66)(H,55,64)/t29-,30-,33+,34+,35+,36+,37+,39-,40+,41+,42+/m1/s1
+CH$LINK: INCHIKEY FWWSPBIYNIQGJB-MZAIBGPZSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 68-1025
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.033 min
+MS$FOCUSED_ION: BASE_PEAK 989.4986
+MS$FOCUSED_ION: PRECURSOR_M/Z 989.499
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 989152860.12
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-000l-0000006009-e16a1564cad9e7c80705
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  429.2136 C23H25N8O- 6 429.2157 -4.92
+  642.3259 C32H50O13- 9 642.3257 0.38
+  672.3363 C32H46N7O9- 11 672.3362 0.1
+  686.3519 C33H48N7O9- 11 686.3519 0.07
+  691.3444 C48H43N4O- 10 691.3442 0.3
+  692.3324 C42H42N7O3- 8 692.3355 -4.49
+  901.447 C46H61N8O11- 3 901.4465 0.54
+  915.4635 C49H65N5O12- 2 915.4635 -0.02
+  916.4661 C47H64N8O11- 1 916.47 -4.23
+  946.4761 C48H66N8O12- 1 946.4806 -4.71
+  959.4888 C49H67N8O12- 1 959.4884 0.39
+  971.489 C50H67N8O12- 1 971.4884 0.65
+  989.4997 C50H69N8O13- 1 989.499 0.72
+PK$NUM_PEAK: 13
+PK$PEAK: m/z int. rel.int.
+  429.2136 2011156.5 25
+  642.3259 65154192 821
+  672.3363 5608441 70
+  686.3519 31448746 396
+  691.3444 1711125.8 21
+  692.3324 1259313.9 15
+  901.447 6713399.5 84
+  915.4635 34796912 438
+  916.4661 2685679.5 33
+  946.4761 8610305 108
+  959.4888 16557212 208
+  971.489 4159881.5 52
+  989.4997 79187272 999
+//
diff --git a/Eawag/MSBNK-MLU-ED234353.txt b/Eawag/MSBNK-MLU-ED234353.txt
new file mode 100644
index 0000000000..799a068d0f
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED234353.txt
@@ -0,0 +1,81 @@
+ACCESSION: MSBNK-MLU-ED234353
+RECORD_TITLE: Insulapeptolide G; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], C. Mehner [dtc], G. M. Koenig  [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2343
+CH$NAME: Insulapeptolide G
+CH$NAME: (S)-N-((S)-1-(((1S,2S,5S,8S,11R,12S,15S,18S,21R)-5-benzyl-21-hydroxy-2-((R)-1-hydroxyethyl)-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-15-phenethyl-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-hydroxy-1-oxopropan-2-yl)-1-butyrylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C50H70N8O13
+CH$EXACT_MASS: 990.5062343
+CH$SMILES: CCCC(N1[C@H](C(N[C@H](C(N[C@@H]([C@H](OC([C@H](C(C)C)N2)=O)C)C(N[C@@H](CCC3=CC=CC=C3)C(N[C@@H]4C([N@@]([C@H](C(N(C)[C@H](C2=O)CC5=CC=CC=C5)=O)[C@@H](C)O)[C@H](O)CC4)=O)=O)=O)=O)CO)=O)CCC1)=O
+CH$IUPAC: InChI=1S/C50H70N8O13/c1-7-15-38(61)57-25-14-20-36(57)45(65)53-35(27-59)44(64)55-41-30(5)71-50(70)40(28(2)3)54-46(66)37(26-32-18-12-9-13-19-32)56(6)49(69)42(29(4)60)58-39(62)24-23-34(48(58)68)52-43(63)33(51-47(41)67)22-21-31-16-10-8-11-17-31/h8-13,16-19,28-30,33-37,39-42,59-60,62H,7,14-15,20-27H2,1-6H3,(H,51,67)(H,52,63)(H,53,65)(H,54,66)(H,55,64)/t29-,30-,33+,34+,35+,36+,37+,39-,40+,41+,42+/m1/s1
+CH$LINK: INCHIKEY FWWSPBIYNIQGJB-MZAIBGPZSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 68-1025
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.033 min
+MS$FOCUSED_ION: BASE_PEAK 989.4986
+MS$FOCUSED_ION: PRECURSOR_M/Z 989.499
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 989152860.12
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-014j-0000001009-752aa4f70830d5944f76
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  183.1122 C7H13N5O- 1 183.1126 -1.75
+  217.0962 C10H11N5O- 3 217.0969 -3.1
+  240.1337 C9H16N6O2- 2 240.134 -1.28
+  256.0965 C13H12N4O2- 2 256.0966 -0.14
+  323.1715 C14H27O8- 3 323.1711 1.17
+  353.183 C16H25N4O5- 5 353.183 -0.13
+  429.2141 C23H25N8O- 6 429.2157 -3.78
+  586.2988 C42H38N2O- 8 586.299 -0.31
+  608.3088 C32H42N5O7- 8 608.309 -0.21
+  686.352 C33H48N7O9- 11 686.3519 0.16
+  692.3338 C42H42N7O3- 7 692.3355 -2.46
+  901.4467 C46H61N8O11- 3 901.4465 0.2
+  915.4629 C49H65N5O12- 2 915.4635 -0.68
+  916.4665 C47H64N8O11- 1 916.47 -3.83
+  927.4624 C48H63N8O11- 2 927.4622 0.26
+  945.4731 C48H65N8O12- 2 945.4727 0.33
+  946.4767 C48H66N8O12- 1 946.4806 -4.06
+  959.4884 C49H67N8O12- 1 959.4884 0
+  971.4862 C50H67N8O12- 1 971.4884 -2.3
+  989.4997 C50H69N8O13- 1 989.499 0.78
+PK$NUM_PEAK: 20
+PK$PEAK: m/z int. rel.int.
+  183.1122 1246432.2 13
+  217.0962 1489028 16
+  240.1337 1736453.4 19
+  256.0965 2253930.8 25
+  323.1715 14480391 161
+  353.183 1698432.8 18
+  429.2141 2330319.8 25
+  586.2988 4709142.5 52
+  608.3088 18126260 201
+  686.352 12633769 140
+  692.3338 3834320 42
+  901.4467 6561663.5 73
+  915.4629 89772816 999
+  916.4665 6072815.5 67
+  927.4624 16310314 181
+  945.4731 56769300 631
+  946.4767 4188782.5 46
+  959.4884 10973053 122
+  971.4862 2153811.8 23
+  989.4997 12086166 134
+//
diff --git a/Eawag/MSBNK-MLU-ED234354.txt b/Eawag/MSBNK-MLU-ED234354.txt
new file mode 100644
index 0000000000..ffd7de8eff
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED234354.txt
@@ -0,0 +1,125 @@
+ACCESSION: MSBNK-MLU-ED234354
+RECORD_TITLE: Insulapeptolide G; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], C. Mehner [dtc], G. M. Koenig  [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2343
+CH$NAME: Insulapeptolide G
+CH$NAME: (S)-N-((S)-1-(((1S,2S,5S,8S,11R,12S,15S,18S,21R)-5-benzyl-21-hydroxy-2-((R)-1-hydroxyethyl)-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-15-phenethyl-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-hydroxy-1-oxopropan-2-yl)-1-butyrylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C50H70N8O13
+CH$EXACT_MASS: 990.5062343
+CH$SMILES: CCCC(N1[C@H](C(N[C@H](C(N[C@@H]([C@H](OC([C@H](C(C)C)N2)=O)C)C(N[C@@H](CCC3=CC=CC=C3)C(N[C@@H]4C([N@@]([C@H](C(N(C)[C@H](C2=O)CC5=CC=CC=C5)=O)[C@@H](C)O)[C@H](O)CC4)=O)=O)=O)=O)CO)=O)CCC1)=O
+CH$IUPAC: InChI=1S/C50H70N8O13/c1-7-15-38(61)57-25-14-20-36(57)45(65)53-35(27-59)44(64)55-41-30(5)71-50(70)40(28(2)3)54-46(66)37(26-32-18-12-9-13-19-32)56(6)49(69)42(29(4)60)58-39(62)24-23-34(48(58)68)52-43(63)33(51-47(41)67)22-21-31-16-10-8-11-17-31/h8-13,16-19,28-30,33-37,39-42,59-60,62H,7,14-15,20-27H2,1-6H3,(H,51,67)(H,52,63)(H,53,65)(H,54,66)(H,55,64)/t29-,30-,33+,34+,35+,36+,37+,39-,40+,41+,42+/m1/s1
+CH$LINK: INCHIKEY FWWSPBIYNIQGJB-MZAIBGPZSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 68-1025
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.033 min
+MS$FOCUSED_ION: BASE_PEAK 989.4986
+MS$FOCUSED_ION: PRECURSOR_M/Z 989.499
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 989152860.12
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-05mo-0346009005-8e64a7586075a14c3509
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  84.0077 CN4O- 1 84.0078 -0.15
+  99.0551 C2H5N5- 1 99.055 0.47
+  113.034 C2H3N5O- 1 113.0343 -2.38
+  113.0704 C3H7N5- 1 113.0707 -2.38
+  116.0704 C3H8N4O- 1 116.0704 0.03
+  125.034 C3H3N5O- 1 125.0343 -2.39
+  139.05 C4H5N5O- 1 139.05 -0.01
+  140.0339 C4H4N4O2- 1 140.034 -0.34
+  144.0767 C3H8N6O- 1 144.0765 1.05
+  151.05 C5H5N5O- 1 151.05 -0.05
+  170.0552 C4H6N6O2- 2 170.0558 -3.65
+  170.0922 C5H10N6O- 1 170.0922 -0.02
+  178.0856 C8H10N4O- 1 178.086 -2.46
+  182.0916 C6H10N6O- 2 182.0922 -3.28
+  183.1124 C7H13N5O- 1 183.1126 -0.75
+  184.0709 C5H8N6O2- 2 184.0714 -2.57
+  200.0702 C10H8N4O- 1 200.0704 -0.98
+  202.1224 C11H14N4- 1 202.1224 0.06
+  217.0968 C10H11N5O- 1 217.0969 -0.5
+  223.1071 C9H13N5O2- 3 223.1075 -1.59
+  240.1338 C9H16N6O2- 2 240.134 -0.96
+  246.1116 C12H14N4O2- 3 246.1122 -2.67
+  253.1292 C9H15N7O2- 2 253.1293 -0.15
+  256.0965 C13H12N4O2- 4 256.0966 -0.26
+  273.124 H23N3O13- 4 273.1236 1.38
+  277.154 C13H19N5O2- 4 277.1544 -1.41
+  280.1285 C11H16N6O3- 2 280.1289 -1.64
+  305.1609 H27N5O13- 4 305.1611 -0.63
+  311.1726 C14H23N4O4- 5 311.1725 0.33
+  312.1707 C3H28N4O12- 6 312.1709 -0.6
+  323.1715 C14H27O8- 3 323.1711 1.17
+  327.1457 C2H25N5O13- 4 327.1454 0.9
+  330.1445 C15H18N6O3- 4 330.1446 -0.29
+  361.1878 C18H25N4O4- 6 361.1881 -1.02
+  362.1835 C17H24N5O4- 5 362.1834 0.31
+  368.1936 C16H26N5O5- 4 368.1939 -1.02
+  447.2235 C20H29N7O5- 4 447.2236 -0.25
+  608.3088 C32H42N5O7- 8 608.309 -0.21
+  642.3257 C32H50O13- 11 642.3257 0
+  915.463 C49H65N5O12- 2 915.4635 -0.62
+  927.4627 C48H63N8O11- 2 927.4622 0.59
+  945.4728 C48H65N8O12- 2 945.4727 0.08
+PK$NUM_PEAK: 42
+PK$PEAK: m/z int. rel.int.
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+  99.0551 1094077 22
+  113.034 1143293 23
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+  178.0856 648952.6 13
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+  200.0702 661602 13
+  202.1224 1150589.1 23
+  217.0968 5977224 122
+  223.1071 4075341.2 83
+  240.1338 4824671.5 99
+  246.1116 1307667.8 26
+  253.1292 1451255.5 29
+  256.0965 4658807.5 95
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+  277.154 3744418.2 76
+  280.1285 743922.6 15
+  305.1609 14457630 297
+  311.1726 1449046 29
+  312.1707 701192.6 14
+  323.1715 19217114 395
+  327.1457 980918.5 20
+  330.1445 739787.1 15
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+  362.1835 2105866.5 43
+  368.1936 2717627.5 55
+  447.2235 1478951.2 30
+  608.3088 16463539 338
+  642.3257 48585212 999
+  915.463 30937986 636
+  927.4627 3086766.8 63
+  945.4728 3561547.5 73
+//
diff --git a/Eawag/MSBNK-MLU-ED234355.txt b/Eawag/MSBNK-MLU-ED234355.txt
new file mode 100644
index 0000000000..835fa9430b
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED234355.txt
@@ -0,0 +1,229 @@
+ACCESSION: MSBNK-MLU-ED234355
+RECORD_TITLE: Insulapeptolide G; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], C. Mehner [dtc], G. M. Koenig  [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2343
+CH$NAME: Insulapeptolide G
+CH$NAME: (S)-N-((S)-1-(((1S,2S,5S,8S,11R,12S,15S,18S,21R)-5-benzyl-21-hydroxy-2-((R)-1-hydroxyethyl)-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-15-phenethyl-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-hydroxy-1-oxopropan-2-yl)-1-butyrylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C50H70N8O13
+CH$EXACT_MASS: 990.5062343
+CH$SMILES: CCCC(N1[C@H](C(N[C@H](C(N[C@@H]([C@H](OC([C@H](C(C)C)N2)=O)C)C(N[C@@H](CCC3=CC=CC=C3)C(N[C@@H]4C([N@@]([C@H](C(N(C)[C@H](C2=O)CC5=CC=CC=C5)=O)[C@@H](C)O)[C@H](O)CC4)=O)=O)=O)=O)CO)=O)CCC1)=O
+CH$IUPAC: InChI=1S/C50H70N8O13/c1-7-15-38(61)57-25-14-20-36(57)45(65)53-35(27-59)44(64)55-41-30(5)71-50(70)40(28(2)3)54-46(66)37(26-32-18-12-9-13-19-32)56(6)49(69)42(29(4)60)58-39(62)24-23-34(48(58)68)52-43(63)33(51-47(41)67)22-21-31-16-10-8-11-17-31/h8-13,16-19,28-30,33-37,39-42,59-60,62H,7,14-15,20-27H2,1-6H3,(H,51,67)(H,52,63)(H,53,65)(H,54,66)(H,55,64)/t29-,30-,33+,34+,35+,36+,37+,39-,40+,41+,42+/m1/s1
+CH$LINK: INCHIKEY FWWSPBIYNIQGJB-MZAIBGPZSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 68-1025
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.033 min
+MS$FOCUSED_ION: BASE_PEAK 989.4986
+MS$FOCUSED_ION: PRECURSOR_M/Z 989.499
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 989152860.12
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-01b9-1961000000-12f76994be01cef40d86
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  69.0332 C2H3N3- 1 69.0332 -0.13
+  73.0391 H3N5- 1 73.0394 -4.45
+  74.0233 H2N4O- 1 74.0234 -2.03
+  83.0237 CHN5- 1 83.0237 -0.04
+  84.0077 CN4O- 1 84.0078 -0.79
+  85.0394 CH3N5- 1 85.0394 -0.49
+  86.0598 C2H6N4- 1 86.0598 0.01
+  87.055 CH5N5- 1 87.055 -0.4
+  99.0186 CHN5O- 1 99.0187 -0.52
+  99.0551 C2H5N5- 1 99.055 0.32
+  100.0391 C2H4N4O- 1 100.0391 0.64
+  108.0441 C4H4N4- 1 108.0441 -0.8
+  109.0395 C3H3N5- 1 109.0394 1.08
+  110.0236 C3H2N4O- 1 110.0234 1.6
+  111.0187 C2HN5O- 1 111.0187 0
+  111.0551 C3H5N5- 1 111.055 0.13
+  112.0265 C2H2N5O- 1 112.0265 -0.15
+  113.0343 C2H3N5O- 1 113.0343 -0.08
+  113.0707 C3H7N5- 1 113.0707 0.04
+  114.0547 C3H6N4O- 1 114.0547 -0.29
+  116.0704 C3H8N4O- 1 116.0704 0.1
+  121.0396 C4H3N5- 1 121.0394 1.56
+  123.0548 C4H5N5- 1 123.055 -1.6
+  124.0391 C4H4N4O- 1 124.0391 0.44
+  125.0343 C3H3N5O- 1 125.0343 -0.19
+  125.0706 C4H7N5- 1 125.0707 -0.45
+  127.05 C3H5N5O- 1 127.05 0.42
+  131.0488 C7H5N3- 1 131.0489 -0.6
+  136.0389 C5H4N4O- 1 136.0391 -0.89
+  137.0345 C4H3N5O- 1 137.0343 1.43
+  138.0658 C4H6N6- 1 138.0659 -0.88
+  139.05 C4H5N5O- 1 139.05 0.54
+  140.0341 C4H4N4O2- 1 140.034 0.97
+  141.102 C5H11N5- 1 141.102 -0.27
+  142.0608 C3H6N6O- 1 142.0609 -0.45
+  144.0766 C3H8N6O- 1 144.0765 0.73
+  147.044 C7H5N3O- 1 147.0438 1.62
+  151.0499 C5H5N5O- 1 151.05 -0.15
+  152.0339 C5H4N4O2- 1 152.034 -0.78
+  153.0659 C5H7N5O- 1 153.0656 1.92
+  154.0608 C4H6N6O- 1 154.0609 -0.42
+  156.0765 C4H8N6O- 1 156.0765 -0.34
+  160.0753 C8H8N4- 1 160.0754 -0.85
+  166.061 C5H6N6O- 1 166.0609 0.73
+  166.0853 C6H14O5- 3 166.0847 4.06
+  170.0559 C4H6N6O2- 1 170.0558 0.48
+  170.0921 C5H10N6O- 1 170.0922 -0.11
+  171.0769 C5H9N5O2- 2 171.0762 4.42
+  174.0909 C9H10N4- 1 174.0911 -1.29
+  177.1023 C8H11N5- 1 177.102 1.77
+  178.0859 C8H10N4O- 1 178.086 -0.4
+  182.0559 C5H6N6O2- 1 182.0558 0.88
+  182.092 C6H10N6O- 1 182.0922 -0.93
+  183.0637 C5H7N6O2- 1 183.0636 0.4
+  183.1125 C7H13N5O- 1 183.1126 -0.5
+  184.0715 C5H8N6O2- 1 184.0714 0.17
+  187.0867 C9H9N5- 1 187.0863 2.07
+  189.1028 C9H11N5- 2 189.102 4.1
+  199.086 C10H9N5- 1 199.0863 -1.64
+  200.0703 C10H8N4O- 1 200.0704 -0.22
+  201.0988 C6H17O7- 3 201.098 4.04
+  202.1222 C11H14N4- 1 202.1224 -0.77
+  203.081 C9H9N5O- 1 203.0813 -1.14
+  210.1234 C8H14N6O- 1 210.1235 -0.09
+  212.1064 C12H12N4- 2 212.1067 -1.67
+  213.1016 C11H11N5- 2 213.102 -1.93
+  217.0967 C10H11N5O- 1 217.0969 -0.85
+  223.1072 C9H13N5O2- 3 223.1075 -1.04
+  227.0789 C8H11N4O4- 3 227.0786 1.32
+  227.1137 C8H19O7- 2 227.1136 0.38
+  229.0972 C11H11N5O- 2 229.0969 1.24
+  239.0789 C9H11N4O4- 3 239.0786 1.41
+  240.1339 C9H16N6O2- 2 240.134 -0.58
+  243.112 C12H13N5O- 3 243.1126 -2.46
+  246.1116 C12H14N4O2- 3 246.1122 -2.54
+  248.1392 C11H16N6O- 1 248.1391 0.3
+  253.1292 C9H15N7O2- 2 253.1293 -0.27
+  256.0966 C13H12N4O2- 2 256.0966 -0.02
+  258.1203 C9H16N5O4- 3 258.1208 -1.89
+  260.1392 C12H16N6O- 2 260.1391 0.32
+  270.1228 C13H14N6O- 3 270.1235 -2.57
+  273.1236 H23N3O13- 3 273.1236 -0.3
+  274.1186 C12H14N6O2- 2 274.1184 0.94
+  277.1542 C13H19N5O2- 4 277.1544 -0.64
+  297.1552 C11H19N7O3- 3 297.1555 -1
+  298.1511 C11H24NO8- 3 298.1507 1.35
+  323.1717 C14H27O8- 3 323.1711 1.64
+  327.1455 C2H25N5O13- 5 327.1454 0.24
+  330.1442 C15H18N6O3- 3 330.1446 -1.03
+  361.1885 C18H25N4O4- 6 361.1881 1.1
+  368.1931 C16H26N5O5- 4 368.1939 -2.35
+  586.2987 C42H38N2O- 8 586.299 -0.41
+  608.3096 C32H42N5O7- 7 608.309 1.09
+  691.344 C48H43N4O- 9 691.3442 -0.41
+PK$NUM_PEAK: 94
+PK$PEAK: m/z int. rel.int.
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+  73.0391 1395476.5 49
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+  116.0704 21943008 778
+  121.0396 1749203.2 62
+  123.0548 1797142.5 63
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+  125.0343 3418713 121
+  125.0706 1732129.2 61
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+  131.0488 1177717.5 41
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+  137.0345 670684.9 23
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+  166.061 649192.9 23
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+  171.0769 1230348.8 43
+  174.0909 450284.7 15
+  177.1023 2878311.2 102
+  178.0859 2840304 100
+  182.0559 1624958.6 57
+  182.092 6255051.5 221
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+  258.1203 613197.1 21
+  260.1392 1519677.6 53
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+  298.1511 4786783 169
+  323.1717 5658352 200
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+  368.1931 3911568.8 138
+  586.2987 4039114 143
+  608.3096 2792438.8 99
+  691.344 2601323.8 92
+//
diff --git a/Eawag/MSBNK-MLU-ED234356.txt b/Eawag/MSBNK-MLU-ED234356.txt
new file mode 100644
index 0000000000..091015c8b7
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED234356.txt
@@ -0,0 +1,215 @@
+ACCESSION: MSBNK-MLU-ED234356
+RECORD_TITLE: Insulapeptolide G; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], C. Mehner [dtc], G. M. Koenig  [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2343
+CH$NAME: Insulapeptolide G
+CH$NAME: (S)-N-((S)-1-(((1S,2S,5S,8S,11R,12S,15S,18S,21R)-5-benzyl-21-hydroxy-2-((R)-1-hydroxyethyl)-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-15-phenethyl-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-hydroxy-1-oxopropan-2-yl)-1-butyrylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C50H70N8O13
+CH$EXACT_MASS: 990.5062343
+CH$SMILES: CCCC(N1[C@H](C(N[C@H](C(N[C@@H]([C@H](OC([C@H](C(C)C)N2)=O)C)C(N[C@@H](CCC3=CC=CC=C3)C(N[C@@H]4C([N@@]([C@H](C(N(C)[C@H](C2=O)CC5=CC=CC=C5)=O)[C@@H](C)O)[C@H](O)CC4)=O)=O)=O)=O)CO)=O)CCC1)=O
+CH$IUPAC: InChI=1S/C50H70N8O13/c1-7-15-38(61)57-25-14-20-36(57)45(65)53-35(27-59)44(64)55-41-30(5)71-50(70)40(28(2)3)54-46(66)37(26-32-18-12-9-13-19-32)56(6)49(69)42(29(4)60)58-39(62)24-23-34(48(58)68)52-43(63)33(51-47(41)67)22-21-31-16-10-8-11-17-31/h8-13,16-19,28-30,33-37,39-42,59-60,62H,7,14-15,20-27H2,1-6H3,(H,51,67)(H,52,63)(H,53,65)(H,54,66)(H,55,64)/t29-,30-,33+,34+,35+,36+,37+,39-,40+,41+,42+/m1/s1
+CH$LINK: INCHIKEY FWWSPBIYNIQGJB-MZAIBGPZSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 68-1025
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.033 min
+MS$FOCUSED_ION: BASE_PEAK 989.4986
+MS$FOCUSED_ION: PRECURSOR_M/Z 989.499
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 989152860.12
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-044u-1930000000-caa4756430673dc98d3a
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  69.0331 C2H3N3- 1 69.0332 -2.45
+  70.0284 CH2N4- 1 70.0285 -1.48
+  71.0237 HN5- 1 71.0237 -0.33
+  73.0394 H3N5- 1 73.0394 0.77
+  74.0233 H2N4O- 1 74.0234 -0.9
+  82.0286 C2H2N4- 1 82.0285 0.75
+  83.0238 CHN5- 1 83.0237 0.6
+  84.0077 CN4O- 1 84.0078 -0.7
+  85.0394 CH3N5- 1 85.0394 0.23
+  86.0599 C2H6N4- 1 86.0598 0.81
+  87.055 CH5N5- 1 87.055 0.04
+  96.0439 C3H4N4- 1 96.0441 -2.8
+  97.0392 C2H3N5- 1 97.0394 -2.29
+  99.0187 CHN5O- 1 99.0187 0.79
+  99.0551 C2H5N5- 1 99.055 0.78
+  100.039 C2H4N4O- 1 100.0391 -0.43
+  109.0395 C3H3N5- 1 109.0394 0.87
+  111.0187 C2HN5O- 1 111.0187 0.14
+  111.0548 C3H5N5- 1 111.055 -1.87
+  112.0266 C2H2N5O- 1 112.0265 1.41
+  112.0389 C3H4N4O- 1 112.0391 -1.2
+  113.0344 C2H3N5O- 1 113.0343 0.53
+  113.0707 C3H7N5- 1 113.0707 0.11
+  114.0548 C3H6N4O- 1 114.0547 0.44
+  115.0497 C2H5N5O- 1 115.05 -2.03
+  116.0704 C3H8N4O- 1 116.0704 0.62
+  121.0394 C4H3N5- 1 121.0394 -0.15
+  123.055 C4H5N5- 1 123.055 0.01
+  124.0388 C4H4N4O- 1 124.0391 -1.84
+  125.0343 C3H3N5O- 1 125.0343 0.23
+  125.0705 C4H7N5- 1 125.0707 -1.42
+  127.0501 C3H5N5O- 1 127.05 1.08
+  127.0861 C4H9N5- 1 127.0863 -1.69
+  136.039 C5H4N4O- 1 136.0391 -0.44
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+  137.0708 C5H7N5- 1 137.0707 0.58
+  138.066 C4H6N6- 1 138.0659 0.44
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+  141.1022 C5H11N5- 1 141.102 1.35
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+  147.0432 C7H5N3O- 1 147.0438 -4.09
+  151.0502 C5H5N5O- 1 151.05 1.46
+  152.0818 C5H8N6- 1 152.0816 1.65
+  153.0657 C5H7N5O- 1 153.0656 0.42
+  154.0606 C4H6N6O- 1 154.0609 -1.71
+  155.0817 C5H9N5O- 1 155.0813 2.85
+  156.0762 C4H8N6O- 1 156.0765 -1.71
+  160.0756 C8H8N4- 1 160.0754 1.16
+  162.0907 C8H10N4- 1 162.0911 -2.63
+  166.085 C6H14O5- 2 166.0847 1.67
+  166.0972 C6H10N6- 1 166.0972 -0.24
+  169.0474 C4H5N6O2- 2 169.0479 -3.35
+  170.0561 C4H6N6O2- 1 170.0558 1.82
+  170.0921 C5H10N6O- 1 170.0922 -0.11
+  174.0907 C9H10N4- 1 174.0911 -2.52
+  177.102 C8H11N5- 1 177.102 0.05
+  182.0921 C6H10N6O- 1 182.0922 -0.43
+  183.0635 C5H7N6O2- 1 183.0636 -0.52
+  183.1124 C7H13N5O- 1 183.1126 -0.75
+  184.1075 C6H12N6O- 1 184.1078 -1.79
+  187.086 C9H9N5- 1 187.0863 -1.68
+  189.1018 C9H11N5- 1 189.102 -1.23
+  191.1173 C9H13N5- 1 191.1176 -1.98
+  192.1134 C8H12N6- 2 192.1129 2.75
+  199.0861 C10H9N5- 1 199.0863 -1.41
+  200.0703 C10H8N4O- 1 200.0704 -0.22
+  201.0983 C6H17O7- 2 201.098 1.61
+  202.1223 C11H14N4- 1 202.1224 -0.39
+  203.0804 C9H9N5O- 3 203.0813 -4.22
+  210.1235 C8H14N6O- 1 210.1235 0.34
+  212.1061 C12H12N4- 2 212.1067 -3.03
+  215.1174 C11H13N5- 2 215.1176 -1.33
+  217.0968 C10H11N5O- 1 217.0969 -0.57
+  223.1071 C9H13N5O2- 3 223.1075 -1.52
+  227.114 C8H19O7- 3 227.1136 1.52
+  229.096 C11H11N5O- 3 229.0969 -3.82
+  234.1233 C10H14N6O- 1 234.1235 -0.58
+  235.1186 C9H13N7O- 2 235.1187 -0.34
+  239.0784 C9H11N4O4- 3 239.0786 -0.63
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+  243.1126 C12H13N5O- 1 243.1126 0.3
+  248.1393 C11H16N6O- 2 248.1391 0.86
+  260.1388 C12H16N6O- 2 260.1391 -1.32
+  270.1236 C13H14N6O- 3 270.1235 0.59
+  305.161 H27N5O13- 4 305.1611 -0.33
+  362.1831 C17H24N5O4- 4 362.1834 -0.79
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+  305.161 14196942 656
+  362.1831 3184039.8 147
+//
diff --git a/Eawag/MSBNK-MLU-ED234357.txt b/Eawag/MSBNK-MLU-ED234357.txt
new file mode 100644
index 0000000000..4b3fe3fc72
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED234357.txt
@@ -0,0 +1,221 @@
+ACCESSION: MSBNK-MLU-ED234357
+RECORD_TITLE: Insulapeptolide G; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], C. Mehner [dtc], G. M. Koenig  [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2343
+CH$NAME: Insulapeptolide G
+CH$NAME: (S)-N-((S)-1-(((1S,2S,5S,8S,11R,12S,15S,18S,21R)-5-benzyl-21-hydroxy-2-((R)-1-hydroxyethyl)-8-isopropyl-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-15-phenethyl-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-hydroxy-1-oxopropan-2-yl)-1-butyrylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C50H70N8O13
+CH$EXACT_MASS: 990.5062343
+CH$SMILES: CCCC(N1[C@H](C(N[C@H](C(N[C@@H]([C@H](OC([C@H](C(C)C)N2)=O)C)C(N[C@@H](CCC3=CC=CC=C3)C(N[C@@H]4C([N@@]([C@H](C(N(C)[C@H](C2=O)CC5=CC=CC=C5)=O)[C@@H](C)O)[C@H](O)CC4)=O)=O)=O)=O)CO)=O)CCC1)=O
+CH$IUPAC: InChI=1S/C50H70N8O13/c1-7-15-38(61)57-25-14-20-36(57)45(65)53-35(27-59)44(64)55-41-30(5)71-50(70)40(28(2)3)54-46(66)37(26-32-18-12-9-13-19-32)56(6)49(69)42(29(4)60)58-39(62)24-23-34(48(58)68)52-43(63)33(51-47(41)67)22-21-31-16-10-8-11-17-31/h8-13,16-19,28-30,33-37,39-42,59-60,62H,7,14-15,20-27H2,1-6H3,(H,51,67)(H,52,63)(H,53,65)(H,54,66)(H,55,64)/t29-,30-,33+,34+,35+,36+,37+,39-,40+,41+,42+/m1/s1
+CH$LINK: INCHIKEY FWWSPBIYNIQGJB-MZAIBGPZSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 68-1025
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.033 min
+MS$FOCUSED_ION: BASE_PEAK 989.4986
+MS$FOCUSED_ION: PRECURSOR_M/Z 989.499
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 989152860.12
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03y3-2910000000-d009cdc81fe55a7b6a78
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
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+  71.0238 HN5- 1 71.0237 0.43
+  72.0077 N4O- 1 72.0078 -0.86
+  73.0394 H3N5- 1 73.0394 0.04
+  74.0233 H2N4O- 1 74.0234 -1.51
+  82.0285 C2H2N4- 1 82.0285 0.01
+  83.0238 CHN5- 1 83.0237 0.97
+  84.0077 CN4O- 1 84.0078 -0.15
+  85.0394 CH3N5- 1 85.0394 0.23
+  86.0234 CH2N4O- 1 86.0234 -0.15
+  86.0598 C2H6N4- 1 86.0598 -0.17
+  87.055 CH5N5- 1 87.055 -0.05
+  94.0283 C3H2N4- 1 94.0285 -1.91
+  95.0237 C2HN5- 1 95.0237 -0.2
+  96.0077 C2N4O- 1 96.0078 -0.48
+  96.0441 C3H4N4- 1 96.0441 -0.5
+  97.0393 C2H3N5- 1 97.0394 -0.96
+  99.0187 CHN5O- 1 99.0187 0.41
+  99.0549 C2H5N5- 1 99.055 -1.38
+  108.0312 C3H2N5- 1 108.0316 -3.81
+  108.044 C4H4N4- 1 108.0441 -1.37
+  109.0395 C3H3N5- 1 109.0394 0.8
+  110.0231 C3H2N4O- 1 110.0234 -2.63
+  111.0188 C2HN5O- 1 111.0187 0.96
+  111.0549 C3H5N5- 1 111.055 -1.25
+  112.0264 C2H2N5O- 1 112.0265 -0.43
+  112.0389 C3H4N4O- 1 112.0391 -1.61
+  112.0504 C2H4N6- 1 112.0503 0.75
+  113.0343 C2H3N5O- 1 113.0343 0.26
+  113.0707 C3H7N5- 1 113.0707 0.18
+  114.0546 C3H6N4O- 1 114.0547 -0.9
+  115.0498 C2H5N5O- 1 115.05 -1.56
+  116.0704 C3H8N4O- 1 116.0704 0.1
+  120.044 C5H4N4- 1 120.0441 -1.52
+  121.0395 C4H3N5- 1 121.0394 0.55
+  122.0468 C4H4N5- 1 122.0472 -3.07
+  123.055 C4H5N5- 1 123.055 -0.55
+  124.0261 C3H2N5O- 1 124.0265 -2.98
+  124.0389 C4H4N4O- 1 124.0391 -1.22
+  125.0344 C3H3N5O- 1 125.0343 0.54
+  125.0707 C4H7N5- 1 125.0707 -0.08
+  127.0501 C3H5N5O- 1 127.05 0.78
+  127.0865 C4H9N5- 1 127.0863 1.43
+  129.1015 C4H11N5- 1 129.102 -3.44
+  130.0605 C2H6N6O- 1 130.0609 -2.42
+  131.0491 C7H5N3- 1 131.0489 1.85
+  136.039 C5H4N4O- 1 136.0391 -0.33
+  136.0495 C3H8N2O4- 1 136.049 4.09
+  137.0344 C4H3N5O- 1 137.0343 0.31
+  137.0704 C5H7N5- 1 137.0707 -1.87
+  138.0422 C4H4N5O- 1 138.0421 0.71
+  138.0659 C4H6N6- 1 138.0659 -0.22
+  139.0499 C4H5N5O- 1 139.05 -0.12
+  139.0863 C5H9N5- 1 139.0863 -0.51
+  141.0655 C4H7N5O- 1 141.0656 -0.42
+  141.1023 C5H11N5- 1 141.102 2.33
+  144.0766 C3H8N6O- 1 144.0765 0.41
+  153.0658 C5H7N5O- 1 153.0656 1.02
+  154.0608 C4H6N6O- 1 154.0609 -0.42
+  155.0814 C5H9N5O- 1 155.0813 1.08
+  156.0766 C4H8N6O- 1 156.0765 0.34
+  158.0601 C8H6N4- 1 158.0598 1.86
+  160.0757 C8H8N4- 1 160.0754 1.73
+  166.0604 C5H6N6O- 1 166.0609 -2.67
+  166.0972 C6H10N6- 1 166.0972 -0.43
+  170.0921 C5H10N6O- 1 170.0922 -0.38
+  177.102 C8H11N5- 1 177.102 -0.04
+  178.0857 C8H10N4O- 1 178.086 -1.77
+  182.0558 C5H6N6O2- 1 182.0558 0.29
+  182.0921 C6H10N6O- 1 182.0922 -0.18
+  183.0635 C5H7N6O2- 1 183.0636 -0.69
+  184.0718 C5H8N6O2- 1 184.0714 1.99
+  186.0541 C9H6N4O- 3 186.0547 -3.24
+  187.0861 C9H9N5- 1 187.0863 -1.52
+  200.0697 C10H8N4O- 3 200.0704 -3.34
+  202.1222 C11H14N4- 1 202.1224 -0.84
+  203.0811 C9H9N5O- 1 203.0813 -0.99
+  209.1029 C7H11N7O- 2 209.1031 -0.82
+  210.1233 C8H14N6O- 1 210.1235 -0.53
+  216.1123 C10H12N6- 2 216.1129 -2.58
+  217.0969 C10H11N5O- 1 217.0969 -0.08
+  217.1322 C10H19NO4- 2 217.132 1.19
+  223.1069 C9H13N5O2- 3 223.1075 -2.75
+  227.1142 C8H19O7- 3 227.1136 2.67
+  229.0962 C11H11N5O- 3 229.0969 -2.95
+  235.1185 C9H13N7O- 3 235.1187 -0.99
+  241.1288 C8H15N7O2- 3 241.1293 -2.11
+  243.1125 C12H13N5O- 1 243.1126 -0.26
+  248.139 C11H16N6O- 2 248.1391 -0.56
+  277.1543 C13H19N5O2- 4 277.1544 -0.31
+PK$NUM_PEAK: 90
+PK$PEAK: m/z int. rel.int.
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+  243.1125 829741.9 32
+  248.139 5182014 202
+  277.1543 694373.7 27
+//
diff --git a/Eawag/MSBNK-MLU-ED234401.txt b/Eawag/MSBNK-MLU-ED234401.txt
new file mode 100644
index 0000000000..1a7d43e1b4
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED234401.txt
@@ -0,0 +1,81 @@
+ACCESSION: MSBNK-MLU-ED234401
+RECORD_TITLE: Insulapeptolide H; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], C. Mehner [dtc], G. M. Koenig  [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2344
+CH$NAME: Insulapeptolide H
+CH$NAME: (S)-N-((S)-1-(((1S,2S,5S,8S,11R,12S,15S,18S,21R)-5-benzyl-8-((R)-sec-butyl)-21-hydroxy-2-((R)-1-hydroxyethyl)-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-15-phenethyl-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-hydroxy-1-oxopropan-2-yl)-1-butyrylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C51H72N8O13
+CH$EXACT_MASS: 1004.521884
+CH$SMILES: CCCC(N1[C@H](C(N[C@H](C(N[C@@H]([C@H](OC([C@H]([C@H](C)CC)N2)=O)C)C(N[C@@H](CCC3=CC=CC=C3)C(N[C@@H]4C([N@@]([C@H](C(N(C)[C@H](C2=O)CC5=CC=CC=C5)=O)[C@@H](C)O)[C@H](O)CC4)=O)=O)=O)=O)CO)=O)CCC1)=O
+CH$IUPAC: InChI=1S/C51H72N8O13/c1-7-16-39(62)58-26-15-21-37(58)46(66)54-36(28-60)45(65)56-42-31(5)72-51(71)41(29(3)8-2)55-47(67)38(27-33-19-13-10-14-20-33)57(6)50(70)43(30(4)61)59-40(63)25-24-35(49(59)69)53-44(64)34(52-48(42)68)23-22-32-17-11-9-12-18-32/h9-14,17-20,29-31,34-38,40-43,60-61,63H,7-8,15-16,21-28H2,1-6H3,(H,52,68)(H,53,64)(H,54,66)(H,55,67)(H,56,65)/t29-,30-,31-,34+,35+,36+,37+,38+,40-,41+,42+,43+/m1/s1
+CH$LINK: INCHIKEY KADJXRUDRPKAEU-NBHXZYMHSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 69-1045
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.249 min
+MS$FOCUSED_ION: BASE_PEAK 987.5191
+MS$FOCUSED_ION: PRECURSOR_M/Z 1005.5292
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 343707317.75
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-000j-0002500129-9104d9125f502161824b
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  140.1065 C8H14NO+ 1 140.107 -3.84
+  168.1017 C9H14NO2+ 1 168.1019 -1.24
+  338.1719 C2H26N8O11+ 5 338.1716 0.88
+  356.1825 C17H22N7O2+ 5 356.1829 -1.4
+  358.1771 C20H20N7+ 6 358.1775 -1
+  471.2609 C25H35N4O5+ 7 471.2602 1.42
+  499.2552 C26H35N4O6+ 6 499.2551 0.23
+  517.2656 C26H37N4O7+ 6 517.2657 -0.17
+  519.26 C29H35N4O5+ 7 519.2602 -0.34
+  537.2708 C29H37N4O6+ 7 537.2708 0.16
+  650.3548 C35H48N5O7+ 8 650.3548 -0.08
+  715.381 C39H51N6O7+ 8 715.3814 -0.49
+  733.3921 C39H53N6O8+ 9 733.3919 0.27
+  838.4138 C45H56N7O9+ 7 838.4134 0.45
+  856.4239 C45H58N7O10+ 6 856.424 -0.12
+  874.4345 C45H60N7O11+ 5 874.4345 -0.04
+  951.4984 C51H67N8O10+ 2 951.4975 0.97
+  959.5228 C50H71N8O11+ 1 959.5237 -0.91
+  969.5083 C51H69N8O11+ 1 969.508 0.26
+  987.519 C51H71N8O12+ 1 987.5186 0.39
+PK$NUM_PEAK: 20
+PK$PEAK: m/z int. rel.int.
+  140.1065 1546149.8 34
+  168.1017 3997339.2 89
+  338.1719 10754944 239
+  356.1825 607851.6 13
+  358.1771 6548728 146
+  471.2609 1776605.6 39
+  499.2552 37028440 826
+  517.2656 2208245.2 49
+  519.26 2260888.8 50
+  537.2708 1210768.6 27
+  650.3548 6352511.5 141
+  715.381 2144834.2 47
+  733.3921 11940360 266
+  838.4138 3483589 77
+  856.4239 4158239.2 92
+  874.4345 12808325 285
+  951.4984 1564385.6 34
+  959.5228 1745588.4 38
+  969.5083 20800568 464
+  987.519 44773204 999
+//
diff --git a/Eawag/MSBNK-MLU-ED234402.txt b/Eawag/MSBNK-MLU-ED234402.txt
new file mode 100644
index 0000000000..50e8a5df09
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED234402.txt
@@ -0,0 +1,107 @@
+ACCESSION: MSBNK-MLU-ED234402
+RECORD_TITLE: Insulapeptolide H; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], C. Mehner [dtc], G. M. Koenig  [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2344
+CH$NAME: Insulapeptolide H
+CH$NAME: (S)-N-((S)-1-(((1S,2S,5S,8S,11R,12S,15S,18S,21R)-5-benzyl-8-((R)-sec-butyl)-21-hydroxy-2-((R)-1-hydroxyethyl)-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-15-phenethyl-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-hydroxy-1-oxopropan-2-yl)-1-butyrylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C51H72N8O13
+CH$EXACT_MASS: 1004.521884
+CH$SMILES: CCCC(N1[C@H](C(N[C@H](C(N[C@@H]([C@H](OC([C@H]([C@H](C)CC)N2)=O)C)C(N[C@@H](CCC3=CC=CC=C3)C(N[C@@H]4C([N@@]([C@H](C(N(C)[C@H](C2=O)CC5=CC=CC=C5)=O)[C@@H](C)O)[C@H](O)CC4)=O)=O)=O)=O)CO)=O)CCC1)=O
+CH$IUPAC: InChI=1S/C51H72N8O13/c1-7-16-39(62)58-26-15-21-37(58)46(66)54-36(28-60)45(65)56-42-31(5)72-51(71)41(29(3)8-2)55-47(67)38(27-33-19-13-10-14-20-33)57(6)50(70)43(30(4)61)59-40(63)25-24-35(49(59)69)53-44(64)34(52-48(42)68)23-22-32-17-11-9-12-18-32/h9-14,17-20,29-31,34-38,40-43,60-61,63H,7-8,15-16,21-28H2,1-6H3,(H,52,68)(H,53,64)(H,54,66)(H,55,67)(H,56,65)/t29-,30-,31-,34+,35+,36+,37+,38+,40-,41+,42+,43+/m1/s1
+CH$LINK: INCHIKEY KADJXRUDRPKAEU-NBHXZYMHSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 69-1045
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.249 min
+MS$FOCUSED_ION: BASE_PEAK 987.5191
+MS$FOCUSED_ION: PRECURSOR_M/Z 1005.5292
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 343707317.75
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-06dr-0209310121-6f44c3b305d9d815619e
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  134.0961 C9H12N+ 1 134.0964 -2.43
+  140.1068 C8H14NO+ 1 140.107 -1.66
+  168.1018 C9H14NO2+ 1 168.1019 -0.87
+  197.0917 C9H13N2O3+ 1 197.0921 -1.67
+  255.1332 C10H17N5O3+ 2 255.1326 2.24
+  293.1861 C16H25N2O3+ 3 293.186 0.58
+  314.1497 C17H20N3O3+ 5 314.1499 -0.64
+  320.1611 C2H24N8O10+ 5 320.161 0.22
+  338.1719 C2H26N8O11+ 5 338.1716 0.88
+  340.1661 C5H24N8O9+ 5 340.1661 0.12
+  356.1825 C17H22N7O2+ 6 356.1829 -1.23
+  358.1771 C20H20N7+ 6 358.1775 -0.91
+  453.2498 C25H33N4O4+ 6 453.2496 0.45
+  471.2607 C25H35N4O5+ 7 471.2602 0.97
+  474.2391 C14H34N8O10+ 7 474.2392 -0.22
+  481.2446 C26H33N4O5+ 6 481.2445 0.09
+  499.2552 C26H35N4O6+ 6 499.2551 0.11
+  517.2662 C26H37N4O7+ 7 517.2657 1.01
+  519.2601 C29H35N4O5+ 6 519.2602 -0.1
+  537.2705 C29H37N4O6+ 7 537.2708 -0.52
+  620.3083 C33H42N5O7+ 8 620.3079 0.61
+  650.3551 C35H48N5O7+ 8 650.3548 0.39
+  715.3816 C39H51N6O7+ 8 715.3814 0.37
+  733.3923 C39H53N6O8+ 9 733.3919 0.44
+  791.4359 C45H57N7O6+ 8 791.4365 -0.8
+  838.4133 C45H56N7O9+ 7 838.4134 -0.13
+  856.4245 C45H58N7O10+ 6 856.424 0.59
+  874.4339 C45H60N7O11+ 4 874.4345 -0.74
+  941.5131 C47H71N7O13+ 2 941.5104 2.82
+  951.4971 C51H67N8O10+ 2 951.4975 -0.38
+  959.5248 C50H71N8O11+ 1 959.5237 1.19
+  969.5081 C51H69N8O11+ 1 969.508 0.08
+  987.5189 C51H71N8O12+ 1 987.5186 0.27
+PK$NUM_PEAK: 33
+PK$PEAK: m/z int. rel.int.
+  134.0961 2130744 65
+  140.1068 7911944 245
+  168.1018 14322688 443
+  197.0917 640016.3 19
+  255.1332 910093.6 28
+  293.1861 704958.4 21
+  314.1497 728538.4 22
+  320.1611 19798592 613
+  338.1719 32253356 999
+  340.1661 3722161.2 115
+  356.1825 2255016.2 69
+  358.1771 19573600 606
+  453.2498 1438947.1 44
+  471.2607 1835638.4 56
+  474.2391 1854742.9 57
+  481.2446 4495629 139
+  499.2552 18271550 565
+  517.2662 1615115.1 50
+  519.2601 7030217.5 217
+  537.2705 4403562.5 136
+  620.3083 1439315.9 44
+  650.3551 2748158.8 85
+  715.3816 7578092 234
+  733.3923 6488927 200
+  791.4359 471384.6 14
+  838.4133 6351649 196
+  856.4245 6199006 192
+  874.4339 6636457 205
+  941.5131 460442.7 14
+  951.4971 1534178.8 47
+  959.5248 1831995.8 56
+  969.5081 8611578 266
+  987.5189 4455218.5 137
+//
diff --git a/Eawag/MSBNK-MLU-ED234403.txt b/Eawag/MSBNK-MLU-ED234403.txt
new file mode 100644
index 0000000000..a37a0708a3
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED234403.txt
@@ -0,0 +1,117 @@
+ACCESSION: MSBNK-MLU-ED234403
+RECORD_TITLE: Insulapeptolide H; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], C. Mehner [dtc], G. M. Koenig  [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2344
+CH$NAME: Insulapeptolide H
+CH$NAME: (S)-N-((S)-1-(((1S,2S,5S,8S,11R,12S,15S,18S,21R)-5-benzyl-8-((R)-sec-butyl)-21-hydroxy-2-((R)-1-hydroxyethyl)-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-15-phenethyl-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-hydroxy-1-oxopropan-2-yl)-1-butyrylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C51H72N8O13
+CH$EXACT_MASS: 1004.521884
+CH$SMILES: CCCC(N1[C@H](C(N[C@H](C(N[C@@H]([C@H](OC([C@H]([C@H](C)CC)N2)=O)C)C(N[C@@H](CCC3=CC=CC=C3)C(N[C@@H]4C([N@@]([C@H](C(N(C)[C@H](C2=O)CC5=CC=CC=C5)=O)[C@@H](C)O)[C@H](O)CC4)=O)=O)=O)=O)CO)=O)CCC1)=O
+CH$IUPAC: InChI=1S/C51H72N8O13/c1-7-16-39(62)58-26-15-21-37(58)46(66)54-36(28-60)45(65)56-42-31(5)72-51(71)41(29(3)8-2)55-47(67)38(27-33-19-13-10-14-20-33)57(6)50(70)43(30(4)61)59-40(63)25-24-35(49(59)69)53-44(64)34(52-48(42)68)23-22-32-17-11-9-12-18-32/h9-14,17-20,29-31,34-38,40-43,60-61,63H,7-8,15-16,21-28H2,1-6H3,(H,52,68)(H,53,64)(H,54,66)(H,55,67)(H,56,65)/t29-,30-,31-,34+,35+,36+,37+,38+,40-,41+,42+,43+/m1/s1
+CH$LINK: INCHIKEY KADJXRUDRPKAEU-NBHXZYMHSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 69-1045
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.249 min
+MS$FOCUSED_ION: BASE_PEAK 987.5191
+MS$FOCUSED_ION: PRECURSOR_M/Z 1005.5292
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 343707317.75
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00xu-0509100000-2017183ecf677bdce831
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  70.0649 C4H8N+ 1 70.0651 -2.62
+  134.0963 C9H12N+ 1 134.0964 -0.72
+  140.1068 C8H14NO+ 1 140.107 -1.01
+  168.1018 C9H14NO2+ 1 168.1019 -0.78
+  169.0968 C8H13N2O2+ 1 169.0972 -1.91
+  179.0811 C9H11N2O2+ 1 179.0815 -2.09
+  180.1019 C10H14NO2+ 1 180.1019 -0.06
+  197.0917 C9H13N2O3+ 1 197.0921 -1.74
+  235.1428 C11H17N5O+ 1 235.1428 0.25
+  237.1227 C12H17N2O3+ 2 237.1234 -2.89
+  245.1281 C14H17N2O2+ 4 245.1285 -1.34
+  255.1336 C10H17N5O3+ 2 255.1326 3.98
+  293.186 C16H25N2O3+ 4 293.186 0.27
+  313.1546 C18H21N2O3+ 4 313.1547 -0.27
+  314.1501 C17H20N3O3+ 5 314.1499 0.52
+  320.161 C2H24N8O10+ 5 320.161 0.03
+  330.1821 C4H26N8O9+ 4 330.1817 1.25
+  338.1718 C2H26N8O11+ 5 338.1716 0.7
+  340.1664 C5H24N8O9+ 5 340.1661 0.84
+  356.1825 C17H22N7O2+ 6 356.1829 -1.23
+  358.1771 C20H20N7+ 6 358.1775 -1
+  376.1872 C5H28N8O11+ 6 376.1872 -0.12
+  418.2487 C26H32N3O2+ 8 418.2489 -0.38
+  453.2496 C25H33N4O4+ 7 453.2496 -0.09
+  471.2608 C25H35N4O5+ 7 471.2602 1.22
+  473.2543 C13H39N5O13+ 8 473.2539 0.88
+  474.239 C14H34N8O10+ 6 474.2392 -0.48
+  481.2447 C26H33N4O5+ 6 481.2445 0.28
+  499.2552 C26H35N4O6+ 6 499.2551 0.23
+  519.26 C29H35N4O5+ 7 519.2602 -0.34
+  537.2703 C29H37N4O6+ 7 537.2708 -0.86
+  620.3085 C33H42N5O7+ 7 620.3079 1
+  695.3409 C37H49N3O10+ 8 695.3412 -0.55
+  715.3814 C39H51N6O7+ 8 715.3814 0.03
+  733.3916 C39H53N6O8+ 9 733.3919 -0.4
+  856.4229 C45H58N7O10+ 5 856.424 -1.19
+  941.5084 C47H71N7O13+ 1 941.5104 -2.17
+  969.5081 C51H69N8O11+ 1 969.508 0.08
+PK$NUM_PEAK: 38
+PK$PEAK: m/z int. rel.int.
+  70.0649 9391686 248
+  134.0963 10391222 275
+  140.1068 18418390 487
+  168.1018 27433160 726
+  169.0968 577874.5 15
+  179.0811 1335956 35
+  180.1019 702933.3 18
+  197.0917 3219082.2 85
+  235.1428 414347.9 10
+  237.1227 661637.2 17
+  245.1281 717273 18
+  255.1336 1407136.1 37
+  293.186 1515248.1 40
+  313.1546 411622.7 10
+  314.1501 1683897 44
+  320.161 37744096 999
+  330.1821 2262608.2 59
+  338.1718 22076654 584
+  340.1664 7453797.5 197
+  356.1825 2037385.2 53
+  358.1771 21696234 574
+  376.1872 1551588.8 41
+  418.2487 594616.4 15
+  453.2496 4654298.5 123
+  471.2608 856326.5 22
+  473.2543 567281.4 15
+  474.239 2833574.5 74
+  481.2447 3600241.2 95
+  499.2552 4646948.5 122
+  519.26 5308377 140
+  537.2703 2034658.8 53
+  620.3085 1098187 29
+  695.3409 671927.7 17
+  715.3814 5913814 156
+  733.3916 962613.4 25
+  856.4229 1640738.4 43
+  941.5084 381551.7 10
+  969.5081 1195939.6 31
+//
diff --git a/Eawag/MSBNK-MLU-ED234404.txt b/Eawag/MSBNK-MLU-ED234404.txt
new file mode 100644
index 0000000000..8dc9363e0f
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED234404.txt
@@ -0,0 +1,101 @@
+ACCESSION: MSBNK-MLU-ED234404
+RECORD_TITLE: Insulapeptolide H; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], C. Mehner [dtc], G. M. Koenig  [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2344
+CH$NAME: Insulapeptolide H
+CH$NAME: (S)-N-((S)-1-(((1S,2S,5S,8S,11R,12S,15S,18S,21R)-5-benzyl-8-((R)-sec-butyl)-21-hydroxy-2-((R)-1-hydroxyethyl)-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-15-phenethyl-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-hydroxy-1-oxopropan-2-yl)-1-butyrylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C51H72N8O13
+CH$EXACT_MASS: 1004.521884
+CH$SMILES: CCCC(N1[C@H](C(N[C@H](C(N[C@@H]([C@H](OC([C@H]([C@H](C)CC)N2)=O)C)C(N[C@@H](CCC3=CC=CC=C3)C(N[C@@H]4C([N@@]([C@H](C(N(C)[C@H](C2=O)CC5=CC=CC=C5)=O)[C@@H](C)O)[C@H](O)CC4)=O)=O)=O)=O)CO)=O)CCC1)=O
+CH$IUPAC: InChI=1S/C51H72N8O13/c1-7-16-39(62)58-26-15-21-37(58)46(66)54-36(28-60)45(65)56-42-31(5)72-51(71)41(29(3)8-2)55-47(67)38(27-33-19-13-10-14-20-33)57(6)50(70)43(30(4)61)59-40(63)25-24-35(49(59)69)53-44(64)34(52-48(42)68)23-22-32-17-11-9-12-18-32/h9-14,17-20,29-31,34-38,40-43,60-61,63H,7-8,15-16,21-28H2,1-6H3,(H,52,68)(H,53,64)(H,54,66)(H,55,67)(H,56,65)/t29-,30-,31-,34+,35+,36+,37+,38+,40-,41+,42+,43+/m1/s1
+CH$LINK: INCHIKEY KADJXRUDRPKAEU-NBHXZYMHSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 69-1045
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.249 min
+MS$FOCUSED_ION: BASE_PEAK 987.5191
+MS$FOCUSED_ION: PRECURSOR_M/Z 1005.5292
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 343707317.75
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00xu-1905000000-b9977e9befd0db559170
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  70.0651 C4H8N+ 1 70.0651 -0.44
+  71.0491 C4H7O+ 1 71.0491 -0.68
+  134.0964 C9H12N+ 1 134.0964 -0.5
+  136.0392 C7H6NO2+ 1 136.0393 -0.53
+  140.1069 C8H14NO+ 1 140.107 -0.68
+  153.066 C7H9N2O2+ 1 153.0659 0.64
+  168.1018 C9H14NO2+ 1 168.1019 -0.51
+  169.097 C8H13N2O2+ 1 169.0972 -0.83
+  179.0812 C9H11N2O2+ 1 179.0815 -1.66
+  180.1019 C10H14NO2+ 1 180.1019 -0.06
+  197.0919 C9H13N2O3+ 1 197.0921 -1.05
+  235.1433 C11H17N5O+ 2 235.1428 2.14
+  237.1227 C12H17N2O3+ 2 237.1234 -2.83
+  245.1279 C14H17N2O2+ 4 245.1285 -2.4
+  255.1334 C10H17N5O3+ 2 255.1326 3.32
+  293.1861 C16H25N2O3+ 4 293.186 0.38
+  294.1456 H22N8O10+ 5 294.1453 0.77
+  295.145 C5H27O13+ 4 295.1446 1.4
+  310.1764 CH26N8O10+ 4 310.1766 -0.7
+  312.1721 C20H24O3+ 5 312.172 0.39
+  313.1547 C18H21N2O3+ 4 313.1547 0.12
+  320.1611 C2H24N8O10+ 5 320.161 0.22
+  330.182 C4H26N8O9+ 5 330.1817 0.89
+  338.1718 C2H26N8O11+ 5 338.1716 0.79
+  340.1663 C5H24N8O9+ 5 340.1661 0.57
+  358.1771 C20H20N7+ 6 358.1775 -0.91
+  376.1874 C5H28N8O11+ 5 376.1872 0.53
+  453.2497 C25H33N4O4+ 7 453.2496 0.05
+  473.2539 C13H39N5O13+ 7 473.2539 0.1
+  715.3814 C39H51N6O7+ 8 715.3814 0.03
+PK$NUM_PEAK: 30
+PK$PEAK: m/z int. rel.int.
+  70.0651 17509930 429
+  71.0491 517974.3 12
+  134.0964 22127758 542
+  136.0392 591458.8 14
+  140.1069 28214748 692
+  153.066 785152.4 19
+  168.1018 40727224 999
+  169.097 2207177 54
+  179.0812 3241259.8 79
+  180.1019 1334660.5 32
+  197.0919 8115861.5 199
+  235.1433 1051756.8 25
+  237.1227 1824368.8 44
+  245.1279 693625.4 17
+  255.1334 1226400.9 30
+  293.1861 1783258.8 43
+  294.1456 1008681.2 24
+  295.145 672955.1 16
+  310.1764 1017424.1 24
+  312.1721 771091.2 18
+  313.1547 1142089 28
+  320.1611 29220326 716
+  330.182 3593326.2 88
+  338.1718 8995369 220
+  340.1663 6451879 158
+  358.1771 13337293 327
+  376.1874 1076722.5 26
+  453.2497 4677308.5 114
+  473.2539 1081152.5 26
+  715.3814 1906112.4 46
+//
diff --git a/Eawag/MSBNK-MLU-ED234405.txt b/Eawag/MSBNK-MLU-ED234405.txt
new file mode 100644
index 0000000000..ff68c88009
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED234405.txt
@@ -0,0 +1,113 @@
+ACCESSION: MSBNK-MLU-ED234405
+RECORD_TITLE: Insulapeptolide H; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], C. Mehner [dtc], G. M. Koenig  [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2344
+CH$NAME: Insulapeptolide H
+CH$NAME: (S)-N-((S)-1-(((1S,2S,5S,8S,11R,12S,15S,18S,21R)-5-benzyl-8-((R)-sec-butyl)-21-hydroxy-2-((R)-1-hydroxyethyl)-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-15-phenethyl-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-hydroxy-1-oxopropan-2-yl)-1-butyrylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C51H72N8O13
+CH$EXACT_MASS: 1004.521884
+CH$SMILES: CCCC(N1[C@H](C(N[C@H](C(N[C@@H]([C@H](OC([C@H]([C@H](C)CC)N2)=O)C)C(N[C@@H](CCC3=CC=CC=C3)C(N[C@@H]4C([N@@]([C@H](C(N(C)[C@H](C2=O)CC5=CC=CC=C5)=O)[C@@H](C)O)[C@H](O)CC4)=O)=O)=O)=O)CO)=O)CCC1)=O
+CH$IUPAC: InChI=1S/C51H72N8O13/c1-7-16-39(62)58-26-15-21-37(58)46(66)54-36(28-60)45(65)56-42-31(5)72-51(71)41(29(3)8-2)55-47(67)38(27-33-19-13-10-14-20-33)57(6)50(70)43(30(4)61)59-40(63)25-24-35(49(59)69)53-44(64)34(52-48(42)68)23-22-32-17-11-9-12-18-32/h9-14,17-20,29-31,34-38,40-43,60-61,63H,7-8,15-16,21-28H2,1-6H3,(H,52,68)(H,53,64)(H,54,66)(H,55,67)(H,56,65)/t29-,30-,31-,34+,35+,36+,37+,38+,40-,41+,42+,43+/m1/s1
+CH$LINK: INCHIKEY KADJXRUDRPKAEU-NBHXZYMHSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 69-1045
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.249 min
+MS$FOCUSED_ION: BASE_PEAK 987.5191
+MS$FOCUSED_ION: PRECURSOR_M/Z 1005.5292
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 343707317.75
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00yl-2900000000-d4a19947eacc2ba1ca46
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  70.0652 C4H8N+ 1 70.0651 0.87
+  74.0601 C3H8NO+ 1 74.06 0.54
+  80.0494 C5H6N+ 1 80.0495 -1.36
+  84.0444 C4H6NO+ 1 84.0444 -0.25
+  91.0541 C7H7+ 1 91.0542 -1.09
+  117.0699 C9H9+ 1 117.0699 0.04
+  119.0726 C8H9N+ 1 119.073 -2.62
+  124.0757 C7H10NO+ 1 124.0757 0.34
+  126.0912 C7H12NO+ 1 126.0913 -1.38
+  134.0964 C9H12N+ 1 134.0964 -0.15
+  136.0391 C7H6NO2+ 1 136.0393 -1.54
+  140.1069 C8H14NO+ 1 140.107 -0.68
+  141.1021 C7H13N2O+ 1 141.1022 -0.88
+  151.0865 C8H11N2O+ 1 151.0866 -0.35
+  153.0658 C7H9N2O2+ 1 153.0659 -0.26
+  162.0548 C9H8NO2+ 1 162.055 -0.97
+  168.1018 C9H14NO2+ 1 168.1019 -0.42
+  169.0971 C8H13N2O2+ 1 169.0972 -0.56
+  179.0814 C9H11N2O2+ 1 179.0815 -0.81
+  180.1018 C10H14NO2+ 1 180.1019 -0.82
+  197.0919 C9H13N2O3+ 1 197.0921 -0.89
+  200.1067 C13H14NO+ 1 200.107 -1.37
+  209.1285 C11H17N2O2+ 1 209.1285 0.11
+  235.1434 C11H17N5O+ 2 235.1428 2.78
+  237.123 C12H17N2O3+ 2 237.1234 -1.54
+  245.128 C14H17N2O2+ 4 245.1285 -1.77
+  255.1322 C10H17N5O3+ 3 255.1326 -1.53
+  295.1448 C5H27O13+ 4 295.1446 0.47
+  310.1769 CH26N8O10+ 5 310.1766 0.78
+  312.1716 C20H24O3+ 5 312.172 -1.17
+  313.1548 C18H21N2O3+ 4 313.1547 0.41
+  314.1497 C17H20N3O3+ 5 314.1499 -0.55
+  320.1612 C2H24N8O10+ 5 320.161 0.51
+  330.1813 C18H24N3O3+ 5 330.1812 0.39
+  340.1659 C5H24N8O9+ 6 340.1661 -0.6
+  453.2493 C25H33N4O4+ 7 453.2496 -0.83
+PK$NUM_PEAK: 36
+PK$PEAK: m/z int. rel.int.
+  70.0652 49151988 999
+  74.0601 1533770 31
+  80.0494 663773.2 13
+  84.0444 551209.1 11
+  91.0541 1269640.6 25
+  117.0699 1411971.1 28
+  119.0726 509390.2 10
+  124.0757 1272120.2 25
+  126.0912 1257408.9 25
+  134.0964 40550628 824
+  136.0391 1545899.6 31
+  140.1069 47831728 972
+  141.1021 2654613.2 53
+  151.0865 3853145.8 78
+  153.0658 2217865 45
+  162.0548 694132.1 14
+  168.1018 31090682 631
+  169.0971 11355201 230
+  179.0814 8445007 171
+  180.1018 1103626.2 22
+  197.0919 10117649 205
+  200.1067 1537071.1 31
+  209.1285 1285422.1 26
+  235.1434 1751364.4 35
+  237.123 4541976 92
+  245.128 713932.2 14
+  255.1322 801614.5 16
+  295.1448 1452773 29
+  310.1769 1177152.4 23
+  312.1716 822820.2 16
+  313.1548 1078291.6 21
+  314.1497 1328707.9 27
+  320.1612 6316612 128
+  330.1813 874017.1 17
+  340.1659 1442995.9 29
+  453.2493 907366.5 18
+//
diff --git a/Eawag/MSBNK-MLU-ED234406.txt b/Eawag/MSBNK-MLU-ED234406.txt
new file mode 100644
index 0000000000..e2ccabe7ac
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED234406.txt
@@ -0,0 +1,99 @@
+ACCESSION: MSBNK-MLU-ED234406
+RECORD_TITLE: Insulapeptolide H; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], C. Mehner [dtc], G. M. Koenig  [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2344
+CH$NAME: Insulapeptolide H
+CH$NAME: (S)-N-((S)-1-(((1S,2S,5S,8S,11R,12S,15S,18S,21R)-5-benzyl-8-((R)-sec-butyl)-21-hydroxy-2-((R)-1-hydroxyethyl)-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-15-phenethyl-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-hydroxy-1-oxopropan-2-yl)-1-butyrylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C51H72N8O13
+CH$EXACT_MASS: 1004.521884
+CH$SMILES: CCCC(N1[C@H](C(N[C@H](C(N[C@@H]([C@H](OC([C@H]([C@H](C)CC)N2)=O)C)C(N[C@@H](CCC3=CC=CC=C3)C(N[C@@H]4C([N@@]([C@H](C(N(C)[C@H](C2=O)CC5=CC=CC=C5)=O)[C@@H](C)O)[C@H](O)CC4)=O)=O)=O)=O)CO)=O)CCC1)=O
+CH$IUPAC: InChI=1S/C51H72N8O13/c1-7-16-39(62)58-26-15-21-37(58)46(66)54-36(28-60)45(65)56-42-31(5)72-51(71)41(29(3)8-2)55-47(67)38(27-33-19-13-10-14-20-33)57(6)50(70)43(30(4)61)59-40(63)25-24-35(49(59)69)53-44(64)34(52-48(42)68)23-22-32-17-11-9-12-18-32/h9-14,17-20,29-31,34-38,40-43,60-61,63H,7-8,15-16,21-28H2,1-6H3,(H,52,68)(H,53,64)(H,54,66)(H,55,67)(H,56,65)/t29-,30-,31-,34+,35+,36+,37+,38+,40-,41+,42+,43+/m1/s1
+CH$LINK: INCHIKEY KADJXRUDRPKAEU-NBHXZYMHSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 69-1045
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.249 min
+MS$FOCUSED_ION: BASE_PEAK 987.5191
+MS$FOCUSED_ION: PRECURSOR_M/Z 1005.5292
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 343707317.75
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00di-6900000000-82bcfdc46bae3014c5a9
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  70.0652 C4H8N+ 1 70.0651 1.09
+  71.0489 C4H7O+ 1 71.0491 -3.47
+  74.0601 C3H8NO+ 1 74.06 0.54
+  80.0495 C5H6N+ 1 80.0495 -0.21
+  84.0444 C4H6NO+ 1 84.0444 0.3
+  91.0542 C7H7+ 1 91.0542 -0.5
+  96.0807 C6H10N+ 1 96.0808 -0.68
+  117.0699 C9H9+ 1 117.0699 -0.16
+  119.073 C8H9N+ 1 119.073 0.58
+  123.0917 C7H11N2+ 1 123.0917 0.15
+  124.0757 C7H10NO+ 1 124.0757 -0.09
+  125.071 C6H9N2O+ 1 125.0709 0.62
+  126.0913 C7H12NO+ 1 126.0913 -0.29
+  134.0964 C9H12N+ 1 134.0964 -0.38
+  136.0392 C7H6NO2+ 1 136.0393 -0.76
+  139.0865 C7H11N2O+ 1 139.0866 -0.67
+  140.1069 C8H14NO+ 1 140.107 -0.68
+  141.1021 C7H13N2O+ 1 141.1022 -1.31
+  151.0866 C8H11N2O+ 1 151.0866 -0.25
+  153.0657 C7H9N2O2+ 1 153.0659 -1.15
+  162.0549 C9H8NO2+ 1 162.055 -0.12
+  167.0814 C8H11N2O2+ 1 167.0815 -0.88
+  168.1018 C9H14NO2+ 1 168.1019 -0.6
+  169.097 C8H13N2O2+ 1 169.0972 -0.65
+  179.0814 C9H11N2O2+ 1 179.0815 -0.81
+  197.0918 C9H13N2O3+ 1 197.0921 -1.59
+  200.1065 C13H14NO+ 2 200.107 -2.36
+  209.1283 C11H17N2O2+ 1 209.1285 -0.84
+  237.1229 C12H17N2O3+ 2 237.1234 -1.93
+PK$NUM_PEAK: 29
+PK$PEAK: m/z int. rel.int.
+  70.0652 56562376 999
+  71.0489 594577.9 10
+  74.0601 2991999 52
+  80.0495 1362175.6 24
+  84.0444 975170.8 17
+  91.0542 2297144.2 40
+  96.0807 620177.5 10
+  117.0699 2265751.5 40
+  119.073 875981.1 15
+  123.0917 1545618.2 27
+  124.0757 2162940 38
+  125.071 597446.6 10
+  126.0913 1376792.1 24
+  134.0964 25465618 449
+  136.0392 1296422.6 22
+  139.0865 664864.4 11
+  140.1069 23134288 408
+  141.1021 3179174.8 56
+  151.0866 5596821 98
+  153.0657 1218581 21
+  162.0549 583611.4 10
+  167.0814 1063390.2 18
+  168.1018 6400586.5 113
+  169.097 7600116 134
+  179.0814 4418930.5 78
+  197.0918 2372862.8 41
+  200.1065 1573899 27
+  209.1283 1005814.1 17
+  237.1229 2266582.8 40
+//
diff --git a/Eawag/MSBNK-MLU-ED234407.txt b/Eawag/MSBNK-MLU-ED234407.txt
new file mode 100644
index 0000000000..83f25617fc
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED234407.txt
@@ -0,0 +1,99 @@
+ACCESSION: MSBNK-MLU-ED234407
+RECORD_TITLE: Insulapeptolide H; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], C. Mehner [dtc], G. M. Koenig  [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2344
+CH$NAME: Insulapeptolide H
+CH$NAME: (S)-N-((S)-1-(((1S,2S,5S,8S,11R,12S,15S,18S,21R)-5-benzyl-8-((R)-sec-butyl)-21-hydroxy-2-((R)-1-hydroxyethyl)-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-15-phenethyl-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-hydroxy-1-oxopropan-2-yl)-1-butyrylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C51H72N8O13
+CH$EXACT_MASS: 1004.521884
+CH$SMILES: CCCC(N1[C@H](C(N[C@H](C(N[C@@H]([C@H](OC([C@H]([C@H](C)CC)N2)=O)C)C(N[C@@H](CCC3=CC=CC=C3)C(N[C@@H]4C([N@@]([C@H](C(N(C)[C@H](C2=O)CC5=CC=CC=C5)=O)[C@@H](C)O)[C@H](O)CC4)=O)=O)=O)=O)CO)=O)CCC1)=O
+CH$IUPAC: InChI=1S/C51H72N8O13/c1-7-16-39(62)58-26-15-21-37(58)46(66)54-36(28-60)45(65)56-42-31(5)72-51(71)41(29(3)8-2)55-47(67)38(27-33-19-13-10-14-20-33)57(6)50(70)43(30(4)61)59-40(63)25-24-35(49(59)69)53-44(64)34(52-48(42)68)23-22-32-17-11-9-12-18-32/h9-14,17-20,29-31,34-38,40-43,60-61,63H,7-8,15-16,21-28H2,1-6H3,(H,52,68)(H,53,64)(H,54,66)(H,55,67)(H,56,65)/t29-,30-,31-,34+,35+,36+,37+,38+,40-,41+,42+,43+/m1/s1
+CH$LINK: INCHIKEY KADJXRUDRPKAEU-NBHXZYMHSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 69-1045
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.249 min
+MS$FOCUSED_ION: BASE_PEAK 987.5191
+MS$FOCUSED_ION: PRECURSOR_M/Z 1005.5292
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 343707317.75
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00di-9600000000-91dc9d779de7c85e3a06
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  70.0652 C4H8N+ 1 70.0651 1.19
+  71.0491 C4H7O+ 1 71.0491 -0.46
+  74.0601 C3H8NO+ 1 74.06 0.54
+  80.0495 C5H6N+ 1 80.0495 -0.02
+  82.0651 C5H8N+ 1 82.0651 -0.2
+  84.0444 C4H6NO+ 1 84.0444 0.11
+  91.0542 C7H7+ 1 91.0542 0.09
+  96.0807 C6H10N+ 1 96.0808 -0.91
+  106.0652 C7H8N+ 1 106.0651 0.37
+  117.0699 C9H9+ 1 117.0699 0.04
+  118.0652 C8H8N+ 1 118.0651 0.74
+  119.073 C8H9N+ 1 119.073 0.2
+  123.0916 C7H11N2+ 1 123.0917 -0.29
+  124.0757 C7H10NO+ 1 124.0757 0.21
+  125.0709 C6H9N2O+ 1 125.0709 -0.35
+  126.0913 C7H12NO+ 1 126.0913 0.01
+  134.0964 C9H12N+ 1 134.0964 -0.15
+  136.0391 C7H6NO2+ 1 136.0393 -1.43
+  139.0864 C7H11N2O+ 1 139.0866 -1.21
+  140.1069 C8H14NO+ 1 140.107 -0.57
+  141.1022 C7H13N2O+ 1 141.1022 -0.23
+  151.0865 C8H11N2O+ 1 151.0866 -0.55
+  153.0657 C7H9N2O2+ 1 153.0659 -0.95
+  167.0815 C8H11N2O2+ 1 167.0815 -0.06
+  168.1019 C9H14NO2+ 1 168.1019 -0.24
+  169.0971 C8H13N2O2+ 1 169.0972 -0.29
+  179.0814 C9H11N2O2+ 1 179.0815 -0.64
+  200.1067 C13H14NO+ 1 200.107 -1.22
+  237.1232 C12H17N2O3+ 1 237.1234 -0.64
+PK$NUM_PEAK: 29
+PK$PEAK: m/z int. rel.int.
+  70.0652 93144152 999
+  71.0491 1385479.6 14
+  74.0601 5550688.5 59
+  80.0495 3320869.8 35
+  82.0651 1098203 11
+  84.0444 2170918.8 23
+  91.0542 5878640.5 63
+  96.0807 1793399.2 19
+  106.0652 1261516.5 13
+  117.0699 3376270.5 36
+  118.0652 945268.1 10
+  119.073 2169107 23
+  123.0916 2861036.8 30
+  124.0757 4008748 42
+  125.0709 1096224.9 11
+  126.0913 1791407.2 19
+  134.0964 28491150 305
+  136.0391 1267856.8 13
+  139.0864 1066933.4 11
+  140.1069 14815987 158
+  141.1022 3059271.8 32
+  151.0865 7733610 82
+  153.0657 1200116.8 12
+  167.0815 1593603.6 17
+  168.1019 2708058 29
+  169.0971 5106257.5 54
+  179.0814 3543341.2 38
+  200.1067 1723108.8 18
+  237.1232 1080578.6 11
+//
diff --git a/Eawag/MSBNK-MLU-ED234408.txt b/Eawag/MSBNK-MLU-ED234408.txt
new file mode 100644
index 0000000000..48b0da978c
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED234408.txt
@@ -0,0 +1,87 @@
+ACCESSION: MSBNK-MLU-ED234408
+RECORD_TITLE: Insulapeptolide H; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], C. Mehner [dtc], G. M. Koenig  [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2344
+CH$NAME: Insulapeptolide H
+CH$NAME: (S)-N-((S)-1-(((1S,2S,5S,8S,11R,12S,15S,18S,21R)-5-benzyl-8-((R)-sec-butyl)-21-hydroxy-2-((R)-1-hydroxyethyl)-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-15-phenethyl-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-hydroxy-1-oxopropan-2-yl)-1-butyrylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C51H72N8O13
+CH$EXACT_MASS: 1004.521884
+CH$SMILES: CCCC(N1[C@H](C(N[C@H](C(N[C@@H]([C@H](OC([C@H]([C@H](C)CC)N2)=O)C)C(N[C@@H](CCC3=CC=CC=C3)C(N[C@@H]4C([N@@]([C@H](C(N(C)[C@H](C2=O)CC5=CC=CC=C5)=O)[C@@H](C)O)[C@H](O)CC4)=O)=O)=O)=O)CO)=O)CCC1)=O
+CH$IUPAC: InChI=1S/C51H72N8O13/c1-7-16-39(62)58-26-15-21-37(58)46(66)54-36(28-60)45(65)56-42-31(5)72-51(71)41(29(3)8-2)55-47(67)38(27-33-19-13-10-14-20-33)57(6)50(70)43(30(4)61)59-40(63)25-24-35(49(59)69)53-44(64)34(52-48(42)68)23-22-32-17-11-9-12-18-32/h9-14,17-20,29-31,34-38,40-43,60-61,63H,7-8,15-16,21-28H2,1-6H3,(H,52,68)(H,53,64)(H,54,66)(H,55,67)(H,56,65)/t29-,30-,31-,34+,35+,36+,37+,38+,40-,41+,42+,43+/m1/s1
+CH$LINK: INCHIKEY KADJXRUDRPKAEU-NBHXZYMHSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 69-1045
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.249 min
+MS$FOCUSED_ION: BASE_PEAK 987.5191
+MS$FOCUSED_ION: PRECURSOR_M/Z 1005.5292
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 343707317.75
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00di-9400000000-4ba20810c4a503e7b996
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  70.0652 C4H8N+ 1 70.0651 1.3
+  71.0492 C4H7O+ 1 71.0491 0.93
+  74.0601 C3H8NO+ 1 74.06 0.75
+  80.0495 C5H6N+ 1 80.0495 0.17
+  82.0652 C5H8N+ 1 82.0651 0.55
+  84.0444 C4H6NO+ 1 84.0444 0.57
+  91.0543 C7H7+ 1 91.0542 0.34
+  96.0808 C6H10N+ 1 96.0808 0.28
+  105.0699 C8H9+ 1 105.0699 -0.12
+  106.0652 C7H8N+ 1 106.0651 0.8
+  117.0699 C9H9+ 1 117.0699 -0.09
+  118.0651 C8H8N+ 1 118.0651 -0.36
+  119.073 C8H9N+ 1 119.073 0.46
+  123.0918 C7H11N2+ 1 123.0917 0.89
+  124.0757 C7H10NO+ 1 124.0757 0.21
+  126.0913 C7H12NO+ 1 126.0913 -0.05
+  134.0964 C9H12N+ 1 134.0964 -0.15
+  140.107 C8H14NO+ 1 140.107 -0.25
+  141.1022 C7H13N2O+ 1 141.1022 -0.01
+  151.0865 C8H11N2O+ 1 151.0866 -0.45
+  167.0818 C8H11N2O2+ 1 167.0815 1.85
+  169.0972 C8H13N2O2+ 1 169.0972 0.43
+  179.0813 C9H11N2O2+ 1 179.0815 -1.07
+PK$NUM_PEAK: 23
+PK$PEAK: m/z int. rel.int.
+  70.0652 95953304 999
+  71.0492 1611265.4 16
+  74.0601 5458635 56
+  80.0495 5003506 52
+  82.0652 1424200.5 14
+  84.0444 2419802.5 25
+  91.0543 8697940 90
+  96.0808 2804671.2 29
+  105.0699 1586378.9 16
+  106.0652 1566506.1 16
+  117.0699 3128795.8 32
+  118.0651 1215357.5 12
+  119.073 4286590.5 44
+  123.0918 2610904.2 27
+  124.0757 4254592 44
+  126.0913 1332837.1 13
+  134.0964 23279788 242
+  140.107 5173778 53
+  141.1022 1588354.9 16
+  151.0865 4338900 45
+  167.0818 1054659.6 10
+  169.0972 1565081.1 16
+  179.0813 1149481.9 11
+//
diff --git a/Eawag/MSBNK-MLU-ED234409.txt b/Eawag/MSBNK-MLU-ED234409.txt
new file mode 100644
index 0000000000..104339822d
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED234409.txt
@@ -0,0 +1,77 @@
+ACCESSION: MSBNK-MLU-ED234409
+RECORD_TITLE: Insulapeptolide H; LC-ESI-QFT; MS2; CE: 80%; R=15000; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], C. Mehner [dtc], G. M. Koenig  [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2344
+CH$NAME: Insulapeptolide H
+CH$NAME: (S)-N-((S)-1-(((1S,2S,5S,8S,11R,12S,15S,18S,21R)-5-benzyl-8-((R)-sec-butyl)-21-hydroxy-2-((R)-1-hydroxyethyl)-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-15-phenethyl-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-hydroxy-1-oxopropan-2-yl)-1-butyrylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C51H72N8O13
+CH$EXACT_MASS: 1004.521884
+CH$SMILES: CCCC(N1[C@H](C(N[C@H](C(N[C@@H]([C@H](OC([C@H]([C@H](C)CC)N2)=O)C)C(N[C@@H](CCC3=CC=CC=C3)C(N[C@@H]4C([N@@]([C@H](C(N(C)[C@H](C2=O)CC5=CC=CC=C5)=O)[C@@H](C)O)[C@H](O)CC4)=O)=O)=O)=O)CO)=O)CCC1)=O
+CH$IUPAC: InChI=1S/C51H72N8O13/c1-7-16-39(62)58-26-15-21-37(58)46(66)54-36(28-60)45(65)56-42-31(5)72-51(71)41(29(3)8-2)55-47(67)38(27-33-19-13-10-14-20-33)57(6)50(70)43(30(4)61)59-40(63)25-24-35(49(59)69)53-44(64)34(52-48(42)68)23-22-32-17-11-9-12-18-32/h9-14,17-20,29-31,34-38,40-43,60-61,63H,7-8,15-16,21-28H2,1-6H3,(H,52,68)(H,53,64)(H,54,66)(H,55,67)(H,56,65)/t29-,30-,31-,34+,35+,36+,37+,38+,40-,41+,42+,43+/m1/s1
+CH$LINK: INCHIKEY KADJXRUDRPKAEU-NBHXZYMHSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 69-1045
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.249 min
+MS$FOCUSED_ION: BASE_PEAK 987.5191
+MS$FOCUSED_ION: PRECURSOR_M/Z 1005.5292
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 343707317.75
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00di-9200000000-5ec80c57c4b837e27c02
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  70.0652 C4H8N+ 1 70.0651 1.19
+  71.0492 C4H7O+ 1 71.0491 0.39
+  74.0601 C3H8NO+ 1 74.06 1.06
+  80.0495 C5H6N+ 1 80.0495 0.26
+  82.0652 C5H8N+ 1 82.0651 0.55
+  84.0444 C4H6NO+ 1 84.0444 -0.34
+  91.0542 C7H7+ 1 91.0542 -0.08
+  96.0808 C6H10N+ 1 96.0808 -0.12
+  105.0699 C8H9+ 1 105.0699 -0.12
+  106.0651 C7H8N+ 1 106.0651 -0.21
+  118.0651 C8H8N+ 1 118.0651 0.03
+  119.073 C8H9N+ 1 119.073 0.46
+  123.0917 C7H11N2+ 1 123.0917 0.21
+  124.0756 C7H10NO+ 1 124.0757 -0.46
+  126.0914 C7H12NO+ 1 126.0913 0.31
+  134.0964 C9H12N+ 1 134.0964 -0.38
+  140.107 C8H14NO+ 1 140.107 -0.14
+  151.0865 C8H11N2O+ 1 151.0866 -0.55
+PK$NUM_PEAK: 18
+PK$PEAK: m/z int. rel.int.
+  70.0652 93091560 999
+  71.0492 1779462.1 19
+  74.0601 4127270.5 44
+  80.0495 6040445 64
+  82.0652 1501552.2 16
+  84.0444 2302052 24
+  91.0542 11400458 122
+  96.0808 3350294 35
+  105.0699 2129355.2 22
+  106.0651 1936262.8 20
+  118.0651 1595479 17
+  119.073 6480722 69
+  123.0917 1645826.1 17
+  124.0756 3505099.2 37
+  126.0914 1161912.6 12
+  134.0964 16667038 178
+  140.107 1805266.8 19
+  151.0865 1991426.2 21
+//
diff --git a/Eawag/MSBNK-MLU-ED234451.txt b/Eawag/MSBNK-MLU-ED234451.txt
new file mode 100644
index 0000000000..7b5647e6a4
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED234451.txt
@@ -0,0 +1,55 @@
+ACCESSION: MSBNK-MLU-ED234451
+RECORD_TITLE: Insulapeptolide H; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], C. Mehner [dtc], G. M. Koenig  [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2344
+CH$NAME: Insulapeptolide H
+CH$NAME: (S)-N-((S)-1-(((1S,2S,5S,8S,11R,12S,15S,18S,21R)-5-benzyl-8-((R)-sec-butyl)-21-hydroxy-2-((R)-1-hydroxyethyl)-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-15-phenethyl-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-hydroxy-1-oxopropan-2-yl)-1-butyrylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C51H72N8O13
+CH$EXACT_MASS: 1004.521884
+CH$SMILES: CCCC(N1[C@H](C(N[C@H](C(N[C@@H]([C@H](OC([C@H]([C@H](C)CC)N2)=O)C)C(N[C@@H](CCC3=CC=CC=C3)C(N[C@@H]4C([N@@]([C@H](C(N(C)[C@H](C2=O)CC5=CC=CC=C5)=O)[C@@H](C)O)[C@H](O)CC4)=O)=O)=O)=O)CO)=O)CCC1)=O
+CH$IUPAC: InChI=1S/C51H72N8O13/c1-7-16-39(62)58-26-15-21-37(58)46(66)54-36(28-60)45(65)56-42-31(5)72-51(71)41(29(3)8-2)55-47(67)38(27-33-19-13-10-14-20-33)57(6)50(70)43(30(4)61)59-40(63)25-24-35(49(59)69)53-44(64)34(52-48(42)68)23-22-32-17-11-9-12-18-32/h9-14,17-20,29-31,34-38,40-43,60-61,63H,7-8,15-16,21-28H2,1-6H3,(H,52,68)(H,53,64)(H,54,66)(H,55,67)(H,56,65)/t29-,30-,31-,34+,35+,36+,37+,38+,40-,41+,42+,43+/m1/s1
+CH$LINK: INCHIKEY KADJXRUDRPKAEU-NBHXZYMHSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 69-1040
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.228 min
+MS$FOCUSED_ION: BASE_PEAK 1003.5142
+MS$FOCUSED_ION: PRECURSOR_M/Z 1003.5146
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 527329731
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0zfr-9000002107-53174da6d96f6bf48f90
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  642.3262 C32H50O13- 10 642.3257 0.76
+  686.3522 C33H48N7O9- 9 686.3519 0.42
+  716.3627 C34H50N7O10- 11 716.3625 0.33
+  929.4789 C50H67N5O12- 2 929.4792 -0.29
+  959.489 C49H67N8O12- 2 959.4884 0.64
+  973.5039 C50H69N8O12- 1 973.504 -0.13
+  1003.5154 C51H71N8O13- 1 1003.5146 0.77
+PK$NUM_PEAK: 7
+PK$PEAK: m/z int. rel.int.
+  642.3262 6901763 78
+  686.3522 12744478 144
+  716.3627 12142408 137
+  929.4789 6624608.5 75
+  959.489 60143008 682
+  973.5039 2974249.8 33
+  1003.5154 87996304 999
+//
diff --git a/Eawag/MSBNK-MLU-ED234452.txt b/Eawag/MSBNK-MLU-ED234452.txt
new file mode 100644
index 0000000000..e467ee89e8
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED234452.txt
@@ -0,0 +1,59 @@
+ACCESSION: MSBNK-MLU-ED234452
+RECORD_TITLE: Insulapeptolide H; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], C. Mehner [dtc], G. M. Koenig  [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2344
+CH$NAME: Insulapeptolide H
+CH$NAME: (S)-N-((S)-1-(((1S,2S,5S,8S,11R,12S,15S,18S,21R)-5-benzyl-8-((R)-sec-butyl)-21-hydroxy-2-((R)-1-hydroxyethyl)-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-15-phenethyl-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-hydroxy-1-oxopropan-2-yl)-1-butyrylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C51H72N8O13
+CH$EXACT_MASS: 1004.521884
+CH$SMILES: CCCC(N1[C@H](C(N[C@H](C(N[C@@H]([C@H](OC([C@H]([C@H](C)CC)N2)=O)C)C(N[C@@H](CCC3=CC=CC=C3)C(N[C@@H]4C([N@@]([C@H](C(N(C)[C@H](C2=O)CC5=CC=CC=C5)=O)[C@@H](C)O)[C@H](O)CC4)=O)=O)=O)=O)CO)=O)CCC1)=O
+CH$IUPAC: InChI=1S/C51H72N8O13/c1-7-16-39(62)58-26-15-21-37(58)46(66)54-36(28-60)45(65)56-42-31(5)72-51(71)41(29(3)8-2)55-47(67)38(27-33-19-13-10-14-20-33)57(6)50(70)43(30(4)61)59-40(63)25-24-35(49(59)69)53-44(64)34(52-48(42)68)23-22-32-17-11-9-12-18-32/h9-14,17-20,29-31,34-38,40-43,60-61,63H,7-8,15-16,21-28H2,1-6H3,(H,52,68)(H,53,64)(H,54,66)(H,55,67)(H,56,65)/t29-,30-,31-,34+,35+,36+,37+,38+,40-,41+,42+,43+/m1/s1
+CH$LINK: INCHIKEY KADJXRUDRPKAEU-NBHXZYMHSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 69-1040
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.228 min
+MS$FOCUSED_ION: BASE_PEAK 1003.5142
+MS$FOCUSED_ION: PRECURSOR_M/Z 1003.5146
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 527329731
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0pb9-4000002009-93c86e50dccfc4fe276d
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  622.3253 C33H44N5O7- 7 622.3246 1.03
+  686.3518 C33H48N7O9- 11 686.3519 -0.2
+  716.3627 C34H50N7O10- 11 716.3625 0.33
+  929.4788 C50H67N5O12- 2 929.4792 -0.42
+  941.4769 C49H65N8O11- 2 941.4778 -0.99
+  959.4887 C49H67N8O12- 2 959.4884 0.32
+  973.5037 C50H69N8O12- 1 973.504 -0.32
+  985.5066 C51H69N8O12- 1 985.504 2.56
+  1003.515 C51H71N8O13- 1 1003.5146 0.34
+PK$NUM_PEAK: 9
+PK$PEAK: m/z int. rel.int.
+  622.3253 1656364.2 29
+  686.3518 18994680 337
+  716.3627 4160857.5 73
+  929.4788 17911534 318
+  941.4769 4022255.5 71
+  959.4887 56180156 999
+  973.5037 9362301 166
+  985.5066 2140199.5 38
+  1003.515 46164416 820
+//
diff --git a/Eawag/MSBNK-MLU-ED234453.txt b/Eawag/MSBNK-MLU-ED234453.txt
new file mode 100644
index 0000000000..de68d68c57
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED234453.txt
@@ -0,0 +1,79 @@
+ACCESSION: MSBNK-MLU-ED234453
+RECORD_TITLE: Insulapeptolide H; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], C. Mehner [dtc], G. M. Koenig  [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2344
+CH$NAME: Insulapeptolide H
+CH$NAME: (S)-N-((S)-1-(((1S,2S,5S,8S,11R,12S,15S,18S,21R)-5-benzyl-8-((R)-sec-butyl)-21-hydroxy-2-((R)-1-hydroxyethyl)-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-15-phenethyl-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-hydroxy-1-oxopropan-2-yl)-1-butyrylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C51H72N8O13
+CH$EXACT_MASS: 1004.521884
+CH$SMILES: CCCC(N1[C@H](C(N[C@H](C(N[C@@H]([C@H](OC([C@H]([C@H](C)CC)N2)=O)C)C(N[C@@H](CCC3=CC=CC=C3)C(N[C@@H]4C([N@@]([C@H](C(N(C)[C@H](C2=O)CC5=CC=CC=C5)=O)[C@@H](C)O)[C@H](O)CC4)=O)=O)=O)=O)CO)=O)CCC1)=O
+CH$IUPAC: InChI=1S/C51H72N8O13/c1-7-16-39(62)58-26-15-21-37(58)46(66)54-36(28-60)45(65)56-42-31(5)72-51(71)41(29(3)8-2)55-47(67)38(27-33-19-13-10-14-20-33)57(6)50(70)43(30(4)61)59-40(63)25-24-35(49(59)69)53-44(64)34(52-48(42)68)23-22-32-17-11-9-12-18-32/h9-14,17-20,29-31,34-38,40-43,60-61,63H,7-8,15-16,21-28H2,1-6H3,(H,52,68)(H,53,64)(H,54,66)(H,55,67)(H,56,65)/t29-,30-,31-,34+,35+,36+,37+,38+,40-,41+,42+,43+/m1/s1
+CH$LINK: INCHIKEY KADJXRUDRPKAEU-NBHXZYMHSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 69-1040
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.228 min
+MS$FOCUSED_ION: BASE_PEAK 1003.5142
+MS$FOCUSED_ION: PRECURSOR_M/Z 1003.5146
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 527329731
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-002f-0001008009-99f4176ea1705b6d1759
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  183.1126 C7H13N5O- 1 183.1126 0
+  223.1075 C9H13N5O2- 1 223.1075 0.19
+  256.0964 C13H12N4O2- 4 256.0966 -0.86
+  305.1609 H27N5O13- 4 305.1611 -0.53
+  323.1715 C14H27O8- 3 323.1711 1.17
+  353.1827 C16H25N4O5- 5 353.183 -1.08
+  461.2387 C23H33N4O6- 5 461.2406 -4.03
+  514.2164 C23H34N2O11- 7 514.2168 -0.75
+  572.2789 C24H40N6O10- 8 572.2811 -3.93
+  622.3247 C33H44N5O7- 8 622.3246 0.05
+  642.3258 C32H50O13- 9 642.3257 0.09
+  656.3417 C33H52O13- 10 656.3413 0.52
+  686.3524 C33H48N7O9- 9 686.3519 0.78
+  929.4785 C50H67N5O12- 2 929.4792 -0.69
+  930.4803 C51H68N3O13- 1 930.4758 4.88
+  941.478 C49H65N8O11- 2 941.4778 0.18
+  959.4887 C49H67N8O12- 2 959.4884 0.32
+  973.5056 C50H69N8O12- 1 973.504 1.57
+  1003.5167 C51H71N8O13- 1 1003.5146 2.11
+PK$NUM_PEAK: 19
+PK$PEAK: m/z int. rel.int.
+  183.1126 717195.5 14
+  223.1075 710472.6 14
+  256.0964 716535.2 14
+  305.1609 2044349.6 41
+  323.1715 5800151 118
+  353.1827 790137.8 16
+  461.2387 566452.5 11
+  514.2164 764751.1 15
+  572.2789 802548.2 16
+  622.3247 7807494 159
+  642.3258 48885928 999
+  656.3417 3574396.2 73
+  686.3524 5178332.5 105
+  929.4785 36070684 737
+  930.4803 2126016 43
+  941.478 6286897.5 128
+  959.4887 22804278 466
+  973.5056 3965409.2 81
+  1003.5167 5175581 105
+//
diff --git a/Eawag/MSBNK-MLU-ED234454.txt b/Eawag/MSBNK-MLU-ED234454.txt
new file mode 100644
index 0000000000..191043d879
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED234454.txt
@@ -0,0 +1,135 @@
+ACCESSION: MSBNK-MLU-ED234454
+RECORD_TITLE: Insulapeptolide H; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], C. Mehner [dtc], G. M. Koenig  [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2344
+CH$NAME: Insulapeptolide H
+CH$NAME: (S)-N-((S)-1-(((1S,2S,5S,8S,11R,12S,15S,18S,21R)-5-benzyl-8-((R)-sec-butyl)-21-hydroxy-2-((R)-1-hydroxyethyl)-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-15-phenethyl-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-hydroxy-1-oxopropan-2-yl)-1-butyrylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C51H72N8O13
+CH$EXACT_MASS: 1004.521884
+CH$SMILES: CCCC(N1[C@H](C(N[C@H](C(N[C@@H]([C@H](OC([C@H]([C@H](C)CC)N2)=O)C)C(N[C@@H](CCC3=CC=CC=C3)C(N[C@@H]4C([N@@]([C@H](C(N(C)[C@H](C2=O)CC5=CC=CC=C5)=O)[C@@H](C)O)[C@H](O)CC4)=O)=O)=O)=O)CO)=O)CCC1)=O
+CH$IUPAC: InChI=1S/C51H72N8O13/c1-7-16-39(62)58-26-15-21-37(58)46(66)54-36(28-60)45(65)56-42-31(5)72-51(71)41(29(3)8-2)55-47(67)38(27-33-19-13-10-14-20-33)57(6)50(70)43(30(4)61)59-40(63)25-24-35(49(59)69)53-44(64)34(52-48(42)68)23-22-32-17-11-9-12-18-32/h9-14,17-20,29-31,34-38,40-43,60-61,63H,7-8,15-16,21-28H2,1-6H3,(H,52,68)(H,53,64)(H,54,66)(H,55,67)(H,56,65)/t29-,30-,31-,34+,35+,36+,37+,38+,40-,41+,42+,43+/m1/s1
+CH$LINK: INCHIKEY KADJXRUDRPKAEU-NBHXZYMHSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 69-1040
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.228 min
+MS$FOCUSED_ION: BASE_PEAK 1003.5142
+MS$FOCUSED_ION: PRECURSOR_M/Z 1003.5146
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 527329731
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0096-0234019004-9df9cfb5c786bb587c38
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  84.0078 CN4O- 1 84.0078 0.3
+  99.0551 C2H5N5- 1 99.055 0.32
+  113.0342 C2H3N5O- 1 113.0343 -1.3
+  130.0861 C4H10N4O- 1 130.086 0.93
+  139.0499 C4H5N5O- 1 139.05 -0.67
+  140.0339 C4H4N4O2- 1 140.034 -0.45
+  144.0765 C3H8N6O- 1 144.0765 0.2
+  151.0504 C5H5N5O- 1 151.05 2.78
+  170.0554 C4H6N6O2- 1 170.0558 -2.3
+  170.0922 C5H10N6O- 1 170.0922 0.24
+  178.086 C8H10N4O- 1 178.086 -0.06
+  182.0922 C6H10N6O- 1 182.0922 0.24
+  183.1126 C7H13N5O- 1 183.1126 0.08
+  210.1235 C8H14N6O- 1 210.1235 0.34
+  212.1059 C12H12N4- 2 212.1067 -3.97
+  216.1373 C11H20O4- 2 216.1367 2.73
+  217.0967 C10H11N5O- 1 217.0969 -0.78
+  223.1072 C9H13N5O2- 3 223.1075 -1.11
+  227.1142 C8H19O7- 3 227.1136 2.47
+  229.096 C11H11N5O- 3 229.0969 -4.02
+  235.1189 C10H19O6- 2 235.1187 0.68
+  240.1341 C9H16N6O2- 1 240.134 0.12
+  243.1124 C12H13N5O- 3 243.1126 -0.58
+  256.0963 C13H12N4O2- 4 256.0966 -1.22
+  262.1545 C12H18N6O- 2 262.1548 -0.9
+  268.1441 C14H16N6- 3 268.1442 -0.29
+  297.1554 C11H19N7O3- 4 297.1555 -0.39
+  305.161 H27N5O13- 4 305.1611 -0.23
+  323.1717 C14H27O8- 3 323.1711 1.83
+  343.1765 CH27N8O12- 6 343.1754 3.27
+  353.1831 C16H25N4O5- 5 353.183 0.21
+  362.1843 C17H24N5O4- 4 362.1834 2.42
+  368.1935 C16H26N5O5- 4 368.1939 -1.27
+  415.2339 C22H31N4O4- 5 415.2351 -2.72
+  418.2099 C20H28N5O5- 5 418.2096 0.74
+  514.217 C23H34N2O11- 7 514.2168 0.31
+  572.2835 C24H40N6O10- 7 572.2811 4.18
+  586.2996 C29H46O12- 9 586.2995 0.27
+  622.3245 C33H44N5O7- 8 622.3246 -0.15
+  642.3257 C32H50O13- 11 642.3257 0
+  656.3416 C33H52O13- 9 656.3413 0.34
+  686.3526 C33H48N7O9- 10 686.3519 0.96
+  757.3564 C40H49N6O9- 8 757.3567 -0.29
+  911.4716 C48H63N8O10- 2 911.4673 4.78
+  929.4787 C50H67N5O12- 2 929.4792 -0.55
+  941.4753 C49H65N8O11- 2 941.4778 -2.67
+  959.4882 C49H67N8O12- 2 959.4884 -0.25
+PK$NUM_PEAK: 47
+PK$PEAK: m/z int. rel.int.
+  84.0078 545722.9 21
+  99.0551 569197 22
+  113.0342 549339.6 21
+  130.0861 2103680.8 82
+  139.0499 472386.2 18
+  140.0339 822468.8 32
+  144.0765 256694.7 10
+  151.0504 935486.8 36
+  170.0554 465295.2 18
+  170.0922 1049468 40
+  178.086 258211.1 10
+  182.0922 735810.2 28
+  183.1126 1718995.1 67
+  210.1235 287689.8 11
+  212.1059 288618.2 11
+  216.1373 547415.1 21
+  217.0967 2815011 109
+  223.1072 1891932.6 73
+  227.1142 288173.8 11
+  229.096 756315.9 29
+  235.1189 948295.6 37
+  240.1341 2778508.8 108
+  243.1124 565029.2 22
+  256.0963 2036946.5 79
+  262.1545 264526.8 10
+  268.1441 299014.2 11
+  297.1554 1231681.9 48
+  305.161 6520804 254
+  323.1717 9149324 357
+  343.1765 385367.1 15
+  353.1831 557476.6 21
+  362.1843 783034.9 30
+  368.1935 1445187.9 56
+  415.2339 257144.4 10
+  418.2099 1412565.9 55
+  514.217 888236.2 34
+  572.2835 1972609.1 77
+  586.2996 5183227.5 202
+  622.3245 8699478 339
+  642.3257 25583982 999
+  656.3416 2213107.5 86
+  686.3526 481526.8 18
+  757.3564 443060.2 17
+  911.4716 705072.9 27
+  929.4787 15932334 622
+  941.4753 1502848.6 58
+  959.4882 2034183.9 79
+//
diff --git a/Eawag/MSBNK-MLU-ED234455.txt b/Eawag/MSBNK-MLU-ED234455.txt
new file mode 100644
index 0000000000..fbf774e10a
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED234455.txt
@@ -0,0 +1,261 @@
+ACCESSION: MSBNK-MLU-ED234455
+RECORD_TITLE: Insulapeptolide H; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], C. Mehner [dtc], G. M. Koenig  [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2344
+CH$NAME: Insulapeptolide H
+CH$NAME: (S)-N-((S)-1-(((1S,2S,5S,8S,11R,12S,15S,18S,21R)-5-benzyl-8-((R)-sec-butyl)-21-hydroxy-2-((R)-1-hydroxyethyl)-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-15-phenethyl-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-hydroxy-1-oxopropan-2-yl)-1-butyrylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C51H72N8O13
+CH$EXACT_MASS: 1004.521884
+CH$SMILES: CCCC(N1[C@H](C(N[C@H](C(N[C@@H]([C@H](OC([C@H]([C@H](C)CC)N2)=O)C)C(N[C@@H](CCC3=CC=CC=C3)C(N[C@@H]4C([N@@]([C@H](C(N(C)[C@H](C2=O)CC5=CC=CC=C5)=O)[C@@H](C)O)[C@H](O)CC4)=O)=O)=O)=O)CO)=O)CCC1)=O
+CH$IUPAC: InChI=1S/C51H72N8O13/c1-7-16-39(62)58-26-15-21-37(58)46(66)54-36(28-60)45(65)56-42-31(5)72-51(71)41(29(3)8-2)55-47(67)38(27-33-19-13-10-14-20-33)57(6)50(70)43(30(4)61)59-40(63)25-24-35(49(59)69)53-44(64)34(52-48(42)68)23-22-32-17-11-9-12-18-32/h9-14,17-20,29-31,34-38,40-43,60-61,63H,7-8,15-16,21-28H2,1-6H3,(H,52,68)(H,53,64)(H,54,66)(H,55,67)(H,56,65)/t29-,30-,31-,34+,35+,36+,37+,38+,40-,41+,42+,43+/m1/s1
+CH$LINK: INCHIKEY KADJXRUDRPKAEU-NBHXZYMHSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 69-1040
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.228 min
+MS$FOCUSED_ION: BASE_PEAK 1003.5142
+MS$FOCUSED_ION: PRECURSOR_M/Z 1003.5146
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 527329731
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0cl0-1973000000-681f5c5425c5d9d92b16
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  73.0394 H3N5- 1 73.0394 -0.28
+  74.0233 H2N4O- 1 74.0234 -1.51
+  82.0288 C2H2N4- 1 82.0285 3.45
+  83.0237 CHN5- 1 83.0237 -0.5
+  84.0078 CN4O- 1 84.0078 0.75
+  85.0394 CH3N5- 1 85.0394 0.23
+  86.0599 C2H6N4- 1 86.0598 1.52
+  87.0549 CH5N5- 1 87.055 -1.28
+  95.0238 C2HN5- 1 95.0237 0.68
+  97.0395 C2H3N5- 1 97.0394 0.77
+  99.0186 CHN5O- 1 99.0187 -0.37
+  99.0552 C2H5N5- 1 99.055 1.24
+  100.0391 C2H4N4O- 1 100.0391 0.56
+  108.0441 C4H4N4- 1 108.0441 -0.24
+  110.0235 C3H2N4O- 1 110.0234 1.04
+  111.0185 C2HN5O- 1 111.0187 -1.1
+  111.0549 C3H5N5- 1 111.055 -1.11
+  112.0267 C2H2N5O- 1 112.0265 1.62
+  113.0343 C2H3N5O- 1 113.0343 0.32
+  113.0707 C3H7N5- 1 113.0707 -0.29
+  114.0546 C3H6N4O- 1 114.0547 -0.69
+  116.0704 C3H8N4O- 1 116.0704 0.1
+  121.0393 C4H3N5- 1 121.0394 -1.15
+  122.0236 C4H2N4O- 1 122.0234 1.73
+  123.0549 C4H5N5- 1 123.055 -0.98
+  124.0391 C4H4N4O- 1 124.0391 0.62
+  125.0345 C3H3N5O- 1 125.0343 1.7
+  125.0705 C4H7N5- 1 125.0707 -1.42
+  127.0501 C3H5N5O- 1 127.05 0.96
+  127.0864 C4H9N5- 1 127.0863 0.83
+  130.0861 C4H10N4O- 1 130.086 0.7
+  131.0488 C7H5N3- 1 131.0489 -0.83
+  136.0392 C5H4N4O- 1 136.0391 1.35
+  138.066 C4H6N6- 1 138.0659 0.44
+  139.0501 C4H5N5O- 1 139.05 0.98
+  140.0341 C4H4N4O2- 1 140.034 1.08
+  141.0659 C4H7N5O- 1 141.0656 2.28
+  144.0766 C3H8N6O- 1 144.0765 0.63
+  147.0437 C7H5N3O- 1 147.0438 -0.66
+  151.0502 C5H5N5O- 1 151.05 1.57
+  153.0654 C5H7N5O- 1 153.0656 -1.67
+  154.0611 C4H6N6O- 1 154.0609 1.66
+  155.1177 C6H13N5- 1 155.1176 0.33
+  156.077 C4H8N6O- 1 156.0765 3.08
+  160.0756 C8H8N4- 1 160.0754 0.87
+  166.0604 C5H6N6O- 1 166.0609 -2.58
+  166.0855 C6H14O5- 3 166.0847 4.71
+  169.0483 C4H5N6O2- 1 169.0479 1.89
+  170.0559 C4H6N6O2- 1 170.0558 0.84
+  170.0922 C5H10N6O- 1 170.0922 0.07
+  177.1018 C8H11N5- 1 177.102 -0.81
+  178.0858 C8H10N4O- 1 178.086 -1.17
+  182.0561 C5H6N6O2- 1 182.0558 1.72
+  182.0922 C6H10N6O- 1 182.0922 0.24
+  183.1126 C7H13N5O- 1 183.1126 0.42
+  184.0714 C5H8N6O2- 1 184.0714 0
+  184.1078 C6H12N6O- 1 184.1078 0.12
+  187.0867 C9H9N5- 1 187.0863 1.9
+  191.1175 C9H13N5- 1 191.1176 -0.94
+  192.1133 C8H12N6- 2 192.1129 2.11
+  199.0863 C10H9N5- 1 199.0863 -0.34
+  200.0702 C10H8N4O- 1 200.0704 -0.6
+  203.0808 C9H9N5O- 3 203.0813 -2.42
+  208.1082 C8H12N6O- 2 208.1078 1.95
+  209.1028 C7H11N7O- 2 209.1031 -1.18
+  210.1234 C8H14N6O- 1 210.1235 -0.31
+  212.1071 C12H12N4- 2 212.1067 1.64
+  213.1016 C11H11N5- 2 213.102 -1.78
+  215.0819 C10H9N5O- 2 215.0813 3.18
+  215.1179 C11H13N5- 2 215.1176 1.29
+  216.138 C12H16N4- 1 216.138 -0.42
+  217.0968 C10H11N5O- 1 217.0969 -0.36
+  223.1072 C9H13N5O2- 3 223.1075 -1.18
+  227.0792 C8H11N4O4- 3 227.0786 2.8
+  227.1138 C8H19O7- 2 227.1136 0.85
+  229.0968 C11H11N5O- 1 229.0969 -0.56
+  231.1123 C11H13N5O- 3 231.1126 -1.29
+  234.1235 C10H14N6O- 1 234.1235 0.2
+  235.1187 C9H13N7O- 2 235.1187 -0.08
+  239.1166 C12H17NO4- 2 239.1163 1.38
+  240.1339 C9H16N6O2- 1 240.134 -0.39
+  241.1288 C8H15N7O2- 3 241.1293 -1.85
+  243.1126 C12H13N5O- 1 243.1126 0.05
+  248.139 C11H16N6O- 1 248.1391 -0.25
+  251.1174 C13H17NO4- 3 251.1163 4.34
+  253.1296 C10H21O7- 3 253.1293 1.16
+  254.1499 C10H18N6O2- 2 254.1497 0.9
+  255.1119 C13H13N5O- 4 255.1126 -2.53
+  256.0965 C13H12N4O2- 4 256.0966 -0.38
+  257.1272 C13H15N5O- 3 257.1282 -3.93
+  258.1201 C9H16N5O4- 3 258.1208 -2.48
+  262.1549 C12H18N6O- 2 262.1548 0.5
+  267.1126 C14H13N5O- 3 267.1126 0.27
+  268.144 C14H16N6- 3 268.1442 -0.63
+  274.1189 C12H14N6O2- 3 274.1184 1.83
+  274.1546 C13H18N6O- 3 274.1548 -0.65
+  282.123 C14H14N6O- 3 282.1235 -1.68
+  287.1515 H25N5O12- 4 287.1505 3.58
+  291.1705 CH29N3O13- 4 291.1706 -0.35
+  297.1553 C11H19N7O3- 3 297.1555 -0.7
+  298.1515 C11H24NO8- 3 298.1507 2.48
+  305.161 H27N5O13- 4 305.1611 -0.23
+  311.1721 C14H23N4O4- 3 311.1725 -1.24
+  343.177 CH27N8O12- 5 343.1754 4.79
+  345.1927 C18H25N4O3- 5 345.1932 -1.42
+  362.1832 C17H24N5O4- 4 362.1834 -0.62
+  368.1937 C16H26N5O5- 4 368.1939 -0.61
+  418.2095 C20H28N5O5- 5 418.2096 -0.21
+  472.2563 C24H34N5O5- 5 472.2565 -0.53
+  586.3 C29H46O12- 8 586.2995 0.9
+PK$NUM_PEAK: 110
+PK$PEAK: m/z int. rel.int.
+  73.0394 904251.1 49
+  74.0233 361261.7 19
+  82.0288 182602.4 10
+  83.0237 237833.2 13
+  84.0078 1450980.8 79
+  85.0394 1265714 69
+  86.0599 758871.1 41
+  87.0549 2180638.2 119
+  95.0238 512865.5 28
+  97.0395 238114.1 13
+  99.0186 705564.1 38
+  99.0552 3133192 172
+  100.0391 410474.8 22
+  108.0441 333337.8 18
+  110.0235 267115.5 14
+  111.0185 1239787.5 68
+  111.0549 338716 18
+  112.0267 220142.3 12
+  113.0343 7516640.5 413
+  113.0707 4605476 253
+  114.0546 436983.1 24
+  116.0704 868986.1 47
+  121.0393 1145583 62
+  122.0236 258126.6 14
+  123.0549 870815.8 47
+  124.0391 721925.5 39
+  125.0345 1544441 84
+  125.0705 504327.3 27
+  127.0501 1093373.9 60
+  127.0864 329365.7 18
+  130.0861 9364057 514
+  131.0488 618825.6 34
+  136.0392 869048.8 47
+  138.066 505616.6 27
+  139.0501 2307823.2 126
+  140.0341 584407.4 32
+  141.0659 305198.2 16
+  144.0766 4364971.5 239
+  147.0437 413652 22
+  151.0502 1452064.6 79
+  153.0654 1118349.9 61
+  154.0611 254479.6 13
+  155.1177 1179914.8 64
+  156.077 1218064.5 66
+  160.0756 306581.9 16
+  166.0604 555843.4 30
+  166.0855 288141.1 15
+  169.0483 336939.9 18
+  170.0559 3023452.2 166
+  170.0922 9121786 501
+  177.1018 1292542.8 71
+  178.0858 1083489.2 59
+  182.0561 678369.4 37
+  182.0922 3341428.2 183
+  183.1126 5409671 297
+  184.0714 2087052 114
+  184.1078 605043.6 33
+  187.0867 324038.5 17
+  191.1175 316112.8 17
+  192.1133 290055.2 15
+  199.0863 1183573.6 65
+  200.0702 1085867 59
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+  209.1028 721758 39
+  210.1234 2136011.2 117
+  212.1071 742896.2 40
+  213.1016 944367.9 51
+  215.0819 249602 13
+  215.1179 250773.2 13
+  216.138 2603531.2 143
+  217.0968 11928879 655
+  223.1072 4880139 268
+  227.0792 711569.2 39
+  227.1138 2801603.5 153
+  229.0968 1737569 95
+  231.1123 669931.1 36
+  234.1235 960396.4 52
+  235.1187 8100276.5 445
+  239.1166 621355.5 34
+  240.1339 4499608.5 247
+  241.1288 1323429.5 72
+  243.1126 1617344.1 88
+  248.139 1907688.4 104
+  251.1174 433415.6 23
+  253.1296 1756600.2 96
+  254.1499 616758.7 33
+  255.1119 280263.6 15
+  256.0965 1730096.2 95
+  257.1272 461988.3 25
+  258.1201 337593 18
+  262.1549 576751.1 31
+  267.1126 219550.3 12
+  268.144 955679.5 52
+  274.1189 590210.9 32
+  274.1546 553627.2 30
+  282.123 640763.1 35
+  287.1515 330379.8 18
+  291.1705 3988137 219
+  297.1553 1225200.9 67
+  298.1515 2594553.8 142
+  305.161 18179090 999
+  311.1721 1033749.2 56
+  343.177 1112737 61
+  345.1927 958668.4 52
+  362.1832 5780645.5 317
+  368.1937 1868920.5 102
+  418.2095 1670784.9 91
+  472.2563 578920.9 31
+  586.3 2069253.1 113
+//
diff --git a/Eawag/MSBNK-MLU-ED234456.txt b/Eawag/MSBNK-MLU-ED234456.txt
new file mode 100644
index 0000000000..5d822594fd
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED234456.txt
@@ -0,0 +1,285 @@
+ACCESSION: MSBNK-MLU-ED234456
+RECORD_TITLE: Insulapeptolide H; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], C. Mehner [dtc], G. M. Koenig  [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2344
+CH$NAME: Insulapeptolide H
+CH$NAME: (S)-N-((S)-1-(((1S,2S,5S,8S,11R,12S,15S,18S,21R)-5-benzyl-8-((R)-sec-butyl)-21-hydroxy-2-((R)-1-hydroxyethyl)-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-15-phenethyl-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-hydroxy-1-oxopropan-2-yl)-1-butyrylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C51H72N8O13
+CH$EXACT_MASS: 1004.521884
+CH$SMILES: CCCC(N1[C@H](C(N[C@H](C(N[C@@H]([C@H](OC([C@H]([C@H](C)CC)N2)=O)C)C(N[C@@H](CCC3=CC=CC=C3)C(N[C@@H]4C([N@@]([C@H](C(N(C)[C@H](C2=O)CC5=CC=CC=C5)=O)[C@@H](C)O)[C@H](O)CC4)=O)=O)=O)=O)CO)=O)CCC1)=O
+CH$IUPAC: InChI=1S/C51H72N8O13/c1-7-16-39(62)58-26-15-21-37(58)46(66)54-36(28-60)45(65)56-42-31(5)72-51(71)41(29(3)8-2)55-47(67)38(27-33-19-13-10-14-20-33)57(6)50(70)43(30(4)61)59-40(63)25-24-35(49(59)69)53-44(64)34(52-48(42)68)23-22-32-17-11-9-12-18-32/h9-14,17-20,29-31,34-38,40-43,60-61,63H,7-8,15-16,21-28H2,1-6H3,(H,52,68)(H,53,64)(H,54,66)(H,55,67)(H,56,65)/t29-,30-,31-,34+,35+,36+,37+,38+,40-,41+,42+,43+/m1/s1
+CH$LINK: INCHIKEY KADJXRUDRPKAEU-NBHXZYMHSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 69-1040
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.228 min
+MS$FOCUSED_ION: BASE_PEAK 1003.5142
+MS$FOCUSED_ION: PRECURSOR_M/Z 1003.5146
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 527329731
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03kl-1930000000-02b5266c7ecdabc45ade
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  70.0283 CH2N4- 1 70.0285 -2.46
+  71.0237 HN5- 1 71.0237 -1.19
+  72.0077 N4O- 1 72.0078 -0.75
+  73.0394 H3N5- 1 73.0394 -0.28
+  74.0233 H2N4O- 1 74.0234 -1.1
+  81.0207 C2HN4- 1 81.0207 0.84
+  82.0287 C2H2N4- 1 82.0285 2.61
+  83.0236 CHN5- 1 83.0237 -1.42
+  84.0077 CN4O- 1 84.0078 -0.52
+  85.0394 CH3N5- 1 85.0394 -0.13
+  86.0598 C2H6N4- 1 86.0598 -0.08
+  87.055 CH5N5- 1 87.055 -0.31
+  95.0238 C2HN5- 1 95.0237 0.68
+  96.0076 C2N4O- 1 96.0078 -2.07
+  96.0437 C3H4N4- 1 96.0441 -4.55
+  97.0395 C2H3N5- 1 97.0394 0.62
+  98.0234 C2H2N4O- 1 98.0234 -0.29
+  99.0186 CHN5O- 1 99.0187 -0.44
+  99.0551 C2H5N5- 1 99.055 0.39
+  100.0389 C2H4N4O- 1 100.0391 -1.19
+  108.0439 C4H4N4- 1 108.0441 -2.21
+  109.0391 C3H3N5- 1 109.0394 -2.49
+  110.0232 C3H2N4O- 1 110.0234 -1.59
+  111.0186 C2HN5O- 1 111.0187 -0.21
+  111.0552 C3H5N5- 1 111.055 1.64
+  112.0264 C2H2N5O- 1 112.0265 -1.11
+  112.0388 C3H4N4O- 1 112.0391 -2.29
+  112.0501 C2H4N6- 1 112.0503 -1.84
+  113.0344 C2H3N5O- 1 113.0343 0.39
+  113.0707 C3H7N5- 1 113.0707 0.04
+  114.0548 C3H6N4O- 1 114.0547 1.04
+  115.0498 C2H5N5O- 1 115.05 -1.5
+  116.0704 C3H8N4O- 1 116.0704 0.03
+  120.0445 C5H4N4- 1 120.0441 3.25
+  121.0394 C4H3N5- 1 121.0394 -0.02
+  122.0472 C4H4N5- 1 122.0472 -0.19
+  123.0552 C4H5N5- 1 123.055 1
+  124.0391 C4H4N4O- 1 124.0391 0.01
+  125.0343 C3H3N5O- 1 125.0343 0.23
+  125.0707 C4H7N5- 1 125.0707 -0.32
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+//
diff --git a/Eawag/MSBNK-MLU-ED234457.txt b/Eawag/MSBNK-MLU-ED234457.txt
new file mode 100644
index 0000000000..24101d2b49
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED234457.txt
@@ -0,0 +1,237 @@
+ACCESSION: MSBNK-MLU-ED234457
+RECORD_TITLE: Insulapeptolide H; LC-ESI-QFT; MS2; CE: 60%; R=15000; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], C. Mehner [dtc], G. M. Koenig  [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2344
+CH$NAME: Insulapeptolide H
+CH$NAME: (S)-N-((S)-1-(((1S,2S,5S,8S,11R,12S,15S,18S,21R)-5-benzyl-8-((R)-sec-butyl)-21-hydroxy-2-((R)-1-hydroxyethyl)-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-15-phenethyl-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)amino)-3-hydroxy-1-oxopropan-2-yl)-1-butyrylpyrrolidine-2-carboxamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C51H72N8O13
+CH$EXACT_MASS: 1004.521884
+CH$SMILES: CCCC(N1[C@H](C(N[C@H](C(N[C@@H]([C@H](OC([C@H]([C@H](C)CC)N2)=O)C)C(N[C@@H](CCC3=CC=CC=C3)C(N[C@@H]4C([N@@]([C@H](C(N(C)[C@H](C2=O)CC5=CC=CC=C5)=O)[C@@H](C)O)[C@H](O)CC4)=O)=O)=O)=O)CO)=O)CCC1)=O
+CH$IUPAC: InChI=1S/C51H72N8O13/c1-7-16-39(62)58-26-15-21-37(58)46(66)54-36(28-60)45(65)56-42-31(5)72-51(71)41(29(3)8-2)55-47(67)38(27-33-19-13-10-14-20-33)57(6)50(70)43(30(4)61)59-40(63)25-24-35(49(59)69)53-44(64)34(52-48(42)68)23-22-32-17-11-9-12-18-32/h9-14,17-20,29-31,34-38,40-43,60-61,63H,7-8,15-16,21-28H2,1-6H3,(H,52,68)(H,53,64)(H,54,66)(H,55,67)(H,56,65)/t29-,30-,31-,34+,35+,36+,37+,38+,40-,41+,42+,43+/m1/s1
+CH$LINK: INCHIKEY KADJXRUDRPKAEU-NBHXZYMHSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 69-1040
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 4.228 min
+MS$FOCUSED_ION: BASE_PEAK 1003.5142
+MS$FOCUSED_ION: PRECURSOR_M/Z 1003.5146
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 527329731
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03dr-2910000000-95278767b907f4e01ba7
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
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+  141.1018 258563 18
+  143.1177 276780.1 19
+  144.0766 12153402 870
+  147.0437 275318.4 19
+  150.066 249718.1 17
+  151.0498 231198.6 16
+  152.0815 397734.5 28
+  153.0656 2119777.5 151
+  155.1179 535697.9 38
+  156.0765 781998.7 56
+  160.075 640662.7 45
+  166.0606 286687.1 20
+  166.0979 286773.3 20
+  168.0398 245940.2 17
+  169.0481 277796.2 19
+  169.0968 166485.7 11
+  170.056 1175088.2 84
+  170.0921 8360945.5 599
+  171.0767 202530.1 14
+  174.0913 294313.5 21
+  177.102 1921042 137
+  178.0852 174739.7 12
+  182.0919 902156.8 64
+  183.0637 755464.9 54
+  183.1128 745201.6 53
+  184.0714 363693.6 26
+  184.1077 1177392.1 84
+  187.0864 407148.2 29
+  189.1021 434697.2 31
+  191.1178 647251.9 46
+  199.0864 877889.3 62
+  200.0696 298579.5 21
+  201.0985 1623266.1 116
+  203.0816 309244.7 22
+  210.1231 1276365.2 91
+  213.1016 724738.9 51
+  216.1127 486863.3 34
+  216.1369 337223.7 24
+  217.0967 2883690 206
+  223.1069 170864.5 12
+  227.1145 647726.8 46
+  229.0967 166346.1 11
+  234.1238 566268.1 40
+  235.1186 3900130.2 279
+  239.0788 288903.6 20
+  241.1286 605057.1 43
+  243.1127 509553.2 36
+  248.1388 2632723.8 188
+  262.1549 453753 32
+  274.1186 183754.4 13
+//
diff --git a/Eawag/MSBNK-MLU-ED236451.txt b/Eawag/MSBNK-MLU-ED236451.txt
new file mode 100644
index 0000000000..ee29033152
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED236451.txt
@@ -0,0 +1,47 @@
+ACCESSION: MSBNK-MLU-ED236451
+RECORD_TITLE: Cylindrocyclophane B; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M-H]-
+DATE: 2024.04.30
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], M. Preisitsch [dtc], S. Mundt [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2364
+CH$NAME: Cylindrocyclophane B
+CH$NAME: [(2R,3S,8S,13R,14S,19S)-8,19-dibutyl-10,13,21,24,26-pentahydroxy-3,14-dimethyl-2-tricyclo[18.2.2.29,12]hexacosa-1(22),9,11,20,23,25-hexaenyl] acetate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C38H58O7
+CH$EXACT_MASS: 626.4182542
+CH$SMILES: CCCC[C@H]1CCCC[C@@H]([C@H](C2=CC(=C([C@H](CCCC[C@@H]([C@H](C3=CC(=C1C(=C3)O)O)O)C)CCCC)C(=C2)O)O)OC(=O)C)C
+CH$IUPAC: InChI=1S/C38H58O7/c1-6-8-16-27-19-13-11-15-25(4)38(45-26(5)39)30-22-33(42)36(34(43)23-30)28(17-9-7-2)18-12-10-14-24(3)37(44)29-20-31(40)35(27)32(41)21-29/h20-25,27-28,37-38,40-44H,6-19H2,1-5H3/t24-,25-,27-,28-,37+,38+/m0/s1
+CH$LINK: PUBCHEM CID:21726857
+CH$LINK: INCHIKEY NUTUTERKXLKYNP-KZSBEIIZSA-N
+CH$LINK: CHEMSPIDER 10315885
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-655
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.236 min
+MS$FOCUSED_ION: BASE_PEAK 625.4112
+MS$FOCUSED_ION: PRECURSOR_M/Z 625.411
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 324867895.52
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-004i-0000009000-b1d8a1ae09259dd079b6
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  565.3888 C36H53O5- 1 565.3898 -1.81
+  625.4111 C38H57O7- 1 625.411 0.17
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  565.3888 6588626 49
+  625.4111 133840520 999
+//
diff --git a/Eawag/MSBNK-MLU-ED236452.txt b/Eawag/MSBNK-MLU-ED236452.txt
new file mode 100644
index 0000000000..4305986514
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED236452.txt
@@ -0,0 +1,51 @@
+ACCESSION: MSBNK-MLU-ED236452
+RECORD_TITLE: Cylindrocyclophane B; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M-H]-
+DATE: 2024.04.30
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], M. Preisitsch [dtc], S. Mundt [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2364
+CH$NAME: Cylindrocyclophane B
+CH$NAME: [(2R,3S,8S,13R,14S,19S)-8,19-dibutyl-10,13,21,24,26-pentahydroxy-3,14-dimethyl-2-tricyclo[18.2.2.29,12]hexacosa-1(22),9,11,20,23,25-hexaenyl] acetate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C38H58O7
+CH$EXACT_MASS: 626.4182542
+CH$SMILES: CCCC[C@H]1CCCC[C@@H]([C@H](C2=CC(=C([C@H](CCCC[C@@H]([C@H](C3=CC(=C1C(=C3)O)O)O)C)CCCC)C(=C2)O)O)OC(=O)C)C
+CH$IUPAC: InChI=1S/C38H58O7/c1-6-8-16-27-19-13-11-15-25(4)38(45-26(5)39)30-22-33(42)36(34(43)23-30)28(17-9-7-2)18-12-10-14-24(3)37(44)29-20-31(40)35(27)32(41)21-29/h20-25,27-28,37-38,40-44H,6-19H2,1-5H3/t24-,25-,27-,28-,37+,38+/m0/s1
+CH$LINK: PUBCHEM CID:21726857
+CH$LINK: INCHIKEY NUTUTERKXLKYNP-KZSBEIIZSA-N
+CH$LINK: CHEMSPIDER 10315885
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-655
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.236 min
+MS$FOCUSED_ION: BASE_PEAK 625.4112
+MS$FOCUSED_ION: PRECURSOR_M/Z 625.411
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 324867895.52
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-004i-0000039000-89e5447c9510b9bcb39f
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  537.3951 C35H53O4- 1 537.3949 0.38
+  565.39 C36H53O5- 1 565.3898 0.35
+  607.4013 C38H55O6- 1 607.4004 1.39
+  625.4112 C38H57O7- 1 625.411 0.36
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  537.3951 1906337.9 22
+  565.39 32679550 379
+  607.4013 954780.5 11
+  625.4112 86079808 999
+//
diff --git a/Eawag/MSBNK-MLU-ED236453.txt b/Eawag/MSBNK-MLU-ED236453.txt
new file mode 100644
index 0000000000..40ace8658f
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED236453.txt
@@ -0,0 +1,53 @@
+ACCESSION: MSBNK-MLU-ED236453
+RECORD_TITLE: Cylindrocyclophane B; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M-H]-
+DATE: 2024.04.30
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], M. Preisitsch [dtc], S. Mundt [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2364
+CH$NAME: Cylindrocyclophane B
+CH$NAME: [(2R,3S,8S,13R,14S,19S)-8,19-dibutyl-10,13,21,24,26-pentahydroxy-3,14-dimethyl-2-tricyclo[18.2.2.29,12]hexacosa-1(22),9,11,20,23,25-hexaenyl] acetate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C38H58O7
+CH$EXACT_MASS: 626.4182542
+CH$SMILES: CCCC[C@H]1CCCC[C@@H]([C@H](C2=CC(=C([C@H](CCCC[C@@H]([C@H](C3=CC(=C1C(=C3)O)O)O)C)CCCC)C(=C2)O)O)OC(=O)C)C
+CH$IUPAC: InChI=1S/C38H58O7/c1-6-8-16-27-19-13-11-15-25(4)38(45-26(5)39)30-22-33(42)36(34(43)23-30)28(17-9-7-2)18-12-10-14-24(3)37(44)29-20-31(40)35(27)32(41)21-29/h20-25,27-28,37-38,40-44H,6-19H2,1-5H3/t24-,25-,27-,28-,37+,38+/m0/s1
+CH$LINK: PUBCHEM CID:21726857
+CH$LINK: INCHIKEY NUTUTERKXLKYNP-KZSBEIIZSA-N
+CH$LINK: CHEMSPIDER 10315885
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-655
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.236 min
+MS$FOCUSED_ION: BASE_PEAK 625.4112
+MS$FOCUSED_ION: PRECURSOR_M/Z 625.411
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 324867895.52
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-016r-0000094000-f2df90f3d2418e93c06a
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  537.3951 C35H53O4- 1 537.3949 0.27
+  547.3785 C36H51O4- 1 547.3793 -1.42
+  565.3899 C36H53O5- 1 565.3898 0.14
+  607.4001 C38H55O6- 1 607.4004 -0.52
+  625.4112 C38H57O7- 1 625.411 0.36
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  537.3951 6438703 77
+  547.3785 1129448.9 13
+  565.3899 82932552 999
+  607.4001 2044312.8 24
+  625.4112 42663248 513
+//
diff --git a/Eawag/MSBNK-MLU-ED236454.txt b/Eawag/MSBNK-MLU-ED236454.txt
new file mode 100644
index 0000000000..9bc1a41df0
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED236454.txt
@@ -0,0 +1,55 @@
+ACCESSION: MSBNK-MLU-ED236454
+RECORD_TITLE: Cylindrocyclophane B; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M-H]-
+DATE: 2024.04.30
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], M. Preisitsch [dtc], S. Mundt [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2364
+CH$NAME: Cylindrocyclophane B
+CH$NAME: [(2R,3S,8S,13R,14S,19S)-8,19-dibutyl-10,13,21,24,26-pentahydroxy-3,14-dimethyl-2-tricyclo[18.2.2.29,12]hexacosa-1(22),9,11,20,23,25-hexaenyl] acetate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C38H58O7
+CH$EXACT_MASS: 626.4182542
+CH$SMILES: CCCC[C@H]1CCCC[C@@H]([C@H](C2=CC(=C([C@H](CCCC[C@@H]([C@H](C3=CC(=C1C(=C3)O)O)O)C)CCCC)C(=C2)O)O)OC(=O)C)C
+CH$IUPAC: InChI=1S/C38H58O7/c1-6-8-16-27-19-13-11-15-25(4)38(45-26(5)39)30-22-33(42)36(34(43)23-30)28(17-9-7-2)18-12-10-14-24(3)37(44)29-20-31(40)35(27)32(41)21-29/h20-25,27-28,37-38,40-44H,6-19H2,1-5H3/t24-,25-,27-,28-,37+,38+/m0/s1
+CH$LINK: PUBCHEM CID:21726857
+CH$LINK: INCHIKEY NUTUTERKXLKYNP-KZSBEIIZSA-N
+CH$LINK: CHEMSPIDER 10315885
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-655
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.236 min
+MS$FOCUSED_ION: BASE_PEAK 625.4112
+MS$FOCUSED_ION: PRECURSOR_M/Z 625.411
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 324867895.52
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-014i-0000090000-a7fd87610208ae9be55e
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  521.4004 C35H53O3- 1 521.4 0.68
+  537.3953 C35H53O4- 1 537.3949 0.72
+  547.3802 C36H51O4- 1 547.3793 1.59
+  565.39 C36H53O5- 1 565.3898 0.24
+  607.4013 C38H55O6- 1 607.4004 1.39
+  625.4113 C38H57O7- 1 625.411 0.46
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  521.4004 7325618 71
+  537.3953 12357811 121
+  547.3802 3055071.5 29
+  565.39 101905576 999
+  607.4013 1947993.6 19
+  625.4113 8422687 82
+//
diff --git a/Eawag/MSBNK-MLU-ED236455.txt b/Eawag/MSBNK-MLU-ED236455.txt
new file mode 100644
index 0000000000..5694ffa1b3
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED236455.txt
@@ -0,0 +1,65 @@
+ACCESSION: MSBNK-MLU-ED236455
+RECORD_TITLE: Cylindrocyclophane B; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M-H]-
+DATE: 2024.04.30
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], M. Preisitsch [dtc], S. Mundt [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2364
+CH$NAME: Cylindrocyclophane B
+CH$NAME: [(2R,3S,8S,13R,14S,19S)-8,19-dibutyl-10,13,21,24,26-pentahydroxy-3,14-dimethyl-2-tricyclo[18.2.2.29,12]hexacosa-1(22),9,11,20,23,25-hexaenyl] acetate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C38H58O7
+CH$EXACT_MASS: 626.4182542
+CH$SMILES: CCCC[C@H]1CCCC[C@@H]([C@H](C2=CC(=C([C@H](CCCC[C@@H]([C@H](C3=CC(=C1C(=C3)O)O)O)C)CCCC)C(=C2)O)O)OC(=O)C)C
+CH$IUPAC: InChI=1S/C38H58O7/c1-6-8-16-27-19-13-11-15-25(4)38(45-26(5)39)30-22-33(42)36(34(43)23-30)28(17-9-7-2)18-12-10-14-24(3)37(44)29-20-31(40)35(27)32(41)21-29/h20-25,27-28,37-38,40-44H,6-19H2,1-5H3/t24-,25-,27-,28-,37+,38+/m0/s1
+CH$LINK: PUBCHEM CID:21726857
+CH$LINK: INCHIKEY NUTUTERKXLKYNP-KZSBEIIZSA-N
+CH$LINK: CHEMSPIDER 10315885
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-655
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 7.236 min
+MS$FOCUSED_ION: BASE_PEAK 625.4112
+MS$FOCUSED_ION: PRECURSOR_M/Z 625.411
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 324867895.52
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-01b9-0000090000-50264786c6d6c8011658
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  273.1859 C18H25O2- 1 273.186 -0.49
+  289.2175 C19H29O2- 1 289.2173 0.73
+  331.2273 C21H31O3- 1 331.2279 -1.61
+  399.2901 C26H39O3- 1 399.2905 -0.8
+  519.3846 C35H51O3- 1 519.3844 0.51
+  521.4002 C35H53O3- 1 521.4 0.33
+  523.3814 C34H51O4- 1 523.3793 4.02
+  537.3951 C35H53O4- 1 537.3949 0.27
+  547.3794 C36H51O4- 1 547.3793 0.14
+  565.3898 C36H53O5- 1 565.3898 -0.08
+  607.4 C38H55O6- 1 607.4004 -0.72
+PK$NUM_PEAK: 11
+PK$PEAK: m/z int. rel.int.
+  273.1859 499871.3 10
+  289.2175 806367.7 16
+  331.2273 1235619.9 25
+  399.2901 1067113.2 22
+  519.3846 780887.6 16
+  521.4002 27453840 572
+  523.3814 1188013.2 24
+  537.3951 15499448 323
+  547.3794 4840525.5 100
+  565.3898 47880852 999
+  607.4 568082.4 11
+//
diff --git a/Eawag/MSBNK-MLU-ED236551.txt b/Eawag/MSBNK-MLU-ED236551.txt
new file mode 100644
index 0000000000..0e48e70911
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED236551.txt
@@ -0,0 +1,49 @@
+ACCESSION: MSBNK-MLU-ED236551
+RECORD_TITLE: Cylindrocyclophane D; LC-ESI-QFT; MS2; CE: 15%; R=15000; [M-H]-
+DATE: 2024.04.30
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], M. Preisitsch [dtc], S. Mundt [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2365
+CH$NAME: Cylindrocyclophane D
+CH$NAME: [(2R,3S,8S,13R,14S,19S)-13-acetyloxy-8,19-dibutyl-10,21,24,26-tetrahydroxy-3,14-dimethyl-2-tricyclo[18.2.2.29,12]hexacosa-1(22),9,11,20,23,25-hexaenyl] acetate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C40H60O8
+CH$EXACT_MASS: 668.4288189
+CH$SMILES: CCCC[C@H]1CCCC[C@@H]([C@H](C2=CC(=C([C@H](CCCC[C@@H]([C@H](C3=CC(=C1C(=C3)O)O)OC(=O)C)C)CCCC)C(=C2)O)O)OC(=O)C)C
+CH$IUPAC: InChI=1S/C40H60O8/c1-7-9-17-29-19-13-11-15-25(3)40(48-28(6)42)32-23-35(45)38(36(46)24-32)30(18-10-8-2)20-14-12-16-26(4)39(47-27(5)41)31-21-33(43)37(29)34(44)22-31/h21-26,29-30,39-40,43-46H,7-20H2,1-6H3/t25-,26-,29-,30-,39+,40+/m0/s1
+CH$LINK: PUBCHEM CID:10258912
+CH$LINK: INCHIKEY ISFVAVZOVOHZSB-IUWWWGALSA-N
+CH$LINK: CHEMSPIDER 8434395
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-700
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.740 min
+MS$FOCUSED_ION: BASE_PEAK 667.4216
+MS$FOCUSED_ION: PRECURSOR_M/Z 667.4215
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 497638793.74
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-014i-0000009000-970fb274fc00aebaceaa
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  547.3782 C36H51O4- 1 547.3793 -1.97
+  607.401 C38H55O6- 1 607.4004 0.89
+  667.4219 C40H59O8- 1 667.4215 0.52
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  547.3782 9880678 43
+  607.401 11529596 51
+  667.4219 224553104 999
+//
diff --git a/Eawag/MSBNK-MLU-ED236552.txt b/Eawag/MSBNK-MLU-ED236552.txt
new file mode 100644
index 0000000000..90a9395fcb
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED236552.txt
@@ -0,0 +1,55 @@
+ACCESSION: MSBNK-MLU-ED236552
+RECORD_TITLE: Cylindrocyclophane D; LC-ESI-QFT; MS2; CE: 20%; R=15000; [M-H]-
+DATE: 2024.04.30
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], M. Preisitsch [dtc], S. Mundt [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2365
+CH$NAME: Cylindrocyclophane D
+CH$NAME: [(2R,3S,8S,13R,14S,19S)-13-acetyloxy-8,19-dibutyl-10,21,24,26-tetrahydroxy-3,14-dimethyl-2-tricyclo[18.2.2.29,12]hexacosa-1(22),9,11,20,23,25-hexaenyl] acetate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C40H60O8
+CH$EXACT_MASS: 668.4288189
+CH$SMILES: CCCC[C@H]1CCCC[C@@H]([C@H](C2=CC(=C([C@H](CCCC[C@@H]([C@H](C3=CC(=C1C(=C3)O)O)OC(=O)C)C)CCCC)C(=C2)O)O)OC(=O)C)C
+CH$IUPAC: InChI=1S/C40H60O8/c1-7-9-17-29-19-13-11-15-25(3)40(48-28(6)42)32-23-35(45)38(36(46)24-32)30(18-10-8-2)20-14-12-16-26(4)39(47-27(5)41)31-21-33(43)37(29)34(44)22-31/h21-26,29-30,39-40,43-46H,7-20H2,1-6H3/t25-,26-,29-,30-,39+,40+/m0/s1
+CH$LINK: PUBCHEM CID:10258912
+CH$LINK: INCHIKEY ISFVAVZOVOHZSB-IUWWWGALSA-N
+CH$LINK: CHEMSPIDER 8434395
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-700
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.740 min
+MS$FOCUSED_ION: BASE_PEAK 667.4216
+MS$FOCUSED_ION: PRECURSOR_M/Z 667.4215
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 497638793.74
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-014j-0000039000-dd69cc6e8f3bb6a6c891
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  519.3834 C35H51O3- 1 519.3844 -1.96
+  547.3791 C36H51O4- 1 547.3793 -0.41
+  579.4067 C37H55O5- 1 579.4055 2.12
+  607.4007 C38H55O6- 1 607.4004 0.48
+  649.4121 C40H57O7- 1 649.411 1.74
+  667.422 C40H59O8- 1 667.4215 0.61
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  519.3834 2059253.5 21
+  547.3791 48396012 511
+  579.4067 1391949.9 14
+  607.4007 28386374 300
+  649.4121 2076320.9 21
+  667.422 94432784 999
+//
diff --git a/Eawag/MSBNK-MLU-ED236553.txt b/Eawag/MSBNK-MLU-ED236553.txt
new file mode 100644
index 0000000000..24d19a7665
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED236553.txt
@@ -0,0 +1,59 @@
+ACCESSION: MSBNK-MLU-ED236553
+RECORD_TITLE: Cylindrocyclophane D; LC-ESI-QFT; MS2; CE: 25%; R=15000; [M-H]-
+DATE: 2024.04.30
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], M. Preisitsch [dtc], S. Mundt [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2365
+CH$NAME: Cylindrocyclophane D
+CH$NAME: [(2R,3S,8S,13R,14S,19S)-13-acetyloxy-8,19-dibutyl-10,21,24,26-tetrahydroxy-3,14-dimethyl-2-tricyclo[18.2.2.29,12]hexacosa-1(22),9,11,20,23,25-hexaenyl] acetate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C40H60O8
+CH$EXACT_MASS: 668.4288189
+CH$SMILES: CCCC[C@H]1CCCC[C@@H]([C@H](C2=CC(=C([C@H](CCCC[C@@H]([C@H](C3=CC(=C1C(=C3)O)O)OC(=O)C)C)CCCC)C(=C2)O)O)OC(=O)C)C
+CH$IUPAC: InChI=1S/C40H60O8/c1-7-9-17-29-19-13-11-15-25(3)40(48-28(6)42)32-23-35(45)38(36(46)24-32)30(18-10-8-2)20-14-12-16-26(4)39(47-27(5)41)31-21-33(43)37(29)34(44)22-31/h21-26,29-30,39-40,43-46H,7-20H2,1-6H3/t25-,26-,29-,30-,39+,40+/m0/s1
+CH$LINK: PUBCHEM CID:10258912
+CH$LINK: INCHIKEY ISFVAVZOVOHZSB-IUWWWGALSA-N
+CH$LINK: CHEMSPIDER 8434395
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-700
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.740 min
+MS$FOCUSED_ION: BASE_PEAK 667.4216
+MS$FOCUSED_ION: PRECURSOR_M/Z 667.4215
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 497638793.74
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0002-0000093000-928b705c0adb4c3e84c9
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  503.39 C35H51O2- 1 503.3895 1.05
+  519.3843 C35H51O3- 1 519.3844 -0.19
+  547.3795 C36H51O4- 1 547.3793 0.48
+  579.4051 C37H55O5- 1 579.4055 -0.62
+  589.3902 C38H53O5- 1 589.3898 0.62
+  607.4009 C38H55O6- 1 607.4004 0.79
+  649.411 C40H57O7- 1 649.411 -0.04
+  667.4224 C40H59O8- 1 667.4215 1.35
+PK$NUM_PEAK: 8
+PK$PEAK: m/z int. rel.int.
+  503.39 4014422.8 33
+  519.3843 10574667 88
+  547.3795 120018640 999
+  579.4051 2351960 19
+  589.3902 2137224.8 17
+  607.4009 26810290 223
+  649.411 2312959 19
+  667.4224 27743578 230
+//
diff --git a/Eawag/MSBNK-MLU-ED236554.txt b/Eawag/MSBNK-MLU-ED236554.txt
new file mode 100644
index 0000000000..11dd5c9d0d
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED236554.txt
@@ -0,0 +1,59 @@
+ACCESSION: MSBNK-MLU-ED236554
+RECORD_TITLE: Cylindrocyclophane D; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M-H]-
+DATE: 2024.04.30
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], M. Preisitsch [dtc], S. Mundt [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2365
+CH$NAME: Cylindrocyclophane D
+CH$NAME: [(2R,3S,8S,13R,14S,19S)-13-acetyloxy-8,19-dibutyl-10,21,24,26-tetrahydroxy-3,14-dimethyl-2-tricyclo[18.2.2.29,12]hexacosa-1(22),9,11,20,23,25-hexaenyl] acetate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C40H60O8
+CH$EXACT_MASS: 668.4288189
+CH$SMILES: CCCC[C@H]1CCCC[C@@H]([C@H](C2=CC(=C([C@H](CCCC[C@@H]([C@H](C3=CC(=C1C(=C3)O)O)OC(=O)C)C)CCCC)C(=C2)O)O)OC(=O)C)C
+CH$IUPAC: InChI=1S/C40H60O8/c1-7-9-17-29-19-13-11-15-25(3)40(48-28(6)42)32-23-35(45)38(36(46)24-32)30(18-10-8-2)20-14-12-16-26(4)39(47-27(5)41)31-21-33(43)37(29)34(44)22-31/h21-26,29-30,39-40,43-46H,7-20H2,1-6H3/t25-,26-,29-,30-,39+,40+/m0/s1
+CH$LINK: PUBCHEM CID:10258912
+CH$LINK: INCHIKEY ISFVAVZOVOHZSB-IUWWWGALSA-N
+CH$LINK: CHEMSPIDER 8434395
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-700
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.740 min
+MS$FOCUSED_ION: BASE_PEAK 667.4216
+MS$FOCUSED_ION: PRECURSOR_M/Z 667.4215
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 497638793.74
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0002-0000090000-3950565acfa4678b2389
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  503.3897 C35H51O2- 1 503.3895 0.44
+  519.3845 C35H51O3- 1 519.3844 0.28
+  529.3693 C36H49O3- 1 529.3687 1.19
+  547.3795 C36H51O4- 1 547.3793 0.37
+  565.39 C36H53O5- 1 565.3898 0.35
+  589.3906 C38H53O5- 1 589.3898 1.34
+  607.401 C38H55O6- 1 607.4004 0.89
+  667.4234 C40H59O8- 1 667.4215 2.72
+PK$NUM_PEAK: 8
+PK$PEAK: m/z int. rel.int.
+  503.3897 11862404 81
+  519.3845 26321706 180
+  529.3693 4345482 29
+  547.3795 145600864 999
+  565.39 1710749.4 11
+  589.3906 3589353.5 24
+  607.401 9502783 65
+  667.4234 2842193.5 19
+//
diff --git a/Eawag/MSBNK-MLU-ED236555.txt b/Eawag/MSBNK-MLU-ED236555.txt
new file mode 100644
index 0000000000..4d3c30dea7
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED236555.txt
@@ -0,0 +1,59 @@
+ACCESSION: MSBNK-MLU-ED236555
+RECORD_TITLE: Cylindrocyclophane D; LC-ESI-QFT; MS2; CE: 40%; R=15000; [M-H]-
+DATE: 2024.04.30
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], M. Preisitsch [dtc], S. Mundt [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2365
+CH$NAME: Cylindrocyclophane D
+CH$NAME: [(2R,3S,8S,13R,14S,19S)-13-acetyloxy-8,19-dibutyl-10,21,24,26-tetrahydroxy-3,14-dimethyl-2-tricyclo[18.2.2.29,12]hexacosa-1(22),9,11,20,23,25-hexaenyl] acetate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C40H60O8
+CH$EXACT_MASS: 668.4288189
+CH$SMILES: CCCC[C@H]1CCCC[C@@H]([C@H](C2=CC(=C([C@H](CCCC[C@@H]([C@H](C3=CC(=C1C(=C3)O)O)OC(=O)C)C)CCCC)C(=C2)O)O)OC(=O)C)C
+CH$IUPAC: InChI=1S/C40H60O8/c1-7-9-17-29-19-13-11-15-25(3)40(48-28(6)42)32-23-35(45)38(36(46)24-32)30(18-10-8-2)20-14-12-16-26(4)39(47-27(5)41)31-21-33(43)37(29)34(44)22-31/h21-26,29-30,39-40,43-46H,7-20H2,1-6H3/t25-,26-,29-,30-,39+,40+/m0/s1
+CH$LINK: PUBCHEM CID:10258912
+CH$LINK: INCHIKEY ISFVAVZOVOHZSB-IUWWWGALSA-N
+CH$LINK: CHEMSPIDER 8434395
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-700
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.740 min
+MS$FOCUSED_ION: BASE_PEAK 667.4216
+MS$FOCUSED_ION: PRECURSOR_M/Z 667.4215
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 497638793.74
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0002-0000090000-4a64400b5bb32dbc451c
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  273.1868 C18H25O2- 1 273.186 2.86
+  394.2142 C25H30O4- 1 394.215 -2
+  459.4015 C34H51- 1 459.3996 4.16
+  503.3898 C35H51O2- 1 503.3895 0.63
+  519.3844 C35H51O3- 1 519.3844 0.04
+  529.3686 C36H49O3- 1 529.3687 -0.2
+  547.3795 C36H51O4- 1 547.3793 0.37
+  589.3909 C38H53O5- 1 589.3898 1.86
+PK$NUM_PEAK: 8
+PK$PEAK: m/z int. rel.int.
+  273.1868 1298982.8 18
+  394.2142 1267422 17
+  459.4015 761142.2 10
+  503.3898 20300200 286
+  519.3844 30639212 432
+  529.3686 3719052.5 52
+  547.3795 70722928 999
+  589.3909 1331852.9 18
+//
diff --git a/Eawag/MSBNK-MLU-ED236556.txt b/Eawag/MSBNK-MLU-ED236556.txt
new file mode 100644
index 0000000000..1262c2705c
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED236556.txt
@@ -0,0 +1,89 @@
+ACCESSION: MSBNK-MLU-ED236556
+RECORD_TITLE: Cylindrocyclophane D; LC-ESI-QFT; MS2; CE: 50%; R=15000; [M-H]-
+DATE: 2024.04.30
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], M. Preisitsch [dtc], S. Mundt [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2365
+CH$NAME: Cylindrocyclophane D
+CH$NAME: [(2R,3S,8S,13R,14S,19S)-13-acetyloxy-8,19-dibutyl-10,21,24,26-tetrahydroxy-3,14-dimethyl-2-tricyclo[18.2.2.29,12]hexacosa-1(22),9,11,20,23,25-hexaenyl] acetate
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C40H60O8
+CH$EXACT_MASS: 668.4288189
+CH$SMILES: CCCC[C@H]1CCCC[C@@H]([C@H](C2=CC(=C([C@H](CCCC[C@@H]([C@H](C3=CC(=C1C(=C3)O)O)OC(=O)C)C)CCCC)C(=C2)O)O)OC(=O)C)C
+CH$IUPAC: InChI=1S/C40H60O8/c1-7-9-17-29-19-13-11-15-25(3)40(48-28(6)42)32-23-35(45)38(36(46)24-32)30(18-10-8-2)20-14-12-16-26(4)39(47-27(5)41)31-21-33(43)37(29)34(44)22-31/h21-26,29-30,39-40,43-46H,7-20H2,1-6H3/t25-,26-,29-,30-,39+,40+/m0/s1
+CH$LINK: PUBCHEM CID:10258912
+CH$LINK: INCHIKEY ISFVAVZOVOHZSB-IUWWWGALSA-N
+CH$LINK: CHEMSPIDER 8434395
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-700
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.740 min
+MS$FOCUSED_ION: BASE_PEAK 667.4216
+MS$FOCUSED_ION: PRECURSOR_M/Z 667.4215
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 497638793.74
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0gba-0120090000-6e44db12cada567cad89
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  135.0811 C9H11O- 1 135.0815 -2.9
+  137.0966 C9H13O- 1 137.0972 -4.66
+  147.0813 C10H11O- 1 147.0815 -1.51
+  149.097 C10H13O- 1 149.0972 -1.46
+  161.0603 C10H9O2- 1 161.0608 -3.36
+  161.0968 C11H13O- 1 161.0972 -2.19
+  163.113 C11H15O- 1 163.1128 1.1
+  173.0607 C11H9O2- 1 173.0608 -0.87
+  201.0921 C13H13O2- 1 201.0921 -0.17
+  203.108 C13H15O2- 1 203.1078 1.27
+  205.1229 C13H17O2- 1 205.1234 -2.24
+  215.1078 C14H15O2- 1 215.1078 0.41
+  229.1241 C15H17O2- 1 229.1234 2.88
+  231.1753 C16H23O- 1 231.1754 -0.58
+  273.1861 C18H25O2- 1 273.186 0.29
+  291.197 C18H27O3- 1 291.1966 1.5
+  299.2023 C20H27O2- 1 299.2017 2.28
+  313.2176 C21H29O2- 1 313.2173 0.83
+  394.215 C25H30O4- 1 394.215 0.01
+  475.3967 C34H51O- 1 475.3945 4.59
+  503.3898 C35H51O2- 1 503.3895 0.69
+  519.3847 C35H51O3- 1 519.3844 0.63
+  547.3799 C36H51O4- 1 547.3793 1.15
+PK$NUM_PEAK: 23
+PK$PEAK: m/z int. rel.int.
+  135.0811 968684.2 90
+  137.0966 360723.8 33
+  147.0813 434035.4 40
+  149.097 285170.8 26
+  161.0603 127624.8 11
+  161.0968 1120185.5 104
+  163.113 438812.1 41
+  173.0607 380200.4 35
+  201.0921 263497 24
+  203.108 289347 27
+  205.1229 183151.7 17
+  215.1078 254915.2 23
+  229.1241 157916.3 14
+  231.1753 1682488.1 157
+  273.1861 2546256 238
+  291.197 982144.1 91
+  299.2023 355895.5 33
+  313.2176 169697.7 15
+  394.215 583780.1 54
+  475.3967 1070279.2 100
+  503.3898 8050719.5 754
+  519.3847 10666034 999
+  547.3799 10295867 964
+//
diff --git a/Eawag/MSBNK-MLU-ED236701.txt b/Eawag/MSBNK-MLU-ED236701.txt
new file mode 100644
index 0000000000..f914871417
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED236701.txt
@@ -0,0 +1,46 @@
+ACCESSION: MSBNK-MLU-ED236701
+RECORD_TITLE: Nostolactone 4; LC-ESI-QFT; MS2; CE: 15%; R=17500; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], R. Kossack [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2367
+CH$NAME: Nostolactone 4
+CH$NAME: 3-[(2,4-dihydroxyphenyl)methyl]-6-(4-hydroxyphenyl)-4-[(4-hydroxyphenyl)methyl]pyran-2-one
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C25H20O6
+CH$EXACT_MASS: 416.1259884
+CH$SMILES: C1=CC(=CC=C1CC2=C(C(=O)OC(=C2)C3=CC=C(C=C3)O)CC4=C(C=C(C=C4)O)O)O
+CH$IUPAC: InChI=1S/C25H20O6/c26-19-6-1-15(2-7-19)11-18-13-24(16-3-8-20(27)9-4-16)31-25(30)22(18)12-17-5-10-21(28)14-23(17)29/h1-10,13-14,26-29H,11-12H2
+CH$LINK: PUBCHEM CID:156013417
+CH$LINK: INCHIKEY ALOKGBOHBCZWBY-UHFFFAOYSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-445
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.534 min
+MS$FOCUSED_ION: BASE_PEAK 417.1334
+MS$FOCUSED_ION: PRECURSOR_M/Z 417.1333
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 344268784.01
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0a4i-0019000000-558e4a39e9038744f30a
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  213.0548 C13H9O3+ 1 213.0546 0.71
+  307.0966 C19H15O4+ 1 307.0965 0.46
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  213.0548 17965198 111
+  307.0966 160952752 999
+//
diff --git a/Eawag/MSBNK-MLU-ED236702.txt b/Eawag/MSBNK-MLU-ED236702.txt
new file mode 100644
index 0000000000..560f89f780
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED236702.txt
@@ -0,0 +1,54 @@
+ACCESSION: MSBNK-MLU-ED236702
+RECORD_TITLE: Nostolactone 4; LC-ESI-QFT; MS2; CE: 20%; R=17500; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], R. Kossack [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2367
+CH$NAME: Nostolactone 4
+CH$NAME: 3-[(2,4-dihydroxyphenyl)methyl]-6-(4-hydroxyphenyl)-4-[(4-hydroxyphenyl)methyl]pyran-2-one
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C25H20O6
+CH$EXACT_MASS: 416.1259884
+CH$SMILES: C1=CC(=CC=C1CC2=C(C(=O)OC(=C2)C3=CC=C(C=C3)O)CC4=C(C=C(C=C4)O)O)O
+CH$IUPAC: InChI=1S/C25H20O6/c26-19-6-1-15(2-7-19)11-18-13-24(16-3-8-20(27)9-4-16)31-25(30)22(18)12-17-5-10-21(28)14-23(17)29/h1-10,13-14,26-29H,11-12H2
+CH$LINK: PUBCHEM CID:156013417
+CH$LINK: INCHIKEY ALOKGBOHBCZWBY-UHFFFAOYSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-445
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.534 min
+MS$FOCUSED_ION: BASE_PEAK 417.1334
+MS$FOCUSED_ION: PRECURSOR_M/Z 417.1333
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 344268784.01
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0a4i-0049000000-70681a729a45f0c5802c
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  121.0284 C7H5O2+ 1 121.0284 0.08
+  185.0596 C12H9O2+ 1 185.0597 -0.43
+  213.0547 C13H9O3+ 1 213.0546 0.35
+  261.0911 C18H13O2+ 1 261.091 0.5
+  279.1016 C18H15O3+ 1 279.1016 -0.01
+  307.0966 C19H15O4+ 1 307.0965 0.26
+PK$NUM_PEAK: 6
+PK$PEAK: m/z int. rel.int.
+  121.0284 9013157 68
+  185.0596 3862205.8 29
+  213.0547 55452328 420
+  261.0911 4733390 35
+  279.1016 3189832 24
+  307.0966 131622312 999
+//
diff --git a/Eawag/MSBNK-MLU-ED236703.txt b/Eawag/MSBNK-MLU-ED236703.txt
new file mode 100644
index 0000000000..49133ba66b
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED236703.txt
@@ -0,0 +1,62 @@
+ACCESSION: MSBNK-MLU-ED236703
+RECORD_TITLE: Nostolactone 4; LC-ESI-QFT; MS2; CE: 25%; R=17500; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], R. Kossack [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2367
+CH$NAME: Nostolactone 4
+CH$NAME: 3-[(2,4-dihydroxyphenyl)methyl]-6-(4-hydroxyphenyl)-4-[(4-hydroxyphenyl)methyl]pyran-2-one
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C25H20O6
+CH$EXACT_MASS: 416.1259884
+CH$SMILES: C1=CC(=CC=C1CC2=C(C(=O)OC(=C2)C3=CC=C(C=C3)O)CC4=C(C=C(C=C4)O)O)O
+CH$IUPAC: InChI=1S/C25H20O6/c26-19-6-1-15(2-7-19)11-18-13-24(16-3-8-20(27)9-4-16)31-25(30)22(18)12-17-5-10-21(28)14-23(17)29/h1-10,13-14,26-29H,11-12H2
+CH$LINK: PUBCHEM CID:156013417
+CH$LINK: INCHIKEY ALOKGBOHBCZWBY-UHFFFAOYSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-445
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.534 min
+MS$FOCUSED_ION: BASE_PEAK 417.1334
+MS$FOCUSED_ION: PRECURSOR_M/Z 417.1333
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 344268784.01
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-08fr-0295000000-ca40040c265c832ea023
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  107.0491 C7H7O+ 1 107.0491 -0.09
+  147.044 C9H7O2+ 1 147.0441 -0.45
+  169.0648 C12H9O+ 1 169.0648 -0.06
+  185.0598 C12H9O2+ 1 185.0597 0.31
+  201.0543 C12H9O3+ 1 201.0546 -1.36
+  213.0547 C13H9O3+ 1 213.0546 0.35
+  251.1069 C17H15O2+ 1 251.1067 0.83
+  261.0911 C18H13O2+ 1 261.091 0.38
+  279.1017 C18H15O3+ 1 279.1016 0.54
+  307.0967 C19H15O4+ 1 307.0965 0.56
+PK$NUM_PEAK: 10
+PK$PEAK: m/z int. rel.int.
+  107.0491 10831563 114
+  147.044 1916930.8 20
+  169.0648 3377526 35
+  185.0598 18147138 192
+  201.0543 1462791.8 15
+  213.0547 94372608 999
+  251.1069 2626253.8 27
+  261.0911 14181558 150
+  279.1017 5937765 62
+  307.0967 72973152 772
+//
diff --git a/Eawag/MSBNK-MLU-ED236704.txt b/Eawag/MSBNK-MLU-ED236704.txt
new file mode 100644
index 0000000000..4ee769cd9c
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED236704.txt
@@ -0,0 +1,92 @@
+ACCESSION: MSBNK-MLU-ED236704
+RECORD_TITLE: Nostolactone 4; LC-ESI-QFT; MS2; CE: 30%; R=17500; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], R. Kossack [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2367
+CH$NAME: Nostolactone 4
+CH$NAME: 3-[(2,4-dihydroxyphenyl)methyl]-6-(4-hydroxyphenyl)-4-[(4-hydroxyphenyl)methyl]pyran-2-one
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C25H20O6
+CH$EXACT_MASS: 416.1259884
+CH$SMILES: C1=CC(=CC=C1CC2=C(C(=O)OC(=C2)C3=CC=C(C=C3)O)CC4=C(C=C(C=C4)O)O)O
+CH$IUPAC: InChI=1S/C25H20O6/c26-19-6-1-15(2-7-19)11-18-13-24(16-3-8-20(27)9-4-16)31-25(30)22(18)12-17-5-10-21(28)14-23(17)29/h1-10,13-14,26-29H,11-12H2
+CH$LINK: PUBCHEM CID:156013417
+CH$LINK: INCHIKEY ALOKGBOHBCZWBY-UHFFFAOYSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-445
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.534 min
+MS$FOCUSED_ION: BASE_PEAK 417.1334
+MS$FOCUSED_ION: PRECURSOR_M/Z 417.1333
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 344268784.01
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03di-0791000000-28d682e66ed4baab2532
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  107.0492 C7H7O+ 1 107.0491 0.48
+  119.0492 C8H7O+ 1 119.0491 0.64
+  121.0284 C7H5O2+ 1 121.0284 0.34
+  123.0441 C7H7O2+ 1 123.0441 -0.04
+  131.049 C9H7O+ 1 131.0491 -0.93
+  135.0442 C8H7O2+ 1 135.0441 1.08
+  145.0647 C10H9O+ 1 145.0648 -0.76
+  147.0442 C9H7O2+ 1 147.0441 0.69
+  157.0647 C11H9O+ 1 157.0648 -0.41
+  159.0439 C10H7O2+ 1 159.0441 -0.94
+  169.0647 C12H9O+ 1 169.0648 -0.24
+  173.0598 C11H9O2+ 1 173.0597 0.49
+  185.0597 C12H9O2+ 1 185.0597 0.15
+  201.0547 C12H9O3+ 1 201.0546 0.23
+  213.0547 C13H9O3+ 1 213.0546 0.2
+  233.0961 C17H13O+ 1 233.0961 -0.01
+  243.0808 C18H11O+ 1 243.0804 1.31
+  245.0961 C18H13O+ 1 245.0961 0.23
+  248.0832 C17H12O2+ 1 248.0832 0.21
+  251.1067 C17H15O2+ 1 251.1067 -0.02
+  261.0911 C18H13O2+ 1 261.091 0.38
+  263.1064 C18H15O2+ 1 263.1067 -0.85
+  279.1015 C18H15O3+ 1 279.1016 -0.23
+  289.0864 C19H13O3+ 1 289.0859 1.75
+  307.0966 C19H15O4+ 1 307.0965 0.36
+PK$NUM_PEAK: 25
+PK$PEAK: m/z int. rel.int.
+  107.0492 20559908 228
+  119.0492 1833520.4 20
+  121.0284 27495240 305
+  123.0441 1333635.5 14
+  131.049 1969095.1 21
+  135.0442 1739623.8 19
+  145.0647 2150005.2 23
+  147.0442 2042886.8 22
+  157.0647 1945786.1 21
+  159.0439 1801639.5 19
+  169.0647 5075067 56
+  173.0598 2313994.2 25
+  185.0597 38517256 427
+  201.0547 1981677.6 21
+  213.0547 90051152 999
+  233.0961 2576215.2 28
+  243.0808 977726.3 10
+  245.0961 1756262.2 19
+  248.0832 1465238.1 16
+  251.1067 4183217.5 46
+  261.0911 19263340 213
+  263.1064 2074597.9 23
+  279.1015 5824753 64
+  289.0864 2554808.2 28
+  307.0966 28653636 317
+//
diff --git a/Eawag/MSBNK-MLU-ED236705.txt b/Eawag/MSBNK-MLU-ED236705.txt
new file mode 100644
index 0000000000..fc455acf48
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED236705.txt
@@ -0,0 +1,90 @@
+ACCESSION: MSBNK-MLU-ED236705
+RECORD_TITLE: Nostolactone 4; LC-ESI-QFT; MS2; CE: 40%; R=17500; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], R. Kossack [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2367
+CH$NAME: Nostolactone 4
+CH$NAME: 3-[(2,4-dihydroxyphenyl)methyl]-6-(4-hydroxyphenyl)-4-[(4-hydroxyphenyl)methyl]pyran-2-one
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C25H20O6
+CH$EXACT_MASS: 416.1259884
+CH$SMILES: C1=CC(=CC=C1CC2=C(C(=O)OC(=C2)C3=CC=C(C=C3)O)CC4=C(C=C(C=C4)O)O)O
+CH$IUPAC: InChI=1S/C25H20O6/c26-19-6-1-15(2-7-19)11-18-13-24(16-3-8-20(27)9-4-16)31-25(30)22(18)12-17-5-10-21(28)14-23(17)29/h1-10,13-14,26-29H,11-12H2
+CH$LINK: PUBCHEM CID:156013417
+CH$LINK: INCHIKEY ALOKGBOHBCZWBY-UHFFFAOYSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-445
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.534 min
+MS$FOCUSED_ION: BASE_PEAK 417.1334
+MS$FOCUSED_ION: PRECURSOR_M/Z 417.1333
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 344268784.01
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-06ri-0930000000-c083963caaa3db8ed8f8
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  91.0542 C7H7+ 1 91.0542 0.25
+  107.0492 C7H7O+ 1 107.0491 0.76
+  119.0492 C8H7O+ 1 119.0491 0.26
+  121.0285 C7H5O2+ 1 121.0284 0.65
+  123.0441 C7H7O2+ 1 123.0441 0.64
+  131.0492 C9H7O+ 1 131.0491 0.35
+  135.0441 C8H7O2+ 1 135.0441 0.17
+  145.0648 C10H9O+ 1 145.0648 -0.03
+  147.0439 C9H7O2+ 1 147.0441 -0.87
+  157.0649 C11H9O+ 1 157.0648 0.46
+  159.0442 C10H7O2+ 1 159.0441 0.69
+  169.0648 C12H9O+ 1 169.0648 0.21
+  171.0442 C11H7O2+ 1 171.0441 0.6
+  173.0597 C11H9O2+ 1 173.0597 0.14
+  185.0598 C12H9O2+ 1 185.0597 0.48
+  201.0547 C12H9O3+ 1 201.0546 0.61
+  213.0547 C13H9O3+ 1 213.0546 0.49
+  233.0965 C17H13O+ 1 233.0961 1.63
+  243.0801 C18H11O+ 1 243.0804 -1.26
+  245.096 C18H13O+ 1 245.0961 -0.33
+  247.0754 C17H11O2+ 1 247.0754 0.31
+  261.0911 C18H13O2+ 1 261.091 0.5
+  279.1019 C18H15O3+ 1 279.1016 1.08
+  307.0965 C19H15O4+ 1 307.0965 0.06
+PK$NUM_PEAK: 24
+PK$PEAK: m/z int. rel.int.
+  91.0542 906300.2 15
+  107.0492 33265402 558
+  119.0492 3151838.5 52
+  121.0285 28142268 472
+  123.0441 1412939.1 23
+  131.0492 4374771 73
+  135.0441 2595256.8 43
+  145.0648 6465417.5 108
+  147.0439 2181098.2 36
+  157.0649 6535747 109
+  159.0442 3926153.5 65
+  169.0648 5189977 87
+  171.0442 983102.9 16
+  173.0597 2197860.2 36
+  185.0598 59488504 999
+  201.0547 1516971.6 25
+  213.0547 28554252 479
+  233.0965 4386736 73
+  243.0801 2165647.8 36
+  245.096 2046401 34
+  247.0754 1068171.8 17
+  261.0911 15121069 253
+  279.1019 1585280.2 26
+  307.0965 1533757.8 25
+//
diff --git a/Eawag/MSBNK-MLU-ED236706.txt b/Eawag/MSBNK-MLU-ED236706.txt
new file mode 100644
index 0000000000..3dd3b8fd08
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED236706.txt
@@ -0,0 +1,132 @@
+ACCESSION: MSBNK-MLU-ED236706
+RECORD_TITLE: Nostolactone 4; LC-ESI-QFT; MS2; CE: 50%; R=17500; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], R. Kossack [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2367
+CH$NAME: Nostolactone 4
+CH$NAME: 3-[(2,4-dihydroxyphenyl)methyl]-6-(4-hydroxyphenyl)-4-[(4-hydroxyphenyl)methyl]pyran-2-one
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C25H20O6
+CH$EXACT_MASS: 416.1259884
+CH$SMILES: C1=CC(=CC=C1CC2=C(C(=O)OC(=C2)C3=CC=C(C=C3)O)CC4=C(C=C(C=C4)O)O)O
+CH$IUPAC: InChI=1S/C25H20O6/c26-19-6-1-15(2-7-19)11-18-13-24(16-3-8-20(27)9-4-16)31-25(30)22(18)12-17-5-10-21(28)14-23(17)29/h1-10,13-14,26-29H,11-12H2
+CH$LINK: PUBCHEM CID:156013417
+CH$LINK: INCHIKEY ALOKGBOHBCZWBY-UHFFFAOYSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-445
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.534 min
+MS$FOCUSED_ION: BASE_PEAK 417.1334
+MS$FOCUSED_ION: PRECURSOR_M/Z 417.1333
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 344268784.01
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0a4r-0920000000-06dd64137e89b79e44d4
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  65.0387 C5H5+ 1 65.0386 2.12
+  79.0543 C6H7+ 1 79.0542 1.04
+  91.0543 C7H7+ 1 91.0542 1.25
+  95.0492 C6H7O+ 1 95.0491 0.41
+  103.0542 C8H7+ 1 103.0542 -0.1
+  107.0492 C7H7O+ 1 107.0491 0.48
+  111.0442 C6H7O2+ 1 111.0441 1.72
+  115.0541 C9H7+ 1 115.0542 -0.85
+  117.0699 C9H9+ 1 117.0699 0.23
+  119.0492 C8H7O+ 1 119.0491 0.39
+  121.0284 C7H5O2+ 1 121.0284 0.27
+  123.0441 C7H7O2+ 1 123.0441 0.52
+  129.0699 C10H9+ 1 129.0699 0.19
+  131.0491 C9H7O+ 1 131.0491 -0.23
+  135.0439 C8H7O2+ 1 135.0441 -0.84
+  139.0541 C11H7+ 1 139.0542 -1.12
+  141.07 C11H9+ 1 141.0699 0.63
+  145.0648 C10H9O+ 1 145.0648 -0.13
+  147.0439 C9H7O2+ 1 147.0441 -1.18
+  157.0648 C11H9O+ 1 157.0648 -0.22
+  159.044 C10H7O2+ 1 159.0441 -0.46
+  167.0491 C12H7O+ 1 167.0491 -0.24
+  169.0647 C12H9O+ 1 169.0648 -0.43
+  173.0597 C11H9O2+ 1 173.0597 -0.21
+  185.0597 C12H9O2+ 1 185.0597 0.15
+  200.0468 C12H8O3+ 1 200.0468 -0.1
+  201.0545 C12H9O3+ 1 201.0546 -0.83
+  202.0774 C16H10+ 1 202.0777 -1.61
+  203.0856 C16H11+ 1 203.0855 0.38
+  205.1015 C16H13+ 1 205.1012 1.7
+  213.0547 C13H9O3+ 1 213.0546 0.2
+  215.0856 C17H11+ 1 215.0855 0.34
+  218.0727 C16H10O+ 1 218.0726 0.19
+  219.0804 C16H11O+ 1 219.0804 -0.27
+  226.0776 C18H10+ 1 226.0777 -0.45
+  233.0962 C17H13O+ 1 233.0961 0.32
+  236.0831 C16H12O2+ 1 236.0832 -0.15
+  243.0796 C18H11O+ 1 243.0804 -3.34
+  244.0881 C18H12O+ 1 244.0883 -0.67
+  245.096 C18H13O+ 1 245.0961 -0.46
+  247.0754 C17H11O2+ 1 247.0754 0.13
+  248.0833 C17H12O2+ 1 248.0832 0.46
+  251.1068 C17H15O2+ 1 251.1067 0.65
+  260.0826 C18H12O2+ 1 260.0832 -2.16
+  261.0911 C18H13O2+ 1 261.091 0.26
+PK$NUM_PEAK: 45
+PK$PEAK: m/z int. rel.int.
+  65.0387 593622.6 10
+  79.0543 936435.2 15
+  91.0543 1993555.1 33
+  95.0492 951247.9 16
+  103.0542 672151.9 11
+  107.0492 49275092 839
+  111.0442 934026.5 15
+  115.0541 795008.5 13
+  117.0699 1810852.4 30
+  119.0492 4756218.5 80
+  121.0284 31293114 532
+  123.0441 1695116 28
+  129.0699 2079106.8 35
+  131.0491 9055326 154
+  135.0439 1971161 33
+  139.0541 967848.7 16
+  141.07 2128206.8 36
+  145.0648 11019577 187
+  147.0439 2144666 36
+  157.0648 21236692 361
+  159.044 4734974 80
+  167.0491 1932506.9 32
+  169.0647 5626264.5 95
+  173.0597 2568386.2 43
+  185.0597 58662668 999
+  200.0468 1026768.2 17
+  201.0545 824907.3 14
+  202.0774 1237350.2 21
+  203.0856 1108526.2 18
+  205.1015 1562327.4 26
+  213.0547 7038476.5 119
+  215.0856 4232131.5 72
+  218.0727 2063163.2 35
+  219.0804 1151551.9 19
+  226.0776 612573.8 10
+  233.0962 4682330.5 79
+  236.0831 1269194.8 21
+  243.0796 3294887.2 56
+  244.0881 923768.5 15
+  245.096 2112676 35
+  247.0754 2284862 38
+  248.0833 2849167.8 48
+  251.1068 1742902 29
+  260.0826 691047.8 11
+  261.0911 9360176 159
+//
diff --git a/Eawag/MSBNK-MLU-ED236707.txt b/Eawag/MSBNK-MLU-ED236707.txt
new file mode 100644
index 0000000000..734cc991f5
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED236707.txt
@@ -0,0 +1,110 @@
+ACCESSION: MSBNK-MLU-ED236707
+RECORD_TITLE: Nostolactone 4; LC-ESI-QFT; MS2; CE: 60%; R=17500; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], R. Kossack [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2367
+CH$NAME: Nostolactone 4
+CH$NAME: 3-[(2,4-dihydroxyphenyl)methyl]-6-(4-hydroxyphenyl)-4-[(4-hydroxyphenyl)methyl]pyran-2-one
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C25H20O6
+CH$EXACT_MASS: 416.1259884
+CH$SMILES: C1=CC(=CC=C1CC2=C(C(=O)OC(=C2)C3=CC=C(C=C3)O)CC4=C(C=C(C=C4)O)O)O
+CH$IUPAC: InChI=1S/C25H20O6/c26-19-6-1-15(2-7-19)11-18-13-24(16-3-8-20(27)9-4-16)31-25(30)22(18)12-17-5-10-21(28)14-23(17)29/h1-10,13-14,26-29H,11-12H2
+CH$LINK: PUBCHEM CID:156013417
+CH$LINK: INCHIKEY ALOKGBOHBCZWBY-UHFFFAOYSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-445
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.534 min
+MS$FOCUSED_ION: BASE_PEAK 417.1334
+MS$FOCUSED_ION: PRECURSOR_M/Z 417.1333
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 344268784.01
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0a4i-0900000000-9316c4a45cbfa9892133
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  55.0181 C3H3O+ 1 55.0178 4.89
+  67.0179 C4H3O+ 1 67.0178 1.05
+  79.0543 C6H7+ 1 79.0542 0.75
+  91.0543 C7H7+ 1 91.0542 0.5
+  103.0544 C8H7+ 1 103.0542 2.04
+  107.0492 C7H7O+ 1 107.0491 0.48
+  111.0441 C6H7O2+ 1 111.0441 0.62
+  115.0544 C9H7+ 1 115.0542 1.4
+  117.0699 C9H9+ 1 117.0699 0.49
+  119.0492 C8H7O+ 1 119.0491 0.77
+  121.0285 C7H5O2+ 1 121.0284 0.71
+  131.0492 C9H7O+ 1 131.0491 0.11
+  135.044 C8H7O2+ 1 135.0441 -0.17
+  139.0541 C11H7+ 1 139.0542 -1.01
+  141.0697 C11H9+ 1 141.0699 -0.99
+  147.044 C9H7O2+ 1 147.0441 -0.35
+  157.0648 C11H9O+ 1 157.0648 -0.03
+  167.0494 C12H7O+ 1 167.0491 1.49
+  169.0648 C12H9O+ 1 169.0648 0.12
+  173.0595 C11H9O2+ 1 173.0597 -0.92
+  185.0597 C12H9O2+ 1 185.0597 0.23
+  190.0779 C15H10+ 1 190.0777 0.92
+  213.0541 C13H9O3+ 1 213.0546 -2.45
+  218.0725 C16H10O+ 1 218.0726 -0.51
+  219.0806 C16H11O+ 1 219.0804 0.91
+  220.0883 C16H12O+ 1 220.0883 0.31
+  226.0779 C18H10+ 1 226.0777 0.97
+  233.0963 C17H13O+ 1 233.0961 0.78
+  235.0753 C16H11O2+ 1 235.0754 -0.24
+  242.072 C18H10O+ 1 242.0726 -2.43
+  245.0962 C18H13O+ 1 245.0961 0.35
+  248.0834 C17H12O2+ 1 248.0832 1.01
+  260.083 C18H12O2+ 1 260.0832 -0.87
+  261.0913 C18H13O2+ 1 261.091 1.2
+PK$NUM_PEAK: 34
+PK$PEAK: m/z int. rel.int.
+  55.0181 1125154.5 23
+  67.0179 559388.4 11
+  79.0543 1868264.1 39
+  91.0543 3412621 72
+  103.0544 1539531.4 32
+  107.0492 47009248 999
+  111.0441 1924598.5 40
+  115.0544 1430652 30
+  117.0699 2865027.2 60
+  119.0492 3800856.5 80
+  121.0285 22141186 470
+  131.0492 10491375 222
+  135.044 965356.1 20
+  139.0541 1863960 39
+  141.0697 2903977.8 61
+  147.044 1654202.4 35
+  157.0648 29085794 618
+  167.0494 1746749 37
+  169.0648 3154007.5 67
+  173.0595 1106017.4 23
+  185.0597 26345780 559
+  190.0779 1215563.2 25
+  213.0541 848765.1 18
+  218.0725 2805555.2 59
+  219.0806 1205401.5 25
+  220.0883 734186.1 15
+  226.0779 1065686.9 22
+  233.0963 2385955.5 50
+  235.0753 559249.2 11
+  242.072 1126507.2 23
+  245.0962 962033.2 20
+  248.0834 1725447.6 36
+  260.083 1099928.6 23
+  261.0913 3324871.5 70
+//
diff --git a/Eawag/MSBNK-MLU-ED236708.txt b/Eawag/MSBNK-MLU-ED236708.txt
new file mode 100644
index 0000000000..3bd6471270
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED236708.txt
@@ -0,0 +1,154 @@
+ACCESSION: MSBNK-MLU-ED236708
+RECORD_TITLE: Nostolactone 4; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], R. Kossack [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2367
+CH$NAME: Nostolactone 4
+CH$NAME: 3-[(2,4-dihydroxyphenyl)methyl]-6-(4-hydroxyphenyl)-4-[(4-hydroxyphenyl)methyl]pyran-2-one
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C25H20O6
+CH$EXACT_MASS: 416.1259884
+CH$SMILES: C1=CC(=CC=C1CC2=C(C(=O)OC(=C2)C3=CC=C(C=C3)O)CC4=C(C=C(C=C4)O)O)O
+CH$IUPAC: InChI=1S/C25H20O6/c26-19-6-1-15(2-7-19)11-18-13-24(16-3-8-20(27)9-4-16)31-25(30)22(18)12-17-5-10-21(28)14-23(17)29/h1-10,13-14,26-29H,11-12H2
+CH$LINK: PUBCHEM CID:156013417
+CH$LINK: INCHIKEY ALOKGBOHBCZWBY-UHFFFAOYSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-445
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.534 min
+MS$FOCUSED_ION: BASE_PEAK 417.1334
+MS$FOCUSED_ION: PRECURSOR_M/Z 417.1333
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 344268784.01
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0a4i-0920000000-3db8edac0680102ca768
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  55.0181 C3H3O+ 1 55.0178 4.76
+  65.0388 C5H5+ 1 65.0386 3.17
+  79.0543 C6H7+ 1 79.0542 0.75
+  91.0543 C7H7+ 1 91.0542 0.75
+  95.0492 C6H7O+ 1 95.0491 0.33
+  103.0542 C8H7+ 1 103.0542 0.19
+  107.0492 C7H7O+ 1 107.0491 0.83
+  111.0442 C6H7O2+ 1 111.0441 1.23
+  115.0542 C9H7+ 1 115.0542 0.08
+  117.0699 C9H9+ 1 117.0699 0.62
+  119.0492 C8H7O+ 1 119.0491 0.32
+  121.0284 C7H5O2+ 1 121.0284 0.15
+  123.0443 C7H7O2+ 1 123.0441 1.76
+  128.0621 C10H8+ 1 128.0621 0.12
+  129.0699 C10H9+ 1 129.0699 0.31
+  131.0491 C9H7O+ 1 131.0491 0
+  139.0542 C11H7+ 1 139.0542 -0.36
+  141.07 C11H9+ 1 141.0699 0.53
+  143.0491 C10H7O+ 1 143.0491 -0.37
+  144.0569 C10H8O+ 1 144.057 -0.36
+  145.0648 C10H9O+ 1 145.0648 0.08
+  147.0441 C9H7O2+ 1 147.0441 0.59
+  157.0648 C11H9O+ 1 157.0648 0.07
+  159.0439 C10H7O2+ 1 159.0441 -0.84
+  165.0697 C13H9+ 1 165.0699 -1.22
+  167.0492 C12H7O+ 1 167.0491 0.58
+  168.0572 C12H8O+ 1 168.057 1.25
+  169.0649 C12H9O+ 1 169.0648 0.93
+  184.0517 C12H8O2+ 1 184.0519 -1.2
+  185.0597 C12H9O2+ 1 185.0597 0.23
+  189.0696 C15H9+ 1 189.0699 -1.53
+  190.0778 C15H10+ 1 190.0777 0.44
+  191.0854 C15H11+ 1 191.0855 -0.9
+  194.0728 C14H10O+ 1 194.0726 1.13
+  202.0779 C16H10+ 1 202.0777 0.96
+  203.0856 C16H11+ 1 203.0855 0.31
+  205.1014 C16H13+ 1 205.1012 1.03
+  207.0803 C15H11O+ 1 207.0804 -0.79
+  208.0881 C15H12O+ 1 208.0883 -0.76
+  215.0857 C17H11+ 1 215.0855 0.63
+  216.0936 C17H12+ 1 216.0934 0.94
+  218.0726 C16H10O+ 1 218.0726 0.05
+  219.0806 C16H11O+ 1 219.0804 0.57
+  220.0887 C16H12O+ 1 220.0883 1.91
+  226.0776 C18H10+ 1 226.0777 -0.25
+  231.0805 C17H11O+ 1 231.0804 0.27
+  232.0885 C17H12O+ 1 232.0883 1.02
+  233.0966 C17H13O+ 1 233.0961 2.22
+  235.0758 C16H11O2+ 1 235.0754 1.77
+  236.0831 C16H12O2+ 1 236.0832 -0.28
+  242.0729 C18H10O+ 1 242.0726 0.97
+  243.0801 C18H11O+ 1 243.0804 -1.33
+  244.0883 C18H12O+ 1 244.0883 0.02
+  247.0756 C17H11O2+ 1 247.0754 0.93
+  248.0831 C17H12O2+ 1 248.0832 -0.28
+  260.0832 C18H12O2+ 1 260.0832 0.18
+PK$NUM_PEAK: 56
+PK$PEAK: m/z int. rel.int.
+  55.0181 1381649.1 26
+  65.0388 3801644.5 73
+  79.0543 4215855.5 81
+  91.0543 5814087.5 112
+  95.0492 3138100.2 60
+  103.0542 3440645.8 66
+  107.0492 51613312 999
+  111.0442 3143702.8 60
+  115.0542 4566636 88
+  117.0699 4459192 86
+  119.0492 3943544.2 76
+  121.0284 18848466 364
+  123.0443 814553.6 15
+  128.0621 5704679 110
+  129.0699 10111385 195
+  131.0491 12858436 248
+  139.0542 3257083.8 63
+  141.07 4042021.2 78
+  143.0491 518786.7 10
+  144.0569 1501090.4 29
+  145.0648 9906951 191
+  147.0441 1329807 25
+  157.0648 35023448 677
+  159.0439 2177219 42
+  165.0697 601984.4 11
+  167.0492 1477243.9 28
+  168.0572 1851667.4 35
+  169.0649 2081381.5 40
+  184.0517 570158.1 11
+  185.0597 12287844 237
+  189.0696 1204302.2 23
+  190.0778 1957675.4 37
+  191.0854 680170.2 13
+  194.0728 711647.3 13
+  202.0779 3152470.8 61
+  203.0856 2177790.8 42
+  205.1014 1158082.5 22
+  207.0803 859211.3 16
+  208.0881 530562 10
+  215.0857 8625227 166
+  216.0936 725301.8 14
+  218.0726 4010749 77
+  219.0806 1576645.6 30
+  220.0887 804901.1 15
+  226.0776 1694331.1 32
+  231.0805 3737418.8 72
+  232.0885 946058.1 18
+  233.0966 1401948.9 27
+  235.0758 862571.8 16
+  236.0831 1865431.2 36
+  242.0729 1520612 29
+  243.0801 1513308.9 29
+  244.0883 1836747.6 35
+  247.0756 3690452.5 71
+  248.0831 868543 16
+  260.0832 1396697.6 27
+//
diff --git a/Eawag/MSBNK-MLU-ED236709.txt b/Eawag/MSBNK-MLU-ED236709.txt
new file mode 100644
index 0000000000..e16ca9a040
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED236709.txt
@@ -0,0 +1,112 @@
+ACCESSION: MSBNK-MLU-ED236709
+RECORD_TITLE: Nostolactone 4; LC-ESI-QFT; MS2; CE: 80%; R=17500; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], R. Kossack [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2367
+CH$NAME: Nostolactone 4
+CH$NAME: 3-[(2,4-dihydroxyphenyl)methyl]-6-(4-hydroxyphenyl)-4-[(4-hydroxyphenyl)methyl]pyran-2-one
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C25H20O6
+CH$EXACT_MASS: 416.1259884
+CH$SMILES: C1=CC(=CC=C1CC2=C(C(=O)OC(=C2)C3=CC=C(C=C3)O)CC4=C(C=C(C=C4)O)O)O
+CH$IUPAC: InChI=1S/C25H20O6/c26-19-6-1-15(2-7-19)11-18-13-24(16-3-8-20(27)9-4-16)31-25(30)22(18)12-17-5-10-21(28)14-23(17)29/h1-10,13-14,26-29H,11-12H2
+CH$LINK: PUBCHEM CID:156013417
+CH$LINK: INCHIKEY ALOKGBOHBCZWBY-UHFFFAOYSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-445
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.534 min
+MS$FOCUSED_ION: BASE_PEAK 417.1334
+MS$FOCUSED_ION: PRECURSOR_M/Z 417.1333
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 344268784.01
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0a4i-1910000000-cc0433bc6e4cab43c424
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  65.0388 C5H5+ 1 65.0386 3.06
+  79.0543 C6H7+ 1 79.0542 0.85
+  91.0543 C7H7+ 1 91.0542 0.66
+  95.0492 C6H7O+ 1 95.0491 0.33
+  103.0543 C8H7+ 1 103.0542 0.42
+  107.0492 C7H7O+ 1 107.0491 0.62
+  111.0441 C6H7O2+ 1 111.0441 0.55
+  115.0542 C9H7+ 1 115.0542 0.08
+  117.0699 C9H9+ 1 117.0699 0.04
+  119.0492 C8H7O+ 1 119.0491 0.39
+  121.0285 C7H5O2+ 1 121.0284 0.65
+  127.0543 C10H7+ 1 127.0542 0.28
+  128.0621 C10H8+ 1 128.0621 0.36
+  129.0699 C10H9+ 1 129.0699 0.31
+  139.0541 C11H7+ 1 139.0542 -0.79
+  145.0648 C10H9O+ 1 145.0648 -0.24
+  157.0648 C11H9O+ 1 157.0648 -0.03
+  159.0439 C10H7O2+ 1 159.0441 -1.23
+  167.0491 C12H7O+ 1 167.0491 -0.52
+  168.0572 C12H8O+ 1 168.057 1.16
+  169.0648 C12H9O+ 1 169.0648 0.21
+  185.0598 C12H9O2+ 1 185.0597 0.64
+  189.0698 C15H9+ 1 189.0699 -0.4
+  190.0777 C15H10+ 1 190.0777 0.11
+  191.086 C15H11+ 1 191.0855 2.62
+  202.0779 C16H10+ 1 202.0777 0.88
+  207.0806 C15H11O+ 1 207.0804 0.68
+  215.0857 C17H11+ 1 215.0855 0.7
+  218.0727 C16H10O+ 1 218.0726 0.19
+  226.0778 C18H10+ 1 226.0777 0.29
+  231.0807 C17H11O+ 1 231.0804 1.12
+  232.0888 C17H12O+ 1 232.0883 2.13
+  244.0884 C18H12O+ 1 244.0883 0.52
+  247.0755 C17H11O2+ 1 247.0754 0.56
+  260.0833 C18H12O2+ 1 260.0832 0.3
+PK$NUM_PEAK: 35
+PK$PEAK: m/z int. rel.int.
+  65.0388 6662749.5 170
+  79.0543 4908973 125
+  91.0543 6808777.5 174
+  95.0492 4578931.5 117
+  103.0543 4826521 123
+  107.0492 39082784 999
+  111.0441 3020766 77
+  115.0542 7143885.5 182
+  117.0699 3529151 90
+  119.0492 2926733.5 74
+  121.0285 10834180 276
+  127.0543 1640351.8 41
+  128.0621 11171410 285
+  129.0699 9624179 246
+  139.0541 3759394.8 96
+  145.0648 6722108 171
+  157.0648 22589174 577
+  159.0439 808759.8 20
+  167.0491 885348.1 22
+  168.0572 1387159.8 35
+  169.0648 968833.5 24
+  185.0598 3238187.2 82
+  189.0698 2293534.8 58
+  190.0777 1942766.6 49
+  191.086 833613.4 21
+  202.0779 3037754.2 77
+  207.0806 1178974.9 30
+  215.0857 7037131 179
+  218.0727 3395704.5 86
+  226.0778 1493474 38
+  231.0807 3777841.8 96
+  232.0888 631423.7 16
+  244.0884 949000.9 24
+  247.0755 2696439.8 68
+  260.0833 1236654 31
+//
diff --git a/Eawag/MSBNK-MLU-ED236751.txt b/Eawag/MSBNK-MLU-ED236751.txt
new file mode 100644
index 0000000000..5e9ffa9958
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED236751.txt
@@ -0,0 +1,52 @@
+ACCESSION: MSBNK-MLU-ED236751
+RECORD_TITLE: Nostolactone 4; LC-ESI-QFT; MS2; CE: 15%; R=17500; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], R. Kossack [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2367
+CH$NAME: Nostolactone 4
+CH$NAME: 3-[(2,4-dihydroxyphenyl)methyl]-6-(4-hydroxyphenyl)-4-[(4-hydroxyphenyl)methyl]pyran-2-one
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C25H20O6
+CH$EXACT_MASS: 416.1259884
+CH$SMILES: C1=CC(=CC=C1CC2=C(C(=O)OC(=C2)C3=CC=C(C=C3)O)CC4=C(C=C(C=C4)O)O)O
+CH$IUPAC: InChI=1S/C25H20O6/c26-19-6-1-15(2-7-19)11-18-13-24(16-3-8-20(27)9-4-16)31-25(30)22(18)12-17-5-10-21(28)14-23(17)29/h1-10,13-14,26-29H,11-12H2
+CH$LINK: PUBCHEM CID:156013417
+CH$LINK: INCHIKEY ALOKGBOHBCZWBY-UHFFFAOYSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-440
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.514 min
+MS$FOCUSED_ION: BASE_PEAK 415.1185
+MS$FOCUSED_ION: PRECURSOR_M/Z 415.1187
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 139106578.67
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-014l-0073900000-90e590391d1232475eef
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  281.0817 C17H13O4- 1 281.0819 -0.77
+  293.082 C18H13O4- 1 293.0819 0.33
+  305.082 C19H13O4- 1 305.0819 0.08
+  309.0767 C18H13O5- 1 309.0768 -0.36
+  415.1188 C25H19O6- 1 415.1187 0.24
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  281.0817 946354.3 34
+  293.082 22865416 827
+  305.082 2393866 86
+  309.0767 7413754.5 268
+  415.1188 27593920 999
+//
diff --git a/Eawag/MSBNK-MLU-ED236752.txt b/Eawag/MSBNK-MLU-ED236752.txt
new file mode 100644
index 0000000000..85e33d40cd
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED236752.txt
@@ -0,0 +1,56 @@
+ACCESSION: MSBNK-MLU-ED236752
+RECORD_TITLE: Nostolactone 4; LC-ESI-QFT; MS2; CE: 20%; R=17500; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], R. Kossack [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2367
+CH$NAME: Nostolactone 4
+CH$NAME: 3-[(2,4-dihydroxyphenyl)methyl]-6-(4-hydroxyphenyl)-4-[(4-hydroxyphenyl)methyl]pyran-2-one
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C25H20O6
+CH$EXACT_MASS: 416.1259884
+CH$SMILES: C1=CC(=CC=C1CC2=C(C(=O)OC(=C2)C3=CC=C(C=C3)O)CC4=C(C=C(C=C4)O)O)O
+CH$IUPAC: InChI=1S/C25H20O6/c26-19-6-1-15(2-7-19)11-18-13-24(16-3-8-20(27)9-4-16)31-25(30)22(18)12-17-5-10-21(28)14-23(17)29/h1-10,13-14,26-29H,11-12H2
+CH$LINK: PUBCHEM CID:156013417
+CH$LINK: INCHIKEY ALOKGBOHBCZWBY-UHFFFAOYSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-440
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.514 min
+MS$FOCUSED_ION: BASE_PEAK 415.1185
+MS$FOCUSED_ION: PRECURSOR_M/Z 415.1187
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 139106578.67
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0006-0093200000-c1f315e0af3e56f9b67b
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  187.0396 C11H7O3- 1 187.0401 -2.69
+  281.0823 C17H13O4- 1 281.0819 1.4
+  293.0821 C18H13O4- 1 293.0819 0.43
+  305.0819 C19H13O4- 1 305.0819 -0.12
+  308.0691 C18H12O5- 1 308.069 0.2
+  309.0768 C18H13O5- 1 309.0768 -0.27
+  415.1189 C25H19O6- 1 415.1187 0.39
+PK$NUM_PEAK: 7
+PK$PEAK: m/z int. rel.int.
+  187.0396 275368.3 12
+  281.0823 758381.9 34
+  293.0821 21770530 999
+  305.0819 2640004.2 121
+  308.0691 425502.1 19
+  309.0768 6218699 285
+  415.1189 5636072 258
+//
diff --git a/Eawag/MSBNK-MLU-ED236753.txt b/Eawag/MSBNK-MLU-ED236753.txt
new file mode 100644
index 0000000000..0d7adb19fc
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED236753.txt
@@ -0,0 +1,56 @@
+ACCESSION: MSBNK-MLU-ED236753
+RECORD_TITLE: Nostolactone 4; LC-ESI-QFT; MS2; CE: 25%; R=17500; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], R. Kossack [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2367
+CH$NAME: Nostolactone 4
+CH$NAME: 3-[(2,4-dihydroxyphenyl)methyl]-6-(4-hydroxyphenyl)-4-[(4-hydroxyphenyl)methyl]pyran-2-one
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C25H20O6
+CH$EXACT_MASS: 416.1259884
+CH$SMILES: C1=CC(=CC=C1CC2=C(C(=O)OC(=C2)C3=CC=C(C=C3)O)CC4=C(C=C(C=C4)O)O)O
+CH$IUPAC: InChI=1S/C25H20O6/c26-19-6-1-15(2-7-19)11-18-13-24(16-3-8-20(27)9-4-16)31-25(30)22(18)12-17-5-10-21(28)14-23(17)29/h1-10,13-14,26-29H,11-12H2
+CH$LINK: PUBCHEM CID:156013417
+CH$LINK: INCHIKEY ALOKGBOHBCZWBY-UHFFFAOYSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-440
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.514 min
+MS$FOCUSED_ION: BASE_PEAK 415.1185
+MS$FOCUSED_ION: PRECURSOR_M/Z 415.1187
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 139106578.67
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0006-0093000000-15f3067158a90fddd198
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  187.04 C11H7O3- 1 187.0401 -0.32
+  281.0821 C17H13O4- 1 281.0819 0.75
+  293.0821 C18H13O4- 1 293.0819 0.54
+  305.0819 C19H13O4- 1 305.0819 -0.22
+  308.0692 C18H12O5- 1 308.069 0.59
+  309.0768 C18H13O5- 1 309.0768 -0.27
+  415.1188 C25H19O6- 1 415.1187 0.32
+PK$NUM_PEAK: 7
+PK$PEAK: m/z int. rel.int.
+  187.04 1128194.1 26
+  281.0821 1419727.2 33
+  293.0821 42706500 999
+  305.0819 5362151.5 125
+  308.0692 1109649.4 25
+  309.0768 10550120 246
+  415.1188 3126266 73
+//
diff --git a/Eawag/MSBNK-MLU-ED236754.txt b/Eawag/MSBNK-MLU-ED236754.txt
new file mode 100644
index 0000000000..890c50c329
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED236754.txt
@@ -0,0 +1,60 @@
+ACCESSION: MSBNK-MLU-ED236754
+RECORD_TITLE: Nostolactone 4; LC-ESI-QFT; MS2; CE: 30%; R=17500; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], R. Kossack [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2367
+CH$NAME: Nostolactone 4
+CH$NAME: 3-[(2,4-dihydroxyphenyl)methyl]-6-(4-hydroxyphenyl)-4-[(4-hydroxyphenyl)methyl]pyran-2-one
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C25H20O6
+CH$EXACT_MASS: 416.1259884
+CH$SMILES: C1=CC(=CC=C1CC2=C(C(=O)OC(=C2)C3=CC=C(C=C3)O)CC4=C(C=C(C=C4)O)O)O
+CH$IUPAC: InChI=1S/C25H20O6/c26-19-6-1-15(2-7-19)11-18-13-24(16-3-8-20(27)9-4-16)31-25(30)22(18)12-17-5-10-21(28)14-23(17)29/h1-10,13-14,26-29H,11-12H2
+CH$LINK: PUBCHEM CID:156013417
+CH$LINK: INCHIKEY ALOKGBOHBCZWBY-UHFFFAOYSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-440
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.514 min
+MS$FOCUSED_ION: BASE_PEAK 415.1185
+MS$FOCUSED_ION: PRECURSOR_M/Z 415.1187
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 139106578.67
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0006-0092000000-33603aed28b3f0c48cbd
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  174.0321 C10H6O3- 1 174.0322 -0.89
+  175.0395 C10H7O3- 1 175.0401 -3.07
+  187.0401 C11H7O3- 1 187.0401 0.33
+  249.0923 C17H13O2- 1 249.0921 0.63
+  281.0821 C17H13O4- 1 281.0819 0.42
+  293.0821 C18H13O4- 1 293.0819 0.54
+  305.0819 C19H13O4- 1 305.0819 -0.12
+  308.0694 C18H12O5- 1 308.069 1.39
+  309.0769 C18H13O5- 1 309.0768 0.13
+PK$NUM_PEAK: 9
+PK$PEAK: m/z int. rel.int.
+  174.0321 258389.6 10
+  175.0395 291201 11
+  187.0401 873115.2 34
+  249.0923 542531.1 21
+  281.0821 487622.9 19
+  293.0821 25226164 999
+  305.0819 2749759.2 108
+  308.0694 629895.2 24
+  309.0769 4661227 184
+//
diff --git a/Eawag/MSBNK-MLU-ED236755.txt b/Eawag/MSBNK-MLU-ED236755.txt
new file mode 100644
index 0000000000..cc570dc9b3
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED236755.txt
@@ -0,0 +1,80 @@
+ACCESSION: MSBNK-MLU-ED236755
+RECORD_TITLE: Nostolactone 4; LC-ESI-QFT; MS2; CE: 40%; R=17500; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], R. Kossack [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2367
+CH$NAME: Nostolactone 4
+CH$NAME: 3-[(2,4-dihydroxyphenyl)methyl]-6-(4-hydroxyphenyl)-4-[(4-hydroxyphenyl)methyl]pyran-2-one
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C25H20O6
+CH$EXACT_MASS: 416.1259884
+CH$SMILES: C1=CC(=CC=C1CC2=C(C(=O)OC(=C2)C3=CC=C(C=C3)O)CC4=C(C=C(C=C4)O)O)O
+CH$IUPAC: InChI=1S/C25H20O6/c26-19-6-1-15(2-7-19)11-18-13-24(16-3-8-20(27)9-4-16)31-25(30)22(18)12-17-5-10-21(28)14-23(17)29/h1-10,13-14,26-29H,11-12H2
+CH$LINK: PUBCHEM CID:156013417
+CH$LINK: INCHIKEY ALOKGBOHBCZWBY-UHFFFAOYSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-440
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.514 min
+MS$FOCUSED_ION: BASE_PEAK 415.1185
+MS$FOCUSED_ION: PRECURSOR_M/Z 415.1187
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 139106578.67
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0006-0291000000-5406ef8a5543b09d404b
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  141.034 C10H5O- 1 141.0346 -4.35
+  143.0496 C10H7O- 1 143.0502 -4.12
+  159.0447 C10H7O2- 1 159.0452 -2.61
+  171.0449 C11H7O2- 1 171.0452 -1.21
+  174.0319 C10H6O3- 1 174.0322 -2.2
+  175.0397 C10H7O3- 1 175.0401 -1.94
+  187.0399 C11H7O3- 1 187.0401 -0.81
+  199.0399 C12H7O3- 1 199.0401 -0.64
+  200.0471 C12H8O3- 1 200.0479 -3.78
+  247.0766 C17H11O2- 1 247.0765 0.69
+  249.092 C17H13O2- 1 249.0921 -0.29
+  261.0924 C18H13O2- 1 261.0921 1.2
+  265.087 C17H13O3- 1 265.087 -0.05
+  292.0744 C18H12O4- 1 292.0741 1.14
+  293.082 C18H13O4- 1 293.0819 0.12
+  303.0661 C19H11O4- 1 303.0663 -0.69
+  305.0817 C19H13O4- 1 305.0819 -0.62
+  308.0685 C18H12O5- 1 308.069 -1.58
+  309.0768 C18H13O5- 1 309.0768 -0.27
+PK$NUM_PEAK: 19
+PK$PEAK: m/z int. rel.int.
+  141.034 659664.9 14
+  143.0496 1579247.5 33
+  159.0447 1998659.6 42
+  171.0449 773120.1 16
+  174.0319 1636860.5 35
+  175.0397 1395997 29
+  187.0399 2959474.8 63
+  199.0399 709096.9 15
+  200.0471 509852.8 10
+  247.0766 657254.1 14
+  249.092 1940144.4 41
+  261.0924 990242.3 21
+  265.087 1322260.8 28
+  292.0744 544037.9 11
+  293.082 46618156 999
+  303.0661 710050.2 15
+  305.0817 2898184.2 62
+  308.0685 672667.8 14
+  309.0768 4044208.5 86
+//
diff --git a/Eawag/MSBNK-MLU-ED236756.txt b/Eawag/MSBNK-MLU-ED236756.txt
new file mode 100644
index 0000000000..3216bba877
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED236756.txt
@@ -0,0 +1,106 @@
+ACCESSION: MSBNK-MLU-ED236756
+RECORD_TITLE: Nostolactone 4; LC-ESI-QFT; MS2; CE: 50%; R=17500; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], R. Kossack [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2367
+CH$NAME: Nostolactone 4
+CH$NAME: 3-[(2,4-dihydroxyphenyl)methyl]-6-(4-hydroxyphenyl)-4-[(4-hydroxyphenyl)methyl]pyran-2-one
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C25H20O6
+CH$EXACT_MASS: 416.1259884
+CH$SMILES: C1=CC(=CC=C1CC2=C(C(=O)OC(=C2)C3=CC=C(C=C3)O)CC4=C(C=C(C=C4)O)O)O
+CH$IUPAC: InChI=1S/C25H20O6/c26-19-6-1-15(2-7-19)11-18-13-24(16-3-8-20(27)9-4-16)31-25(30)22(18)12-17-5-10-21(28)14-23(17)29/h1-10,13-14,26-29H,11-12H2
+CH$LINK: PUBCHEM CID:156013417
+CH$LINK: INCHIKEY ALOKGBOHBCZWBY-UHFFFAOYSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-440
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.514 min
+MS$FOCUSED_ION: BASE_PEAK 415.1185
+MS$FOCUSED_ION: PRECURSOR_M/Z 415.1187
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 139106578.67
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0006-0690000000-3ccb5ce87249c04ffa4e
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  141.0339 C10H5O- 1 141.0346 -4.68
+  143.0496 C10H7O- 1 143.0502 -4.33
+  145.0289 C9H5O2- 1 145.0295 -4.33
+  147.0446 C9H7O2- 1 147.0452 -3.45
+  155.0501 C11H7O- 1 155.0502 -0.8
+  158.0367 C10H6O2- 1 158.0373 -4.12
+  159.0447 C10H7O2- 1 159.0452 -2.61
+  161.0242 C9H5O3- 1 161.0244 -1.2
+  171.0446 C11H7O2- 1 171.0452 -3.08
+  174.0319 C10H6O3- 1 174.0322 -2.03
+  175.0397 C10H7O3- 1 175.0401 -2.37
+  186.0328 C11H6O3- 1 186.0322 2.81
+  187.0398 C11H7O3- 1 187.0401 -1.39
+  198.0324 C12H6O3- 1 198.0322 1
+  199.04 C12H7O3- 1 199.0401 -0.18
+  200.0476 C12H8O3- 1 200.0479 -1.34
+  211.0405 C13H7O3- 1 211.0401 2.28
+  223.0765 C15H11O2- 1 223.0765 0.35
+  246.069 C17H10O2- 1 246.0686 1.65
+  247.0763 C17H11O2- 1 247.0765 -0.79
+  248.0843 C17H12O2- 1 248.0843 0.05
+  249.0923 C17H13O2- 1 249.0921 0.69
+  260.0847 C18H12O2- 1 260.0843 1.53
+  261.0915 C18H13O2- 1 261.0921 -2.3
+  263.0716 C17H11O3- 1 263.0714 0.94
+  265.0871 C17H13O3- 1 265.087 0.3
+  275.0717 C18H11O3- 1 275.0714 1.34
+  292.0741 C18H12O4- 1 292.0741 -0.01
+  293.082 C18H13O4- 1 293.0819 0.23
+  303.0662 C19H11O4- 1 303.0663 -0.19
+  305.0823 C19H13O4- 1 305.0819 1.28
+  309.0765 C18H13O5- 1 309.0768 -1.06
+PK$NUM_PEAK: 32
+PK$PEAK: m/z int. rel.int.
+  141.0339 1475229.6 106
+  143.0496 2993866 215
+  145.0289 375643.8 27
+  147.0446 441013.5 31
+  155.0501 289701.2 20
+  158.0367 641915.5 46
+  159.0447 3270263.5 235
+  161.0242 636265.6 45
+  171.0446 506307.5 36
+  174.0319 1210558.5 87
+  175.0397 682806.6 49
+  186.0328 181144.4 13
+  187.0398 1632398.9 117
+  198.0324 156363.6 11
+  199.04 741999.2 53
+  200.0476 789995.8 56
+  211.0405 276076.8 19
+  223.0765 231072.8 16
+  246.069 216691.5 15
+  247.0763 1115814.6 80
+  248.0843 456501.4 32
+  249.0923 1114181.2 80
+  260.0847 203800.8 14
+  261.0915 272704.2 19
+  263.0716 305354.5 21
+  265.0871 595339.5 42
+  275.0717 187419 13
+  292.0741 565616.9 40
+  293.082 13895732 999
+  303.0662 363403.6 26
+  305.0823 303401.7 21
+  309.0765 371496.1 26
+//
diff --git a/Eawag/MSBNK-MLU-ED236757.txt b/Eawag/MSBNK-MLU-ED236757.txt
new file mode 100644
index 0000000000..1dc1c8fda7
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED236757.txt
@@ -0,0 +1,126 @@
+ACCESSION: MSBNK-MLU-ED236757
+RECORD_TITLE: Nostolactone 4; LC-ESI-QFT; MS2; CE: 60%; R=17500; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], R. Kossack [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2367
+CH$NAME: Nostolactone 4
+CH$NAME: 3-[(2,4-dihydroxyphenyl)methyl]-6-(4-hydroxyphenyl)-4-[(4-hydroxyphenyl)methyl]pyran-2-one
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C25H20O6
+CH$EXACT_MASS: 416.1259884
+CH$SMILES: C1=CC(=CC=C1CC2=C(C(=O)OC(=C2)C3=CC=C(C=C3)O)CC4=C(C=C(C=C4)O)O)O
+CH$IUPAC: InChI=1S/C25H20O6/c26-19-6-1-15(2-7-19)11-18-13-24(16-3-8-20(27)9-4-16)31-25(30)22(18)12-17-5-10-21(28)14-23(17)29/h1-10,13-14,26-29H,11-12H2
+CH$LINK: PUBCHEM CID:156013417
+CH$LINK: INCHIKEY ALOKGBOHBCZWBY-UHFFFAOYSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-440
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.514 min
+MS$FOCUSED_ION: BASE_PEAK 415.1185
+MS$FOCUSED_ION: PRECURSOR_M/Z 415.1187
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 139106578.67
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-052f-0950000000-2a6667bc1279e95fe812
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  143.0496 C10H7O- 1 143.0502 -4.76
+  145.0289 C9H5O2- 1 145.0295 -4.01
+  147.0446 C9H7O2- 1 147.0452 -3.76
+  155.0499 C11H7O- 1 155.0502 -2.08
+  156.0578 C11H8O- 1 156.0581 -1.7
+  158.0369 C10H6O2- 1 158.0373 -2.67
+  159.0447 C10H7O2- 1 159.0452 -2.61
+  161.024 C9H5O3- 1 161.0244 -2.33
+  167.0499 C12H7O- 1 167.0502 -1.83
+  171.0447 C11H7O2- 1 171.0452 -2.55
+  173.0242 C10H5O3- 1 173.0244 -1.51
+  173.0603 C11H9O2- 1 173.0608 -3.14
+  174.032 C10H6O3- 1 174.0322 -1.68
+  175.0399 C10H7O3- 1 175.0401 -1.07
+  186.032 C11H6O3- 1 186.0322 -1.04
+  187.0398 C11H7O3- 1 187.0401 -1.63
+  189.0192 C10H5O4- 1 189.0193 -0.88
+  195.0816 C14H11O- 1 195.0815 0.37
+  198.0324 C12H6O3- 1 198.0322 0.62
+  199.0398 C12H7O3- 1 199.0401 -1.25
+  200.0477 C12H8O3- 1 200.0479 -0.96
+  206.0737 C15H10O- 1 206.0737 0.16
+  207.0818 C15H11O- 1 207.0815 1.46
+  211.0399 C13H7O3- 1 211.0401 -0.61
+  211.0764 C14H11O2- 1 211.0765 -0.43
+  223.077 C15H11O2- 1 223.0765 2.27
+  233.0608 C16H9O2- 1 233.0608 0.07
+  234.0685 C16H10O2- 1 234.0686 -0.54
+  235.0756 C16H11O2- 1 235.0765 -3.48
+  237.0926 C16H13O2- 1 237.0921 2.16
+  246.0689 C17H10O2- 1 246.0686 1.28
+  247.0763 C17H11O2- 1 247.0765 -0.42
+  248.084 C17H12O2- 1 248.0843 -1.31
+  249.0921 C17H13O2- 1 249.0921 -0.17
+  259.0763 C18H11O2- 1 259.0765 -0.5
+  260.0841 C18H12O2- 1 260.0843 -0.82
+  261.0567 C17H9O3- 1 261.0557 3.69
+  261.0921 C18H13O2- 1 261.0921 -0.2
+  275.0719 C18H11O3- 1 275.0714 2
+  292.0741 C18H12O4- 1 292.0741 -0.01
+  293.0819 C18H13O4- 1 293.0819 -0.09
+  303.0665 C19H11O4- 1 303.0663 0.82
+PK$NUM_PEAK: 42
+PK$PEAK: m/z int. rel.int.
+  143.0496 5121299.5 926
+  145.0289 1105390.1 200
+  147.0446 1022464.6 185
+  155.0499 411930.4 74
+  156.0578 100679.2 18
+  158.0369 2137168.2 386
+  159.0447 4546637 822
+  161.024 1237538 224
+  167.0499 212665.8 38
+  171.0447 913480.4 165
+  173.0242 244556.5 44
+  173.0603 216963.7 39
+  174.032 1407773.6 254
+  175.0399 514675.1 93
+  186.032 360027.5 65
+  187.0398 1850478.2 334
+  189.0192 338387.8 61
+  195.0816 146570.8 26
+  198.0324 155168.7 28
+  199.0398 898969.8 162
+  200.0477 1243989.2 225
+  206.0737 161873.2 29
+  207.0818 182509.5 33
+  211.0399 367953 66
+  211.0764 120509.6 21
+  223.077 402359 72
+  233.0608 112972.7 20
+  234.0685 162940.6 29
+  235.0756 237470 42
+  237.0926 176458.6 31
+  246.0689 333266.8 60
+  247.0763 1884707.8 341
+  248.084 644287.2 116
+  249.0921 814661.2 147
+  259.0763 219250.9 39
+  260.0841 208748.9 37
+  261.0567 85964.3 15
+  261.0921 186997 33
+  275.0719 194782.1 35
+  292.0741 752104.4 136
+  293.0819 5519086 999
+  303.0665 303773.7 54
+//
diff --git a/Eawag/MSBNK-MLU-ED236758.txt b/Eawag/MSBNK-MLU-ED236758.txt
new file mode 100644
index 0000000000..b8ff82195a
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED236758.txt
@@ -0,0 +1,104 @@
+ACCESSION: MSBNK-MLU-ED236758
+RECORD_TITLE: Nostolactone 4; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], R. Kossack [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2367
+CH$NAME: Nostolactone 4
+CH$NAME: 3-[(2,4-dihydroxyphenyl)methyl]-6-(4-hydroxyphenyl)-4-[(4-hydroxyphenyl)methyl]pyran-2-one
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C25H20O6
+CH$EXACT_MASS: 416.1259884
+CH$SMILES: C1=CC(=CC=C1CC2=C(C(=O)OC(=C2)C3=CC=C(C=C3)O)CC4=C(C=C(C=C4)O)O)O
+CH$IUPAC: InChI=1S/C25H20O6/c26-19-6-1-15(2-7-19)11-18-13-24(16-3-8-20(27)9-4-16)31-25(30)22(18)12-17-5-10-21(28)14-23(17)29/h1-10,13-14,26-29H,11-12H2
+CH$LINK: PUBCHEM CID:156013417
+CH$LINK: INCHIKEY ALOKGBOHBCZWBY-UHFFFAOYSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-440
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.514 min
+MS$FOCUSED_ION: BASE_PEAK 415.1185
+MS$FOCUSED_ION: PRECURSOR_M/Z 415.1187
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 139106578.67
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0a4m-0930000000-440651301933d270d45d
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  135.0446 C8H7O2- 1 135.0452 -4.04
+  143.0496 C10H7O- 1 143.0502 -4.54
+  145.0289 C9H5O2- 1 145.0295 -3.91
+  147.0446 C9H7O2- 1 147.0452 -3.97
+  155.0497 C11H7O- 1 155.0502 -3.16
+  158.037 C10H6O2- 1 158.0373 -2.38
+  159.0447 C10H7O2- 1 159.0452 -2.7
+  161.0239 C9H5O3- 1 161.0244 -3
+  167.0498 C12H7O- 1 167.0502 -2.56
+  171.0448 C11H7O2- 1 171.0452 -1.83
+  174.0319 C10H6O3- 1 174.0322 -1.77
+  175.0397 C10H7O3- 1 175.0401 -2.2
+  187.0399 C11H7O3- 1 187.0401 -0.9
+  198.0325 C12H6O3- 1 198.0322 1.23
+  199.04 C12H7O3- 1 199.0401 -0.33
+  200.048 C12H8O3- 1 200.0479 0.64
+  207.0819 C15H11O- 1 207.0815 1.68
+  211.0397 C13H7O3- 1 211.0401 -1.77
+  219.0822 C16H11O- 1 219.0815 3.15
+  222.0688 C15H10O2- 1 222.0686 0.65
+  235.0762 C16H11O2- 1 235.0765 -1.28
+  245.0601 C17H9O2- 1 245.0608 -3.05
+  246.0686 C17H10O2- 1 246.0686 -0.27
+  247.0765 C17H11O2- 1 247.0765 0.14
+  248.0836 C17H12O2- 1 248.0843 -2.78
+  260.0838 C18H12O2- 1 260.0843 -1.87
+  263.0715 C17H11O3- 1 263.0714 0.36
+  264.0793 C17H12O3- 1 264.0792 0.27
+  292.074 C18H12O4- 1 292.0741 -0.22
+  293.0818 C18H13O4- 1 293.0819 -0.3
+  303.066 C19H11O4- 1 303.0663 -0.89
+PK$NUM_PEAK: 31
+PK$PEAK: m/z int. rel.int.
+  135.0446 92092.1 36
+  143.0496 2496928.5 999
+  145.0289 672374.2 269
+  147.0446 767505.1 307
+  155.0497 347214 138
+  158.037 2174451 869
+  159.0447 2011964.4 804
+  161.0239 923937.6 369
+  167.0498 97050 38
+  171.0448 432199.6 172
+  174.0319 520616.9 208
+  175.0397 147322.6 58
+  187.0399 789929.2 316
+  198.0325 136739 54
+  199.04 468919.2 187
+  200.048 560157.8 224
+  207.0819 138175 55
+  211.0397 221572.4 88
+  219.0822 113612.5 45
+  222.0688 126769.9 50
+  235.0762 177567.4 71
+  245.0601 111311.8 44
+  246.0686 317398.9 126
+  247.0765 1017807.1 407
+  248.0836 181579.9 72
+  260.0838 68209.9 27
+  263.0715 198796.4 79
+  264.0793 132167.1 52
+  292.074 432718.3 173
+  293.0818 727539 291
+  303.066 142281.5 56
+//
diff --git a/Eawag/MSBNK-MLU-ED251501.txt b/Eawag/MSBNK-MLU-ED251501.txt
new file mode 100644
index 0000000000..587ad7ecc4
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED251501.txt
@@ -0,0 +1,51 @@
+ACCESSION: MSBNK-MLU-ED251501
+RECORD_TITLE: Monomethylaetokthonostatin; LC-ESI-QFT; MS2; CE: 15%; R=17500; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], M. Schwark [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 2515
+CH$NAME: Monomethylaetokthonostatin
+CH$NAME: (2S,3S)-N-((S)-1-(((3R,4S,5S)-3-methoxy-1-((S)-2-((1R,2R)-1-methoxy-3-(((2S,3S)-3-methoxy-1-phenylbutan-2-yl)amino)-2-methyl-3-oxopropyl)pyrrolidin-1-yl)-5-methyl-1-oxoheptan-4-yl)(methyl)amino)-3-methyl-1-oxobutan-2-yl)-3-methyl-2-(methylamino)pentanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C42H73N5O7
+CH$EXACT_MASS: 759.5509997
+CH$SMILES: C[C@H](OC)[C@@H](NC([C@H](C)[C@@H](OC)[C@@H]1CCCN1C(C[C@@H](OC)[C@H]([C@@H](C)CC)N(C)C([C@H](C(C)C)NC([C@@H](NC)[C@@H](C)CC)=O)=O)=O)=O)CC2=CC=CC=C2
+CH$IUPAC: InChI=1S/C42H73N5O7/c1-14-27(5)37(43-9)41(50)45-36(26(3)4)42(51)46(10)38(28(6)15-2)34(53-12)25-35(48)47-23-19-22-33(47)39(54-13)29(7)40(49)44-32(30(8)52-11)24-31-20-17-16-18-21-31/h16-18,20-21,26-30,32-34,36-39,43H,14-15,19,22-25H2,1-13H3,(H,44,49)(H,45,50)/t27-,28-,29+,30-,32-,33-,34+,36-,37-,38-,39+/m0/s1
+CH$LINK: INCHIKEY KDCAOWORTWHEIW-BFVPZQAKSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 53-795
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.911 min
+MS$FOCUSED_ION: BASE_PEAK 760.5576
+MS$FOCUSED_ION: PRECURSOR_M/Z 760.5583
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 393432892.84
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03di-0000010900-7373072b001c66b195e6
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  180.1382 C11H18NO+ 1 180.1383 -0.29
+  349.2486 C20H33N2O3+ 2 349.2486 0.05
+  534.3903 C30H52N3O5+ 3 534.3901 0.25
+  728.532 C41H70N5O6+ 1 728.5321 -0.12
+  760.5579 C42H74N5O7+ 1 760.5583 -0.52
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  180.1382 17877938 60
+  349.2486 11103787 37
+  534.3903 51210664 173
+  728.532 35145852 118
+  760.5579 295305856 999
+//
diff --git a/Eawag/MSBNK-MLU-ED251502.txt b/Eawag/MSBNK-MLU-ED251502.txt
new file mode 100644
index 0000000000..6a5678d540
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED251502.txt
@@ -0,0 +1,71 @@
+ACCESSION: MSBNK-MLU-ED251502
+RECORD_TITLE: Monomethylaetokthonostatin; LC-ESI-QFT; MS2; CE: 20%; R=17500; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], M. Schwark [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 2515
+CH$NAME: Monomethylaetokthonostatin
+CH$NAME: (2S,3S)-N-((S)-1-(((3R,4S,5S)-3-methoxy-1-((S)-2-((1R,2R)-1-methoxy-3-(((2S,3S)-3-methoxy-1-phenylbutan-2-yl)amino)-2-methyl-3-oxopropyl)pyrrolidin-1-yl)-5-methyl-1-oxoheptan-4-yl)(methyl)amino)-3-methyl-1-oxobutan-2-yl)-3-methyl-2-(methylamino)pentanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C42H73N5O7
+CH$EXACT_MASS: 759.5509997
+CH$SMILES: C[C@H](OC)[C@@H](NC([C@H](C)[C@@H](OC)[C@@H]1CCCN1C(C[C@@H](OC)[C@H]([C@@H](C)CC)N(C)C([C@H](C(C)C)NC([C@@H](NC)[C@@H](C)CC)=O)=O)=O)=O)CC2=CC=CC=C2
+CH$IUPAC: InChI=1S/C42H73N5O7/c1-14-27(5)37(43-9)41(50)45-36(26(3)4)42(51)46(10)38(28(6)15-2)34(53-12)25-35(48)47-23-19-22-33(47)39(54-13)29(7)40(49)44-32(30(8)52-11)24-31-20-17-16-18-21-31/h16-18,20-21,26-30,32-34,36-39,43H,14-15,19,22-25H2,1-13H3,(H,44,49)(H,45,50)/t27-,28-,29+,30-,32-,33-,34+,36-,37-,38-,39+/m0/s1
+CH$LINK: INCHIKEY KDCAOWORTWHEIW-BFVPZQAKSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 53-795
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.911 min
+MS$FOCUSED_ION: BASE_PEAK 760.5576
+MS$FOCUSED_ION: PRECURSOR_M/Z 760.5583
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 393432892.84
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-01si-0501020900-a883862fecd9a98f89df
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  100.112 C6H14N+ 1 100.1121 -0.56
+  148.1121 C10H14N+ 1 148.1121 0.07
+  154.1228 C9H16NO+ 1 154.1226 0.92
+  180.1383 C11H18NO+ 1 180.1383 -0.12
+  199.1804 C11H23N2O+ 1 199.1805 -0.3
+  227.1752 C12H23N2O2+ 1 227.1754 -0.69
+  349.2486 C20H33N2O3+ 2 349.2486 0.05
+  471.3221 C28H43N2O4+ 3 471.3217 0.81
+  502.3638 C29H48N3O4+ 2 502.3639 -0.17
+  503.3479 C29H47N2O5+ 2 503.3479 -0.06
+  534.3903 C30H52N3O5+ 3 534.3901 0.37
+  633.4586 C35H61N4O6+ 3 633.4586 0.09
+  696.5052 C40H66N5O5+ 2 696.5058 -0.91
+  728.5317 C41H70N5O6+ 1 728.5321 -0.46
+  760.558 C42H74N5O7+ 1 760.5583 -0.36
+PK$NUM_PEAK: 15
+PK$PEAK: m/z int. rel.int.
+  100.112 5435439.5 44
+  148.1121 2718232.5 22
+  154.1228 2420613.8 20
+  180.1383 120835168 999
+  199.1804 1814491.9 15
+  227.1752 3691744.8 30
+  349.2486 33265466 275
+  471.3221 4931134 40
+  502.3638 2234572 18
+  503.3479 1904690.6 15
+  534.3903 61552984 508
+  633.4586 10682598 88
+  696.5052 3604419.2 29
+  728.5317 118182248 977
+  760.558 92971976 768
+//
diff --git a/Eawag/MSBNK-MLU-ED251503.txt b/Eawag/MSBNK-MLU-ED251503.txt
new file mode 100644
index 0000000000..1365db25e2
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED251503.txt
@@ -0,0 +1,83 @@
+ACCESSION: MSBNK-MLU-ED251503
+RECORD_TITLE: Monomethylaetokthonostatin; LC-ESI-QFT; MS2; CE: 25%; R=17500; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], M. Schwark [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 2515
+CH$NAME: Monomethylaetokthonostatin
+CH$NAME: (2S,3S)-N-((S)-1-(((3R,4S,5S)-3-methoxy-1-((S)-2-((1R,2R)-1-methoxy-3-(((2S,3S)-3-methoxy-1-phenylbutan-2-yl)amino)-2-methyl-3-oxopropyl)pyrrolidin-1-yl)-5-methyl-1-oxoheptan-4-yl)(methyl)amino)-3-methyl-1-oxobutan-2-yl)-3-methyl-2-(methylamino)pentanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C42H73N5O7
+CH$EXACT_MASS: 759.5509997
+CH$SMILES: C[C@H](OC)[C@@H](NC([C@H](C)[C@@H](OC)[C@@H]1CCCN1C(C[C@@H](OC)[C@H]([C@@H](C)CC)N(C)C([C@H](C(C)C)NC([C@@H](NC)[C@@H](C)CC)=O)=O)=O)=O)CC2=CC=CC=C2
+CH$IUPAC: InChI=1S/C42H73N5O7/c1-14-27(5)37(43-9)41(50)45-36(26(3)4)42(51)46(10)38(28(6)15-2)34(53-12)25-35(48)47-23-19-22-33(47)39(54-13)29(7)40(49)44-32(30(8)52-11)24-31-20-17-16-18-21-31/h16-18,20-21,26-30,32-34,36-39,43H,14-15,19,22-25H2,1-13H3,(H,44,49)(H,45,50)/t27-,28-,29+,30-,32-,33-,34+,36-,37-,38-,39+/m0/s1
+CH$LINK: INCHIKEY KDCAOWORTWHEIW-BFVPZQAKSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 53-795
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.911 min
+MS$FOCUSED_ION: BASE_PEAK 760.5576
+MS$FOCUSED_ION: PRECURSOR_M/Z 760.5583
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 393432892.84
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-003r-0900000400-56bd1b2d57cbde5b2319
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  100.1121 C6H14N+ 1 100.1121 -0.03
+  131.0856 C10H11+ 1 131.0855 0.19
+  148.1121 C10H14N+ 1 148.1121 -0.03
+  154.1226 C9H16NO+ 1 154.1226 -0.07
+  170.1175 C9H16NO2+ 1 170.1176 -0.43
+  180.1383 C11H18NO+ 1 180.1383 -0.2
+  186.1486 C10H20NO2+ 1 186.1489 -1.14
+  199.1804 C11H23N2O+ 1 199.1805 -0.3
+  227.1752 C12H23N2O2+ 1 227.1754 -0.69
+  349.2485 C20H33N2O3+ 2 349.2486 -0.13
+  439.2956 C27H39N2O3+ 2 439.2955 0.09
+  471.3218 C28H43N2O4+ 2 471.3217 0.16
+  502.3635 C29H48N3O4+ 3 502.3639 -0.96
+  503.3476 C29H47N2O5+ 2 503.3479 -0.67
+  530.359 C30H48N3O5+ 3 530.3588 0.36
+  534.3904 C30H52N3O5+ 3 534.3901 0.48
+  601.4315 C34H57N4O5+ 2 601.4323 -1.35
+  633.4583 C35H61N4O6+ 3 633.4586 -0.39
+  696.5065 C40H66N5O5+ 2 696.5058 0.93
+  728.5316 C41H70N5O6+ 1 728.5321 -0.62
+  760.5579 C42H74N5O7+ 1 760.5583 -0.44
+PK$NUM_PEAK: 21
+PK$PEAK: m/z int. rel.int.
+  100.1121 21845482 109
+  131.0856 3023510 15
+  148.1121 13267049 66
+  154.1226 13896338 69
+  170.1175 3904203.2 19
+  180.1383 199752384 999
+  186.1486 3251131.5 16
+  199.1804 6290453 31
+  227.1752 4276466 21
+  349.2485 17782792 88
+  439.2956 8547507 42
+  471.3218 19642658 98
+  502.3635 2806549.5 14
+  503.3476 2070920.6 10
+  530.359 3353309 16
+  534.3904 14219193 71
+  601.4315 2448296.5 12
+  633.4583 9524546 47
+  696.5065 5951550 29
+  728.5316 118705688 593
+  760.5579 8329581.5 41
+//
diff --git a/Eawag/MSBNK-MLU-ED251504.txt b/Eawag/MSBNK-MLU-ED251504.txt
new file mode 100644
index 0000000000..ee3b57b337
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED251504.txt
@@ -0,0 +1,89 @@
+ACCESSION: MSBNK-MLU-ED251504
+RECORD_TITLE: Monomethylaetokthonostatin; LC-ESI-QFT; MS2; CE: 30%; R=17500; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], M. Schwark [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 2515
+CH$NAME: Monomethylaetokthonostatin
+CH$NAME: (2S,3S)-N-((S)-1-(((3R,4S,5S)-3-methoxy-1-((S)-2-((1R,2R)-1-methoxy-3-(((2S,3S)-3-methoxy-1-phenylbutan-2-yl)amino)-2-methyl-3-oxopropyl)pyrrolidin-1-yl)-5-methyl-1-oxoheptan-4-yl)(methyl)amino)-3-methyl-1-oxobutan-2-yl)-3-methyl-2-(methylamino)pentanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C42H73N5O7
+CH$EXACT_MASS: 759.5509997
+CH$SMILES: C[C@H](OC)[C@@H](NC([C@H](C)[C@@H](OC)[C@@H]1CCCN1C(C[C@@H](OC)[C@H]([C@@H](C)CC)N(C)C([C@H](C(C)C)NC([C@@H](NC)[C@@H](C)CC)=O)=O)=O)=O)CC2=CC=CC=C2
+CH$IUPAC: InChI=1S/C42H73N5O7/c1-14-27(5)37(43-9)41(50)45-36(26(3)4)42(51)46(10)38(28(6)15-2)34(53-12)25-35(48)47-23-19-22-33(47)39(54-13)29(7)40(49)44-32(30(8)52-11)24-31-20-17-16-18-21-31/h16-18,20-21,26-30,32-34,36-39,43H,14-15,19,22-25H2,1-13H3,(H,44,49)(H,45,50)/t27-,28-,29+,30-,32-,33-,34+,36-,37-,38-,39+/m0/s1
+CH$LINK: INCHIKEY KDCAOWORTWHEIW-BFVPZQAKSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 53-795
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.911 min
+MS$FOCUSED_ION: BASE_PEAK 760.5576
+MS$FOCUSED_ION: PRECURSOR_M/Z 760.5583
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 393432892.84
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-001i-0900100100-fcf216897d95b5e9a058
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  91.0538 C7H7+ 1 91.0542 -4.9
+  100.1121 C6H14N+ 1 100.1121 -0.03
+  123.0804 C8H11O+ 1 123.0804 -0.48
+  131.0855 C10H11+ 1 131.0855 -0.04
+  138.0913 C8H12NO+ 1 138.0913 -0.32
+  148.1121 C10H14N+ 1 148.1121 -0.03
+  154.1226 C9H16NO+ 1 154.1226 -0.17
+  163.1117 C11H15O+ 1 163.1117 -0.1
+  170.1176 C9H16NO2+ 1 170.1176 0.1
+  180.1383 C11H18NO+ 1 180.1383 -0.2
+  186.1487 C10H20NO2+ 1 186.1489 -0.65
+  199.1804 C11H23N2O+ 1 199.1805 -0.53
+  227.1754 C12H23N2O2+ 1 227.1754 -0.15
+  234.1853 C15H24NO+ 1 234.1852 0.23
+  260.1646 C16H22NO2+ 1 260.1645 0.33
+  292.1908 C17H26NO3+ 2 292.1907 0.29
+  349.2486 C20H33N2O3+ 2 349.2486 -0.04
+  439.2955 C27H39N2O3+ 2 439.2955 0.02
+  471.3217 C28H43N2O4+ 2 471.3217 0.03
+  530.359 C30H48N3O5+ 3 530.3588 0.36
+  601.4314 C34H57N4O5+ 2 601.4323 -1.56
+  633.4583 C35H61N4O6+ 3 633.4586 -0.49
+  696.5061 C40H66N5O5+ 2 696.5058 0.4
+  728.5317 C41H70N5O6+ 1 728.5321 -0.54
+PK$NUM_PEAK: 24
+PK$PEAK: m/z int. rel.int.
+  91.0538 5979581 30
+  100.1121 55918524 284
+  123.0804 5059858 25
+  131.0855 11432653 58
+  138.0913 4926813.5 25
+  148.1121 44918712 228
+  154.1226 39278256 200
+  163.1117 4627314 23
+  170.1176 8489656 43
+  180.1383 196017264 999
+  186.1487 6779338.5 34
+  199.1804 8468974 43
+  227.1754 2581558.2 13
+  234.1853 2275031.5 11
+  260.1646 9330480 47
+  292.1908 7414954.5 37
+  349.2486 4218158.5 21
+  439.2955 32201134 164
+  471.3217 35543700 181
+  530.359 7082132 36
+  601.4314 2297488 11
+  633.4583 3757862 19
+  696.5061 4989068 25
+  728.5317 67804296 345
+//
diff --git a/Eawag/MSBNK-MLU-ED251505.txt b/Eawag/MSBNK-MLU-ED251505.txt
new file mode 100644
index 0000000000..de2166b8b9
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED251505.txt
@@ -0,0 +1,127 @@
+ACCESSION: MSBNK-MLU-ED251505
+RECORD_TITLE: Monomethylaetokthonostatin; LC-ESI-QFT; MS2; CE: 40%; R=17500; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], M. Schwark [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 2515
+CH$NAME: Monomethylaetokthonostatin
+CH$NAME: (2S,3S)-N-((S)-1-(((3R,4S,5S)-3-methoxy-1-((S)-2-((1R,2R)-1-methoxy-3-(((2S,3S)-3-methoxy-1-phenylbutan-2-yl)amino)-2-methyl-3-oxopropyl)pyrrolidin-1-yl)-5-methyl-1-oxoheptan-4-yl)(methyl)amino)-3-methyl-1-oxobutan-2-yl)-3-methyl-2-(methylamino)pentanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C42H73N5O7
+CH$EXACT_MASS: 759.5509997
+CH$SMILES: C[C@H](OC)[C@@H](NC([C@H](C)[C@@H](OC)[C@@H]1CCCN1C(C[C@@H](OC)[C@H]([C@@H](C)CC)N(C)C([C@H](C(C)C)NC([C@@H](NC)[C@@H](C)CC)=O)=O)=O)=O)CC2=CC=CC=C2
+CH$IUPAC: InChI=1S/C42H73N5O7/c1-14-27(5)37(43-9)41(50)45-36(26(3)4)42(51)46(10)38(28(6)15-2)34(53-12)25-35(48)47-23-19-22-33(47)39(54-13)29(7)40(49)44-32(30(8)52-11)24-31-20-17-16-18-21-31/h16-18,20-21,26-30,32-34,36-39,43H,14-15,19,22-25H2,1-13H3,(H,44,49)(H,45,50)/t27-,28-,29+,30-,32-,33-,34+,36-,37-,38-,39+/m0/s1
+CH$LINK: INCHIKEY KDCAOWORTWHEIW-BFVPZQAKSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 53-795
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.911 min
+MS$FOCUSED_ION: BASE_PEAK 760.5576
+MS$FOCUSED_ION: PRECURSOR_M/Z 760.5583
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 393432892.84
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0ue9-1900000000-6275261cd5aa61c5887b
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  56.0496 C3H6N+ 1 56.0495 1.78
+  57.0701 C4H9+ 1 57.0699 3.34
+  59.0493 C3H7O+ 1 59.0491 3.01
+  67.0544 C5H7+ 1 67.0542 3.2
+  69.07 C5H9+ 1 69.0699 2.37
+  70.0652 C4H8N+ 1 70.0651 1.21
+  72.0809 C4H10N+ 1 72.0808 1.56
+  91.0542 C7H7+ 1 91.0542 -0.71
+  93.0698 C7H9+ 1 93.0699 -1.08
+  95.0856 C7H11+ 1 95.0855 0.25
+  97.1011 C7H13+ 1 97.1012 -0.62
+  98.06 C5H8NO+ 1 98.06 -0.54
+  100.1121 C6H14N+ 1 100.1121 0.05
+  110.0966 C7H12N+ 1 110.0964 1.3
+  112.1121 C7H14N+ 1 112.1121 0
+  121.0647 C8H9O+ 1 121.0648 -0.87
+  123.0805 C8H11O+ 1 123.0804 0.21
+  131.0855 C10H11+ 1 131.0855 -0.04
+  136.0757 C8H10NO+ 1 136.0757 -0.05
+  138.0913 C8H12NO+ 1 138.0913 -0.21
+  148.1121 C10H14N+ 1 148.1121 -0.13
+  152.107 C9H14NO+ 1 152.107 -0.01
+  154.1226 C9H16NO+ 1 154.1226 -0.07
+  155.1067 C9H15O2+ 1 155.1067 0.28
+  163.1117 C11H15O+ 1 163.1117 -0.01
+  168.1017 C9H14NO2+ 1 168.1019 -1.02
+  170.1175 C9H16NO2+ 1 170.1176 -0.08
+  174.0913 C11H12NO+ 1 174.0913 -0.4
+  176.1072 C11H14NO+ 1 176.107 0.94
+  180.1382 C11H18NO+ 1 180.1383 -0.29
+  186.1488 C10H20NO2+ 1 186.1489 -0.48
+  194.1539 C12H20NO+ 1 194.1539 -0.21
+  199.1801 C11H23N2O+ 2 199.1805 -1.75
+  204.1382 C13H18NO+ 1 204.1383 -0.61
+  206.1171 C12H16NO2+ 2 206.1176 -2.18
+  208.133 C12H18NO2+ 1 208.1332 -0.81
+  232.1696 C15H22NO+ 1 232.1696 -0.15
+  234.1852 C15H24NO+ 1 234.1852 -0.22
+  260.1645 C16H22NO2+ 1 260.1645 -0.14
+  292.1905 C17H26NO3+ 2 292.1907 -0.65
+  439.2954 C27H39N2O3+ 2 439.2955 -0.26
+  471.3221 C28H43N2O4+ 2 471.3217 0.68
+  728.5342 C41H70N5O6+ 1 728.5321 2.98
+PK$NUM_PEAK: 43
+PK$PEAK: m/z int. rel.int.
+  56.0496 1041456.3 10
+  57.0701 1843877.6 18
+  59.0493 2368197.5 23
+  67.0544 1509953.8 14
+  69.07 3001735.5 29
+  70.0652 2018428.2 19
+  72.0809 2261308 22
+  91.0542 24163264 236
+  93.0698 1397642.9 13
+  95.0856 10990703 107
+  97.1011 1045255.6 10
+  98.06 2914131.2 28
+  100.1121 102227424 999
+  110.0966 1985049.1 19
+  112.1121 3413281.5 33
+  121.0647 2063193 20
+  123.0805 20113488 196
+  131.0855 37301436 364
+  136.0757 8247135 80
+  138.0913 20510374 200
+  148.1121 79128288 773
+  152.107 3578211.5 34
+  154.1226 60970556 595
+  155.1067 1499488.9 14
+  163.1117 8416517 82
+  168.1017 1671371.2 16
+  170.1175 11419609 111
+  174.0913 4992792 48
+  176.1072 4060833.2 39
+  180.1382 77046832 752
+  186.1488 7295607.5 71
+  194.1539 1807510.9 17
+  199.1801 2925929 28
+  204.1382 2607875.2 25
+  206.1171 1577164.6 15
+  208.133 4305370 42
+  232.1696 7913921.5 77
+  234.1852 6539982 63
+  260.1645 18355508 179
+  292.1905 6542467.5 63
+  439.2954 19333082 188
+  471.3221 5277472.5 51
+  728.5342 1689915 16
+//
diff --git a/Eawag/MSBNK-MLU-ED251506.txt b/Eawag/MSBNK-MLU-ED251506.txt
new file mode 100644
index 0000000000..47bf2bac52
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED251506.txt
@@ -0,0 +1,137 @@
+ACCESSION: MSBNK-MLU-ED251506
+RECORD_TITLE: Monomethylaetokthonostatin; LC-ESI-QFT; MS2; CE: 50%; R=17500; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], M. Schwark [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 2515
+CH$NAME: Monomethylaetokthonostatin
+CH$NAME: (2S,3S)-N-((S)-1-(((3R,4S,5S)-3-methoxy-1-((S)-2-((1R,2R)-1-methoxy-3-(((2S,3S)-3-methoxy-1-phenylbutan-2-yl)amino)-2-methyl-3-oxopropyl)pyrrolidin-1-yl)-5-methyl-1-oxoheptan-4-yl)(methyl)amino)-3-methyl-1-oxobutan-2-yl)-3-methyl-2-(methylamino)pentanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C42H73N5O7
+CH$EXACT_MASS: 759.5509997
+CH$SMILES: C[C@H](OC)[C@@H](NC([C@H](C)[C@@H](OC)[C@@H]1CCCN1C(C[C@@H](OC)[C@H]([C@@H](C)CC)N(C)C([C@H](C(C)C)NC([C@@H](NC)[C@@H](C)CC)=O)=O)=O)=O)CC2=CC=CC=C2
+CH$IUPAC: InChI=1S/C42H73N5O7/c1-14-27(5)37(43-9)41(50)45-36(26(3)4)42(51)46(10)38(28(6)15-2)34(53-12)25-35(48)47-23-19-22-33(47)39(54-13)29(7)40(49)44-32(30(8)52-11)24-31-20-17-16-18-21-31/h16-18,20-21,26-30,32-34,36-39,43H,14-15,19,22-25H2,1-13H3,(H,44,49)(H,45,50)/t27-,28-,29+,30-,32-,33-,34+,36-,37-,38-,39+/m0/s1
+CH$LINK: INCHIKEY KDCAOWORTWHEIW-BFVPZQAKSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 53-795
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.911 min
+MS$FOCUSED_ION: BASE_PEAK 760.5576
+MS$FOCUSED_ION: PRECURSOR_M/Z 760.5583
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 393432892.84
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0udj-3900000000-fc5ce20810c074ed1064
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  56.0497 C3H6N+ 1 56.0495 4.57
+  57.0701 C4H9+ 1 57.0699 4.61
+  59.0494 C3H7O+ 1 59.0491 4.5
+  67.0544 C5H7+ 1 67.0542 2.97
+  69.0336 C4H5O+ 1 69.0335 2.17
+  69.07 C5H9+ 1 69.0699 2.37
+  70.0653 C4H8N+ 1 70.0651 2.08
+  71.0731 C4H9N+ 1 71.073 1.54
+  72.0809 C4H10N+ 1 72.0808 1.45
+  81.0699 C6H9+ 1 81.0699 -0.14
+  91.0542 C7H7+ 1 91.0542 0.13
+  93.0699 C7H9+ 1 93.0699 0.15
+  95.0856 C7H11+ 1 95.0855 0.25
+  96.0444 C5H6NO+ 1 96.0444 0.48
+  97.1011 C7H13+ 1 97.1012 -0.46
+  98.0601 C5H8NO+ 1 98.06 0.23
+  100.1121 C6H14N+ 1 100.1121 -0.03
+  105.07 C8H9+ 1 105.0699 0.82
+  110.0965 C7H12N+ 1 110.0964 0.54
+  111.0806 C7H11O+ 1 111.0804 1.86
+  112.0755 C6H10NO+ 1 112.0757 -1.76
+  112.112 C7H14N+ 1 112.1121 -0.34
+  120.0807 C8H10N+ 1 120.0808 -0.27
+  121.0647 C8H9O+ 1 121.0648 -0.37
+  123.0805 C8H11O+ 1 123.0804 0.14
+  126.1277 C8H16N+ 1 126.1277 0.07
+  131.0855 C10H11+ 1 131.0855 0.07
+  136.0757 C8H10NO+ 1 136.0757 0.06
+  138.0913 C8H12NO+ 1 138.0913 -0.32
+  148.112 C10H14N+ 1 148.1121 -0.23
+  152.1069 C9H14NO+ 1 152.107 -0.31
+  154.1226 C9H16NO+ 1 154.1226 -0.27
+  155.1067 C9H15O2+ 1 155.1067 0.38
+  163.1118 C11H15O+ 1 163.1117 0.08
+  168.1019 C9H14NO2+ 1 168.1019 -0.12
+  170.1175 C9H16NO2+ 1 170.1176 -0.35
+  174.0913 C11H12NO+ 1 174.0913 0.03
+  176.1072 C11H14NO+ 1 176.107 0.94
+  180.1382 C11H18NO+ 1 180.1383 -0.29
+  186.1488 C10H20NO2+ 1 186.1489 -0.24
+  194.1541 C12H20NO+ 1 194.1539 0.96
+  204.1385 C13H18NO+ 1 204.1383 1.11
+  206.1172 C12H16NO2+ 2 206.1176 -1.58
+  208.1332 C12H18NO2+ 1 208.1332 -0.23
+  232.1694 C15H22NO+ 2 232.1696 -0.94
+  234.1853 C15H24NO+ 1 234.1852 0.23
+  260.1645 C16H22NO2+ 1 260.1645 0.09
+  292.1903 C17H26NO3+ 2 292.1907 -1.38
+PK$NUM_PEAK: 48
+PK$PEAK: m/z int. rel.int.
+  56.0497 1789771.9 17
+  57.0701 2797236.5 27
+  59.0494 3729416 36
+  67.0544 5497529.5 53
+  69.0336 1386303.1 13
+  69.07 6542994 63
+  70.0653 3972609 38
+  71.0731 1676140.8 16
+  72.0809 3693288.2 35
+  81.0699 1320371.8 12
+  91.0542 53323140 518
+  93.0699 4656464 45
+  95.0856 27548312 268
+  96.0444 2240479.2 21
+  97.1011 1806182.2 17
+  98.0601 8118515 79
+  100.1121 102639384 999
+  105.07 1264371 12
+  110.0965 4547590 44
+  111.0806 1082462.5 10
+  112.0755 1294035.8 12
+  112.112 3934810.5 38
+  120.0807 1675898.4 16
+  121.0647 2851877.2 27
+  123.0805 19010832 185
+  126.1277 1630952.9 15
+  131.0855 43862736 426
+  136.0757 7960210 77
+  138.0913 23940888 233
+  148.112 55888584 543
+  152.1069 4303102.5 41
+  154.1226 43804800 426
+  155.1067 1073111.5 10
+  163.1118 3458188.2 33
+  168.1019 1587177.6 15
+  170.1175 6992512.5 68
+  174.0913 5636974.5 54
+  176.1072 4540083.5 44
+  180.1382 15504596 150
+  186.1488 3263822.2 31
+  194.1541 1297549 12
+  204.1385 1610171.2 15
+  206.1172 1070461 10
+  208.1332 3491932.2 33
+  232.1694 5498713 53
+  234.1853 2555968.5 24
+  260.1645 4512101.5 43
+  292.1903 1032367.1 10
+//
diff --git a/Eawag/MSBNK-MLU-ED251507.txt b/Eawag/MSBNK-MLU-ED251507.txt
new file mode 100644
index 0000000000..6f738523fc
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED251507.txt
@@ -0,0 +1,137 @@
+ACCESSION: MSBNK-MLU-ED251507
+RECORD_TITLE: Monomethylaetokthonostatin; LC-ESI-QFT; MS2; CE: 60%; R=17500; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], M. Schwark [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 2515
+CH$NAME: Monomethylaetokthonostatin
+CH$NAME: (2S,3S)-N-((S)-1-(((3R,4S,5S)-3-methoxy-1-((S)-2-((1R,2R)-1-methoxy-3-(((2S,3S)-3-methoxy-1-phenylbutan-2-yl)amino)-2-methyl-3-oxopropyl)pyrrolidin-1-yl)-5-methyl-1-oxoheptan-4-yl)(methyl)amino)-3-methyl-1-oxobutan-2-yl)-3-methyl-2-(methylamino)pentanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C42H73N5O7
+CH$EXACT_MASS: 759.5509997
+CH$SMILES: C[C@H](OC)[C@@H](NC([C@H](C)[C@@H](OC)[C@@H]1CCCN1C(C[C@@H](OC)[C@H]([C@@H](C)CC)N(C)C([C@H](C(C)C)NC([C@@H](NC)[C@@H](C)CC)=O)=O)=O)=O)CC2=CC=CC=C2
+CH$IUPAC: InChI=1S/C42H73N5O7/c1-14-27(5)37(43-9)41(50)45-36(26(3)4)42(51)46(10)38(28(6)15-2)34(53-12)25-35(48)47-23-19-22-33(47)39(54-13)29(7)40(49)44-32(30(8)52-11)24-31-20-17-16-18-21-31/h16-18,20-21,26-30,32-34,36-39,43H,14-15,19,22-25H2,1-13H3,(H,44,49)(H,45,50)/t27-,28-,29+,30-,32-,33-,34+,36-,37-,38-,39+/m0/s1
+CH$LINK: INCHIKEY KDCAOWORTWHEIW-BFVPZQAKSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 53-795
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.911 min
+MS$FOCUSED_ION: BASE_PEAK 760.5576
+MS$FOCUSED_ION: PRECURSOR_M/Z 760.5583
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 393432892.84
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0udm-6900000000-57f10a57eb2311ed6b53
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  58.0654 C3H8N+ 1 58.0651 4.89
+  59.0494 C3H7O+ 1 59.0491 4.63
+  65.0387 C5H5+ 1 65.0386 2.56
+  67.0544 C5H7+ 1 67.0542 2.97
+  69.0337 C4H5O+ 1 69.0335 3.27
+  69.07 C5H9+ 1 69.0699 2.26
+  70.0653 C4H8N+ 1 70.0651 1.86
+  71.0731 C4H9N+ 1 71.073 1.76
+  72.0809 C4H10N+ 1 72.0808 1.66
+  79.0543 C6H7+ 1 79.0542 0.74
+  81.0699 C6H9+ 1 81.0699 0.14
+  82.0653 C5H8N+ 1 82.0651 1.57
+  84.0444 C4H6NO+ 1 84.0444 0.66
+  91.0543 C7H7+ 1 91.0542 0.3
+  93.0699 C7H9+ 1 93.0699 0.07
+  95.0856 C7H11+ 1 95.0855 0.33
+  96.0444 C5H6NO+ 1 96.0444 0.16
+  97.1012 C7H13+ 1 97.1012 0.32
+  98.0601 C5H8NO+ 1 98.06 0.39
+  100.1121 C6H14N+ 1 100.1121 0.05
+  105.0699 C8H9+ 1 105.0699 0.68
+  106.0652 C7H8N+ 1 106.0651 0.36
+  108.0806 C7H10N+ 1 108.0808 -1.43
+  110.0965 C7H12N+ 1 110.0964 0.33
+  111.0806 C7H11O+ 1 111.0804 1.31
+  112.0757 C6H10NO+ 1 112.0757 -0.26
+  112.1121 C7H14N+ 1 112.1121 0.14
+  120.0808 C8H10N+ 1 120.0808 0.24
+  121.0647 C8H9O+ 1 121.0648 -0.75
+  123.0805 C8H11O+ 1 123.0804 0.21
+  126.1278 C8H16N+ 1 126.1277 0.8
+  129.0701 C10H9+ 1 129.0699 1.45
+  131.0856 C10H11+ 1 131.0855 0.19
+  136.0757 C8H10NO+ 1 136.0757 0.06
+  137.1073 C8H13N2+ 1 137.1073 -0.4
+  138.0913 C8H12NO+ 1 138.0913 -0.21
+  148.1121 C10H14N+ 1 148.1121 -0.13
+  152.1071 C9H14NO+ 1 152.107 0.79
+  154.1226 C9H16NO+ 1 154.1226 -0.07
+  163.1118 C11H15O+ 1 163.1117 0.27
+  168.1018 C9H14NO2+ 1 168.1019 -0.84
+  170.1175 C9H16NO2+ 1 170.1176 -0.08
+  174.0912 C11H12NO+ 1 174.0913 -0.58
+  176.1071 C11H14NO+ 1 176.107 0.42
+  180.1382 C11H18NO+ 1 180.1383 -0.29
+  186.1488 C10H20NO2+ 1 186.1489 -0.32
+  208.1332 C12H18NO2+ 1 208.1332 -0.23
+  232.1692 C15H22NO+ 2 232.1696 -1.59
+PK$NUM_PEAK: 48
+PK$PEAK: m/z int. rel.int.
+  58.0654 4499538.5 43
+  59.0494 3983343.8 38
+  65.0387 1552067.8 15
+  67.0544 12368428 120
+  69.0337 1737478.5 16
+  69.07 11550221 112
+  70.0653 6319775.5 61
+  71.0731 3106886 30
+  72.0809 4718660.5 45
+  79.0543 1199207.5 11
+  81.0699 2464128 23
+  82.0653 1602954.5 15
+  84.0444 1188759.1 11
+  91.0543 81543744 793
+  93.0699 7560822 73
+  95.0856 38372368 373
+  96.0444 3389402.8 33
+  97.1012 1903076.9 18
+  98.0601 13733762 133
+  100.1121 102601904 999
+  105.0699 2064709.8 20
+  106.0652 1778894.9 17
+  108.0806 1171546.4 11
+  110.0965 7390303.5 71
+  111.0806 1219587.4 11
+  112.0757 2275866.2 22
+  112.1121 3419294 33
+  120.0808 2036856.8 19
+  121.0647 1982956.2 19
+  123.0805 11309512 110
+  126.1278 2696096.2 26
+  129.0701 1473690.6 14
+  131.0856 39283416 382
+  136.0757 6563915 63
+  137.1073 1098343.6 10
+  138.0913 21669008 210
+  148.1121 33500670 326
+  152.1071 3048789.5 29
+  154.1226 29112950 283
+  163.1118 1062495.8 10
+  168.1018 1251361 12
+  170.1175 4514704.5 43
+  174.0912 4377861 42
+  176.1071 2705274.8 26
+  180.1382 2614489.5 25
+  186.1488 1711728.9 16
+  208.1332 1493766.4 14
+  232.1692 2118584.2 20
+//
diff --git a/Eawag/MSBNK-MLU-ED251508.txt b/Eawag/MSBNK-MLU-ED251508.txt
new file mode 100644
index 0000000000..8a30799db2
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED251508.txt
@@ -0,0 +1,139 @@
+ACCESSION: MSBNK-MLU-ED251508
+RECORD_TITLE: Monomethylaetokthonostatin; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], M. Schwark [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 2515
+CH$NAME: Monomethylaetokthonostatin
+CH$NAME: (2S,3S)-N-((S)-1-(((3R,4S,5S)-3-methoxy-1-((S)-2-((1R,2R)-1-methoxy-3-(((2S,3S)-3-methoxy-1-phenylbutan-2-yl)amino)-2-methyl-3-oxopropyl)pyrrolidin-1-yl)-5-methyl-1-oxoheptan-4-yl)(methyl)amino)-3-methyl-1-oxobutan-2-yl)-3-methyl-2-(methylamino)pentanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C42H73N5O7
+CH$EXACT_MASS: 759.5509997
+CH$SMILES: C[C@H](OC)[C@@H](NC([C@H](C)[C@@H](OC)[C@@H]1CCCN1C(C[C@@H](OC)[C@H]([C@@H](C)CC)N(C)C([C@H](C(C)C)NC([C@@H](NC)[C@@H](C)CC)=O)=O)=O)=O)CC2=CC=CC=C2
+CH$IUPAC: InChI=1S/C42H73N5O7/c1-14-27(5)37(43-9)41(50)45-36(26(3)4)42(51)46(10)38(28(6)15-2)34(53-12)25-35(48)47-23-19-22-33(47)39(54-13)29(7)40(49)44-32(30(8)52-11)24-31-20-17-16-18-21-31/h16-18,20-21,26-30,32-34,36-39,43H,14-15,19,22-25H2,1-13H3,(H,44,49)(H,45,50)/t27-,28-,29+,30-,32-,33-,34+,36-,37-,38-,39+/m0/s1
+CH$LINK: INCHIKEY KDCAOWORTWHEIW-BFVPZQAKSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 53-795
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.911 min
+MS$FOCUSED_ION: BASE_PEAK 760.5576
+MS$FOCUSED_ION: PRECURSOR_M/Z 760.5583
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 393432892.84
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0udm-9700000000-b547beb8950aa071d2b4
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  58.0654 C3H8N+ 1 58.0651 4.76
+  59.0494 C3H7O+ 1 59.0491 4.82
+  65.0388 C5H5+ 1 65.0386 3.5
+  67.0544 C5H7+ 1 67.0542 3.2
+  68.0496 C4H6N+ 1 68.0495 1.53
+  69.0337 C4H5O+ 1 69.0335 3.38
+  69.0701 C5H9+ 1 69.0699 2.59
+  70.0653 C4H8N+ 1 70.0651 2.19
+  71.0731 C4H9N+ 1 71.073 2.19
+  72.081 C4H10N+ 1 72.0808 2.51
+  79.0542 C6H7+ 1 79.0542 -0.22
+  81.07 C6H9+ 1 81.0699 0.99
+  82.0652 C5H8N+ 1 82.0651 0.73
+  84.0443 C4H6NO+ 1 84.0444 -1.52
+  91.0542 C7H7+ 1 91.0542 0.13
+  93.0699 C7H9+ 1 93.0699 0.07
+  95.0492 C6H7O+ 1 95.0491 0.66
+  95.0855 C7H11+ 1 95.0855 0.09
+  96.0444 C5H6NO+ 1 96.0444 0.16
+  96.0808 C6H10N+ 1 96.0808 0.4
+  97.1011 C7H13+ 1 97.1012 -0.38
+  98.0601 C5H8NO+ 1 98.06 0.23
+  100.1121 C6H14N+ 1 100.1121 -0.1
+  105.0699 C8H9+ 1 105.0699 0.39
+  106.0651 C7H8N+ 1 106.0651 0.22
+  108.0808 C7H10N+ 1 108.0808 -0.15
+  110.0601 C6H8NO+ 1 110.06 0.68
+  110.0964 C7H12N+ 1 110.0964 0.19
+  112.0757 C6H10NO+ 1 112.0757 -0.13
+  112.1121 C7H14N+ 1 112.1121 -0.2
+  114.0914 C6H12NO+ 1 114.0913 0.31
+  116.062 C9H8+ 1 116.0621 -0.44
+  119.073 C8H9N+ 1 119.073 0.33
+  120.0808 C8H10N+ 1 120.0808 0.05
+  121.0647 C8H9O+ 1 121.0648 -0.56
+  123.0805 C8H11O+ 1 123.0804 0.14
+  125.0835 C7H11NO+ 1 125.0835 -0.02
+  126.1278 C8H16N+ 1 126.1277 0.37
+  129.0699 C10H9+ 1 129.0699 0.27
+  131.0855 C10H11+ 1 131.0855 -0.04
+  136.0757 C8H10NO+ 1 136.0757 -0.28
+  137.1072 C8H13N2+ 1 137.1073 -0.62
+  138.0913 C8H12NO+ 1 138.0913 -0.43
+  148.1121 C10H14N+ 1 148.1121 -0.13
+  152.1069 C9H14NO+ 1 152.107 -0.41
+  154.1226 C9H16NO+ 1 154.1226 -0.17
+  170.1173 C9H16NO2+ 1 170.1176 -1.33
+  174.0913 C11H12NO+ 1 174.0913 -0.32
+  176.1072 C11H14NO+ 1 176.107 1.11
+PK$NUM_PEAK: 49
+PK$PEAK: m/z int. rel.int.
+  58.0654 7811266.5 69
+  59.0494 4420162 39
+  65.0388 3716074.2 32
+  67.0544 22183908 196
+  68.0496 1352572.5 11
+  69.0337 2292055 20
+  69.0701 20489002 181
+  70.0653 9573983 84
+  71.0731 6141858.5 54
+  72.081 6931121.5 61
+  79.0542 2057232.4 18
+  81.07 4548398 40
+  82.0652 3298980.8 29
+  84.0443 1430094.4 12
+  91.0542 112906920 999
+  93.0699 9202701 81
+  95.0492 2605981 23
+  95.0855 42260792 373
+  96.0444 4087631 36
+  96.0808 1693929.9 14
+  97.1011 1344988.5 11
+  98.0601 20195376 178
+  100.1121 102496600 906
+  105.0699 2385630.5 21
+  106.0651 2938073.2 25
+  108.0808 2274618.2 20
+  110.0601 1243223.9 11
+  110.0964 12212450 108
+  112.0757 3334444 29
+  112.1121 3259877.2 28
+  114.0914 1380202.1 12
+  116.062 1795434.8 15
+  119.073 1604566.2 14
+  120.0808 2750975.8 24
+  121.0647 1975556 17
+  123.0805 6328125.5 55
+  125.0835 1320996.1 11
+  126.1278 3967536.5 35
+  129.0699 3367171.8 29
+  131.0855 32885630 290
+  136.0757 5393034.5 47
+  137.1072 1238045.1 10
+  138.0913 18699538 165
+  148.1121 17674112 156
+  152.1069 2010100.5 17
+  154.1226 17697626 156
+  170.1173 2668621.2 23
+  174.0913 3252342 28
+  176.1072 1918512.9 16
+//
diff --git a/Eawag/MSBNK-MLU-ED251509.txt b/Eawag/MSBNK-MLU-ED251509.txt
new file mode 100644
index 0000000000..a38bdf14bb
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED251509.txt
@@ -0,0 +1,125 @@
+ACCESSION: MSBNK-MLU-ED251509
+RECORD_TITLE: Monomethylaetokthonostatin; LC-ESI-QFT; MS2; CE: 80%; R=17500; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], M. Schwark [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 2515
+CH$NAME: Monomethylaetokthonostatin
+CH$NAME: (2S,3S)-N-((S)-1-(((3R,4S,5S)-3-methoxy-1-((S)-2-((1R,2R)-1-methoxy-3-(((2S,3S)-3-methoxy-1-phenylbutan-2-yl)amino)-2-methyl-3-oxopropyl)pyrrolidin-1-yl)-5-methyl-1-oxoheptan-4-yl)(methyl)amino)-3-methyl-1-oxobutan-2-yl)-3-methyl-2-(methylamino)pentanamide
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C42H73N5O7
+CH$EXACT_MASS: 759.5509997
+CH$SMILES: C[C@H](OC)[C@@H](NC([C@H](C)[C@@H](OC)[C@@H]1CCCN1C(C[C@@H](OC)[C@H]([C@@H](C)CC)N(C)C([C@H](C(C)C)NC([C@@H](NC)[C@@H](C)CC)=O)=O)=O)=O)CC2=CC=CC=C2
+CH$IUPAC: InChI=1S/C42H73N5O7/c1-14-27(5)37(43-9)41(50)45-36(26(3)4)42(51)46(10)38(28(6)15-2)34(53-12)25-35(48)47-23-19-22-33(47)39(54-13)29(7)40(49)44-32(30(8)52-11)24-31-20-17-16-18-21-31/h16-18,20-21,26-30,32-34,36-39,43H,14-15,19,22-25H2,1-13H3,(H,44,49)(H,45,50)/t27-,28-,29+,30-,32-,33-,34+,36-,37-,38-,39+/m0/s1
+CH$LINK: INCHIKEY KDCAOWORTWHEIW-BFVPZQAKSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 53-795
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 3.911 min
+MS$FOCUSED_ION: BASE_PEAK 760.5576
+MS$FOCUSED_ION: PRECURSOR_M/Z 760.5583
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 393432892.84
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0f6x-9500000000-d9829327e556a14f612a
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  65.0388 C5H5+ 1 65.0386 4.09
+  67.0544 C5H7+ 1 67.0542 3.2
+  68.0497 C4H6N+ 1 68.0495 2.88
+  69.0336 C4H5O+ 1 69.0335 2.28
+  69.0701 C5H9+ 1 69.0699 2.7
+  70.0653 C4H8N+ 1 70.0651 2.19
+  71.0731 C4H9N+ 1 71.073 2.4
+  72.0809 C4H10N+ 1 72.0808 2.19
+  79.0543 C6H7+ 1 79.0542 1.03
+  81.0699 C6H9+ 1 81.0699 0.89
+  82.0652 C5H8N+ 1 82.0651 1.1
+  84.0444 C4H6NO+ 1 84.0444 0.39
+  91.0543 C7H7+ 1 91.0542 0.38
+  93.0699 C7H9+ 1 93.0699 0.23
+  95.0492 C6H7O+ 1 95.0491 0.66
+  95.0856 C7H11+ 1 95.0855 0.33
+  96.0444 C5H6NO+ 1 96.0444 0.01
+  96.0807 C6H10N+ 1 96.0808 -0.48
+  97.0885 C6H11N+ 1 97.0886 -1.53
+  98.0601 C5H8NO+ 1 98.06 0.31
+  100.1121 C6H14N+ 1 100.1121 0.12
+  105.0699 C8H9+ 1 105.0699 0.61
+  106.0652 C7H8N+ 1 106.0651 0.51
+  108.0808 C7H10N+ 1 108.0808 -0.01
+  110.0601 C6H8NO+ 1 110.06 0.75
+  110.0965 C7H12N+ 1 110.0964 0.26
+  112.0758 C6H10NO+ 1 112.0757 0.55
+  112.1121 C7H14N+ 1 112.1121 0.41
+  114.0914 C6H12NO+ 1 114.0913 0.24
+  116.0624 C9H8+ 1 116.0621 2.98
+  119.0729 C8H9N+ 1 119.073 -0.19
+  120.0808 C8H10N+ 1 120.0808 -0.2
+  123.0805 C8H11O+ 1 123.0804 0.27
+  125.0834 C7H11NO+ 1 125.0835 -1.06
+  126.1277 C8H16N+ 1 126.1277 -0.17
+  129.0699 C10H9+ 1 129.0699 0.15
+  131.0856 C10H11+ 1 131.0855 0.19
+  136.0756 C8H10NO+ 1 136.0757 -0.73
+  138.0913 C8H12NO+ 1 138.0913 0.01
+  148.1121 C10H14N+ 1 148.1121 0.28
+  154.1226 C9H16NO+ 1 154.1226 0.03
+  174.0913 C11H12NO+ 1 174.0913 -0.4
+PK$NUM_PEAK: 42
+PK$PEAK: m/z int. rel.int.
+  65.0388 4138884.5 41
+  67.0544 22782148 230
+  68.0497 1704140.1 17
+  69.0336 1881324.5 19
+  69.0701 19072034 192
+  70.0653 10113762 102
+  71.0731 8602934 87
+  72.0809 6131718.5 62
+  79.0543 2548561 25
+  81.0699 3322160.5 33
+  82.0652 3583138.8 36
+  84.0444 1461538.5 14
+  91.0543 98784520 999
+  93.0699 7190209.5 72
+  95.0492 2487887.5 25
+  95.0856 24872990 251
+  96.0444 3026808.5 30
+  96.0807 2106475.2 21
+  97.0885 1818428.1 18
+  98.0601 15407367 155
+  100.1121 65917804 666
+  105.0699 2030452 20
+  106.0652 2420559.8 24
+  108.0808 1862071 18
+  110.0601 1072542.8 10
+  110.0965 11708492 118
+  112.0758 2136480.8 21
+  112.1121 2161099.5 21
+  114.0914 1209152.9 12
+  116.0624 1509467.8 15
+  119.0729 1911927.6 19
+  120.0808 2494657.2 25
+  123.0805 1666649.9 16
+  125.0834 1298028.1 13
+  126.1277 2418301.5 24
+  129.0699 3093771.2 31
+  131.0856 18459750 186
+  136.0756 2779134.8 28
+  138.0913 9272456 93
+  148.1121 6018711.5 60
+  154.1226 6130087 61
+  174.0913 1671793.4 16
+//
diff --git a/Eawag/MSBNK-MLU-ED251851.txt b/Eawag/MSBNK-MLU-ED251851.txt
new file mode 100644
index 0000000000..0956c3ff95
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED251851.txt
@@ -0,0 +1,47 @@
+ACCESSION: MSBNK-MLU-ED251851
+RECORD_TITLE: Tjipanazol L; LC-ESI-QFT; MS2; CE: 15%; R=17500; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], T. Chilczuk [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 2518
+CH$NAME: Tjipanazol L
+CH$NAME: 12,13-Dihydro-3,9-dichloro-5H-Indolo[2,3-a]pyrrolo[3,4-c]carbazole-5,7(6H)-dione
+CH$NAME: 3,9-Dichlor-12,13-dihydro-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazol-5,7(6H)-dion
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C20H9Cl2N3O2
+CH$EXACT_MASS: 393.0071819
+CH$SMILES: O=C1NC(C2=C1C3=C(C4=C2C5=C(N4)C=CC(Cl)=C5)NC6=C3C=C(Cl)C=C6)=O
+CH$IUPAC: InChI=1S/C20H9Cl2N3O2/c21-7-1-3-11-9(5-7)13-15-16(20(27)25-19(15)26)14-10-6-8(22)2-4-12(10)24-18(14)17(13)23-11/h1-6,23-24H,(H,25,26,27)
+CH$LINK: CAS 118458-60-9
+CH$LINK: PUBCHEM CID:5482348
+CH$LINK: INCHIKEY DYJREVOKIDWZEE-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 4587851
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-420
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.898 min
+MS$FOCUSED_ION: BASE_PEAK 392
+MS$FOCUSED_ION: PRECURSOR_M/Z 391.9999
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 2998282.91
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0006-0009000000-94b8c7766e13414646ad
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  391.9999 C20H8Cl2N3O2- 1 391.9999 0.04
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  391.9999 3394802.5 999
+//
diff --git a/Eawag/MSBNK-MLU-ED251852.txt b/Eawag/MSBNK-MLU-ED251852.txt
new file mode 100644
index 0000000000..cf93005928
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED251852.txt
@@ -0,0 +1,47 @@
+ACCESSION: MSBNK-MLU-ED251852
+RECORD_TITLE: Tjipanazol L; LC-ESI-QFT; MS2; CE: 20%; R=17500; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], T. Chilczuk [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 2518
+CH$NAME: Tjipanazol L
+CH$NAME: 12,13-Dihydro-3,9-dichloro-5H-Indolo[2,3-a]pyrrolo[3,4-c]carbazole-5,7(6H)-dione
+CH$NAME: 3,9-Dichlor-12,13-dihydro-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazol-5,7(6H)-dion
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C20H9Cl2N3O2
+CH$EXACT_MASS: 393.0071819
+CH$SMILES: O=C1NC(C2=C1C3=C(C4=C2C5=C(N4)C=CC(Cl)=C5)NC6=C3C=C(Cl)C=C6)=O
+CH$IUPAC: InChI=1S/C20H9Cl2N3O2/c21-7-1-3-11-9(5-7)13-15-16(20(27)25-19(15)26)14-10-6-8(22)2-4-12(10)24-18(14)17(13)23-11/h1-6,23-24H,(H,25,26,27)
+CH$LINK: CAS 118458-60-9
+CH$LINK: PUBCHEM CID:5482348
+CH$LINK: INCHIKEY DYJREVOKIDWZEE-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 4587851
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-420
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.898 min
+MS$FOCUSED_ION: BASE_PEAK 392
+MS$FOCUSED_ION: PRECURSOR_M/Z 391.9999
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 2998282.91
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0006-0009000000-90e012bedfce8c78bc0b
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  392.0001 C20H8Cl2N3O2- 1 391.9999 0.43
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  392.0001 1793805.5 999
+//
diff --git a/Eawag/MSBNK-MLU-ED251853.txt b/Eawag/MSBNK-MLU-ED251853.txt
new file mode 100644
index 0000000000..d074306c8b
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED251853.txt
@@ -0,0 +1,47 @@
+ACCESSION: MSBNK-MLU-ED251853
+RECORD_TITLE: Tjipanazol L; LC-ESI-QFT; MS2; CE: 25%; R=17500; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], T. Chilczuk [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 2518
+CH$NAME: Tjipanazol L
+CH$NAME: 12,13-Dihydro-3,9-dichloro-5H-Indolo[2,3-a]pyrrolo[3,4-c]carbazole-5,7(6H)-dione
+CH$NAME: 3,9-Dichlor-12,13-dihydro-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazol-5,7(6H)-dion
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C20H9Cl2N3O2
+CH$EXACT_MASS: 393.0071819
+CH$SMILES: O=C1NC(C2=C1C3=C(C4=C2C5=C(N4)C=CC(Cl)=C5)NC6=C3C=C(Cl)C=C6)=O
+CH$IUPAC: InChI=1S/C20H9Cl2N3O2/c21-7-1-3-11-9(5-7)13-15-16(20(27)25-19(15)26)14-10-6-8(22)2-4-12(10)24-18(14)17(13)23-11/h1-6,23-24H,(H,25,26,27)
+CH$LINK: CAS 118458-60-9
+CH$LINK: PUBCHEM CID:5482348
+CH$LINK: INCHIKEY DYJREVOKIDWZEE-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 4587851
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-420
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.898 min
+MS$FOCUSED_ION: BASE_PEAK 392
+MS$FOCUSED_ION: PRECURSOR_M/Z 391.9999
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 2998282.91
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0006-0009000000-90e012bedfce8c78bc0b
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  392.0001 C20H8Cl2N3O2- 1 391.9999 0.43
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  392.0001 3524988.5 999
+//
diff --git a/Eawag/MSBNK-MLU-ED251854.txt b/Eawag/MSBNK-MLU-ED251854.txt
new file mode 100644
index 0000000000..c5ac16b0bd
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED251854.txt
@@ -0,0 +1,49 @@
+ACCESSION: MSBNK-MLU-ED251854
+RECORD_TITLE: Tjipanazol L; LC-ESI-QFT; MS2; CE: 30%; R=17500; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], T. Chilczuk [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 2518
+CH$NAME: Tjipanazol L
+CH$NAME: 12,13-Dihydro-3,9-dichloro-5H-Indolo[2,3-a]pyrrolo[3,4-c]carbazole-5,7(6H)-dione
+CH$NAME: 3,9-Dichlor-12,13-dihydro-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazol-5,7(6H)-dion
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C20H9Cl2N3O2
+CH$EXACT_MASS: 393.0071819
+CH$SMILES: O=C1NC(C2=C1C3=C(C4=C2C5=C(N4)C=CC(Cl)=C5)NC6=C3C=C(Cl)C=C6)=O
+CH$IUPAC: InChI=1S/C20H9Cl2N3O2/c21-7-1-3-11-9(5-7)13-15-16(20(27)25-19(15)26)14-10-6-8(22)2-4-12(10)24-18(14)17(13)23-11/h1-6,23-24H,(H,25,26,27)
+CH$LINK: CAS 118458-60-9
+CH$LINK: PUBCHEM CID:5482348
+CH$LINK: INCHIKEY DYJREVOKIDWZEE-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 4587851
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-420
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.898 min
+MS$FOCUSED_ION: BASE_PEAK 392
+MS$FOCUSED_ION: PRECURSOR_M/Z 391.9999
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 2998282.91
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0006-0009000000-30800a3bedcd0addd575
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  348.0101 C19H8Cl2N3- 1 348.0101 0.05
+  392 C20H8Cl2N3O2- 1 391.9999 0.36
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  348.0101 41481.8 21
+  392 1936525 999
+//
diff --git a/Eawag/MSBNK-MLU-ED251855.txt b/Eawag/MSBNK-MLU-ED251855.txt
new file mode 100644
index 0000000000..8d9f5cd007
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED251855.txt
@@ -0,0 +1,49 @@
+ACCESSION: MSBNK-MLU-ED251855
+RECORD_TITLE: Tjipanazol L; LC-ESI-QFT; MS2; CE: 40%; R=17500; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], T. Chilczuk [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 2518
+CH$NAME: Tjipanazol L
+CH$NAME: 12,13-Dihydro-3,9-dichloro-5H-Indolo[2,3-a]pyrrolo[3,4-c]carbazole-5,7(6H)-dione
+CH$NAME: 3,9-Dichlor-12,13-dihydro-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazol-5,7(6H)-dion
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C20H9Cl2N3O2
+CH$EXACT_MASS: 393.0071819
+CH$SMILES: O=C1NC(C2=C1C3=C(C4=C2C5=C(N4)C=CC(Cl)=C5)NC6=C3C=C(Cl)C=C6)=O
+CH$IUPAC: InChI=1S/C20H9Cl2N3O2/c21-7-1-3-11-9(5-7)13-15-16(20(27)25-19(15)26)14-10-6-8(22)2-4-12(10)24-18(14)17(13)23-11/h1-6,23-24H,(H,25,26,27)
+CH$LINK: CAS 118458-60-9
+CH$LINK: PUBCHEM CID:5482348
+CH$LINK: INCHIKEY DYJREVOKIDWZEE-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 4587851
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-420
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.898 min
+MS$FOCUSED_ION: BASE_PEAK 392
+MS$FOCUSED_ION: PRECURSOR_M/Z 391.9999
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 2998282.91
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0006-0009000000-cf196e5d31aa748fb9da
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  348.0101 C19H8Cl2N3- 1 348.0101 -0.04
+  392.0001 C20H8Cl2N3O2- 1 391.9999 0.59
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  348.0101 818228.9 275
+  392.0001 2968304.5 999
+//
diff --git a/Eawag/MSBNK-MLU-ED251856.txt b/Eawag/MSBNK-MLU-ED251856.txt
new file mode 100644
index 0000000000..c2f814cd08
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED251856.txt
@@ -0,0 +1,53 @@
+ACCESSION: MSBNK-MLU-ED251856
+RECORD_TITLE: Tjipanazol L; LC-ESI-QFT; MS2; CE: 50%; R=17500; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], T. Chilczuk [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 2518
+CH$NAME: Tjipanazol L
+CH$NAME: 12,13-Dihydro-3,9-dichloro-5H-Indolo[2,3-a]pyrrolo[3,4-c]carbazole-5,7(6H)-dione
+CH$NAME: 3,9-Dichlor-12,13-dihydro-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazol-5,7(6H)-dion
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C20H9Cl2N3O2
+CH$EXACT_MASS: 393.0071819
+CH$SMILES: O=C1NC(C2=C1C3=C(C4=C2C5=C(N4)C=CC(Cl)=C5)NC6=C3C=C(Cl)C=C6)=O
+CH$IUPAC: InChI=1S/C20H9Cl2N3O2/c21-7-1-3-11-9(5-7)13-15-16(20(27)25-19(15)26)14-10-6-8(22)2-4-12(10)24-18(14)17(13)23-11/h1-6,23-24H,(H,25,26,27)
+CH$LINK: CAS 118458-60-9
+CH$LINK: PUBCHEM CID:5482348
+CH$LINK: INCHIKEY DYJREVOKIDWZEE-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 4587851
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-420
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.898 min
+MS$FOCUSED_ION: BASE_PEAK 392
+MS$FOCUSED_ION: PRECURSOR_M/Z 391.9999
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 2998282.91
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0005-0009000000-30014b589c1550382bb9
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  312.0336 C19H7ClN3- 1 312.0334 0.64
+  347.002 C19H7Cl2N3- 1 347.0023 -0.76
+  348.01 C19H8Cl2N3- 1 348.0101 -0.21
+  392.0001 C20H8Cl2N3O2- 1 391.9999 0.43
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  312.0336 88099.4 88
+  347.002 47800.1 47
+  348.01 998125.2 999
+  392.0001 611244.4 611
+//
diff --git a/Eawag/MSBNK-MLU-ED251857.txt b/Eawag/MSBNK-MLU-ED251857.txt
new file mode 100644
index 0000000000..5a11837be7
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED251857.txt
@@ -0,0 +1,65 @@
+ACCESSION: MSBNK-MLU-ED251857
+RECORD_TITLE: Tjipanazol L; LC-ESI-QFT; MS2; CE: 60%; R=17500; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], T. Chilczuk [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 2518
+CH$NAME: Tjipanazol L
+CH$NAME: 12,13-Dihydro-3,9-dichloro-5H-Indolo[2,3-a]pyrrolo[3,4-c]carbazole-5,7(6H)-dione
+CH$NAME: 3,9-Dichlor-12,13-dihydro-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazol-5,7(6H)-dion
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C20H9Cl2N3O2
+CH$EXACT_MASS: 393.0071819
+CH$SMILES: O=C1NC(C2=C1C3=C(C4=C2C5=C(N4)C=CC(Cl)=C5)NC6=C3C=C(Cl)C=C6)=O
+CH$IUPAC: InChI=1S/C20H9Cl2N3O2/c21-7-1-3-11-9(5-7)13-15-16(20(27)25-19(15)26)14-10-6-8(22)2-4-12(10)24-18(14)17(13)23-11/h1-6,23-24H,(H,25,26,27)
+CH$LINK: CAS 118458-60-9
+CH$LINK: PUBCHEM CID:5482348
+CH$LINK: INCHIKEY DYJREVOKIDWZEE-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 4587851
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-420
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.898 min
+MS$FOCUSED_ION: BASE_PEAK 392
+MS$FOCUSED_ION: PRECURSOR_M/Z 391.9999
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 2998282.91
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0002-0009000000-30efb712d5ae0be38dbd
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  312.0336 C19H7ClN3- 1 312.0334 0.73
+  316.0281 C18H7ClN3O- 1 316.0283 -0.6
+  320.9994 C18H7Cl2N2- 1 320.9992 0.56
+  344.023 C19H7ClN3O2- 1 344.0232 -0.53
+  347.0023 C19H7Cl2N3- 1 347.0023 0.03
+  348.0099 C19H8Cl2N3- 1 348.0101 -0.39
+  352.989 C18H7Cl2N2O2- 1 352.989 -0.14
+  356.024 C20H7ClN3O2- 1 356.0232 2.22
+  390.9918 C20H7Cl2N3O2- 1 390.9921 -0.71
+  392 C20H8Cl2N3O2- 1 391.9999 0.12
+PK$NUM_PEAK: 10
+PK$PEAK: m/z int. rel.int.
+  312.0336 376185.6 333
+  316.0281 47617.3 42
+  320.9994 52031.4 46
+  344.023 46891.8 41
+  347.0023 223502.4 198
+  348.0099 1126163.4 999
+  352.989 21745.4 19
+  356.024 24901.8 22
+  390.9918 12614.2 11
+  392 172365.1 152
+//
diff --git a/Eawag/MSBNK-MLU-ED251858.txt b/Eawag/MSBNK-MLU-ED251858.txt
new file mode 100644
index 0000000000..33463a65b7
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED251858.txt
@@ -0,0 +1,55 @@
+ACCESSION: MSBNK-MLU-ED251858
+RECORD_TITLE: Tjipanazol L; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], T. Chilczuk [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 2518
+CH$NAME: Tjipanazol L
+CH$NAME: 12,13-Dihydro-3,9-dichloro-5H-Indolo[2,3-a]pyrrolo[3,4-c]carbazole-5,7(6H)-dione
+CH$NAME: 3,9-Dichlor-12,13-dihydro-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazol-5,7(6H)-dion
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C20H9Cl2N3O2
+CH$EXACT_MASS: 393.0071819
+CH$SMILES: O=C1NC(C2=C1C3=C(C4=C2C5=C(N4)C=CC(Cl)=C5)NC6=C3C=C(Cl)C=C6)=O
+CH$IUPAC: InChI=1S/C20H9Cl2N3O2/c21-7-1-3-11-9(5-7)13-15-16(20(27)25-19(15)26)14-10-6-8(22)2-4-12(10)24-18(14)17(13)23-11/h1-6,23-24H,(H,25,26,27)
+CH$LINK: CAS 118458-60-9
+CH$LINK: PUBCHEM CID:5482348
+CH$LINK: INCHIKEY DYJREVOKIDWZEE-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 4587851
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-420
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.898 min
+MS$FOCUSED_ION: BASE_PEAK 392
+MS$FOCUSED_ION: PRECURSOR_M/Z 391.9999
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 2998282.91
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-01ot-0009000000-8d87f39eb9c715eaa8d6
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  311.0256 C19H6ClN3- 1 311.0256 0.1
+  312.0336 C19H7ClN3- 1 312.0334 0.64
+  344.0233 C19H7ClN3O2- 1 344.0232 0.27
+  347.0021 C19H7Cl2N3- 1 347.0023 -0.32
+  348.0098 C19H8Cl2N3- 1 348.0101 -0.65
+PK$NUM_PEAK: 5
+PK$PEAK: m/z int. rel.int.
+  311.0256 36787.6 187
+  312.0336 195516.2 999
+  344.0233 14988.7 76
+  347.0021 123986.5 633
+  348.0098 158754.5 811
+//
diff --git a/Eawag/MSBNK-MLU-ED251859.txt b/Eawag/MSBNK-MLU-ED251859.txt
new file mode 100644
index 0000000000..9c0f6004fc
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED251859.txt
@@ -0,0 +1,53 @@
+ACCESSION: MSBNK-MLU-ED251859
+RECORD_TITLE: Tjipanazol L; LC-ESI-QFT; MS2; CE: 80%; R=17500; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], T. Chilczuk [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 2518
+CH$NAME: Tjipanazol L
+CH$NAME: 12,13-Dihydro-3,9-dichloro-5H-Indolo[2,3-a]pyrrolo[3,4-c]carbazole-5,7(6H)-dione
+CH$NAME: 3,9-Dichlor-12,13-dihydro-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazol-5,7(6H)-dion
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C20H9Cl2N3O2
+CH$EXACT_MASS: 393.0071819
+CH$SMILES: O=C1NC(C2=C1C3=C(C4=C2C5=C(N4)C=CC(Cl)=C5)NC6=C3C=C(Cl)C=C6)=O
+CH$IUPAC: InChI=1S/C20H9Cl2N3O2/c21-7-1-3-11-9(5-7)13-15-16(20(27)25-19(15)26)14-10-6-8(22)2-4-12(10)24-18(14)17(13)23-11/h1-6,23-24H,(H,25,26,27)
+CH$LINK: CAS 118458-60-9
+CH$LINK: PUBCHEM CID:5482348
+CH$LINK: INCHIKEY DYJREVOKIDWZEE-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 4587851
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-420
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.898 min
+MS$FOCUSED_ION: BASE_PEAK 392
+MS$FOCUSED_ION: PRECURSOR_M/Z 391.9999
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 2998282.91
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03di-0009000000-9059d313b40b8961fe88
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  311.0258 C19H6ClN3- 1 311.0256 0.69
+  312.0337 C19H7ClN3- 1 312.0334 1.13
+  316.0278 C18H7ClN3O- 1 316.0283 -1.76
+  347.0022 C19H7Cl2N3- 1 347.0023 -0.14
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  311.0258 132492.8 696
+  312.0337 190013 999
+  316.0278 9576 50
+  347.0022 142280.1 748
+//
diff --git a/Eawag/MSBNK-MLU-ED251951.txt b/Eawag/MSBNK-MLU-ED251951.txt
new file mode 100644
index 0000000000..6906c98f63
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED251951.txt
@@ -0,0 +1,46 @@
+ACCESSION: MSBNK-MLU-ED251951
+RECORD_TITLE: Tjipanazol M; LC-ESI-QFT; MS2; CE: 15%; R=17500; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], T. Chilczuk [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 2519
+CH$NAME: Tjipanazol M
+CH$NAME: Tjipanazole M
+CH$NAME: 7-chloro-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17,19,21-nonaene-12,14-dione
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C20H10ClN3O2
+CH$EXACT_MASS: 359.0461542
+CH$SMILES: C1=CC=C2C(=C1)C3=C4C(=C5C6=C(C=CC(=C6)Cl)NC5=C3N2)C(=O)NC4=O
+CH$IUPAC: InChI=1S/C20H10ClN3O2/c21-8-5-6-12-10(7-8)14-16-15(19(25)24-20(16)26)13-9-3-1-2-4-11(9)22-17(13)18(14)23-12/h1-7,22-23H,(H,24,25,26)
+CH$LINK: PUBCHEM CID:156582740
+CH$LINK: INCHIKEY CBNJGGAGZSSENK-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 88294760
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-385
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.213 min
+MS$FOCUSED_ION: BASE_PEAK 358.0391
+MS$FOCUSED_ION: PRECURSOR_M/Z 358.0389
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 1228729.27
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0a4i-0009000000-6f2d47f49535020742b7
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  358.0391 C20H9ClN3O2- 1 358.0389 0.67
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  358.0391 791765.9 999
+//
diff --git a/Eawag/MSBNK-MLU-ED251952.txt b/Eawag/MSBNK-MLU-ED251952.txt
new file mode 100644
index 0000000000..17ff471637
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED251952.txt
@@ -0,0 +1,46 @@
+ACCESSION: MSBNK-MLU-ED251952
+RECORD_TITLE: Tjipanazol M; LC-ESI-QFT; MS2; CE: 20%; R=17500; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], T. Chilczuk [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 2519
+CH$NAME: Tjipanazol M
+CH$NAME: Tjipanazole M
+CH$NAME: 7-chloro-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17,19,21-nonaene-12,14-dione
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C20H10ClN3O2
+CH$EXACT_MASS: 359.0461542
+CH$SMILES: C1=CC=C2C(=C1)C3=C4C(=C5C6=C(C=CC(=C6)Cl)NC5=C3N2)C(=O)NC4=O
+CH$IUPAC: InChI=1S/C20H10ClN3O2/c21-8-5-6-12-10(7-8)14-16-15(19(25)24-20(16)26)13-9-3-1-2-4-11(9)22-17(13)18(14)23-12/h1-7,22-23H,(H,24,25,26)
+CH$LINK: PUBCHEM CID:156582740
+CH$LINK: INCHIKEY CBNJGGAGZSSENK-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 88294760
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-385
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.213 min
+MS$FOCUSED_ION: BASE_PEAK 358.0391
+MS$FOCUSED_ION: PRECURSOR_M/Z 358.0389
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 1228729.27
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0a4i-0009000000-6f2d47f49535020742b7
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  358.0391 C20H9ClN3O2- 1 358.0389 0.76
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  358.0391 1528649.1 999
+//
diff --git a/Eawag/MSBNK-MLU-ED251953.txt b/Eawag/MSBNK-MLU-ED251953.txt
new file mode 100644
index 0000000000..337f65730a
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED251953.txt
@@ -0,0 +1,46 @@
+ACCESSION: MSBNK-MLU-ED251953
+RECORD_TITLE: Tjipanazol M; LC-ESI-QFT; MS2; CE: 25%; R=17500; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], T. Chilczuk [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 2519
+CH$NAME: Tjipanazol M
+CH$NAME: Tjipanazole M
+CH$NAME: 7-chloro-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17,19,21-nonaene-12,14-dione
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C20H10ClN3O2
+CH$EXACT_MASS: 359.0461542
+CH$SMILES: C1=CC=C2C(=C1)C3=C4C(=C5C6=C(C=CC(=C6)Cl)NC5=C3N2)C(=O)NC4=O
+CH$IUPAC: InChI=1S/C20H10ClN3O2/c21-8-5-6-12-10(7-8)14-16-15(19(25)24-20(16)26)13-9-3-1-2-4-11(9)22-17(13)18(14)23-12/h1-7,22-23H,(H,24,25,26)
+CH$LINK: PUBCHEM CID:156582740
+CH$LINK: INCHIKEY CBNJGGAGZSSENK-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 88294760
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-385
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.213 min
+MS$FOCUSED_ION: BASE_PEAK 358.0391
+MS$FOCUSED_ION: PRECURSOR_M/Z 358.0389
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 1228729.27
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0a4i-0009000000-6dd62b6bf3dc55b52871
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  358.0392 C20H9ClN3O2- 1 358.0389 0.93
+PK$NUM_PEAK: 1
+PK$PEAK: m/z int. rel.int.
+  358.0392 886879.3 999
+//
diff --git a/Eawag/MSBNK-MLU-ED251954.txt b/Eawag/MSBNK-MLU-ED251954.txt
new file mode 100644
index 0000000000..d6c1ea6f75
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED251954.txt
@@ -0,0 +1,48 @@
+ACCESSION: MSBNK-MLU-ED251954
+RECORD_TITLE: Tjipanazol M; LC-ESI-QFT; MS2; CE: 30%; R=17500; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], T. Chilczuk [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 2519
+CH$NAME: Tjipanazol M
+CH$NAME: Tjipanazole M
+CH$NAME: 7-chloro-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17,19,21-nonaene-12,14-dione
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C20H10ClN3O2
+CH$EXACT_MASS: 359.0461542
+CH$SMILES: C1=CC=C2C(=C1)C3=C4C(=C5C6=C(C=CC(=C6)Cl)NC5=C3N2)C(=O)NC4=O
+CH$IUPAC: InChI=1S/C20H10ClN3O2/c21-8-5-6-12-10(7-8)14-16-15(19(25)24-20(16)26)13-9-3-1-2-4-11(9)22-17(13)18(14)23-12/h1-7,22-23H,(H,24,25,26)
+CH$LINK: PUBCHEM CID:156582740
+CH$LINK: INCHIKEY CBNJGGAGZSSENK-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 88294760
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-385
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.213 min
+MS$FOCUSED_ION: BASE_PEAK 358.0391
+MS$FOCUSED_ION: PRECURSOR_M/Z 358.0389
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 1228729.27
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0a4i-0009000000-22c298ecfdfba5d6eadc
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  314.0502 C19H9ClN3- 1 314.049 3.56
+  358.0391 C20H9ClN3O2- 1 358.0389 0.59
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  314.0502 22603.1 15
+  358.0391 1443339.8 999
+//
diff --git a/Eawag/MSBNK-MLU-ED251955.txt b/Eawag/MSBNK-MLU-ED251955.txt
new file mode 100644
index 0000000000..58c8e00cb8
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED251955.txt
@@ -0,0 +1,48 @@
+ACCESSION: MSBNK-MLU-ED251955
+RECORD_TITLE: Tjipanazol M; LC-ESI-QFT; MS2; CE: 40%; R=17500; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], T. Chilczuk [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 2519
+CH$NAME: Tjipanazol M
+CH$NAME: Tjipanazole M
+CH$NAME: 7-chloro-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17,19,21-nonaene-12,14-dione
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C20H10ClN3O2
+CH$EXACT_MASS: 359.0461542
+CH$SMILES: C1=CC=C2C(=C1)C3=C4C(=C5C6=C(C=CC(=C6)Cl)NC5=C3N2)C(=O)NC4=O
+CH$IUPAC: InChI=1S/C20H10ClN3O2/c21-8-5-6-12-10(7-8)14-16-15(19(25)24-20(16)26)13-9-3-1-2-4-11(9)22-17(13)18(14)23-12/h1-7,22-23H,(H,24,25,26)
+CH$LINK: PUBCHEM CID:156582740
+CH$LINK: INCHIKEY CBNJGGAGZSSENK-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 88294760
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-385
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.213 min
+MS$FOCUSED_ION: BASE_PEAK 358.0391
+MS$FOCUSED_ION: PRECURSOR_M/Z 358.0389
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 1228729.27
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0a4i-0009000000-e3543dbf46fff9de8c01
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  314.0496 C19H9ClN3- 1 314.049 1.61
+  358.039 C20H9ClN3O2- 1 358.0389 0.25
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  314.0496 178606 251
+  358.039 708694.3 999
+//
diff --git a/Eawag/MSBNK-MLU-ED251956.txt b/Eawag/MSBNK-MLU-ED251956.txt
new file mode 100644
index 0000000000..3fb68b5312
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED251956.txt
@@ -0,0 +1,50 @@
+ACCESSION: MSBNK-MLU-ED251956
+RECORD_TITLE: Tjipanazol M; LC-ESI-QFT; MS2; CE: 50%; R=17500; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], T. Chilczuk [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 2519
+CH$NAME: Tjipanazol M
+CH$NAME: Tjipanazole M
+CH$NAME: 7-chloro-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17,19,21-nonaene-12,14-dione
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C20H10ClN3O2
+CH$EXACT_MASS: 359.0461542
+CH$SMILES: C1=CC=C2C(=C1)C3=C4C(=C5C6=C(C=CC(=C6)Cl)NC5=C3N2)C(=O)NC4=O
+CH$IUPAC: InChI=1S/C20H10ClN3O2/c21-8-5-6-12-10(7-8)14-16-15(19(25)24-20(16)26)13-9-3-1-2-4-11(9)22-17(13)18(14)23-12/h1-7,22-23H,(H,24,25,26)
+CH$LINK: PUBCHEM CID:156582740
+CH$LINK: INCHIKEY CBNJGGAGZSSENK-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 88294760
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-385
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.213 min
+MS$FOCUSED_ION: BASE_PEAK 358.0391
+MS$FOCUSED_ION: PRECURSOR_M/Z 358.0389
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 1228729.27
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-08fr-0009000000-e6338e0257e0d3a69d4a
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  313.0415 C19H8ClN3- 1 313.0412 0.87
+  314.0495 C19H9ClN3- 1 314.049 1.52
+  358.0391 C20H9ClN3O2- 1 358.0389 0.5
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  313.0415 22190.5 31
+  314.0495 701210.4 999
+  358.0391 509886.6 726
+//
diff --git a/Eawag/MSBNK-MLU-ED251957.txt b/Eawag/MSBNK-MLU-ED251957.txt
new file mode 100644
index 0000000000..5ccfe126cc
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED251957.txt
@@ -0,0 +1,52 @@
+ACCESSION: MSBNK-MLU-ED251957
+RECORD_TITLE: Tjipanazol M; LC-ESI-QFT; MS2; CE: 60%; R=17500; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], T. Chilczuk [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 2519
+CH$NAME: Tjipanazol M
+CH$NAME: Tjipanazole M
+CH$NAME: 7-chloro-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17,19,21-nonaene-12,14-dione
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C20H10ClN3O2
+CH$EXACT_MASS: 359.0461542
+CH$SMILES: C1=CC=C2C(=C1)C3=C4C(=C5C6=C(C=CC(=C6)Cl)NC5=C3N2)C(=O)NC4=O
+CH$IUPAC: InChI=1S/C20H10ClN3O2/c21-8-5-6-12-10(7-8)14-16-15(19(25)24-20(16)26)13-9-3-1-2-4-11(9)22-17(13)18(14)23-12/h1-7,22-23H,(H,24,25,26)
+CH$LINK: PUBCHEM CID:156582740
+CH$LINK: INCHIKEY CBNJGGAGZSSENK-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 88294760
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-385
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.213 min
+MS$FOCUSED_ION: BASE_PEAK 358.0391
+MS$FOCUSED_ION: PRECURSOR_M/Z 358.0389
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 1228729.27
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03di-0019000000-9c5f74334ac8300e3446
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  278.0723 C19H8N3- 1 278.0724 -0.09
+  313.0413 C19H8ClN3- 1 313.0412 0.29
+  314.0494 C19H9ClN3- 1 314.049 1.13
+  358.0386 C20H9ClN3O2- 1 358.0389 -0.78
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  278.0723 55326.3 184
+  313.0413 43279.8 143
+  314.0494 300361.1 999
+  358.0386 54438.4 181
+//
diff --git a/Eawag/MSBNK-MLU-ED251958.txt b/Eawag/MSBNK-MLU-ED251958.txt
new file mode 100644
index 0000000000..7ba3fbcdd4
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED251958.txt
@@ -0,0 +1,52 @@
+ACCESSION: MSBNK-MLU-ED251958
+RECORD_TITLE: Tjipanazol M; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M-H]-
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], T. Chilczuk [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 2a
+COMMENT: CyanoMetDB_ID 2519
+CH$NAME: Tjipanazol M
+CH$NAME: Tjipanazole M
+CH$NAME: 7-chloro-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17,19,21-nonaene-12,14-dione
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C20H10ClN3O2
+CH$EXACT_MASS: 359.0461542
+CH$SMILES: C1=CC=C2C(=C1)C3=C4C(=C5C6=C(C=CC(=C6)Cl)NC5=C3N2)C(=O)NC4=O
+CH$IUPAC: InChI=1S/C20H10ClN3O2/c21-8-5-6-12-10(7-8)14-16-15(19(25)24-20(16)26)13-9-3-1-2-4-11(9)22-17(13)18(14)23-12/h1-7,22-23H,(H,24,25,26)
+CH$LINK: PUBCHEM CID:156582740
+CH$LINK: INCHIKEY CBNJGGAGZSSENK-UHFFFAOYSA-N
+CH$LINK: CHEMSPIDER 88294760
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-385
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 5.213 min
+MS$FOCUSED_ION: BASE_PEAK 358.0391
+MS$FOCUSED_ION: PRECURSOR_M/Z 358.0389
+MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 1228729.27
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-03di-0049000000-2e29dfd6ea4d4befe487
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  278.0723 C19H8N3- 1 278.0724 -0.09
+  287.038 C18H8ClN2- 1 287.0381 -0.52
+  313.0416 C19H8ClN3- 1 313.0412 1.17
+  314.0493 C19H9ClN3- 1 314.049 0.93
+PK$NUM_PEAK: 4
+PK$PEAK: m/z int. rel.int.
+  278.0723 101383.3 612
+  287.038 15650.6 94
+  313.0416 90256.1 545
+  314.0493 165383.2 999
+//
diff --git a/Eawag/MSBNK-MLU-ED252001.txt b/Eawag/MSBNK-MLU-ED252001.txt
new file mode 100644
index 0000000000..0244c1ac16
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED252001.txt
@@ -0,0 +1,47 @@
+ACCESSION: MSBNK-MLU-ED252001
+RECORD_TITLE: Anhydrocyanobacterin; LC-ESI-QFT; MS2; CE: 15%; R=17500; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2520
+CH$NAME: Anhydrocyanobacterin
+CH$NAME: 3-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-5-[(4-methoxyphenyl)methylidene]-4-propan-2-ylfuran-2-one
+CH$NAME: (Z)-3-((7-chlorobenzo[d][1,3]dioxol-5-yl)methyl)-4-isopropyl-5-(4-methoxybenzylidene)furan-2(5H)-one
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C23H21ClO5
+CH$EXACT_MASS: 412.1077515
+CH$SMILES: CC(C)C1=C(C(=O)OC1=CC2=CC=C(C=C2)OC)CC3=CC4=C(C(=C3)Cl)OCO4
+CH$IUPAC: InChI=1S/C23H21ClO5/c1-13(2)21-17(8-15-9-18(24)22-20(11-15)27-12-28-22)23(25)29-19(21)10-14-4-6-16(26-3)7-5-14/h4-7,9-11,13H,8,12H2,1-3H3
+CH$LINK: PUBCHEM CID:163000127
+CH$LINK: INCHIKEY GNRHIDBFAWGJDI-UHFFFAOYSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-440
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.008 min
+MS$FOCUSED_ION: BASE_PEAK 413.1151
+MS$FOCUSED_ION: PRECURSOR_M/Z 413.115
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 371488868.55
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0a4i-0090400000-35641038c69122a56ae0
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  257.117 C16H17O3+ 1 257.1172 -0.69
+  413.1149 C23H22ClO5+ 1 413.115 -0.3
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  257.117 218878048 999
+  413.1149 105937320 483
+//
diff --git a/Eawag/MSBNK-MLU-ED252002.txt b/Eawag/MSBNK-MLU-ED252002.txt
new file mode 100644
index 0000000000..7f3b54e0b0
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED252002.txt
@@ -0,0 +1,47 @@
+ACCESSION: MSBNK-MLU-ED252002
+RECORD_TITLE: Anhydrocyanobacterin; LC-ESI-QFT; MS2; CE: 20%; R=17500; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2520
+CH$NAME: Anhydrocyanobacterin
+CH$NAME: 3-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-5-[(4-methoxyphenyl)methylidene]-4-propan-2-ylfuran-2-one
+CH$NAME: (Z)-3-((7-chlorobenzo[d][1,3]dioxol-5-yl)methyl)-4-isopropyl-5-(4-methoxybenzylidene)furan-2(5H)-one
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C23H21ClO5
+CH$EXACT_MASS: 412.1077515
+CH$SMILES: CC(C)C1=C(C(=O)OC1=CC2=CC=C(C=C2)OC)CC3=CC4=C(C(=C3)Cl)OCO4
+CH$IUPAC: InChI=1S/C23H21ClO5/c1-13(2)21-17(8-15-9-18(24)22-20(11-15)27-12-28-22)23(25)29-19(21)10-14-4-6-16(26-3)7-5-14/h4-7,9-11,13H,8,12H2,1-3H3
+CH$LINK: PUBCHEM CID:163000127
+CH$LINK: INCHIKEY GNRHIDBFAWGJDI-UHFFFAOYSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-440
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.008 min
+MS$FOCUSED_ION: BASE_PEAK 413.1151
+MS$FOCUSED_ION: PRECURSOR_M/Z 413.115
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 371488868.55
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0a4i-0090000000-c80bd247e6d132047d04
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  257.1171 C16H17O3+ 1 257.1172 -0.57
+  413.1148 C23H22ClO5+ 1 413.115 -0.45
+PK$NUM_PEAK: 2
+PK$PEAK: m/z int. rel.int.
+  257.1171 214554064 999
+  413.1148 17786572 82
+//
diff --git a/Eawag/MSBNK-MLU-ED252003.txt b/Eawag/MSBNK-MLU-ED252003.txt
new file mode 100644
index 0000000000..be7fe2afae
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED252003.txt
@@ -0,0 +1,49 @@
+ACCESSION: MSBNK-MLU-ED252003
+RECORD_TITLE: Anhydrocyanobacterin; LC-ESI-QFT; MS2; CE: 25%; R=17500; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2520
+CH$NAME: Anhydrocyanobacterin
+CH$NAME: 3-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-5-[(4-methoxyphenyl)methylidene]-4-propan-2-ylfuran-2-one
+CH$NAME: (Z)-3-((7-chlorobenzo[d][1,3]dioxol-5-yl)methyl)-4-isopropyl-5-(4-methoxybenzylidene)furan-2(5H)-one
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C23H21ClO5
+CH$EXACT_MASS: 412.1077515
+CH$SMILES: CC(C)C1=C(C(=O)OC1=CC2=CC=C(C=C2)OC)CC3=CC4=C(C(=C3)Cl)OCO4
+CH$IUPAC: InChI=1S/C23H21ClO5/c1-13(2)21-17(8-15-9-18(24)22-20(11-15)27-12-28-22)23(25)29-19(21)10-14-4-6-16(26-3)7-5-14/h4-7,9-11,13H,8,12H2,1-3H3
+CH$LINK: PUBCHEM CID:163000127
+CH$LINK: INCHIKEY GNRHIDBFAWGJDI-UHFFFAOYSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-440
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.008 min
+MS$FOCUSED_ION: BASE_PEAK 413.1151
+MS$FOCUSED_ION: PRECURSOR_M/Z 413.115
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 371488868.55
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0a4i-0090000000-87f55f9f48bab324898a
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  121.0646 C8H9O+ 1 121.0648 -1.95
+  257.1171 C16H17O3+ 1 257.1172 -0.46
+  413.1148 C23H22ClO5+ 1 413.115 -0.59
+PK$NUM_PEAK: 3
+PK$PEAK: m/z int. rel.int.
+  121.0646 4620273.5 14
+  257.1171 323750880 999
+  413.1148 4467392.5 13
+//
diff --git a/Eawag/MSBNK-MLU-ED252004.txt b/Eawag/MSBNK-MLU-ED252004.txt
new file mode 100644
index 0000000000..ea9097cb0a
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED252004.txt
@@ -0,0 +1,59 @@
+ACCESSION: MSBNK-MLU-ED252004
+RECORD_TITLE: Anhydrocyanobacterin; LC-ESI-QFT; MS2; CE: 30%; R=17500; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2520
+CH$NAME: Anhydrocyanobacterin
+CH$NAME: 3-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-5-[(4-methoxyphenyl)methylidene]-4-propan-2-ylfuran-2-one
+CH$NAME: (Z)-3-((7-chlorobenzo[d][1,3]dioxol-5-yl)methyl)-4-isopropyl-5-(4-methoxybenzylidene)furan-2(5H)-one
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C23H21ClO5
+CH$EXACT_MASS: 412.1077515
+CH$SMILES: CC(C)C1=C(C(=O)OC1=CC2=CC=C(C=C2)OC)CC3=CC4=C(C(=C3)Cl)OCO4
+CH$IUPAC: InChI=1S/C23H21ClO5/c1-13(2)21-17(8-15-9-18(24)22-20(11-15)27-12-28-22)23(25)29-19(21)10-14-4-6-16(26-3)7-5-14/h4-7,9-11,13H,8,12H2,1-3H3
+CH$LINK: PUBCHEM CID:163000127
+CH$LINK: INCHIKEY GNRHIDBFAWGJDI-UHFFFAOYSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-440
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.008 min
+MS$FOCUSED_ION: BASE_PEAK 413.1151
+MS$FOCUSED_ION: PRECURSOR_M/Z 413.115
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 371488868.55
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0a4i-0090000000-42dfff36f1355e6105f1
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  83.0492 C5H7O+ 1 83.0491 0.44
+  121.0647 C8H9O+ 1 121.0648 -0.75
+  135.0441 C8H7O2+ 1 135.0441 0.06
+  187.0753 C12H11O2+ 1 187.0754 -0.42
+  201.127 C14H17O+ 1 201.1274 -2.08
+  211.1116 C15H15O+ 1 211.1117 -0.84
+  229.1221 C15H17O2+ 1 229.1223 -0.8
+  257.1171 C16H17O3+ 1 257.1172 -0.57
+PK$NUM_PEAK: 8
+PK$PEAK: m/z int. rel.int.
+  83.0492 4224644.5 22
+  121.0647 10579830 56
+  135.0441 2487934.5 13
+  187.0753 2914673 15
+  201.127 3351535 17
+  211.1116 4267598 22
+  229.1221 5129506 27
+  257.1171 188265648 999
+//
diff --git a/Eawag/MSBNK-MLU-ED252005.txt b/Eawag/MSBNK-MLU-ED252005.txt
new file mode 100644
index 0000000000..de0f634b1f
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED252005.txt
@@ -0,0 +1,129 @@
+ACCESSION: MSBNK-MLU-ED252005
+RECORD_TITLE: Anhydrocyanobacterin; LC-ESI-QFT; MS2; CE: 40%; R=17500; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2520
+CH$NAME: Anhydrocyanobacterin
+CH$NAME: 3-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-5-[(4-methoxyphenyl)methylidene]-4-propan-2-ylfuran-2-one
+CH$NAME: (Z)-3-((7-chlorobenzo[d][1,3]dioxol-5-yl)methyl)-4-isopropyl-5-(4-methoxybenzylidene)furan-2(5H)-one
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C23H21ClO5
+CH$EXACT_MASS: 412.1077515
+CH$SMILES: CC(C)C1=C(C(=O)OC1=CC2=CC=C(C=C2)OC)CC3=CC4=C(C(=C3)Cl)OCO4
+CH$IUPAC: InChI=1S/C23H21ClO5/c1-13(2)21-17(8-15-9-18(24)22-20(11-15)27-12-28-22)23(25)29-19(21)10-14-4-6-16(26-3)7-5-14/h4-7,9-11,13H,8,12H2,1-3H3
+CH$LINK: PUBCHEM CID:163000127
+CH$LINK: INCHIKEY GNRHIDBFAWGJDI-UHFFFAOYSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-440
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.008 min
+MS$FOCUSED_ION: BASE_PEAK 413.1151
+MS$FOCUSED_ION: PRECURSOR_M/Z 413.115
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 371488868.55
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-0a4i-1890000000-b34450cb3dc14e4057ab
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  67.018 C4H3O+ 1 67.0178 2.19
+  81.0335 C5H5O+ 1 81.0335 0.24
+  81.0699 C6H9+ 1 81.0699 -0.24
+  83.0492 C5H7O+ 1 83.0491 0.35
+  91.0541 C7H7+ 1 91.0542 -1.04
+  93.0699 C7H9+ 1 93.0699 0.31
+  95.0492 C6H7O+ 1 95.0491 0.98
+  121.0648 C8H9O+ 1 121.0648 0.13
+  133.0648 C9H9O+ 1 133.0648 0.02
+  135.044 C8H7O2+ 1 135.0441 -0.16
+  135.0803 C9H11O+ 1 135.0804 -1.24
+  145.0648 C10H9O+ 1 145.0648 0.27
+  147.0804 C10H11O+ 1 147.0804 -0.22
+  149.0597 C9H9O2+ 1 149.0597 0.08
+  158.0724 C11H10O+ 1 158.0726 -1.27
+  159.0804 C11H11O+ 1 159.0804 -0.09
+  171.0804 C12H11O+ 1 171.0804 -0.49
+  172.0883 C12H12O+ 1 172.0883 0.06
+  173.0599 C11H9O2+ 1 173.0597 1.02
+  173.096 C12H13O+ 1 173.0961 -0.27
+  175.0753 C11H11O2+ 1 175.0754 -0.18
+  179.0855 C14H11+ 1 179.0855 -0.04
+  181.1011 C14H13+ 1 181.1012 -0.68
+  183.0805 C13H11O+ 1 183.0804 0.49
+  185.096 C13H13O+ 1 185.0961 -0.65
+  186.1038 C13H14O+ 1 186.1039 -0.39
+  187.0754 C12H11O2+ 1 187.0754 0.23
+  187.1115 C13H15O+ 1 187.1117 -1.36
+  188.0832 C12H12O2+ 1 188.0832 0.07
+  196.0881 C14H12O+ 1 196.0883 -0.79
+  197.0961 C14H13O+ 1 197.0961 -0.18
+  198.1037 C14H14O+ 1 198.1039 -1.33
+  201.1274 C14H17O+ 1 201.1274 -0.11
+  211.1116 C15H15O+ 1 211.1117 -0.77
+  214.0986 C14H14O2+ 1 214.0988 -0.96
+  215.0707 C13H11O3+ 1 215.0703 2.01
+  215.1064 C14H15O2+ 1 215.1067 -1.22
+  224.0833 C15H12O2+ 1 224.0832 0.54
+  227.0703 C14H11O3+ 1 227.0703 -0.02
+  229.1222 C15H17O2+ 1 229.1223 -0.47
+  239.1067 C16H15O2+ 1 239.1067 -0.01
+  242.0936 C15H14O3+ 1 242.0937 -0.47
+  257.1171 C16H17O3+ 1 257.1172 -0.34
+PK$NUM_PEAK: 43
+PK$PEAK: m/z int. rel.int.
+  67.018 7236309 65
+  81.0335 4283951 38
+  81.0699 2653572.8 24
+  83.0492 12719757 115
+  91.0541 2087660 18
+  93.0699 5170153 46
+  95.0492 2850112.8 25
+  121.0648 51196720 463
+  133.0648 7279523.5 65
+  135.044 12080623 109
+  135.0803 2411803.8 21
+  145.0648 4810994 43
+  147.0804 4319947 39
+  149.0597 5390562.5 48
+  158.0724 2106098.5 19
+  159.0804 7692953 69
+  171.0804 4773179.5 43
+  172.0883 5440884 49
+  173.0599 3833627.2 34
+  173.096 6213019 56
+  175.0753 1549144.2 14
+  179.0855 4511935 40
+  181.1011 1363620.4 12
+  183.0805 1365977.9 12
+  185.096 4536582 41
+  186.1038 3939017.5 35
+  187.0754 11209562 101
+  187.1115 5286974.5 47
+  188.0832 1295194.5 11
+  196.0881 4649852 42
+  197.0961 1679885.9 15
+  198.1037 3877625 35
+  201.1274 10166943 92
+  211.1116 13857205 125
+  214.0986 2371079 21
+  215.0707 3889172.2 35
+  215.1064 4685564 42
+  224.0833 1391364.8 12
+  227.0703 2677477.8 24
+  229.1222 10361083 93
+  239.1067 4037436 36
+  242.0936 9028688 81
+  257.1171 110342488 999
+//
diff --git a/Eawag/MSBNK-MLU-ED252006.txt b/Eawag/MSBNK-MLU-ED252006.txt
new file mode 100644
index 0000000000..06b751ff86
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED252006.txt
@@ -0,0 +1,167 @@
+ACCESSION: MSBNK-MLU-ED252006
+RECORD_TITLE: Anhydrocyanobacterin; LC-ESI-QFT; MS2; CE: 50%; R=17500; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2520
+CH$NAME: Anhydrocyanobacterin
+CH$NAME: 3-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-5-[(4-methoxyphenyl)methylidene]-4-propan-2-ylfuran-2-one
+CH$NAME: (Z)-3-((7-chlorobenzo[d][1,3]dioxol-5-yl)methyl)-4-isopropyl-5-(4-methoxybenzylidene)furan-2(5H)-one
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C23H21ClO5
+CH$EXACT_MASS: 412.1077515
+CH$SMILES: CC(C)C1=C(C(=O)OC1=CC2=CC=C(C=C2)OC)CC3=CC4=C(C(=C3)Cl)OCO4
+CH$IUPAC: InChI=1S/C23H21ClO5/c1-13(2)21-17(8-15-9-18(24)22-20(11-15)27-12-28-22)23(25)29-19(21)10-14-4-6-16(26-3)7-5-14/h4-7,9-11,13H,8,12H2,1-3H3
+CH$LINK: PUBCHEM CID:163000127
+CH$LINK: INCHIKEY GNRHIDBFAWGJDI-UHFFFAOYSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-440
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.008 min
+MS$FOCUSED_ION: BASE_PEAK 413.1151
+MS$FOCUSED_ION: PRECURSOR_M/Z 413.115
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 371488868.55
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00di-2920000000-90da8c5cf7de1e1c5d50
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  67.018 C4H3O+ 1 67.0178 2.99
+  69.0337 C4H5O+ 1 69.0335 2.72
+  79.0542 C6H7+ 1 79.0542 -0.32
+  81.0335 C5H5O+ 1 81.0335 0.62
+  81.0699 C6H9+ 1 81.0699 0.71
+  83.0492 C5H7O+ 1 83.0491 0.44
+  91.0542 C7H7+ 1 91.0542 0.05
+  93.0699 C7H9+ 1 93.0699 0.15
+  95.0491 C6H7O+ 1 95.0491 -0.3
+  105.0699 C8H9+ 1 105.0699 0.03
+  107.0491 C7H7O+ 1 107.0491 -0.13
+  109.0647 C7H9O+ 1 109.0648 -0.98
+  121.0648 C8H9O+ 1 121.0648 0.13
+  133.0648 C9H9O+ 1 133.0648 -0.21
+  134.0725 C9H10O+ 1 134.0726 -0.84
+  135.044 C8H7O2+ 1 135.0441 -0.16
+  135.0802 C9H11O+ 1 135.0804 -1.92
+  144.057 C10H8O+ 1 144.057 0.24
+  145.0648 C10H9O+ 1 145.0648 -0.05
+  147.0805 C10H11O+ 1 147.0804 0.3
+  149.0598 C9H9O2+ 1 149.0597 0.6
+  155.0857 C12H11+ 1 155.0855 1.14
+  158.0725 C11H10O+ 1 158.0726 -0.69
+  159.0804 C11H11O+ 1 159.0804 -0.09
+  161.0959 C11H13O+ 1 161.0961 -1.09
+  165.0699 C13H9+ 1 165.0699 0.06
+  166.078 C13H10+ 1 166.0777 1.82
+  169.0053 C8H6ClO2+ 1 169.0051 1
+  169.1013 C13H13+ 1 169.1012 0.77
+  171.0804 C12H11O+ 1 171.0804 -0.4
+  172.0882 C12H12O+ 1 172.0883 -0.56
+  173.0598 C11H9O2+ 1 173.0597 0.4
+  173.0961 C12H13O+ 1 173.0961 -0.18
+  174.0673 C11H10O2+ 1 174.0675 -1.34
+  175.0753 C11H11O2+ 1 175.0754 -0.18
+  175.1115 C12H15O+ 1 175.1117 -1.62
+  179.0855 C14H11+ 1 179.0855 -0.38
+  180.0933 C14H12+ 1 180.0934 -0.02
+  181.1005 C14H13+ 1 181.1012 -3.71
+  182.0729 C13H10O+ 1 182.0726 1.48
+  183.0804 C13H11O+ 1 183.0804 -0.1
+  185.0961 C13H13O+ 1 185.0961 0.09
+  186.1038 C13H14O+ 1 186.1039 -0.39
+  187.0754 C12H11O2+ 1 187.0754 -0.01
+  187.1116 C13H15O+ 1 187.1117 -0.87
+  188.083 C12H12O2+ 1 188.0832 -0.99
+  195.0807 C14H11O+ 1 195.0804 1.24
+  196.0882 C14H12O+ 1 196.0883 -0.33
+  198.1038 C14H14O+ 1 198.1039 -0.49
+  200.0831 C13H12O2+ 1 200.0832 -0.21
+  201.1272 C14H17O+ 1 201.1274 -0.71
+  211.1116 C15H15O+ 1 211.1117 -0.77
+  214.0986 C14H14O2+ 1 214.0988 -0.89
+  215.0704 C13H11O3+ 1 215.0703 0.52
+  215.1061 C14H15O2+ 1 215.1067 -2.64
+  224.0834 C15H12O2+ 1 224.0832 0.88
+  227.0701 C14H11O3+ 1 227.0703 -0.96
+  229.1219 C15H17O2+ 1 229.1223 -1.93
+  239.1068 C16H15O2+ 1 239.1067 0.5
+  241.0853 C15H13O3+ 1 241.0859 -2.71
+  242.0936 C15H14O3+ 1 242.0937 -0.66
+  257.1172 C16H17O3+ 1 257.1172 -0.22
+PK$NUM_PEAK: 62
+PK$PEAK: m/z int. rel.int.
+  67.018 10814624 254
+  69.0337 1166519.5 27
+  79.0542 1247965 29
+  81.0335 4860102 114
+  81.0699 2275714.8 53
+  83.0492 5504618.5 129
+  91.0542 4699629 110
+  93.0699 6429785.5 151
+  95.0491 2645172 62
+  105.0699 872403.9 20
+  107.0491 750462.2 17
+  109.0647 597903.2 14
+  121.0648 42402992 999
+  133.0648 6009101 141
+  134.0725 477667.3 11
+  135.044 8945712 210
+  135.0802 2668653 62
+  144.057 2700307.5 63
+  145.0648 5590830.5 131
+  147.0805 3411777.2 80
+  149.0598 2136617.5 50
+  155.0857 1065485 25
+  158.0725 3658422 86
+  159.0804 7627710 179
+  161.0959 1076198.6 25
+  165.0699 1321707.1 31
+  166.078 800419.5 18
+  169.0053 489174.1 11
+  169.1013 720107.4 16
+  171.0804 3585018.2 84
+  172.0882 6887453 162
+  173.0598 1741951.9 41
+  173.0961 4550056.5 107
+  174.0673 1097969 25
+  175.0753 1632334.6 38
+  175.1115 816460.2 19
+  179.0855 4151325.2 97
+  180.0933 736987.9 17
+  181.1005 770302.1 18
+  182.0729 429187.4 10
+  183.0804 2469804 58
+  185.0961 3086236.2 72
+  186.1038 4877031 114
+  187.0754 6698727.5 157
+  187.1116 3404470 80
+  188.083 1215081 28
+  195.0807 539496.1 12
+  196.0882 5360323.5 126
+  198.1038 2906146.8 68
+  200.0831 779031.4 18
+  201.1272 4395895 103
+  211.1116 6162829 145
+  214.0986 2301330.8 54
+  215.0704 1497823.8 35
+  215.1061 1716845.2 40
+  224.0834 821135.9 19
+  227.0701 5033980.5 118
+  229.1219 2716476.5 63
+  239.1068 1369456.2 32
+  241.0853 850797.1 20
+  242.0936 7311101.5 172
+  257.1172 12428097 292
+//
diff --git a/Eawag/MSBNK-MLU-ED252007.txt b/Eawag/MSBNK-MLU-ED252007.txt
new file mode 100644
index 0000000000..f3f38840aa
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED252007.txt
@@ -0,0 +1,155 @@
+ACCESSION: MSBNK-MLU-ED252007
+RECORD_TITLE: Anhydrocyanobacterin; LC-ESI-QFT; MS2; CE: 60%; R=17500; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2520
+CH$NAME: Anhydrocyanobacterin
+CH$NAME: 3-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-5-[(4-methoxyphenyl)methylidene]-4-propan-2-ylfuran-2-one
+CH$NAME: (Z)-3-((7-chlorobenzo[d][1,3]dioxol-5-yl)methyl)-4-isopropyl-5-(4-methoxybenzylidene)furan-2(5H)-one
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C23H21ClO5
+CH$EXACT_MASS: 412.1077515
+CH$SMILES: CC(C)C1=C(C(=O)OC1=CC2=CC=C(C=C2)OC)CC3=CC4=C(C(=C3)Cl)OCO4
+CH$IUPAC: InChI=1S/C23H21ClO5/c1-13(2)21-17(8-15-9-18(24)22-20(11-15)27-12-28-22)23(25)29-19(21)10-14-4-6-16(26-3)7-5-14/h4-7,9-11,13H,8,12H2,1-3H3
+CH$LINK: PUBCHEM CID:163000127
+CH$LINK: INCHIKEY GNRHIDBFAWGJDI-UHFFFAOYSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-440
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.008 min
+MS$FOCUSED_ION: BASE_PEAK 413.1151
+MS$FOCUSED_ION: PRECURSOR_M/Z 413.115
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 371488868.55
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00di-3910000000-b030dcce12b472a1f5a8
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  55.0181 C3H3O+ 1 55.0178 4.87
+  67.018 C4H3O+ 1 67.0178 3.1
+  67.0544 C5H7+ 1 67.0542 3.08
+  69.0336 C4H5O+ 1 69.0335 1.95
+  79.0543 C6H7+ 1 79.0542 0.45
+  81.0335 C5H5O+ 1 81.0335 0.53
+  81.0699 C6H9+ 1 81.0699 0.8
+  83.0492 C5H7O+ 1 83.0491 0.81
+  91.0542 C7H7+ 1 91.0542 0.21
+  93.0699 C7H9+ 1 93.0699 0.23
+  95.0492 C6H7O+ 1 95.0491 0.26
+  103.0542 C8H7+ 1 103.0542 -0.61
+  109.0651 C7H9O+ 1 109.0648 2.38
+  115.0543 C9H7+ 1 115.0542 0.3
+  117.0698 C9H9+ 1 117.0699 -0.65
+  121.0648 C8H9O+ 1 121.0648 0.2
+  129.0697 C10H9+ 1 129.0699 -1.15
+  131.0491 C9H7O+ 1 131.0491 -0.45
+  133.0648 C9H9O+ 1 133.0648 -0.09
+  135.0803 C9H11O+ 1 135.0804 -0.68
+  143.0854 C11H11+ 1 143.0855 -0.69
+  144.057 C10H8O+ 1 144.057 0.03
+  145.0649 C10H9O+ 1 145.0648 0.48
+  146.0725 C10H10O+ 1 146.0726 -0.76
+  147.0804 C10H11O+ 1 147.0804 -0.11
+  155.0855 C12H11+ 1 155.0855 0.06
+  158.0726 C11H10O+ 1 158.0726 -0.02
+  159.0804 C11H11O+ 1 159.0804 -0.28
+  161.096 C11H13O+ 1 161.0961 -0.62
+  167.0858 C13H11+ 1 167.0855 1.74
+  169.1012 C13H13+ 1 169.1012 -0.14
+  170.0728 C12H10O+ 1 170.0726 1.01
+  171.0804 C12H11O+ 1 171.0804 -0.14
+  172.0883 C12H12O+ 1 172.0883 -0.02
+  173.0598 C11H9O2+ 1 173.0597 0.66
+  175.0754 C11H11O2+ 1 175.0754 0.09
+  175.1115 C12H15O+ 1 175.1117 -1.27
+  179.0855 C14H11+ 1 179.0855 -0.21
+  180.0932 C14H12+ 1 180.0934 -0.95
+  183.0804 C13H11O+ 1 183.0804 -0.43
+  184.0879 C13H12O+ 1 184.0883 -1.99
+  186.1038 C13H14O+ 1 186.1039 -0.39
+  187.1115 C13H15O+ 1 187.1117 -1.44
+  188.0831 C12H12O2+ 1 188.0832 -0.66
+  196.0882 C14H12O+ 1 196.0883 -0.33
+  197.096 C14H13O+ 1 197.0961 -0.64
+  198.1038 C14H14O+ 1 198.1039 -0.41
+  199.0753 C13H11O2+ 1 199.0754 -0.44
+  200.083 C13H12O2+ 1 200.0832 -0.67
+  201.0913 C13H13O2+ 1 201.091 1.38
+  211.1116 C15H15O+ 1 211.1117 -0.7
+  214.0987 C14H14O2+ 1 214.0988 -0.74
+  215.1067 C14H15O2+ 1 215.1067 0.34
+  227.0701 C14H11O3+ 1 227.0703 -0.62
+  241.0862 C15H13O3+ 1 241.0859 1.02
+  242.0936 C15H14O3+ 1 242.0937 -0.6
+PK$NUM_PEAK: 56
+PK$PEAK: m/z int. rel.int.
+  55.0181 1134618.2 19
+  67.018 21965956 377
+  67.0544 3449113.8 59
+  69.0336 1203930.8 20
+  79.0543 2954389.2 50
+  81.0335 6825333 117
+  81.0699 2895053 49
+  83.0492 4403764 75
+  91.0542 12641701 217
+  93.0699 10645572 182
+  95.0492 5265330 90
+  103.0542 1756486.9 30
+  109.0651 1168036.2 20
+  115.0543 1332816.1 22
+  117.0698 644824.7 11
+  121.0648 58163232 999
+  129.0697 2156534.2 37
+  131.0491 750720.2 12
+  133.0648 8234173 141
+  135.0803 3721151 63
+  143.0854 1564283 26
+  144.057 6781563.5 116
+  145.0649 8695678 149
+  146.0725 905142.5 15
+  147.0804 4119612 70
+  155.0855 3112646.8 53
+  158.0726 8367000.5 143
+  159.0804 11483422 197
+  161.096 2029099.2 34
+  167.0858 1805102.2 31
+  169.1012 1144253 19
+  170.0728 1056848.6 18
+  171.0804 8599485 147
+  172.0883 10011057 171
+  173.0598 1965754.9 33
+  175.0754 2211140.2 37
+  175.1115 891379.8 15
+  179.0855 5570198.5 95
+  180.0932 1242882.4 21
+  183.0804 6968154.5 119
+  184.0879 817190.8 14
+  186.1038 7662322.5 131
+  187.1115 2333800.8 40
+  188.0831 1189321 20
+  196.0882 7832655.5 134
+  197.096 3535311.5 60
+  198.1038 2530218.5 43
+  199.0753 7673175 131
+  200.083 1046823.3 17
+  201.0913 965254.9 16
+  211.1116 3155364 54
+  214.0987 3389785 58
+  215.1067 675281.5 11
+  227.0701 10384450 178
+  241.0862 2125493.2 36
+  242.0936 6383359 109
+//
diff --git a/Eawag/MSBNK-MLU-ED252008.txt b/Eawag/MSBNK-MLU-ED252008.txt
new file mode 100644
index 0000000000..3373210038
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED252008.txt
@@ -0,0 +1,191 @@
+ACCESSION: MSBNK-MLU-ED252008
+RECORD_TITLE: Anhydrocyanobacterin; LC-ESI-QFT; MS2; CE: 70%; R=15000; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2520
+CH$NAME: Anhydrocyanobacterin
+CH$NAME: 3-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-5-[(4-methoxyphenyl)methylidene]-4-propan-2-ylfuran-2-one
+CH$NAME: (Z)-3-((7-chlorobenzo[d][1,3]dioxol-5-yl)methyl)-4-isopropyl-5-(4-methoxybenzylidene)furan-2(5H)-one
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C23H21ClO5
+CH$EXACT_MASS: 412.1077515
+CH$SMILES: CC(C)C1=C(C(=O)OC1=CC2=CC=C(C=C2)OC)CC3=CC4=C(C(=C3)Cl)OCO4
+CH$IUPAC: InChI=1S/C23H21ClO5/c1-13(2)21-17(8-15-9-18(24)22-20(11-15)27-12-28-22)23(25)29-19(21)10-14-4-6-16(26-3)7-5-14/h4-7,9-11,13H,8,12H2,1-3H3
+CH$LINK: PUBCHEM CID:163000127
+CH$LINK: INCHIKEY GNRHIDBFAWGJDI-UHFFFAOYSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 15000
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-440
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.008 min
+MS$FOCUSED_ION: BASE_PEAK 413.1151
+MS$FOCUSED_ION: PRECURSOR_M/Z 413.115
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 371488868.55
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00di-2900000000-c0a0413529af9fad1fbb
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  51.023 C4H3+ 1 51.0229 2.37
+  65.0388 C5H5+ 1 65.0386 2.91
+  67.018 C4H3O+ 1 67.0178 2.87
+  67.0544 C5H7+ 1 67.0542 2.74
+  78.0464 C6H6+ 1 78.0464 0.19
+  79.0542 C6H7+ 1 79.0542 0.26
+  81.0336 C5H5O+ 1 81.0335 0.81
+  83.0492 C5H7O+ 1 83.0491 0.25
+  91.0542 C7H7+ 1 91.0542 0.13
+  93.0699 C7H9+ 1 93.0699 0.07
+  95.0492 C6H7O+ 1 95.0491 0.1
+  103.0542 C8H7+ 1 103.0542 -0.17
+  105.0699 C8H9+ 1 105.0699 0.17
+  107.0492 C7H7O+ 1 107.0491 0.79
+  109.0648 C7H9O+ 1 109.0648 0.28
+  115.0542 C9H7+ 1 115.0542 -0.49
+  117.0699 C9H9+ 1 117.0699 0
+  118.0413 C8H6O+ 1 118.0413 -0.07
+  119.0491 C8H7O+ 1 119.0491 -0.46
+  121.0648 C8H9O+ 1 121.0648 0.01
+  125.0594 C7H9O2+ 1 125.0597 -2.17
+  128.062 C10H8+ 1 128.0621 -0.28
+  129.0699 C10H9+ 1 129.0699 0.15
+  131.0495 C9H7O+ 1 131.0491 2.58
+  133.0648 C9H9O+ 1 133.0648 0.25
+  134.0722 C9H10O+ 1 134.0726 -3
+  135.0442 C8H7O2+ 1 135.0441 0.74
+  135.0803 C9H11O+ 1 135.0804 -1.02
+  141.0698 C11H9+ 1 141.0699 -0.54
+  142.0777 C11H10+ 1 142.0777 0.03
+  143.0856 C11H11+ 1 143.0855 0.37
+  144.057 C10H8O+ 1 144.057 0.03
+  145.0648 C10H9O+ 1 145.0648 -0.26
+  146.0727 C10H10O+ 1 146.0726 0.91
+  147.0804 C10H11O+ 1 147.0804 -0.01
+  153.0699 C12H9+ 1 153.0699 0.42
+  154.0777 C12H10+ 1 154.0777 0.24
+  155.0855 C12H11+ 1 155.0855 -0.24
+  156.0571 C11H8O+ 1 156.057 0.72
+  157.0647 C11H9O+ 1 157.0648 -0.82
+  158.0726 C11H10O+ 1 158.0726 -0.4
+  159.0805 C11H11O+ 1 159.0804 0.2
+  161.0597 C10H9O2+ 1 161.0597 -0.28
+  161.0963 C11H13O+ 1 161.0961 1.56
+  165.0698 C13H9+ 1 165.0699 -0.22
+  166.0776 C13H10+ 1 166.0777 -0.66
+  167.0855 C13H11+ 1 167.0855 -0.36
+  169.1012 C13H13+ 1 169.1012 0.31
+  170.0726 C12H10O+ 1 170.0726 0.02
+  171.0804 C12H11O+ 1 171.0804 -0.4
+  172.0882 C12H12O+ 1 172.0883 -0.47
+  173.0599 C11H9O2+ 1 173.0597 1.28
+  173.0958 C12H13O+ 1 173.0961 -1.41
+  174.0671 C11H10O2+ 1 174.0675 -2.48
+  175.0753 C11H11O2+ 1 175.0754 -0.35
+  178.0778 C14H10+ 1 178.0777 0.38
+  179.0855 C14H11+ 1 179.0855 -0.29
+  180.0936 C14H12+ 1 180.0934 1.25
+  181.0646 C13H9O+ 1 181.0648 -0.97
+  182.0728 C13H10O+ 1 182.0726 0.9
+  183.0804 C13H11O+ 1 183.0804 -0.26
+  184.0881 C13H12O+ 1 184.0883 -0.66
+  186.104 C13H14O+ 1 186.1039 0.51
+  187.0754 C12H11O2+ 1 187.0754 0.07
+  187.112 C13H15O+ 1 187.1117 1.49
+  195.0804 C14H11O+ 1 195.0804 -0.32
+  197.0961 C14H13O+ 1 197.0961 -0.02
+  199.0753 C13H11O2+ 1 199.0754 -0.37
+  211.075 C14H11O2+ 1 211.0754 -1.45
+  213.0911 C14H13O2+ 1 213.091 0.45
+  214.0988 C14H14O2+ 1 214.0988 -0.24
+  227.0701 C14H11O3+ 1 227.0703 -0.82
+  241.086 C15H13O3+ 1 241.0859 0.33
+  242.0939 C15H14O3+ 1 242.0937 0.6
+PK$NUM_PEAK: 74
+PK$PEAK: m/z int. rel.int.
+  51.023 805902.7 19
+  65.0388 821011 19
+  67.018 16752352 397
+  67.0544 2617614.5 62
+  78.0464 720945.6 17
+  79.0542 4474468.5 106
+  81.0336 3621830.2 85
+  83.0492 1643199 38
+  91.0542 14710915 348
+  93.0699 6349707 150
+  95.0492 6562151 155
+  103.0542 2087676.5 49
+  105.0699 1970744.2 46
+  107.0492 1028550.8 24
+  109.0648 775345.8 18
+  115.0542 2325285.8 55
+  117.0699 683524.8 16
+  118.0413 861391.1 20
+  119.0491 475240.4 11
+  121.0648 42111856 999
+  125.0594 859892.7 20
+  128.062 3484206.2 82
+  129.0699 3790241.5 89
+  131.0495 866157.5 20
+  133.0648 6079038.5 144
+  134.0722 982710.6 23
+  135.0442 7404418 175
+  135.0803 1906834 45
+  141.0698 1930600.9 45
+  142.0777 1247947.2 29
+  143.0856 2571306.2 60
+  144.057 7257486.5 172
+  145.0648 6833231 162
+  146.0727 1083317.1 25
+  147.0804 2345216.8 55
+  153.0699 3369114.5 79
+  154.0777 1338379.6 31
+  155.0855 5236946.5 124
+  156.0571 625031.6 14
+  157.0647 2555028.8 60
+  158.0726 7639457.5 181
+  159.0805 6736590.5 159
+  161.0597 1427859.9 33
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+  165.0698 4192803.2 99
+  166.0776 1251256.1 29
+  167.0855 2118636.8 50
+  169.1012 597488.4 14
+  170.0726 973296.6 23
+  171.0804 10723121 254
+  172.0882 6805980.5 161
+  173.0599 932673.4 22
+  173.0958 1397608.1 33
+  174.0671 1191527.1 28
+  175.0753 1312328.4 31
+  178.0778 1368395.4 32
+  179.0855 3075448.8 72
+  180.0936 632572.6 15
+  181.0646 4482086 106
+  182.0728 1362016.9 32
+  183.0804 6266645 148
+  184.0881 468439.7 11
+  186.104 4536263 107
+  187.0754 1891999.9 44
+  187.112 483432.5 11
+  195.0804 1681738.5 39
+  197.0961 1876215.1 44
+  199.0753 10240323 242
+  211.075 1180947.5 28
+  213.0911 2173420 51
+  214.0988 1686592 40
+  227.0701 4741579 112
+  241.086 1286203 30
+  242.0939 1545897.8 36
+//
diff --git a/Eawag/MSBNK-MLU-ED252009.txt b/Eawag/MSBNK-MLU-ED252009.txt
new file mode 100644
index 0000000000..c43e0fdea4
--- /dev/null
+++ b/Eawag/MSBNK-MLU-ED252009.txt
@@ -0,0 +1,203 @@
+ACCESSION: MSBNK-MLU-ED252009
+RECORD_TITLE: Anhydrocyanobacterin; LC-ESI-QFT; MS2; CE: 80%; R=17500; [M+H]+
+DATE: 2024.02.23
+AUTHORS: E. Janssen [dtc], F. Schanbacher [dtc], T. Niedermeyer [dtc], A. Dax [com]
+LICENSE: CC BY-SA
+COPYRIGHT: Copyright (C) Eawag 2023
+COMMENT: CONFIDENCE 1
+COMMENT: CyanoMetDB_ID 2520
+CH$NAME: Anhydrocyanobacterin
+CH$NAME: 3-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-5-[(4-methoxyphenyl)methylidene]-4-propan-2-ylfuran-2-one
+CH$NAME: (Z)-3-((7-chlorobenzo[d][1,3]dioxol-5-yl)methyl)-4-isopropyl-5-(4-methoxybenzylidene)furan-2(5H)-one
+CH$COMPOUND_CLASS: Cyanobacterial metabolite
+CH$FORMULA: C23H21ClO5
+CH$EXACT_MASS: 412.1077515
+CH$SMILES: CC(C)C1=C(C(=O)OC1=CC2=CC=C(C=C2)OC)CC3=CC4=C(C(=C3)Cl)OCO4
+CH$IUPAC: InChI=1S/C23H21ClO5/c1-13(2)21-17(8-15-9-18(24)22-20(11-15)27-12-28-22)23(25)29-19(21)10-14-4-6-16(26-3)7-5-14/h4-7,9-11,13H,8,12H2,1-3H3
+CH$LINK: PUBCHEM CID:163000127
+CH$LINK: INCHIKEY GNRHIDBFAWGJDI-UHFFFAOYSA-N
+AC$INSTRUMENT: QExactive Plus
+AC$INSTRUMENT_TYPE: LC-ESI-QFT
+AC$MASS_SPECTROMETRY: MS_TYPE MS2
+AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
+AC$MASS_SPECTROMETRY: IONIZATION ESI
+AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
+AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 % (nominal)
+AC$MASS_SPECTROMETRY: RESOLUTION 17500
+AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 50-440
+AC$CHROMATOGRAPHY: COLUMN_NAME XBridge C18 3.5um, 2.1x50mm, Waters
+AC$CHROMATOGRAPHY: FLOW_GRADIENT 90/10 at 0 min, 50/50 at 4 min, 5/95 at 17 min, 5/95 at 25 min, 90/10 at 25.1 min, 90/10 at 29.5 min
+AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min
+AC$CHROMATOGRAPHY: RETENTION_TIME 8.008 min
+MS$FOCUSED_ION: BASE_PEAK 413.1151
+MS$FOCUSED_ION: PRECURSOR_M/Z 413.115
+MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
+MS$FOCUSED_ION: PRECURSOR_INTENSITY 371488868.55
+MS$DATA_PROCESSING: RECALIBRATE loess on assigned fragments and MS1
+MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included
+MS$DATA_PROCESSING: WHOLE RMassBank 3.11.2
+PK$SPLASH: splash10-00di-2900000000-1e85bb862949c10a262a
+PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm)
+  51.023 C4H3+ 1 51.0229 1.77
+  65.0388 C5H5+ 1 65.0386 3.38
+  67.018 C4H3O+ 1 67.0178 2.76
+  67.0543 C5H7+ 1 67.0542 1.83
+  69.0335 C4H5O+ 1 69.0335 -0.15
+  77.0386 C6H5+ 1 77.0386 0.03
+  78.0464 C6H6+ 1 78.0464 0.48
+  79.0543 C6H7+ 1 79.0542 0.36
+  81.0336 C5H5O+ 1 81.0335 0.81
+  81.0698 C6H9+ 1 81.0699 -0.52
+  83.0492 C5H7O+ 1 83.0491 1.26
+  91.0542 C7H7+ 1 91.0542 -0.04
+  93.0699 C7H9+ 1 93.0699 0.4
+  95.0491 C6H7O+ 1 95.0491 -0.06
+  103.0542 C8H7+ 1 103.0542 -0.46
+  105.0698 C8H9+ 1 105.0699 -0.41
+  107.0493 C7H7O+ 1 107.0491 1.36
+  109.065 C7H9O+ 1 109.0648 1.47
+  115.0543 C9H7+ 1 115.0542 0.3
+  116.0622 C9H8+ 1 116.0621 0.87
+  117.0699 C9H9+ 1 117.0699 0.46
+  118.0414 C8H6O+ 1 118.0413 1.1
+  119.0492 C8H7O+ 1 119.0491 0.63
+  120.0569 C8H8O+ 1 120.057 -0.16
+  121.0648 C8H9O+ 1 121.0648 0.07
+  128.0621 C10H8+ 1 128.0621 0.19
+  129.0699 C10H9+ 1 129.0699 0.15
+  131.0491 C9H7O+ 1 131.0491 -0.21
+  132.0572 C9H8O+ 1 132.057 2.05
+  133.0648 C9H9O+ 1 133.0648 -0.09
+  134.0726 C9H10O+ 1 134.0726 -0.16
+  135.0442 C8H7O2+ 1 135.0441 1.3
+  135.0803 C9H11O+ 1 135.0804 -0.68
+  141.0699 C11H9+ 1 141.0699 -0.1
+  142.0778 C11H10+ 1 142.0777 1
+  143.0492 C10H7O+ 1 143.0491 0.65
+  143.0855 C11H11+ 1 143.0855 0.16
+  144.0569 C10H8O+ 1 144.057 -0.18
+  145.0648 C10H9O+ 1 145.0648 0.37
+  147.0803 C10H11O+ 1 147.0804 -1.25
+  148.0518 C9H8O2+ 1 148.0519 -0.24
+  152.0617 C12H8+ 1 152.0621 -2.31
+  153.0699 C12H9+ 1 153.0699 -0.08
+  154.0776 C12H10+ 1 154.0777 -0.36
+  155.0854 C12H11+ 1 155.0855 -0.53
+  156.0567 C11H8O+ 1 156.057 -1.53
+  157.0647 C11H9O+ 1 157.0648 -0.53
+  158.0726 C11H10O+ 1 158.0726 -0.21
+  159.0805 C11H11O+ 1 159.0804 0.1
+  160.0884 C11H12O+ 1 160.0883 0.79
+  161.0594 C10H9O2+ 1 161.0597 -1.8
+  161.096 C11H13O+ 1 161.0961 -0.53
+  165.0699 C13H9+ 1 165.0699 -0.13
+  166.0777 C13H10+ 1 166.0777 -0.01
+  167.0855 C13H11+ 1 167.0855 -0.45
+  169.0645 C12H9O+ 1 169.0648 -1.71
+  170.0727 C12H10O+ 1 170.0726 0.29
+  171.0803 C12H11O+ 1 171.0804 -0.58
+  172.088 C12H12O+ 1 172.0883 -1.27
+  173.06 C11H9O2+ 1 173.0597 1.46
+  173.0963 C12H13O+ 1 173.0961 1.23
+  174.068 C11H10O2+ 1 174.0675 2.87
+  175.0752 C11H11O2+ 1 175.0754 -0.7
+  178.0774 C14H10+ 1 178.0777 -1.6
+  179.0853 C14H11+ 1 179.0855 -1.14
+  181.0645 C13H9O+ 1 181.0648 -1.56
+  182.0727 C13H10O+ 1 182.0726 0.23
+  183.0804 C13H11O+ 1 183.0804 -0.01
+  184.0516 C12H8O2+ 1 184.0519 -1.61
+  185.0961 C13H13O+ 1 185.0961 0.09
+  186.1037 C13H14O+ 1 186.1039 -1.38
+  195.0803 C14H11O+ 1 195.0804 -0.48
+  196.0884 C14H12O+ 1 196.0883 0.53
+  197.0962 C14H13O+ 1 197.0961 0.6
+  198.1042 C14H14O+ 1 198.1039 1.67
+  199.0753 C13H11O2+ 1 199.0754 -0.29
+  211.0754 C14H11O2+ 1 211.0754 0.14
+  213.0909 C14H13O2+ 1 213.091 -0.27
+  214.0992 C14H14O2+ 1 214.0988 1.54
+  227.0702 C14H11O3+ 1 227.0703 -0.22
+PK$NUM_PEAK: 80
+PK$PEAK: m/z int. rel.int.
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+  227.0702 1980130.6 56
+//